data_19436 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19436 _Entry.PDB_ID 2MCD 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 19436 _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 PRO HA H 2 4.442 4.442 5.382 -0.940 19436 2 1 1 . 1 1 2 2 PRO CA C 2 62.895 62.895 62.882 0.013 19436 3 1 1 . 1 1 2 2 PRO CB C 2 31.958 31.958 33.523 -1.565 19436 4 1 1 . 1 1 3 3 SER N N 3 117.584 117.584 116.652 0.932 19436 5 1 1 . 1 1 3 3 SER H H 3 8.434 8.434 9.333 -0.899 19436 6 1 1 . 1 1 4 4 PRO HA H 4 4.442 4.442 5.225 -0.783 19436 7 1 1 . 1 1 4 4 PRO C C 4 176.912 176.912 175.891 1.021 19436 8 1 1 . 1 1 4 4 PRO CA C 4 63.325 63.325 62.216 1.109 19436 9 1 1 . 1 1 4 4 PRO CB C 4 32.011 32.011 34.539 -2.528 19436 10 1 1 . 1 1 5 5 LEU N N 5 121.539 121.539 122.451 -0.912 19436 11 1 1 . 1 1 5 5 LEU HA H 5 4.344 4.344 4.710 -0.366 19436 12 1 1 . 1 1 5 5 LEU C C 5 177.549 177.549 174.797 2.752 19436 13 1 1 . 1 1 5 5 LEU CA C 5 55.395 55.395 54.670 0.725 19436 14 1 1 . 1 1 5 5 LEU CB C 5 42.317 42.317 44.166 -1.849 19436 15 1 1 . 1 1 5 5 LEU H H 5 8.281 8.281 9.370 -1.089 19436 16 1 1 . 1 1 6 6 SER N N 6 116.435 116.435 117.258 -0.823 19436 17 1 1 . 1 1 6 6 SER HA H 6 4.464 4.464 4.773 -0.309 19436 18 1 1 . 1 1 6 6 SER C C 6 174.630 174.630 172.097 2.533 19436 19 1 1 . 1 1 6 6 SER CA C 6 58.262 58.262 57.264 0.998 19436 20 1 1 . 1 1 6 6 SER CB C 6 63.883 63.883 65.680 -1.797 19436 21 1 1 . 1 1 6 6 SER H H 6 8.250 8.250 8.355 -0.105 19436 22 1 1 . 1 1 7 7 SER N N 7 117.774 117.774 116.579 1.195 19436 23 1 1 . 1 1 7 7 SER HA H 7 4.481 4.481 4.857 -0.376 19436 24 1 1 . 1 1 7 7 SER C C 7 174.630 174.630 172.520 2.110 19436 25 1 1 . 1 1 7 7 SER CA C 7 58.511 58.511 57.763 0.748 19436 26 1 1 . 1 1 7 7 SER CB C 7 63.827 63.827 65.151 -1.324 19436 27 1 1 . 1 1 7 7 SER H H 7 8.392 8.392 9.177 -0.785 19436 28 1 1 . 1 1 8 8 GLU N N 8 122.440 122.440 124.784 -2.344 19436 29 1 1 . 1 1 8 8 GLU HA H 8 4.332 4.332 4.427 -0.095 19436 30 1 1 . 1 1 8 8 GLU C C 8 176.591 176.591 174.148 2.443 19436 31 1 1 . 1 1 8 8 GLU CA C 8 56.846 56.846 56.273 0.573 19436 32 1 1 . 1 1 8 8 GLU CB C 8 30.125 30.125 30.926 -0.801 19436 33 1 1 . 1 1 8 8 GLU H H 8 8.458 8.458 8.393 0.065 19436 34 1 1 . 1 1 9 9 SER N N 9 116.179 116.179 117.564 -1.385 19436 35 1 1 . 1 1 9 9 SER HA H 9 4.449 4.449 4.577 -0.128 19436 36 1 1 . 1 1 9 9 SER C C 9 174.763 174.763 172.139 2.624 19436 37 1 1 . 1 1 9 9 SER CA C 9 58.455 58.455 57.430 1.025 19436 38 1 1 . 1 1 9 9 SER CB C 9 64.002 64.002 64.835 -0.833 19436 39 1 1 . 1 1 9 9 SER H H 9 8.280 8.280 7.992 0.288 19436 40 1 1 . 1 1 10 10 GLU N N 10 122.989 122.989 121.833 1.156 19436 41 1 1 . 1 1 10 10 GLU HA H 10 4.212 4.212 4.283 -0.071 19436 42 1 1 . 1 1 10 10 GLU C C 10 176.344 176.344 176.134 0.210 19436 43 1 1 . 1 1 10 10 GLU CA C 10 56.967 56.967 55.912 1.055 19436 44 1 1 . 1 1 10 10 GLU CB C 10 30.176 30.176 30.836 -0.660 19436 45 1 1 . 1 1 10 10 GLU H H 10 8.488 8.488 8.434 0.054 19436 46 1 1 . 1 1 29 29 ALA N N 29 126.204 126.204 122.843 3.361 19436 47 1 1 . 1 1 29 29 ALA HA H 29 4.487 4.487 4.832 -0.345 19436 48 1 1 . 1 1 29 29 ALA C C 29 176.100 176.100 176.438 -0.338 19436 49 1 1 . 1 1 29 29 ALA CA C 29 51.192 51.192 51.879 -0.687 19436 50 1 1 . 1 1 29 29 ALA CB C 29 20.176 20.176 20.892 -0.716 19436 51 1 1 . 1 1 29 29 ALA H H 29 8.570 8.570 8.328 0.242 19436 52 1 1 . 1 1 30 30 ALA N N 30 128.202 128.202 125.502 2.700 19436 53 1 1 . 1 1 30 30 ALA HA H 30 4.303 4.303 4.621 -0.318 19436 54 1 1 . 1 1 30 30 ALA C C 30 176.096 176.096 176.417 -0.321 19436 55 1 1 . 1 1 30 30 ALA CA C 30 51.956 51.956 52.233 -0.277 19436 56 1 1 . 1 1 30 30 ALA CB C 30 18.945 18.945 20.138 -1.193 19436 57 1 1 . 1 1 30 30 ALA H H 30 8.665 8.665 8.371 0.294 19436 58 1 1 . 1 1 31 31 LEU N N 31 120.119 120.119 124.883 -4.764 19436 59 1 1 . 1 1 31 31 LEU HA H 31 4.897 4.897 4.545 0.352 19436 60 1 1 . 1 1 31 31 LEU C C 31 178.865 178.865 177.380 1.485 19436 61 1 1 . 1 1 31 31 LEU CA C 31 52.051 52.051 55.012 -2.961 19436 62 1 1 . 1 1 31 31 LEU CB C 31 44.147 44.147 42.998 1.149 19436 63 1 1 . 1 1 31 31 LEU H H 31 8.034 8.034 8.523 -0.489 19436 64 1 1 . 1 1 32 32 HIS N N 32 122.302 122.302 123.813 -1.511 19436 65 1 1 . 1 1 32 32 HIS HA H 32 4.186 4.186 4.415 -0.229 19436 66 1 1 . 1 1 32 32 HIS C C 32 177.524 177.524 174.334 3.190 19436 67 1 1 . 1 1 32 32 HIS H H 32 8.573 8.573 8.522 0.051 19436 68 1 1 . 1 1 33 33 ALA HA H 33 4.411 4.411 4.388 0.023 19436 69 1 1 . 1 1 33 33 ALA CA C 33 53.433 53.433 50.272 3.162 19436 70 1 1 . 1 1 33 33 ALA CB C 33 20.342 20.342 18.732 1.610 19436 71 1 1 . 1 1 34 34 GLU HA H 34 4.684 4.684 4.674 0.010 19436 72 1 1 . 1 1 34 34 GLU CA C 34 54.841 54.841 56.156 -1.315 19436 73 1 1 . 1 1 34 34 GLU CB C 34 33.102 33.102 30.757 2.345 19436 74 1 1 . 1 1 35 35 GLY N N 35 108.193 108.193 108.749 -0.556 19436 75 1 1 . 1 1 35 35 GLY H H 35 8.661 8.661 8.684 -0.023 19436 76 1 1 . 1 1 36 36 PRO HA H 36 4.278 4.278 4.562 -0.284 19436 77 1 1 . 1 1 36 36 PRO C C 36 177.885 177.885 175.899 1.986 19436 78 1 1 . 1 1 36 36 PRO CA C 36 64.598 64.598 62.825 1.773 19436 79 1 1 . 1 1 36 36 PRO CB C 36 31.945 31.945 32.331 -0.386 19436 80 1 1 . 1 1 37 37 LEU N N 37 117.378 117.378 121.010 -3.632 19436 81 1 1 . 1 1 37 37 LEU HA H 37 4.256 4.256 4.679 -0.423 19436 82 1 1 . 1 1 37 37 LEU C C 37 174.928 174.928 176.366 -1.438 19436 83 1 1 . 1 1 37 37 LEU CA C 37 52.682 52.682 55.808 -3.126 19436 84 1 1 . 1 1 37 37 LEU CB C 37 40.999 40.999 44.065 -3.066 19436 85 1 1 . 1 1 37 37 LEU H H 37 8.557 8.557 8.198 0.359 19436 86 1 1 . 1 1 38 38 ALA N N 38 120.501 120.501 126.214 -5.713 19436 87 1 1 . 1 1 38 38 ALA HA H 38 3.476 3.476 4.401 -0.925 19436 88 1 1 . 1 1 38 38 ALA C C 38 178.760 178.760 177.646 1.114 19436 89 1 1 . 1 1 38 38 ALA CA C 38 53.756 53.756 51.830 1.927 19436 90 1 1 . 1 1 38 38 ALA CB C 38 17.949 17.949 19.107 -1.158 19436 91 1 1 . 1 1 38 38 ALA H H 38 7.202 7.202 8.325 -1.123 19436 92 1 1 . 1 1 39 39 GLY N N 39 108.963 108.963 110.321 -1.358 19436 93 1 1 . 1 1 39 39 GLY C C 39 173.272 173.272 174.310 -1.038 19436 94 1 1 . 1 1 39 39 GLY CA C 39 45.183 45.183 45.562 -0.379 19436 95 1 1 . 1 1 39 39 GLY H H 39 8.942 8.942 8.067 0.875 19436 96 1 1 . 1 1 40 40 LEU N N 40 120.080 120.080 121.716 -1.636 19436 97 1 1 . 1 1 40 40 LEU HA H 40 4.830 4.830 4.702 0.128 19436 98 1 1 . 1 1 40 40 LEU C C 40 174.422 174.422 175.354 -0.932 19436 99 1 1 . 1 1 40 40 LEU CB C 40 41.282 41.282 43.649 -2.367 19436 100 1 1 . 1 1 40 40 LEU H H 40 8.216 8.216 7.600 0.616 19436 101 1 1 . 1 1 41 41 PRO HA H 41 4.803 4.803 4.604 0.199 19436 102 1 1 . 1 1 41 41 PRO CA C 41 61.528 61.528 62.934 -1.405 19436 103 1 1 . 1 1 41 41 PRO CB C 41 31.384 31.384 32.518 -1.134 19436 104 1 1 . 1 1 42 42 VAL N N 42 121.846 121.846 119.037 2.809 19436 105 1 1 . 1 1 42 42 VAL HA H 42 3.510 3.510 3.624 -0.114 19436 106 1 1 . 1 1 42 42 VAL CA C 42 65.888 65.888 63.744 2.144 19436 107 1 1 . 1 1 42 42 VAL CB C 42 31.208 31.208 30.420 0.788 19436 108 1 1 . 1 1 42 42 VAL H H 42 7.784 7.784 9.034 -1.250 19436 109 1 1 . 1 1 43 43 THR N N 43 109.158 109.158 111.480 -2.322 19436 110 1 1 . 1 1 43 43 THR HA H 43 4.996 4.996 4.119 0.877 19436 111 1 1 . 1 1 43 43 THR CA C 43 59.964 59.964 64.417 -4.453 19436 112 1 1 . 1 1 43 43 THR CB C 43 12.133 12.133 68.845 -56.712 19436 113 1 1 . 1 1 43 43 THR H H 43 8.911 8.911 8.492 0.419 19436 114 1 1 . 1 1 44 44 ARG N N 44 120.175 120.175 116.936 3.239 19436 115 1 1 . 1 1 44 44 ARG HA H 44 3.936 3.936 4.381 -0.445 19436 116 1 1 . 1 1 44 44 ARG CA C 44 60.596 60.596 55.576 5.020 19436 117 1 1 . 1 1 44 44 ARG CB C 44 29.617 29.617 30.764 -1.147 19436 118 1 1 . 1 1 44 44 ARG H H 44 9.305 9.305 8.107 1.198 19436 119 1 1 . 1 1 45 45 SER N N 45 114.367 114.367 114.927 -0.560 19436 120 1 1 . 1 1 45 45 SER HA H 45 4.118 4.118 4.247 -0.129 19436 121 1 1 . 1 1 45 45 SER CA C 45 62.355 62.355 59.031 3.324 19436 122 1 1 . 1 1 45 45 SER CB C 45 62.355 62.355 62.844 -0.489 19436 123 1 1 . 1 1 45 45 SER H H 45 8.192 8.192 7.664 0.528 19436 124 1 1 . 1 1 46 46 ASP N N 46 120.511 120.511 118.667 1.844 19436 125 1 1 . 1 1 46 46 ASP HA H 46 4.396 4.396 4.353 0.043 19436 126 1 1 . 1 1 46 46 ASP C C 46 177.220 177.220 175.758 1.462 19436 127 1 1 . 1 1 46 46 ASP CA C 46 58.113 58.113 55.160 2.953 19436 128 1 1 . 1 1 46 46 ASP CB C 46 43.287 43.287 39.898 3.389 19436 129 1 1 . 1 1 46 46 ASP H H 46 7.354 7.354 8.035 -0.681 19436 130 1 1 . 1 1 47 47 ALA N N 47 120.606 120.606 119.875 0.731 19436 131 1 1 . 1 1 47 47 ALA HA H 47 3.736 3.736 4.064 -0.328 19436 132 1 1 . 1 1 47 47 ALA C C 47 178.603 178.603 177.463 1.140 19436 133 1 1 . 1 1 47 47 ALA CA C 47 54.879 54.879 52.777 2.102 19436 134 1 1 . 1 1 47 47 ALA CB C 47 19.739 19.739 17.789 1.950 19436 135 1 1 . 1 1 47 47 ALA H H 47 7.838 7.838 8.181 -0.343 19436 136 1 1 . 1 1 48 48 ARG N N 48 116.233 116.233 120.269 -4.036 19436 137 1 1 . 1 1 48 48 ARG HA H 48 3.796 3.796 4.200 -0.404 19436 138 1 1 . 1 1 48 48 ARG C C 48 177.903 177.903 176.453 1.450 19436 139 1 1 . 1 1 48 48 ARG CA C 48 61.517 61.517 58.578 2.939 19436 140 1 1 . 1 1 48 48 ARG CB C 48 30.351 30.351 30.829 -0.478 19436 141 1 1 . 1 1 48 48 ARG H H 48 8.060 8.060 7.938 0.122 19436 142 1 1 . 1 1 49 49 VAL N N 49 119.026 119.026 117.001 2.025 19436 143 1 1 . 1 1 49 49 VAL HA H 49 3.636 3.636 4.362 -0.726 19436 144 1 1 . 1 1 49 49 VAL C C 49 177.817 177.817 173.804 4.013 19436 145 1 1 . 1 1 49 49 VAL CA C 49 67.018 67.018 59.326 7.692 19436 146 1 1 . 1 1 49 49 VAL CB C 49 31.821 31.821 31.367 0.454 19436 147 1 1 . 1 1 49 49 VAL H H 49 7.413 7.413 7.616 -0.203 19436 148 1 1 . 1 1 50 50 LEU HA H 50 4.113 4.113 4.388 -0.275 19436 149 1 1 . 1 1 50 50 LEU C C 50 180.992 180.992 175.123 5.869 19436 150 1 1 . 1 1 50 50 LEU CA C 50 58.382 58.382 53.535 4.847 19436 151 1 1 . 1 1 50 50 LEU CB C 50 41.668 41.668 41.531 0.137 19436 152 1 1 . 1 1 51 51 ILE HA H 51 3.698 3.698 4.340 -0.642 19436 153 1 1 . 1 1 51 51 ILE C C 51 178.708 178.708 174.857 3.851 19436 154 1 1 . 1 1 51 51 ILE CA C 51 65.868 65.868 61.130 4.738 19436 155 1 1 . 1 1 51 51 ILE CB C 51 38.755 38.755 37.818 0.937 19436 156 1 1 . 1 1 52 52 PHE N N 52 123.370 123.370 123.091 0.279 19436 157 1 1 . 1 1 52 52 PHE HA H 52 4.174 4.174 4.725 -0.551 19436 158 1 1 . 1 1 52 52 PHE C C 52 176.998 176.998 174.674 2.324 19436 159 1 1 . 1 1 52 52 PHE CA C 52 62.566 62.566 57.735 4.831 19436 160 1 1 . 1 1 52 52 PHE CB C 52 39.295 39.295 41.404 -2.109 19436 161 1 1 . 1 1 52 52 PHE H H 52 8.748 8.748 8.616 0.132 19436 162 1 1 . 1 1 53 53 ASN N N 53 117.944 117.944 119.387 -1.443 19436 163 1 1 . 1 1 53 53 ASN HA H 53 4.478 4.478 4.970 -0.492 19436 164 1 1 . 1 1 53 53 ASN C C 53 178.706 178.706 174.961 3.745 19436 165 1 1 . 1 1 53 53 ASN CA C 53 56.027 56.027 53.128 2.899 19436 166 1 1 . 1 1 53 53 ASN CB C 53 37.883 37.883 39.593 -1.710 19436 167 1 1 . 1 1 53 53 ASN H H 53 8.990 8.990 8.742 0.248 19436 168 1 1 . 1 1 54 54 GLU N N 54 121.168 121.168 119.033 2.135 19436 169 1 1 . 1 1 54 54 GLU HA H 54 4.123 4.123 4.536 -0.413 19436 170 1 1 . 1 1 54 54 GLU C C 54 177.753 177.753 174.989 2.764 19436 171 1 1 . 1 1 54 54 GLU CA C 54 59.415 59.415 55.632 3.783 19436 172 1 1 . 1 1 54 54 GLU CB C 54 30.146 30.146 32.472 -2.326 19436 173 1 1 . 1 1 54 54 GLU H H 54 8.177 8.177 7.920 0.257 19436 174 1 1 . 1 1 55 55 TRP N N 55 122.549 122.549 121.480 1.069 19436 175 1 1 . 1 1 55 55 TRP HA H 55 4.018 4.018 4.693 -0.675 19436 176 1 1 . 1 1 55 55 TRP C C 55 176.647 176.647 175.204 1.443 19436 177 1 1 . 1 1 55 55 TRP CA C 55 61.743 61.743 58.067 3.676 19436 178 1 1 . 1 1 55 55 TRP CB C 55 27.960 27.960 30.613 -2.654 19436 179 1 1 . 1 1 55 55 TRP H H 55 8.160 8.160 8.422 -0.262 19436 180 1 1 . 1 1 56 56 GLU N N 56 117.397 117.397 120.643 -3.246 19436 181 1 1 . 1 1 56 56 GLU HA H 56 2.962 2.962 4.678 -1.716 19436 182 1 1 . 1 1 56 56 GLU C C 56 178.417 178.417 173.708 4.709 19436 183 1 1 . 1 1 56 56 GLU CA C 56 59.739 59.739 54.703 5.036 19436 184 1 1 . 1 1 56 56 GLU CB C 56 29.601 29.601 31.472 -1.871 19436 185 1 1 . 1 1 56 56 GLU H H 56 8.558 8.558 8.467 0.091 19436 186 1 1 . 1 1 57 57 GLU HA H 57 4.049 4.049 4.496 -0.447 19436 187 1 1 . 1 1 57 57 GLU C C 57 179.462 179.462 175.858 3.604 19436 188 1 1 . 1 1 57 57 GLU CA C 57 58.264 58.264 56.530 1.734 19436 189 1 1 . 1 1 57 57 GLU CB C 57 29.826 29.826 30.378 -0.552 19436 190 1 1 . 1 1 58 58 ARG N N 58 120.321 120.321 121.732 -1.411 19436 191 1 1 . 1 1 58 58 ARG HA H 58 3.922 3.922 4.096 -0.174 19436 192 1 1 . 1 1 58 58 ARG C C 58 178.832 178.832 174.457 4.375 19436 193 1 1 . 1 1 58 58 ARG CA C 58 58.846 58.846 55.519 3.327 19436 194 1 1 . 1 1 58 58 ARG H H 58 8.420 8.420 8.454 -0.034 19436 195 1 1 . 1 1 59 59 LYS N N 59 118.447 118.447 123.211 -4.764 19436 196 1 1 . 1 1 59 59 LYS HA H 59 3.681 3.681 4.812 -1.131 19436 197 1 1 . 1 1 59 59 LYS C C 59 176.846 176.846 174.695 2.151 19436 198 1 1 . 1 1 59 59 LYS CA C 59 57.540 57.540 56.530 1.010 19436 199 1 1 . 1 1 59 59 LYS CB C 59 30.572 30.572 34.163 -3.591 19436 200 1 1 . 1 1 59 59 LYS H H 59 8.436 8.436 8.345 0.091 19436 201 1 1 . 1 1 60 60 LYS N N 60 117.663 117.663 118.405 -0.742 19436 202 1 1 . 1 1 60 60 LYS HA H 60 3.817 3.817 4.916 -1.099 19436 203 1 1 . 1 1 60 60 LYS C C 60 177.762 177.762 175.238 2.524 19436 204 1 1 . 1 1 60 60 LYS CA C 60 59.207 59.207 54.595 4.612 19436 205 1 1 . 1 1 60 60 LYS CB C 60 32.269 32.269 34.460 -2.191 19436 206 1 1 . 1 1 60 60 LYS H H 60 6.904 6.904 8.376 -1.472 19436 207 1 1 . 1 1 61 61 SER N N 61 110.383 110.383 114.716 -4.333 19436 208 1 1 . 1 1 61 61 SER HA H 61 4.527 4.527 5.100 -0.573 19436 209 1 1 . 1 1 61 61 SER C C 61 174.006 174.006 173.210 0.796 19436 210 1 1 . 1 1 61 61 SER CA C 61 58.671 58.671 57.378 1.293 19436 211 1 1 . 1 1 61 61 SER CB C 61 64.444 64.444 65.259 -0.815 19436 212 1 1 . 1 1 61 61 SER H H 61 7.381 7.381 8.399 -1.018 19436 213 1 1 . 1 1 62 62 GLU N N 62 121.734 121.734 124.332 -2.598 19436 214 1 1 . 1 1 62 62 GLU HA H 62 3.681 3.681 4.658 -0.977 19436 215 1 1 . 1 1 62 62 GLU C C 62 172.751 172.751 174.816 -2.065 19436 216 1 1 . 1 1 62 62 GLU CA C 62 52.861 52.861 55.615 -2.754 19436 217 1 1 . 1 1 62 62 GLU CB C 62 30.206 30.206 30.614 -0.408 19436 218 1 1 . 1 1 62 62 GLU H H 62 7.625 7.625 9.374 -1.749 19436 219 1 1 . 1 1 63 63 PRO HA H 63 4.267 4.267 5.143 -0.876 19436 220 1 1 . 1 1 63 63 PRO C C 63 176.541 176.541 177.091 -0.550 19436 221 1 1 . 1 1 63 63 PRO CA C 63 64.621 64.621 61.047 3.574 19436 222 1 1 . 1 1 63 63 PRO CB C 63 31.452 31.452 35.508 -4.056 19436 223 1 1 . 1 1 64 64 TRP N N 64 115.298 115.298 120.922 -5.624 19436 224 1 1 . 1 1 64 64 TRP HA H 64 4.645 4.645 4.747 -0.102 19436 225 1 1 . 1 1 64 64 TRP C C 64 176.530 176.530 176.651 -0.121 19436 226 1 1 . 1 1 64 64 TRP CA C 64 56.604 56.604 57.834 -1.230 19436 227 1 1 . 1 1 64 64 TRP CB C 64 28.026 28.026 31.395 -3.369 19436 228 1 1 . 1 1 64 64 TRP H H 64 6.837 6.837 8.591 -1.754 19436 229 1 1 . 1 1 65 65 LEU N N 65 125.040 125.040 126.285 -1.245 19436 230 1 1 . 1 1 65 65 LEU HA H 65 4.149 4.149 4.410 -0.261 19436 231 1 1 . 1 1 65 65 LEU C C 65 177.528 177.528 175.499 2.029 19436 232 1 1 . 1 1 65 65 LEU CA C 65 56.277 56.277 55.508 0.769 19436 233 1 1 . 1 1 65 65 LEU CB C 65 43.152 43.152 42.808 0.344 19436 234 1 1 . 1 1 65 65 LEU H H 65 7.252 7.252 8.891 -1.639 19436 235 1 1 . 1 1 66 66 ARG N N 66 128.225 128.225 116.766 11.459 19436 236 1 1 . 1 1 66 66 ARG HA H 66 4.578 4.578 4.479 0.099 19436 237 1 1 . 1 1 66 66 ARG C C 66 175.757 175.757 175.776 -0.019 19436 238 1 1 . 1 1 66 66 ARG CA C 66 55.105 55.105 54.578 0.527 19436 239 1 1 . 1 1 66 66 ARG CB C 66 31.397 31.397 32.425 -1.028 19436 240 1 1 . 1 1 66 66 ARG H H 66 8.892 8.892 7.906 0.986 19436 241 1 1 . 1 1 67 67 LEU N N 67 127.896 127.896 120.970 6.926 19436 242 1 1 . 1 1 67 67 LEU HA H 67 3.560 3.560 4.083 -0.523 19436 243 1 1 . 1 1 67 67 LEU C C 67 175.383 175.383 175.905 -0.522 19436 244 1 1 . 1 1 67 67 LEU CA C 67 54.595 54.595 54.458 0.137 19436 245 1 1 . 1 1 67 67 LEU H H 67 8.328 8.328 8.368 -0.040 19436 246 1 1 . 1 1 68 68 ASP HA H 68 4.719 4.719 4.566 0.153 19436 247 1 1 . 1 1 68 68 ASP C C 68 174.373 174.373 175.716 -1.343 19436 248 1 1 . 1 1 68 68 ASP CA C 68 52.936 52.936 55.743 -2.807 19436 249 1 1 . 1 1 68 68 ASP CB C 68 41.363 41.363 40.852 0.511 19436 250 1 1 . 1 1 69 69 MET N N 69 122.596 122.596 116.697 5.899 19436 251 1 1 . 1 1 69 69 MET HA H 69 4.539 4.539 4.623 -0.084 19436 252 1 1 . 1 1 69 69 MET C C 69 174.798 174.798 175.350 -0.552 19436 253 1 1 . 1 1 69 69 MET CA C 69 53.657 53.657 53.741 -0.084 19436 254 1 1 . 1 1 69 69 MET CB C 69 33.356 33.356 31.625 1.731 19436 255 1 1 . 1 1 69 69 MET H H 69 8.777 8.777 7.979 0.798 19436 256 1 1 . 1 1 70 70 SER N N 70 116.028 116.028 114.544 1.484 19436 257 1 1 . 1 1 70 70 SER HA H 70 4.183 4.183 4.334 -0.151 19436 258 1 1 . 1 1 70 70 SER C C 70 173.995 173.995 175.807 -1.812 19436 259 1 1 . 1 1 70 70 SER CA C 70 58.683 58.683 59.404 -0.722 19436 260 1 1 . 1 1 70 70 SER CB C 70 64.826 64.826 62.800 2.026 19436 261 1 1 . 1 1 70 70 SER H H 70 8.179 8.179 7.656 0.523 19436 262 1 1 . 1 1 71 71 ASP N N 71 121.658 121.658 125.288 -3.630 19436 263 1 1 . 1 1 71 71 ASP HA H 71 3.788 3.788 4.236 -0.448 19436 264 1 1 . 1 1 71 71 ASP C C 71 176.757 176.757 175.428 1.329 19436 265 1 1 . 1 1 71 71 ASP CA C 71 57.426 57.426 54.058 3.368 19436 266 1 1 . 1 1 71 71 ASP H H 71 8.789 8.789 9.086 -0.297 19436 267 1 1 . 1 1 72 72 LYS N N 72 116.258 116.258 119.314 -3.056 19436 268 1 1 . 1 1 72 72 LYS HA H 72 3.751 3.751 4.844 -1.093 19436 269 1 1 . 1 1 72 72 LYS C C 72 178.882 178.882 174.621 4.261 19436 270 1 1 . 1 1 72 72 LYS CA C 72 59.891 59.891 53.178 6.713 19436 271 1 1 . 1 1 72 72 LYS CB C 72 32.195 32.195 32.921 -0.726 19436 272 1 1 . 1 1 72 72 LYS H H 72 7.876 7.876 8.098 -0.222 19436 273 1 1 . 1 1 73 73 ALA HA H 73 3.939 3.939 4.810 -0.871 19436 274 1 1 . 1 1 73 73 ALA C C 73 181.112 181.112 177.334 3.778 19436 275 1 1 . 1 1 73 73 ALA CA C 73 55.118 55.118 51.023 4.095 19436 276 1 1 . 1 1 73 73 ALA CB C 73 17.847 17.847 19.858 -2.011 19436 277 1 1 . 1 1 74 74 ILE N N 74 119.583 119.583 117.830 1.753 19436 278 1 1 . 1 1 74 74 ILE HA H 74 3.477 3.477 4.310 -0.833 19436 279 1 1 . 1 1 74 74 ILE C C 74 177.697 177.697 176.431 1.266 19436 280 1 1 . 1 1 74 74 ILE CA C 74 66.112 66.112 62.004 4.108 19436 281 1 1 . 1 1 74 74 ILE CB C 74 37.678 37.678 38.846 -1.168 19436 282 1 1 . 1 1 74 74 ILE H H 74 8.119 8.119 8.203 -0.084 19436 283 1 1 . 1 1 75 75 PHE N N 75 117.768 117.768 115.651 2.117 19436 284 1 1 . 1 1 75 75 PHE HA H 75 4.431 4.431 4.964 -0.533 19436 285 1 1 . 1 1 75 75 PHE C C 75 177.987 177.987 175.417 2.570 19436 286 1 1 . 1 1 75 75 PHE CA C 75 56.968 56.968 55.436 1.532 19436 287 1 1 . 1 1 75 75 PHE CB C 75 37.281 37.281 42.267 -4.986 19436 288 1 1 . 1 1 75 75 PHE H H 75 8.553 8.553 8.018 0.535 19436 289 1 1 . 1 1 76 76 ARG N N 76 117.370 117.370 120.808 -3.438 19436 290 1 1 . 1 1 76 76 ARG HA H 76 4.059 4.059 4.003 0.056 19436 291 1 1 . 1 1 76 76 ARG C C 76 177.520 177.520 178.468 -0.948 19436 292 1 1 . 1 1 76 76 ARG CA C 76 58.690 58.690 59.876 -1.186 19436 293 1 1 . 1 1 76 76 ARG CB C 76 30.417 30.417 29.907 0.510 19436 294 1 1 . 1 1 76 76 ARG H H 76 7.532 7.532 8.825 -1.293 19436 295 1 1 . 1 1 77 77 ARG N N 77 117.482 117.482 120.146 -2.664 19436 296 1 1 . 1 1 77 77 ARG HA H 77 3.967 3.967 4.056 -0.089 19436 297 1 1 . 1 1 77 77 ARG C C 77 176.168 176.168 178.034 -1.866 19436 298 1 1 . 1 1 77 77 ARG CA C 77 57.472 57.472 59.114 -1.642 19436 299 1 1 . 1 1 77 77 ARG CB C 77 31.746 31.746 29.727 2.019 19436 300 1 1 . 1 1 77 77 ARG H H 77 7.222 7.222 7.950 -0.728 19436 301 1 1 . 1 1 78 78 TYR N N 78 116.126 116.126 122.201 -6.075 19436 302 1 1 . 1 1 78 78 TYR HA H 78 5.333 5.333 4.257 1.076 19436 303 1 1 . 1 1 78 78 TYR C C 78 172.361 172.361 178.083 -5.722 19436 304 1 1 . 1 1 78 78 TYR CB C 78 38.546 38.546 38.026 0.520 19436 305 1 1 . 1 1 78 78 TYR H H 78 8.823 8.823 7.827 0.996 19436 306 1 1 . 1 1 79 79 PRO HA H 79 4.441 4.441 4.059 0.382 19436 307 1 1 . 1 1 79 79 PRO C C 79 178.491 178.491 179.323 -0.832 19436 308 1 1 . 1 1 79 79 PRO CA C 79 64.854 64.854 66.257 -1.403 19436 309 1 1 . 1 1 79 79 PRO CB C 79 31.694 31.694 31.046 0.648 19436 310 1 1 . 1 1 80 80 HIS N N 80 115.604 115.604 117.464 -1.860 19436 311 1 1 . 1 1 80 80 HIS HA H 80 4.549 4.549 4.307 0.242 19436 312 1 1 . 1 1 80 80 HIS C C 80 176.202 176.202 177.578 -1.376 19436 313 1 1 . 1 1 80 80 HIS CA C 80 58.597 58.597 58.923 -0.326 19436 314 1 1 . 1 1 80 80 HIS CB C 80 29.685 29.685 29.576 0.109 19436 315 1 1 . 1 1 80 80 HIS H H 80 8.274 8.274 8.045 0.229 19436 316 1 1 . 1 1 81 81 LEU N N 81 120.646 120.646 121.679 -1.033 19436 317 1 1 . 1 1 81 81 LEU HA H 81 4.228 4.228 4.025 0.203 19436 318 1 1 . 1 1 81 81 LEU C C 81 175.906 175.906 178.686 -2.780 19436 319 1 1 . 1 1 81 81 LEU CA C 81 54.105 54.105 59.711 -5.606 19436 320 1 1 . 1 1 81 81 LEU CB C 81 41.759 41.759 41.784 -0.025 19436 321 1 1 . 1 1 81 81 LEU H H 81 7.609 7.609 8.347 -0.738 19436 322 1 1 . 1 1 82 82 ARG N N 82 125.478 125.478 119.833 5.645 19436 323 1 1 . 1 1 82 82 ARG C C 82 180.927 180.927 178.612 2.315 19436 324 1 1 . 1 1 82 82 ARG H H 82 7.079 7.079 8.259 -1.180 19436 325 1 2 . 1 1 2 2 PRO HA H 2 4.442 4.442 5.289 -0.847 19436 326 1 2 . 1 1 2 2 PRO CA C 2 62.895 62.895 64.001 -1.107 19436 327 1 2 . 1 1 2 2 PRO CB C 2 31.958 31.958 34.113 -2.155 19436 328 1 2 . 1 1 3 3 SER N N 3 117.584 117.584 117.670 -0.086 19436 329 1 2 . 1 1 3 3 SER H H 3 8.434 8.434 8.472 -0.038 19436 330 1 2 . 1 1 4 4 PRO HA H 4 4.442 4.442 4.479 -0.037 19436 331 1 2 . 1 1 4 4 PRO C C 4 176.912 176.912 176.950 -0.038 19436 332 1 2 . 1 1 4 4 PRO CA C 4 63.325 63.325 62.765 0.560 19436 333 1 2 . 1 1 4 4 PRO CB C 4 32.011 32.011 32.489 -0.478 19436 334 1 2 . 1 1 5 5 LEU N N 5 121.539 121.539 118.782 2.757 19436 335 1 2 . 1 1 5 5 LEU HA H 5 4.344 4.344 4.458 -0.114 19436 336 1 2 . 1 1 5 5 LEU C C 5 177.549 177.549 175.120 2.429 19436 337 1 2 . 1 1 5 5 LEU CA C 5 55.395 55.395 54.277 1.118 19436 338 1 2 . 1 1 5 5 LEU CB C 5 42.317 42.317 42.530 -0.213 19436 339 1 2 . 1 1 5 5 LEU H H 5 8.281 8.281 8.005 0.276 19436 340 1 2 . 1 1 6 6 SER N N 6 116.435 116.435 117.252 -0.817 19436 341 1 2 . 1 1 6 6 SER HA H 6 4.464 4.464 4.707 -0.243 19436 342 1 2 . 1 1 6 6 SER C C 6 174.630 174.630 172.934 1.696 19436 343 1 2 . 1 1 6 6 SER CA C 6 58.262 58.262 58.158 0.104 19436 344 1 2 . 1 1 6 6 SER CB C 6 63.883 63.883 64.360 -0.477 19436 345 1 2 . 1 1 6 6 SER H H 6 8.250 8.250 7.542 0.708 19436 346 1 2 . 1 1 7 7 SER N N 7 117.774 117.774 116.782 0.992 19436 347 1 2 . 1 1 7 7 SER HA H 7 4.481 4.481 4.762 -0.281 19436 348 1 2 . 1 1 7 7 SER C C 7 174.630 174.630 173.018 1.612 19436 349 1 2 . 1 1 7 7 SER CA C 7 58.511 58.511 57.852 0.659 19436 350 1 2 . 1 1 7 7 SER CB C 7 63.827 63.827 65.612 -1.784 19436 351 1 2 . 1 1 7 7 SER H H 7 8.392 8.392 8.043 0.349 19436 352 1 2 . 1 1 8 8 GLU N N 8 122.440 122.440 121.140 1.300 19436 353 1 2 . 1 1 8 8 GLU HA H 8 4.332 4.332 4.526 -0.194 19436 354 1 2 . 1 1 8 8 GLU C C 8 176.591 176.591 174.665 1.926 19436 355 1 2 . 1 1 8 8 GLU CA C 8 56.846 56.846 55.811 1.035 19436 356 1 2 . 1 1 8 8 GLU CB C 8 30.125 30.125 32.125 -2.000 19436 357 1 2 . 1 1 8 8 GLU H H 8 8.458 8.458 9.082 -0.624 19436 358 1 2 . 1 1 9 9 SER N N 9 116.179 116.179 118.598 -2.419 19436 359 1 2 . 1 1 9 9 SER HA H 9 4.449 4.449 4.631 -0.182 19436 360 1 2 . 1 1 9 9 SER C C 9 174.763 174.763 172.247 2.516 19436 361 1 2 . 1 1 9 9 SER CA C 9 58.455 58.455 57.878 0.577 19436 362 1 2 . 1 1 9 9 SER CB C 9 64.002 64.002 64.873 -0.870 19436 363 1 2 . 1 1 9 9 SER H H 9 8.280 8.280 8.239 0.041 19436 364 1 2 . 1 1 10 10 GLU N N 10 122.989 122.989 121.570 1.419 19436 365 1 2 . 1 1 10 10 GLU HA H 10 4.212 4.212 4.181 0.031 19436 366 1 2 . 1 1 10 10 GLU C C 10 176.344 176.344 174.859 1.485 19436 367 1 2 . 1 1 10 10 GLU CA C 10 56.967 56.967 55.588 1.379 19436 368 1 2 . 1 1 10 10 GLU CB C 10 30.176 30.176 31.659 -1.483 19436 369 1 2 . 1 1 10 10 GLU H H 10 8.488 8.488 8.038 0.450 19436 370 1 2 . 1 1 29 29 ALA N N 29 126.204 126.204 123.736 2.468 19436 371 1 2 . 1 1 29 29 ALA HA H 29 4.487 4.487 4.548 -0.061 19436 372 1 2 . 1 1 29 29 ALA C C 29 176.100 176.100 175.751 0.349 19436 373 1 2 . 1 1 29 29 ALA CA C 29 51.192 51.192 51.642 -0.450 19436 374 1 2 . 1 1 29 29 ALA CB C 29 20.176 20.176 20.388 -0.212 19436 375 1 2 . 1 1 29 29 ALA H H 29 8.570 8.570 8.196 0.374 19436 376 1 2 . 1 1 30 30 ALA N N 30 128.202 128.202 127.900 0.302 19436 377 1 2 . 1 1 30 30 ALA HA H 30 4.303 4.303 5.057 -0.754 19436 378 1 2 . 1 1 30 30 ALA C C 30 176.096 176.096 175.727 0.369 19436 379 1 2 . 1 1 30 30 ALA CA C 30 51.956 51.956 51.422 0.534 19436 380 1 2 . 1 1 30 30 ALA CB C 30 18.945 18.945 21.531 -2.586 19436 381 1 2 . 1 1 30 30 ALA H H 30 8.665 8.665 8.358 0.307 19436 382 1 2 . 1 1 31 31 LEU N N 31 120.119 120.119 121.992 -1.873 19436 383 1 2 . 1 1 31 31 LEU HA H 31 4.897 4.897 4.875 0.022 19436 384 1 2 . 1 1 31 31 LEU C C 31 178.865 178.865 176.132 2.733 19436 385 1 2 . 1 1 31 31 LEU CA C 31 52.051 52.051 54.936 -2.885 19436 386 1 2 . 1 1 31 31 LEU CB C 31 44.147 44.147 43.931 0.216 19436 387 1 2 . 1 1 31 31 LEU H H 31 8.034 8.034 8.954 -0.920 19436 388 1 2 . 1 1 32 32 HIS N N 32 122.302 122.302 119.704 2.598 19436 389 1 2 . 1 1 32 32 HIS HA H 32 4.186 4.186 4.968 -0.782 19436 390 1 2 . 1 1 32 32 HIS C C 32 177.524 177.524 172.771 4.753 19436 391 1 2 . 1 1 32 32 HIS H H 32 8.573 8.573 7.996 0.577 19436 392 1 2 . 1 1 33 33 ALA HA H 33 4.411 4.411 4.507 -0.096 19436 393 1 2 . 1 1 33 33 ALA CA C 33 53.433 53.433 51.102 2.331 19436 394 1 2 . 1 1 33 33 ALA CB C 33 20.342 20.342 20.898 -0.556 19436 395 1 2 . 1 1 34 34 GLU HA H 34 4.684 4.684 4.451 0.233 19436 396 1 2 . 1 1 34 34 GLU CA C 34 54.841 54.841 56.512 -1.671 19436 397 1 2 . 1 1 34 34 GLU CB C 34 33.102 33.102 29.804 3.298 19436 398 1 2 . 1 1 35 35 GLY N N 35 108.193 108.193 112.262 -4.069 19436 399 1 2 . 1 1 35 35 GLY H H 35 8.661 8.661 8.408 0.253 19436 400 1 2 . 1 1 36 36 PRO HA H 36 4.278 4.278 4.484 -0.206 19436 401 1 2 . 1 1 36 36 PRO C C 36 177.885 177.885 176.182 1.703 19436 402 1 2 . 1 1 36 36 PRO CA C 36 64.598 64.598 63.346 1.252 19436 403 1 2 . 1 1 36 36 PRO CB C 36 31.945 31.945 32.407 -0.462 19436 404 1 2 . 1 1 37 37 LEU N N 37 117.378 117.378 123.721 -6.343 19436 405 1 2 . 1 1 37 37 LEU HA H 37 4.256 4.256 4.541 -0.285 19436 406 1 2 . 1 1 37 37 LEU C C 37 174.928 174.928 176.972 -2.044 19436 407 1 2 . 1 1 37 37 LEU CA C 37 52.682 52.682 55.170 -2.488 19436 408 1 2 . 1 1 37 37 LEU CB C 37 40.999 40.999 42.321 -1.322 19436 409 1 2 . 1 1 37 37 LEU H H 37 8.557 8.557 8.305 0.252 19436 410 1 2 . 1 1 38 38 ALA N N 38 120.501 120.501 124.055 -3.554 19436 411 1 2 . 1 1 38 38 ALA HA H 38 3.476 3.476 4.481 -1.005 19436 412 1 2 . 1 1 38 38 ALA C C 38 178.760 178.760 177.623 1.137 19436 413 1 2 . 1 1 38 38 ALA CA C 38 53.756 53.756 52.591 1.165 19436 414 1 2 . 1 1 38 38 ALA CB C 38 17.949 17.949 19.755 -1.806 19436 415 1 2 . 1 1 38 38 ALA H H 38 7.202 7.202 7.705 -0.503 19436 416 1 2 . 1 1 39 39 GLY N N 39 108.963 108.963 111.828 -2.865 19436 417 1 2 . 1 1 39 39 GLY C C 39 173.272 173.272 174.427 -1.155 19436 418 1 2 . 1 1 39 39 GLY CA C 39 45.183 45.183 45.206 -0.024 19436 419 1 2 . 1 1 39 39 GLY H H 39 8.942 8.942 8.417 0.525 19436 420 1 2 . 1 1 40 40 LEU N N 40 120.080 120.080 123.441 -3.361 19436 421 1 2 . 1 1 40 40 LEU HA H 40 4.830 4.830 4.315 0.515 19436 422 1 2 . 1 1 40 40 LEU C C 40 174.422 174.422 176.670 -2.248 19436 423 1 2 . 1 1 40 40 LEU CB C 40 41.282 41.282 42.404 -1.122 19436 424 1 2 . 1 1 40 40 LEU H H 40 8.216 8.216 7.955 0.261 19436 425 1 2 . 1 1 41 41 PRO HA H 41 4.803 4.803 4.538 0.265 19436 426 1 2 . 1 1 41 41 PRO CA C 41 61.528 61.528 62.819 -1.291 19436 427 1 2 . 1 1 41 41 PRO CB C 41 31.384 31.384 32.219 -0.835 19436 428 1 2 . 1 1 42 42 VAL N N 42 121.846 121.846 117.934 3.912 19436 429 1 2 . 1 1 42 42 VAL HA H 42 3.510 3.510 3.654 -0.144 19436 430 1 2 . 1 1 42 42 VAL CA C 42 65.888 65.888 64.432 1.456 19436 431 1 2 . 1 1 42 42 VAL CB C 42 31.208 31.208 30.283 0.925 19436 432 1 2 . 1 1 42 42 VAL H H 42 7.784 7.784 8.794 -1.010 19436 433 1 2 . 1 1 43 43 THR N N 43 109.158 109.158 113.864 -4.706 19436 434 1 2 . 1 1 43 43 THR HA H 43 4.996 4.996 4.112 0.884 19436 435 1 2 . 1 1 43 43 THR CA C 43 59.964 59.964 64.479 -4.515 19436 436 1 2 . 1 1 43 43 THR CB C 43 12.133 12.133 69.102 -56.969 19436 437 1 2 . 1 1 43 43 THR H H 43 8.911 8.911 7.880 1.031 19436 438 1 2 . 1 1 44 44 ARG N N 44 120.175 120.175 116.354 3.821 19436 439 1 2 . 1 1 44 44 ARG HA H 44 3.936 3.936 4.340 -0.404 19436 440 1 2 . 1 1 44 44 ARG CA C 44 60.596 60.596 56.028 4.568 19436 441 1 2 . 1 1 44 44 ARG CB C 44 29.617 29.617 30.482 -0.865 19436 442 1 2 . 1 1 44 44 ARG H H 44 9.305 9.305 8.546 0.759 19436 443 1 2 . 1 1 45 45 SER N N 45 114.367 114.367 117.372 -3.005 19436 444 1 2 . 1 1 45 45 SER HA H 45 4.118 4.118 4.411 -0.293 19436 445 1 2 . 1 1 45 45 SER CA C 45 62.355 62.355 57.382 4.973 19436 446 1 2 . 1 1 45 45 SER CB C 45 62.355 62.355 60.773 1.582 19436 447 1 2 . 1 1 45 45 SER H H 45 8.192 8.192 7.584 0.608 19436 448 1 2 . 1 1 46 46 ASP N N 46 120.511 120.511 126.356 -5.845 19436 449 1 2 . 1 1 46 46 ASP HA H 46 4.396 4.396 4.489 -0.093 19436 450 1 2 . 1 1 46 46 ASP C C 46 177.220 177.220 174.920 2.300 19436 451 1 2 . 1 1 46 46 ASP CA C 46 58.113 58.113 54.399 3.714 19436 452 1 2 . 1 1 46 46 ASP CB C 46 43.287 43.287 42.179 1.107 19436 453 1 2 . 1 1 46 46 ASP H H 46 7.354 7.354 8.627 -1.273 19436 454 1 2 . 1 1 47 47 ALA N N 47 120.606 120.606 119.803 0.803 19436 455 1 2 . 1 1 47 47 ALA HA H 47 3.736 3.736 4.422 -0.686 19436 456 1 2 . 1 1 47 47 ALA C C 47 178.603 178.603 176.187 2.416 19436 457 1 2 . 1 1 47 47 ALA CA C 47 54.879 54.879 51.600 3.279 19436 458 1 2 . 1 1 47 47 ALA CB C 47 19.739 19.739 21.130 -1.391 19436 459 1 2 . 1 1 47 47 ALA H H 47 7.838 7.838 7.419 0.419 19436 460 1 2 . 1 1 48 48 ARG N N 48 116.233 116.233 120.024 -3.791 19436 461 1 2 . 1 1 48 48 ARG HA H 48 3.796 3.796 4.581 -0.785 19436 462 1 2 . 1 1 48 48 ARG C C 48 177.903 177.903 175.401 2.502 19436 463 1 2 . 1 1 48 48 ARG CA C 48 61.517 61.517 57.428 4.089 19436 464 1 2 . 1 1 48 48 ARG CB C 48 30.351 30.351 32.157 -1.806 19436 465 1 2 . 1 1 48 48 ARG H H 48 8.060 8.060 8.310 -0.250 19436 466 1 2 . 1 1 49 49 VAL N N 49 119.026 119.026 118.838 0.188 19436 467 1 2 . 1 1 49 49 VAL HA H 49 3.636 3.636 4.499 -0.863 19436 468 1 2 . 1 1 49 49 VAL C C 49 177.817 177.817 174.313 3.504 19436 469 1 2 . 1 1 49 49 VAL CA C 49 67.018 67.018 59.396 7.622 19436 470 1 2 . 1 1 49 49 VAL CB C 49 31.821 31.821 31.450 0.371 19436 471 1 2 . 1 1 49 49 VAL H H 49 7.413 7.413 7.757 -0.344 19436 472 1 2 . 1 1 50 50 LEU HA H 50 4.113 4.113 4.562 -0.449 19436 473 1 2 . 1 1 50 50 LEU C C 50 180.992 180.992 174.998 5.994 19436 474 1 2 . 1 1 50 50 LEU CA C 50 58.382 58.382 54.107 4.275 19436 475 1 2 . 1 1 50 50 LEU CB C 50 41.668 41.668 41.752 -0.084 19436 476 1 2 . 1 1 51 51 ILE HA H 51 3.698 3.698 4.351 -0.653 19436 477 1 2 . 1 1 51 51 ILE C C 51 178.708 178.708 174.839 3.869 19436 478 1 2 . 1 1 51 51 ILE CA C 51 65.868 65.868 61.195 4.673 19436 479 1 2 . 1 1 51 51 ILE CB C 51 38.755 38.755 39.129 -0.374 19436 480 1 2 . 1 1 52 52 PHE N N 52 123.370 123.370 120.181 3.189 19436 481 1 2 . 1 1 52 52 PHE HA H 52 4.174 4.174 4.552 -0.378 19436 482 1 2 . 1 1 52 52 PHE C C 52 176.998 176.998 176.590 0.408 19436 483 1 2 . 1 1 52 52 PHE CA C 52 62.566 62.566 57.809 4.757 19436 484 1 2 . 1 1 52 52 PHE CB C 52 39.295 39.295 39.255 0.040 19436 485 1 2 . 1 1 52 52 PHE H H 52 8.748 8.748 8.381 0.367 19436 486 1 2 . 1 1 53 53 ASN N N 53 117.944 117.944 119.902 -1.958 19436 487 1 2 . 1 1 53 53 ASN HA H 53 4.478 4.478 4.480 -0.002 19436 488 1 2 . 1 1 53 53 ASN C C 53 178.706 178.706 176.195 2.511 19436 489 1 2 . 1 1 53 53 ASN CA C 53 56.027 56.027 55.726 0.301 19436 490 1 2 . 1 1 53 53 ASN CB C 53 37.883 37.883 38.119 -0.236 19436 491 1 2 . 1 1 53 53 ASN H H 53 8.990 8.990 8.363 0.627 19436 492 1 2 . 1 1 54 54 GLU N N 54 121.168 121.168 118.369 2.799 19436 493 1 2 . 1 1 54 54 GLU HA H 54 4.123 4.123 4.358 -0.235 19436 494 1 2 . 1 1 54 54 GLU C C 54 177.753 177.753 176.536 1.217 19436 495 1 2 . 1 1 54 54 GLU CA C 54 59.415 59.415 56.853 2.562 19436 496 1 2 . 1 1 54 54 GLU CB C 54 30.146 30.146 29.343 0.803 19436 497 1 2 . 1 1 54 54 GLU H H 54 8.177 8.177 8.380 -0.203 19436 498 1 2 . 1 1 55 55 TRP N N 55 122.549 122.549 121.319 1.230 19436 499 1 2 . 1 1 55 55 TRP HA H 55 4.018 4.018 4.856 -0.838 19436 500 1 2 . 1 1 55 55 TRP C C 55 176.647 176.647 175.585 1.062 19436 501 1 2 . 1 1 55 55 TRP CA C 55 61.743 61.743 57.518 4.225 19436 502 1 2 . 1 1 55 55 TRP CB C 55 27.960 27.960 28.357 -0.397 19436 503 1 2 . 1 1 55 55 TRP H H 55 8.160 8.160 7.431 0.729 19436 504 1 2 . 1 1 56 56 GLU N N 56 117.397 117.397 121.172 -3.775 19436 505 1 2 . 1 1 56 56 GLU HA H 56 2.962 2.962 4.708 -1.746 19436 506 1 2 . 1 1 56 56 GLU C C 56 178.417 178.417 175.148 3.269 19436 507 1 2 . 1 1 56 56 GLU CA C 56 59.739 59.739 54.913 4.826 19436 508 1 2 . 1 1 56 56 GLU CB C 56 29.601 29.601 30.553 -0.952 19436 509 1 2 . 1 1 56 56 GLU H H 56 8.558 8.558 7.855 0.703 19436 510 1 2 . 1 1 57 57 GLU HA H 57 4.049 4.049 4.433 -0.384 19436 511 1 2 . 1 1 57 57 GLU C C 57 179.462 179.462 176.978 2.484 19436 512 1 2 . 1 1 57 57 GLU CA C 57 58.264 58.264 56.561 1.703 19436 513 1 2 . 1 1 57 57 GLU CB C 57 29.826 29.826 30.436 -0.610 19436 514 1 2 . 1 1 58 58 ARG N N 58 120.321 120.321 119.860 0.461 19436 515 1 2 . 1 1 58 58 ARG HA H 58 3.922 3.922 4.120 -0.198 19436 516 1 2 . 1 1 58 58 ARG C C 58 178.832 178.832 176.142 2.690 19436 517 1 2 . 1 1 58 58 ARG CA C 58 58.846 58.846 56.486 2.360 19436 518 1 2 . 1 1 58 58 ARG H H 58 8.420 8.420 8.904 -0.484 19436 519 1 2 . 1 1 59 59 LYS N N 59 118.447 118.447 119.124 -0.677 19436 520 1 2 . 1 1 59 59 LYS HA H 59 3.681 3.681 5.226 -1.545 19436 521 1 2 . 1 1 59 59 LYS C C 59 176.846 176.846 176.107 0.739 19436 522 1 2 . 1 1 59 59 LYS CA C 59 57.540 57.540 55.971 1.569 19436 523 1 2 . 1 1 59 59 LYS CB C 59 30.572 30.572 34.701 -4.129 19436 524 1 2 . 1 1 59 59 LYS H H 59 8.436 8.436 8.775 -0.339 19436 525 1 2 . 1 1 60 60 LYS N N 60 117.663 117.663 119.133 -1.470 19436 526 1 2 . 1 1 60 60 LYS HA H 60 3.817 3.817 4.996 -1.179 19436 527 1 2 . 1 1 60 60 LYS C C 60 177.762 177.762 174.939 2.823 19436 528 1 2 . 1 1 60 60 LYS CA C 60 59.207 59.207 55.448 3.759 19436 529 1 2 . 1 1 60 60 LYS CB C 60 32.269 32.269 34.757 -2.488 19436 530 1 2 . 1 1 60 60 LYS H H 60 6.904 6.904 8.379 -1.475 19436 531 1 2 . 1 1 61 61 SER N N 61 110.383 110.383 114.904 -4.521 19436 532 1 2 . 1 1 61 61 SER HA H 61 4.527 4.527 5.118 -0.591 19436 533 1 2 . 1 1 61 61 SER C C 61 174.006 174.006 172.854 1.152 19436 534 1 2 . 1 1 61 61 SER CA C 61 58.671 58.671 57.404 1.267 19436 535 1 2 . 1 1 61 61 SER CB C 61 64.444 64.444 65.338 -0.894 19436 536 1 2 . 1 1 61 61 SER H H 61 7.381 7.381 8.488 -1.107 19436 537 1 2 . 1 1 62 62 GLU N N 62 121.734 121.734 122.405 -0.671 19436 538 1 2 . 1 1 62 62 GLU HA H 62 3.681 3.681 4.703 -1.022 19436 539 1 2 . 1 1 62 62 GLU C C 62 172.751 172.751 174.590 -1.839 19436 540 1 2 . 1 1 62 62 GLU CA C 62 52.861 52.861 55.514 -2.653 19436 541 1 2 . 1 1 62 62 GLU CB C 62 30.206 30.206 30.889 -0.683 19436 542 1 2 . 1 1 62 62 GLU H H 62 7.625 7.625 9.420 -1.795 19436 543 1 2 . 1 1 63 63 PRO HA H 63 4.267 4.267 5.065 -0.798 19436 544 1 2 . 1 1 63 63 PRO C C 63 176.541 176.541 176.917 -0.376 19436 545 1 2 . 1 1 63 63 PRO CA C 63 64.621 64.621 61.701 2.920 19436 546 1 2 . 1 1 63 63 PRO CB C 63 31.452 31.452 35.810 -4.358 19436 547 1 2 . 1 1 64 64 TRP N N 64 115.298 115.298 120.906 -5.608 19436 548 1 2 . 1 1 64 64 TRP HA H 64 4.645 4.645 4.792 -0.147 19436 549 1 2 . 1 1 64 64 TRP C C 64 176.530 176.530 176.414 0.116 19436 550 1 2 . 1 1 64 64 TRP CA C 64 56.604 56.604 57.753 -1.149 19436 551 1 2 . 1 1 64 64 TRP CB C 64 28.026 28.026 31.579 -3.554 19436 552 1 2 . 1 1 64 64 TRP H H 64 6.837 6.837 8.583 -1.746 19436 553 1 2 . 1 1 65 65 LEU N N 65 125.040 125.040 125.332 -0.292 19436 554 1 2 . 1 1 65 65 LEU HA H 65 4.149 4.149 4.488 -0.339 19436 555 1 2 . 1 1 65 65 LEU C C 65 177.528 177.528 175.324 2.204 19436 556 1 2 . 1 1 65 65 LEU CA C 65 56.277 56.277 55.092 1.185 19436 557 1 2 . 1 1 65 65 LEU CB C 65 43.152 43.152 42.943 0.209 19436 558 1 2 . 1 1 65 65 LEU H H 65 7.252 7.252 8.872 -1.620 19436 559 1 2 . 1 1 66 66 ARG N N 66 128.225 128.225 117.743 10.482 19436 560 1 2 . 1 1 66 66 ARG HA H 66 4.578 4.578 4.504 0.074 19436 561 1 2 . 1 1 66 66 ARG C C 66 175.757 175.757 175.835 -0.078 19436 562 1 2 . 1 1 66 66 ARG CA C 66 55.105 55.105 54.584 0.521 19436 563 1 2 . 1 1 66 66 ARG CB C 66 31.397 31.397 32.483 -1.086 19436 564 1 2 . 1 1 66 66 ARG H H 66 8.892 8.892 7.926 0.966 19436 565 1 2 . 1 1 67 67 LEU N N 67 127.896 127.896 121.390 6.506 19436 566 1 2 . 1 1 67 67 LEU HA H 67 3.560 3.560 4.069 -0.509 19436 567 1 2 . 1 1 67 67 LEU C C 67 175.383 175.383 175.945 -0.562 19436 568 1 2 . 1 1 67 67 LEU CA C 67 54.595 54.595 54.526 0.069 19436 569 1 2 . 1 1 67 67 LEU H H 67 8.328 8.328 8.396 -0.068 19436 570 1 2 . 1 1 68 68 ASP HA H 68 4.719 4.719 4.588 0.131 19436 571 1 2 . 1 1 68 68 ASP C C 68 174.373 174.373 175.899 -1.526 19436 572 1 2 . 1 1 68 68 ASP CA C 68 52.936 52.936 55.646 -2.710 19436 573 1 2 . 1 1 68 68 ASP CB C 68 41.363 41.363 40.811 0.552 19436 574 1 2 . 1 1 69 69 MET N N 69 122.596 122.596 116.972 5.624 19436 575 1 2 . 1 1 69 69 MET HA H 69 4.539 4.539 4.614 -0.075 19436 576 1 2 . 1 1 69 69 MET C C 69 174.798 174.798 175.448 -0.650 19436 577 1 2 . 1 1 69 69 MET CA C 69 53.657 53.657 54.096 -0.439 19436 578 1 2 . 1 1 69 69 MET CB C 69 33.356 33.356 32.024 1.332 19436 579 1 2 . 1 1 69 69 MET H H 69 8.777 8.777 7.938 0.839 19436 580 1 2 . 1 1 70 70 SER N N 70 116.028 116.028 114.915 1.113 19436 581 1 2 . 1 1 70 70 SER HA H 70 4.183 4.183 4.446 -0.263 19436 582 1 2 . 1 1 70 70 SER C C 70 173.995 173.995 175.456 -1.461 19436 583 1 2 . 1 1 70 70 SER CA C 70 58.683 58.683 59.328 -0.645 19436 584 1 2 . 1 1 70 70 SER CB C 70 64.826 64.826 62.606 2.220 19436 585 1 2 . 1 1 70 70 SER H H 70 8.179 8.179 7.628 0.551 19436 586 1 2 . 1 1 71 71 ASP N N 71 121.658 121.658 125.898 -4.240 19436 587 1 2 . 1 1 71 71 ASP HA H 71 3.788 3.788 4.393 -0.605 19436 588 1 2 . 1 1 71 71 ASP C C 71 176.757 176.757 175.471 1.286 19436 589 1 2 . 1 1 71 71 ASP CA C 71 57.426 57.426 54.080 3.346 19436 590 1 2 . 1 1 71 71 ASP H H 71 8.789 8.789 9.034 -0.245 19436 591 1 2 . 1 1 72 72 LYS N N 72 116.258 116.258 120.021 -3.763 19436 592 1 2 . 1 1 72 72 LYS HA H 72 3.751 3.751 4.884 -1.133 19436 593 1 2 . 1 1 72 72 LYS C C 72 178.882 178.882 174.684 4.198 19436 594 1 2 . 1 1 72 72 LYS CA C 72 59.891 59.891 53.349 6.543 19436 595 1 2 . 1 1 72 72 LYS CB C 72 32.195 32.195 33.725 -1.530 19436 596 1 2 . 1 1 72 72 LYS H H 72 7.876 7.876 7.955 -0.079 19436 597 1 2 . 1 1 73 73 ALA HA H 73 3.939 3.939 4.619 -0.680 19436 598 1 2 . 1 1 73 73 ALA C C 73 181.112 181.112 177.704 3.408 19436 599 1 2 . 1 1 73 73 ALA CA C 73 55.118 55.118 51.613 3.505 19436 600 1 2 . 1 1 73 73 ALA CB C 73 17.847 17.847 19.586 -1.739 19436 601 1 2 . 1 1 74 74 ILE N N 74 119.583 119.583 116.462 3.121 19436 602 1 2 . 1 1 74 74 ILE HA H 74 3.477 3.477 4.454 -0.977 19436 603 1 2 . 1 1 74 74 ILE C C 74 177.697 177.697 176.407 1.290 19436 604 1 2 . 1 1 74 74 ILE CA C 74 66.112 66.112 61.447 4.665 19436 605 1 2 . 1 1 74 74 ILE CB C 74 37.678 37.678 39.164 -1.486 19436 606 1 2 . 1 1 74 74 ILE H H 74 8.119 8.119 8.522 -0.403 19436 607 1 2 . 1 1 75 75 PHE N N 75 117.768 117.768 116.132 1.636 19436 608 1 2 . 1 1 75 75 PHE HA H 75 4.431 4.431 4.874 -0.443 19436 609 1 2 . 1 1 75 75 PHE C C 75 177.987 177.987 175.401 2.586 19436 610 1 2 . 1 1 75 75 PHE CA C 75 56.968 56.968 55.472 1.496 19436 611 1 2 . 1 1 75 75 PHE CB C 75 37.281 37.281 42.267 -4.986 19436 612 1 2 . 1 1 75 75 PHE H H 75 8.553 8.553 7.980 0.573 19436 613 1 2 . 1 1 76 76 ARG N N 76 117.370 117.370 121.522 -4.152 19436 614 1 2 . 1 1 76 76 ARG HA H 76 4.059 4.059 4.010 0.049 19436 615 1 2 . 1 1 76 76 ARG C C 76 177.520 177.520 178.229 -0.709 19436 616 1 2 . 1 1 76 76 ARG CA C 76 58.690 58.690 59.968 -1.278 19436 617 1 2 . 1 1 76 76 ARG CB C 76 30.417 30.417 30.016 0.401 19436 618 1 2 . 1 1 76 76 ARG H H 76 7.532 7.532 8.891 -1.359 19436 619 1 2 . 1 1 77 77 ARG N N 77 117.482 117.482 119.420 -1.938 19436 620 1 2 . 1 1 77 77 ARG HA H 77 3.967 3.967 4.011 -0.044 19436 621 1 2 . 1 1 77 77 ARG C C 77 176.168 176.168 178.307 -2.139 19436 622 1 2 . 1 1 77 77 ARG CA C 77 57.472 57.472 59.397 -1.925 19436 623 1 2 . 1 1 77 77 ARG CB C 77 31.746 31.746 29.713 2.033 19436 624 1 2 . 1 1 77 77 ARG H H 77 7.222 7.222 8.326 -1.104 19436 625 1 2 . 1 1 78 78 TYR N N 78 116.126 116.126 122.404 -6.278 19436 626 1 2 . 1 1 78 78 TYR HA H 78 5.333 5.333 4.244 1.089 19436 627 1 2 . 1 1 78 78 TYR C C 78 172.361 172.361 178.046 -5.685 19436 628 1 2 . 1 1 78 78 TYR CB C 78 38.546 38.546 37.946 0.600 19436 629 1 2 . 1 1 78 78 TYR H H 78 8.823 8.823 7.834 0.989 19436 630 1 2 . 1 1 79 79 PRO HA H 79 4.441 4.441 3.884 0.557 19436 631 1 2 . 1 1 79 79 PRO C C 79 178.491 178.491 179.395 -0.904 19436 632 1 2 . 1 1 79 79 PRO CA C 79 64.854 64.854 66.170 -1.316 19436 633 1 2 . 1 1 79 79 PRO CB C 79 31.694 31.694 31.018 0.676 19436 634 1 2 . 1 1 80 80 HIS N N 80 115.604 115.604 117.294 -1.690 19436 635 1 2 . 1 1 80 80 HIS HA H 80 4.549 4.549 4.263 0.286 19436 636 1 2 . 1 1 80 80 HIS C C 80 176.202 176.202 177.595 -1.393 19436 637 1 2 . 1 1 80 80 HIS CA C 80 58.597 58.597 59.465 -0.868 19436 638 1 2 . 1 1 80 80 HIS CB C 80 29.685 29.685 29.881 -0.196 19436 639 1 2 . 1 1 80 80 HIS H H 80 8.274 8.274 8.209 0.065 19436 640 1 2 . 1 1 81 81 LEU N N 81 120.646 120.646 121.708 -1.062 19436 641 1 2 . 1 1 81 81 LEU HA H 81 4.228 4.228 3.999 0.229 19436 642 1 2 . 1 1 81 81 LEU C C 81 175.906 175.906 178.564 -2.658 19436 643 1 2 . 1 1 81 81 LEU CA C 81 54.105 54.105 59.756 -5.651 19436 644 1 2 . 1 1 81 81 LEU CB C 81 41.759 41.759 41.957 -0.198 19436 645 1 2 . 1 1 81 81 LEU H H 81 7.609 7.609 8.182 -0.573 19436 646 1 2 . 1 1 82 82 ARG N N 82 125.478 125.478 119.637 5.841 19436 647 1 2 . 1 1 82 82 ARG C C 82 180.927 180.927 178.622 2.305 19436 648 1 2 . 1 1 82 82 ARG H H 82 7.079 7.079 8.389 -1.310 19436 649 1 3 . 1 1 2 2 PRO HA H 2 4.442 4.442 4.804 -0.362 19436 650 1 3 . 1 1 2 2 PRO CA C 2 62.895 62.895 62.724 0.171 19436 651 1 3 . 1 1 2 2 PRO CB C 2 31.958 31.958 32.780 -0.822 19436 652 1 3 . 1 1 3 3 SER N N 3 117.584 117.584 116.361 1.223 19436 653 1 3 . 1 1 3 3 SER H H 3 8.434 8.434 8.700 -0.266 19436 654 1 3 . 1 1 4 4 PRO HA H 4 4.442 4.442 4.484 -0.042 19436 655 1 3 . 1 1 4 4 PRO C C 4 176.912 176.912 175.883 1.029 19436 656 1 3 . 1 1 4 4 PRO CA C 4 63.325 63.325 63.670 -0.346 19436 657 1 3 . 1 1 4 4 PRO CB C 4 32.011 32.011 31.725 0.286 19436 658 1 3 . 1 1 5 5 LEU N N 5 121.539 121.539 125.218 -3.679 19436 659 1 3 . 1 1 5 5 LEU HA H 5 4.344 4.344 4.454 -0.110 19436 660 1 3 . 1 1 5 5 LEU C C 5 177.549 177.549 175.966 1.583 19436 661 1 3 . 1 1 5 5 LEU CA C 5 55.395 55.395 53.820 1.575 19436 662 1 3 . 1 1 5 5 LEU CB C 5 42.317 42.317 43.140 -0.823 19436 663 1 3 . 1 1 5 5 LEU H H 5 8.281 8.281 8.602 -0.321 19436 664 1 3 . 1 1 6 6 SER N N 6 116.435 116.435 117.594 -1.159 19436 665 1 3 . 1 1 6 6 SER HA H 6 4.464 4.464 4.560 -0.096 19436 666 1 3 . 1 1 6 6 SER C C 6 174.630 174.630 174.041 0.589 19436 667 1 3 . 1 1 6 6 SER CA C 6 58.262 58.262 57.709 0.553 19436 668 1 3 . 1 1 6 6 SER CB C 6 63.883 63.883 62.154 1.729 19436 669 1 3 . 1 1 6 6 SER H H 6 8.250 8.250 8.806 -0.556 19436 670 1 3 . 1 1 7 7 SER N N 7 117.774 117.774 119.676 -1.902 19436 671 1 3 . 1 1 7 7 SER HA H 7 4.481 4.481 4.472 0.009 19436 672 1 3 . 1 1 7 7 SER C C 7 174.630 174.630 173.984 0.646 19436 673 1 3 . 1 1 7 7 SER CA C 7 58.511 58.511 59.085 -0.574 19436 674 1 3 . 1 1 7 7 SER CB C 7 63.827 63.827 63.812 0.015 19436 675 1 3 . 1 1 7 7 SER H H 7 8.392 8.392 8.373 0.019 19436 676 1 3 . 1 1 8 8 GLU N N 8 122.440 122.440 120.773 1.667 19436 677 1 3 . 1 1 8 8 GLU HA H 8 4.332 4.332 4.439 -0.107 19436 678 1 3 . 1 1 8 8 GLU C C 8 176.591 176.591 174.784 1.807 19436 679 1 3 . 1 1 8 8 GLU CA C 8 56.846 56.846 55.027 1.819 19436 680 1 3 . 1 1 8 8 GLU CB C 8 30.125 30.125 30.661 -0.536 19436 681 1 3 . 1 1 8 8 GLU H H 8 8.458 8.458 8.356 0.102 19436 682 1 3 . 1 1 9 9 SER N N 9 116.179 116.179 113.912 2.267 19436 683 1 3 . 1 1 9 9 SER HA H 9 4.449 4.449 4.498 -0.049 19436 684 1 3 . 1 1 9 9 SER C C 9 174.763 174.763 173.353 1.410 19436 685 1 3 . 1 1 9 9 SER CA C 9 58.455 58.455 58.245 0.211 19436 686 1 3 . 1 1 9 9 SER CB C 9 64.002 64.002 64.261 -0.259 19436 687 1 3 . 1 1 9 9 SER H H 9 8.280 8.280 9.085 -0.805 19436 688 1 3 . 1 1 10 10 GLU N N 10 122.989 122.989 122.356 0.633 19436 689 1 3 . 1 1 10 10 GLU HA H 10 4.212 4.212 4.460 -0.248 19436 690 1 3 . 1 1 10 10 GLU C C 10 176.344 176.344 175.863 0.481 19436 691 1 3 . 1 1 10 10 GLU CA C 10 56.967 56.967 55.992 0.975 19436 692 1 3 . 1 1 10 10 GLU CB C 10 30.176 30.176 29.751 0.425 19436 693 1 3 . 1 1 10 10 GLU H H 10 8.488 8.488 8.963 -0.475 19436 694 1 3 . 1 1 29 29 ALA N N 29 126.204 126.204 123.174 3.030 19436 695 1 3 . 1 1 29 29 ALA HA H 29 4.487 4.487 4.651 -0.164 19436 696 1 3 . 1 1 29 29 ALA C C 29 176.100 176.100 175.549 0.551 19436 697 1 3 . 1 1 29 29 ALA CA C 29 51.192 51.192 51.565 -0.373 19436 698 1 3 . 1 1 29 29 ALA CB C 29 20.176 20.176 21.356 -1.180 19436 699 1 3 . 1 1 29 29 ALA H H 29 8.570 8.570 8.221 0.349 19436 700 1 3 . 1 1 30 30 ALA N N 30 128.202 128.202 127.660 0.542 19436 701 1 3 . 1 1 30 30 ALA HA H 30 4.303 4.303 5.016 -0.713 19436 702 1 3 . 1 1 30 30 ALA C C 30 176.096 176.096 175.443 0.653 19436 703 1 3 . 1 1 30 30 ALA CA C 30 51.956 51.956 51.629 0.327 19436 704 1 3 . 1 1 30 30 ALA CB C 30 18.945 18.945 19.838 -0.893 19436 705 1 3 . 1 1 30 30 ALA H H 30 8.665 8.665 8.422 0.243 19436 706 1 3 . 1 1 31 31 LEU N N 31 120.119 120.119 124.507 -4.388 19436 707 1 3 . 1 1 31 31 LEU HA H 31 4.897 4.897 5.060 -0.163 19436 708 1 3 . 1 1 31 31 LEU C C 31 178.865 178.865 175.874 2.991 19436 709 1 3 . 1 1 31 31 LEU CA C 31 52.051 52.051 55.169 -3.118 19436 710 1 3 . 1 1 31 31 LEU CB C 31 44.147 44.147 44.092 0.055 19436 711 1 3 . 1 1 31 31 LEU H H 31 8.034 8.034 8.890 -0.856 19436 712 1 3 . 1 1 32 32 HIS N N 32 122.302 122.302 120.624 1.678 19436 713 1 3 . 1 1 32 32 HIS HA H 32 4.186 4.186 4.265 -0.079 19436 714 1 3 . 1 1 32 32 HIS C C 32 177.524 177.524 172.926 4.598 19436 715 1 3 . 1 1 32 32 HIS H H 32 8.573 8.573 7.143 1.430 19436 716 1 3 . 1 1 33 33 ALA HA H 33 4.411 4.411 4.150 0.261 19436 717 1 3 . 1 1 33 33 ALA CA C 33 53.433 53.433 51.852 1.581 19436 718 1 3 . 1 1 33 33 ALA CB C 33 20.342 20.342 17.585 2.757 19436 719 1 3 . 1 1 34 34 GLU HA H 34 4.684 4.684 4.385 0.299 19436 720 1 3 . 1 1 34 34 GLU CA C 34 54.841 54.841 55.858 -1.017 19436 721 1 3 . 1 1 34 34 GLU CB C 34 33.102 33.102 30.339 2.763 19436 722 1 3 . 1 1 35 35 GLY N N 35 108.193 108.193 107.627 0.566 19436 723 1 3 . 1 1 35 35 GLY H H 35 8.661 8.661 8.445 0.216 19436 724 1 3 . 1 1 36 36 PRO HA H 36 4.278 4.278 4.698 -0.420 19436 725 1 3 . 1 1 36 36 PRO C C 36 177.885 177.885 175.627 2.258 19436 726 1 3 . 1 1 36 36 PRO CA C 36 64.598 64.598 62.953 1.645 19436 727 1 3 . 1 1 36 36 PRO CB C 36 31.945 31.945 32.841 -0.896 19436 728 1 3 . 1 1 37 37 LEU N N 37 117.378 117.378 122.830 -5.452 19436 729 1 3 . 1 1 37 37 LEU HA H 37 4.256 4.256 4.812 -0.556 19436 730 1 3 . 1 1 37 37 LEU C C 37 174.928 174.928 175.162 -0.234 19436 731 1 3 . 1 1 37 37 LEU CA C 37 52.682 52.682 54.601 -1.919 19436 732 1 3 . 1 1 37 37 LEU CB C 37 40.999 40.999 44.320 -3.321 19436 733 1 3 . 1 1 37 37 LEU H H 37 8.557 8.557 8.880 -0.323 19436 734 1 3 . 1 1 38 38 ALA N N 38 120.501 120.501 125.979 -5.478 19436 735 1 3 . 1 1 38 38 ALA HA H 38 3.476 3.476 4.895 -1.419 19436 736 1 3 . 1 1 38 38 ALA C C 38 178.760 178.760 175.940 2.820 19436 737 1 3 . 1 1 38 38 ALA CA C 38 53.756 53.756 51.501 2.255 19436 738 1 3 . 1 1 38 38 ALA CB C 38 17.949 17.949 21.271 -3.322 19436 739 1 3 . 1 1 38 38 ALA H H 38 7.202 7.202 8.581 -1.379 19436 740 1 3 . 1 1 39 39 GLY N N 39 108.963 108.963 109.771 -0.808 19436 741 1 3 . 1 1 39 39 GLY C C 39 173.272 173.272 173.523 -0.251 19436 742 1 3 . 1 1 39 39 GLY CA C 39 45.183 45.183 45.099 0.084 19436 743 1 3 . 1 1 39 39 GLY H H 39 8.942 8.942 8.856 0.086 19436 744 1 3 . 1 1 40 40 LEU N N 40 120.080 120.080 121.237 -1.157 19436 745 1 3 . 1 1 40 40 LEU HA H 40 4.830 4.830 4.681 0.149 19436 746 1 3 . 1 1 40 40 LEU C C 40 174.422 174.422 175.049 -0.627 19436 747 1 3 . 1 1 40 40 LEU CB C 40 41.282 41.282 43.639 -2.357 19436 748 1 3 . 1 1 40 40 LEU H H 40 8.216 8.216 7.907 0.309 19436 749 1 3 . 1 1 41 41 PRO HA H 41 4.803 4.803 4.336 0.467 19436 750 1 3 . 1 1 41 41 PRO CA C 41 61.528 61.528 63.096 -1.568 19436 751 1 3 . 1 1 41 41 PRO CB C 41 31.384 31.384 32.475 -1.091 19436 752 1 3 . 1 1 42 42 VAL N N 42 121.846 121.846 120.698 1.148 19436 753 1 3 . 1 1 42 42 VAL HA H 42 3.510 3.510 3.931 -0.421 19436 754 1 3 . 1 1 42 42 VAL CA C 42 65.888 65.888 62.767 3.121 19436 755 1 3 . 1 1 42 42 VAL CB C 42 31.208 31.208 31.755 -0.547 19436 756 1 3 . 1 1 42 42 VAL H H 42 7.784 7.784 8.324 -0.540 19436 757 1 3 . 1 1 43 43 THR N N 43 109.158 109.158 112.440 -3.282 19436 758 1 3 . 1 1 43 43 THR HA H 43 4.996 4.996 4.189 0.807 19436 759 1 3 . 1 1 43 43 THR CA C 43 59.964 59.964 63.387 -3.423 19436 760 1 3 . 1 1 43 43 THR CB C 43 12.133 12.133 69.187 -57.054 19436 761 1 3 . 1 1 43 43 THR H H 43 8.911 8.911 8.289 0.622 19436 762 1 3 . 1 1 44 44 ARG N N 44 120.175 120.175 117.781 2.394 19436 763 1 3 . 1 1 44 44 ARG HA H 44 3.936 3.936 4.421 -0.485 19436 764 1 3 . 1 1 44 44 ARG CA C 44 60.596 60.596 56.021 4.575 19436 765 1 3 . 1 1 44 44 ARG CB C 44 29.617 29.617 30.829 -1.212 19436 766 1 3 . 1 1 44 44 ARG H H 44 9.305 9.305 8.204 1.101 19436 767 1 3 . 1 1 45 45 SER N N 45 114.367 114.367 118.449 -4.082 19436 768 1 3 . 1 1 45 45 SER HA H 45 4.118 4.118 4.427 -0.309 19436 769 1 3 . 1 1 45 45 SER CA C 45 62.355 62.355 58.537 3.818 19436 770 1 3 . 1 1 45 45 SER CB C 45 62.355 62.355 62.482 -0.127 19436 771 1 3 . 1 1 45 45 SER H H 45 8.192 8.192 8.025 0.167 19436 772 1 3 . 1 1 46 46 ASP N N 46 120.511 120.511 128.566 -8.055 19436 773 1 3 . 1 1 46 46 ASP HA H 46 4.396 4.396 4.745 -0.349 19436 774 1 3 . 1 1 46 46 ASP C C 46 177.220 177.220 175.052 2.168 19436 775 1 3 . 1 1 46 46 ASP CA C 46 58.113 58.113 53.974 4.139 19436 776 1 3 . 1 1 46 46 ASP CB C 46 43.287 43.287 42.412 0.875 19436 777 1 3 . 1 1 46 46 ASP H H 46 7.354 7.354 8.530 -1.176 19436 778 1 3 . 1 1 47 47 ALA N N 47 120.606 120.606 127.987 -7.381 19436 779 1 3 . 1 1 47 47 ALA HA H 47 3.736 3.736 4.455 -0.719 19436 780 1 3 . 1 1 47 47 ALA C C 47 178.603 178.603 177.545 1.058 19436 781 1 3 . 1 1 47 47 ALA CA C 47 54.879 54.879 51.899 2.980 19436 782 1 3 . 1 1 47 47 ALA CB C 47 19.739 19.739 20.106 -0.367 19436 783 1 3 . 1 1 47 47 ALA H H 47 7.838 7.838 8.809 -0.971 19436 784 1 3 . 1 1 48 48 ARG N N 48 116.233 116.233 119.062 -2.829 19436 785 1 3 . 1 1 48 48 ARG HA H 48 3.796 3.796 4.236 -0.440 19436 786 1 3 . 1 1 48 48 ARG C C 48 177.903 177.903 176.339 1.564 19436 787 1 3 . 1 1 48 48 ARG CA C 48 61.517 61.517 57.664 3.853 19436 788 1 3 . 1 1 48 48 ARG CB C 48 30.351 30.351 30.882 -0.531 19436 789 1 3 . 1 1 48 48 ARG H H 48 8.060 8.060 8.167 -0.107 19436 790 1 3 . 1 1 49 49 VAL N N 49 119.026 119.026 120.231 -1.205 19436 791 1 3 . 1 1 49 49 VAL HA H 49 3.636 3.636 4.460 -0.824 19436 792 1 3 . 1 1 49 49 VAL C C 49 177.817 177.817 174.123 3.694 19436 793 1 3 . 1 1 49 49 VAL CA C 49 67.018 67.018 58.758 8.260 19436 794 1 3 . 1 1 49 49 VAL CB C 49 31.821 31.821 33.107 -1.286 19436 795 1 3 . 1 1 49 49 VAL H H 49 7.413 7.413 7.472 -0.059 19436 796 1 3 . 1 1 50 50 LEU HA H 50 4.113 4.113 4.658 -0.545 19436 797 1 3 . 1 1 50 50 LEU C C 50 180.992 180.992 175.609 5.383 19436 798 1 3 . 1 1 50 50 LEU CA C 50 58.382 58.382 53.114 5.268 19436 799 1 3 . 1 1 50 50 LEU CB C 50 41.668 41.668 41.599 0.069 19436 800 1 3 . 1 1 51 51 ILE HA H 51 3.698 3.698 4.295 -0.597 19436 801 1 3 . 1 1 51 51 ILE C C 51 178.708 178.708 175.405 3.303 19436 802 1 3 . 1 1 51 51 ILE CA C 51 65.868 65.868 61.521 4.347 19436 803 1 3 . 1 1 51 51 ILE CB C 51 38.755 38.755 38.445 0.310 19436 804 1 3 . 1 1 52 52 PHE N N 52 123.370 123.370 118.642 4.728 19436 805 1 3 . 1 1 52 52 PHE HA H 52 4.174 4.174 4.381 -0.207 19436 806 1 3 . 1 1 52 52 PHE C C 52 176.998 176.998 176.035 0.963 19436 807 1 3 . 1 1 52 52 PHE CA C 52 62.566 62.566 58.768 3.798 19436 808 1 3 . 1 1 52 52 PHE CB C 52 39.295 39.295 39.048 0.247 19436 809 1 3 . 1 1 52 52 PHE H H 52 8.748 8.748 8.395 0.353 19436 810 1 3 . 1 1 53 53 ASN N N 53 117.944 117.944 116.000 1.944 19436 811 1 3 . 1 1 53 53 ASN HA H 53 4.478 4.478 4.839 -0.361 19436 812 1 3 . 1 1 53 53 ASN C C 53 178.706 178.706 174.647 4.059 19436 813 1 3 . 1 1 53 53 ASN CA C 53 56.027 56.027 52.600 3.427 19436 814 1 3 . 1 1 53 53 ASN CB C 53 37.883 37.883 40.064 -2.181 19436 815 1 3 . 1 1 53 53 ASN H H 53 8.990 8.990 7.862 1.128 19436 816 1 3 . 1 1 54 54 GLU N N 54 121.168 121.168 123.372 -2.204 19436 817 1 3 . 1 1 54 54 GLU HA H 54 4.123 4.123 4.220 -0.097 19436 818 1 3 . 1 1 54 54 GLU C C 54 177.753 177.753 177.416 0.337 19436 819 1 3 . 1 1 54 54 GLU CA C 54 59.415 59.415 57.315 2.100 19436 820 1 3 . 1 1 54 54 GLU CB C 54 30.146 30.146 29.473 0.673 19436 821 1 3 . 1 1 54 54 GLU H H 54 8.177 8.177 8.772 -0.595 19436 822 1 3 . 1 1 55 55 TRP N N 55 122.549 122.549 119.469 3.080 19436 823 1 3 . 1 1 55 55 TRP HA H 55 4.018 4.018 4.381 -0.363 19436 824 1 3 . 1 1 55 55 TRP C C 55 176.647 176.647 175.525 1.122 19436 825 1 3 . 1 1 55 55 TRP CA C 55 61.743 61.743 58.416 3.326 19436 826 1 3 . 1 1 55 55 TRP CB C 55 27.960 27.960 28.260 -0.300 19436 827 1 3 . 1 1 55 55 TRP H H 55 8.160 8.160 8.023 0.137 19436 828 1 3 . 1 1 56 56 GLU N N 56 117.397 117.397 118.483 -1.086 19436 829 1 3 . 1 1 56 56 GLU HA H 56 2.962 2.962 4.559 -1.597 19436 830 1 3 . 1 1 56 56 GLU C C 56 178.417 178.417 175.159 3.258 19436 831 1 3 . 1 1 56 56 GLU CA C 56 59.739 59.739 54.532 5.207 19436 832 1 3 . 1 1 56 56 GLU CB C 56 29.601 29.601 30.488 -0.887 19436 833 1 3 . 1 1 56 56 GLU H H 56 8.558 8.558 8.216 0.342 19436 834 1 3 . 1 1 57 57 GLU HA H 57 4.049 4.049 4.394 -0.345 19436 835 1 3 . 1 1 57 57 GLU C C 57 179.462 179.462 176.457 3.005 19436 836 1 3 . 1 1 57 57 GLU CA C 57 58.264 58.264 56.705 1.560 19436 837 1 3 . 1 1 57 57 GLU CB C 57 29.826 29.826 29.998 -0.172 19436 838 1 3 . 1 1 58 58 ARG N N 58 120.321 120.321 120.662 -0.341 19436 839 1 3 . 1 1 58 58 ARG HA H 58 3.922 3.922 4.076 -0.154 19436 840 1 3 . 1 1 58 58 ARG C C 58 178.832 178.832 175.395 3.437 19436 841 1 3 . 1 1 58 58 ARG CA C 58 58.846 58.846 55.695 3.151 19436 842 1 3 . 1 1 58 58 ARG H H 58 8.420 8.420 8.243 0.177 19436 843 1 3 . 1 1 59 59 LYS N N 59 118.447 118.447 118.838 -0.391 19436 844 1 3 . 1 1 59 59 LYS HA H 59 3.681 3.681 4.809 -1.128 19436 845 1 3 . 1 1 59 59 LYS C C 59 176.846 176.846 175.187 1.659 19436 846 1 3 . 1 1 59 59 LYS CA C 59 57.540 57.540 55.819 1.721 19436 847 1 3 . 1 1 59 59 LYS CB C 59 30.572 30.572 34.916 -4.344 19436 848 1 3 . 1 1 59 59 LYS H H 59 8.436 8.436 7.814 0.622 19436 849 1 3 . 1 1 60 60 LYS N N 60 117.663 117.663 118.453 -0.790 19436 850 1 3 . 1 1 60 60 LYS HA H 60 3.817 3.817 4.785 -0.968 19436 851 1 3 . 1 1 60 60 LYS C C 60 177.762 177.762 175.653 2.109 19436 852 1 3 . 1 1 60 60 LYS CA C 60 59.207 59.207 55.344 3.863 19436 853 1 3 . 1 1 60 60 LYS CB C 60 32.269 32.269 33.572 -1.303 19436 854 1 3 . 1 1 60 60 LYS H H 60 6.904 6.904 8.276 -1.372 19436 855 1 3 . 1 1 61 61 SER N N 61 110.383 110.383 114.821 -4.438 19436 856 1 3 . 1 1 61 61 SER HA H 61 4.527 4.527 5.051 -0.524 19436 857 1 3 . 1 1 61 61 SER C C 61 174.006 174.006 173.404 0.602 19436 858 1 3 . 1 1 61 61 SER CA C 61 58.671 58.671 57.115 1.556 19436 859 1 3 . 1 1 61 61 SER CB C 61 64.444 64.444 64.824 -0.380 19436 860 1 3 . 1 1 61 61 SER H H 61 7.381 7.381 8.406 -1.025 19436 861 1 3 . 1 1 62 62 GLU N N 62 121.734 121.734 124.876 -3.142 19436 862 1 3 . 1 1 62 62 GLU HA H 62 3.681 3.681 4.661 -0.980 19436 863 1 3 . 1 1 62 62 GLU C C 62 172.751 172.751 174.789 -2.038 19436 864 1 3 . 1 1 62 62 GLU CA C 62 52.861 52.861 55.551 -2.691 19436 865 1 3 . 1 1 62 62 GLU CB C 62 30.206 30.206 30.655 -0.449 19436 866 1 3 . 1 1 62 62 GLU H H 62 7.625 7.625 9.406 -1.781 19436 867 1 3 . 1 1 63 63 PRO HA H 63 4.267 4.267 5.121 -0.854 19436 868 1 3 . 1 1 63 63 PRO C C 63 176.541 176.541 177.089 -0.548 19436 869 1 3 . 1 1 63 63 PRO CA C 63 64.621 64.621 61.032 3.590 19436 870 1 3 . 1 1 63 63 PRO CB C 63 31.452 31.452 35.486 -4.034 19436 871 1 3 . 1 1 64 64 TRP N N 64 115.298 115.298 120.903 -5.605 19436 872 1 3 . 1 1 64 64 TRP HA H 64 4.645 4.645 4.735 -0.090 19436 873 1 3 . 1 1 64 64 TRP C C 64 176.530 176.530 176.650 -0.120 19436 874 1 3 . 1 1 64 64 TRP CA C 64 56.604 56.604 57.892 -1.288 19436 875 1 3 . 1 1 64 64 TRP CB C 64 28.026 28.026 31.348 -3.322 19436 876 1 3 . 1 1 64 64 TRP H H 64 6.837 6.837 8.575 -1.738 19436 877 1 3 . 1 1 65 65 LEU N N 65 125.040 125.040 126.502 -1.462 19436 878 1 3 . 1 1 65 65 LEU HA H 65 4.149 4.149 4.377 -0.228 19436 879 1 3 . 1 1 65 65 LEU C C 65 177.528 177.528 176.116 1.412 19436 880 1 3 . 1 1 65 65 LEU CA C 65 56.277 56.277 55.892 0.384 19436 881 1 3 . 1 1 65 65 LEU CB C 65 43.152 43.152 42.781 0.371 19436 882 1 3 . 1 1 65 65 LEU H H 65 7.252 7.252 8.827 -1.575 19436 883 1 3 . 1 1 66 66 ARG N N 66 128.225 128.225 116.573 11.652 19436 884 1 3 . 1 1 66 66 ARG HA H 66 4.578 4.578 4.504 0.074 19436 885 1 3 . 1 1 66 66 ARG C C 66 175.757 175.757 176.081 -0.324 19436 886 1 3 . 1 1 66 66 ARG CA C 66 55.105 55.105 55.023 0.082 19436 887 1 3 . 1 1 66 66 ARG CB C 66 31.397 31.397 33.153 -1.756 19436 888 1 3 . 1 1 66 66 ARG H H 66 8.892 8.892 7.838 1.054 19436 889 1 3 . 1 1 67 67 LEU N N 67 127.896 127.896 121.747 6.149 19436 890 1 3 . 1 1 67 67 LEU HA H 67 3.560 3.560 4.099 -0.539 19436 891 1 3 . 1 1 67 67 LEU C C 67 175.383 175.383 175.907 -0.524 19436 892 1 3 . 1 1 67 67 LEU CA C 67 54.595 54.595 54.583 0.012 19436 893 1 3 . 1 1 67 67 LEU H H 67 8.328 8.328 8.283 0.045 19436 894 1 3 . 1 1 68 68 ASP HA H 68 4.719 4.719 4.566 0.153 19436 895 1 3 . 1 1 68 68 ASP C C 68 174.373 174.373 175.723 -1.350 19436 896 1 3 . 1 1 68 68 ASP CA C 68 52.936 52.936 55.751 -2.814 19436 897 1 3 . 1 1 68 68 ASP CB C 68 41.363 41.363 40.850 0.513 19436 898 1 3 . 1 1 69 69 MET N N 69 122.596 122.596 116.678 5.918 19436 899 1 3 . 1 1 69 69 MET HA H 69 4.539 4.539 4.621 -0.082 19436 900 1 3 . 1 1 69 69 MET C C 69 174.798 174.798 175.350 -0.552 19436 901 1 3 . 1 1 69 69 MET CA C 69 53.657 53.657 53.767 -0.110 19436 902 1 3 . 1 1 69 69 MET CB C 69 33.356 33.356 31.659 1.697 19436 903 1 3 . 1 1 69 69 MET H H 69 8.777 8.777 7.983 0.794 19436 904 1 3 . 1 1 70 70 SER N N 70 116.028 116.028 114.518 1.510 19436 905 1 3 . 1 1 70 70 SER HA H 70 4.183 4.183 4.336 -0.153 19436 906 1 3 . 1 1 70 70 SER C C 70 173.995 173.995 175.796 -1.801 19436 907 1 3 . 1 1 70 70 SER CA C 70 58.683 58.683 59.406 -0.723 19436 908 1 3 . 1 1 70 70 SER CB C 70 64.826 64.826 62.812 2.014 19436 909 1 3 . 1 1 70 70 SER H H 70 8.179 8.179 7.671 0.508 19436 910 1 3 . 1 1 71 71 ASP N N 71 121.658 121.658 123.920 -2.262 19436 911 1 3 . 1 1 71 71 ASP HA H 71 3.788 3.788 4.237 -0.449 19436 912 1 3 . 1 1 71 71 ASP C C 71 176.757 176.757 175.665 1.092 19436 913 1 3 . 1 1 71 71 ASP CA C 71 57.426 57.426 54.062 3.364 19436 914 1 3 . 1 1 71 71 ASP H H 71 8.789 8.789 9.023 -0.234 19436 915 1 3 . 1 1 72 72 LYS N N 72 116.258 116.258 120.172 -3.914 19436 916 1 3 . 1 1 72 72 LYS HA H 72 3.751 3.751 4.853 -1.102 19436 917 1 3 . 1 1 72 72 LYS C C 72 178.882 178.882 174.517 4.365 19436 918 1 3 . 1 1 72 72 LYS CA C 72 59.891 59.891 52.926 6.965 19436 919 1 3 . 1 1 72 72 LYS CB C 72 32.195 32.195 32.831 -0.636 19436 920 1 3 . 1 1 72 72 LYS H H 72 7.876 7.876 8.050 -0.174 19436 921 1 3 . 1 1 73 73 ALA HA H 73 3.939 3.939 4.783 -0.844 19436 922 1 3 . 1 1 73 73 ALA C C 73 181.112 181.112 177.265 3.847 19436 923 1 3 . 1 1 73 73 ALA CA C 73 55.118 55.118 51.008 4.110 19436 924 1 3 . 1 1 73 73 ALA CB C 73 17.847 17.847 19.857 -2.010 19436 925 1 3 . 1 1 74 74 ILE N N 74 119.583 119.583 118.141 1.442 19436 926 1 3 . 1 1 74 74 ILE HA H 74 3.477 3.477 4.285 -0.808 19436 927 1 3 . 1 1 74 74 ILE C C 74 177.697 177.697 176.463 1.234 19436 928 1 3 . 1 1 74 74 ILE CA C 74 66.112 66.112 62.218 3.894 19436 929 1 3 . 1 1 74 74 ILE CB C 74 37.678 37.678 38.775 -1.097 19436 930 1 3 . 1 1 74 74 ILE H H 74 8.119 8.119 8.180 -0.061 19436 931 1 3 . 1 1 75 75 PHE N N 75 117.768 117.768 115.277 2.491 19436 932 1 3 . 1 1 75 75 PHE HA H 75 4.431 4.431 4.800 -0.369 19436 933 1 3 . 1 1 75 75 PHE C C 75 177.987 177.987 175.888 2.099 19436 934 1 3 . 1 1 75 75 PHE CA C 75 56.968 56.968 55.055 1.913 19436 935 1 3 . 1 1 75 75 PHE CB C 75 37.281 37.281 42.315 -5.034 19436 936 1 3 . 1 1 75 75 PHE H H 75 8.553 8.553 8.158 0.395 19436 937 1 3 . 1 1 76 76 ARG N N 76 117.370 117.370 121.907 -4.537 19436 938 1 3 . 1 1 76 76 ARG HA H 76 4.059 4.059 4.051 0.008 19436 939 1 3 . 1 1 76 76 ARG C C 76 177.520 177.520 177.978 -0.458 19436 940 1 3 . 1 1 76 76 ARG CA C 76 58.690 58.690 60.179 -1.489 19436 941 1 3 . 1 1 76 76 ARG CB C 76 30.417 30.417 30.136 0.281 19436 942 1 3 . 1 1 76 76 ARG H H 76 7.532 7.532 8.778 -1.246 19436 943 1 3 . 1 1 77 77 ARG N N 77 117.482 117.482 119.665 -2.183 19436 944 1 3 . 1 1 77 77 ARG HA H 77 3.967 3.967 4.004 -0.037 19436 945 1 3 . 1 1 77 77 ARG C C 77 176.168 176.168 178.261 -2.093 19436 946 1 3 . 1 1 77 77 ARG CA C 77 57.472 57.472 59.495 -2.023 19436 947 1 3 . 1 1 77 77 ARG CB C 77 31.746 31.746 29.709 2.037 19436 948 1 3 . 1 1 77 77 ARG H H 77 7.222 7.222 8.367 -1.145 19436 949 1 3 . 1 1 78 78 TYR N N 78 116.126 116.126 122.381 -6.255 19436 950 1 3 . 1 1 78 78 TYR HA H 78 5.333 5.333 4.292 1.041 19436 951 1 3 . 1 1 78 78 TYR C C 78 172.361 172.361 177.998 -5.637 19436 952 1 3 . 1 1 78 78 TYR CB C 78 38.546 38.546 38.010 0.537 19436 953 1 3 . 1 1 78 78 TYR H H 78 8.823 8.823 7.755 1.068 19436 954 1 3 . 1 1 79 79 PRO HA H 79 4.441 4.441 4.014 0.427 19436 955 1 3 . 1 1 79 79 PRO C C 79 178.491 178.491 179.443 -0.952 19436 956 1 3 . 1 1 79 79 PRO CA C 79 64.854 64.854 66.138 -1.284 19436 957 1 3 . 1 1 79 79 PRO CB C 79 31.694 31.694 31.174 0.520 19436 958 1 3 . 1 1 80 80 HIS N N 80 115.604 115.604 117.850 -2.246 19436 959 1 3 . 1 1 80 80 HIS HA H 80 4.549 4.549 4.272 0.277 19436 960 1 3 . 1 1 80 80 HIS C C 80 176.202 176.202 177.558 -1.356 19436 961 1 3 . 1 1 80 80 HIS CA C 80 58.597 58.597 58.601 -0.004 19436 962 1 3 . 1 1 80 80 HIS CB C 80 29.685 29.685 29.246 0.439 19436 963 1 3 . 1 1 80 80 HIS H H 80 8.274 8.274 8.343 -0.069 19436 964 1 3 . 1 1 81 81 LEU N N 81 120.646 120.646 121.654 -1.008 19436 965 1 3 . 1 1 81 81 LEU HA H 81 4.228 4.228 3.990 0.238 19436 966 1 3 . 1 1 81 81 LEU C C 81 175.906 175.906 178.671 -2.765 19436 967 1 3 . 1 1 81 81 LEU CA C 81 54.105 54.105 59.819 -5.714 19436 968 1 3 . 1 1 81 81 LEU CB C 81 41.759 41.759 41.863 -0.104 19436 969 1 3 . 1 1 81 81 LEU H H 81 7.609 7.609 8.220 -0.611 19436 970 1 3 . 1 1 82 82 ARG N N 82 125.478 125.478 119.849 5.629 19436 971 1 3 . 1 1 82 82 ARG C C 82 180.927 180.927 178.668 2.259 19436 972 1 3 . 1 1 82 82 ARG H H 82 7.079 7.079 8.241 -1.162 19436 973 1 4 . 1 1 2 2 PRO HA H 2 4.442 4.442 4.691 -0.249 19436 974 1 4 . 1 1 2 2 PRO CA C 2 62.895 62.895 62.409 0.486 19436 975 1 4 . 1 1 2 2 PRO CB C 2 31.958 31.958 32.930 -0.972 19436 976 1 4 . 1 1 3 3 SER N N 3 117.584 117.584 116.404 1.180 19436 977 1 4 . 1 1 3 3 SER H H 3 8.434 8.434 8.358 0.076 19436 978 1 4 . 1 1 4 4 PRO HA H 4 4.442 4.442 4.564 -0.122 19436 979 1 4 . 1 1 4 4 PRO C C 4 176.912 176.912 175.645 1.267 19436 980 1 4 . 1 1 4 4 PRO CA C 4 63.325 63.325 62.635 0.690 19436 981 1 4 . 1 1 4 4 PRO CB C 4 32.011 32.011 33.032 -1.021 19436 982 1 4 . 1 1 5 5 LEU N N 5 121.539 121.539 123.363 -1.824 19436 983 1 4 . 1 1 5 5 LEU HA H 5 4.344 4.344 4.803 -0.459 19436 984 1 4 . 1 1 5 5 LEU C C 5 177.549 177.549 176.081 1.468 19436 985 1 4 . 1 1 5 5 LEU CA C 5 55.395 55.395 54.334 1.062 19436 986 1 4 . 1 1 5 5 LEU CB C 5 42.317 42.317 44.714 -2.397 19436 987 1 4 . 1 1 5 5 LEU H H 5 8.281 8.281 8.505 -0.224 19436 988 1 4 . 1 1 6 6 SER N N 6 116.435 116.435 116.684 -0.249 19436 989 1 4 . 1 1 6 6 SER HA H 6 4.464 4.464 4.554 -0.090 19436 990 1 4 . 1 1 6 6 SER C C 6 174.630 174.630 174.054 0.576 19436 991 1 4 . 1 1 6 6 SER CA C 6 58.262 58.262 57.445 0.817 19436 992 1 4 . 1 1 6 6 SER CB C 6 63.883 63.883 65.254 -1.371 19436 993 1 4 . 1 1 6 6 SER H H 6 8.250 8.250 8.682 -0.432 19436 994 1 4 . 1 1 7 7 SER N N 7 117.774 117.774 114.404 3.370 19436 995 1 4 . 1 1 7 7 SER HA H 7 4.481 4.481 4.288 0.193 19436 996 1 4 . 1 1 7 7 SER C C 7 174.630 174.630 173.581 1.049 19436 997 1 4 . 1 1 7 7 SER CA C 7 58.511 58.511 58.210 0.301 19436 998 1 4 . 1 1 7 7 SER CB C 7 63.827 63.827 61.754 2.073 19436 999 1 4 . 1 1 7 7 SER H H 7 8.392 8.392 8.711 -0.319 19436 1000 1 4 . 1 1 8 8 GLU N N 8 122.440 122.440 116.700 5.740 19436 1001 1 4 . 1 1 8 8 GLU HA H 8 4.332 4.332 4.192 0.140 19436 1002 1 4 . 1 1 8 8 GLU C C 8 176.591 176.591 176.552 0.039 19436 1003 1 4 . 1 1 8 8 GLU CA C 8 56.846 56.846 57.273 -0.427 19436 1004 1 4 . 1 1 8 8 GLU CB C 8 30.125 30.125 29.765 0.360 19436 1005 1 4 . 1 1 8 8 GLU H H 8 8.458 8.458 8.405 0.053 19436 1006 1 4 . 1 1 9 9 SER N N 9 116.179 116.179 114.453 1.726 19436 1007 1 4 . 1 1 9 9 SER HA H 9 4.449 4.449 4.507 -0.058 19436 1008 1 4 . 1 1 9 9 SER C C 9 174.763 174.763 173.959 0.804 19436 1009 1 4 . 1 1 9 9 SER CA C 9 58.455 58.455 58.790 -0.335 19436 1010 1 4 . 1 1 9 9 SER CB C 9 64.002 64.002 63.805 0.197 19436 1011 1 4 . 1 1 9 9 SER H H 9 8.280 8.280 8.057 0.223 19436 1012 1 4 . 1 1 10 10 GLU N N 10 122.989 122.989 120.025 2.964 19436 1013 1 4 . 1 1 10 10 GLU HA H 10 4.212 4.212 4.723 -0.511 19436 1014 1 4 . 1 1 10 10 GLU C C 10 176.344 176.344 175.716 0.628 19436 1015 1 4 . 1 1 10 10 GLU CA C 10 56.967 56.967 55.277 1.690 19436 1016 1 4 . 1 1 10 10 GLU CB C 10 30.176 30.176 30.990 -0.814 19436 1017 1 4 . 1 1 10 10 GLU H H 10 8.488 8.488 8.463 0.025 19436 1018 1 4 . 1 1 29 29 ALA N N 29 126.204 126.204 124.927 1.277 19436 1019 1 4 . 1 1 29 29 ALA HA H 29 4.487 4.487 4.356 0.131 19436 1020 1 4 . 1 1 29 29 ALA C C 29 176.100 176.100 176.737 -0.637 19436 1021 1 4 . 1 1 29 29 ALA CA C 29 51.192 51.192 51.665 -0.473 19436 1022 1 4 . 1 1 29 29 ALA CB C 29 20.176 20.176 19.888 0.288 19436 1023 1 4 . 1 1 29 29 ALA H H 29 8.570 8.570 8.255 0.315 19436 1024 1 4 . 1 1 30 30 ALA N N 30 128.202 128.202 127.628 0.574 19436 1025 1 4 . 1 1 30 30 ALA HA H 30 4.303 4.303 4.296 0.007 19436 1026 1 4 . 1 1 30 30 ALA C C 30 176.096 176.096 176.229 -0.133 19436 1027 1 4 . 1 1 30 30 ALA CA C 30 51.956 51.956 52.040 -0.084 19436 1028 1 4 . 1 1 30 30 ALA CB C 30 18.945 18.945 19.711 -0.766 19436 1029 1 4 . 1 1 30 30 ALA H H 30 8.665 8.665 7.939 0.726 19436 1030 1 4 . 1 1 31 31 LEU N N 31 120.119 120.119 121.810 -1.691 19436 1031 1 4 . 1 1 31 31 LEU HA H 31 4.897 4.897 4.479 0.418 19436 1032 1 4 . 1 1 31 31 LEU C C 31 178.865 178.865 177.574 1.291 19436 1033 1 4 . 1 1 31 31 LEU CA C 31 52.051 52.051 54.639 -2.588 19436 1034 1 4 . 1 1 31 31 LEU CB C 31 44.147 44.147 44.017 0.130 19436 1035 1 4 . 1 1 31 31 LEU H H 31 8.034 8.034 8.300 -0.266 19436 1036 1 4 . 1 1 32 32 HIS N N 32 122.302 122.302 119.674 2.628 19436 1037 1 4 . 1 1 32 32 HIS HA H 32 4.186 4.186 4.381 -0.195 19436 1038 1 4 . 1 1 32 32 HIS C C 32 177.524 177.524 173.478 4.046 19436 1039 1 4 . 1 1 32 32 HIS H H 32 8.573 8.573 8.576 -0.003 19436 1040 1 4 . 1 1 33 33 ALA HA H 33 4.411 4.411 4.496 -0.085 19436 1041 1 4 . 1 1 33 33 ALA CA C 33 53.433 53.433 50.659 2.774 19436 1042 1 4 . 1 1 33 33 ALA CB C 33 20.342 20.342 20.260 0.082 19436 1043 1 4 . 1 1 34 34 GLU HA H 34 4.684 4.684 4.529 0.155 19436 1044 1 4 . 1 1 34 34 GLU CA C 34 54.841 54.841 56.138 -1.297 19436 1045 1 4 . 1 1 34 34 GLU CB C 34 33.102 33.102 30.412 2.690 19436 1046 1 4 . 1 1 35 35 GLY N N 35 108.193 108.193 111.446 -3.253 19436 1047 1 4 . 1 1 35 35 GLY H H 35 8.661 8.661 8.294 0.367 19436 1048 1 4 . 1 1 36 36 PRO HA H 36 4.278 4.278 4.508 -0.230 19436 1049 1 4 . 1 1 36 36 PRO C C 36 177.885 177.885 175.578 2.307 19436 1050 1 4 . 1 1 36 36 PRO CA C 36 64.598 64.598 62.865 1.733 19436 1051 1 4 . 1 1 36 36 PRO CB C 36 31.945 31.945 32.294 -0.349 19436 1052 1 4 . 1 1 37 37 LEU N N 37 117.378 117.378 120.457 -3.079 19436 1053 1 4 . 1 1 37 37 LEU HA H 37 4.256 4.256 4.697 -0.441 19436 1054 1 4 . 1 1 37 37 LEU C C 37 174.928 174.928 176.029 -1.101 19436 1055 1 4 . 1 1 37 37 LEU CA C 37 52.682 52.682 55.499 -2.817 19436 1056 1 4 . 1 1 37 37 LEU CB C 37 40.999 40.999 43.517 -2.518 19436 1057 1 4 . 1 1 37 37 LEU H H 37 8.557 8.557 8.283 0.274 19436 1058 1 4 . 1 1 38 38 ALA N N 38 120.501 120.501 127.232 -6.731 19436 1059 1 4 . 1 1 38 38 ALA HA H 38 3.476 3.476 4.531 -1.055 19436 1060 1 4 . 1 1 38 38 ALA C C 38 178.760 178.760 177.655 1.105 19436 1061 1 4 . 1 1 38 38 ALA CA C 38 53.756 53.756 52.065 1.691 19436 1062 1 4 . 1 1 38 38 ALA CB C 38 17.949 17.949 19.310 -1.361 19436 1063 1 4 . 1 1 38 38 ALA H H 38 7.202 7.202 8.458 -1.256 19436 1064 1 4 . 1 1 39 39 GLY N N 39 108.963 108.963 109.995 -1.032 19436 1065 1 4 . 1 1 39 39 GLY C C 39 173.272 173.272 174.259 -0.987 19436 1066 1 4 . 1 1 39 39 GLY CA C 39 45.183 45.183 46.321 -1.137 19436 1067 1 4 . 1 1 39 39 GLY H H 39 8.942 8.942 8.118 0.824 19436 1068 1 4 . 1 1 40 40 LEU N N 40 120.080 120.080 121.599 -1.519 19436 1069 1 4 . 1 1 40 40 LEU HA H 40 4.830 4.830 4.586 0.244 19436 1070 1 4 . 1 1 40 40 LEU C C 40 174.422 174.422 175.071 -0.649 19436 1071 1 4 . 1 1 40 40 LEU CB C 40 41.282 41.282 43.582 -2.300 19436 1072 1 4 . 1 1 40 40 LEU H H 40 8.216 8.216 7.827 0.389 19436 1073 1 4 . 1 1 41 41 PRO HA H 41 4.803 4.803 4.556 0.247 19436 1074 1 4 . 1 1 41 41 PRO CA C 41 61.528 61.528 62.792 -1.264 19436 1075 1 4 . 1 1 41 41 PRO CB C 41 31.384 31.384 33.687 -2.303 19436 1076 1 4 . 1 1 42 42 VAL N N 42 121.846 121.846 119.258 2.588 19436 1077 1 4 . 1 1 42 42 VAL HA H 42 3.510 3.510 3.844 -0.334 19436 1078 1 4 . 1 1 42 42 VAL CA C 42 65.888 65.888 62.582 3.306 19436 1079 1 4 . 1 1 42 42 VAL CB C 42 31.208 31.208 31.714 -0.506 19436 1080 1 4 . 1 1 42 42 VAL H H 42 7.784 7.784 8.595 -0.811 19436 1081 1 4 . 1 1 43 43 THR N N 43 109.158 109.158 112.829 -3.671 19436 1082 1 4 . 1 1 43 43 THR HA H 43 4.996 4.996 4.276 0.720 19436 1083 1 4 . 1 1 43 43 THR CA C 43 59.964 59.964 63.588 -3.624 19436 1084 1 4 . 1 1 43 43 THR CB C 43 12.133 12.133 69.099 -56.966 19436 1085 1 4 . 1 1 43 43 THR H H 43 8.911 8.911 8.342 0.569 19436 1086 1 4 . 1 1 44 44 ARG N N 44 120.175 120.175 117.392 2.783 19436 1087 1 4 . 1 1 44 44 ARG HA H 44 3.936 3.936 4.729 -0.793 19436 1088 1 4 . 1 1 44 44 ARG CA C 44 60.596 60.596 55.443 5.153 19436 1089 1 4 . 1 1 44 44 ARG CB C 44 29.617 29.617 31.237 -1.620 19436 1090 1 4 . 1 1 44 44 ARG H H 44 9.305 9.305 8.123 1.182 19436 1091 1 4 . 1 1 45 45 SER N N 45 114.367 114.367 115.319 -0.952 19436 1092 1 4 . 1 1 45 45 SER HA H 45 4.118 4.118 4.530 -0.412 19436 1093 1 4 . 1 1 45 45 SER CA C 45 62.355 62.355 56.339 6.016 19436 1094 1 4 . 1 1 45 45 SER CB C 45 62.355 62.355 63.347 -0.992 19436 1095 1 4 . 1 1 45 45 SER H H 45 8.192 8.192 7.437 0.755 19436 1096 1 4 . 1 1 46 46 ASP N N 46 120.511 120.511 124.644 -4.133 19436 1097 1 4 . 1 1 46 46 ASP HA H 46 4.396 4.396 4.096 0.300 19436 1098 1 4 . 1 1 46 46 ASP C C 46 177.220 177.220 174.268 2.952 19436 1099 1 4 . 1 1 46 46 ASP CA C 46 58.113 58.113 54.845 3.268 19436 1100 1 4 . 1 1 46 46 ASP CB C 46 43.287 43.287 39.104 4.183 19436 1101 1 4 . 1 1 46 46 ASP H H 46 7.354 7.354 8.857 -1.503 19436 1102 1 4 . 1 1 47 47 ALA N N 47 120.606 120.606 119.271 1.335 19436 1103 1 4 . 1 1 47 47 ALA HA H 47 3.736 3.736 4.438 -0.702 19436 1104 1 4 . 1 1 47 47 ALA C C 47 178.603 178.603 176.992 1.611 19436 1105 1 4 . 1 1 47 47 ALA CA C 47 54.879 54.879 51.128 3.751 19436 1106 1 4 . 1 1 47 47 ALA CB C 47 19.739 19.739 18.657 1.082 19436 1107 1 4 . 1 1 47 47 ALA H H 47 7.838 7.838 8.162 -0.324 19436 1108 1 4 . 1 1 48 48 ARG N N 48 116.233 116.233 119.874 -3.641 19436 1109 1 4 . 1 1 48 48 ARG HA H 48 3.796 3.796 4.856 -1.060 19436 1110 1 4 . 1 1 48 48 ARG C C 48 177.903 177.903 175.698 2.205 19436 1111 1 4 . 1 1 48 48 ARG CA C 48 61.517 61.517 55.779 5.738 19436 1112 1 4 . 1 1 48 48 ARG CB C 48 30.351 30.351 32.578 -2.227 19436 1113 1 4 . 1 1 48 48 ARG H H 48 8.060 8.060 7.722 0.338 19436 1114 1 4 . 1 1 49 49 VAL N N 49 119.026 119.026 118.920 0.106 19436 1115 1 4 . 1 1 49 49 VAL HA H 49 3.636 3.636 4.561 -0.925 19436 1116 1 4 . 1 1 49 49 VAL C C 49 177.817 177.817 174.818 2.999 19436 1117 1 4 . 1 1 49 49 VAL CA C 49 67.018 67.018 59.972 7.045 19436 1118 1 4 . 1 1 49 49 VAL CB C 49 31.821 31.821 31.480 0.341 19436 1119 1 4 . 1 1 49 49 VAL H H 49 7.413 7.413 8.286 -0.873 19436 1120 1 4 . 1 1 50 50 LEU HA H 50 4.113 4.113 4.502 -0.389 19436 1121 1 4 . 1 1 50 50 LEU C C 50 180.992 180.992 175.017 5.975 19436 1122 1 4 . 1 1 50 50 LEU CA C 50 58.382 58.382 53.725 4.657 19436 1123 1 4 . 1 1 50 50 LEU CB C 50 41.668 41.668 42.008 -0.340 19436 1124 1 4 . 1 1 51 51 ILE HA H 51 3.698 3.698 4.241 -0.543 19436 1125 1 4 . 1 1 51 51 ILE C C 51 178.708 178.708 174.777 3.931 19436 1126 1 4 . 1 1 51 51 ILE CA C 51 65.868 65.868 61.201 4.667 19436 1127 1 4 . 1 1 51 51 ILE CB C 51 38.755 38.755 38.544 0.211 19436 1128 1 4 . 1 1 52 52 PHE N N 52 123.370 123.370 122.205 1.165 19436 1129 1 4 . 1 1 52 52 PHE HA H 52 4.174 4.174 4.774 -0.600 19436 1130 1 4 . 1 1 52 52 PHE C C 52 176.998 176.998 175.004 1.994 19436 1131 1 4 . 1 1 52 52 PHE CA C 52 62.566 62.566 57.641 4.925 19436 1132 1 4 . 1 1 52 52 PHE CB C 52 39.295 39.295 41.872 -2.577 19436 1133 1 4 . 1 1 52 52 PHE H H 52 8.748 8.748 8.561 0.187 19436 1134 1 4 . 1 1 53 53 ASN N N 53 117.944 117.944 119.752 -1.808 19436 1135 1 4 . 1 1 53 53 ASN HA H 53 4.478 4.478 4.858 -0.380 19436 1136 1 4 . 1 1 53 53 ASN C C 53 178.706 178.706 174.406 4.300 19436 1137 1 4 . 1 1 53 53 ASN CA C 53 56.027 56.027 53.242 2.785 19436 1138 1 4 . 1 1 53 53 ASN CB C 53 37.883 37.883 39.287 -1.404 19436 1139 1 4 . 1 1 53 53 ASN H H 53 8.990 8.990 8.584 0.406 19436 1140 1 4 . 1 1 54 54 GLU N N 54 121.168 121.168 118.059 3.109 19436 1141 1 4 . 1 1 54 54 GLU HA H 54 4.123 4.123 4.013 0.110 19436 1142 1 4 . 1 1 54 54 GLU C C 54 177.753 177.753 175.108 2.645 19436 1143 1 4 . 1 1 54 54 GLU CA C 54 59.415 59.415 56.997 2.418 19436 1144 1 4 . 1 1 54 54 GLU CB C 54 30.146 30.146 28.676 1.470 19436 1145 1 4 . 1 1 54 54 GLU H H 54 8.177 8.177 8.425 -0.248 19436 1146 1 4 . 1 1 55 55 TRP N N 55 122.549 122.549 120.717 1.832 19436 1147 1 4 . 1 1 55 55 TRP HA H 55 4.018 4.018 4.954 -0.936 19436 1148 1 4 . 1 1 55 55 TRP C C 55 176.647 176.647 175.189 1.458 19436 1149 1 4 . 1 1 55 55 TRP CA C 55 61.743 61.743 57.365 4.378 19436 1150 1 4 . 1 1 55 55 TRP CB C 55 27.960 27.960 29.232 -1.272 19436 1151 1 4 . 1 1 55 55 TRP H H 55 8.160 8.160 7.931 0.229 19436 1152 1 4 . 1 1 56 56 GLU N N 56 117.397 117.397 122.185 -4.788 19436 1153 1 4 . 1 1 56 56 GLU HA H 56 2.962 2.962 4.629 -1.667 19436 1154 1 4 . 1 1 56 56 GLU C C 56 178.417 178.417 174.532 3.885 19436 1155 1 4 . 1 1 56 56 GLU CA C 56 59.739 59.739 54.663 5.076 19436 1156 1 4 . 1 1 56 56 GLU CB C 56 29.601 29.601 31.180 -1.579 19436 1157 1 4 . 1 1 56 56 GLU H H 56 8.558 8.558 8.374 0.183 19436 1158 1 4 . 1 1 57 57 GLU HA H 57 4.049 4.049 4.516 -0.467 19436 1159 1 4 . 1 1 57 57 GLU C C 57 179.462 179.462 175.913 3.549 19436 1160 1 4 . 1 1 57 57 GLU CA C 57 58.264 58.264 56.278 1.986 19436 1161 1 4 . 1 1 57 57 GLU CB C 57 29.826 29.826 28.267 1.559 19436 1162 1 4 . 1 1 58 58 ARG N N 58 120.321 120.321 122.506 -2.185 19436 1163 1 4 . 1 1 58 58 ARG HA H 58 3.922 3.922 4.037 -0.115 19436 1164 1 4 . 1 1 58 58 ARG C C 58 178.832 178.832 174.484 4.348 19436 1165 1 4 . 1 1 58 58 ARG CA C 58 58.846 58.846 55.338 3.508 19436 1166 1 4 . 1 1 58 58 ARG H H 58 8.420 8.420 7.832 0.588 19436 1167 1 4 . 1 1 59 59 LYS N N 59 118.447 118.447 120.647 -2.200 19436 1168 1 4 . 1 1 59 59 LYS HA H 59 3.681 3.681 4.563 -0.882 19436 1169 1 4 . 1 1 59 59 LYS C C 59 176.846 176.846 176.421 0.425 19436 1170 1 4 . 1 1 59 59 LYS CA C 59 57.540 57.540 55.902 1.638 19436 1171 1 4 . 1 1 59 59 LYS CB C 59 30.572 30.572 32.879 -2.307 19436 1172 1 4 . 1 1 59 59 LYS H H 59 8.436 8.436 8.069 0.367 19436 1173 1 4 . 1 1 60 60 LYS N N 60 117.663 117.663 120.107 -2.444 19436 1174 1 4 . 1 1 60 60 LYS HA H 60 3.817 3.817 4.445 -0.628 19436 1175 1 4 . 1 1 60 60 LYS C C 60 177.762 177.762 176.942 0.820 19436 1176 1 4 . 1 1 60 60 LYS CA C 60 59.207 59.207 56.541 2.666 19436 1177 1 4 . 1 1 60 60 LYS CB C 60 32.269 32.269 32.327 -0.058 19436 1178 1 4 . 1 1 60 60 LYS H H 60 6.904 6.904 7.873 -0.969 19436 1179 1 4 . 1 1 61 61 SER N N 61 110.383 110.383 116.743 -6.360 19436 1180 1 4 . 1 1 61 61 SER HA H 61 4.527 4.527 4.987 -0.460 19436 1181 1 4 . 1 1 61 61 SER C C 61 174.006 174.006 172.536 1.470 19436 1182 1 4 . 1 1 61 61 SER CA C 61 58.671 58.671 57.255 1.417 19436 1183 1 4 . 1 1 61 61 SER CB C 61 64.444 64.444 66.075 -1.631 19436 1184 1 4 . 1 1 61 61 SER H H 61 7.381 7.381 8.319 -0.938 19436 1185 1 4 . 1 1 62 62 GLU N N 62 121.734 121.734 120.982 0.752 19436 1186 1 4 . 1 1 62 62 GLU HA H 62 3.681 3.681 4.775 -1.094 19436 1187 1 4 . 1 1 62 62 GLU C C 62 172.751 172.751 174.823 -2.072 19436 1188 1 4 . 1 1 62 62 GLU CA C 62 52.861 52.861 55.177 -2.316 19436 1189 1 4 . 1 1 62 62 GLU CB C 62 30.206 30.206 30.845 -0.639 19436 1190 1 4 . 1 1 62 62 GLU H H 62 7.625 7.625 9.239 -1.614 19436 1191 1 4 . 1 1 63 63 PRO HA H 63 4.267 4.267 5.010 -0.743 19436 1192 1 4 . 1 1 63 63 PRO C C 63 176.541 176.541 176.952 -0.411 19436 1193 1 4 . 1 1 63 63 PRO CA C 63 64.621 64.621 61.252 3.369 19436 1194 1 4 . 1 1 63 63 PRO CB C 63 31.452 31.452 35.609 -4.157 19436 1195 1 4 . 1 1 64 64 TRP N N 64 115.298 115.298 120.851 -5.553 19436 1196 1 4 . 1 1 64 64 TRP HA H 64 4.645 4.645 4.755 -0.110 19436 1197 1 4 . 1 1 64 64 TRP C C 64 176.530 176.530 176.631 -0.101 19436 1198 1 4 . 1 1 64 64 TRP CA C 64 56.604 56.604 57.805 -1.201 19436 1199 1 4 . 1 1 64 64 TRP CB C 64 28.026 28.026 31.438 -3.412 19436 1200 1 4 . 1 1 64 64 TRP H H 64 6.837 6.837 8.668 -1.831 19436 1201 1 4 . 1 1 65 65 LEU N N 65 125.040 125.040 125.952 -0.912 19436 1202 1 4 . 1 1 65 65 LEU HA H 65 4.149 4.149 4.439 -0.290 19436 1203 1 4 . 1 1 65 65 LEU C C 65 177.528 177.528 175.448 2.080 19436 1204 1 4 . 1 1 65 65 LEU CA C 65 56.277 56.277 55.338 0.939 19436 1205 1 4 . 1 1 65 65 LEU CB C 65 43.152 43.152 42.837 0.315 19436 1206 1 4 . 1 1 65 65 LEU H H 65 7.252 7.252 8.877 -1.625 19436 1207 1 4 . 1 1 66 66 ARG N N 66 128.225 128.225 117.116 11.109 19436 1208 1 4 . 1 1 66 66 ARG HA H 66 4.578 4.578 4.486 0.092 19436 1209 1 4 . 1 1 66 66 ARG C C 66 175.757 175.757 175.784 -0.027 19436 1210 1 4 . 1 1 66 66 ARG CA C 66 55.105 55.105 54.581 0.524 19436 1211 1 4 . 1 1 66 66 ARG CB C 66 31.397 31.397 32.443 -1.046 19436 1212 1 4 . 1 1 66 66 ARG H H 66 8.892 8.892 7.907 0.985 19436 1213 1 4 . 1 1 67 67 LEU N N 67 127.896 127.896 121.087 6.809 19436 1214 1 4 . 1 1 67 67 LEU HA H 67 3.560 3.560 4.079 -0.519 19436 1215 1 4 . 1 1 67 67 LEU C C 67 175.383 175.383 175.929 -0.546 19436 1216 1 4 . 1 1 67 67 LEU CA C 67 54.595 54.595 54.474 0.121 19436 1217 1 4 . 1 1 67 67 LEU H H 67 8.328 8.328 8.375 -0.047 19436 1218 1 4 . 1 1 68 68 ASP HA H 68 4.719 4.719 4.567 0.152 19436 1219 1 4 . 1 1 68 68 ASP C C 68 174.373 174.373 175.727 -1.354 19436 1220 1 4 . 1 1 68 68 ASP CA C 68 52.936 52.936 55.739 -2.803 19436 1221 1 4 . 1 1 68 68 ASP CB C 68 41.363 41.363 40.851 0.512 19436 1222 1 4 . 1 1 69 69 MET N N 69 122.596 122.596 116.865 5.731 19436 1223 1 4 . 1 1 69 69 MET HA H 69 4.539 4.539 4.635 -0.096 19436 1224 1 4 . 1 1 69 69 MET C C 69 174.798 174.798 175.500 -0.702 19436 1225 1 4 . 1 1 69 69 MET CA C 69 53.657 53.657 54.017 -0.360 19436 1226 1 4 . 1 1 69 69 MET CB C 69 33.356 33.356 31.846 1.510 19436 1227 1 4 . 1 1 69 69 MET H H 69 8.777 8.777 7.984 0.793 19436 1228 1 4 . 1 1 70 70 SER N N 70 116.028 116.028 114.494 1.534 19436 1229 1 4 . 1 1 70 70 SER HA H 70 4.183 4.183 4.334 -0.151 19436 1230 1 4 . 1 1 70 70 SER C C 70 173.995 173.995 175.777 -1.782 19436 1231 1 4 . 1 1 70 70 SER CA C 70 58.683 58.683 59.388 -0.705 19436 1232 1 4 . 1 1 70 70 SER CB C 70 64.826 64.826 62.766 2.060 19436 1233 1 4 . 1 1 70 70 SER H H 70 8.179 8.179 7.734 0.445 19436 1234 1 4 . 1 1 71 71 ASP N N 71 121.658 121.658 125.282 -3.624 19436 1235 1 4 . 1 1 71 71 ASP HA H 71 3.788 3.788 4.239 -0.451 19436 1236 1 4 . 1 1 71 71 ASP C C 71 176.757 176.757 175.363 1.394 19436 1237 1 4 . 1 1 71 71 ASP CA C 71 57.426 57.426 54.027 3.399 19436 1238 1 4 . 1 1 71 71 ASP H H 71 8.789 8.789 9.082 -0.293 19436 1239 1 4 . 1 1 72 72 LYS N N 72 116.258 116.258 119.302 -3.044 19436 1240 1 4 . 1 1 72 72 LYS HA H 72 3.751 3.751 4.859 -1.108 19436 1241 1 4 . 1 1 72 72 LYS C C 72 178.882 178.882 174.535 4.347 19436 1242 1 4 . 1 1 72 72 LYS CA C 72 59.891 59.891 53.112 6.779 19436 1243 1 4 . 1 1 72 72 LYS CB C 72 32.195 32.195 33.238 -1.043 19436 1244 1 4 . 1 1 72 72 LYS H H 72 7.876 7.876 8.120 -0.244 19436 1245 1 4 . 1 1 73 73 ALA HA H 73 3.939 3.939 4.791 -0.852 19436 1246 1 4 . 1 1 73 73 ALA C C 73 181.112 181.112 177.052 4.060 19436 1247 1 4 . 1 1 73 73 ALA CA C 73 55.118 55.118 50.850 4.268 19436 1248 1 4 . 1 1 73 73 ALA CB C 73 17.847 17.847 20.004 -2.157 19436 1249 1 4 . 1 1 74 74 ILE N N 74 119.583 119.583 117.195 2.388 19436 1250 1 4 . 1 1 74 74 ILE HA H 74 3.477 3.477 4.370 -0.893 19436 1251 1 4 . 1 1 74 74 ILE C C 74 177.697 177.697 176.436 1.261 19436 1252 1 4 . 1 1 74 74 ILE CA C 74 66.112 66.112 61.685 4.427 19436 1253 1 4 . 1 1 74 74 ILE CB C 74 37.678 37.678 39.006 -1.328 19436 1254 1 4 . 1 1 74 74 ILE H H 74 8.119 8.119 8.106 0.013 19436 1255 1 4 . 1 1 75 75 PHE N N 75 117.768 117.768 114.532 3.236 19436 1256 1 4 . 1 1 75 75 PHE HA H 75 4.431 4.431 4.793 -0.362 19436 1257 1 4 . 1 1 75 75 PHE C C 75 177.987 177.987 176.112 1.875 19436 1258 1 4 . 1 1 75 75 PHE CA C 75 56.968 56.968 54.903 2.065 19436 1259 1 4 . 1 1 75 75 PHE CB C 75 37.281 37.281 42.190 -4.909 19436 1260 1 4 . 1 1 75 75 PHE H H 75 8.553 8.553 8.061 0.492 19436 1261 1 4 . 1 1 76 76 ARG N N 76 117.370 117.370 121.853 -4.483 19436 1262 1 4 . 1 1 76 76 ARG HA H 76 4.059 4.059 3.909 0.150 19436 1263 1 4 . 1 1 76 76 ARG C C 76 177.520 177.520 177.767 -0.247 19436 1264 1 4 . 1 1 76 76 ARG CA C 76 58.690 58.690 60.781 -2.091 19436 1265 1 4 . 1 1 76 76 ARG CB C 76 30.417 30.417 30.083 0.334 19436 1266 1 4 . 1 1 76 76 ARG H H 76 7.532 7.532 8.834 -1.302 19436 1267 1 4 . 1 1 77 77 ARG N N 77 117.482 117.482 119.481 -1.999 19436 1268 1 4 . 1 1 77 77 ARG HA H 77 3.967 3.967 4.035 -0.068 19436 1269 1 4 . 1 1 77 77 ARG C C 77 176.168 176.168 178.254 -2.086 19436 1270 1 4 . 1 1 77 77 ARG CA C 77 57.472 57.472 59.375 -1.903 19436 1271 1 4 . 1 1 77 77 ARG CB C 77 31.746 31.746 29.764 1.982 19436 1272 1 4 . 1 1 77 77 ARG H H 77 7.222 7.222 8.314 -1.092 19436 1273 1 4 . 1 1 78 78 TYR N N 78 116.126 116.126 122.498 -6.372 19436 1274 1 4 . 1 1 78 78 TYR HA H 78 5.333 5.333 4.246 1.087 19436 1275 1 4 . 1 1 78 78 TYR C C 78 172.361 172.361 177.987 -5.626 19436 1276 1 4 . 1 1 78 78 TYR CB C 78 38.546 38.546 37.983 0.562 19436 1277 1 4 . 1 1 78 78 TYR H H 78 8.823 8.823 7.801 1.022 19436 1278 1 4 . 1 1 79 79 PRO HA H 79 4.441 4.441 4.031 0.410 19436 1279 1 4 . 1 1 79 79 PRO C C 79 178.491 178.491 179.346 -0.855 19436 1280 1 4 . 1 1 79 79 PRO CA C 79 64.854 64.854 66.231 -1.377 19436 1281 1 4 . 1 1 79 79 PRO CB C 79 31.694 31.694 31.093 0.601 19436 1282 1 4 . 1 1 80 80 HIS N N 80 115.604 115.604 117.624 -2.020 19436 1283 1 4 . 1 1 80 80 HIS HA H 80 4.549 4.549 4.224 0.325 19436 1284 1 4 . 1 1 80 80 HIS C C 80 176.202 176.202 177.542 -1.340 19436 1285 1 4 . 1 1 80 80 HIS CA C 80 58.597 58.597 59.528 -0.931 19436 1286 1 4 . 1 1 80 80 HIS CB C 80 29.685 29.685 29.776 -0.091 19436 1287 1 4 . 1 1 80 80 HIS H H 80 8.274 8.274 8.030 0.244 19436 1288 1 4 . 1 1 81 81 LEU N N 81 120.646 120.646 122.122 -1.476 19436 1289 1 4 . 1 1 81 81 LEU HA H 81 4.228 4.228 3.982 0.246 19436 1290 1 4 . 1 1 81 81 LEU C C 81 175.906 175.906 178.471 -2.565 19436 1291 1 4 . 1 1 81 81 LEU CA C 81 54.105 54.105 59.895 -5.790 19436 1292 1 4 . 1 1 81 81 LEU CB C 81 41.759 41.759 41.843 -0.084 19436 1293 1 4 . 1 1 81 81 LEU H H 81 7.609 7.609 8.297 -0.688 19436 1294 1 4 . 1 1 82 82 ARG N N 82 125.478 125.478 119.571 5.907 19436 1295 1 4 . 1 1 82 82 ARG C C 82 180.927 180.927 179.051 1.876 19436 1296 1 4 . 1 1 82 82 ARG H H 82 7.079 7.079 8.523 -1.444 19436 1297 1 5 . 1 1 2 2 PRO HA H 2 4.442 4.442 5.350 -0.908 19436 1298 1 5 . 1 1 2 2 PRO CA C 2 62.895 62.895 62.204 0.691 19436 1299 1 5 . 1 1 2 2 PRO CB C 2 31.958 31.958 33.969 -2.011 19436 1300 1 5 . 1 1 3 3 SER N N 3 117.584 117.584 115.577 2.007 19436 1301 1 5 . 1 1 3 3 SER H H 3 8.434 8.434 8.518 -0.084 19436 1302 1 5 . 1 1 4 4 PRO HA H 4 4.442 4.442 4.721 -0.279 19436 1303 1 5 . 1 1 4 4 PRO C C 4 176.912 176.912 176.945 -0.033 19436 1304 1 5 . 1 1 4 4 PRO CA C 4 63.325 63.325 62.654 0.671 19436 1305 1 5 . 1 1 4 4 PRO CB C 4 32.011 32.011 32.479 -0.468 19436 1306 1 5 . 1 1 5 5 LEU N N 5 121.539 121.539 122.840 -1.301 19436 1307 1 5 . 1 1 5 5 LEU HA H 5 4.344 4.344 4.696 -0.352 19436 1308 1 5 . 1 1 5 5 LEU C C 5 177.549 177.549 175.443 2.106 19436 1309 1 5 . 1 1 5 5 LEU CA C 5 55.395 55.395 54.315 1.081 19436 1310 1 5 . 1 1 5 5 LEU CB C 5 42.317 42.317 43.788 -1.471 19436 1311 1 5 . 1 1 5 5 LEU H H 5 8.281 8.281 8.537 -0.256 19436 1312 1 5 . 1 1 6 6 SER N N 6 116.435 116.435 117.890 -1.455 19436 1313 1 5 . 1 1 6 6 SER HA H 6 4.464 4.464 4.795 -0.331 19436 1314 1 5 . 1 1 6 6 SER C C 6 174.630 174.630 172.897 1.733 19436 1315 1 5 . 1 1 6 6 SER CA C 6 58.262 58.262 58.850 -0.588 19436 1316 1 5 . 1 1 6 6 SER CB C 6 63.883 63.883 63.387 0.496 19436 1317 1 5 . 1 1 6 6 SER H H 6 8.250 8.250 8.727 -0.477 19436 1318 1 5 . 1 1 7 7 SER N N 7 117.774 117.774 122.570 -4.796 19436 1319 1 5 . 1 1 7 7 SER HA H 7 4.481 4.481 4.510 -0.029 19436 1320 1 5 . 1 1 7 7 SER C C 7 174.630 174.630 172.547 2.083 19436 1321 1 5 . 1 1 7 7 SER CA C 7 58.511 58.511 58.412 0.099 19436 1322 1 5 . 1 1 7 7 SER CB C 7 63.827 63.827 65.636 -1.809 19436 1323 1 5 . 1 1 7 7 SER H H 7 8.392 8.392 8.876 -0.484 19436 1324 1 5 . 1 1 8 8 GLU N N 8 122.440 122.440 121.436 1.004 19436 1325 1 5 . 1 1 8 8 GLU HA H 8 4.332 4.332 4.618 -0.286 19436 1326 1 5 . 1 1 8 8 GLU C C 8 176.591 176.591 174.577 2.014 19436 1327 1 5 . 1 1 8 8 GLU CA C 8 56.846 56.846 55.443 1.403 19436 1328 1 5 . 1 1 8 8 GLU CB C 8 30.125 30.125 32.182 -2.057 19436 1329 1 5 . 1 1 8 8 GLU H H 8 8.458 8.458 7.835 0.623 19436 1330 1 5 . 1 1 9 9 SER N N 9 116.179 116.179 116.668 -0.489 19436 1331 1 5 . 1 1 9 9 SER HA H 9 4.449 4.449 4.768 -0.319 19436 1332 1 5 . 1 1 9 9 SER C C 9 174.763 174.763 172.624 2.139 19436 1333 1 5 . 1 1 9 9 SER CA C 9 58.455 58.455 58.059 0.397 19436 1334 1 5 . 1 1 9 9 SER CB C 9 64.002 64.002 65.534 -1.532 19436 1335 1 5 . 1 1 9 9 SER H H 9 8.280 8.280 9.118 -0.838 19436 1336 1 5 . 1 1 10 10 GLU N N 10 122.989 122.989 123.515 -0.526 19436 1337 1 5 . 1 1 10 10 GLU HA H 10 4.212 4.212 4.495 -0.283 19436 1338 1 5 . 1 1 10 10 GLU C C 10 176.344 176.344 173.724 2.620 19436 1339 1 5 . 1 1 10 10 GLU CA C 10 56.967 56.967 56.152 0.815 19436 1340 1 5 . 1 1 10 10 GLU CB C 10 30.176 30.176 31.263 -1.087 19436 1341 1 5 . 1 1 10 10 GLU H H 10 8.488 8.488 8.251 0.237 19436 1342 1 5 . 1 1 29 29 ALA N N 29 126.204 126.204 125.278 0.926 19436 1343 1 5 . 1 1 29 29 ALA HA H 29 4.487 4.487 4.584 -0.097 19436 1344 1 5 . 1 1 29 29 ALA C C 29 176.100 176.100 175.675 0.425 19436 1345 1 5 . 1 1 29 29 ALA CA C 29 51.192 51.192 52.452 -1.260 19436 1346 1 5 . 1 1 29 29 ALA CB C 29 20.176 20.176 20.881 -0.705 19436 1347 1 5 . 1 1 29 29 ALA H H 29 8.570 8.570 8.247 0.323 19436 1348 1 5 . 1 1 30 30 ALA N N 30 128.202 128.202 128.339 -0.137 19436 1349 1 5 . 1 1 30 30 ALA HA H 30 4.303 4.303 5.019 -0.716 19436 1350 1 5 . 1 1 30 30 ALA C C 30 176.096 176.096 175.715 0.381 19436 1351 1 5 . 1 1 30 30 ALA CA C 30 51.956 51.956 51.405 0.551 19436 1352 1 5 . 1 1 30 30 ALA CB C 30 18.945 18.945 21.409 -2.464 19436 1353 1 5 . 1 1 30 30 ALA H H 30 8.665 8.665 8.397 0.268 19436 1354 1 5 . 1 1 31 31 LEU N N 31 120.119 120.119 121.486 -1.367 19436 1355 1 5 . 1 1 31 31 LEU HA H 31 4.897 4.897 4.987 -0.090 19436 1356 1 5 . 1 1 31 31 LEU C C 31 178.865 178.865 175.238 3.627 19436 1357 1 5 . 1 1 31 31 LEU CA C 31 52.051 52.051 54.865 -2.814 19436 1358 1 5 . 1 1 31 31 LEU CB C 31 44.147 44.147 44.752 -0.605 19436 1359 1 5 . 1 1 31 31 LEU H H 31 8.034 8.034 8.925 -0.891 19436 1360 1 5 . 1 1 32 32 HIS N N 32 122.302 122.302 120.863 1.439 19436 1361 1 5 . 1 1 32 32 HIS HA H 32 4.186 4.186 4.553 -0.367 19436 1362 1 5 . 1 1 32 32 HIS C C 32 177.524 177.524 172.418 5.106 19436 1363 1 5 . 1 1 32 32 HIS H H 32 8.573 8.573 7.924 0.649 19436 1364 1 5 . 1 1 33 33 ALA HA H 33 4.411 4.411 4.754 -0.343 19436 1365 1 5 . 1 1 33 33 ALA CA C 33 53.433 53.433 50.492 2.941 19436 1366 1 5 . 1 1 33 33 ALA CB C 33 20.342 20.342 18.938 1.404 19436 1367 1 5 . 1 1 34 34 GLU HA H 34 4.684 4.684 4.691 -0.007 19436 1368 1 5 . 1 1 34 34 GLU CA C 34 54.841 54.841 56.064 -1.223 19436 1369 1 5 . 1 1 34 34 GLU CB C 34 33.102 33.102 30.919 2.183 19436 1370 1 5 . 1 1 35 35 GLY N N 35 108.193 108.193 108.167 0.026 19436 1371 1 5 . 1 1 35 35 GLY H H 35 8.661 8.661 8.364 0.297 19436 1372 1 5 . 1 1 36 36 PRO HA H 36 4.278 4.278 4.688 -0.410 19436 1373 1 5 . 1 1 36 36 PRO C C 36 177.885 177.885 176.671 1.214 19436 1374 1 5 . 1 1 36 36 PRO CA C 36 64.598 64.598 62.571 2.027 19436 1375 1 5 . 1 1 36 36 PRO CB C 36 31.945 31.945 29.980 1.964 19436 1376 1 5 . 1 1 37 37 LEU N N 37 117.378 117.378 116.019 1.359 19436 1377 1 5 . 1 1 37 37 LEU HA H 37 4.256 4.256 4.473 -0.217 19436 1378 1 5 . 1 1 37 37 LEU C C 37 174.928 174.928 177.476 -2.548 19436 1379 1 5 . 1 1 37 37 LEU CA C 37 52.682 52.682 55.496 -2.814 19436 1380 1 5 . 1 1 37 37 LEU CB C 37 40.999 40.999 41.863 -0.864 19436 1381 1 5 . 1 1 37 37 LEU H H 37 8.557 8.557 7.780 0.777 19436 1382 1 5 . 1 1 38 38 ALA N N 38 120.501 120.501 124.657 -4.156 19436 1383 1 5 . 1 1 38 38 ALA HA H 38 3.476 3.476 4.273 -0.797 19436 1384 1 5 . 1 1 38 38 ALA C C 38 178.760 178.760 177.378 1.382 19436 1385 1 5 . 1 1 38 38 ALA CA C 38 53.756 53.756 52.845 0.911 19436 1386 1 5 . 1 1 38 38 ALA CB C 38 17.949 17.949 19.516 -1.567 19436 1387 1 5 . 1 1 38 38 ALA H H 38 7.202 7.202 7.899 -0.697 19436 1388 1 5 . 1 1 39 39 GLY N N 39 108.963 108.963 112.365 -3.402 19436 1389 1 5 . 1 1 39 39 GLY C C 39 173.272 173.272 175.526 -2.254 19436 1390 1 5 . 1 1 39 39 GLY CA C 39 45.183 45.183 44.816 0.367 19436 1391 1 5 . 1 1 39 39 GLY H H 39 8.942 8.942 8.547 0.395 19436 1392 1 5 . 1 1 40 40 LEU N N 40 120.080 120.080 124.380 -4.300 19436 1393 1 5 . 1 1 40 40 LEU HA H 40 4.830 4.830 4.178 0.652 19436 1394 1 5 . 1 1 40 40 LEU C C 40 174.422 174.422 177.526 -3.104 19436 1395 1 5 . 1 1 40 40 LEU CB C 40 41.282 41.282 41.637 -0.355 19436 1396 1 5 . 1 1 40 40 LEU H H 40 8.216 8.216 8.797 -0.581 19436 1397 1 5 . 1 1 41 41 PRO HA H 41 4.803 4.803 4.227 0.576 19436 1398 1 5 . 1 1 41 41 PRO CA C 41 61.528 61.528 65.057 -3.529 19436 1399 1 5 . 1 1 41 41 PRO CB C 41 31.384 31.384 31.726 -0.342 19436 1400 1 5 . 1 1 42 42 VAL N N 42 121.846 121.846 122.273 -0.427 19436 1401 1 5 . 1 1 42 42 VAL HA H 42 3.510 3.510 3.793 -0.283 19436 1402 1 5 . 1 1 42 42 VAL CA C 42 65.888 65.888 64.159 1.729 19436 1403 1 5 . 1 1 42 42 VAL CB C 42 31.208 31.208 31.326 -0.118 19436 1404 1 5 . 1 1 42 42 VAL H H 42 7.784 7.784 8.250 -0.466 19436 1405 1 5 . 1 1 43 43 THR N N 43 109.158 109.158 111.952 -2.794 19436 1406 1 5 . 1 1 43 43 THR HA H 43 4.996 4.996 4.175 0.821 19436 1407 1 5 . 1 1 43 43 THR CA C 43 59.964 59.964 64.106 -4.141 19436 1408 1 5 . 1 1 43 43 THR CB C 43 12.133 12.133 69.401 -57.268 19436 1409 1 5 . 1 1 43 43 THR H H 43 8.911 8.911 7.653 1.258 19436 1410 1 5 . 1 1 44 44 ARG N N 44 120.175 120.175 115.832 4.343 19436 1411 1 5 . 1 1 44 44 ARG HA H 44 3.936 3.936 4.428 -0.492 19436 1412 1 5 . 1 1 44 44 ARG CA C 44 60.596 60.596 55.716 4.880 19436 1413 1 5 . 1 1 44 44 ARG CB C 44 29.617 29.617 32.066 -2.449 19436 1414 1 5 . 1 1 44 44 ARG H H 44 9.305 9.305 7.776 1.529 19436 1415 1 5 . 1 1 45 45 SER N N 45 114.367 114.367 116.503 -2.136 19436 1416 1 5 . 1 1 45 45 SER HA H 45 4.118 4.118 4.523 -0.405 19436 1417 1 5 . 1 1 45 45 SER CA C 45 62.355 62.355 57.493 4.862 19436 1418 1 5 . 1 1 45 45 SER CB C 45 62.355 62.355 64.878 -2.523 19436 1419 1 5 . 1 1 45 45 SER H H 45 8.192 8.192 7.933 0.259 19436 1420 1 5 . 1 1 46 46 ASP N N 46 120.511 120.511 128.341 -7.830 19436 1421 1 5 . 1 1 46 46 ASP HA H 46 4.396 4.396 4.289 0.107 19436 1422 1 5 . 1 1 46 46 ASP C C 46 177.220 177.220 175.692 1.528 19436 1423 1 5 . 1 1 46 46 ASP CA C 46 58.113 58.113 53.206 4.907 19436 1424 1 5 . 1 1 46 46 ASP CB C 46 43.287 43.287 40.033 3.253 19436 1425 1 5 . 1 1 46 46 ASP H H 46 7.354 7.354 8.855 -1.502 19436 1426 1 5 . 1 1 47 47 ALA N N 47 120.606 120.606 118.753 1.853 19436 1427 1 5 . 1 1 47 47 ALA HA H 47 3.736 3.736 3.963 -0.227 19436 1428 1 5 . 1 1 47 47 ALA C C 47 178.603 178.603 177.235 1.368 19436 1429 1 5 . 1 1 47 47 ALA CA C 47 54.879 54.879 53.131 1.748 19436 1430 1 5 . 1 1 47 47 ALA CB C 47 19.739 19.739 16.236 3.503 19436 1431 1 5 . 1 1 47 47 ALA H H 47 7.838 7.838 7.242 0.596 19436 1432 1 5 . 1 1 48 48 ARG N N 48 116.233 116.233 118.657 -2.424 19436 1433 1 5 . 1 1 48 48 ARG HA H 48 3.796 3.796 4.653 -0.857 19436 1434 1 5 . 1 1 48 48 ARG C C 48 177.903 177.903 175.241 2.662 19436 1435 1 5 . 1 1 48 48 ARG CA C 48 61.517 61.517 56.717 4.800 19436 1436 1 5 . 1 1 48 48 ARG CB C 48 30.351 30.351 31.405 -1.054 19436 1437 1 5 . 1 1 48 48 ARG H H 48 8.060 8.060 7.917 0.143 19436 1438 1 5 . 1 1 49 49 VAL N N 49 119.026 119.026 121.133 -2.107 19436 1439 1 5 . 1 1 49 49 VAL HA H 49 3.636 3.636 4.465 -0.829 19436 1440 1 5 . 1 1 49 49 VAL C C 49 177.817 177.817 173.977 3.840 19436 1441 1 5 . 1 1 49 49 VAL CA C 49 67.018 67.018 60.283 6.735 19436 1442 1 5 . 1 1 49 49 VAL CB C 49 31.821 31.821 31.857 -0.036 19436 1443 1 5 . 1 1 49 49 VAL H H 49 7.413 7.413 7.701 -0.288 19436 1444 1 5 . 1 1 50 50 LEU HA H 50 4.113 4.113 4.619 -0.506 19436 1445 1 5 . 1 1 50 50 LEU C C 50 180.992 180.992 174.710 6.282 19436 1446 1 5 . 1 1 50 50 LEU CA C 50 58.382 58.382 53.879 4.503 19436 1447 1 5 . 1 1 50 50 LEU CB C 50 41.668 41.668 41.797 -0.129 19436 1448 1 5 . 1 1 51 51 ILE HA H 51 3.698 3.698 4.266 -0.568 19436 1449 1 5 . 1 1 51 51 ILE C C 51 178.708 178.708 175.032 3.676 19436 1450 1 5 . 1 1 51 51 ILE CA C 51 65.868 65.868 61.271 4.597 19436 1451 1 5 . 1 1 51 51 ILE CB C 51 38.755 38.755 39.155 -0.400 19436 1452 1 5 . 1 1 52 52 PHE N N 52 123.370 123.370 119.080 4.290 19436 1453 1 5 . 1 1 52 52 PHE HA H 52 4.174 4.174 4.644 -0.470 19436 1454 1 5 . 1 1 52 52 PHE C C 52 176.998 176.998 176.318 0.680 19436 1455 1 5 . 1 1 52 52 PHE CA C 52 62.566 62.566 57.734 4.832 19436 1456 1 5 . 1 1 52 52 PHE CB C 52 39.295 39.295 38.586 0.709 19436 1457 1 5 . 1 1 52 52 PHE H H 52 8.748 8.748 8.449 0.299 19436 1458 1 5 . 1 1 53 53 ASN N N 53 117.944 117.944 119.382 -1.438 19436 1459 1 5 . 1 1 53 53 ASN HA H 53 4.478 4.478 4.636 -0.158 19436 1460 1 5 . 1 1 53 53 ASN C C 53 178.706 178.706 176.373 2.333 19436 1461 1 5 . 1 1 53 53 ASN CA C 53 56.027 56.027 54.767 1.260 19436 1462 1 5 . 1 1 53 53 ASN CB C 53 37.883 37.883 38.651 -0.769 19436 1463 1 5 . 1 1 53 53 ASN H H 53 8.990 8.990 8.338 0.652 19436 1464 1 5 . 1 1 54 54 GLU N N 54 121.168 121.168 118.188 2.980 19436 1465 1 5 . 1 1 54 54 GLU HA H 54 4.123 4.123 3.972 0.151 19436 1466 1 5 . 1 1 54 54 GLU C C 54 177.753 177.753 176.012 1.741 19436 1467 1 5 . 1 1 54 54 GLU CA C 54 59.415 59.415 57.420 1.995 19436 1468 1 5 . 1 1 54 54 GLU CB C 54 30.146 30.146 28.752 1.394 19436 1469 1 5 . 1 1 54 54 GLU H H 54 8.177 8.177 8.633 -0.456 19436 1470 1 5 . 1 1 55 55 TRP N N 55 122.549 122.549 120.303 2.246 19436 1471 1 5 . 1 1 55 55 TRP HA H 55 4.018 4.018 4.239 -0.221 19436 1472 1 5 . 1 1 55 55 TRP C C 55 176.647 176.647 176.044 0.603 19436 1473 1 5 . 1 1 55 55 TRP CA C 55 61.743 61.743 58.571 3.172 19436 1474 1 5 . 1 1 55 55 TRP CB C 55 27.960 27.960 28.323 -0.363 19436 1475 1 5 . 1 1 55 55 TRP H H 55 8.160 8.160 7.953 0.207 19436 1476 1 5 . 1 1 56 56 GLU N N 56 117.397 117.397 117.772 -0.375 19436 1477 1 5 . 1 1 56 56 GLU HA H 56 2.962 2.962 4.549 -1.587 19436 1478 1 5 . 1 1 56 56 GLU C C 56 178.417 178.417 174.298 4.119 19436 1479 1 5 . 1 1 56 56 GLU CA C 56 59.739 59.739 54.789 4.950 19436 1480 1 5 . 1 1 56 56 GLU CB C 56 29.601 29.601 29.853 -0.252 19436 1481 1 5 . 1 1 56 56 GLU H H 56 8.558 8.558 8.754 -0.196 19436 1482 1 5 . 1 1 57 57 GLU HA H 57 4.049 4.049 4.507 -0.458 19436 1483 1 5 . 1 1 57 57 GLU C C 57 179.462 179.462 176.577 2.885 19436 1484 1 5 . 1 1 57 57 GLU CA C 57 58.264 58.264 56.486 1.778 19436 1485 1 5 . 1 1 57 57 GLU CB C 57 29.826 29.826 30.292 -0.466 19436 1486 1 5 . 1 1 58 58 ARG N N 58 120.321 120.321 119.182 1.139 19436 1487 1 5 . 1 1 58 58 ARG HA H 58 3.922 3.922 4.221 -0.299 19436 1488 1 5 . 1 1 58 58 ARG C C 58 178.832 178.832 174.492 4.340 19436 1489 1 5 . 1 1 58 58 ARG CA C 58 58.846 58.846 55.252 3.595 19436 1490 1 5 . 1 1 58 58 ARG H H 58 8.420 8.420 8.038 0.382 19436 1491 1 5 . 1 1 59 59 LYS N N 59 118.447 118.447 121.977 -3.530 19436 1492 1 5 . 1 1 59 59 LYS HA H 59 3.681 3.681 4.627 -0.946 19436 1493 1 5 . 1 1 59 59 LYS C C 59 176.846 176.846 174.667 2.179 19436 1494 1 5 . 1 1 59 59 LYS CA C 59 57.540 57.540 56.550 0.991 19436 1495 1 5 . 1 1 59 59 LYS CB C 59 30.572 30.572 34.051 -3.479 19436 1496 1 5 . 1 1 59 59 LYS H H 59 8.436 8.436 8.309 0.127 19436 1497 1 5 . 1 1 60 60 LYS N N 60 117.663 117.663 120.814 -3.151 19436 1498 1 5 . 1 1 60 60 LYS HA H 60 3.817 3.817 4.800 -0.983 19436 1499 1 5 . 1 1 60 60 LYS C C 60 177.762 177.762 176.148 1.614 19436 1500 1 5 . 1 1 60 60 LYS CA C 60 59.207 59.207 55.235 3.972 19436 1501 1 5 . 1 1 60 60 LYS CB C 60 32.269 32.269 34.976 -2.707 19436 1502 1 5 . 1 1 60 60 LYS H H 60 6.904 6.904 8.428 -1.524 19436 1503 1 5 . 1 1 61 61 SER N N 61 110.383 110.383 116.225 -5.842 19436 1504 1 5 . 1 1 61 61 SER HA H 61 4.527 4.527 5.071 -0.544 19436 1505 1 5 . 1 1 61 61 SER C C 61 174.006 174.006 172.934 1.072 19436 1506 1 5 . 1 1 61 61 SER CA C 61 58.671 58.671 57.153 1.518 19436 1507 1 5 . 1 1 61 61 SER CB C 61 64.444 64.444 65.285 -0.841 19436 1508 1 5 . 1 1 61 61 SER H H 61 7.381 7.381 8.485 -1.104 19436 1509 1 5 . 1 1 62 62 GLU N N 62 121.734 121.734 124.429 -2.695 19436 1510 1 5 . 1 1 62 62 GLU HA H 62 3.681 3.681 4.665 -0.984 19436 1511 1 5 . 1 1 62 62 GLU C C 62 172.751 172.751 174.826 -2.075 19436 1512 1 5 . 1 1 62 62 GLU CA C 62 52.861 52.861 55.575 -2.714 19436 1513 1 5 . 1 1 62 62 GLU CB C 62 30.206 30.206 30.625 -0.419 19436 1514 1 5 . 1 1 62 62 GLU H H 62 7.625 7.625 9.358 -1.733 19436 1515 1 5 . 1 1 63 63 PRO HA H 63 4.267 4.267 5.144 -0.877 19436 1516 1 5 . 1 1 63 63 PRO C C 63 176.541 176.541 177.112 -0.571 19436 1517 1 5 . 1 1 63 63 PRO CA C 63 64.621 64.621 61.048 3.573 19436 1518 1 5 . 1 1 63 63 PRO CB C 63 31.452 31.452 35.440 -3.988 19436 1519 1 5 . 1 1 64 64 TRP N N 64 115.298 115.298 121.002 -5.704 19436 1520 1 5 . 1 1 64 64 TRP HA H 64 4.645 4.645 4.749 -0.104 19436 1521 1 5 . 1 1 64 64 TRP C C 64 176.530 176.530 176.635 -0.105 19436 1522 1 5 . 1 1 64 64 TRP CA C 64 56.604 56.604 57.819 -1.215 19436 1523 1 5 . 1 1 64 64 TRP CB C 64 28.026 28.026 31.349 -3.322 19436 1524 1 5 . 1 1 64 64 TRP H H 64 6.837 6.837 8.551 -1.714 19436 1525 1 5 . 1 1 65 65 LEU N N 65 125.040 125.040 126.470 -1.430 19436 1526 1 5 . 1 1 65 65 LEU HA H 65 4.149 4.149 4.397 -0.248 19436 1527 1 5 . 1 1 65 65 LEU C C 65 177.528 177.528 175.530 1.998 19436 1528 1 5 . 1 1 65 65 LEU CA C 65 56.277 56.277 55.599 0.678 19436 1529 1 5 . 1 1 65 65 LEU CB C 65 43.152 43.152 42.795 0.357 19436 1530 1 5 . 1 1 65 65 LEU H H 65 7.252 7.252 8.904 -1.652 19436 1531 1 5 . 1 1 66 66 ARG N N 66 128.225 128.225 116.612 11.613 19436 1532 1 5 . 1 1 66 66 ARG HA H 66 4.578 4.578 4.476 0.102 19436 1533 1 5 . 1 1 66 66 ARG C C 66 175.757 175.757 175.767 -0.010 19436 1534 1 5 . 1 1 66 66 ARG CA C 66 55.105 55.105 54.580 0.525 19436 1535 1 5 . 1 1 66 66 ARG CB C 66 31.397 31.397 32.414 -1.017 19436 1536 1 5 . 1 1 66 66 ARG H H 66 8.892 8.892 7.910 0.982 19436 1537 1 5 . 1 1 67 67 LEU N N 67 127.896 127.896 120.892 7.004 19436 1538 1 5 . 1 1 67 67 LEU HA H 67 3.560 3.560 4.086 -0.526 19436 1539 1 5 . 1 1 67 67 LEU C C 67 175.383 175.383 175.888 -0.505 19436 1540 1 5 . 1 1 67 67 LEU CA C 67 54.595 54.595 54.435 0.160 19436 1541 1 5 . 1 1 67 67 LEU H H 67 8.328 8.328 8.361 -0.033 19436 1542 1 5 . 1 1 68 68 ASP HA H 68 4.719 4.719 4.566 0.153 19436 1543 1 5 . 1 1 68 68 ASP C C 68 174.373 174.373 175.708 -1.335 19436 1544 1 5 . 1 1 68 68 ASP CA C 68 52.936 52.936 55.744 -2.808 19436 1545 1 5 . 1 1 68 68 ASP CB C 68 41.363 41.363 40.853 0.509 19436 1546 1 5 . 1 1 69 69 MET N N 69 122.596 122.596 116.694 5.902 19436 1547 1 5 . 1 1 69 69 MET HA H 69 4.539 4.539 4.642 -0.103 19436 1548 1 5 . 1 1 69 69 MET C C 69 174.798 174.798 175.328 -0.530 19436 1549 1 5 . 1 1 69 69 MET CA C 69 53.657 53.657 53.685 -0.028 19436 1550 1 5 . 1 1 69 69 MET CB C 69 33.356 33.356 31.618 1.738 19436 1551 1 5 . 1 1 69 69 MET H H 69 8.777 8.777 7.976 0.801 19436 1552 1 5 . 1 1 70 70 SER N N 70 116.028 116.028 114.583 1.445 19436 1553 1 5 . 1 1 70 70 SER HA H 70 4.183 4.183 4.332 -0.149 19436 1554 1 5 . 1 1 70 70 SER C C 70 173.995 173.995 175.815 -1.820 19436 1555 1 5 . 1 1 70 70 SER CA C 70 58.683 58.683 59.422 -0.739 19436 1556 1 5 . 1 1 70 70 SER CB C 70 64.826 64.826 62.803 2.022 19436 1557 1 5 . 1 1 70 70 SER H H 70 8.179 8.179 7.662 0.517 19436 1558 1 5 . 1 1 71 71 ASP N N 71 121.658 121.658 123.946 -2.288 19436 1559 1 5 . 1 1 71 71 ASP HA H 71 3.788 3.788 4.235 -0.447 19436 1560 1 5 . 1 1 71 71 ASP C C 71 176.757 176.757 175.701 1.056 19436 1561 1 5 . 1 1 71 71 ASP CA C 71 57.426 57.426 54.076 3.350 19436 1562 1 5 . 1 1 71 71 ASP H H 71 8.789 8.789 9.004 -0.215 19436 1563 1 5 . 1 1 72 72 LYS N N 72 116.258 116.258 120.284 -4.026 19436 1564 1 5 . 1 1 72 72 LYS HA H 72 3.751 3.751 4.852 -1.101 19436 1565 1 5 . 1 1 72 72 LYS C C 72 178.882 178.882 174.562 4.320 19436 1566 1 5 . 1 1 72 72 LYS CA C 72 59.891 59.891 52.959 6.932 19436 1567 1 5 . 1 1 72 72 LYS CB C 72 32.195 32.195 32.765 -0.570 19436 1568 1 5 . 1 1 72 72 LYS H H 72 7.876 7.876 8.049 -0.173 19436 1569 1 5 . 1 1 73 73 ALA HA H 73 3.939 3.939 4.769 -0.830 19436 1570 1 5 . 1 1 73 73 ALA C C 73 181.112 181.112 177.388 3.724 19436 1571 1 5 . 1 1 73 73 ALA CA C 73 55.118 55.118 51.076 4.042 19436 1572 1 5 . 1 1 73 73 ALA CB C 73 17.847 17.847 19.796 -1.949 19436 1573 1 5 . 1 1 74 74 ILE N N 74 119.583 119.583 118.402 1.181 19436 1574 1 5 . 1 1 74 74 ILE HA H 74 3.477 3.477 4.261 -0.784 19436 1575 1 5 . 1 1 74 74 ILE C C 74 177.697 177.697 176.829 0.868 19436 1576 1 5 . 1 1 74 74 ILE CA C 74 66.112 66.112 62.106 4.006 19436 1577 1 5 . 1 1 74 74 ILE CB C 74 37.678 37.678 38.653 -0.975 19436 1578 1 5 . 1 1 74 74 ILE H H 74 8.119 8.119 8.283 -0.164 19436 1579 1 5 . 1 1 75 75 PHE N N 75 117.768 117.768 116.842 0.926 19436 1580 1 5 . 1 1 75 75 PHE HA H 75 4.431 4.431 4.831 -0.400 19436 1581 1 5 . 1 1 75 75 PHE C C 75 177.987 177.987 175.884 2.103 19436 1582 1 5 . 1 1 75 75 PHE CA C 75 56.968 56.968 55.812 1.156 19436 1583 1 5 . 1 1 75 75 PHE CB C 75 37.281 37.281 41.762 -4.481 19436 1584 1 5 . 1 1 75 75 PHE H H 75 8.553 8.553 8.078 0.475 19436 1585 1 5 . 1 1 76 76 ARG N N 76 117.370 117.370 120.710 -3.340 19436 1586 1 5 . 1 1 76 76 ARG HA H 76 4.059 4.059 4.001 0.058 19436 1587 1 5 . 1 1 76 76 ARG C C 76 177.520 177.520 178.478 -0.958 19436 1588 1 5 . 1 1 76 76 ARG CA C 76 58.690 58.690 59.868 -1.178 19436 1589 1 5 . 1 1 76 76 ARG CB C 76 30.417 30.417 29.909 0.508 19436 1590 1 5 . 1 1 76 76 ARG H H 76 7.532 7.532 8.828 -1.296 19436 1591 1 5 . 1 1 77 77 ARG N N 77 117.482 117.482 120.099 -2.617 19436 1592 1 5 . 1 1 77 77 ARG HA H 77 3.967 3.967 4.056 -0.089 19436 1593 1 5 . 1 1 77 77 ARG C C 77 176.168 176.168 178.012 -1.844 19436 1594 1 5 . 1 1 77 77 ARG CA C 77 57.472 57.472 59.089 -1.617 19436 1595 1 5 . 1 1 77 77 ARG CB C 77 31.746 31.746 29.727 2.019 19436 1596 1 5 . 1 1 77 77 ARG H H 77 7.222 7.222 7.894 -0.672 19436 1597 1 5 . 1 1 78 78 TYR N N 78 116.126 116.126 122.204 -6.078 19436 1598 1 5 . 1 1 78 78 TYR HA H 78 5.333 5.333 4.248 1.085 19436 1599 1 5 . 1 1 78 78 TYR C C 78 172.361 172.361 178.054 -5.693 19436 1600 1 5 . 1 1 78 78 TYR CB C 78 38.546 38.546 38.032 0.514 19436 1601 1 5 . 1 1 78 78 TYR H H 78 8.823 8.823 7.873 0.950 19436 1602 1 5 . 1 1 79 79 PRO HA H 79 4.441 4.441 3.983 0.458 19436 1603 1 5 . 1 1 79 79 PRO C C 79 178.491 178.491 179.265 -0.774 19436 1604 1 5 . 1 1 79 79 PRO CA C 79 64.854 64.854 66.243 -1.389 19436 1605 1 5 . 1 1 79 79 PRO CB C 79 31.694 31.694 31.091 0.603 19436 1606 1 5 . 1 1 80 80 HIS N N 80 115.604 115.604 117.557 -1.953 19436 1607 1 5 . 1 1 80 80 HIS HA H 80 4.549 4.549 4.233 0.316 19436 1608 1 5 . 1 1 80 80 HIS C C 80 176.202 176.202 177.583 -1.381 19436 1609 1 5 . 1 1 80 80 HIS CA C 80 58.597 58.597 59.497 -0.900 19436 1610 1 5 . 1 1 80 80 HIS CB C 80 29.685 29.685 29.805 -0.120 19436 1611 1 5 . 1 1 80 80 HIS H H 80 8.274 8.274 8.073 0.201 19436 1612 1 5 . 1 1 81 81 LEU N N 81 120.646 120.646 121.643 -0.997 19436 1613 1 5 . 1 1 81 81 LEU HA H 81 4.228 4.228 3.992 0.236 19436 1614 1 5 . 1 1 81 81 LEU C C 81 175.906 175.906 178.511 -2.605 19436 1615 1 5 . 1 1 81 81 LEU CA C 81 54.105 54.105 59.801 -5.696 19436 1616 1 5 . 1 1 81 81 LEU CB C 81 41.759 41.759 41.917 -0.158 19436 1617 1 5 . 1 1 81 81 LEU H H 81 7.609 7.609 8.342 -0.733 19436 1618 1 5 . 1 1 82 82 ARG N N 82 125.478 125.478 119.793 5.685 19436 1619 1 5 . 1 1 82 82 ARG C C 82 180.927 180.927 178.636 2.291 19436 1620 1 5 . 1 1 82 82 ARG H H 82 7.079 7.079 8.233 -1.154 19436 1621 1 6 . 1 1 2 2 PRO HA H 2 4.442 4.442 4.874 -0.432 19436 1622 1 6 . 1 1 2 2 PRO CA C 2 62.895 62.895 62.411 0.484 19436 1623 1 6 . 1 1 2 2 PRO CB C 2 31.958 31.958 33.211 -1.253 19436 1624 1 6 . 1 1 3 3 SER N N 3 117.584 117.584 116.687 0.897 19436 1625 1 6 . 1 1 3 3 SER H H 3 8.434 8.434 8.276 0.158 19436 1626 1 6 . 1 1 4 4 PRO HA H 4 4.442 4.442 5.024 -0.582 19436 1627 1 6 . 1 1 4 4 PRO C C 4 176.912 176.912 175.911 1.001 19436 1628 1 6 . 1 1 4 4 PRO CA C 4 63.325 63.325 62.127 1.198 19436 1629 1 6 . 1 1 4 4 PRO CB C 4 32.011 32.011 32.687 -0.676 19436 1630 1 6 . 1 1 5 5 LEU N N 5 121.539 121.539 123.512 -1.973 19436 1631 1 6 . 1 1 5 5 LEU HA H 5 4.344 4.344 4.777 -0.433 19436 1632 1 6 . 1 1 5 5 LEU C C 5 177.549 177.549 175.314 2.235 19436 1633 1 6 . 1 1 5 5 LEU CA C 5 55.395 55.395 54.588 0.807 19436 1634 1 6 . 1 1 5 5 LEU CB C 5 42.317 42.317 44.278 -1.961 19436 1635 1 6 . 1 1 5 5 LEU H H 5 8.281 8.281 8.851 -0.570 19436 1636 1 6 . 1 1 6 6 SER N N 6 116.435 116.435 116.710 -0.275 19436 1637 1 6 . 1 1 6 6 SER HA H 6 4.464 4.464 4.657 -0.193 19436 1638 1 6 . 1 1 6 6 SER C C 6 174.630 174.630 173.116 1.514 19436 1639 1 6 . 1 1 6 6 SER CA C 6 58.262 58.262 57.849 0.413 19436 1640 1 6 . 1 1 6 6 SER CB C 6 63.883 63.883 65.942 -2.059 19436 1641 1 6 . 1 1 6 6 SER H H 6 8.250 8.250 8.789 -0.539 19436 1642 1 6 . 1 1 7 7 SER N N 7 117.774 117.774 115.493 2.281 19436 1643 1 6 . 1 1 7 7 SER HA H 7 4.481 4.481 4.508 -0.027 19436 1644 1 6 . 1 1 7 7 SER C C 7 174.630 174.630 172.088 2.542 19436 1645 1 6 . 1 1 7 7 SER CA C 7 58.511 58.511 57.012 1.499 19436 1646 1 6 . 1 1 7 7 SER CB C 7 63.827 63.827 65.208 -1.381 19436 1647 1 6 . 1 1 7 7 SER H H 7 8.392 8.392 7.422 0.970 19436 1648 1 6 . 1 1 8 8 GLU N N 8 122.440 122.440 118.626 3.814 19436 1649 1 6 . 1 1 8 8 GLU HA H 8 4.332 4.332 4.641 -0.309 19436 1650 1 6 . 1 1 8 8 GLU C C 8 176.591 176.591 175.442 1.149 19436 1651 1 6 . 1 1 8 8 GLU CA C 8 56.846 56.846 55.913 0.933 19436 1652 1 6 . 1 1 8 8 GLU CB C 8 30.125 30.125 31.725 -1.600 19436 1653 1 6 . 1 1 8 8 GLU H H 8 8.458 8.458 8.712 -0.254 19436 1654 1 6 . 1 1 9 9 SER N N 9 116.179 116.179 117.648 -1.469 19436 1655 1 6 . 1 1 9 9 SER HA H 9 4.449 4.449 4.712 -0.263 19436 1656 1 6 . 1 1 9 9 SER C C 9 174.763 174.763 173.082 1.681 19436 1657 1 6 . 1 1 9 9 SER CA C 9 58.455 58.455 58.205 0.250 19436 1658 1 6 . 1 1 9 9 SER CB C 9 64.002 64.002 64.709 -0.707 19436 1659 1 6 . 1 1 9 9 SER H H 9 8.280 8.280 8.823 -0.543 19436 1660 1 6 . 1 1 10 10 GLU N N 10 122.989 122.989 124.514 -1.525 19436 1661 1 6 . 1 1 10 10 GLU HA H 10 4.212 4.212 4.319 -0.107 19436 1662 1 6 . 1 1 10 10 GLU C C 10 176.344 176.344 174.731 1.613 19436 1663 1 6 . 1 1 10 10 GLU CA C 10 56.967 56.967 55.611 1.356 19436 1664 1 6 . 1 1 10 10 GLU CB C 10 30.176 30.176 31.953 -1.777 19436 1665 1 6 . 1 1 10 10 GLU H H 10 8.488 8.488 8.210 0.278 19436 1666 1 6 . 1 1 29 29 ALA N N 29 126.204 126.204 123.758 2.446 19436 1667 1 6 . 1 1 29 29 ALA HA H 29 4.487 4.487 4.486 0.001 19436 1668 1 6 . 1 1 29 29 ALA C C 29 176.100 176.100 175.904 0.196 19436 1669 1 6 . 1 1 29 29 ALA CA C 29 51.192 51.192 51.965 -0.773 19436 1670 1 6 . 1 1 29 29 ALA CB C 29 20.176 20.176 20.690 -0.514 19436 1671 1 6 . 1 1 29 29 ALA H H 29 8.570 8.570 8.046 0.524 19436 1672 1 6 . 1 1 30 30 ALA N N 30 128.202 128.202 128.074 0.128 19436 1673 1 6 . 1 1 30 30 ALA HA H 30 4.303 4.303 5.073 -0.770 19436 1674 1 6 . 1 1 30 30 ALA C C 30 176.096 176.096 175.798 0.298 19436 1675 1 6 . 1 1 30 30 ALA CA C 30 51.956 51.956 51.438 0.518 19436 1676 1 6 . 1 1 30 30 ALA CB C 30 18.945 18.945 21.566 -2.621 19436 1677 1 6 . 1 1 30 30 ALA H H 30 8.665 8.665 8.391 0.274 19436 1678 1 6 . 1 1 31 31 LEU N N 31 120.119 120.119 122.151 -2.032 19436 1679 1 6 . 1 1 31 31 LEU HA H 31 4.897 4.897 4.979 -0.082 19436 1680 1 6 . 1 1 31 31 LEU C C 31 178.865 178.865 175.496 3.369 19436 1681 1 6 . 1 1 31 31 LEU CA C 31 52.051 52.051 55.750 -3.699 19436 1682 1 6 . 1 1 31 31 LEU CB C 31 44.147 44.147 44.315 -0.168 19436 1683 1 6 . 1 1 31 31 LEU H H 31 8.034 8.034 9.168 -1.134 19436 1684 1 6 . 1 1 32 32 HIS N N 32 122.302 122.302 121.708 0.594 19436 1685 1 6 . 1 1 32 32 HIS HA H 32 4.186 4.186 3.915 0.271 19436 1686 1 6 . 1 1 32 32 HIS C C 32 177.524 177.524 172.337 5.187 19436 1687 1 6 . 1 1 32 32 HIS H H 32 8.573 8.573 7.310 1.263 19436 1688 1 6 . 1 1 33 33 ALA HA H 33 4.411 4.411 4.714 -0.303 19436 1689 1 6 . 1 1 33 33 ALA CA C 33 53.433 53.433 51.151 2.282 19436 1690 1 6 . 1 1 33 33 ALA CB C 33 20.342 20.342 20.195 0.147 19436 1691 1 6 . 1 1 34 34 GLU HA H 34 4.684 4.684 4.693 -0.009 19436 1692 1 6 . 1 1 34 34 GLU CA C 34 54.841 54.841 56.333 -1.492 19436 1693 1 6 . 1 1 34 34 GLU CB C 34 33.102 33.102 30.736 2.366 19436 1694 1 6 . 1 1 35 35 GLY N N 35 108.193 108.193 109.352 -1.159 19436 1695 1 6 . 1 1 35 35 GLY H H 35 8.661 8.661 8.244 0.417 19436 1696 1 6 . 1 1 36 36 PRO HA H 36 4.278 4.278 4.509 -0.231 19436 1697 1 6 . 1 1 36 36 PRO C C 36 177.885 177.885 175.769 2.116 19436 1698 1 6 . 1 1 36 36 PRO CA C 36 64.598 64.598 63.338 1.260 19436 1699 1 6 . 1 1 36 36 PRO CB C 36 31.945 31.945 32.289 -0.344 19436 1700 1 6 . 1 1 37 37 LEU N N 37 117.378 117.378 122.828 -5.450 19436 1701 1 6 . 1 1 37 37 LEU HA H 37 4.256 4.256 4.696 -0.440 19436 1702 1 6 . 1 1 37 37 LEU C C 37 174.928 174.928 176.889 -1.961 19436 1703 1 6 . 1 1 37 37 LEU CA C 37 52.682 52.682 53.961 -1.279 19436 1704 1 6 . 1 1 37 37 LEU CB C 37 40.999 40.999 44.295 -3.296 19436 1705 1 6 . 1 1 37 37 LEU H H 37 8.557 8.557 8.131 0.426 19436 1706 1 6 . 1 1 38 38 ALA N N 38 120.501 120.501 123.870 -3.369 19436 1707 1 6 . 1 1 38 38 ALA HA H 38 3.476 3.476 4.476 -1.000 19436 1708 1 6 . 1 1 38 38 ALA C C 38 178.760 178.760 176.794 1.966 19436 1709 1 6 . 1 1 38 38 ALA CA C 38 53.756 53.756 51.624 2.132 19436 1710 1 6 . 1 1 38 38 ALA CB C 38 17.949 17.949 19.852 -1.903 19436 1711 1 6 . 1 1 38 38 ALA H H 38 7.202 7.202 8.352 -1.150 19436 1712 1 6 . 1 1 39 39 GLY N N 39 108.963 108.963 107.889 1.074 19436 1713 1 6 . 1 1 39 39 GLY C C 39 173.272 173.272 174.773 -1.501 19436 1714 1 6 . 1 1 39 39 GLY CA C 39 45.183 45.183 45.399 -0.216 19436 1715 1 6 . 1 1 39 39 GLY H H 39 8.942 8.942 8.395 0.547 19436 1716 1 6 . 1 1 40 40 LEU N N 40 120.080 120.080 122.455 -2.375 19436 1717 1 6 . 1 1 40 40 LEU HA H 40 4.830 4.830 4.731 0.099 19436 1718 1 6 . 1 1 40 40 LEU C C 40 174.422 174.422 176.548 -2.126 19436 1719 1 6 . 1 1 40 40 LEU CB C 40 41.282 41.282 42.485 -1.203 19436 1720 1 6 . 1 1 40 40 LEU H H 40 8.216 8.216 8.439 -0.223 19436 1721 1 6 . 1 1 41 41 PRO HA H 41 4.803 4.803 4.458 0.345 19436 1722 1 6 . 1 1 41 41 PRO CA C 41 61.528 61.528 64.309 -2.781 19436 1723 1 6 . 1 1 41 41 PRO CB C 41 31.384 31.384 32.018 -0.634 19436 1724 1 6 . 1 1 42 42 VAL N N 42 121.846 121.846 118.273 3.573 19436 1725 1 6 . 1 1 42 42 VAL HA H 42 3.510 3.510 3.973 -0.463 19436 1726 1 6 . 1 1 42 42 VAL CA C 42 65.888 65.888 63.979 1.909 19436 1727 1 6 . 1 1 42 42 VAL CB C 42 31.208 31.208 29.786 1.422 19436 1728 1 6 . 1 1 42 42 VAL H H 42 7.784 7.784 8.609 -0.825 19436 1729 1 6 . 1 1 43 43 THR N N 43 109.158 109.158 113.147 -3.989 19436 1730 1 6 . 1 1 43 43 THR HA H 43 4.996 4.996 4.317 0.679 19436 1731 1 6 . 1 1 43 43 THR CA C 43 59.964 59.964 64.678 -4.714 19436 1732 1 6 . 1 1 43 43 THR CB C 43 12.133 12.133 69.321 -57.188 19436 1733 1 6 . 1 1 43 43 THR H H 43 8.911 8.911 8.113 0.798 19436 1734 1 6 . 1 1 44 44 ARG N N 44 120.175 120.175 115.845 4.330 19436 1735 1 6 . 1 1 44 44 ARG HA H 44 3.936 3.936 4.477 -0.541 19436 1736 1 6 . 1 1 44 44 ARG CA C 44 60.596 60.596 55.962 4.634 19436 1737 1 6 . 1 1 44 44 ARG CB C 44 29.617 29.617 30.722 -1.105 19436 1738 1 6 . 1 1 44 44 ARG H H 44 9.305 9.305 8.416 0.889 19436 1739 1 6 . 1 1 45 45 SER N N 45 114.367 114.367 116.505 -2.138 19436 1740 1 6 . 1 1 45 45 SER HA H 45 4.118 4.118 4.578 -0.460 19436 1741 1 6 . 1 1 45 45 SER CA C 45 62.355 62.355 57.653 4.702 19436 1742 1 6 . 1 1 45 45 SER CB C 45 62.355 62.355 65.580 -3.225 19436 1743 1 6 . 1 1 45 45 SER H H 45 8.192 8.192 7.489 0.703 19436 1744 1 6 . 1 1 46 46 ASP N N 46 120.511 120.511 124.595 -4.084 19436 1745 1 6 . 1 1 46 46 ASP HA H 46 4.396 4.396 4.278 0.118 19436 1746 1 6 . 1 1 46 46 ASP C C 46 177.220 177.220 176.361 0.859 19436 1747 1 6 . 1 1 46 46 ASP CA C 46 58.113 58.113 54.855 3.258 19436 1748 1 6 . 1 1 46 46 ASP CB C 46 43.287 43.287 40.747 2.540 19436 1749 1 6 . 1 1 46 46 ASP H H 46 7.354 7.354 8.964 -1.610 19436 1750 1 6 . 1 1 47 47 ALA N N 47 120.606 120.606 122.808 -2.202 19436 1751 1 6 . 1 1 47 47 ALA HA H 47 3.736 3.736 4.073 -0.337 19436 1752 1 6 . 1 1 47 47 ALA C C 47 178.603 178.603 178.589 0.014 19436 1753 1 6 . 1 1 47 47 ALA CA C 47 54.879 54.879 54.816 0.063 19436 1754 1 6 . 1 1 47 47 ALA CB C 47 19.739 19.739 19.283 0.456 19436 1755 1 6 . 1 1 47 47 ALA H H 47 7.838 7.838 8.271 -0.433 19436 1756 1 6 . 1 1 48 48 ARG N N 48 116.233 116.233 119.325 -3.092 19436 1757 1 6 . 1 1 48 48 ARG HA H 48 3.796 3.796 4.507 -0.711 19436 1758 1 6 . 1 1 48 48 ARG C C 48 177.903 177.903 174.686 3.217 19436 1759 1 6 . 1 1 48 48 ARG CA C 48 61.517 61.517 56.310 5.207 19436 1760 1 6 . 1 1 48 48 ARG CB C 48 30.351 30.351 30.616 -0.265 19436 1761 1 6 . 1 1 48 48 ARG H H 48 8.060 8.060 7.927 0.133 19436 1762 1 6 . 1 1 49 49 VAL N N 49 119.026 119.026 118.613 0.413 19436 1763 1 6 . 1 1 49 49 VAL HA H 49 3.636 3.636 4.503 -0.867 19436 1764 1 6 . 1 1 49 49 VAL C C 49 177.817 177.817 174.510 3.307 19436 1765 1 6 . 1 1 49 49 VAL CA C 49 67.018 67.018 59.959 7.059 19436 1766 1 6 . 1 1 49 49 VAL CB C 49 31.821 31.821 31.527 0.294 19436 1767 1 6 . 1 1 49 49 VAL H H 49 7.413 7.413 8.113 -0.700 19436 1768 1 6 . 1 1 50 50 LEU HA H 50 4.113 4.113 4.883 -0.770 19436 1769 1 6 . 1 1 50 50 LEU C C 50 180.992 180.992 174.657 6.335 19436 1770 1 6 . 1 1 50 50 LEU CA C 50 58.382 58.382 53.804 4.577 19436 1771 1 6 . 1 1 50 50 LEU CB C 50 41.668 41.668 42.200 -0.533 19436 1772 1 6 . 1 1 51 51 ILE HA H 51 3.698 3.698 4.355 -0.657 19436 1773 1 6 . 1 1 51 51 ILE C C 51 178.708 178.708 174.519 4.189 19436 1774 1 6 . 1 1 51 51 ILE CA C 51 65.868 65.868 61.038 4.830 19436 1775 1 6 . 1 1 51 51 ILE CB C 51 38.755 38.755 39.083 -0.328 19436 1776 1 6 . 1 1 52 52 PHE N N 52 123.370 123.370 119.236 4.134 19436 1777 1 6 . 1 1 52 52 PHE HA H 52 4.174 4.174 4.734 -0.560 19436 1778 1 6 . 1 1 52 52 PHE C C 52 176.998 176.998 174.301 2.697 19436 1779 1 6 . 1 1 52 52 PHE CA C 52 62.566 62.566 57.365 5.201 19436 1780 1 6 . 1 1 52 52 PHE CB C 52 39.295 39.295 40.663 -1.368 19436 1781 1 6 . 1 1 52 52 PHE H H 52 8.748 8.748 8.336 0.412 19436 1782 1 6 . 1 1 53 53 ASN N N 53 117.944 117.944 119.260 -1.316 19436 1783 1 6 . 1 1 53 53 ASN HA H 53 4.478 4.478 4.907 -0.429 19436 1784 1 6 . 1 1 53 53 ASN C C 53 178.706 178.706 174.171 4.535 19436 1785 1 6 . 1 1 53 53 ASN CA C 53 56.027 56.027 52.840 3.188 19436 1786 1 6 . 1 1 53 53 ASN CB C 53 37.883 37.883 40.644 -2.761 19436 1787 1 6 . 1 1 53 53 ASN H H 53 8.990 8.990 8.564 0.426 19436 1788 1 6 . 1 1 54 54 GLU N N 54 121.168 121.168 120.041 1.127 19436 1789 1 6 . 1 1 54 54 GLU HA H 54 4.123 4.123 4.592 -0.469 19436 1790 1 6 . 1 1 54 54 GLU C C 54 177.753 177.753 175.529 2.224 19436 1791 1 6 . 1 1 54 54 GLU CA C 54 59.415 59.415 55.594 3.821 19436 1792 1 6 . 1 1 54 54 GLU CB C 54 30.146 30.146 31.421 -1.275 19436 1793 1 6 . 1 1 54 54 GLU H H 54 8.177 8.177 8.430 -0.253 19436 1794 1 6 . 1 1 55 55 TRP N N 55 122.549 122.549 123.640 -1.091 19436 1795 1 6 . 1 1 55 55 TRP HA H 55 4.018 4.018 4.428 -0.410 19436 1796 1 6 . 1 1 55 55 TRP C C 55 176.647 176.647 175.172 1.475 19436 1797 1 6 . 1 1 55 55 TRP CA C 55 61.743 61.743 58.742 3.001 19436 1798 1 6 . 1 1 55 55 TRP CB C 55 27.960 27.960 27.685 0.275 19436 1799 1 6 . 1 1 55 55 TRP H H 55 8.160 8.160 8.673 -0.513 19436 1800 1 6 . 1 1 56 56 GLU N N 56 117.397 117.397 118.155 -0.758 19436 1801 1 6 . 1 1 56 56 GLU HA H 56 2.962 2.962 4.546 -1.584 19436 1802 1 6 . 1 1 56 56 GLU C C 56 178.417 178.417 174.393 4.024 19436 1803 1 6 . 1 1 56 56 GLU CA C 56 59.739 59.739 53.801 5.938 19436 1804 1 6 . 1 1 56 56 GLU CB C 56 29.601 29.601 29.374 0.227 19436 1805 1 6 . 1 1 56 56 GLU H H 56 8.558 8.558 8.422 0.136 19436 1806 1 6 . 1 1 57 57 GLU HA H 57 4.049 4.049 4.342 -0.293 19436 1807 1 6 . 1 1 57 57 GLU C C 57 179.462 179.462 177.210 2.252 19436 1808 1 6 . 1 1 57 57 GLU CA C 57 58.264 58.264 56.309 1.955 19436 1809 1 6 . 1 1 57 57 GLU CB C 57 29.826 29.826 30.072 -0.246 19436 1810 1 6 . 1 1 58 58 ARG N N 58 120.321 120.321 120.192 0.129 19436 1811 1 6 . 1 1 58 58 ARG HA H 58 3.922 3.922 4.060 -0.138 19436 1812 1 6 . 1 1 58 58 ARG C C 58 178.832 178.832 175.736 3.096 19436 1813 1 6 . 1 1 58 58 ARG CA C 58 58.846 58.846 56.134 2.712 19436 1814 1 6 . 1 1 58 58 ARG H H 58 8.420 8.420 8.502 -0.082 19436 1815 1 6 . 1 1 59 59 LYS N N 59 118.447 118.447 119.666 -1.219 19436 1816 1 6 . 1 1 59 59 LYS HA H 59 3.681 3.681 4.250 -0.569 19436 1817 1 6 . 1 1 59 59 LYS C C 59 176.846 176.846 175.775 1.071 19436 1818 1 6 . 1 1 59 59 LYS CA C 59 57.540 57.540 56.890 0.650 19436 1819 1 6 . 1 1 59 59 LYS CB C 59 30.572 30.572 32.429 -1.857 19436 1820 1 6 . 1 1 59 59 LYS H H 59 8.436 8.436 8.118 0.318 19436 1821 1 6 . 1 1 60 60 LYS N N 60 117.663 117.663 122.568 -4.905 19436 1822 1 6 . 1 1 60 60 LYS HA H 60 3.817 3.817 4.657 -0.840 19436 1823 1 6 . 1 1 60 60 LYS C C 60 177.762 177.762 175.666 2.096 19436 1824 1 6 . 1 1 60 60 LYS CA C 60 59.207 59.207 55.354 3.853 19436 1825 1 6 . 1 1 60 60 LYS CB C 60 32.269 32.269 35.840 -3.571 19436 1826 1 6 . 1 1 60 60 LYS H H 60 6.904 6.904 8.475 -1.571 19436 1827 1 6 . 1 1 61 61 SER N N 61 110.383 110.383 115.740 -5.357 19436 1828 1 6 . 1 1 61 61 SER HA H 61 4.527 4.527 5.090 -0.563 19436 1829 1 6 . 1 1 61 61 SER C C 61 174.006 174.006 173.116 0.890 19436 1830 1 6 . 1 1 61 61 SER CA C 61 58.671 58.671 57.082 1.589 19436 1831 1 6 . 1 1 61 61 SER CB C 61 64.444 64.444 64.929 -0.485 19436 1832 1 6 . 1 1 61 61 SER H H 61 7.381 7.381 8.420 -1.039 19436 1833 1 6 . 1 1 62 62 GLU N N 62 121.734 121.734 124.810 -3.076 19436 1834 1 6 . 1 1 62 62 GLU HA H 62 3.681 3.681 4.628 -0.947 19436 1835 1 6 . 1 1 62 62 GLU C C 62 172.751 172.751 174.786 -2.035 19436 1836 1 6 . 1 1 62 62 GLU CA C 62 52.861 52.861 55.636 -2.775 19436 1837 1 6 . 1 1 62 62 GLU CB C 62 30.206 30.206 30.643 -0.437 19436 1838 1 6 . 1 1 62 62 GLU H H 62 7.625 7.625 9.322 -1.698 19436 1839 1 6 . 1 1 63 63 PRO HA H 63 4.267 4.267 5.129 -0.862 19436 1840 1 6 . 1 1 63 63 PRO C C 63 176.541 176.541 177.051 -0.510 19436 1841 1 6 . 1 1 63 63 PRO CA C 63 64.621 64.621 61.073 3.548 19436 1842 1 6 . 1 1 63 63 PRO CB C 63 31.452 31.452 35.544 -4.092 19436 1843 1 6 . 1 1 64 64 TRP N N 64 115.298 115.298 120.859 -5.561 19436 1844 1 6 . 1 1 64 64 TRP HA H 64 4.645 4.645 4.772 -0.127 19436 1845 1 6 . 1 1 64 64 TRP C C 64 176.530 176.530 176.602 -0.072 19436 1846 1 6 . 1 1 64 64 TRP CA C 64 56.604 56.604 57.727 -1.123 19436 1847 1 6 . 1 1 64 64 TRP CB C 64 28.026 28.026 31.529 -3.503 19436 1848 1 6 . 1 1 64 64 TRP H H 64 6.837 6.837 8.572 -1.735 19436 1849 1 6 . 1 1 65 65 LEU N N 65 125.040 125.040 125.859 -0.819 19436 1850 1 6 . 1 1 65 65 LEU HA H 65 4.149 4.149 4.434 -0.285 19436 1851 1 6 . 1 1 65 65 LEU C C 65 177.528 177.528 175.438 2.090 19436 1852 1 6 . 1 1 65 65 LEU CA C 65 56.277 56.277 55.371 0.906 19436 1853 1 6 . 1 1 65 65 LEU CB C 65 43.152 43.152 42.855 0.297 19436 1854 1 6 . 1 1 65 65 LEU H H 65 7.252 7.252 8.878 -1.626 19436 1855 1 6 . 1 1 66 66 ARG N N 66 128.225 128.225 117.039 11.186 19436 1856 1 6 . 1 1 66 66 ARG HA H 66 4.578 4.578 4.486 0.092 19436 1857 1 6 . 1 1 66 66 ARG C C 66 175.757 175.757 175.803 -0.046 19436 1858 1 6 . 1 1 66 66 ARG CA C 66 55.105 55.105 54.572 0.533 19436 1859 1 6 . 1 1 66 66 ARG CB C 66 31.397 31.397 32.450 -1.052 19436 1860 1 6 . 1 1 66 66 ARG H H 66 8.892 8.892 7.901 0.991 19436 1861 1 6 . 1 1 67 67 LEU N N 67 127.896 127.896 121.141 6.755 19436 1862 1 6 . 1 1 67 67 LEU HA H 67 3.560 3.560 4.077 -0.517 19436 1863 1 6 . 1 1 67 67 LEU C C 67 175.383 175.383 175.933 -0.550 19436 1864 1 6 . 1 1 67 67 LEU CA C 67 54.595 54.595 54.511 0.084 19436 1865 1 6 . 1 1 67 67 LEU H H 67 8.328 8.328 8.383 -0.055 19436 1866 1 6 . 1 1 68 68 ASP HA H 68 4.719 4.719 4.595 0.124 19436 1867 1 6 . 1 1 68 68 ASP C C 68 174.373 174.373 175.922 -1.549 19436 1868 1 6 . 1 1 68 68 ASP CA C 68 52.936 52.936 55.666 -2.731 19436 1869 1 6 . 1 1 68 68 ASP CB C 68 41.363 41.363 40.808 0.555 19436 1870 1 6 . 1 1 69 69 MET N N 69 122.596 122.596 116.808 5.788 19436 1871 1 6 . 1 1 69 69 MET HA H 69 4.539 4.539 4.640 -0.101 19436 1872 1 6 . 1 1 69 69 MET C C 69 174.798 174.798 175.529 -0.731 19436 1873 1 6 . 1 1 69 69 MET CA C 69 53.657 53.657 54.053 -0.396 19436 1874 1 6 . 1 1 69 69 MET CB C 69 33.356 33.356 31.859 1.497 19436 1875 1 6 . 1 1 69 69 MET H H 69 8.777 8.777 7.966 0.811 19436 1876 1 6 . 1 1 70 70 SER N N 70 116.028 116.028 114.881 1.147 19436 1877 1 6 . 1 1 70 70 SER HA H 70 4.183 4.183 4.409 -0.226 19436 1878 1 6 . 1 1 70 70 SER C C 70 173.995 173.995 175.619 -1.624 19436 1879 1 6 . 1 1 70 70 SER CA C 70 58.683 58.683 59.419 -0.736 19436 1880 1 6 . 1 1 70 70 SER CB C 70 64.826 64.826 62.906 1.921 19436 1881 1 6 . 1 1 70 70 SER H H 70 8.179 8.179 7.648 0.531 19436 1882 1 6 . 1 1 71 71 ASP N N 71 121.658 121.658 124.860 -3.202 19436 1883 1 6 . 1 1 71 71 ASP HA H 71 3.788 3.788 4.336 -0.548 19436 1884 1 6 . 1 1 71 71 ASP C C 71 176.757 176.757 176.014 0.743 19436 1885 1 6 . 1 1 71 71 ASP CA C 71 57.426 57.426 54.083 3.343 19436 1886 1 6 . 1 1 71 71 ASP H H 71 8.789 8.789 8.954 -0.165 19436 1887 1 6 . 1 1 72 72 LYS N N 72 116.258 116.258 120.275 -4.017 19436 1888 1 6 . 1 1 72 72 LYS HA H 72 3.751 3.751 4.856 -1.105 19436 1889 1 6 . 1 1 72 72 LYS C C 72 178.882 178.882 174.551 4.331 19436 1890 1 6 . 1 1 72 72 LYS CA C 72 59.891 59.891 52.961 6.930 19436 1891 1 6 . 1 1 72 72 LYS CB C 72 32.195 32.195 32.895 -0.700 19436 1892 1 6 . 1 1 72 72 LYS H H 72 7.876 7.876 8.070 -0.194 19436 1893 1 6 . 1 1 73 73 ALA HA H 73 3.939 3.939 4.809 -0.870 19436 1894 1 6 . 1 1 73 73 ALA C C 73 181.112 181.112 177.249 3.863 19436 1895 1 6 . 1 1 73 73 ALA CA C 73 55.118 55.118 51.141 3.978 19436 1896 1 6 . 1 1 73 73 ALA CB C 73 17.847 17.847 19.880 -2.033 19436 1897 1 6 . 1 1 74 74 ILE N N 74 119.583 119.583 117.288 2.295 19436 1898 1 6 . 1 1 74 74 ILE HA H 74 3.477 3.477 4.407 -0.930 19436 1899 1 6 . 1 1 74 74 ILE C C 74 177.697 177.697 176.363 1.334 19436 1900 1 6 . 1 1 74 74 ILE CA C 74 66.112 66.112 61.744 4.368 19436 1901 1 6 . 1 1 74 74 ILE CB C 74 37.678 37.678 39.019 -1.341 19436 1902 1 6 . 1 1 74 74 ILE H H 74 8.119 8.119 8.139 -0.020 19436 1903 1 6 . 1 1 75 75 PHE N N 75 117.768 117.768 114.542 3.226 19436 1904 1 6 . 1 1 75 75 PHE HA H 75 4.431 4.431 4.806 -0.375 19436 1905 1 6 . 1 1 75 75 PHE C C 75 177.987 177.987 176.032 1.955 19436 1906 1 6 . 1 1 75 75 PHE CA C 75 56.968 56.968 54.941 2.027 19436 1907 1 6 . 1 1 75 75 PHE CB C 75 37.281 37.281 42.222 -4.941 19436 1908 1 6 . 1 1 75 75 PHE H H 75 8.553 8.553 8.146 0.407 19436 1909 1 6 . 1 1 76 76 ARG N N 76 117.370 117.370 122.031 -4.661 19436 1910 1 6 . 1 1 76 76 ARG HA H 76 4.059 4.059 4.067 -0.008 19436 1911 1 6 . 1 1 76 76 ARG C C 76 177.520 177.520 177.956 -0.436 19436 1912 1 6 . 1 1 76 76 ARG CA C 76 58.690 58.690 60.120 -1.431 19436 1913 1 6 . 1 1 76 76 ARG CB C 76 30.417 30.417 30.137 0.279 19436 1914 1 6 . 1 1 76 76 ARG H H 76 7.532 7.532 8.789 -1.257 19436 1915 1 6 . 1 1 77 77 ARG N N 77 117.482 117.482 119.881 -2.399 19436 1916 1 6 . 1 1 77 77 ARG HA H 77 3.967 3.967 4.011 -0.044 19436 1917 1 6 . 1 1 77 77 ARG C C 77 176.168 176.168 178.214 -2.046 19436 1918 1 6 . 1 1 77 77 ARG CA C 77 57.472 57.472 59.495 -2.023 19436 1919 1 6 . 1 1 77 77 ARG CB C 77 31.746 31.746 29.744 2.002 19436 1920 1 6 . 1 1 77 77 ARG H H 77 7.222 7.222 8.339 -1.117 19436 1921 1 6 . 1 1 78 78 TYR N N 78 116.126 116.126 122.488 -6.362 19436 1922 1 6 . 1 1 78 78 TYR HA H 78 5.333 5.333 4.271 1.062 19436 1923 1 6 . 1 1 78 78 TYR C C 78 172.361 172.361 178.021 -5.660 19436 1924 1 6 . 1 1 78 78 TYR CB C 78 38.546 38.546 38.001 0.545 19436 1925 1 6 . 1 1 78 78 TYR H H 78 8.823 8.823 7.761 1.062 19436 1926 1 6 . 1 1 79 79 PRO HA H 79 4.441 4.441 3.992 0.449 19436 1927 1 6 . 1 1 79 79 PRO C C 79 178.491 178.491 179.310 -0.819 19436 1928 1 6 . 1 1 79 79 PRO CA C 79 64.854 64.854 66.152 -1.298 19436 1929 1 6 . 1 1 79 79 PRO CB C 79 31.694 31.694 31.058 0.636 19436 1930 1 6 . 1 1 80 80 HIS N N 80 115.604 115.604 117.467 -1.863 19436 1931 1 6 . 1 1 80 80 HIS HA H 80 4.549 4.549 4.243 0.306 19436 1932 1 6 . 1 1 80 80 HIS C C 80 176.202 176.202 177.555 -1.353 19436 1933 1 6 . 1 1 80 80 HIS CA C 80 58.597 58.597 59.495 -0.897 19436 1934 1 6 . 1 1 80 80 HIS CB C 80 29.685 29.685 29.866 -0.181 19436 1935 1 6 . 1 1 80 80 HIS H H 80 8.274 8.274 8.152 0.122 19436 1936 1 6 . 1 1 81 81 LEU N N 81 120.646 120.646 121.776 -1.130 19436 1937 1 6 . 1 1 81 81 LEU HA H 81 4.228 4.228 3.986 0.242 19436 1938 1 6 . 1 1 81 81 LEU C C 81 175.906 175.906 178.456 -2.550 19436 1939 1 6 . 1 1 81 81 LEU CA C 81 54.105 54.105 59.785 -5.680 19436 1940 1 6 . 1 1 81 81 LEU CB C 81 41.759 41.759 41.898 -0.139 19436 1941 1 6 . 1 1 81 81 LEU H H 81 7.609 7.609 8.326 -0.717 19436 1942 1 6 . 1 1 82 82 ARG N N 82 125.478 125.478 119.681 5.797 19436 1943 1 6 . 1 1 82 82 ARG C C 82 180.927 180.927 178.653 2.274 19436 1944 1 6 . 1 1 82 82 ARG H H 82 7.079 7.079 8.211 -1.132 19436 1945 1 7 . 1 1 2 2 PRO HA H 2 4.442 4.442 4.833 -0.391 19436 1946 1 7 . 1 1 2 2 PRO CA C 2 62.895 62.895 62.454 0.441 19436 1947 1 7 . 1 1 2 2 PRO CB C 2 31.958 31.958 33.191 -1.233 19436 1948 1 7 . 1 1 3 3 SER N N 3 117.584 117.584 116.585 0.999 19436 1949 1 7 . 1 1 3 3 SER H H 3 8.434 8.434 8.887 -0.453 19436 1950 1 7 . 1 1 4 4 PRO HA H 4 4.442 4.442 5.181 -0.739 19436 1951 1 7 . 1 1 4 4 PRO C C 4 176.912 176.912 176.258 0.654 19436 1952 1 7 . 1 1 4 4 PRO CA C 4 63.325 63.325 62.476 0.849 19436 1953 1 7 . 1 1 4 4 PRO CB C 4 32.011 32.011 33.445 -1.434 19436 1954 1 7 . 1 1 5 5 LEU N N 5 121.539 121.539 121.018 0.521 19436 1955 1 7 . 1 1 5 5 LEU HA H 5 4.344 4.344 4.944 -0.600 19436 1956 1 7 . 1 1 5 5 LEU C C 5 177.549 177.549 174.848 2.701 19436 1957 1 7 . 1 1 5 5 LEU CA C 5 55.395 55.395 54.239 1.156 19436 1958 1 7 . 1 1 5 5 LEU CB C 5 42.317 42.317 43.943 -1.626 19436 1959 1 7 . 1 1 5 5 LEU H H 5 8.281 8.281 8.558 -0.277 19436 1960 1 7 . 1 1 6 6 SER N N 6 116.435 116.435 117.486 -1.051 19436 1961 1 7 . 1 1 6 6 SER HA H 6 4.464 4.464 4.690 -0.226 19436 1962 1 7 . 1 1 6 6 SER C C 6 174.630 174.630 172.755 1.875 19436 1963 1 7 . 1 1 6 6 SER CA C 6 58.262 58.262 57.591 0.671 19436 1964 1 7 . 1 1 6 6 SER CB C 6 63.883 63.883 65.671 -1.788 19436 1965 1 7 . 1 1 6 6 SER H H 6 8.250 8.250 9.480 -1.230 19436 1966 1 7 . 1 1 7 7 SER N N 7 117.774 117.774 118.354 -0.580 19436 1967 1 7 . 1 1 7 7 SER HA H 7 4.481 4.481 4.664 -0.183 19436 1968 1 7 . 1 1 7 7 SER C C 7 174.630 174.630 172.109 2.521 19436 1969 1 7 . 1 1 7 7 SER CA C 7 58.511 58.511 57.308 1.203 19436 1970 1 7 . 1 1 7 7 SER CB C 7 63.827 63.827 66.446 -2.619 19436 1971 1 7 . 1 1 7 7 SER H H 7 8.392 8.392 8.162 0.230 19436 1972 1 7 . 1 1 8 8 GLU N N 8 122.440 122.440 121.481 0.959 19436 1973 1 7 . 1 1 8 8 GLU HA H 8 4.332 4.332 4.467 -0.135 19436 1974 1 7 . 1 1 8 8 GLU C C 8 176.591 176.591 174.843 1.748 19436 1975 1 7 . 1 1 8 8 GLU CA C 8 56.846 56.846 56.068 0.778 19436 1976 1 7 . 1 1 8 8 GLU CB C 8 30.125 30.125 32.959 -2.834 19436 1977 1 7 . 1 1 8 8 GLU H H 8 8.458 8.458 9.401 -0.943 19436 1978 1 7 . 1 1 9 9 SER N N 9 116.179 116.179 115.929 0.250 19436 1979 1 7 . 1 1 9 9 SER HA H 9 4.449 4.449 4.787 -0.338 19436 1980 1 7 . 1 1 9 9 SER C C 9 174.763 174.763 172.159 2.604 19436 1981 1 7 . 1 1 9 9 SER CA C 9 58.455 58.455 57.228 1.227 19436 1982 1 7 . 1 1 9 9 SER CB C 9 64.002 64.002 65.402 -1.400 19436 1983 1 7 . 1 1 9 9 SER H H 9 8.280 8.280 7.720 0.560 19436 1984 1 7 . 1 1 10 10 GLU N N 10 122.989 122.989 119.386 3.603 19436 1985 1 7 . 1 1 10 10 GLU HA H 10 4.212 4.212 4.974 -0.762 19436 1986 1 7 . 1 1 10 10 GLU C C 10 176.344 176.344 176.012 0.332 19436 1987 1 7 . 1 1 10 10 GLU CA C 10 56.967 56.967 56.279 0.688 19436 1988 1 7 . 1 1 10 10 GLU CB C 10 30.176 30.176 32.410 -2.234 19436 1989 1 7 . 1 1 10 10 GLU H H 10 8.488 8.488 9.536 -1.048 19436 1990 1 7 . 1 1 29 29 ALA N N 29 126.204 126.204 125.742 0.462 19436 1991 1 7 . 1 1 29 29 ALA HA H 29 4.487 4.487 4.636 -0.149 19436 1992 1 7 . 1 1 29 29 ALA C C 29 176.100 176.100 176.629 -0.529 19436 1993 1 7 . 1 1 29 29 ALA CA C 29 51.192 51.192 52.137 -0.945 19436 1994 1 7 . 1 1 29 29 ALA CB C 29 20.176 20.176 21.039 -0.863 19436 1995 1 7 . 1 1 29 29 ALA H H 29 8.570 8.570 8.387 0.183 19436 1996 1 7 . 1 1 30 30 ALA N N 30 128.202 128.202 128.207 -0.005 19436 1997 1 7 . 1 1 30 30 ALA HA H 30 4.303 4.303 4.699 -0.396 19436 1998 1 7 . 1 1 30 30 ALA C C 30 176.096 176.096 176.207 -0.111 19436 1999 1 7 . 1 1 30 30 ALA CA C 30 51.956 51.956 52.139 -0.182 19436 2000 1 7 . 1 1 30 30 ALA CB C 30 18.945 18.945 20.094 -1.149 19436 2001 1 7 . 1 1 30 30 ALA H H 30 8.665 8.665 8.319 0.346 19436 2002 1 7 . 1 1 31 31 LEU N N 31 120.119 120.119 123.470 -3.351 19436 2003 1 7 . 1 1 31 31 LEU HA H 31 4.897 4.897 4.636 0.261 19436 2004 1 7 . 1 1 31 31 LEU C C 31 178.865 178.865 175.241 3.624 19436 2005 1 7 . 1 1 31 31 LEU CA C 31 52.051 52.051 55.280 -3.229 19436 2006 1 7 . 1 1 31 31 LEU CB C 31 44.147 44.147 43.363 0.784 19436 2007 1 7 . 1 1 31 31 LEU H H 31 8.034 8.034 8.323 -0.289 19436 2008 1 7 . 1 1 32 32 HIS N N 32 122.302 122.302 120.370 1.932 19436 2009 1 7 . 1 1 32 32 HIS HA H 32 4.186 4.186 4.814 -0.628 19436 2010 1 7 . 1 1 32 32 HIS C C 32 177.524 177.524 172.093 5.431 19436 2011 1 7 . 1 1 32 32 HIS H H 32 8.573 8.573 7.970 0.603 19436 2012 1 7 . 1 1 33 33 ALA HA H 33 4.411 4.411 4.758 -0.347 19436 2013 1 7 . 1 1 33 33 ALA CA C 33 53.433 53.433 51.082 2.351 19436 2014 1 7 . 1 1 33 33 ALA CB C 33 20.342 20.342 18.995 1.347 19436 2015 1 7 . 1 1 34 34 GLU HA H 34 4.684 4.684 4.779 -0.095 19436 2016 1 7 . 1 1 34 34 GLU CA C 34 54.841 54.841 56.717 -1.876 19436 2017 1 7 . 1 1 34 34 GLU CB C 34 33.102 33.102 30.633 2.469 19436 2018 1 7 . 1 1 35 35 GLY N N 35 108.193 108.193 109.498 -1.305 19436 2019 1 7 . 1 1 35 35 GLY H H 35 8.661 8.661 8.403 0.258 19436 2020 1 7 . 1 1 36 36 PRO HA H 36 4.278 4.278 4.641 -0.363 19436 2021 1 7 . 1 1 36 36 PRO C C 36 177.885 177.885 175.644 2.241 19436 2022 1 7 . 1 1 36 36 PRO CA C 36 64.598 64.598 62.937 1.661 19436 2023 1 7 . 1 1 36 36 PRO CB C 36 31.945 31.945 32.304 -0.359 19436 2024 1 7 . 1 1 37 37 LEU N N 37 117.378 117.378 121.486 -4.108 19436 2025 1 7 . 1 1 37 37 LEU HA H 37 4.256 4.256 4.740 -0.484 19436 2026 1 7 . 1 1 37 37 LEU C C 37 174.928 174.928 175.724 -0.796 19436 2027 1 7 . 1 1 37 37 LEU CA C 37 52.682 52.682 55.435 -2.753 19436 2028 1 7 . 1 1 37 37 LEU CB C 37 40.999 40.999 44.101 -3.102 19436 2029 1 7 . 1 1 37 37 LEU H H 37 8.557 8.557 8.183 0.374 19436 2030 1 7 . 1 1 38 38 ALA N N 38 120.501 120.501 126.030 -5.529 19436 2031 1 7 . 1 1 38 38 ALA HA H 38 3.476 3.476 4.729 -1.253 19436 2032 1 7 . 1 1 38 38 ALA C C 38 178.760 178.760 176.730 2.030 19436 2033 1 7 . 1 1 38 38 ALA CA C 38 53.756 53.756 51.950 1.806 19436 2034 1 7 . 1 1 38 38 ALA CB C 38 17.949 17.949 19.572 -1.623 19436 2035 1 7 . 1 1 38 38 ALA H H 38 7.202 7.202 8.317 -1.115 19436 2036 1 7 . 1 1 39 39 GLY N N 39 108.963 108.963 111.883 -2.920 19436 2037 1 7 . 1 1 39 39 GLY C C 39 173.272 173.272 173.997 -0.725 19436 2038 1 7 . 1 1 39 39 GLY CA C 39 45.183 45.183 45.094 0.089 19436 2039 1 7 . 1 1 39 39 GLY H H 39 8.942 8.942 8.515 0.427 19436 2040 1 7 . 1 1 40 40 LEU N N 40 120.080 120.080 124.125 -4.045 19436 2041 1 7 . 1 1 40 40 LEU HA H 40 4.830 4.830 4.494 0.336 19436 2042 1 7 . 1 1 40 40 LEU C C 40 174.422 174.422 176.000 -1.578 19436 2043 1 7 . 1 1 40 40 LEU CB C 40 41.282 41.282 42.942 -1.660 19436 2044 1 7 . 1 1 40 40 LEU H H 40 8.216 8.216 7.871 0.345 19436 2045 1 7 . 1 1 41 41 PRO HA H 41 4.803 4.803 4.532 0.271 19436 2046 1 7 . 1 1 41 41 PRO CA C 41 61.528 61.528 63.098 -1.570 19436 2047 1 7 . 1 1 41 41 PRO CB C 41 31.384 31.384 32.645 -1.261 19436 2048 1 7 . 1 1 42 42 VAL N N 42 121.846 121.846 119.046 2.800 19436 2049 1 7 . 1 1 42 42 VAL HA H 42 3.510 3.510 3.879 -0.369 19436 2050 1 7 . 1 1 42 42 VAL CA C 42 65.888 65.888 63.307 2.581 19436 2051 1 7 . 1 1 42 42 VAL CB C 42 31.208 31.208 31.209 -0.001 19436 2052 1 7 . 1 1 42 42 VAL H H 42 7.784 7.784 8.174 -0.390 19436 2053 1 7 . 1 1 43 43 THR N N 43 109.158 109.158 113.225 -4.067 19436 2054 1 7 . 1 1 43 43 THR HA H 43 4.996 4.996 4.206 0.790 19436 2055 1 7 . 1 1 43 43 THR CA C 43 59.964 59.964 63.454 -3.490 19436 2056 1 7 . 1 1 43 43 THR CB C 43 12.133 12.133 69.152 -57.019 19436 2057 1 7 . 1 1 43 43 THR H H 43 8.911 8.911 8.356 0.555 19436 2058 1 7 . 1 1 44 44 ARG N N 44 120.175 120.175 118.018 2.157 19436 2059 1 7 . 1 1 44 44 ARG HA H 44 3.936 3.936 4.436 -0.500 19436 2060 1 7 . 1 1 44 44 ARG CA C 44 60.596 60.596 56.124 4.471 19436 2061 1 7 . 1 1 44 44 ARG CB C 44 29.617 29.617 30.492 -0.875 19436 2062 1 7 . 1 1 44 44 ARG H H 44 9.305 9.305 8.516 0.789 19436 2063 1 7 . 1 1 45 45 SER N N 45 114.367 114.367 117.587 -3.220 19436 2064 1 7 . 1 1 45 45 SER HA H 45 4.118 4.118 4.540 -0.422 19436 2065 1 7 . 1 1 45 45 SER CA C 45 62.355 62.355 58.549 3.806 19436 2066 1 7 . 1 1 45 45 SER CB C 45 62.355 62.355 61.069 1.286 19436 2067 1 7 . 1 1 45 45 SER H H 45 8.192 8.192 7.803 0.389 19436 2068 1 7 . 1 1 46 46 ASP N N 46 120.511 120.511 122.981 -2.470 19436 2069 1 7 . 1 1 46 46 ASP HA H 46 4.396 4.396 4.464 -0.068 19436 2070 1 7 . 1 1 46 46 ASP C C 46 177.220 177.220 176.126 1.094 19436 2071 1 7 . 1 1 46 46 ASP CA C 46 58.113 58.113 54.681 3.432 19436 2072 1 7 . 1 1 46 46 ASP CB C 46 43.287 43.287 42.077 1.210 19436 2073 1 7 . 1 1 46 46 ASP H H 46 7.354 7.354 7.846 -0.492 19436 2074 1 7 . 1 1 47 47 ALA N N 47 120.606 120.606 121.379 -0.773 19436 2075 1 7 . 1 1 47 47 ALA HA H 47 3.736 3.736 4.346 -0.610 19436 2076 1 7 . 1 1 47 47 ALA C C 47 178.603 178.603 177.086 1.517 19436 2077 1 7 . 1 1 47 47 ALA CA C 47 54.879 54.879 52.230 2.649 19436 2078 1 7 . 1 1 47 47 ALA CB C 47 19.739 19.739 19.543 0.196 19436 2079 1 7 . 1 1 47 47 ALA H H 47 7.838 7.838 7.863 -0.025 19436 2080 1 7 . 1 1 48 48 ARG N N 48 116.233 116.233 123.364 -7.131 19436 2081 1 7 . 1 1 48 48 ARG HA H 48 3.796 3.796 4.594 -0.798 19436 2082 1 7 . 1 1 48 48 ARG C C 48 177.903 177.903 175.116 2.787 19436 2083 1 7 . 1 1 48 48 ARG CA C 48 61.517 61.517 56.375 5.142 19436 2084 1 7 . 1 1 48 48 ARG CB C 48 30.351 30.351 31.068 -0.717 19436 2085 1 7 . 1 1 48 48 ARG H H 48 8.060 8.060 8.399 -0.339 19436 2086 1 7 . 1 1 49 49 VAL N N 49 119.026 119.026 118.183 0.843 19436 2087 1 7 . 1 1 49 49 VAL HA H 49 3.636 3.636 4.516 -0.880 19436 2088 1 7 . 1 1 49 49 VAL C C 49 177.817 177.817 174.175 3.642 19436 2089 1 7 . 1 1 49 49 VAL CA C 49 67.018 67.018 59.763 7.255 19436 2090 1 7 . 1 1 49 49 VAL CB C 49 31.821 31.821 31.559 0.262 19436 2091 1 7 . 1 1 49 49 VAL H H 49 7.413 7.413 7.789 -0.376 19436 2092 1 7 . 1 1 50 50 LEU HA H 50 4.113 4.113 4.585 -0.472 19436 2093 1 7 . 1 1 50 50 LEU C C 50 180.992 180.992 174.929 6.063 19436 2094 1 7 . 1 1 50 50 LEU CA C 50 58.382 58.382 54.132 4.250 19436 2095 1 7 . 1 1 50 50 LEU CB C 50 41.668 41.668 41.766 -0.098 19436 2096 1 7 . 1 1 51 51 ILE HA H 51 3.698 3.698 4.425 -0.727 19436 2097 1 7 . 1 1 51 51 ILE C C 51 178.708 178.708 174.781 3.927 19436 2098 1 7 . 1 1 51 51 ILE CA C 51 65.868 65.868 61.161 4.707 19436 2099 1 7 . 1 1 51 51 ILE CB C 51 38.755 38.755 39.318 -0.563 19436 2100 1 7 . 1 1 52 52 PHE N N 52 123.370 123.370 119.302 4.068 19436 2101 1 7 . 1 1 52 52 PHE HA H 52 4.174 4.174 4.663 -0.489 19436 2102 1 7 . 1 1 52 52 PHE C C 52 176.998 176.998 175.429 1.569 19436 2103 1 7 . 1 1 52 52 PHE CA C 52 62.566 62.566 57.866 4.700 19436 2104 1 7 . 1 1 52 52 PHE CB C 52 39.295 39.295 39.915 -0.620 19436 2105 1 7 . 1 1 52 52 PHE H H 52 8.748 8.748 8.712 0.036 19436 2106 1 7 . 1 1 53 53 ASN N N 53 117.944 117.944 118.068 -0.124 19436 2107 1 7 . 1 1 53 53 ASN HA H 53 4.478 4.478 5.022 -0.544 19436 2108 1 7 . 1 1 53 53 ASN C C 53 178.706 178.706 174.385 4.321 19436 2109 1 7 . 1 1 53 53 ASN CA C 53 56.027 56.027 52.419 3.608 19436 2110 1 7 . 1 1 53 53 ASN CB C 53 37.883 37.883 41.293 -3.410 19436 2111 1 7 . 1 1 53 53 ASN H H 53 8.990 8.990 8.202 0.788 19436 2112 1 7 . 1 1 54 54 GLU N N 54 121.168 121.168 121.933 -0.765 19436 2113 1 7 . 1 1 54 54 GLU HA H 54 4.123 4.123 4.474 -0.351 19436 2114 1 7 . 1 1 54 54 GLU C C 54 177.753 177.753 175.653 2.100 19436 2115 1 7 . 1 1 54 54 GLU CA C 54 59.415 59.415 55.659 3.756 19436 2116 1 7 . 1 1 54 54 GLU CB C 54 30.146 30.146 29.610 0.536 19436 2117 1 7 . 1 1 54 54 GLU H H 54 8.177 8.177 8.594 -0.417 19436 2118 1 7 . 1 1 55 55 TRP N N 55 122.549 122.549 121.166 1.383 19436 2119 1 7 . 1 1 55 55 TRP HA H 55 4.018 4.018 4.519 -0.501 19436 2120 1 7 . 1 1 55 55 TRP C C 55 176.647 176.647 175.940 0.707 19436 2121 1 7 . 1 1 55 55 TRP CA C 55 61.743 61.743 58.379 3.365 19436 2122 1 7 . 1 1 55 55 TRP CB C 55 27.960 27.960 28.333 -0.373 19436 2123 1 7 . 1 1 55 55 TRP H H 55 8.160 8.160 8.023 0.137 19436 2124 1 7 . 1 1 56 56 GLU N N 56 117.397 117.397 116.765 0.632 19436 2125 1 7 . 1 1 56 56 GLU HA H 56 2.962 2.962 4.526 -1.564 19436 2126 1 7 . 1 1 56 56 GLU C C 56 178.417 178.417 174.415 4.002 19436 2127 1 7 . 1 1 56 56 GLU CA C 56 59.739 59.739 54.588 5.151 19436 2128 1 7 . 1 1 56 56 GLU CB C 56 29.601 29.601 29.357 0.244 19436 2129 1 7 . 1 1 56 56 GLU H H 56 8.558 8.558 8.512 0.046 19436 2130 1 7 . 1 1 57 57 GLU HA H 57 4.049 4.049 4.475 -0.426 19436 2131 1 7 . 1 1 57 57 GLU C C 57 179.462 179.462 177.574 1.888 19436 2132 1 7 . 1 1 57 57 GLU CA C 57 58.264 58.264 56.347 1.917 19436 2133 1 7 . 1 1 57 57 GLU CB C 57 29.826 29.826 30.109 -0.283 19436 2134 1 7 . 1 1 58 58 ARG N N 58 120.321 120.321 120.426 -0.105 19436 2135 1 7 . 1 1 58 58 ARG HA H 58 3.922 3.922 4.002 -0.080 19436 2136 1 7 . 1 1 58 58 ARG C C 58 178.832 178.832 175.888 2.944 19436 2137 1 7 . 1 1 58 58 ARG CA C 58 58.846 58.846 56.173 2.673 19436 2138 1 7 . 1 1 58 58 ARG H H 58 8.420 8.420 8.637 -0.217 19436 2139 1 7 . 1 1 59 59 LYS N N 59 118.447 118.447 119.064 -0.617 19436 2140 1 7 . 1 1 59 59 LYS HA H 59 3.681 3.681 4.226 -0.545 19436 2141 1 7 . 1 1 59 59 LYS C C 59 176.846 176.846 176.042 0.804 19436 2142 1 7 . 1 1 59 59 LYS CA C 59 57.540 57.540 57.019 0.521 19436 2143 1 7 . 1 1 59 59 LYS CB C 59 30.572 30.572 32.746 -2.174 19436 2144 1 7 . 1 1 59 59 LYS H H 59 8.436 8.436 8.131 0.305 19436 2145 1 7 . 1 1 60 60 LYS N N 60 117.663 117.663 122.382 -4.719 19436 2146 1 7 . 1 1 60 60 LYS HA H 60 3.817 3.817 4.699 -0.882 19436 2147 1 7 . 1 1 60 60 LYS C C 60 177.762 177.762 175.866 1.896 19436 2148 1 7 . 1 1 60 60 LYS CA C 60 59.207 59.207 55.556 3.651 19436 2149 1 7 . 1 1 60 60 LYS CB C 60 32.269 32.269 35.158 -2.889 19436 2150 1 7 . 1 1 60 60 LYS H H 60 6.904 6.904 8.426 -1.522 19436 2151 1 7 . 1 1 61 61 SER N N 61 110.383 110.383 115.319 -4.936 19436 2152 1 7 . 1 1 61 61 SER HA H 61 4.527 4.527 5.139 -0.612 19436 2153 1 7 . 1 1 61 61 SER C C 61 174.006 174.006 172.702 1.304 19436 2154 1 7 . 1 1 61 61 SER CA C 61 58.671 58.671 57.438 1.233 19436 2155 1 7 . 1 1 61 61 SER CB C 61 64.444 64.444 65.565 -1.121 19436 2156 1 7 . 1 1 61 61 SER H H 61 7.381 7.381 8.443 -1.062 19436 2157 1 7 . 1 1 62 62 GLU N N 62 121.734 121.734 122.233 -0.499 19436 2158 1 7 . 1 1 62 62 GLU HA H 62 3.681 3.681 4.635 -0.954 19436 2159 1 7 . 1 1 62 62 GLU C C 62 172.751 172.751 174.636 -1.885 19436 2160 1 7 . 1 1 62 62 GLU CA C 62 52.861 52.861 55.720 -2.859 19436 2161 1 7 . 1 1 62 62 GLU CB C 62 30.206 30.206 30.689 -0.483 19436 2162 1 7 . 1 1 62 62 GLU H H 62 7.625 7.625 9.428 -1.803 19436 2163 1 7 . 1 1 63 63 PRO HA H 63 4.267 4.267 5.129 -0.862 19436 2164 1 7 . 1 1 63 63 PRO C C 63 176.541 176.541 176.994 -0.453 19436 2165 1 7 . 1 1 63 63 PRO CA C 63 64.621 64.621 61.507 3.114 19436 2166 1 7 . 1 1 63 63 PRO CB C 63 31.452 31.452 35.682 -4.230 19436 2167 1 7 . 1 1 64 64 TRP N N 64 115.298 115.298 121.021 -5.723 19436 2168 1 7 . 1 1 64 64 TRP HA H 64 4.645 4.645 4.787 -0.142 19436 2169 1 7 . 1 1 64 64 TRP C C 64 176.530 176.530 176.441 0.089 19436 2170 1 7 . 1 1 64 64 TRP CA C 64 56.604 56.604 57.696 -1.091 19436 2171 1 7 . 1 1 64 64 TRP CB C 64 28.026 28.026 31.418 -3.392 19436 2172 1 7 . 1 1 64 64 TRP H H 64 6.837 6.837 8.477 -1.640 19436 2173 1 7 . 1 1 65 65 LEU N N 65 125.040 125.040 126.093 -1.053 19436 2174 1 7 . 1 1 65 65 LEU HA H 65 4.149 4.149 4.455 -0.306 19436 2175 1 7 . 1 1 65 65 LEU C C 65 177.528 177.528 175.984 1.544 19436 2176 1 7 . 1 1 65 65 LEU CA C 65 56.277 56.277 55.512 0.765 19436 2177 1 7 . 1 1 65 65 LEU CB C 65 43.152 43.152 42.963 0.189 19436 2178 1 7 . 1 1 65 65 LEU H H 65 7.252 7.252 8.880 -1.628 19436 2179 1 7 . 1 1 66 66 ARG N N 66 128.225 128.225 117.071 11.154 19436 2180 1 7 . 1 1 66 66 ARG HA H 66 4.578 4.578 4.514 0.064 19436 2181 1 7 . 1 1 66 66 ARG C C 66 175.757 175.757 175.717 0.040 19436 2182 1 7 . 1 1 66 66 ARG CA C 66 55.105 55.105 54.717 0.388 19436 2183 1 7 . 1 1 66 66 ARG CB C 66 31.397 31.397 33.466 -2.069 19436 2184 1 7 . 1 1 66 66 ARG H H 66 8.892 8.892 7.942 0.950 19436 2185 1 7 . 1 1 67 67 LEU N N 67 127.896 127.896 121.633 6.263 19436 2186 1 7 . 1 1 67 67 LEU HA H 67 3.560 3.560 4.092 -0.532 19436 2187 1 7 . 1 1 67 67 LEU C C 67 175.383 175.383 175.633 -0.250 19436 2188 1 7 . 1 1 67 67 LEU CA C 67 54.595 54.595 54.587 0.008 19436 2189 1 7 . 1 1 67 67 LEU H H 67 8.328 8.328 8.336 -0.008 19436 2190 1 7 . 1 1 68 68 ASP HA H 68 4.719 4.719 4.566 0.153 19436 2191 1 7 . 1 1 68 68 ASP C C 68 174.373 174.373 175.718 -1.345 19436 2192 1 7 . 1 1 68 68 ASP CA C 68 52.936 52.936 55.739 -2.803 19436 2193 1 7 . 1 1 68 68 ASP CB C 68 41.363 41.363 40.850 0.513 19436 2194 1 7 . 1 1 69 69 MET N N 69 122.596 122.596 116.727 5.869 19436 2195 1 7 . 1 1 69 69 MET HA H 69 4.539 4.539 4.630 -0.091 19436 2196 1 7 . 1 1 69 69 MET C C 69 174.798 174.798 175.338 -0.540 19436 2197 1 7 . 1 1 69 69 MET CA C 69 53.657 53.657 53.764 -0.107 19436 2198 1 7 . 1 1 69 69 MET CB C 69 33.356 33.356 31.686 1.670 19436 2199 1 7 . 1 1 69 69 MET H H 69 8.777 8.777 7.985 0.792 19436 2200 1 7 . 1 1 70 70 SER N N 70 116.028 116.028 114.541 1.487 19436 2201 1 7 . 1 1 70 70 SER HA H 70 4.183 4.183 4.347 -0.164 19436 2202 1 7 . 1 1 70 70 SER C C 70 173.995 173.995 175.790 -1.795 19436 2203 1 7 . 1 1 70 70 SER CA C 70 58.683 58.683 59.393 -0.710 19436 2204 1 7 . 1 1 70 70 SER CB C 70 64.826 64.826 62.776 2.050 19436 2205 1 7 . 1 1 70 70 SER H H 70 8.179 8.179 7.670 0.509 19436 2206 1 7 . 1 1 71 71 ASP N N 71 121.658 121.658 123.935 -2.277 19436 2207 1 7 . 1 1 71 71 ASP HA H 71 3.788 3.788 4.242 -0.454 19436 2208 1 7 . 1 1 71 71 ASP C C 71 176.757 176.757 175.612 1.145 19436 2209 1 7 . 1 1 71 71 ASP CA C 71 57.426 57.426 54.043 3.383 19436 2210 1 7 . 1 1 71 71 ASP H H 71 8.789 8.789 9.020 -0.231 19436 2211 1 7 . 1 1 72 72 LYS N N 72 116.258 116.258 120.210 -3.952 19436 2212 1 7 . 1 1 72 72 LYS HA H 72 3.751 3.751 4.867 -1.116 19436 2213 1 7 . 1 1 72 72 LYS C C 72 178.882 178.882 174.593 4.289 19436 2214 1 7 . 1 1 72 72 LYS CA C 72 59.891 59.891 52.914 6.977 19436 2215 1 7 . 1 1 72 72 LYS CB C 72 32.195 32.195 32.896 -0.701 19436 2216 1 7 . 1 1 72 72 LYS H H 72 7.876 7.876 8.050 -0.174 19436 2217 1 7 . 1 1 73 73 ALA HA H 73 3.939 3.939 4.678 -0.739 19436 2218 1 7 . 1 1 73 73 ALA C C 73 181.112 181.112 177.353 3.759 19436 2219 1 7 . 1 1 73 73 ALA CA C 73 55.118 55.118 51.261 3.857 19436 2220 1 7 . 1 1 73 73 ALA CB C 73 17.847 17.847 19.721 -1.874 19436 2221 1 7 . 1 1 74 74 ILE N N 74 119.583 119.583 116.421 3.162 19436 2222 1 7 . 1 1 74 74 ILE HA H 74 3.477 3.477 4.434 -0.957 19436 2223 1 7 . 1 1 74 74 ILE C C 74 177.697 177.697 176.327 1.370 19436 2224 1 7 . 1 1 74 74 ILE CA C 74 66.112 66.112 61.283 4.829 19436 2225 1 7 . 1 1 74 74 ILE CB C 74 37.678 37.678 39.265 -1.587 19436 2226 1 7 . 1 1 74 74 ILE H H 74 8.119 8.119 8.305 -0.185 19436 2227 1 7 . 1 1 75 75 PHE N N 75 117.768 117.768 116.143 1.625 19436 2228 1 7 . 1 1 75 75 PHE HA H 75 4.431 4.431 4.949 -0.518 19436 2229 1 7 . 1 1 75 75 PHE C C 75 177.987 177.987 175.420 2.567 19436 2230 1 7 . 1 1 75 75 PHE CA C 75 56.968 56.968 55.481 1.487 19436 2231 1 7 . 1 1 75 75 PHE CB C 75 37.281 37.281 42.245 -4.964 19436 2232 1 7 . 1 1 75 75 PHE H H 75 8.553 8.553 7.971 0.582 19436 2233 1 7 . 1 1 76 76 ARG N N 76 117.370 117.370 120.985 -3.615 19436 2234 1 7 . 1 1 76 76 ARG HA H 76 4.059 4.059 4.064 -0.005 19436 2235 1 7 . 1 1 76 76 ARG C C 76 177.520 177.520 178.188 -0.668 19436 2236 1 7 . 1 1 76 76 ARG CA C 76 58.690 58.690 59.781 -1.091 19436 2237 1 7 . 1 1 76 76 ARG CB C 76 30.417 30.417 29.755 0.662 19436 2238 1 7 . 1 1 76 76 ARG H H 76 7.532 7.532 8.861 -1.329 19436 2239 1 7 . 1 1 77 77 ARG N N 77 117.482 117.482 121.163 -3.681 19436 2240 1 7 . 1 1 77 77 ARG HA H 77 3.967 3.967 4.002 -0.035 19436 2241 1 7 . 1 1 77 77 ARG C C 77 176.168 176.168 177.741 -1.573 19436 2242 1 7 . 1 1 77 77 ARG CA C 77 57.472 57.472 59.749 -2.277 19436 2243 1 7 . 1 1 77 77 ARG CB C 77 31.746 31.746 29.970 1.776 19436 2244 1 7 . 1 1 77 77 ARG H H 77 7.222 7.222 8.276 -1.054 19436 2245 1 7 . 1 1 78 78 TYR N N 78 116.126 116.126 122.517 -6.391 19436 2246 1 7 . 1 1 78 78 TYR HA H 78 5.333 5.333 4.256 1.077 19436 2247 1 7 . 1 1 78 78 TYR C C 78 172.361 172.361 178.001 -5.640 19436 2248 1 7 . 1 1 78 78 TYR CB C 78 38.546 38.546 37.959 0.587 19436 2249 1 7 . 1 1 78 78 TYR H H 78 8.823 8.823 7.871 0.952 19436 2250 1 7 . 1 1 79 79 PRO HA H 79 4.441 4.441 3.997 0.444 19436 2251 1 7 . 1 1 79 79 PRO C C 79 178.491 178.491 179.327 -0.836 19436 2252 1 7 . 1 1 79 79 PRO CA C 79 64.854 64.854 66.232 -1.378 19436 2253 1 7 . 1 1 79 79 PRO CB C 79 31.694 31.694 31.087 0.607 19436 2254 1 7 . 1 1 80 80 HIS N N 80 115.604 115.604 117.515 -1.911 19436 2255 1 7 . 1 1 80 80 HIS HA H 80 4.549 4.549 4.221 0.328 19436 2256 1 7 . 1 1 80 80 HIS C C 80 176.202 176.202 177.538 -1.336 19436 2257 1 7 . 1 1 80 80 HIS CA C 80 58.597 58.597 59.538 -0.941 19436 2258 1 7 . 1 1 80 80 HIS CB C 80 29.685 29.685 29.784 -0.099 19436 2259 1 7 . 1 1 80 80 HIS H H 80 8.274 8.274 8.104 0.170 19436 2260 1 7 . 1 1 81 81 LEU N N 81 120.646 120.646 121.611 -0.965 19436 2261 1 7 . 1 1 81 81 LEU HA H 81 4.228 4.228 4.006 0.222 19436 2262 1 7 . 1 1 81 81 LEU C C 81 175.906 175.906 178.623 -2.717 19436 2263 1 7 . 1 1 81 81 LEU CA C 81 54.105 54.105 59.710 -5.605 19436 2264 1 7 . 1 1 81 81 LEU CB C 81 41.759 41.759 41.853 -0.094 19436 2265 1 7 . 1 1 81 81 LEU H H 81 7.609 7.609 8.216 -0.607 19436 2266 1 7 . 1 1 82 82 ARG N N 82 125.478 125.478 119.899 5.579 19436 2267 1 7 . 1 1 82 82 ARG C C 82 180.927 180.927 178.537 2.390 19436 2268 1 7 . 1 1 82 82 ARG H H 82 7.079 7.079 8.368 -1.289 19436 2269 1 8 . 1 1 2 2 PRO HA H 2 4.442 4.442 4.752 -0.310 19436 2270 1 8 . 1 1 2 2 PRO CA C 2 62.895 62.895 63.124 -0.229 19436 2271 1 8 . 1 1 2 2 PRO CB C 2 31.958 31.958 32.241 -0.283 19436 2272 1 8 . 1 1 3 3 SER N N 3 117.584 117.584 115.736 1.848 19436 2273 1 8 . 1 1 3 3 SER H H 3 8.434 8.434 8.310 0.124 19436 2274 1 8 . 1 1 4 4 PRO HA H 4 4.442 4.442 4.508 -0.066 19436 2275 1 8 . 1 1 4 4 PRO C C 4 176.912 176.912 175.404 1.508 19436 2276 1 8 . 1 1 4 4 PRO CA C 4 63.325 63.325 62.558 0.767 19436 2277 1 8 . 1 1 4 4 PRO CB C 4 32.011 32.011 32.196 -0.185 19436 2278 1 8 . 1 1 5 5 LEU N N 5 121.539 121.539 121.091 0.448 19436 2279 1 8 . 1 1 5 5 LEU HA H 5 4.344 4.344 4.799 -0.455 19436 2280 1 8 . 1 1 5 5 LEU C C 5 177.549 177.549 174.445 3.104 19436 2281 1 8 . 1 1 5 5 LEU CA C 5 55.395 55.395 54.094 1.301 19436 2282 1 8 . 1 1 5 5 LEU CB C 5 42.317 42.317 43.775 -1.458 19436 2283 1 8 . 1 1 5 5 LEU H H 5 8.281 8.281 8.378 -0.097 19436 2284 1 8 . 1 1 6 6 SER N N 6 116.435 116.435 115.518 0.917 19436 2285 1 8 . 1 1 6 6 SER HA H 6 4.464 4.464 4.654 -0.190 19436 2286 1 8 . 1 1 6 6 SER C C 6 174.630 174.630 173.623 1.007 19436 2287 1 8 . 1 1 6 6 SER CA C 6 58.262 58.262 57.773 0.490 19436 2288 1 8 . 1 1 6 6 SER CB C 6 63.883 63.883 65.585 -1.702 19436 2289 1 8 . 1 1 6 6 SER H H 6 8.250 8.250 8.614 -0.364 19436 2290 1 8 . 1 1 7 7 SER N N 7 117.774 117.774 113.859 3.915 19436 2291 1 8 . 1 1 7 7 SER HA H 7 4.481 4.481 5.072 -0.591 19436 2292 1 8 . 1 1 7 7 SER C C 7 174.630 174.630 172.669 1.961 19436 2293 1 8 . 1 1 7 7 SER CA C 7 58.511 58.511 57.256 1.255 19436 2294 1 8 . 1 1 7 7 SER CB C 7 63.827 63.827 65.220 -1.393 19436 2295 1 8 . 1 1 7 7 SER H H 7 8.392 8.392 8.623 -0.231 19436 2296 1 8 . 1 1 8 8 GLU N N 8 122.440 122.440 120.161 2.279 19436 2297 1 8 . 1 1 8 8 GLU HA H 8 4.332 4.332 4.799 -0.467 19436 2298 1 8 . 1 1 8 8 GLU C C 8 176.591 176.591 175.777 0.814 19436 2299 1 8 . 1 1 8 8 GLU CA C 8 56.846 56.846 55.811 1.035 19436 2300 1 8 . 1 1 8 8 GLU CB C 8 30.125 30.125 31.976 -1.851 19436 2301 1 8 . 1 1 8 8 GLU H H 8 8.458 8.458 9.328 -0.870 19436 2302 1 8 . 1 1 9 9 SER N N 9 116.179 116.179 115.552 0.627 19436 2303 1 8 . 1 1 9 9 SER HA H 9 4.449 4.449 4.951 -0.502 19436 2304 1 8 . 1 1 9 9 SER C C 9 174.763 174.763 173.158 1.605 19436 2305 1 8 . 1 1 9 9 SER CA C 9 58.455 58.455 57.445 1.010 19436 2306 1 8 . 1 1 9 9 SER CB C 9 64.002 64.002 65.988 -1.986 19436 2307 1 8 . 1 1 9 9 SER H H 9 8.280 8.280 9.105 -0.825 19436 2308 1 8 . 1 1 10 10 GLU N N 10 122.989 122.989 119.108 3.881 19436 2309 1 8 . 1 1 10 10 GLU HA H 10 4.212 4.212 4.829 -0.617 19436 2310 1 8 . 1 1 10 10 GLU C C 10 176.344 176.344 175.054 1.290 19436 2311 1 8 . 1 1 10 10 GLU CA C 10 56.967 56.967 56.249 0.718 19436 2312 1 8 . 1 1 10 10 GLU CB C 10 30.176 30.176 31.311 -1.135 19436 2313 1 8 . 1 1 10 10 GLU H H 10 8.488 8.488 8.697 -0.209 19436 2314 1 8 . 1 1 29 29 ALA N N 29 126.204 126.204 122.294 3.910 19436 2315 1 8 . 1 1 29 29 ALA HA H 29 4.487 4.487 4.865 -0.378 19436 2316 1 8 . 1 1 29 29 ALA C C 29 176.100 176.100 176.365 -0.265 19436 2317 1 8 . 1 1 29 29 ALA CA C 29 51.192 51.192 51.554 -0.362 19436 2318 1 8 . 1 1 29 29 ALA CB C 29 20.176 20.176 20.459 -0.283 19436 2319 1 8 . 1 1 29 29 ALA H H 29 8.570 8.570 8.288 0.282 19436 2320 1 8 . 1 1 30 30 ALA N N 30 128.202 128.202 125.066 3.136 19436 2321 1 8 . 1 1 30 30 ALA HA H 30 4.303 4.303 4.716 -0.413 19436 2322 1 8 . 1 1 30 30 ALA C C 30 176.096 176.096 176.515 -0.419 19436 2323 1 8 . 1 1 30 30 ALA CA C 30 51.956 51.956 51.706 0.251 19436 2324 1 8 . 1 1 30 30 ALA CB C 30 18.945 18.945 20.184 -1.240 19436 2325 1 8 . 1 1 30 30 ALA H H 30 8.665 8.665 8.293 0.372 19436 2326 1 8 . 1 1 31 31 LEU N N 31 120.119 120.119 120.467 -0.348 19436 2327 1 8 . 1 1 31 31 LEU HA H 31 4.897 4.897 4.558 0.339 19436 2328 1 8 . 1 1 31 31 LEU C C 31 178.865 178.865 176.054 2.811 19436 2329 1 8 . 1 1 31 31 LEU CA C 31 52.051 52.051 54.453 -2.402 19436 2330 1 8 . 1 1 31 31 LEU CB C 31 44.147 44.147 42.340 1.807 19436 2331 1 8 . 1 1 31 31 LEU H H 31 8.034 8.034 8.006 0.028 19436 2332 1 8 . 1 1 32 32 HIS N N 32 122.302 122.302 119.627 2.675 19436 2333 1 8 . 1 1 32 32 HIS HA H 32 4.186 4.186 4.505 -0.319 19436 2334 1 8 . 1 1 32 32 HIS C C 32 177.524 177.524 173.315 4.209 19436 2335 1 8 . 1 1 32 32 HIS H H 32 8.573 8.573 8.373 0.200 19436 2336 1 8 . 1 1 33 33 ALA HA H 33 4.411 4.411 4.639 -0.228 19436 2337 1 8 . 1 1 33 33 ALA CA C 33 53.433 53.433 51.107 2.326 19436 2338 1 8 . 1 1 33 33 ALA CB C 33 20.342 20.342 19.632 0.710 19436 2339 1 8 . 1 1 34 34 GLU HA H 34 4.684 4.684 4.690 -0.006 19436 2340 1 8 . 1 1 34 34 GLU CA C 34 54.841 54.841 56.128 -1.287 19436 2341 1 8 . 1 1 34 34 GLU CB C 34 33.102 33.102 30.693 2.409 19436 2342 1 8 . 1 1 35 35 GLY N N 35 108.193 108.193 107.727 0.466 19436 2343 1 8 . 1 1 35 35 GLY H H 35 8.661 8.661 8.454 0.207 19436 2344 1 8 . 1 1 36 36 PRO HA H 36 4.278 4.278 4.726 -0.448 19436 2345 1 8 . 1 1 36 36 PRO C C 36 177.885 177.885 175.881 2.004 19436 2346 1 8 . 1 1 36 36 PRO CA C 36 64.598 64.598 62.861 1.737 19436 2347 1 8 . 1 1 36 36 PRO CB C 36 31.945 31.945 32.684 -0.739 19436 2348 1 8 . 1 1 37 37 LEU N N 37 117.378 117.378 118.922 -1.544 19436 2349 1 8 . 1 1 37 37 LEU HA H 37 4.256 4.256 4.898 -0.642 19436 2350 1 8 . 1 1 37 37 LEU C C 37 174.928 174.928 176.536 -1.608 19436 2351 1 8 . 1 1 37 37 LEU CA C 37 52.682 52.682 54.613 -1.931 19436 2352 1 8 . 1 1 37 37 LEU CB C 37 40.999 40.999 44.508 -3.509 19436 2353 1 8 . 1 1 37 37 LEU H H 37 8.557 8.557 8.723 -0.166 19436 2354 1 8 . 1 1 38 38 ALA N N 38 120.501 120.501 121.877 -1.376 19436 2355 1 8 . 1 1 38 38 ALA HA H 38 3.476 3.476 4.636 -1.160 19436 2356 1 8 . 1 1 38 38 ALA C C 38 178.760 178.760 177.336 1.424 19436 2357 1 8 . 1 1 38 38 ALA CA C 38 53.756 53.756 51.866 1.890 19436 2358 1 8 . 1 1 38 38 ALA CB C 38 17.949 17.949 19.833 -1.884 19436 2359 1 8 . 1 1 38 38 ALA H H 38 7.202 7.202 8.707 -1.505 19436 2360 1 8 . 1 1 39 39 GLY N N 39 108.963 108.963 109.453 -0.490 19436 2361 1 8 . 1 1 39 39 GLY C C 39 173.272 173.272 173.412 -0.140 19436 2362 1 8 . 1 1 39 39 GLY CA C 39 45.183 45.183 44.553 0.630 19436 2363 1 8 . 1 1 39 39 GLY H H 39 8.942 8.942 8.037 0.905 19436 2364 1 8 . 1 1 40 40 LEU N N 40 120.080 120.080 124.343 -4.263 19436 2365 1 8 . 1 1 40 40 LEU HA H 40 4.830 4.830 4.664 0.166 19436 2366 1 8 . 1 1 40 40 LEU C C 40 174.422 174.422 175.586 -1.164 19436 2367 1 8 . 1 1 40 40 LEU CB C 40 41.282 41.282 42.542 -1.260 19436 2368 1 8 . 1 1 40 40 LEU H H 40 8.216 8.216 8.476 -0.260 19436 2369 1 8 . 1 1 41 41 PRO HA H 41 4.803 4.803 4.578 0.225 19436 2370 1 8 . 1 1 41 41 PRO CA C 41 61.528 61.528 62.832 -1.304 19436 2371 1 8 . 1 1 41 41 PRO CB C 41 31.384 31.384 33.513 -2.129 19436 2372 1 8 . 1 1 42 42 VAL N N 42 121.846 121.846 120.564 1.282 19436 2373 1 8 . 1 1 42 42 VAL HA H 42 3.510 3.510 3.904 -0.394 19436 2374 1 8 . 1 1 42 42 VAL CA C 42 65.888 65.888 62.758 3.130 19436 2375 1 8 . 1 1 42 42 VAL CB C 42 31.208 31.208 31.332 -0.124 19436 2376 1 8 . 1 1 42 42 VAL H H 42 7.784 7.784 8.379 -0.595 19436 2377 1 8 . 1 1 43 43 THR N N 43 109.158 109.158 114.733 -5.575 19436 2378 1 8 . 1 1 43 43 THR HA H 43 4.996 4.996 4.290 0.706 19436 2379 1 8 . 1 1 43 43 THR CA C 43 59.964 59.964 62.461 -2.497 19436 2380 1 8 . 1 1 43 43 THR CB C 43 12.133 12.133 67.291 -55.158 19436 2381 1 8 . 1 1 43 43 THR H H 43 8.911 8.911 8.483 0.428 19436 2382 1 8 . 1 1 44 44 ARG N N 44 120.175 120.175 115.678 4.497 19436 2383 1 8 . 1 1 44 44 ARG HA H 44 3.936 3.936 3.926 0.010 19436 2384 1 8 . 1 1 44 44 ARG CA C 44 60.596 60.596 56.888 3.708 19436 2385 1 8 . 1 1 44 44 ARG CB C 44 29.617 29.617 29.063 0.554 19436 2386 1 8 . 1 1 44 44 ARG H H 44 9.305 9.305 8.163 1.142 19436 2387 1 8 . 1 1 45 45 SER N N 45 114.367 114.367 108.283 6.084 19436 2388 1 8 . 1 1 45 45 SER HA H 45 4.118 4.118 4.532 -0.414 19436 2389 1 8 . 1 1 45 45 SER CA C 45 62.355 62.355 59.073 3.282 19436 2390 1 8 . 1 1 45 45 SER CB C 45 62.355 62.355 62.572 -0.216 19436 2391 1 8 . 1 1 45 45 SER H H 45 8.192 8.192 8.179 0.013 19436 2392 1 8 . 1 1 46 46 ASP N N 46 120.511 120.511 120.266 0.245 19436 2393 1 8 . 1 1 46 46 ASP HA H 46 4.396 4.396 4.533 -0.137 19436 2394 1 8 . 1 1 46 46 ASP C C 46 177.220 177.220 177.615 -0.395 19436 2395 1 8 . 1 1 46 46 ASP CA C 46 58.113 58.113 54.591 3.522 19436 2396 1 8 . 1 1 46 46 ASP CB C 46 43.287 43.287 39.454 3.833 19436 2397 1 8 . 1 1 46 46 ASP H H 46 7.354 7.354 8.398 -1.044 19436 2398 1 8 . 1 1 47 47 ALA N N 47 120.606 120.606 120.743 -0.137 19436 2399 1 8 . 1 1 47 47 ALA HA H 47 3.736 3.736 3.940 -0.204 19436 2400 1 8 . 1 1 47 47 ALA C C 47 178.603 178.603 177.582 1.021 19436 2401 1 8 . 1 1 47 47 ALA CA C 47 54.879 54.879 53.980 0.900 19436 2402 1 8 . 1 1 47 47 ALA CB C 47 19.739 19.739 17.990 1.749 19436 2403 1 8 . 1 1 47 47 ALA H H 47 7.838 7.838 7.527 0.311 19436 2404 1 8 . 1 1 48 48 ARG N N 48 116.233 116.233 116.815 -0.582 19436 2405 1 8 . 1 1 48 48 ARG HA H 48 3.796 3.796 4.252 -0.456 19436 2406 1 8 . 1 1 48 48 ARG C C 48 177.903 177.903 176.660 1.243 19436 2407 1 8 . 1 1 48 48 ARG CA C 48 61.517 61.517 56.943 4.574 19436 2408 1 8 . 1 1 48 48 ARG CB C 48 30.351 30.351 30.208 0.143 19436 2409 1 8 . 1 1 48 48 ARG H H 48 8.060 8.060 7.188 0.872 19436 2410 1 8 . 1 1 49 49 VAL N N 49 119.026 119.026 122.041 -3.015 19436 2411 1 8 . 1 1 49 49 VAL HA H 49 3.636 3.636 4.525 -0.889 19436 2412 1 8 . 1 1 49 49 VAL C C 49 177.817 177.817 174.095 3.722 19436 2413 1 8 . 1 1 49 49 VAL CA C 49 67.018 67.018 59.713 7.305 19436 2414 1 8 . 1 1 49 49 VAL CB C 49 31.821 31.821 32.518 -0.697 19436 2415 1 8 . 1 1 49 49 VAL H H 49 7.413 7.413 7.400 0.013 19436 2416 1 8 . 1 1 50 50 LEU HA H 50 4.113 4.113 4.700 -0.587 19436 2417 1 8 . 1 1 50 50 LEU C C 50 180.992 180.992 174.393 6.599 19436 2418 1 8 . 1 1 50 50 LEU CA C 50 58.382 58.382 53.263 5.119 19436 2419 1 8 . 1 1 50 50 LEU CB C 50 41.668 41.668 41.740 -0.072 19436 2420 1 8 . 1 1 51 51 ILE HA H 51 3.698 3.698 4.348 -0.650 19436 2421 1 8 . 1 1 51 51 ILE C C 51 178.708 178.708 175.790 2.918 19436 2422 1 8 . 1 1 51 51 ILE CA C 51 65.868 65.868 60.922 4.946 19436 2423 1 8 . 1 1 51 51 ILE CB C 51 38.755 38.755 39.352 -0.597 19436 2424 1 8 . 1 1 52 52 PHE N N 52 123.370 123.370 120.787 2.583 19436 2425 1 8 . 1 1 52 52 PHE HA H 52 4.174 4.174 4.504 -0.330 19436 2426 1 8 . 1 1 52 52 PHE C C 52 176.998 176.998 175.572 1.426 19436 2427 1 8 . 1 1 52 52 PHE CA C 52 62.566 62.566 58.377 4.189 19436 2428 1 8 . 1 1 52 52 PHE CB C 52 39.295 39.295 39.170 0.125 19436 2429 1 8 . 1 1 52 52 PHE H H 52 8.748 8.748 8.536 0.212 19436 2430 1 8 . 1 1 53 53 ASN N N 53 117.944 117.944 118.777 -0.833 19436 2431 1 8 . 1 1 53 53 ASN HA H 53 4.478 4.478 4.781 -0.303 19436 2432 1 8 . 1 1 53 53 ASN C C 53 178.706 178.706 174.341 4.365 19436 2433 1 8 . 1 1 53 53 ASN CA C 53 56.027 56.027 52.957 3.070 19436 2434 1 8 . 1 1 53 53 ASN CB C 53 37.883 37.883 38.865 -0.982 19436 2435 1 8 . 1 1 53 53 ASN H H 53 8.990 8.990 8.297 0.693 19436 2436 1 8 . 1 1 54 54 GLU N N 54 121.168 121.168 120.249 0.919 19436 2437 1 8 . 1 1 54 54 GLU HA H 54 4.123 4.123 4.511 -0.388 19436 2438 1 8 . 1 1 54 54 GLU C C 54 177.753 177.753 175.277 2.476 19436 2439 1 8 . 1 1 54 54 GLU CA C 54 59.415 59.415 55.948 3.467 19436 2440 1 8 . 1 1 54 54 GLU CB C 54 30.146 30.146 30.684 -0.538 19436 2441 1 8 . 1 1 54 54 GLU H H 54 8.177 8.177 7.740 0.437 19436 2442 1 8 . 1 1 55 55 TRP N N 55 122.549 122.549 124.586 -2.037 19436 2443 1 8 . 1 1 55 55 TRP HA H 55 4.018 4.018 4.476 -0.458 19436 2444 1 8 . 1 1 55 55 TRP C C 55 176.647 176.647 176.408 0.239 19436 2445 1 8 . 1 1 55 55 TRP CA C 55 61.743 61.743 58.255 3.488 19436 2446 1 8 . 1 1 55 55 TRP CB C 55 27.960 27.960 28.852 -0.892 19436 2447 1 8 . 1 1 55 55 TRP H H 55 8.160 8.160 8.512 -0.352 19436 2448 1 8 . 1 1 56 56 GLU N N 56 117.397 117.397 118.810 -1.413 19436 2449 1 8 . 1 1 56 56 GLU HA H 56 2.962 2.962 4.521 -1.559 19436 2450 1 8 . 1 1 56 56 GLU C C 56 178.417 178.417 174.113 4.304 19436 2451 1 8 . 1 1 56 56 GLU CA C 56 59.739 59.739 54.560 5.179 19436 2452 1 8 . 1 1 56 56 GLU CB C 56 29.601 29.601 30.189 -0.588 19436 2453 1 8 . 1 1 56 56 GLU H H 56 8.558 8.558 8.400 0.158 19436 2454 1 8 . 1 1 57 57 GLU HA H 57 4.049 4.049 4.454 -0.405 19436 2455 1 8 . 1 1 57 57 GLU C C 57 179.462 179.462 176.840 2.622 19436 2456 1 8 . 1 1 57 57 GLU CA C 57 58.264 58.264 56.386 1.877 19436 2457 1 8 . 1 1 57 57 GLU CB C 57 29.826 29.826 30.115 -0.289 19436 2458 1 8 . 1 1 58 58 ARG N N 58 120.321 120.321 123.499 -3.178 19436 2459 1 8 . 1 1 58 58 ARG HA H 58 3.922 3.922 4.054 -0.132 19436 2460 1 8 . 1 1 58 58 ARG C C 58 178.832 178.832 174.705 4.127 19436 2461 1 8 . 1 1 58 58 ARG CA C 58 58.846 58.846 55.508 3.338 19436 2462 1 8 . 1 1 58 58 ARG H H 58 8.420 8.420 8.377 0.043 19436 2463 1 8 . 1 1 59 59 LYS N N 59 118.447 118.447 119.451 -1.004 19436 2464 1 8 . 1 1 59 59 LYS HA H 59 3.681 3.681 4.671 -0.990 19436 2465 1 8 . 1 1 59 59 LYS C C 59 176.846 176.846 175.195 1.651 19436 2466 1 8 . 1 1 59 59 LYS CA C 59 57.540 57.540 56.399 1.141 19436 2467 1 8 . 1 1 59 59 LYS CB C 59 30.572 30.572 32.708 -2.136 19436 2468 1 8 . 1 1 59 59 LYS H H 59 8.436 8.436 8.280 0.156 19436 2469 1 8 . 1 1 60 60 LYS N N 60 117.663 117.663 122.269 -4.606 19436 2470 1 8 . 1 1 60 60 LYS HA H 60 3.817 3.817 4.653 -0.836 19436 2471 1 8 . 1 1 60 60 LYS C C 60 177.762 177.762 175.553 2.209 19436 2472 1 8 . 1 1 60 60 LYS CA C 60 59.207 59.207 55.878 3.329 19436 2473 1 8 . 1 1 60 60 LYS CB C 60 32.269 32.269 35.510 -3.240 19436 2474 1 8 . 1 1 60 60 LYS H H 60 6.904 6.904 8.070 -1.166 19436 2475 1 8 . 1 1 61 61 SER N N 61 110.383 110.383 116.361 -5.978 19436 2476 1 8 . 1 1 61 61 SER HA H 61 4.527 4.527 5.174 -0.647 19436 2477 1 8 . 1 1 61 61 SER C C 61 174.006 174.006 172.787 1.219 19436 2478 1 8 . 1 1 61 61 SER CA C 61 58.671 58.671 57.636 1.035 19436 2479 1 8 . 1 1 61 61 SER CB C 61 64.444 64.444 65.434 -0.990 19436 2480 1 8 . 1 1 61 61 SER H H 61 7.381 7.381 8.526 -1.145 19436 2481 1 8 . 1 1 62 62 GLU N N 62 121.734 121.734 123.317 -1.583 19436 2482 1 8 . 1 1 62 62 GLU HA H 62 3.681 3.681 4.628 -0.947 19436 2483 1 8 . 1 1 62 62 GLU C C 62 172.751 172.751 174.646 -1.895 19436 2484 1 8 . 1 1 62 62 GLU CA C 62 52.861 52.861 55.725 -2.864 19436 2485 1 8 . 1 1 62 62 GLU CB C 62 30.206 30.206 30.728 -0.522 19436 2486 1 8 . 1 1 62 62 GLU H H 62 7.625 7.625 9.499 -1.874 19436 2487 1 8 . 1 1 63 63 PRO HA H 63 4.267 4.267 5.141 -0.874 19436 2488 1 8 . 1 1 63 63 PRO C C 63 176.541 176.541 176.993 -0.452 19436 2489 1 8 . 1 1 63 63 PRO CA C 63 64.621 64.621 61.579 3.042 19436 2490 1 8 . 1 1 63 63 PRO CB C 63 31.452 31.452 35.737 -4.285 19436 2491 1 8 . 1 1 64 64 TRP N N 64 115.298 115.298 120.996 -5.698 19436 2492 1 8 . 1 1 64 64 TRP HA H 64 4.645 4.645 4.806 -0.161 19436 2493 1 8 . 1 1 64 64 TRP C C 64 176.530 176.530 176.449 0.081 19436 2494 1 8 . 1 1 64 64 TRP CA C 64 56.604 56.604 57.652 -1.048 19436 2495 1 8 . 1 1 64 64 TRP CB C 64 28.026 28.026 31.533 -3.507 19436 2496 1 8 . 1 1 64 64 TRP H H 64 6.837 6.837 8.560 -1.723 19436 2497 1 8 . 1 1 65 65 LEU N N 65 125.040 125.040 125.899 -0.859 19436 2498 1 8 . 1 1 65 65 LEU HA H 65 4.149 4.149 4.461 -0.312 19436 2499 1 8 . 1 1 65 65 LEU C C 65 177.528 177.528 175.972 1.556 19436 2500 1 8 . 1 1 65 65 LEU CA C 65 56.277 56.277 55.485 0.792 19436 2501 1 8 . 1 1 65 65 LEU CB C 65 43.152 43.152 42.980 0.172 19436 2502 1 8 . 1 1 65 65 LEU H H 65 7.252 7.252 8.874 -1.622 19436 2503 1 8 . 1 1 66 66 ARG N N 66 128.225 128.225 117.121 11.104 19436 2504 1 8 . 1 1 66 66 ARG HA H 66 4.578 4.578 4.516 0.062 19436 2505 1 8 . 1 1 66 66 ARG C C 66 175.757 175.757 175.723 0.034 19436 2506 1 8 . 1 1 66 66 ARG CA C 66 55.105 55.105 54.713 0.392 19436 2507 1 8 . 1 1 66 66 ARG CB C 66 31.397 31.397 33.476 -2.079 19436 2508 1 8 . 1 1 66 66 ARG H H 66 8.892 8.892 7.940 0.952 19436 2509 1 8 . 1 1 67 67 LEU N N 67 127.896 127.896 121.665 6.231 19436 2510 1 8 . 1 1 67 67 LEU HA H 67 3.560 3.560 4.091 -0.531 19436 2511 1 8 . 1 1 67 67 LEU C C 67 175.383 175.383 175.634 -0.251 19436 2512 1 8 . 1 1 67 67 LEU CA C 67 54.595 54.595 54.605 -0.010 19436 2513 1 8 . 1 1 67 67 LEU H H 67 8.328 8.328 8.339 -0.011 19436 2514 1 8 . 1 1 68 68 ASP HA H 68 4.719 4.719 4.592 0.127 19436 2515 1 8 . 1 1 68 68 ASP C C 68 174.373 174.373 175.892 -1.519 19436 2516 1 8 . 1 1 68 68 ASP CA C 68 52.936 52.936 55.675 -2.739 19436 2517 1 8 . 1 1 68 68 ASP CB C 68 41.363 41.363 40.807 0.556 19436 2518 1 8 . 1 1 69 69 MET N N 69 122.596 122.596 116.884 5.712 19436 2519 1 8 . 1 1 69 69 MET HA H 69 4.539 4.539 4.643 -0.104 19436 2520 1 8 . 1 1 69 69 MET C C 69 174.798 174.798 175.478 -0.680 19436 2521 1 8 . 1 1 69 69 MET CA C 69 53.657 53.657 53.997 -0.340 19436 2522 1 8 . 1 1 69 69 MET CB C 69 33.356 33.356 31.892 1.464 19436 2523 1 8 . 1 1 69 69 MET H H 69 8.777 8.777 7.990 0.787 19436 2524 1 8 . 1 1 70 70 SER N N 70 116.028 116.028 114.937 1.091 19436 2525 1 8 . 1 1 70 70 SER HA H 70 4.183 4.183 4.417 -0.234 19436 2526 1 8 . 1 1 70 70 SER C C 70 173.995 173.995 175.615 -1.620 19436 2527 1 8 . 1 1 70 70 SER CA C 70 58.683 58.683 59.416 -0.733 19436 2528 1 8 . 1 1 70 70 SER CB C 70 64.826 64.826 62.893 1.933 19436 2529 1 8 . 1 1 70 70 SER H H 70 8.179 8.179 7.571 0.608 19436 2530 1 8 . 1 1 71 71 ASP N N 71 121.658 121.658 124.822 -3.164 19436 2531 1 8 . 1 1 71 71 ASP HA H 71 3.788 3.788 4.347 -0.559 19436 2532 1 8 . 1 1 71 71 ASP C C 71 176.757 176.757 175.934 0.823 19436 2533 1 8 . 1 1 71 71 ASP CA C 71 57.426 57.426 54.087 3.339 19436 2534 1 8 . 1 1 71 71 ASP H H 71 8.789 8.789 8.959 -0.170 19436 2535 1 8 . 1 1 72 72 LYS N N 72 116.258 116.258 120.022 -3.764 19436 2536 1 8 . 1 1 72 72 LYS HA H 72 3.751 3.751 4.887 -1.136 19436 2537 1 8 . 1 1 72 72 LYS C C 72 178.882 178.882 174.544 4.338 19436 2538 1 8 . 1 1 72 72 LYS CA C 72 59.891 59.891 52.850 7.040 19436 2539 1 8 . 1 1 72 72 LYS CB C 72 32.195 32.195 33.110 -0.915 19436 2540 1 8 . 1 1 72 72 LYS H H 72 7.876 7.876 8.052 -0.176 19436 2541 1 8 . 1 1 73 73 ALA HA H 73 3.939 3.939 4.772 -0.833 19436 2542 1 8 . 1 1 73 73 ALA C C 73 181.112 181.112 177.378 3.734 19436 2543 1 8 . 1 1 73 73 ALA CA C 73 55.118 55.118 51.264 3.854 19436 2544 1 8 . 1 1 73 73 ALA CB C 73 17.847 17.847 19.757 -1.910 19436 2545 1 8 . 1 1 74 74 ILE N N 74 119.583 119.583 115.773 3.810 19436 2546 1 8 . 1 1 74 74 ILE HA H 74 3.477 3.477 4.490 -1.013 19436 2547 1 8 . 1 1 74 74 ILE C C 74 177.697 177.697 176.242 1.455 19436 2548 1 8 . 1 1 74 74 ILE CA C 74 66.112 66.112 61.098 5.014 19436 2549 1 8 . 1 1 74 74 ILE CB C 74 37.678 37.678 39.356 -1.678 19436 2550 1 8 . 1 1 74 74 ILE H H 74 8.119 8.119 8.424 -0.305 19436 2551 1 8 . 1 1 75 75 PHE N N 75 117.768 117.768 116.510 1.258 19436 2552 1 8 . 1 1 75 75 PHE HA H 75 4.431 4.431 4.897 -0.466 19436 2553 1 8 . 1 1 75 75 PHE C C 75 177.987 177.987 175.599 2.388 19436 2554 1 8 . 1 1 75 75 PHE CA C 75 56.968 56.968 55.463 1.505 19436 2555 1 8 . 1 1 75 75 PHE CB C 75 37.281 37.281 42.149 -4.868 19436 2556 1 8 . 1 1 75 75 PHE H H 75 8.553 8.553 7.945 0.608 19436 2557 1 8 . 1 1 76 76 ARG N N 76 117.370 117.370 121.053 -3.683 19436 2558 1 8 . 1 1 76 76 ARG HA H 76 4.059 4.059 4.108 -0.049 19436 2559 1 8 . 1 1 76 76 ARG C C 76 177.520 177.520 178.598 -1.078 19436 2560 1 8 . 1 1 76 76 ARG CA C 76 58.690 58.690 60.135 -1.445 19436 2561 1 8 . 1 1 76 76 ARG CB C 76 30.417 30.417 29.844 0.573 19436 2562 1 8 . 1 1 76 76 ARG H H 76 7.532 7.532 8.856 -1.324 19436 2563 1 8 . 1 1 77 77 ARG N N 77 117.482 117.482 119.741 -2.259 19436 2564 1 8 . 1 1 77 77 ARG HA H 77 3.967 3.967 4.116 -0.149 19436 2565 1 8 . 1 1 77 77 ARG C C 77 176.168 176.168 178.157 -1.989 19436 2566 1 8 . 1 1 77 77 ARG CA C 77 57.472 57.472 58.869 -1.397 19436 2567 1 8 . 1 1 77 77 ARG CB C 77 31.746 31.746 29.698 2.048 19436 2568 1 8 . 1 1 77 77 ARG H H 77 7.222 7.222 8.243 -1.021 19436 2569 1 8 . 1 1 78 78 TYR N N 78 116.126 116.126 124.288 -8.162 19436 2570 1 8 . 1 1 78 78 TYR HA H 78 5.333 5.333 4.242 1.091 19436 2571 1 8 . 1 1 78 78 TYR C C 78 172.361 172.361 178.082 -5.721 19436 2572 1 8 . 1 1 78 78 TYR CB C 78 38.546 38.546 37.949 0.597 19436 2573 1 8 . 1 1 78 78 TYR H H 78 8.823 8.823 8.050 0.773 19436 2574 1 8 . 1 1 79 79 PRO HA H 79 4.441 4.441 4.005 0.436 19436 2575 1 8 . 1 1 79 79 PRO C C 79 178.491 178.491 179.436 -0.945 19436 2576 1 8 . 1 1 79 79 PRO CA C 79 64.854 64.854 66.171 -1.317 19436 2577 1 8 . 1 1 79 79 PRO CB C 79 31.694 31.694 31.091 0.603 19436 2578 1 8 . 1 1 80 80 HIS N N 80 115.604 115.604 117.482 -1.878 19436 2579 1 8 . 1 1 80 80 HIS HA H 80 4.549 4.549 4.234 0.315 19436 2580 1 8 . 1 1 80 80 HIS C C 80 176.202 176.202 177.617 -1.415 19436 2581 1 8 . 1 1 80 80 HIS CA C 80 58.597 58.597 59.596 -0.999 19436 2582 1 8 . 1 1 80 80 HIS CB C 80 29.685 29.685 29.849 -0.164 19436 2583 1 8 . 1 1 80 80 HIS H H 80 8.274 8.274 8.187 0.087 19436 2584 1 8 . 1 1 81 81 LEU N N 81 120.646 120.646 121.599 -0.953 19436 2585 1 8 . 1 1 81 81 LEU HA H 81 4.228 4.228 4.042 0.186 19436 2586 1 8 . 1 1 81 81 LEU C C 81 175.906 175.906 178.781 -2.875 19436 2587 1 8 . 1 1 81 81 LEU CA C 81 54.105 54.105 59.693 -5.588 19436 2588 1 8 . 1 1 81 81 LEU CB C 81 41.759 41.759 41.931 -0.172 19436 2589 1 8 . 1 1 81 81 LEU H H 81 7.609 7.609 8.199 -0.590 19436 2590 1 8 . 1 1 82 82 ARG N N 82 125.478 125.478 119.679 5.799 19436 2591 1 8 . 1 1 82 82 ARG C C 82 180.927 180.927 178.690 2.237 19436 2592 1 8 . 1 1 82 82 ARG H H 82 7.079 7.079 8.356 -1.277 19436 2593 1 9 . 1 1 2 2 PRO HA H 2 4.442 4.442 4.766 -0.324 19436 2594 1 9 . 1 1 2 2 PRO CA C 2 62.895 62.895 62.875 0.020 19436 2595 1 9 . 1 1 2 2 PRO CB C 2 31.958 31.958 33.728 -1.770 19436 2596 1 9 . 1 1 3 3 SER N N 3 117.584 117.584 117.459 0.125 19436 2597 1 9 . 1 1 3 3 SER H H 3 8.434 8.434 8.329 0.105 19436 2598 1 9 . 1 1 4 4 PRO HA H 4 4.442 4.442 4.424 0.018 19436 2599 1 9 . 1 1 4 4 PRO C C 4 176.912 176.912 174.956 1.956 19436 2600 1 9 . 1 1 4 4 PRO CA C 4 63.325 63.325 62.248 1.077 19436 2601 1 9 . 1 1 4 4 PRO CB C 4 32.011 32.011 33.643 -1.632 19436 2602 1 9 . 1 1 5 5 LEU N N 5 121.539 121.539 122.088 -0.549 19436 2603 1 9 . 1 1 5 5 LEU HA H 5 4.344 4.344 4.770 -0.426 19436 2604 1 9 . 1 1 5 5 LEU C C 5 177.549 177.549 174.976 2.573 19436 2605 1 9 . 1 1 5 5 LEU CA C 5 55.395 55.395 55.689 -0.294 19436 2606 1 9 . 1 1 5 5 LEU CB C 5 42.317 42.317 43.728 -1.411 19436 2607 1 9 . 1 1 5 5 LEU H H 5 8.281 8.281 8.353 -0.072 19436 2608 1 9 . 1 1 6 6 SER N N 6 116.435 116.435 118.690 -2.255 19436 2609 1 9 . 1 1 6 6 SER HA H 6 4.464 4.464 4.560 -0.096 19436 2610 1 9 . 1 1 6 6 SER C C 6 174.630 174.630 173.326 1.304 19436 2611 1 9 . 1 1 6 6 SER CA C 6 58.262 58.262 57.965 0.297 19436 2612 1 9 . 1 1 6 6 SER CB C 6 63.883 63.883 63.872 0.011 19436 2613 1 9 . 1 1 6 6 SER H H 6 8.250 8.250 8.346 -0.096 19436 2614 1 9 . 1 1 7 7 SER N N 7 117.774 117.774 115.592 2.182 19436 2615 1 9 . 1 1 7 7 SER HA H 7 4.481 4.481 4.474 0.007 19436 2616 1 9 . 1 1 7 7 SER C C 7 174.630 174.630 174.226 0.404 19436 2617 1 9 . 1 1 7 7 SER CA C 7 58.511 58.511 59.097 -0.586 19436 2618 1 9 . 1 1 7 7 SER CB C 7 63.827 63.827 63.632 0.195 19436 2619 1 9 . 1 1 7 7 SER H H 7 8.392 8.392 7.532 0.860 19436 2620 1 9 . 1 1 8 8 GLU N N 8 122.440 122.440 122.822 -0.382 19436 2621 1 9 . 1 1 8 8 GLU HA H 8 4.332 4.332 4.640 -0.308 19436 2622 1 9 . 1 1 8 8 GLU C C 8 176.591 176.591 175.226 1.365 19436 2623 1 9 . 1 1 8 8 GLU CA C 8 56.846 56.846 55.546 1.300 19436 2624 1 9 . 1 1 8 8 GLU CB C 8 30.125 30.125 31.335 -1.210 19436 2625 1 9 . 1 1 8 8 GLU H H 8 8.458 8.458 8.754 -0.296 19436 2626 1 9 . 1 1 9 9 SER N N 9 116.179 116.179 114.762 1.417 19436 2627 1 9 . 1 1 9 9 SER HA H 9 4.449 4.449 4.761 -0.312 19436 2628 1 9 . 1 1 9 9 SER C C 9 174.763 174.763 172.498 2.265 19436 2629 1 9 . 1 1 9 9 SER CA C 9 58.455 58.455 57.048 1.407 19436 2630 1 9 . 1 1 9 9 SER CB C 9 64.002 64.002 64.747 -0.745 19436 2631 1 9 . 1 1 9 9 SER H H 9 8.280 8.280 7.654 0.626 19436 2632 1 9 . 1 1 10 10 GLU N N 10 122.989 122.989 121.010 1.979 19436 2633 1 9 . 1 1 10 10 GLU HA H 10 4.212 4.212 4.306 -0.094 19436 2634 1 9 . 1 1 10 10 GLU C C 10 176.344 176.344 176.399 -0.055 19436 2635 1 9 . 1 1 10 10 GLU CA C 10 56.967 56.967 55.454 1.513 19436 2636 1 9 . 1 1 10 10 GLU CB C 10 30.176 30.176 30.948 -0.772 19436 2637 1 9 . 1 1 10 10 GLU H H 10 8.488 8.488 8.335 0.153 19436 2638 1 9 . 1 1 29 29 ALA N N 29 126.204 126.204 124.112 2.092 19436 2639 1 9 . 1 1 29 29 ALA HA H 29 4.487 4.487 4.615 -0.128 19436 2640 1 9 . 1 1 29 29 ALA C C 29 176.100 176.100 175.872 0.228 19436 2641 1 9 . 1 1 29 29 ALA CA C 29 51.192 51.192 51.630 -0.438 19436 2642 1 9 . 1 1 29 29 ALA CB C 29 20.176 20.176 21.203 -1.027 19436 2643 1 9 . 1 1 29 29 ALA H H 29 8.570 8.570 8.261 0.309 19436 2644 1 9 . 1 1 30 30 ALA N N 30 128.202 128.202 129.751 -1.549 19436 2645 1 9 . 1 1 30 30 ALA HA H 30 4.303 4.303 4.810 -0.507 19436 2646 1 9 . 1 1 30 30 ALA C C 30 176.096 176.096 176.048 0.048 19436 2647 1 9 . 1 1 30 30 ALA CA C 30 51.956 51.956 51.616 0.340 19436 2648 1 9 . 1 1 30 30 ALA CB C 30 18.945 18.945 19.539 -0.594 19436 2649 1 9 . 1 1 30 30 ALA H H 30 8.665 8.665 8.223 0.442 19436 2650 1 9 . 1 1 31 31 LEU N N 31 120.119 120.119 122.036 -1.917 19436 2651 1 9 . 1 1 31 31 LEU HA H 31 4.897 4.897 4.807 0.090 19436 2652 1 9 . 1 1 31 31 LEU C C 31 178.865 178.865 175.425 3.440 19436 2653 1 9 . 1 1 31 31 LEU CA C 31 52.051 52.051 54.048 -1.997 19436 2654 1 9 . 1 1 31 31 LEU CB C 31 44.147 44.147 43.132 1.015 19436 2655 1 9 . 1 1 31 31 LEU H H 31 8.034 8.034 7.926 0.108 19436 2656 1 9 . 1 1 32 32 HIS N N 32 122.302 122.302 118.595 3.707 19436 2657 1 9 . 1 1 32 32 HIS HA H 32 4.186 4.186 5.222 -1.036 19436 2658 1 9 . 1 1 32 32 HIS C C 32 177.524 177.524 172.769 4.755 19436 2659 1 9 . 1 1 32 32 HIS H H 32 8.573 8.573 9.501 -0.928 19436 2660 1 9 . 1 1 33 33 ALA HA H 33 4.411 4.411 4.977 -0.566 19436 2661 1 9 . 1 1 33 33 ALA CA C 33 53.433 53.433 51.353 2.080 19436 2662 1 9 . 1 1 33 33 ALA CB C 33 20.342 20.342 19.027 1.315 19436 2663 1 9 . 1 1 34 34 GLU HA H 34 4.684 4.684 4.657 0.027 19436 2664 1 9 . 1 1 34 34 GLU CA C 34 54.841 54.841 56.392 -1.552 19436 2665 1 9 . 1 1 34 34 GLU CB C 34 33.102 33.102 31.091 2.011 19436 2666 1 9 . 1 1 35 35 GLY N N 35 108.193 108.193 109.328 -1.135 19436 2667 1 9 . 1 1 35 35 GLY H H 35 8.661 8.661 8.528 0.133 19436 2668 1 9 . 1 1 36 36 PRO HA H 36 4.278 4.278 4.737 -0.459 19436 2669 1 9 . 1 1 36 36 PRO C C 36 177.885 177.885 175.564 2.321 19436 2670 1 9 . 1 1 36 36 PRO CA C 36 64.598 64.598 62.677 1.921 19436 2671 1 9 . 1 1 36 36 PRO CB C 36 31.945 31.945 32.742 -0.797 19436 2672 1 9 . 1 1 37 37 LEU N N 37 117.378 117.378 118.423 -1.045 19436 2673 1 9 . 1 1 37 37 LEU HA H 37 4.256 4.256 4.804 -0.548 19436 2674 1 9 . 1 1 37 37 LEU C C 37 174.928 174.928 175.841 -0.913 19436 2675 1 9 . 1 1 37 37 LEU CA C 37 52.682 52.682 54.200 -1.518 19436 2676 1 9 . 1 1 37 37 LEU CB C 37 40.999 40.999 44.830 -3.831 19436 2677 1 9 . 1 1 37 37 LEU H H 37 8.557 8.557 8.458 0.099 19436 2678 1 9 . 1 1 38 38 ALA N N 38 120.501 120.501 121.651 -1.150 19436 2679 1 9 . 1 1 38 38 ALA HA H 38 3.476 3.476 4.507 -1.031 19436 2680 1 9 . 1 1 38 38 ALA C C 38 178.760 178.760 177.089 1.671 19436 2681 1 9 . 1 1 38 38 ALA CA C 38 53.756 53.756 52.009 1.747 19436 2682 1 9 . 1 1 38 38 ALA CB C 38 17.949 17.949 19.741 -1.792 19436 2683 1 9 . 1 1 38 38 ALA H H 38 7.202 7.202 8.549 -1.347 19436 2684 1 9 . 1 1 39 39 GLY N N 39 108.963 108.963 109.958 -0.995 19436 2685 1 9 . 1 1 39 39 GLY C C 39 173.272 173.272 173.067 0.205 19436 2686 1 9 . 1 1 39 39 GLY CA C 39 45.183 45.183 44.758 0.425 19436 2687 1 9 . 1 1 39 39 GLY H H 39 8.942 8.942 7.841 1.101 19436 2688 1 9 . 1 1 40 40 LEU N N 40 120.080 120.080 123.297 -3.217 19436 2689 1 9 . 1 1 40 40 LEU HA H 40 4.830 4.830 4.528 0.302 19436 2690 1 9 . 1 1 40 40 LEU C C 40 174.422 174.422 175.464 -1.042 19436 2691 1 9 . 1 1 40 40 LEU CB C 40 41.282 41.282 43.132 -1.850 19436 2692 1 9 . 1 1 40 40 LEU H H 40 8.216 8.216 8.382 -0.166 19436 2693 1 9 . 1 1 41 41 PRO HA H 41 4.803 4.803 4.597 0.206 19436 2694 1 9 . 1 1 41 41 PRO CA C 41 61.528 61.528 62.908 -1.380 19436 2695 1 9 . 1 1 41 41 PRO CB C 41 31.384 31.384 32.969 -1.585 19436 2696 1 9 . 1 1 42 42 VAL N N 42 121.846 121.846 121.801 0.045 19436 2697 1 9 . 1 1 42 42 VAL HA H 42 3.510 3.510 4.133 -0.623 19436 2698 1 9 . 1 1 42 42 VAL CA C 42 65.888 65.888 63.865 2.023 19436 2699 1 9 . 1 1 42 42 VAL CB C 42 31.208 31.208 31.607 -0.399 19436 2700 1 9 . 1 1 42 42 VAL H H 42 7.784 7.784 8.542 -0.758 19436 2701 1 9 . 1 1 43 43 THR N N 43 109.158 109.158 112.274 -3.116 19436 2702 1 9 . 1 1 43 43 THR HA H 43 4.996 4.996 4.210 0.786 19436 2703 1 9 . 1 1 43 43 THR CA C 43 59.964 59.964 63.778 -3.814 19436 2704 1 9 . 1 1 43 43 THR CB C 43 12.133 12.133 68.982 -56.849 19436 2705 1 9 . 1 1 43 43 THR H H 43 8.911 8.911 7.923 0.988 19436 2706 1 9 . 1 1 44 44 ARG N N 44 120.175 120.175 117.620 2.555 19436 2707 1 9 . 1 1 44 44 ARG HA H 44 3.936 3.936 4.472 -0.536 19436 2708 1 9 . 1 1 44 44 ARG CA C 44 60.596 60.596 55.988 4.608 19436 2709 1 9 . 1 1 44 44 ARG CB C 44 29.617 29.617 32.248 -2.631 19436 2710 1 9 . 1 1 44 44 ARG H H 44 9.305 9.305 7.673 1.632 19436 2711 1 9 . 1 1 45 45 SER N N 45 114.367 114.367 117.248 -2.881 19436 2712 1 9 . 1 1 45 45 SER HA H 45 4.118 4.118 4.666 -0.548 19436 2713 1 9 . 1 1 45 45 SER CA C 45 62.355 62.355 57.819 4.536 19436 2714 1 9 . 1 1 45 45 SER CB C 45 62.355 62.355 62.097 0.258 19436 2715 1 9 . 1 1 45 45 SER H H 45 8.192 8.192 7.815 0.377 19436 2716 1 9 . 1 1 46 46 ASP N N 46 120.511 120.511 124.718 -4.207 19436 2717 1 9 . 1 1 46 46 ASP HA H 46 4.396 4.396 4.707 -0.311 19436 2718 1 9 . 1 1 46 46 ASP C C 46 177.220 177.220 175.079 2.141 19436 2719 1 9 . 1 1 46 46 ASP CA C 46 58.113 58.113 54.111 4.002 19436 2720 1 9 . 1 1 46 46 ASP CB C 46 43.287 43.287 42.859 0.428 19436 2721 1 9 . 1 1 46 46 ASP H H 46 7.354 7.354 8.566 -1.212 19436 2722 1 9 . 1 1 47 47 ALA N N 47 120.606 120.606 121.492 -0.886 19436 2723 1 9 . 1 1 47 47 ALA HA H 47 3.736 3.736 4.433 -0.697 19436 2724 1 9 . 1 1 47 47 ALA C C 47 178.603 178.603 175.645 2.958 19436 2725 1 9 . 1 1 47 47 ALA CA C 47 54.879 54.879 52.308 2.571 19436 2726 1 9 . 1 1 47 47 ALA CB C 47 19.739 19.739 20.503 -0.763 19436 2727 1 9 . 1 1 47 47 ALA H H 47 7.838 7.838 7.665 0.173 19436 2728 1 9 . 1 1 48 48 ARG N N 48 116.233 116.233 125.373 -9.140 19436 2729 1 9 . 1 1 48 48 ARG HA H 48 3.796 3.796 4.141 -0.345 19436 2730 1 9 . 1 1 48 48 ARG C C 48 177.903 177.903 174.110 3.793 19436 2731 1 9 . 1 1 48 48 ARG CA C 48 61.517 61.517 56.110 5.407 19436 2732 1 9 . 1 1 48 48 ARG CB C 48 30.351 30.351 30.905 -0.554 19436 2733 1 9 . 1 1 48 48 ARG H H 48 8.060 8.060 7.858 0.202 19436 2734 1 9 . 1 1 49 49 VAL N N 49 119.026 119.026 117.248 1.778 19436 2735 1 9 . 1 1 49 49 VAL HA H 49 3.636 3.636 4.342 -0.706 19436 2736 1 9 . 1 1 49 49 VAL C C 49 177.817 177.817 174.120 3.697 19436 2737 1 9 . 1 1 49 49 VAL CA C 49 67.018 67.018 58.969 8.049 19436 2738 1 9 . 1 1 49 49 VAL CB C 49 31.821 31.821 31.470 0.351 19436 2739 1 9 . 1 1 49 49 VAL H H 49 7.413 7.413 6.469 0.944 19436 2740 1 9 . 1 1 50 50 LEU HA H 50 4.113 4.113 4.732 -0.619 19436 2741 1 9 . 1 1 50 50 LEU C C 50 180.992 180.992 175.061 5.931 19436 2742 1 9 . 1 1 50 50 LEU CA C 50 58.382 58.382 53.841 4.541 19436 2743 1 9 . 1 1 50 50 LEU CB C 50 41.668 41.668 41.627 0.041 19436 2744 1 9 . 1 1 51 51 ILE HA H 51 3.698 3.698 4.411 -0.713 19436 2745 1 9 . 1 1 51 51 ILE C C 51 178.708 178.708 175.196 3.512 19436 2746 1 9 . 1 1 51 51 ILE CA C 51 65.868 65.868 61.148 4.721 19436 2747 1 9 . 1 1 51 51 ILE CB C 51 38.755 38.755 39.344 -0.589 19436 2748 1 9 . 1 1 52 52 PHE N N 52 123.370 123.370 118.977 4.393 19436 2749 1 9 . 1 1 52 52 PHE HA H 52 4.174 4.174 4.559 -0.385 19436 2750 1 9 . 1 1 52 52 PHE C C 52 176.998 176.998 175.546 1.452 19436 2751 1 9 . 1 1 52 52 PHE CA C 52 62.566 62.566 58.351 4.215 19436 2752 1 9 . 1 1 52 52 PHE CB C 52 39.295 39.295 39.834 -0.540 19436 2753 1 9 . 1 1 52 52 PHE H H 52 8.748 8.748 8.568 0.180 19436 2754 1 9 . 1 1 53 53 ASN N N 53 117.944 117.944 119.029 -1.085 19436 2755 1 9 . 1 1 53 53 ASN HA H 53 4.478 4.478 4.975 -0.497 19436 2756 1 9 . 1 1 53 53 ASN C C 53 178.706 178.706 173.882 4.824 19436 2757 1 9 . 1 1 53 53 ASN CA C 53 56.027 56.027 52.894 3.134 19436 2758 1 9 . 1 1 53 53 ASN CB C 53 37.883 37.883 39.262 -1.379 19436 2759 1 9 . 1 1 53 53 ASN H H 53 8.990 8.990 8.006 0.984 19436 2760 1 9 . 1 1 54 54 GLU N N 54 121.168 121.168 122.720 -1.552 19436 2761 1 9 . 1 1 54 54 GLU HA H 54 4.123 4.123 4.554 -0.431 19436 2762 1 9 . 1 1 54 54 GLU C C 54 177.753 177.753 175.318 2.435 19436 2763 1 9 . 1 1 54 54 GLU CA C 54 59.415 59.415 56.070 3.345 19436 2764 1 9 . 1 1 54 54 GLU CB C 54 30.146 30.146 30.175 -0.029 19436 2765 1 9 . 1 1 54 54 GLU H H 54 8.177 8.177 8.355 -0.178 19436 2766 1 9 . 1 1 55 55 TRP N N 55 122.549 122.549 121.230 1.319 19436 2767 1 9 . 1 1 55 55 TRP HA H 55 4.018 4.018 4.417 -0.399 19436 2768 1 9 . 1 1 55 55 TRP C C 55 176.647 176.647 175.724 0.923 19436 2769 1 9 . 1 1 55 55 TRP CA C 55 61.743 61.743 59.468 2.275 19436 2770 1 9 . 1 1 55 55 TRP CB C 55 27.960 27.960 28.117 -0.157 19436 2771 1 9 . 1 1 55 55 TRP H H 55 8.160 8.160 8.518 -0.358 19436 2772 1 9 . 1 1 56 56 GLU N N 56 117.397 117.397 119.208 -1.811 19436 2773 1 9 . 1 1 56 56 GLU HA H 56 2.962 2.962 4.679 -1.717 19436 2774 1 9 . 1 1 56 56 GLU C C 56 178.417 178.417 174.562 3.855 19436 2775 1 9 . 1 1 56 56 GLU CA C 56 59.739 59.739 55.325 4.413 19436 2776 1 9 . 1 1 56 56 GLU CB C 56 29.601 29.601 30.588 -0.987 19436 2777 1 9 . 1 1 56 56 GLU H H 56 8.558 8.558 8.693 -0.135 19436 2778 1 9 . 1 1 57 57 GLU HA H 57 4.049 4.049 4.638 -0.589 19436 2779 1 9 . 1 1 57 57 GLU C C 57 179.462 179.462 176.629 2.833 19436 2780 1 9 . 1 1 57 57 GLU CA C 57 58.264 58.264 56.285 1.979 19436 2781 1 9 . 1 1 57 57 GLU CB C 57 29.826 29.826 30.397 -0.571 19436 2782 1 9 . 1 1 58 58 ARG N N 58 120.321 120.321 119.985 0.336 19436 2783 1 9 . 1 1 58 58 ARG HA H 58 3.922 3.922 4.191 -0.269 19436 2784 1 9 . 1 1 58 58 ARG C C 58 178.832 178.832 174.505 4.327 19436 2785 1 9 . 1 1 58 58 ARG CA C 58 58.846 58.846 55.240 3.606 19436 2786 1 9 . 1 1 58 58 ARG H H 58 8.420 8.420 8.076 0.344 19436 2787 1 9 . 1 1 59 59 LYS N N 59 118.447 118.447 121.045 -2.598 19436 2788 1 9 . 1 1 59 59 LYS HA H 59 3.681 3.681 4.594 -0.913 19436 2789 1 9 . 1 1 59 59 LYS C C 59 176.846 176.846 174.821 2.025 19436 2790 1 9 . 1 1 59 59 LYS CA C 59 57.540 57.540 56.674 0.866 19436 2791 1 9 . 1 1 59 59 LYS CB C 59 30.572 30.572 34.148 -3.576 19436 2792 1 9 . 1 1 59 59 LYS H H 59 8.436 8.436 8.314 0.122 19436 2793 1 9 . 1 1 60 60 LYS N N 60 117.663 117.663 120.857 -3.194 19436 2794 1 9 . 1 1 60 60 LYS HA H 60 3.817 3.817 4.708 -0.891 19436 2795 1 9 . 1 1 60 60 LYS C C 60 177.762 177.762 175.820 1.942 19436 2796 1 9 . 1 1 60 60 LYS CA C 60 59.207 59.207 56.277 2.930 19436 2797 1 9 . 1 1 60 60 LYS CB C 60 32.269 32.269 35.888 -3.619 19436 2798 1 9 . 1 1 60 60 LYS H H 60 6.904 6.904 8.548 -1.644 19436 2799 1 9 . 1 1 61 61 SER N N 61 110.383 110.383 116.016 -5.633 19436 2800 1 9 . 1 1 61 61 SER HA H 61 4.527 4.527 5.157 -0.630 19436 2801 1 9 . 1 1 61 61 SER C C 61 174.006 174.006 172.874 1.132 19436 2802 1 9 . 1 1 61 61 SER CA C 61 58.671 58.671 57.513 1.159 19436 2803 1 9 . 1 1 61 61 SER CB C 61 64.444 64.444 65.198 -0.754 19436 2804 1 9 . 1 1 61 61 SER H H 61 7.381 7.381 8.527 -1.146 19436 2805 1 9 . 1 1 62 62 GLU N N 62 121.734 121.734 123.633 -1.899 19436 2806 1 9 . 1 1 62 62 GLU HA H 62 3.681 3.681 4.596 -0.914 19436 2807 1 9 . 1 1 62 62 GLU C C 62 172.751 172.751 174.653 -1.902 19436 2808 1 9 . 1 1 62 62 GLU CA C 62 52.861 52.861 55.760 -2.899 19436 2809 1 9 . 1 1 62 62 GLU CB C 62 30.206 30.206 30.705 -0.499 19436 2810 1 9 . 1 1 62 62 GLU H H 62 7.625 7.625 9.458 -1.833 19436 2811 1 9 . 1 1 63 63 PRO HA H 63 4.267 4.267 5.125 -0.858 19436 2812 1 9 . 1 1 63 63 PRO C C 63 176.541 176.541 177.014 -0.473 19436 2813 1 9 . 1 1 63 63 PRO CA C 63 64.621 64.621 61.591 3.030 19436 2814 1 9 . 1 1 63 63 PRO CB C 63 31.452 31.452 35.668 -4.216 19436 2815 1 9 . 1 1 64 64 TRP N N 64 115.298 115.298 121.002 -5.704 19436 2816 1 9 . 1 1 64 64 TRP HA H 64 4.645 4.645 4.810 -0.165 19436 2817 1 9 . 1 1 64 64 TRP C C 64 176.530 176.530 176.397 0.133 19436 2818 1 9 . 1 1 64 64 TRP CA C 64 56.604 56.604 57.641 -1.037 19436 2819 1 9 . 1 1 64 64 TRP CB C 64 28.026 28.026 31.660 -3.634 19436 2820 1 9 . 1 1 64 64 TRP H H 64 6.837 6.837 8.564 -1.727 19436 2821 1 9 . 1 1 65 65 LEU N N 65 125.040 125.040 125.552 -0.512 19436 2822 1 9 . 1 1 65 65 LEU HA H 65 4.149 4.149 4.483 -0.334 19436 2823 1 9 . 1 1 65 65 LEU C C 65 177.528 177.528 175.891 1.637 19436 2824 1 9 . 1 1 65 65 LEU CA C 65 56.277 56.277 55.341 0.936 19436 2825 1 9 . 1 1 65 65 LEU CB C 65 43.152 43.152 43.072 0.080 19436 2826 1 9 . 1 1 65 65 LEU H H 65 7.252 7.252 8.854 -1.602 19436 2827 1 9 . 1 1 66 66 ARG N N 66 128.225 128.225 117.435 10.790 19436 2828 1 9 . 1 1 66 66 ARG HA H 66 4.578 4.578 4.519 0.059 19436 2829 1 9 . 1 1 66 66 ARG C C 66 175.757 175.757 175.759 -0.002 19436 2830 1 9 . 1 1 66 66 ARG CA C 66 55.105 55.105 54.721 0.384 19436 2831 1 9 . 1 1 66 66 ARG CB C 66 31.397 31.397 33.458 -2.061 19436 2832 1 9 . 1 1 66 66 ARG H H 66 8.892 8.892 7.938 0.954 19436 2833 1 9 . 1 1 67 67 LEU N N 67 127.896 127.896 121.873 6.023 19436 2834 1 9 . 1 1 67 67 LEU HA H 67 3.560 3.560 4.085 -0.525 19436 2835 1 9 . 1 1 67 67 LEU C C 67 175.383 175.383 175.647 -0.264 19436 2836 1 9 . 1 1 67 67 LEU CA C 67 54.595 54.595 54.671 -0.076 19436 2837 1 9 . 1 1 67 67 LEU H H 67 8.328 8.328 8.352 -0.024 19436 2838 1 9 . 1 1 68 68 ASP HA H 68 4.719 4.719 4.589 0.130 19436 2839 1 9 . 1 1 68 68 ASP C C 68 174.373 174.373 175.895 -1.522 19436 2840 1 9 . 1 1 68 68 ASP CA C 68 52.936 52.936 55.662 -2.726 19436 2841 1 9 . 1 1 68 68 ASP CB C 68 41.363 41.363 40.812 0.551 19436 2842 1 9 . 1 1 69 69 MET N N 69 122.596 122.596 116.904 5.692 19436 2843 1 9 . 1 1 69 69 MET HA H 69 4.539 4.539 4.627 -0.088 19436 2844 1 9 . 1 1 69 69 MET C C 69 174.798 174.798 175.501 -0.703 19436 2845 1 9 . 1 1 69 69 MET CA C 69 53.657 53.657 54.072 -0.415 19436 2846 1 9 . 1 1 69 69 MET CB C 69 33.356 33.356 31.969 1.387 19436 2847 1 9 . 1 1 69 69 MET H H 69 8.777 8.777 7.951 0.826 19436 2848 1 9 . 1 1 70 70 SER N N 70 116.028 116.028 115.023 1.005 19436 2849 1 9 . 1 1 70 70 SER HA H 70 4.183 4.183 4.456 -0.273 19436 2850 1 9 . 1 1 70 70 SER C C 70 173.995 173.995 175.478 -1.483 19436 2851 1 9 . 1 1 70 70 SER CA C 70 58.683 58.683 59.330 -0.647 19436 2852 1 9 . 1 1 70 70 SER CB C 70 64.826 64.826 62.636 2.190 19436 2853 1 9 . 1 1 70 70 SER H H 70 8.179 8.179 7.591 0.588 19436 2854 1 9 . 1 1 71 71 ASP N N 71 121.658 121.658 125.972 -4.314 19436 2855 1 9 . 1 1 71 71 ASP HA H 71 3.788 3.788 4.390 -0.602 19436 2856 1 9 . 1 1 71 71 ASP C C 71 176.757 176.757 175.603 1.154 19436 2857 1 9 . 1 1 71 71 ASP CA C 71 57.426 57.426 54.067 3.359 19436 2858 1 9 . 1 1 71 71 ASP H H 71 8.789 8.789 9.062 -0.273 19436 2859 1 9 . 1 1 72 72 LYS N N 72 116.258 116.258 120.422 -4.164 19436 2860 1 9 . 1 1 72 72 LYS HA H 72 3.751 3.751 4.859 -1.108 19436 2861 1 9 . 1 1 72 72 LYS C C 72 178.882 178.882 174.769 4.113 19436 2862 1 9 . 1 1 72 72 LYS CA C 72 59.891 59.891 53.543 6.348 19436 2863 1 9 . 1 1 72 72 LYS CB C 72 32.195 32.195 33.312 -1.117 19436 2864 1 9 . 1 1 72 72 LYS H H 72 7.876 7.876 7.972 -0.096 19436 2865 1 9 . 1 1 73 73 ALA HA H 73 3.939 3.939 4.725 -0.786 19436 2866 1 9 . 1 1 73 73 ALA C C 73 181.112 181.112 177.653 3.459 19436 2867 1 9 . 1 1 73 73 ALA CA C 73 55.118 55.118 51.390 3.728 19436 2868 1 9 . 1 1 73 73 ALA CB C 73 17.847 17.847 19.725 -1.878 19436 2869 1 9 . 1 1 74 74 ILE N N 74 119.583 119.583 116.486 3.097 19436 2870 1 9 . 1 1 74 74 ILE HA H 74 3.477 3.477 4.479 -1.002 19436 2871 1 9 . 1 1 74 74 ILE C C 74 177.697 177.697 176.414 1.283 19436 2872 1 9 . 1 1 74 74 ILE CA C 74 66.112 66.112 61.461 4.651 19436 2873 1 9 . 1 1 74 74 ILE CB C 74 37.678 37.678 39.167 -1.489 19436 2874 1 9 . 1 1 74 74 ILE H H 74 8.119 8.119 8.278 -0.159 19436 2875 1 9 . 1 1 75 75 PHE N N 75 117.768 117.768 115.617 2.151 19436 2876 1 9 . 1 1 75 75 PHE HA H 75 4.431 4.431 4.783 -0.352 19436 2877 1 9 . 1 1 75 75 PHE C C 75 177.987 177.987 175.903 2.084 19436 2878 1 9 . 1 1 75 75 PHE CA C 75 56.968 56.968 55.068 1.900 19436 2879 1 9 . 1 1 75 75 PHE CB C 75 37.281 37.281 42.404 -5.123 19436 2880 1 9 . 1 1 75 75 PHE H H 75 8.553 8.553 8.127 0.426 19436 2881 1 9 . 1 1 76 76 ARG N N 76 117.370 117.370 122.087 -4.717 19436 2882 1 9 . 1 1 76 76 ARG HA H 76 4.059 4.059 3.980 0.079 19436 2883 1 9 . 1 1 76 76 ARG C C 76 177.520 177.520 178.150 -0.630 19436 2884 1 9 . 1 1 76 76 ARG CA C 76 58.690 58.690 60.269 -1.579 19436 2885 1 9 . 1 1 76 76 ARG CB C 76 30.417 30.417 30.234 0.183 19436 2886 1 9 . 1 1 76 76 ARG H H 76 7.532 7.532 8.763 -1.231 19436 2887 1 9 . 1 1 77 77 ARG N N 77 117.482 117.482 118.569 -1.087 19436 2888 1 9 . 1 1 77 77 ARG HA H 77 3.967 3.967 4.049 -0.082 19436 2889 1 9 . 1 1 77 77 ARG C C 77 176.168 176.168 178.237 -2.069 19436 2890 1 9 . 1 1 77 77 ARG CA C 77 57.472 57.472 59.284 -1.812 19436 2891 1 9 . 1 1 77 77 ARG CB C 77 31.746 31.746 29.672 2.074 19436 2892 1 9 . 1 1 77 77 ARG H H 77 7.222 7.222 8.272 -1.050 19436 2893 1 9 . 1 1 78 78 TYR N N 78 116.126 116.126 122.185 -6.059 19436 2894 1 9 . 1 1 78 78 TYR HA H 78 5.333 5.333 4.219 1.114 19436 2895 1 9 . 1 1 78 78 TYR C C 78 172.361 172.361 178.067 -5.706 19436 2896 1 9 . 1 1 78 78 TYR CB C 78 38.546 38.546 37.984 0.562 19436 2897 1 9 . 1 1 78 78 TYR H H 78 8.823 8.823 7.918 0.905 19436 2898 1 9 . 1 1 79 79 PRO HA H 79 4.441 4.441 3.904 0.537 19436 2899 1 9 . 1 1 79 79 PRO C C 79 178.491 178.491 179.329 -0.838 19436 2900 1 9 . 1 1 79 79 PRO CA C 79 64.854 64.854 66.166 -1.312 19436 2901 1 9 . 1 1 79 79 PRO CB C 79 31.694 31.694 30.966 0.728 19436 2902 1 9 . 1 1 80 80 HIS N N 80 115.604 115.604 117.412 -1.808 19436 2903 1 9 . 1 1 80 80 HIS HA H 80 4.549 4.549 4.231 0.318 19436 2904 1 9 . 1 1 80 80 HIS C C 80 176.202 176.202 177.586 -1.384 19436 2905 1 9 . 1 1 80 80 HIS CA C 80 58.597 58.597 59.465 -0.868 19436 2906 1 9 . 1 1 80 80 HIS CB C 80 29.685 29.685 29.831 -0.146 19436 2907 1 9 . 1 1 80 80 HIS H H 80 8.274 8.274 7.999 0.275 19436 2908 1 9 . 1 1 81 81 LEU N N 81 120.646 120.646 121.731 -1.085 19436 2909 1 9 . 1 1 81 81 LEU HA H 81 4.228 4.228 3.994 0.234 19436 2910 1 9 . 1 1 81 81 LEU C C 81 175.906 175.906 178.551 -2.645 19436 2911 1 9 . 1 1 81 81 LEU CA C 81 54.105 54.105 59.789 -5.684 19436 2912 1 9 . 1 1 81 81 LEU CB C 81 41.759 41.759 41.917 -0.158 19436 2913 1 9 . 1 1 81 81 LEU H H 81 7.609 7.609 8.309 -0.701 19436 2914 1 9 . 1 1 82 82 ARG N N 82 125.478 125.478 119.777 5.701 19436 2915 1 9 . 1 1 82 82 ARG C C 82 180.927 180.927 178.614 2.313 19436 2916 1 9 . 1 1 82 82 ARG H H 82 7.079 7.079 8.363 -1.284 19436 2917 1 10 . 1 1 2 2 PRO HA H 2 4.442 4.442 4.656 -0.214 19436 2918 1 10 . 1 1 2 2 PRO CA C 2 62.895 62.895 63.174 -0.279 19436 2919 1 10 . 1 1 2 2 PRO CB C 2 31.958 31.958 32.405 -0.447 19436 2920 1 10 . 1 1 3 3 SER N N 3 117.584 117.584 116.633 0.951 19436 2921 1 10 . 1 1 3 3 SER H H 3 8.434 8.434 8.997 -0.563 19436 2922 1 10 . 1 1 4 4 PRO HA H 4 4.442 4.442 4.516 -0.074 19436 2923 1 10 . 1 1 4 4 PRO C C 4 176.912 176.912 177.321 -0.409 19436 2924 1 10 . 1 1 4 4 PRO CA C 4 63.325 63.325 63.020 0.305 19436 2925 1 10 . 1 1 4 4 PRO CB C 4 32.011 32.011 32.607 -0.596 19436 2926 1 10 . 1 1 5 5 LEU N N 5 121.539 121.539 124.615 -3.076 19436 2927 1 10 . 1 1 5 5 LEU HA H 5 4.344 4.344 4.717 -0.373 19436 2928 1 10 . 1 1 5 5 LEU C C 5 177.549 177.549 175.573 1.976 19436 2929 1 10 . 1 1 5 5 LEU CA C 5 55.395 55.395 54.739 0.657 19436 2930 1 10 . 1 1 5 5 LEU CB C 5 42.317 42.317 43.325 -1.008 19436 2931 1 10 . 1 1 5 5 LEU H H 5 8.281 8.281 7.837 0.444 19436 2932 1 10 . 1 1 6 6 SER N N 6 116.435 116.435 116.180 0.255 19436 2933 1 10 . 1 1 6 6 SER HA H 6 4.464 4.464 4.722 -0.258 19436 2934 1 10 . 1 1 6 6 SER C C 6 174.630 174.630 172.298 2.332 19436 2935 1 10 . 1 1 6 6 SER CA C 6 58.262 58.262 57.395 0.867 19436 2936 1 10 . 1 1 6 6 SER CB C 6 63.883 63.883 64.890 -1.007 19436 2937 1 10 . 1 1 6 6 SER H H 6 8.250 8.250 7.697 0.553 19436 2938 1 10 . 1 1 7 7 SER N N 7 117.774 117.774 115.871 1.903 19436 2939 1 10 . 1 1 7 7 SER HA H 7 4.481 4.481 4.450 0.031 19436 2940 1 10 . 1 1 7 7 SER C C 7 174.630 174.630 174.261 0.369 19436 2941 1 10 . 1 1 7 7 SER CA C 7 58.511 58.511 57.635 0.876 19436 2942 1 10 . 1 1 7 7 SER CB C 7 63.827 63.827 65.558 -1.730 19436 2943 1 10 . 1 1 7 7 SER H H 7 8.392 8.392 9.200 -0.808 19436 2944 1 10 . 1 1 8 8 GLU N N 8 122.440 122.440 122.391 0.049 19436 2945 1 10 . 1 1 8 8 GLU HA H 8 4.332 4.332 4.415 -0.083 19436 2946 1 10 . 1 1 8 8 GLU C C 8 176.591 176.591 176.119 0.472 19436 2947 1 10 . 1 1 8 8 GLU CA C 8 56.846 56.846 56.636 0.210 19436 2948 1 10 . 1 1 8 8 GLU CB C 8 30.125 30.125 30.436 -0.310 19436 2949 1 10 . 1 1 8 8 GLU H H 8 8.458 8.458 7.821 0.637 19436 2950 1 10 . 1 1 9 9 SER N N 9 116.179 116.179 117.414 -1.235 19436 2951 1 10 . 1 1 9 9 SER HA H 9 4.449 4.449 4.635 -0.186 19436 2952 1 10 . 1 1 9 9 SER C C 9 174.763 174.763 173.791 0.972 19436 2953 1 10 . 1 1 9 9 SER CA C 9 58.455 58.455 58.553 -0.098 19436 2954 1 10 . 1 1 9 9 SER CB C 9 64.002 64.002 64.044 -0.042 19436 2955 1 10 . 1 1 9 9 SER H H 9 8.280 8.280 7.977 0.303 19436 2956 1 10 . 1 1 10 10 GLU N N 10 122.989 122.989 123.732 -0.743 19436 2957 1 10 . 1 1 10 10 GLU HA H 10 4.212 4.212 4.417 -0.205 19436 2958 1 10 . 1 1 10 10 GLU C C 10 176.344 176.344 174.876 1.468 19436 2959 1 10 . 1 1 10 10 GLU CA C 10 56.967 56.967 56.235 0.732 19436 2960 1 10 . 1 1 10 10 GLU CB C 10 30.176 30.176 30.868 -0.692 19436 2961 1 10 . 1 1 10 10 GLU H H 10 8.488 8.488 8.245 0.243 19436 2962 1 10 . 1 1 29 29 ALA N N 29 126.204 126.204 122.520 3.684 19436 2963 1 10 . 1 1 29 29 ALA HA H 29 4.487 4.487 4.727 -0.240 19436 2964 1 10 . 1 1 29 29 ALA C C 29 176.100 176.100 177.616 -1.516 19436 2965 1 10 . 1 1 29 29 ALA CA C 29 51.192 51.192 51.781 -0.589 19436 2966 1 10 . 1 1 29 29 ALA CB C 29 20.176 20.176 20.238 -0.062 19436 2967 1 10 . 1 1 29 29 ALA H H 29 8.570 8.570 8.380 0.190 19436 2968 1 10 . 1 1 30 30 ALA N N 30 128.202 128.202 127.122 1.080 19436 2969 1 10 . 1 1 30 30 ALA HA H 30 4.303 4.303 4.182 0.121 19436 2970 1 10 . 1 1 30 30 ALA C C 30 176.096 176.096 176.167 -0.071 19436 2971 1 10 . 1 1 30 30 ALA CA C 30 51.956 51.956 52.867 -0.911 19436 2972 1 10 . 1 1 30 30 ALA CB C 30 18.945 18.945 17.640 1.305 19436 2973 1 10 . 1 1 30 30 ALA H H 30 8.665 8.665 7.672 0.993 19436 2974 1 10 . 1 1 31 31 LEU N N 31 120.119 120.119 122.222 -2.103 19436 2975 1 10 . 1 1 31 31 LEU HA H 31 4.897 4.897 4.585 0.312 19436 2976 1 10 . 1 1 31 31 LEU C C 31 178.865 178.865 176.623 2.242 19436 2977 1 10 . 1 1 31 31 LEU CA C 31 52.051 52.051 54.187 -2.136 19436 2978 1 10 . 1 1 31 31 LEU CB C 31 44.147 44.147 43.847 0.300 19436 2979 1 10 . 1 1 31 31 LEU H H 31 8.034 8.034 7.738 0.296 19436 2980 1 10 . 1 1 32 32 HIS N N 32 122.302 122.302 119.345 2.957 19436 2981 1 10 . 1 1 32 32 HIS HA H 32 4.186 4.186 5.016 -0.830 19436 2982 1 10 . 1 1 32 32 HIS C C 32 177.524 177.524 173.264 4.260 19436 2983 1 10 . 1 1 32 32 HIS H H 32 8.573 8.573 9.258 -0.685 19436 2984 1 10 . 1 1 33 33 ALA HA H 33 4.411 4.411 4.749 -0.338 19436 2985 1 10 . 1 1 33 33 ALA CA C 33 53.433 53.433 51.180 2.253 19436 2986 1 10 . 1 1 33 33 ALA CB C 33 20.342 20.342 20.166 0.176 19436 2987 1 10 . 1 1 34 34 GLU HA H 34 4.684 4.684 4.454 0.230 19436 2988 1 10 . 1 1 34 34 GLU CA C 34 54.841 54.841 56.261 -1.420 19436 2989 1 10 . 1 1 34 34 GLU CB C 34 33.102 33.102 30.468 2.634 19436 2990 1 10 . 1 1 35 35 GLY N N 35 108.193 108.193 110.276 -2.083 19436 2991 1 10 . 1 1 35 35 GLY H H 35 8.661 8.661 8.348 0.313 19436 2992 1 10 . 1 1 36 36 PRO HA H 36 4.278 4.278 4.550 -0.272 19436 2993 1 10 . 1 1 36 36 PRO C C 36 177.885 177.885 175.698 2.187 19436 2994 1 10 . 1 1 36 36 PRO CA C 36 64.598 64.598 63.458 1.140 19436 2995 1 10 . 1 1 36 36 PRO CB C 36 31.945 31.945 32.196 -0.251 19436 2996 1 10 . 1 1 37 37 LEU N N 37 117.378 117.378 122.821 -5.443 19436 2997 1 10 . 1 1 37 37 LEU HA H 37 4.256 4.256 4.644 -0.388 19436 2998 1 10 . 1 1 37 37 LEU C C 37 174.928 174.928 175.156 -0.228 19436 2999 1 10 . 1 1 37 37 LEU CA C 37 52.682 52.682 54.898 -2.216 19436 3000 1 10 . 1 1 37 37 LEU CB C 37 40.999 40.999 43.586 -2.587 19436 3001 1 10 . 1 1 37 37 LEU H H 37 8.557 8.557 8.175 0.382 19436 3002 1 10 . 1 1 38 38 ALA N N 38 120.501 120.501 127.475 -6.974 19436 3003 1 10 . 1 1 38 38 ALA HA H 38 3.476 3.476 4.611 -1.135 19436 3004 1 10 . 1 1 38 38 ALA C C 38 178.760 178.760 175.573 3.187 19436 3005 1 10 . 1 1 38 38 ALA CA C 38 53.756 53.756 52.363 1.393 19436 3006 1 10 . 1 1 38 38 ALA CB C 38 17.949 17.949 19.572 -1.623 19436 3007 1 10 . 1 1 38 38 ALA H H 38 7.202 7.202 8.416 -1.214 19436 3008 1 10 . 1 1 39 39 GLY N N 39 108.963 108.963 114.845 -5.882 19436 3009 1 10 . 1 1 39 39 GLY C C 39 173.272 173.272 173.513 -0.241 19436 3010 1 10 . 1 1 39 39 GLY CA C 39 45.183 45.183 45.775 -0.592 19436 3011 1 10 . 1 1 39 39 GLY H H 39 8.942 8.942 8.702 0.240 19436 3012 1 10 . 1 1 40 40 LEU N N 40 120.080 120.080 123.013 -2.933 19436 3013 1 10 . 1 1 40 40 LEU HA H 40 4.830 4.830 4.468 0.362 19436 3014 1 10 . 1 1 40 40 LEU C C 40 174.422 174.422 176.348 -1.926 19436 3015 1 10 . 1 1 40 40 LEU CB C 40 41.282 41.282 42.468 -1.186 19436 3016 1 10 . 1 1 40 40 LEU H H 40 8.216 8.216 8.509 -0.293 19436 3017 1 10 . 1 1 41 41 PRO HA H 41 4.803 4.803 4.220 0.583 19436 3018 1 10 . 1 1 41 41 PRO CA C 41 61.528 61.528 63.694 -2.166 19436 3019 1 10 . 1 1 41 41 PRO CB C 41 31.384 31.384 31.558 -0.173 19436 3020 1 10 . 1 1 42 42 VAL N N 42 121.846 121.846 122.836 -0.990 19436 3021 1 10 . 1 1 42 42 VAL HA H 42 3.510 3.510 3.789 -0.279 19436 3022 1 10 . 1 1 42 42 VAL CA C 42 65.888 65.888 63.714 2.174 19436 3023 1 10 . 1 1 42 42 VAL CB C 42 31.208 31.208 30.721 0.486 19436 3024 1 10 . 1 1 42 42 VAL H H 42 7.784 7.784 8.696 -0.912 19436 3025 1 10 . 1 1 43 43 THR N N 43 109.158 109.158 113.545 -4.387 19436 3026 1 10 . 1 1 43 43 THR HA H 43 4.996 4.996 4.211 0.785 19436 3027 1 10 . 1 1 43 43 THR CA C 43 59.964 59.964 64.133 -4.169 19436 3028 1 10 . 1 1 43 43 THR CB C 43 12.133 12.133 69.696 -57.563 19436 3029 1 10 . 1 1 43 43 THR H H 43 8.911 8.911 7.801 1.110 19436 3030 1 10 . 1 1 44 44 ARG N N 44 120.175 120.175 116.498 3.677 19436 3031 1 10 . 1 1 44 44 ARG HA H 44 3.936 3.936 4.472 -0.536 19436 3032 1 10 . 1 1 44 44 ARG CA C 44 60.596 60.596 55.949 4.647 19436 3033 1 10 . 1 1 44 44 ARG CB C 44 29.617 29.617 30.936 -1.319 19436 3034 1 10 . 1 1 44 44 ARG H H 44 9.305 9.305 8.346 0.959 19436 3035 1 10 . 1 1 45 45 SER N N 45 114.367 114.367 117.621 -3.254 19436 3036 1 10 . 1 1 45 45 SER HA H 45 4.118 4.118 4.633 -0.515 19436 3037 1 10 . 1 1 45 45 SER CA C 45 62.355 62.355 56.719 5.636 19436 3038 1 10 . 1 1 45 45 SER CB C 45 62.355 62.355 60.069 2.286 19436 3039 1 10 . 1 1 45 45 SER H H 45 8.192 8.192 8.072 0.120 19436 3040 1 10 . 1 1 46 46 ASP N N 46 120.511 120.511 125.662 -5.151 19436 3041 1 10 . 1 1 46 46 ASP HA H 46 4.396 4.396 4.813 -0.417 19436 3042 1 10 . 1 1 46 46 ASP C C 46 177.220 177.220 174.670 2.550 19436 3043 1 10 . 1 1 46 46 ASP CA C 46 58.113 58.113 54.252 3.861 19436 3044 1 10 . 1 1 46 46 ASP CB C 46 43.287 43.287 42.566 0.722 19436 3045 1 10 . 1 1 46 46 ASP H H 46 7.354 7.354 7.884 -0.530 19436 3046 1 10 . 1 1 47 47 ALA N N 47 120.606 120.606 128.078 -7.472 19436 3047 1 10 . 1 1 47 47 ALA HA H 47 3.736 3.736 4.526 -0.790 19436 3048 1 10 . 1 1 47 47 ALA C C 47 178.603 178.603 177.827 0.776 19436 3049 1 10 . 1 1 47 47 ALA CA C 47 54.879 54.879 52.009 2.870 19436 3050 1 10 . 1 1 47 47 ALA CB C 47 19.739 19.739 20.571 -0.832 19436 3051 1 10 . 1 1 47 47 ALA H H 47 7.838 7.838 8.321 -0.483 19436 3052 1 10 . 1 1 48 48 ARG N N 48 116.233 116.233 118.866 -2.633 19436 3053 1 10 . 1 1 48 48 ARG HA H 48 3.796 3.796 4.551 -0.755 19436 3054 1 10 . 1 1 48 48 ARG C C 48 177.903 177.903 176.409 1.494 19436 3055 1 10 . 1 1 48 48 ARG CA C 48 61.517 61.517 56.813 4.704 19436 3056 1 10 . 1 1 48 48 ARG CB C 48 30.351 30.351 31.653 -1.302 19436 3057 1 10 . 1 1 48 48 ARG H H 48 8.060 8.060 8.420 -0.360 19436 3058 1 10 . 1 1 49 49 VAL N N 49 119.026 119.026 122.112 -3.086 19436 3059 1 10 . 1 1 49 49 VAL HA H 49 3.636 3.636 4.406 -0.770 19436 3060 1 10 . 1 1 49 49 VAL C C 49 177.817 177.817 173.932 3.885 19436 3061 1 10 . 1 1 49 49 VAL CA C 49 67.018 67.018 59.984 7.034 19436 3062 1 10 . 1 1 49 49 VAL CB C 49 31.821 31.821 32.501 -0.680 19436 3063 1 10 . 1 1 49 49 VAL H H 49 7.413 7.413 7.816 -0.403 19436 3064 1 10 . 1 1 50 50 LEU HA H 50 4.113 4.113 4.675 -0.562 19436 3065 1 10 . 1 1 50 50 LEU C C 50 180.992 180.992 175.043 5.949 19436 3066 1 10 . 1 1 50 50 LEU CA C 50 58.382 58.382 53.689 4.693 19436 3067 1 10 . 1 1 50 50 LEU CB C 50 41.668 41.668 41.606 0.062 19436 3068 1 10 . 1 1 51 51 ILE HA H 51 3.698 3.698 4.476 -0.778 19436 3069 1 10 . 1 1 51 51 ILE C C 51 178.708 178.708 174.998 3.710 19436 3070 1 10 . 1 1 51 51 ILE CA C 51 65.868 65.868 61.033 4.835 19436 3071 1 10 . 1 1 51 51 ILE CB C 51 38.755 38.755 39.303 -0.548 19436 3072 1 10 . 1 1 52 52 PHE N N 52 123.370 123.370 118.242 5.128 19436 3073 1 10 . 1 1 52 52 PHE HA H 52 4.174 4.174 4.675 -0.501 19436 3074 1 10 . 1 1 52 52 PHE C C 52 176.998 176.998 174.677 2.321 19436 3075 1 10 . 1 1 52 52 PHE CA C 52 62.566 62.566 57.781 4.785 19436 3076 1 10 . 1 1 52 52 PHE CB C 52 39.295 39.295 39.983 -0.688 19436 3077 1 10 . 1 1 52 52 PHE H H 52 8.748 8.748 8.549 0.199 19436 3078 1 10 . 1 1 53 53 ASN N N 53 117.944 117.944 119.352 -1.408 19436 3079 1 10 . 1 1 53 53 ASN HA H 53 4.478 4.478 4.931 -0.453 19436 3080 1 10 . 1 1 53 53 ASN C C 53 178.706 178.706 174.283 4.423 19436 3081 1 10 . 1 1 53 53 ASN CA C 53 56.027 56.027 52.649 3.378 19436 3082 1 10 . 1 1 53 53 ASN CB C 53 37.883 37.883 39.938 -2.055 19436 3083 1 10 . 1 1 53 53 ASN H H 53 8.990 8.990 8.077 0.913 19436 3084 1 10 . 1 1 54 54 GLU N N 54 121.168 121.168 119.908 1.260 19436 3085 1 10 . 1 1 54 54 GLU HA H 54 4.123 4.123 4.460 -0.337 19436 3086 1 10 . 1 1 54 54 GLU C C 54 177.753 177.753 175.295 2.458 19436 3087 1 10 . 1 1 54 54 GLU CA C 54 59.415 59.415 55.856 3.559 19436 3088 1 10 . 1 1 54 54 GLU CB C 54 30.146 30.146 30.636 -0.490 19436 3089 1 10 . 1 1 54 54 GLU H H 54 8.177 8.177 8.038 0.139 19436 3090 1 10 . 1 1 55 55 TRP N N 55 122.549 122.549 121.323 1.226 19436 3091 1 10 . 1 1 55 55 TRP HA H 55 4.018 4.018 4.375 -0.357 19436 3092 1 10 . 1 1 55 55 TRP C C 55 176.647 176.647 175.888 0.759 19436 3093 1 10 . 1 1 55 55 TRP CA C 55 61.743 61.743 59.621 2.122 19436 3094 1 10 . 1 1 55 55 TRP CB C 55 27.960 27.960 27.664 0.296 19436 3095 1 10 . 1 1 55 55 TRP H H 55 8.160 8.160 8.610 -0.450 19436 3096 1 10 . 1 1 56 56 GLU N N 56 117.397 117.397 118.943 -1.546 19436 3097 1 10 . 1 1 56 56 GLU HA H 56 2.962 2.962 4.466 -1.504 19436 3098 1 10 . 1 1 56 56 GLU C C 56 178.417 178.417 174.451 3.966 19436 3099 1 10 . 1 1 56 56 GLU CA C 56 59.739 59.739 54.602 5.138 19436 3100 1 10 . 1 1 56 56 GLU CB C 56 29.601 29.601 30.231 -0.630 19436 3101 1 10 . 1 1 56 56 GLU H H 56 8.558 8.558 8.504 0.054 19436 3102 1 10 . 1 1 57 57 GLU HA H 57 4.049 4.049 4.455 -0.406 19436 3103 1 10 . 1 1 57 57 GLU C C 57 179.462 179.462 177.733 1.729 19436 3104 1 10 . 1 1 57 57 GLU CA C 57 58.264 58.264 56.339 1.925 19436 3105 1 10 . 1 1 57 57 GLU CB C 57 29.826 29.826 30.538 -0.712 19436 3106 1 10 . 1 1 58 58 ARG N N 58 120.321 120.321 123.352 -3.031 19436 3107 1 10 . 1 1 58 58 ARG HA H 58 3.922 3.922 3.944 -0.022 19436 3108 1 10 . 1 1 58 58 ARG C C 58 178.832 178.832 175.728 3.104 19436 3109 1 10 . 1 1 58 58 ARG CA C 58 58.846 58.846 56.456 2.390 19436 3110 1 10 . 1 1 58 58 ARG H H 58 8.420 8.420 8.731 -0.311 19436 3111 1 10 . 1 1 59 59 LYS N N 59 118.447 118.447 119.519 -1.072 19436 3112 1 10 . 1 1 59 59 LYS HA H 59 3.681 3.681 3.974 -0.293 19436 3113 1 10 . 1 1 59 59 LYS C C 59 176.846 176.846 176.345 0.501 19436 3114 1 10 . 1 1 59 59 LYS CA C 59 57.540 57.540 57.037 0.503 19436 3115 1 10 . 1 1 59 59 LYS CB C 59 30.572 30.572 31.680 -1.108 19436 3116 1 10 . 1 1 59 59 LYS H H 59 8.436 8.436 7.960 0.476 19436 3117 1 10 . 1 1 60 60 LYS N N 60 117.663 117.663 119.518 -1.855 19436 3118 1 10 . 1 1 60 60 LYS HA H 60 3.817 3.817 4.253 -0.436 19436 3119 1 10 . 1 1 60 60 LYS C C 60 177.762 177.762 176.611 1.151 19436 3120 1 10 . 1 1 60 60 LYS CA C 60 59.207 59.207 56.923 2.284 19436 3121 1 10 . 1 1 60 60 LYS CB C 60 32.269 32.269 32.840 -0.571 19436 3122 1 10 . 1 1 60 60 LYS H H 60 6.904 6.904 7.965 -1.061 19436 3123 1 10 . 1 1 61 61 SER N N 61 110.383 110.383 117.191 -6.808 19436 3124 1 10 . 1 1 61 61 SER HA H 61 4.527 4.527 4.867 -0.340 19436 3125 1 10 . 1 1 61 61 SER C C 61 174.006 174.006 172.361 1.645 19436 3126 1 10 . 1 1 61 61 SER CA C 61 58.671 58.671 56.978 1.693 19436 3127 1 10 . 1 1 61 61 SER CB C 61 64.444 64.444 66.114 -1.670 19436 3128 1 10 . 1 1 61 61 SER H H 61 7.381 7.381 8.052 -0.671 19436 3129 1 10 . 1 1 62 62 GLU N N 62 121.734 121.734 120.762 0.972 19436 3130 1 10 . 1 1 62 62 GLU HA H 62 3.681 3.681 4.793 -1.111 19436 3131 1 10 . 1 1 62 62 GLU C C 62 172.751 172.751 174.836 -2.085 19436 3132 1 10 . 1 1 62 62 GLU CA C 62 52.861 52.861 55.123 -2.262 19436 3133 1 10 . 1 1 62 62 GLU CB C 62 30.206 30.206 30.872 -0.666 19436 3134 1 10 . 1 1 62 62 GLU H H 62 7.625 7.625 9.301 -1.676 19436 3135 1 10 . 1 1 63 63 PRO HA H 63 4.267 4.267 5.033 -0.766 19436 3136 1 10 . 1 1 63 63 PRO C C 63 176.541 176.541 177.011 -0.470 19436 3137 1 10 . 1 1 63 63 PRO CA C 63 64.621 64.621 61.209 3.413 19436 3138 1 10 . 1 1 63 63 PRO CB C 63 31.452 31.452 35.525 -4.073 19436 3139 1 10 . 1 1 64 64 TRP N N 64 115.298 115.298 120.905 -5.607 19436 3140 1 10 . 1 1 64 64 TRP HA H 64 4.645 4.645 4.730 -0.085 19436 3141 1 10 . 1 1 64 64 TRP C C 64 176.530 176.530 176.654 -0.124 19436 3142 1 10 . 1 1 64 64 TRP CA C 64 56.604 56.604 57.894 -1.290 19436 3143 1 10 . 1 1 64 64 TRP CB C 64 28.026 28.026 31.332 -3.306 19436 3144 1 10 . 1 1 64 64 TRP H H 64 6.837 6.837 8.625 -1.788 19436 3145 1 10 . 1 1 65 65 LEU N N 65 125.040 125.040 126.156 -1.116 19436 3146 1 10 . 1 1 65 65 LEU HA H 65 4.149 4.149 4.430 -0.281 19436 3147 1 10 . 1 1 65 65 LEU C C 65 177.528 177.528 175.464 2.064 19436 3148 1 10 . 1 1 65 65 LEU CA C 65 56.277 56.277 55.367 0.910 19436 3149 1 10 . 1 1 65 65 LEU CB C 65 43.152 43.152 42.823 0.329 19436 3150 1 10 . 1 1 65 65 LEU H H 65 7.252 7.252 8.877 -1.625 19436 3151 1 10 . 1 1 66 66 ARG N N 66 128.225 128.225 117.073 11.152 19436 3152 1 10 . 1 1 66 66 ARG HA H 66 4.578 4.578 4.481 0.097 19436 3153 1 10 . 1 1 66 66 ARG C C 66 175.757 175.757 175.766 -0.009 19436 3154 1 10 . 1 1 66 66 ARG CA C 66 55.105 55.105 54.587 0.518 19436 3155 1 10 . 1 1 66 66 ARG CB C 66 31.397 31.397 32.423 -1.026 19436 3156 1 10 . 1 1 66 66 ARG H H 66 8.892 8.892 7.907 0.985 19436 3157 1 10 . 1 1 67 67 LEU N N 67 127.896 127.896 121.038 6.858 19436 3158 1 10 . 1 1 67 67 LEU HA H 67 3.560 3.560 4.080 -0.520 19436 3159 1 10 . 1 1 67 67 LEU C C 67 175.383 175.383 175.940 -0.557 19436 3160 1 10 . 1 1 67 67 LEU CA C 67 54.595 54.595 54.442 0.153 19436 3161 1 10 . 1 1 67 67 LEU H H 67 8.328 8.328 8.367 -0.039 19436 3162 1 10 . 1 1 68 68 ASP HA H 68 4.719 4.719 4.566 0.153 19436 3163 1 10 . 1 1 68 68 ASP C C 68 174.373 174.373 175.746 -1.373 19436 3164 1 10 . 1 1 68 68 ASP CA C 68 52.936 52.936 55.733 -2.797 19436 3165 1 10 . 1 1 68 68 ASP CB C 68 41.363 41.363 40.851 0.512 19436 3166 1 10 . 1 1 69 69 MET N N 69 122.596 122.596 116.735 5.861 19436 3167 1 10 . 1 1 69 69 MET HA H 69 4.539 4.539 4.611 -0.072 19436 3168 1 10 . 1 1 69 69 MET C C 69 174.798 174.798 175.365 -0.567 19436 3169 1 10 . 1 1 69 69 MET CA C 69 53.657 53.657 53.812 -0.155 19436 3170 1 10 . 1 1 69 69 MET CB C 69 33.356 33.356 31.647 1.709 19436 3171 1 10 . 1 1 69 69 MET H H 69 8.777 8.777 7.977 0.800 19436 3172 1 10 . 1 1 70 70 SER N N 70 116.028 116.028 114.492 1.536 19436 3173 1 10 . 1 1 70 70 SER HA H 70 4.183 4.183 4.322 -0.139 19436 3174 1 10 . 1 1 70 70 SER C C 70 173.995 173.995 175.778 -1.783 19436 3175 1 10 . 1 1 70 70 SER CA C 70 58.683 58.683 59.401 -0.718 19436 3176 1 10 . 1 1 70 70 SER CB C 70 64.826 64.826 62.770 2.056 19436 3177 1 10 . 1 1 70 70 SER H H 70 8.179 8.179 7.632 0.547 19436 3178 1 10 . 1 1 71 71 ASP N N 71 121.658 121.658 123.909 -2.251 19436 3179 1 10 . 1 1 71 71 ASP HA H 71 3.788 3.788 4.237 -0.449 19436 3180 1 10 . 1 1 71 71 ASP C C 71 176.757 176.757 175.621 1.136 19436 3181 1 10 . 1 1 71 71 ASP CA C 71 57.426 57.426 54.041 3.385 19436 3182 1 10 . 1 1 71 71 ASP H H 71 8.789 8.789 8.990 -0.201 19436 3183 1 10 . 1 1 72 72 LYS N N 72 116.258 116.258 120.151 -3.893 19436 3184 1 10 . 1 1 72 72 LYS HA H 72 3.751 3.751 4.843 -1.092 19436 3185 1 10 . 1 1 72 72 LYS C C 72 178.882 178.882 174.452 4.430 19436 3186 1 10 . 1 1 72 72 LYS CA C 72 59.891 59.891 52.884 7.007 19436 3187 1 10 . 1 1 72 72 LYS CB C 72 32.195 32.195 32.974 -0.779 19436 3188 1 10 . 1 1 72 72 LYS H H 72 7.876 7.876 8.056 -0.180 19436 3189 1 10 . 1 1 73 73 ALA HA H 73 3.939 3.939 4.803 -0.864 19436 3190 1 10 . 1 1 73 73 ALA C C 73 181.112 181.112 177.170 3.942 19436 3191 1 10 . 1 1 73 73 ALA CA C 73 55.118 55.118 50.858 4.260 19436 3192 1 10 . 1 1 73 73 ALA CB C 73 17.847 17.847 19.995 -2.148 19436 3193 1 10 . 1 1 74 74 ILE N N 74 119.583 119.583 118.060 1.523 19436 3194 1 10 . 1 1 74 74 ILE HA H 74 3.477 3.477 4.291 -0.814 19436 3195 1 10 . 1 1 74 74 ILE C C 74 177.697 177.697 176.464 1.233 19436 3196 1 10 . 1 1 74 74 ILE CA C 74 66.112 66.112 62.155 3.957 19436 3197 1 10 . 1 1 74 74 ILE CB C 74 37.678 37.678 38.787 -1.109 19436 3198 1 10 . 1 1 74 74 ILE H H 74 8.119 8.119 8.089 0.030 19436 3199 1 10 . 1 1 75 75 PHE N N 75 117.768 117.768 115.911 1.857 19436 3200 1 10 . 1 1 75 75 PHE HA H 75 4.431 4.431 4.916 -0.485 19436 3201 1 10 . 1 1 75 75 PHE C C 75 177.987 177.987 175.755 2.232 19436 3202 1 10 . 1 1 75 75 PHE CA C 75 56.968 56.968 55.379 1.589 19436 3203 1 10 . 1 1 75 75 PHE CB C 75 37.281 37.281 42.126 -4.845 19436 3204 1 10 . 1 1 75 75 PHE H H 75 8.553 8.553 7.989 0.564 19436 3205 1 10 . 1 1 76 76 ARG N N 76 117.370 117.370 120.416 -3.046 19436 3206 1 10 . 1 1 76 76 ARG HA H 76 4.059 4.059 3.961 0.098 19436 3207 1 10 . 1 1 76 76 ARG C C 76 177.520 177.520 178.308 -0.788 19436 3208 1 10 . 1 1 76 76 ARG CA C 76 58.690 58.690 60.649 -1.959 19436 3209 1 10 . 1 1 76 76 ARG CB C 76 30.417 30.417 29.823 0.594 19436 3210 1 10 . 1 1 76 76 ARG H H 76 7.532 7.532 8.787 -1.255 19436 3211 1 10 . 1 1 77 77 ARG N N 77 117.482 117.482 120.374 -2.892 19436 3212 1 10 . 1 1 77 77 ARG HA H 77 3.967 3.967 3.992 -0.025 19436 3213 1 10 . 1 1 77 77 ARG C C 77 176.168 176.168 177.801 -1.633 19436 3214 1 10 . 1 1 77 77 ARG CA C 77 57.472 57.472 59.799 -2.327 19436 3215 1 10 . 1 1 77 77 ARG CB C 77 31.746 31.746 29.878 1.869 19436 3216 1 10 . 1 1 77 77 ARG H H 77 7.222 7.222 8.338 -1.116 19436 3217 1 10 . 1 1 78 78 TYR N N 78 116.126 116.126 122.347 -6.221 19436 3218 1 10 . 1 1 78 78 TYR HA H 78 5.333 5.333 4.255 1.078 19436 3219 1 10 . 1 1 78 78 TYR C C 78 172.361 172.361 177.990 -5.629 19436 3220 1 10 . 1 1 78 78 TYR CB C 78 38.546 38.546 38.005 0.541 19436 3221 1 10 . 1 1 78 78 TYR H H 78 8.823 8.823 7.762 1.061 19436 3222 1 10 . 1 1 79 79 PRO HA H 79 4.441 4.441 4.036 0.405 19436 3223 1 10 . 1 1 79 79 PRO C C 79 178.491 178.491 179.396 -0.905 19436 3224 1 10 . 1 1 79 79 PRO CA C 79 64.854 64.854 66.218 -1.364 19436 3225 1 10 . 1 1 79 79 PRO CB C 79 31.694 31.694 31.145 0.549 19436 3226 1 10 . 1 1 80 80 HIS N N 80 115.604 115.604 117.509 -1.905 19436 3227 1 10 . 1 1 80 80 HIS HA H 80 4.549 4.549 4.245 0.304 19436 3228 1 10 . 1 1 80 80 HIS C C 80 176.202 176.202 177.548 -1.346 19436 3229 1 10 . 1 1 80 80 HIS CA C 80 58.597 58.597 59.482 -0.885 19436 3230 1 10 . 1 1 80 80 HIS CB C 80 29.685 29.685 29.817 -0.132 19436 3231 1 10 . 1 1 80 80 HIS H H 80 8.274 8.274 8.087 0.187 19436 3232 1 10 . 1 1 81 81 LEU N N 81 120.646 120.646 122.258 -1.612 19436 3233 1 10 . 1 1 81 81 LEU HA H 81 4.228 4.228 3.962 0.266 19436 3234 1 10 . 1 1 81 81 LEU C C 81 175.906 175.906 178.449 -2.543 19436 3235 1 10 . 1 1 81 81 LEU CA C 81 54.105 54.105 59.853 -5.748 19436 3236 1 10 . 1 1 81 81 LEU CB C 81 41.759 41.759 41.834 -0.075 19436 3237 1 10 . 1 1 81 81 LEU H H 81 7.609 7.609 8.284 -0.675 19436 3238 1 10 . 1 1 82 82 ARG N N 82 125.478 125.478 119.062 6.416 19436 3239 1 10 . 1 1 82 82 ARG C C 82 180.927 180.927 178.833 2.094 19436 3240 1 10 . 1 1 82 82 ARG H H 82 7.079 7.079 8.495 -1.415 19436 3241 1 11 . 1 1 2 2 PRO HA H 2 4.442 4.442 4.721 -0.279 19436 3242 1 11 . 1 1 2 2 PRO CA C 2 62.895 62.895 62.630 0.265 19436 3243 1 11 . 1 1 2 2 PRO CB C 2 31.958 31.958 33.182 -1.224 19436 3244 1 11 . 1 1 3 3 SER N N 3 117.584 117.584 116.745 0.839 19436 3245 1 11 . 1 1 3 3 SER H H 3 8.434 8.434 8.447 -0.013 19436 3246 1 11 . 1 1 4 4 PRO HA H 4 4.442 4.442 4.389 0.053 19436 3247 1 11 . 1 1 4 4 PRO C C 4 176.912 176.912 176.946 -0.034 19436 3248 1 11 . 1 1 4 4 PRO CA C 4 63.325 63.325 63.726 -0.401 19436 3249 1 11 . 1 1 4 4 PRO CB C 4 32.011 32.011 32.210 -0.199 19436 3250 1 11 . 1 1 5 5 LEU N N 5 121.539 121.539 126.801 -5.262 19436 3251 1 11 . 1 1 5 5 LEU HA H 5 4.344 4.344 4.560 -0.216 19436 3252 1 11 . 1 1 5 5 LEU C C 5 177.549 177.549 177.203 0.346 19436 3253 1 11 . 1 1 5 5 LEU CA C 5 55.395 55.395 54.941 0.455 19436 3254 1 11 . 1 1 5 5 LEU CB C 5 42.317 42.317 42.902 -0.585 19436 3255 1 11 . 1 1 5 5 LEU H H 5 8.281 8.281 8.736 -0.455 19436 3256 1 11 . 1 1 6 6 SER N N 6 116.435 116.435 114.625 1.810 19436 3257 1 11 . 1 1 6 6 SER HA H 6 4.464 4.464 4.472 -0.008 19436 3258 1 11 . 1 1 6 6 SER C C 6 174.630 174.630 175.298 -0.668 19436 3259 1 11 . 1 1 6 6 SER CA C 6 58.262 58.262 58.723 -0.461 19436 3260 1 11 . 1 1 6 6 SER CB C 6 63.883 63.883 62.157 1.726 19436 3261 1 11 . 1 1 6 6 SER H H 6 8.250 8.250 8.173 0.077 19436 3262 1 11 . 1 1 7 7 SER N N 7 117.774 117.774 115.420 2.354 19436 3263 1 11 . 1 1 7 7 SER HA H 7 4.481 4.481 4.327 0.154 19436 3264 1 11 . 1 1 7 7 SER C C 7 174.630 174.630 175.929 -1.299 19436 3265 1 11 . 1 1 7 7 SER CA C 7 58.511 58.511 59.306 -0.795 19436 3266 1 11 . 1 1 7 7 SER CB C 7 63.827 63.827 62.950 0.877 19436 3267 1 11 . 1 1 7 7 SER H H 7 8.392 8.392 7.959 0.433 19436 3268 1 11 . 1 1 8 8 GLU N N 8 122.440 122.440 121.105 1.335 19436 3269 1 11 . 1 1 8 8 GLU HA H 8 4.332 4.332 4.317 0.015 19436 3270 1 11 . 1 1 8 8 GLU C C 8 176.591 176.591 176.096 0.495 19436 3271 1 11 . 1 1 8 8 GLU CA C 8 56.846 56.846 55.493 1.353 19436 3272 1 11 . 1 1 8 8 GLU CB C 8 30.125 30.125 27.456 2.669 19436 3273 1 11 . 1 1 8 8 GLU H H 8 8.458 8.458 7.939 0.519 19436 3274 1 11 . 1 1 9 9 SER N N 9 116.179 116.179 117.409 -1.230 19436 3275 1 11 . 1 1 9 9 SER HA H 9 4.449 4.449 4.371 0.078 19436 3276 1 11 . 1 1 9 9 SER C C 9 174.763 174.763 173.823 0.940 19436 3277 1 11 . 1 1 9 9 SER CA C 9 58.455 58.455 59.254 -0.799 19436 3278 1 11 . 1 1 9 9 SER CB C 9 64.002 64.002 63.653 0.349 19436 3279 1 11 . 1 1 9 9 SER H H 9 8.280 8.280 7.973 0.307 19436 3280 1 11 . 1 1 10 10 GLU N N 10 122.989 122.989 123.094 -0.105 19436 3281 1 11 . 1 1 10 10 GLU HA H 10 4.212 4.212 4.215 -0.003 19436 3282 1 11 . 1 1 10 10 GLU C C 10 176.344 176.344 174.308 2.036 19436 3283 1 11 . 1 1 10 10 GLU CA C 10 56.967 56.967 55.931 1.036 19436 3284 1 11 . 1 1 10 10 GLU CB C 10 30.176 30.176 31.584 -1.408 19436 3285 1 11 . 1 1 10 10 GLU H H 10 8.488 8.488 8.120 0.368 19436 3286 1 11 . 1 1 29 29 ALA N N 29 126.204 126.204 124.444 1.760 19436 3287 1 11 . 1 1 29 29 ALA HA H 29 4.487 4.487 4.637 -0.150 19436 3288 1 11 . 1 1 29 29 ALA C C 29 176.100 176.100 175.819 0.281 19436 3289 1 11 . 1 1 29 29 ALA CA C 29 51.192 51.192 51.840 -0.647 19436 3290 1 11 . 1 1 29 29 ALA CB C 29 20.176 20.176 20.980 -0.804 19436 3291 1 11 . 1 1 29 29 ALA H H 29 8.570 8.570 8.010 0.560 19436 3292 1 11 . 1 1 30 30 ALA N N 30 128.202 128.202 128.350 -0.148 19436 3293 1 11 . 1 1 30 30 ALA HA H 30 4.303 4.303 4.647 -0.344 19436 3294 1 11 . 1 1 30 30 ALA C C 30 176.096 176.096 175.860 0.236 19436 3295 1 11 . 1 1 30 30 ALA CA C 30 51.956 51.956 51.801 0.155 19436 3296 1 11 . 1 1 30 30 ALA CB C 30 18.945 18.945 20.002 -1.057 19436 3297 1 11 . 1 1 30 30 ALA H H 30 8.665 8.665 8.171 0.494 19436 3298 1 11 . 1 1 31 31 LEU N N 31 120.119 120.119 126.537 -6.418 19436 3299 1 11 . 1 1 31 31 LEU HA H 31 4.897 4.897 4.564 0.333 19436 3300 1 11 . 1 1 31 31 LEU C C 31 178.865 178.865 176.022 2.843 19436 3301 1 11 . 1 1 31 31 LEU CA C 31 52.051 52.051 54.583 -2.532 19436 3302 1 11 . 1 1 31 31 LEU CB C 31 44.147 44.147 42.521 1.626 19436 3303 1 11 . 1 1 31 31 LEU H H 31 8.034 8.034 8.622 -0.588 19436 3304 1 11 . 1 1 32 32 HIS N N 32 122.302 122.302 120.104 2.198 19436 3305 1 11 . 1 1 32 32 HIS HA H 32 4.186 4.186 4.318 -0.132 19436 3306 1 11 . 1 1 32 32 HIS C C 32 177.524 177.524 173.457 4.067 19436 3307 1 11 . 1 1 32 32 HIS H H 32 8.573 8.573 7.661 0.912 19436 3308 1 11 . 1 1 33 33 ALA HA H 33 4.411 4.411 4.753 -0.342 19436 3309 1 11 . 1 1 33 33 ALA CA C 33 53.433 53.433 50.553 2.880 19436 3310 1 11 . 1 1 33 33 ALA CB C 33 20.342 20.342 19.078 1.264 19436 3311 1 11 . 1 1 34 34 GLU HA H 34 4.684 4.684 4.746 -0.062 19436 3312 1 11 . 1 1 34 34 GLU CA C 34 54.841 54.841 56.709 -1.868 19436 3313 1 11 . 1 1 34 34 GLU CB C 34 33.102 33.102 30.726 2.376 19436 3314 1 11 . 1 1 35 35 GLY N N 35 108.193 108.193 109.409 -1.216 19436 3315 1 11 . 1 1 35 35 GLY H H 35 8.661 8.661 8.143 0.518 19436 3316 1 11 . 1 1 36 36 PRO HA H 36 4.278 4.278 4.564 -0.286 19436 3317 1 11 . 1 1 36 36 PRO C C 36 177.885 177.885 175.873 2.012 19436 3318 1 11 . 1 1 36 36 PRO CA C 36 64.598 64.598 62.972 1.626 19436 3319 1 11 . 1 1 36 36 PRO CB C 36 31.945 31.945 32.129 -0.184 19436 3320 1 11 . 1 1 37 37 LEU N N 37 117.378 117.378 122.673 -5.295 19436 3321 1 11 . 1 1 37 37 LEU HA H 37 4.256 4.256 4.704 -0.448 19436 3322 1 11 . 1 1 37 37 LEU C C 37 174.928 174.928 176.523 -1.595 19436 3323 1 11 . 1 1 37 37 LEU CA C 37 52.682 52.682 54.806 -2.123 19436 3324 1 11 . 1 1 37 37 LEU CB C 37 40.999 40.999 43.608 -2.609 19436 3325 1 11 . 1 1 37 37 LEU H H 37 8.557 8.557 8.371 0.186 19436 3326 1 11 . 1 1 38 38 ALA N N 38 120.501 120.501 123.787 -3.286 19436 3327 1 11 . 1 1 38 38 ALA HA H 38 3.476 3.476 4.724 -1.248 19436 3328 1 11 . 1 1 38 38 ALA C C 38 178.760 178.760 176.871 1.889 19436 3329 1 11 . 1 1 38 38 ALA CA C 38 53.756 53.756 51.621 2.135 19436 3330 1 11 . 1 1 38 38 ALA CB C 38 17.949 17.949 20.326 -2.377 19436 3331 1 11 . 1 1 38 38 ALA H H 38 7.202 7.202 8.198 -0.996 19436 3332 1 11 . 1 1 39 39 GLY N N 39 108.963 108.963 109.000 -0.037 19436 3333 1 11 . 1 1 39 39 GLY C C 39 173.272 173.272 173.546 -0.274 19436 3334 1 11 . 1 1 39 39 GLY CA C 39 45.183 45.183 45.377 -0.194 19436 3335 1 11 . 1 1 39 39 GLY H H 39 8.942 8.942 8.533 0.409 19436 3336 1 11 . 1 1 40 40 LEU N N 40 120.080 120.080 122.272 -2.192 19436 3337 1 11 . 1 1 40 40 LEU HA H 40 4.830 4.830 4.597 0.233 19436 3338 1 11 . 1 1 40 40 LEU C C 40 174.422 174.422 174.748 -0.326 19436 3339 1 11 . 1 1 40 40 LEU CB C 40 41.282 41.282 43.411 -2.129 19436 3340 1 11 . 1 1 40 40 LEU H H 40 8.216 8.216 7.841 0.375 19436 3341 1 11 . 1 1 41 41 PRO HA H 41 4.803 4.803 4.519 0.284 19436 3342 1 11 . 1 1 41 41 PRO CA C 41 61.528 61.528 63.042 -1.514 19436 3343 1 11 . 1 1 41 41 PRO CB C 41 31.384 31.384 32.950 -1.567 19436 3344 1 11 . 1 1 42 42 VAL N N 42 121.846 121.846 120.094 1.752 19436 3345 1 11 . 1 1 42 42 VAL HA H 42 3.510 3.510 3.880 -0.370 19436 3346 1 11 . 1 1 42 42 VAL CA C 42 65.888 65.888 62.584 3.304 19436 3347 1 11 . 1 1 42 42 VAL CB C 42 31.208 31.208 31.789 -0.581 19436 3348 1 11 . 1 1 42 42 VAL H H 42 7.784 7.784 8.299 -0.515 19436 3349 1 11 . 1 1 43 43 THR N N 43 109.158 109.158 114.343 -5.185 19436 3350 1 11 . 1 1 43 43 THR HA H 43 4.996 4.996 4.177 0.819 19436 3351 1 11 . 1 1 43 43 THR CA C 43 59.964 59.964 62.833 -2.869 19436 3352 1 11 . 1 1 43 43 THR CB C 43 12.133 12.133 68.199 -56.066 19436 3353 1 11 . 1 1 43 43 THR H H 43 8.911 8.911 8.141 0.770 19436 3354 1 11 . 1 1 44 44 ARG N N 44 120.175 120.175 119.655 0.520 19436 3355 1 11 . 1 1 44 44 ARG HA H 44 3.936 3.936 3.858 0.078 19436 3356 1 11 . 1 1 44 44 ARG CA C 44 60.596 60.596 56.913 3.683 19436 3357 1 11 . 1 1 44 44 ARG CB C 44 29.617 29.617 28.190 1.427 19436 3358 1 11 . 1 1 44 44 ARG H H 44 9.305 9.305 8.082 1.223 19436 3359 1 11 . 1 1 45 45 SER N N 45 114.367 114.367 115.405 -1.038 19436 3360 1 11 . 1 1 45 45 SER HA H 45 4.118 4.118 4.254 -0.136 19436 3361 1 11 . 1 1 45 45 SER CA C 45 62.355 62.355 58.551 3.804 19436 3362 1 11 . 1 1 45 45 SER CB C 45 62.355 62.355 62.147 0.208 19436 3363 1 11 . 1 1 45 45 SER H H 45 8.192 8.192 7.575 0.617 19436 3364 1 11 . 1 1 46 46 ASP N N 46 120.511 120.511 126.740 -6.229 19436 3365 1 11 . 1 1 46 46 ASP HA H 46 4.396 4.396 4.780 -0.384 19436 3366 1 11 . 1 1 46 46 ASP C C 46 177.220 177.220 174.004 3.216 19436 3367 1 11 . 1 1 46 46 ASP CA C 46 58.113 58.113 53.228 4.885 19436 3368 1 11 . 1 1 46 46 ASP CB C 46 43.287 43.287 42.762 0.525 19436 3369 1 11 . 1 1 46 46 ASP H H 46 7.354 7.354 8.427 -1.073 19436 3370 1 11 . 1 1 47 47 ALA N N 47 120.606 120.606 122.632 -2.026 19436 3371 1 11 . 1 1 47 47 ALA HA H 47 3.736 3.736 4.781 -1.045 19436 3372 1 11 . 1 1 47 47 ALA C C 47 178.603 178.603 178.178 0.425 19436 3373 1 11 . 1 1 47 47 ALA CA C 47 54.879 54.879 51.207 3.672 19436 3374 1 11 . 1 1 47 47 ALA CB C 47 19.739 19.739 22.058 -2.320 19436 3375 1 11 . 1 1 47 47 ALA H H 47 7.838 7.838 8.417 -0.579 19436 3376 1 11 . 1 1 48 48 ARG N N 48 116.233 116.233 121.272 -5.039 19436 3377 1 11 . 1 1 48 48 ARG HA H 48 3.796 3.796 4.371 -0.575 19436 3378 1 11 . 1 1 48 48 ARG C C 48 177.903 177.903 175.708 2.195 19436 3379 1 11 . 1 1 48 48 ARG CA C 48 61.517 61.517 58.242 3.275 19436 3380 1 11 . 1 1 48 48 ARG CB C 48 30.351 30.351 30.492 -0.141 19436 3381 1 11 . 1 1 48 48 ARG H H 48 8.060 8.060 8.909 -0.849 19436 3382 1 11 . 1 1 49 49 VAL N N 49 119.026 119.026 117.056 1.970 19436 3383 1 11 . 1 1 49 49 VAL HA H 49 3.636 3.636 4.500 -0.864 19436 3384 1 11 . 1 1 49 49 VAL C C 49 177.817 177.817 173.747 4.070 19436 3385 1 11 . 1 1 49 49 VAL CA C 49 67.018 67.018 59.589 7.429 19436 3386 1 11 . 1 1 49 49 VAL CB C 49 31.821 31.821 32.569 -0.748 19436 3387 1 11 . 1 1 49 49 VAL H H 49 7.413 7.413 7.581 -0.168 19436 3388 1 11 . 1 1 50 50 LEU HA H 50 4.113 4.113 4.582 -0.469 19436 3389 1 11 . 1 1 50 50 LEU C C 50 180.992 180.992 174.835 6.157 19436 3390 1 11 . 1 1 50 50 LEU CA C 50 58.382 58.382 54.003 4.379 19436 3391 1 11 . 1 1 50 50 LEU CB C 50 41.668 41.668 41.508 0.160 19436 3392 1 11 . 1 1 51 51 ILE HA H 51 3.698 3.698 4.244 -0.546 19436 3393 1 11 . 1 1 51 51 ILE C C 51 178.708 178.708 175.759 2.949 19436 3394 1 11 . 1 1 51 51 ILE CA C 51 65.868 65.868 61.281 4.587 19436 3395 1 11 . 1 1 51 51 ILE CB C 51 38.755 38.755 38.846 -0.091 19436 3396 1 11 . 1 1 52 52 PHE N N 52 123.370 123.370 122.783 0.587 19436 3397 1 11 . 1 1 52 52 PHE HA H 52 4.174 4.174 4.366 -0.192 19436 3398 1 11 . 1 1 52 52 PHE C C 52 176.998 176.998 174.839 2.159 19436 3399 1 11 . 1 1 52 52 PHE CA C 52 62.566 62.566 58.325 4.241 19436 3400 1 11 . 1 1 52 52 PHE CB C 52 39.295 39.295 38.923 0.372 19436 3401 1 11 . 1 1 52 52 PHE H H 52 8.748 8.748 8.465 0.283 19436 3402 1 11 . 1 1 53 53 ASN N N 53 117.944 117.944 118.695 -0.751 19436 3403 1 11 . 1 1 53 53 ASN HA H 53 4.478 4.478 4.910 -0.432 19436 3404 1 11 . 1 1 53 53 ASN C C 53 178.706 178.706 174.533 4.173 19436 3405 1 11 . 1 1 53 53 ASN CA C 53 56.027 56.027 53.008 3.019 19436 3406 1 11 . 1 1 53 53 ASN CB C 53 37.883 37.883 40.474 -2.591 19436 3407 1 11 . 1 1 53 53 ASN H H 53 8.990 8.990 8.168 0.822 19436 3408 1 11 . 1 1 54 54 GLU N N 54 121.168 121.168 122.109 -0.941 19436 3409 1 11 . 1 1 54 54 GLU HA H 54 4.123 4.123 4.436 -0.313 19436 3410 1 11 . 1 1 54 54 GLU C C 54 177.753 177.753 175.650 2.103 19436 3411 1 11 . 1 1 54 54 GLU CA C 54 59.415 59.415 56.381 3.034 19436 3412 1 11 . 1 1 54 54 GLU CB C 54 30.146 30.146 30.554 -0.408 19436 3413 1 11 . 1 1 54 54 GLU H H 54 8.177 8.177 8.871 -0.694 19436 3414 1 11 . 1 1 55 55 TRP N N 55 122.549 122.549 122.409 0.140 19436 3415 1 11 . 1 1 55 55 TRP HA H 55 4.018 4.018 4.979 -0.961 19436 3416 1 11 . 1 1 55 55 TRP C C 55 176.647 176.647 175.188 1.459 19436 3417 1 11 . 1 1 55 55 TRP CA C 55 61.743 61.743 57.695 4.048 19436 3418 1 11 . 1 1 55 55 TRP CB C 55 27.960 27.960 28.934 -0.974 19436 3419 1 11 . 1 1 55 55 TRP H H 55 8.160 8.160 7.850 0.310 19436 3420 1 11 . 1 1 56 56 GLU N N 56 117.397 117.397 121.665 -4.268 19436 3421 1 11 . 1 1 56 56 GLU HA H 56 2.962 2.962 4.498 -1.536 19436 3422 1 11 . 1 1 56 56 GLU C C 56 178.417 178.417 174.044 4.373 19436 3423 1 11 . 1 1 56 56 GLU CA C 56 59.739 59.739 54.706 5.033 19436 3424 1 11 . 1 1 56 56 GLU CB C 56 29.601 29.601 30.397 -0.796 19436 3425 1 11 . 1 1 56 56 GLU H H 56 8.558 8.558 8.547 0.011 19436 3426 1 11 . 1 1 57 57 GLU HA H 57 4.049 4.049 4.476 -0.427 19436 3427 1 11 . 1 1 57 57 GLU C C 57 179.462 179.462 177.425 2.037 19436 3428 1 11 . 1 1 57 57 GLU CA C 57 58.264 58.264 56.578 1.686 19436 3429 1 11 . 1 1 57 57 GLU CB C 57 29.826 29.826 30.874 -1.048 19436 3430 1 11 . 1 1 58 58 ARG N N 58 120.321 120.321 122.962 -2.641 19436 3431 1 11 . 1 1 58 58 ARG HA H 58 3.922 3.922 3.958 -0.036 19436 3432 1 11 . 1 1 58 58 ARG C C 58 178.832 178.832 175.353 3.479 19436 3433 1 11 . 1 1 58 58 ARG CA C 58 58.846 58.846 56.208 2.638 19436 3434 1 11 . 1 1 58 58 ARG H H 58 8.420 8.420 8.673 -0.253 19436 3435 1 11 . 1 1 59 59 LYS N N 59 118.447 118.447 121.082 -2.635 19436 3436 1 11 . 1 1 59 59 LYS HA H 59 3.681 3.681 4.019 -0.338 19436 3437 1 11 . 1 1 59 59 LYS C C 59 176.846 176.846 175.552 1.294 19436 3438 1 11 . 1 1 59 59 LYS CA C 59 57.540 57.540 56.931 0.610 19436 3439 1 11 . 1 1 59 59 LYS CB C 59 30.572 30.572 31.707 -1.135 19436 3440 1 11 . 1 1 59 59 LYS H H 59 8.436 8.436 8.022 0.414 19436 3441 1 11 . 1 1 60 60 LYS N N 60 117.663 117.663 120.853 -3.190 19436 3442 1 11 . 1 1 60 60 LYS HA H 60 3.817 3.817 4.539 -0.722 19436 3443 1 11 . 1 1 60 60 LYS C C 60 177.762 177.762 176.218 1.544 19436 3444 1 11 . 1 1 60 60 LYS CA C 60 59.207 59.207 55.900 3.307 19436 3445 1 11 . 1 1 60 60 LYS CB C 60 32.269 32.269 32.975 -0.706 19436 3446 1 11 . 1 1 60 60 LYS H H 60 6.904 6.904 8.268 -1.364 19436 3447 1 11 . 1 1 61 61 SER N N 61 110.383 110.383 117.017 -6.634 19436 3448 1 11 . 1 1 61 61 SER HA H 61 4.527 4.527 4.875 -0.348 19436 3449 1 11 . 1 1 61 61 SER C C 61 174.006 174.006 172.801 1.205 19436 3450 1 11 . 1 1 61 61 SER CA C 61 58.671 58.671 57.163 1.508 19436 3451 1 11 . 1 1 61 61 SER CB C 61 64.444 64.444 66.028 -1.584 19436 3452 1 11 . 1 1 61 61 SER H H 61 7.381 7.381 8.180 -0.799 19436 3453 1 11 . 1 1 62 62 GLU N N 62 121.734 121.734 121.532 0.202 19436 3454 1 11 . 1 1 62 62 GLU HA H 62 3.681 3.681 4.657 -0.976 19436 3455 1 11 . 1 1 62 62 GLU C C 62 172.751 172.751 174.645 -1.894 19436 3456 1 11 . 1 1 62 62 GLU CA C 62 52.861 52.861 55.716 -2.855 19436 3457 1 11 . 1 1 62 62 GLU CB C 62 30.206 30.206 30.699 -0.493 19436 3458 1 11 . 1 1 62 62 GLU H H 62 7.625 7.625 9.477 -1.852 19436 3459 1 11 . 1 1 63 63 PRO HA H 63 4.267 4.267 5.063 -0.796 19436 3460 1 11 . 1 1 63 63 PRO C C 63 176.541 176.541 176.910 -0.369 19436 3461 1 11 . 1 1 63 63 PRO CA C 63 64.621 64.621 61.665 2.956 19436 3462 1 11 . 1 1 63 63 PRO CB C 63 31.452 31.452 35.842 -4.390 19436 3463 1 11 . 1 1 64 64 TRP N N 64 115.298 115.298 121.029 -5.731 19436 3464 1 11 . 1 1 64 64 TRP HA H 64 4.645 4.645 4.804 -0.159 19436 3465 1 11 . 1 1 64 64 TRP C C 64 176.530 176.530 176.345 0.185 19436 3466 1 11 . 1 1 64 64 TRP CA C 64 56.604 56.604 57.670 -1.066 19436 3467 1 11 . 1 1 64 64 TRP CB C 64 28.026 28.026 31.524 -3.498 19436 3468 1 11 . 1 1 64 64 TRP H H 64 6.837 6.837 8.512 -1.675 19436 3469 1 11 . 1 1 65 65 LEU N N 65 125.040 125.040 125.541 -0.501 19436 3470 1 11 . 1 1 65 65 LEU HA H 65 4.149 4.149 4.496 -0.347 19436 3471 1 11 . 1 1 65 65 LEU C C 65 177.528 177.528 175.927 1.601 19436 3472 1 11 . 1 1 65 65 LEU CA C 65 56.277 56.277 55.660 0.617 19436 3473 1 11 . 1 1 65 65 LEU CB C 65 43.152 43.152 42.812 0.341 19436 3474 1 11 . 1 1 65 65 LEU H H 65 7.252 7.252 8.902 -1.650 19436 3475 1 11 . 1 1 66 66 ARG N N 66 128.225 128.225 117.295 10.930 19436 3476 1 11 . 1 1 66 66 ARG HA H 66 4.578 4.578 4.519 0.059 19436 3477 1 11 . 1 1 66 66 ARG C C 66 175.757 175.757 175.781 -0.024 19436 3478 1 11 . 1 1 66 66 ARG CA C 66 55.105 55.105 54.725 0.380 19436 3479 1 11 . 1 1 66 66 ARG CB C 66 31.397 31.397 33.472 -2.075 19436 3480 1 11 . 1 1 66 66 ARG H H 66 8.892 8.892 7.943 0.949 19436 3481 1 11 . 1 1 67 67 LEU N N 67 127.896 127.896 121.800 6.096 19436 3482 1 11 . 1 1 67 67 LEU HA H 67 3.560 3.560 4.089 -0.529 19436 3483 1 11 . 1 1 67 67 LEU C C 67 175.383 175.383 175.619 -0.236 19436 3484 1 11 . 1 1 67 67 LEU CA C 67 54.595 54.595 54.637 -0.042 19436 3485 1 11 . 1 1 67 67 LEU H H 67 8.328 8.328 8.349 -0.021 19436 3486 1 11 . 1 1 68 68 ASP HA H 68 4.719 4.719 4.594 0.125 19436 3487 1 11 . 1 1 68 68 ASP C C 68 174.373 174.373 175.871 -1.498 19436 3488 1 11 . 1 1 68 68 ASP CA C 68 52.936 52.936 55.667 -2.731 19436 3489 1 11 . 1 1 68 68 ASP CB C 68 41.363 41.363 40.814 0.549 19436 3490 1 11 . 1 1 69 69 MET N N 69 122.596 122.596 116.999 5.597 19436 3491 1 11 . 1 1 69 69 MET HA H 69 4.539 4.539 4.643 -0.104 19436 3492 1 11 . 1 1 69 69 MET C C 69 174.798 174.798 175.413 -0.615 19436 3493 1 11 . 1 1 69 69 MET CA C 69 53.657 53.657 53.993 -0.336 19436 3494 1 11 . 1 1 69 69 MET CB C 69 33.356 33.356 32.018 1.338 19436 3495 1 11 . 1 1 69 69 MET H H 69 8.777 8.777 7.973 0.804 19436 3496 1 11 . 1 1 70 70 SER N N 70 116.028 116.028 115.115 0.913 19436 3497 1 11 . 1 1 70 70 SER HA H 70 4.183 4.183 4.464 -0.281 19436 3498 1 11 . 1 1 70 70 SER C C 70 173.995 173.995 175.490 -1.495 19436 3499 1 11 . 1 1 70 70 SER CA C 70 58.683 58.683 59.345 -0.662 19436 3500 1 11 . 1 1 70 70 SER CB C 70 64.826 64.826 62.633 2.193 19436 3501 1 11 . 1 1 70 70 SER H H 70 8.179 8.179 7.573 0.606 19436 3502 1 11 . 1 1 71 71 ASP N N 71 121.658 121.658 125.051 -3.393 19436 3503 1 11 . 1 1 71 71 ASP HA H 71 3.788 3.788 4.385 -0.597 19436 3504 1 11 . 1 1 71 71 ASP C C 71 176.757 176.757 175.895 0.862 19436 3505 1 11 . 1 1 71 71 ASP CA C 71 57.426 57.426 54.016 3.410 19436 3506 1 11 . 1 1 71 71 ASP H H 71 8.789 8.789 8.976 -0.187 19436 3507 1 11 . 1 1 72 72 LYS N N 72 116.258 116.258 121.175 -4.917 19436 3508 1 11 . 1 1 72 72 LYS HA H 72 3.751 3.751 4.885 -1.134 19436 3509 1 11 . 1 1 72 72 LYS C C 72 178.882 178.882 174.636 4.246 19436 3510 1 11 . 1 1 72 72 LYS CA C 72 59.891 59.891 53.182 6.709 19436 3511 1 11 . 1 1 72 72 LYS CB C 72 32.195 32.195 33.102 -0.907 19436 3512 1 11 . 1 1 72 72 LYS H H 72 7.876 7.876 7.902 -0.026 19436 3513 1 11 . 1 1 73 73 ALA HA H 73 3.939 3.939 4.630 -0.691 19436 3514 1 11 . 1 1 73 73 ALA C C 73 181.112 181.112 177.649 3.463 19436 3515 1 11 . 1 1 73 73 ALA CA C 73 55.118 55.118 51.537 3.581 19436 3516 1 11 . 1 1 73 73 ALA CB C 73 17.847 17.847 19.646 -1.799 19436 3517 1 11 . 1 1 74 74 ILE N N 74 119.583 119.583 116.298 3.285 19436 3518 1 11 . 1 1 74 74 ILE HA H 74 3.477 3.477 4.496 -1.019 19436 3519 1 11 . 1 1 74 74 ILE C C 74 177.697 177.697 176.414 1.283 19436 3520 1 11 . 1 1 74 74 ILE CA C 74 66.112 66.112 61.462 4.650 19436 3521 1 11 . 1 1 74 74 ILE CB C 74 37.678 37.678 39.253 -1.575 19436 3522 1 11 . 1 1 74 74 ILE H H 74 8.119 8.119 8.394 -0.275 19436 3523 1 11 . 1 1 75 75 PHE N N 75 117.768 117.768 114.631 3.137 19436 3524 1 11 . 1 1 75 75 PHE HA H 75 4.431 4.431 4.852 -0.421 19436 3525 1 11 . 1 1 75 75 PHE C C 75 177.987 177.987 176.273 1.714 19436 3526 1 11 . 1 1 75 75 PHE CA C 75 56.968 56.968 55.116 1.852 19436 3527 1 11 . 1 1 75 75 PHE CB C 75 37.281 37.281 42.215 -4.934 19436 3528 1 11 . 1 1 75 75 PHE H H 75 8.553 8.553 8.110 0.443 19436 3529 1 11 . 1 1 76 76 ARG N N 76 117.370 117.370 121.774 -4.404 19436 3530 1 11 . 1 1 76 76 ARG HA H 76 4.059 4.059 4.054 0.005 19436 3531 1 11 . 1 1 76 76 ARG C C 76 177.520 177.520 177.860 -0.340 19436 3532 1 11 . 1 1 76 76 ARG CA C 76 58.690 58.690 59.860 -1.170 19436 3533 1 11 . 1 1 76 76 ARG CB C 76 30.417 30.417 29.503 0.914 19436 3534 1 11 . 1 1 76 76 ARG H H 76 7.532 7.532 8.743 -1.211 19436 3535 1 11 . 1 1 77 77 ARG N N 77 117.482 117.482 120.890 -3.408 19436 3536 1 11 . 1 1 77 77 ARG HA H 77 3.967 3.967 4.053 -0.086 19436 3537 1 11 . 1 1 77 77 ARG C C 77 176.168 176.168 178.291 -2.123 19436 3538 1 11 . 1 1 77 77 ARG CA C 77 57.472 57.472 59.258 -1.786 19436 3539 1 11 . 1 1 77 77 ARG CB C 77 31.746 31.746 29.739 2.007 19436 3540 1 11 . 1 1 77 77 ARG H H 77 7.222 7.222 8.293 -1.071 19436 3541 1 11 . 1 1 78 78 TYR N N 78 116.126 116.126 122.568 -6.442 19436 3542 1 11 . 1 1 78 78 TYR HA H 78 5.333 5.333 4.246 1.087 19436 3543 1 11 . 1 1 78 78 TYR C C 78 172.361 172.361 178.012 -5.651 19436 3544 1 11 . 1 1 78 78 TYR CB C 78 38.546 38.546 37.954 0.592 19436 3545 1 11 . 1 1 78 78 TYR H H 78 8.823 8.823 7.836 0.987 19436 3546 1 11 . 1 1 79 79 PRO HA H 79 4.441 4.441 3.922 0.519 19436 3547 1 11 . 1 1 79 79 PRO C C 79 178.491 178.491 179.417 -0.926 19436 3548 1 11 . 1 1 79 79 PRO CA C 79 64.854 64.854 66.188 -1.334 19436 3549 1 11 . 1 1 79 79 PRO CB C 79 31.694 31.694 30.911 0.783 19436 3550 1 11 . 1 1 80 80 HIS N N 80 115.604 115.604 117.787 -2.183 19436 3551 1 11 . 1 1 80 80 HIS HA H 80 4.549 4.549 4.315 0.234 19436 3552 1 11 . 1 1 80 80 HIS C C 80 176.202 176.202 177.693 -1.491 19436 3553 1 11 . 1 1 80 80 HIS CA C 80 58.597 58.597 58.846 -0.249 19436 3554 1 11 . 1 1 80 80 HIS CB C 80 29.685 29.685 29.451 0.234 19436 3555 1 11 . 1 1 80 80 HIS H H 80 8.274 8.274 8.061 0.213 19436 3556 1 11 . 1 1 81 81 LEU N N 81 120.646 120.646 121.541 -0.895 19436 3557 1 11 . 1 1 81 81 LEU HA H 81 4.228 4.228 4.030 0.198 19436 3558 1 11 . 1 1 81 81 LEU C C 81 175.906 175.906 179.075 -3.169 19436 3559 1 11 . 1 1 81 81 LEU CA C 81 54.105 54.105 59.746 -5.641 19436 3560 1 11 . 1 1 81 81 LEU CB C 81 41.759 41.759 41.794 -0.035 19436 3561 1 11 . 1 1 81 81 LEU H H 81 7.609 7.609 8.292 -0.683 19436 3562 1 11 . 1 1 82 82 ARG N N 82 125.478 125.478 119.418 6.060 19436 3563 1 11 . 1 1 82 82 ARG C C 82 180.927 180.927 178.853 2.074 19436 3564 1 11 . 1 1 82 82 ARG H H 82 7.079 7.079 8.430 -1.351 19436 3565 1 12 . 1 1 2 2 PRO HA H 2 4.442 4.442 5.227 -0.785 19436 3566 1 12 . 1 1 2 2 PRO CA C 2 62.895 62.895 62.631 0.264 19436 3567 1 12 . 1 1 2 2 PRO CB C 2 31.958 31.958 34.030 -2.072 19436 3568 1 12 . 1 1 3 3 SER N N 3 117.584 117.584 117.071 0.513 19436 3569 1 12 . 1 1 3 3 SER H H 3 8.434 8.434 8.539 -0.105 19436 3570 1 12 . 1 1 4 4 PRO HA H 4 4.442 4.442 4.715 -0.273 19436 3571 1 12 . 1 1 4 4 PRO C C 4 176.912 176.912 175.561 1.351 19436 3572 1 12 . 1 1 4 4 PRO CA C 4 63.325 63.325 62.534 0.791 19436 3573 1 12 . 1 1 4 4 PRO CB C 4 32.011 32.011 33.336 -1.325 19436 3574 1 12 . 1 1 5 5 LEU N N 5 121.539 121.539 126.724 -5.185 19436 3575 1 12 . 1 1 5 5 LEU HA H 5 4.344 4.344 4.520 -0.176 19436 3576 1 12 . 1 1 5 5 LEU C C 5 177.549 177.549 174.677 2.872 19436 3577 1 12 . 1 1 5 5 LEU CA C 5 55.395 55.395 54.874 0.521 19436 3578 1 12 . 1 1 5 5 LEU CB C 5 42.317 42.317 43.621 -1.304 19436 3579 1 12 . 1 1 5 5 LEU H H 5 8.281 8.281 8.403 -0.122 19436 3580 1 12 . 1 1 6 6 SER N N 6 116.435 116.435 120.634 -4.199 19436 3581 1 12 . 1 1 6 6 SER HA H 6 4.464 4.464 4.745 -0.281 19436 3582 1 12 . 1 1 6 6 SER C C 6 174.630 174.630 173.259 1.371 19436 3583 1 12 . 1 1 6 6 SER CA C 6 58.262 58.262 58.292 -0.030 19436 3584 1 12 . 1 1 6 6 SER CB C 6 63.883 63.883 63.934 -0.052 19436 3585 1 12 . 1 1 6 6 SER H H 6 8.250 8.250 8.305 -0.055 19436 3586 1 12 . 1 1 7 7 SER N N 7 117.774 117.774 117.977 -0.203 19436 3587 1 12 . 1 1 7 7 SER HA H 7 4.481 4.481 4.595 -0.114 19436 3588 1 12 . 1 1 7 7 SER C C 7 174.630 174.630 172.895 1.735 19436 3589 1 12 . 1 1 7 7 SER CA C 7 58.511 58.511 58.143 0.368 19436 3590 1 12 . 1 1 7 7 SER CB C 7 63.827 63.827 64.834 -1.007 19436 3591 1 12 . 1 1 7 7 SER H H 7 8.392 8.392 8.559 -0.167 19436 3592 1 12 . 1 1 8 8 GLU N N 8 122.440 122.440 124.537 -2.097 19436 3593 1 12 . 1 1 8 8 GLU HA H 8 4.332 4.332 4.395 -0.063 19436 3594 1 12 . 1 1 8 8 GLU C C 8 176.591 176.591 174.084 2.507 19436 3595 1 12 . 1 1 8 8 GLU CA C 8 56.846 56.846 56.159 0.687 19436 3596 1 12 . 1 1 8 8 GLU CB C 8 30.125 30.125 30.964 -0.839 19436 3597 1 12 . 1 1 8 8 GLU H H 8 8.458 8.458 8.392 0.066 19436 3598 1 12 . 1 1 9 9 SER N N 9 116.179 116.179 117.545 -1.366 19436 3599 1 12 . 1 1 9 9 SER HA H 9 4.449 4.449 4.407 0.042 19436 3600 1 12 . 1 1 9 9 SER C C 9 174.763 174.763 172.054 2.709 19436 3601 1 12 . 1 1 9 9 SER CA C 9 58.455 58.455 57.305 1.150 19436 3602 1 12 . 1 1 9 9 SER CB C 9 64.002 64.002 65.292 -1.290 19436 3603 1 12 . 1 1 9 9 SER H H 9 8.280 8.280 8.055 0.225 19436 3604 1 12 . 1 1 10 10 GLU N N 10 122.989 122.989 123.162 -0.173 19436 3605 1 12 . 1 1 10 10 GLU HA H 10 4.212 4.212 4.230 -0.018 19436 3606 1 12 . 1 1 10 10 GLU C C 10 176.344 176.344 176.324 0.020 19436 3607 1 12 . 1 1 10 10 GLU CA C 10 56.967 56.967 56.524 0.443 19436 3608 1 12 . 1 1 10 10 GLU CB C 10 30.176 30.176 31.432 -1.256 19436 3609 1 12 . 1 1 10 10 GLU H H 10 8.488 8.488 8.700 -0.212 19436 3610 1 12 . 1 1 29 29 ALA N N 29 126.204 126.204 125.231 0.973 19436 3611 1 12 . 1 1 29 29 ALA HA H 29 4.487 4.487 4.722 -0.235 19436 3612 1 12 . 1 1 29 29 ALA C C 29 176.100 176.100 175.572 0.528 19436 3613 1 12 . 1 1 29 29 ALA CA C 29 51.192 51.192 51.924 -0.732 19436 3614 1 12 . 1 1 29 29 ALA CB C 29 20.176 20.176 20.854 -0.678 19436 3615 1 12 . 1 1 29 29 ALA H H 29 8.570 8.570 8.206 0.364 19436 3616 1 12 . 1 1 30 30 ALA N N 30 128.202 128.202 129.491 -1.289 19436 3617 1 12 . 1 1 30 30 ALA HA H 30 4.303 4.303 4.986 -0.683 19436 3618 1 12 . 1 1 30 30 ALA C C 30 176.096 176.096 175.723 0.373 19436 3619 1 12 . 1 1 30 30 ALA CA C 30 51.956 51.956 51.632 0.324 19436 3620 1 12 . 1 1 30 30 ALA CB C 30 18.945 18.945 20.642 -1.697 19436 3621 1 12 . 1 1 30 30 ALA H H 30 8.665 8.665 8.436 0.229 19436 3622 1 12 . 1 1 31 31 LEU N N 31 120.119 120.119 122.026 -1.907 19436 3623 1 12 . 1 1 31 31 LEU HA H 31 4.897 4.897 4.514 0.383 19436 3624 1 12 . 1 1 31 31 LEU C C 31 178.865 178.865 175.864 3.001 19436 3625 1 12 . 1 1 31 31 LEU CA C 31 52.051 52.051 54.040 -1.989 19436 3626 1 12 . 1 1 31 31 LEU CB C 31 44.147 44.147 42.589 1.558 19436 3627 1 12 . 1 1 31 31 LEU H H 31 8.034 8.034 8.059 -0.025 19436 3628 1 12 . 1 1 32 32 HIS N N 32 122.302 122.302 119.648 2.654 19436 3629 1 12 . 1 1 32 32 HIS HA H 32 4.186 4.186 4.525 -0.339 19436 3630 1 12 . 1 1 32 32 HIS C C 32 177.524 177.524 173.736 3.788 19436 3631 1 12 . 1 1 32 32 HIS H H 32 8.573 8.573 8.349 0.224 19436 3632 1 12 . 1 1 33 33 ALA HA H 33 4.411 4.411 4.556 -0.145 19436 3633 1 12 . 1 1 33 33 ALA CA C 33 53.433 53.433 51.355 2.079 19436 3634 1 12 . 1 1 33 33 ALA CB C 33 20.342 20.342 19.257 1.085 19436 3635 1 12 . 1 1 34 34 GLU HA H 34 4.684 4.684 4.676 0.008 19436 3636 1 12 . 1 1 34 34 GLU CA C 34 54.841 54.841 56.480 -1.639 19436 3637 1 12 . 1 1 34 34 GLU CB C 34 33.102 33.102 30.689 2.413 19436 3638 1 12 . 1 1 35 35 GLY N N 35 108.193 108.193 108.535 -0.342 19436 3639 1 12 . 1 1 35 35 GLY H H 35 8.661 8.661 8.461 0.200 19436 3640 1 12 . 1 1 36 36 PRO HA H 36 4.278 4.278 4.523 -0.245 19436 3641 1 12 . 1 1 36 36 PRO C C 36 177.885 177.885 175.391 2.494 19436 3642 1 12 . 1 1 36 36 PRO CA C 36 64.598 64.598 63.028 1.570 19436 3643 1 12 . 1 1 36 36 PRO CB C 36 31.945 31.945 32.929 -0.984 19436 3644 1 12 . 1 1 37 37 LEU N N 37 117.378 117.378 122.794 -5.416 19436 3645 1 12 . 1 1 37 37 LEU HA H 37 4.256 4.256 4.676 -0.420 19436 3646 1 12 . 1 1 37 37 LEU C C 37 174.928 174.928 175.246 -0.318 19436 3647 1 12 . 1 1 37 37 LEU CA C 37 52.682 52.682 54.677 -1.995 19436 3648 1 12 . 1 1 37 37 LEU CB C 37 40.999 40.999 43.772 -2.773 19436 3649 1 12 . 1 1 37 37 LEU H H 37 8.557 8.557 8.615 -0.058 19436 3650 1 12 . 1 1 38 38 ALA N N 38 120.501 120.501 126.333 -5.832 19436 3651 1 12 . 1 1 38 38 ALA HA H 38 3.476 3.476 4.620 -1.144 19436 3652 1 12 . 1 1 38 38 ALA C C 38 178.760 178.760 176.436 2.324 19436 3653 1 12 . 1 1 38 38 ALA CA C 38 53.756 53.756 52.030 1.726 19436 3654 1 12 . 1 1 38 38 ALA CB C 38 17.949 17.949 19.814 -1.865 19436 3655 1 12 . 1 1 38 38 ALA H H 38 7.202 7.202 8.233 -1.031 19436 3656 1 12 . 1 1 39 39 GLY N N 39 108.963 108.963 111.307 -2.344 19436 3657 1 12 . 1 1 39 39 GLY C C 39 173.272 173.272 174.389 -1.117 19436 3658 1 12 . 1 1 39 39 GLY CA C 39 45.183 45.183 44.897 0.286 19436 3659 1 12 . 1 1 39 39 GLY H H 39 8.942 8.942 8.452 0.490 19436 3660 1 12 . 1 1 40 40 LEU N N 40 120.080 120.080 123.498 -3.418 19436 3661 1 12 . 1 1 40 40 LEU HA H 40 4.830 4.830 4.602 0.228 19436 3662 1 12 . 1 1 40 40 LEU C C 40 174.422 174.422 175.354 -0.932 19436 3663 1 12 . 1 1 40 40 LEU CB C 40 41.282 41.282 43.428 -2.147 19436 3664 1 12 . 1 1 40 40 LEU H H 40 8.216 8.216 7.888 0.328 19436 3665 1 12 . 1 1 41 41 PRO HA H 41 4.803 4.803 4.557 0.246 19436 3666 1 12 . 1 1 41 41 PRO CA C 41 61.528 61.528 62.911 -1.383 19436 3667 1 12 . 1 1 41 41 PRO CB C 41 31.384 31.384 32.684 -1.300 19436 3668 1 12 . 1 1 42 42 VAL N N 42 121.846 121.846 119.734 2.112 19436 3669 1 12 . 1 1 42 42 VAL HA H 42 3.510 3.510 3.799 -0.289 19436 3670 1 12 . 1 1 42 42 VAL CA C 42 65.888 65.888 63.830 2.058 19436 3671 1 12 . 1 1 42 42 VAL CB C 42 31.208 31.208 30.979 0.229 19436 3672 1 12 . 1 1 42 42 VAL H H 42 7.784 7.784 8.658 -0.874 19436 3673 1 12 . 1 1 43 43 THR N N 43 109.158 109.158 113.259 -4.101 19436 3674 1 12 . 1 1 43 43 THR HA H 43 4.996 4.996 4.165 0.831 19436 3675 1 12 . 1 1 43 43 THR CA C 43 59.964 59.964 64.164 -4.200 19436 3676 1 12 . 1 1 43 43 THR CB C 43 12.133 12.133 69.111 -56.978 19436 3677 1 12 . 1 1 43 43 THR H H 43 8.911 8.911 8.021 0.890 19436 3678 1 12 . 1 1 44 44 ARG N N 44 120.175 120.175 117.028 3.147 19436 3679 1 12 . 1 1 44 44 ARG HA H 44 3.936 3.936 4.480 -0.544 19436 3680 1 12 . 1 1 44 44 ARG CA C 44 60.596 60.596 55.296 5.300 19436 3681 1 12 . 1 1 44 44 ARG CB C 44 29.617 29.617 30.950 -1.333 19436 3682 1 12 . 1 1 44 44 ARG H H 44 9.305 9.305 8.329 0.976 19436 3683 1 12 . 1 1 45 45 SER N N 45 114.367 114.367 117.093 -2.726 19436 3684 1 12 . 1 1 45 45 SER HA H 45 4.118 4.118 4.502 -0.384 19436 3685 1 12 . 1 1 45 45 SER CA C 45 62.355 62.355 57.773 4.582 19436 3686 1 12 . 1 1 45 45 SER CB C 45 62.355 62.355 62.050 0.305 19436 3687 1 12 . 1 1 45 45 SER H H 45 8.192 8.192 7.543 0.649 19436 3688 1 12 . 1 1 46 46 ASP N N 46 120.511 120.511 126.588 -6.077 19436 3689 1 12 . 1 1 46 46 ASP HA H 46 4.396 4.396 4.783 -0.387 19436 3690 1 12 . 1 1 46 46 ASP C C 46 177.220 177.220 175.236 1.984 19436 3691 1 12 . 1 1 46 46 ASP CA C 46 58.113 58.113 53.502 4.611 19436 3692 1 12 . 1 1 46 46 ASP CB C 46 43.287 43.287 43.270 0.017 19436 3693 1 12 . 1 1 46 46 ASP H H 46 7.354 7.354 8.146 -0.792 19436 3694 1 12 . 1 1 47 47 ALA N N 47 120.606 120.606 123.794 -3.188 19436 3695 1 12 . 1 1 47 47 ALA HA H 47 3.736 3.736 4.793 -1.057 19436 3696 1 12 . 1 1 47 47 ALA C C 47 178.603 178.603 176.282 2.321 19436 3697 1 12 . 1 1 47 47 ALA CA C 47 54.879 54.879 51.541 3.338 19436 3698 1 12 . 1 1 47 47 ALA CB C 47 19.739 19.739 19.901 -0.162 19436 3699 1 12 . 1 1 47 47 ALA H H 47 7.838 7.838 8.181 -0.343 19436 3700 1 12 . 1 1 48 48 ARG N N 48 116.233 116.233 123.529 -7.296 19436 3701 1 12 . 1 1 48 48 ARG HA H 48 3.796 3.796 4.643 -0.847 19436 3702 1 12 . 1 1 48 48 ARG C C 48 177.903 177.903 175.407 2.496 19436 3703 1 12 . 1 1 48 48 ARG CA C 48 61.517 61.517 55.344 6.173 19436 3704 1 12 . 1 1 48 48 ARG CB C 48 30.351 30.351 32.162 -1.811 19436 3705 1 12 . 1 1 48 48 ARG H H 48 8.060 8.060 8.165 -0.105 19436 3706 1 12 . 1 1 49 49 VAL N N 49 119.026 119.026 123.294 -4.268 19436 3707 1 12 . 1 1 49 49 VAL HA H 49 3.636 3.636 4.419 -0.783 19436 3708 1 12 . 1 1 49 49 VAL C C 49 177.817 177.817 175.265 2.552 19436 3709 1 12 . 1 1 49 49 VAL CA C 49 67.018 67.018 60.709 6.309 19436 3710 1 12 . 1 1 49 49 VAL CB C 49 31.821 31.821 31.641 0.180 19436 3711 1 12 . 1 1 49 49 VAL H H 49 7.413 7.413 8.298 -0.885 19436 3712 1 12 . 1 1 50 50 LEU HA H 50 4.113 4.113 4.551 -0.438 19436 3713 1 12 . 1 1 50 50 LEU C C 50 180.992 180.992 174.900 6.092 19436 3714 1 12 . 1 1 50 50 LEU CA C 50 58.382 58.382 53.807 4.575 19436 3715 1 12 . 1 1 50 50 LEU CB C 50 41.668 41.668 41.456 0.212 19436 3716 1 12 . 1 1 51 51 ILE HA H 51 3.698 3.698 4.331 -0.633 19436 3717 1 12 . 1 1 51 51 ILE C C 51 178.708 178.708 174.543 4.165 19436 3718 1 12 . 1 1 51 51 ILE CA C 51 65.868 65.868 61.120 4.748 19436 3719 1 12 . 1 1 51 51 ILE CB C 51 38.755 38.755 38.907 -0.152 19436 3720 1 12 . 1 1 52 52 PHE N N 52 123.370 123.370 119.785 3.585 19436 3721 1 12 . 1 1 52 52 PHE HA H 52 4.174 4.174 4.754 -0.580 19436 3722 1 12 . 1 1 52 52 PHE C C 52 176.998 176.998 174.721 2.277 19436 3723 1 12 . 1 1 52 52 PHE CA C 52 62.566 62.566 57.141 5.425 19436 3724 1 12 . 1 1 52 52 PHE CB C 52 39.295 39.295 41.372 -2.077 19436 3725 1 12 . 1 1 52 52 PHE H H 52 8.748 8.748 8.274 0.474 19436 3726 1 12 . 1 1 53 53 ASN N N 53 117.944 117.944 119.745 -1.801 19436 3727 1 12 . 1 1 53 53 ASN HA H 53 4.478 4.478 4.747 -0.269 19436 3728 1 12 . 1 1 53 53 ASN C C 53 178.706 178.706 175.470 3.236 19436 3729 1 12 . 1 1 53 53 ASN CA C 53 56.027 56.027 53.623 2.404 19436 3730 1 12 . 1 1 53 53 ASN CB C 53 37.883 37.883 39.060 -1.177 19436 3731 1 12 . 1 1 53 53 ASN H H 53 8.990 8.990 8.639 0.351 19436 3732 1 12 . 1 1 54 54 GLU N N 54 121.168 121.168 123.027 -1.859 19436 3733 1 12 . 1 1 54 54 GLU HA H 54 4.123 4.123 4.448 -0.325 19436 3734 1 12 . 1 1 54 54 GLU C C 54 177.753 177.753 175.818 1.935 19436 3735 1 12 . 1 1 54 54 GLU CA C 54 59.415 59.415 56.302 3.113 19436 3736 1 12 . 1 1 54 54 GLU CB C 54 30.146 30.146 29.576 0.570 19436 3737 1 12 . 1 1 54 54 GLU H H 54 8.177 8.177 8.658 -0.481 19436 3738 1 12 . 1 1 55 55 TRP N N 55 122.549 122.549 121.575 0.974 19436 3739 1 12 . 1 1 55 55 TRP HA H 55 4.018 4.018 4.381 -0.363 19436 3740 1 12 . 1 1 55 55 TRP C C 55 176.647 176.647 175.830 0.817 19436 3741 1 12 . 1 1 55 55 TRP CA C 55 61.743 61.743 59.364 2.379 19436 3742 1 12 . 1 1 55 55 TRP CB C 55 27.960 27.960 27.542 0.418 19436 3743 1 12 . 1 1 55 55 TRP H H 55 8.160 8.160 8.442 -0.282 19436 3744 1 12 . 1 1 56 56 GLU N N 56 117.397 117.397 119.528 -2.131 19436 3745 1 12 . 1 1 56 56 GLU HA H 56 2.962 2.962 4.527 -1.565 19436 3746 1 12 . 1 1 56 56 GLU C C 56 178.417 178.417 174.644 3.773 19436 3747 1 12 . 1 1 56 56 GLU CA C 56 59.739 59.739 54.454 5.285 19436 3748 1 12 . 1 1 56 56 GLU CB C 56 29.601 29.601 30.370 -0.769 19436 3749 1 12 . 1 1 56 56 GLU H H 56 8.558 8.558 8.405 0.153 19436 3750 1 12 . 1 1 57 57 GLU HA H 57 4.049 4.049 4.555 -0.506 19436 3751 1 12 . 1 1 57 57 GLU C C 57 179.462 179.462 176.276 3.186 19436 3752 1 12 . 1 1 57 57 GLU CA C 57 58.264 58.264 56.026 2.239 19436 3753 1 12 . 1 1 57 57 GLU CB C 57 29.826 29.826 30.377 -0.551 19436 3754 1 12 . 1 1 58 58 ARG N N 58 120.321 120.321 119.451 0.870 19436 3755 1 12 . 1 1 58 58 ARG HA H 58 3.922 3.922 4.154 -0.232 19436 3756 1 12 . 1 1 58 58 ARG C C 58 178.832 178.832 174.904 3.928 19436 3757 1 12 . 1 1 58 58 ARG CA C 58 58.846 58.846 55.295 3.551 19436 3758 1 12 . 1 1 58 58 ARG H H 58 8.420 8.420 8.053 0.367 19436 3759 1 12 . 1 1 59 59 LYS N N 59 118.447 118.447 120.151 -1.704 19436 3760 1 12 . 1 1 59 59 LYS HA H 59 3.681 3.681 4.587 -0.906 19436 3761 1 12 . 1 1 59 59 LYS C C 59 176.846 176.846 175.880 0.966 19436 3762 1 12 . 1 1 59 59 LYS CA C 59 57.540 57.540 56.282 1.258 19436 3763 1 12 . 1 1 59 59 LYS CB C 59 30.572 30.572 33.214 -2.642 19436 3764 1 12 . 1 1 59 59 LYS H H 59 8.436 8.436 8.265 0.171 19436 3765 1 12 . 1 1 60 60 LYS N N 60 117.663 117.663 119.295 -1.632 19436 3766 1 12 . 1 1 60 60 LYS HA H 60 3.817 3.817 4.538 -0.721 19436 3767 1 12 . 1 1 60 60 LYS C C 60 177.762 177.762 175.971 1.791 19436 3768 1 12 . 1 1 60 60 LYS CA C 60 59.207 59.207 55.573 3.634 19436 3769 1 12 . 1 1 60 60 LYS CB C 60 32.269 32.269 34.068 -1.798 19436 3770 1 12 . 1 1 60 60 LYS H H 60 6.904 6.904 7.829 -0.925 19436 3771 1 12 . 1 1 61 61 SER N N 61 110.383 110.383 115.902 -5.519 19436 3772 1 12 . 1 1 61 61 SER HA H 61 4.527 4.527 5.101 -0.574 19436 3773 1 12 . 1 1 61 61 SER C C 61 174.006 174.006 172.827 1.179 19436 3774 1 12 . 1 1 61 61 SER CA C 61 58.671 58.671 57.313 1.358 19436 3775 1 12 . 1 1 61 61 SER CB C 61 64.444 64.444 65.499 -1.055 19436 3776 1 12 . 1 1 61 61 SER H H 61 7.381 7.381 8.448 -1.067 19436 3777 1 12 . 1 1 62 62 GLU N N 62 121.734 121.734 123.371 -1.637 19436 3778 1 12 . 1 1 62 62 GLU HA H 62 3.681 3.681 4.646 -0.965 19436 3779 1 12 . 1 1 62 62 GLU C C 62 172.751 172.751 174.608 -1.857 19436 3780 1 12 . 1 1 62 62 GLU CA C 62 52.861 52.861 55.646 -2.785 19436 3781 1 12 . 1 1 62 62 GLU CB C 62 30.206 30.206 30.784 -0.578 19436 3782 1 12 . 1 1 62 62 GLU H H 62 7.625 7.625 9.521 -1.896 19436 3783 1 12 . 1 1 63 63 PRO HA H 63 4.267 4.267 5.126 -0.859 19436 3784 1 12 . 1 1 63 63 PRO C C 63 176.541 176.541 176.991 -0.450 19436 3785 1 12 . 1 1 63 63 PRO CA C 63 64.621 64.621 61.536 3.085 19436 3786 1 12 . 1 1 63 63 PRO CB C 63 31.452 31.452 35.733 -4.281 19436 3787 1 12 . 1 1 64 64 TRP N N 64 115.298 115.298 121.106 -5.808 19436 3788 1 12 . 1 1 64 64 TRP HA H 64 4.645 4.645 4.769 -0.124 19436 3789 1 12 . 1 1 64 64 TRP C C 64 176.530 176.530 176.536 -0.006 19436 3790 1 12 . 1 1 64 64 TRP CA C 64 56.604 56.604 57.789 -1.185 19436 3791 1 12 . 1 1 64 64 TRP CB C 64 28.026 28.026 31.352 -3.326 19436 3792 1 12 . 1 1 64 64 TRP H H 64 6.837 6.837 8.491 -1.654 19436 3793 1 12 . 1 1 65 65 LEU N N 65 125.040 125.040 126.433 -1.393 19436 3794 1 12 . 1 1 65 65 LEU HA H 65 4.149 4.149 4.417 -0.268 19436 3795 1 12 . 1 1 65 65 LEU C C 65 177.528 177.528 175.515 2.013 19436 3796 1 12 . 1 1 65 65 LEU CA C 65 56.277 56.277 55.516 0.761 19436 3797 1 12 . 1 1 65 65 LEU CB C 65 43.152 43.152 42.836 0.316 19436 3798 1 12 . 1 1 65 65 LEU H H 65 7.252 7.252 8.915 -1.663 19436 3799 1 12 . 1 1 66 66 ARG N N 66 128.225 128.225 116.811 11.414 19436 3800 1 12 . 1 1 66 66 ARG HA H 66 4.578 4.578 4.480 0.098 19436 3801 1 12 . 1 1 66 66 ARG C C 66 175.757 175.757 175.761 -0.004 19436 3802 1 12 . 1 1 66 66 ARG CA C 66 55.105 55.105 54.590 0.515 19436 3803 1 12 . 1 1 66 66 ARG CB C 66 31.397 31.397 32.421 -1.024 19436 3804 1 12 . 1 1 66 66 ARG H H 66 8.892 8.892 7.916 0.976 19436 3805 1 12 . 1 1 67 67 LEU N N 67 127.896 127.896 120.944 6.952 19436 3806 1 12 . 1 1 67 67 LEU HA H 67 3.560 3.560 4.084 -0.524 19436 3807 1 12 . 1 1 67 67 LEU C C 67 175.383 175.383 175.911 -0.528 19436 3808 1 12 . 1 1 67 67 LEU CA C 67 54.595 54.595 54.423 0.172 19436 3809 1 12 . 1 1 67 67 LEU H H 67 8.328 8.328 8.361 -0.033 19436 3810 1 12 . 1 1 68 68 ASP HA H 68 4.719 4.719 4.563 0.156 19436 3811 1 12 . 1 1 68 68 ASP C C 68 174.373 174.373 175.728 -1.355 19436 3812 1 12 . 1 1 68 68 ASP CA C 68 52.936 52.936 55.739 -2.803 19436 3813 1 12 . 1 1 68 68 ASP CB C 68 41.363 41.363 40.852 0.511 19436 3814 1 12 . 1 1 69 69 MET N N 69 122.596 122.596 116.700 5.896 19436 3815 1 12 . 1 1 69 69 MET HA H 69 4.539 4.539 4.641 -0.102 19436 3816 1 12 . 1 1 69 69 MET C C 69 174.798 174.798 175.323 -0.525 19436 3817 1 12 . 1 1 69 69 MET CA C 69 53.657 53.657 53.733 -0.076 19436 3818 1 12 . 1 1 69 69 MET CB C 69 33.356 33.356 31.649 1.707 19436 3819 1 12 . 1 1 69 69 MET H H 69 8.777 8.777 7.974 0.803 19436 3820 1 12 . 1 1 70 70 SER N N 70 116.028 116.028 114.563 1.465 19436 3821 1 12 . 1 1 70 70 SER HA H 70 4.183 4.183 4.344 -0.161 19436 3822 1 12 . 1 1 70 70 SER C C 70 173.995 173.995 175.806 -1.811 19436 3823 1 12 . 1 1 70 70 SER CA C 70 58.683 58.683 59.396 -0.713 19436 3824 1 12 . 1 1 70 70 SER CB C 70 64.826 64.826 62.767 2.059 19436 3825 1 12 . 1 1 70 70 SER H H 70 8.179 8.179 7.661 0.518 19436 3826 1 12 . 1 1 71 71 ASP N N 71 121.658 121.658 123.912 -2.254 19436 3827 1 12 . 1 1 71 71 ASP HA H 71 3.788 3.788 4.243 -0.455 19436 3828 1 12 . 1 1 71 71 ASP C C 71 176.757 176.757 175.564 1.193 19436 3829 1 12 . 1 1 71 71 ASP CA C 71 57.426 57.426 54.060 3.366 19436 3830 1 12 . 1 1 71 71 ASP H H 71 8.789 8.789 8.973 -0.184 19436 3831 1 12 . 1 1 72 72 LYS N N 72 116.258 116.258 120.059 -3.801 19436 3832 1 12 . 1 1 72 72 LYS HA H 72 3.751 3.751 4.890 -1.139 19436 3833 1 12 . 1 1 72 72 LYS C C 72 178.882 178.882 174.570 4.312 19436 3834 1 12 . 1 1 72 72 LYS CA C 72 59.891 59.891 52.856 7.035 19436 3835 1 12 . 1 1 72 72 LYS CB C 72 32.195 32.195 33.021 -0.826 19436 3836 1 12 . 1 1 72 72 LYS H H 72 7.876 7.876 8.030 -0.154 19436 3837 1 12 . 1 1 73 73 ALA HA H 73 3.939 3.939 4.699 -0.760 19436 3838 1 12 . 1 1 73 73 ALA C C 73 181.112 181.112 177.456 3.656 19436 3839 1 12 . 1 1 73 73 ALA CA C 73 55.118 55.118 51.304 3.814 19436 3840 1 12 . 1 1 73 73 ALA CB C 73 17.847 17.847 19.655 -1.808 19436 3841 1 12 . 1 1 74 74 ILE N N 74 119.583 119.583 116.558 3.025 19436 3842 1 12 . 1 1 74 74 ILE HA H 74 3.477 3.477 4.404 -0.927 19436 3843 1 12 . 1 1 74 74 ILE C C 74 177.697 177.697 176.349 1.348 19436 3844 1 12 . 1 1 74 74 ILE CA C 74 66.112 66.112 61.394 4.718 19436 3845 1 12 . 1 1 74 74 ILE CB C 74 37.678 37.678 39.195 -1.517 19436 3846 1 12 . 1 1 74 74 ILE H H 74 8.119 8.119 8.447 -0.328 19436 3847 1 12 . 1 1 75 75 PHE N N 75 117.768 117.768 116.116 1.652 19436 3848 1 12 . 1 1 75 75 PHE HA H 75 4.431 4.431 4.863 -0.432 19436 3849 1 12 . 1 1 75 75 PHE C C 75 177.987 177.987 175.476 2.511 19436 3850 1 12 . 1 1 75 75 PHE CA C 75 56.968 56.968 55.452 1.516 19436 3851 1 12 . 1 1 75 75 PHE CB C 75 37.281 37.281 42.224 -4.943 19436 3852 1 12 . 1 1 75 75 PHE H H 75 8.553 8.553 8.010 0.543 19436 3853 1 12 . 1 1 76 76 ARG N N 76 117.370 117.370 121.151 -3.781 19436 3854 1 12 . 1 1 76 76 ARG HA H 76 4.059 4.059 4.016 0.043 19436 3855 1 12 . 1 1 76 76 ARG C C 76 177.520 177.520 178.335 -0.815 19436 3856 1 12 . 1 1 76 76 ARG CA C 76 58.690 58.690 59.803 -1.113 19436 3857 1 12 . 1 1 76 76 ARG CB C 76 30.417 30.417 30.102 0.315 19436 3858 1 12 . 1 1 76 76 ARG H H 76 7.532 7.532 8.861 -1.329 19436 3859 1 12 . 1 1 77 77 ARG N N 77 117.482 117.482 119.042 -1.560 19436 3860 1 12 . 1 1 77 77 ARG HA H 77 3.967 3.967 4.002 -0.035 19436 3861 1 12 . 1 1 77 77 ARG C C 77 176.168 176.168 178.028 -1.860 19436 3862 1 12 . 1 1 77 77 ARG CA C 77 57.472 57.472 59.618 -2.146 19436 3863 1 12 . 1 1 77 77 ARG CB C 77 31.746 31.746 29.817 1.929 19436 3864 1 12 . 1 1 77 77 ARG H H 77 7.222 7.222 8.286 -1.064 19436 3865 1 12 . 1 1 78 78 TYR N N 78 116.126 116.126 121.828 -5.702 19436 3866 1 12 . 1 1 78 78 TYR HA H 78 5.333 5.333 4.240 1.093 19436 3867 1 12 . 1 1 78 78 TYR C C 78 172.361 172.361 178.092 -5.731 19436 3868 1 12 . 1 1 78 78 TYR CB C 78 38.546 38.546 37.966 0.580 19436 3869 1 12 . 1 1 78 78 TYR H H 78 8.823 8.823 7.849 0.974 19436 3870 1 12 . 1 1 79 79 PRO HA H 79 4.441 4.441 3.794 0.647 19436 3871 1 12 . 1 1 79 79 PRO C C 79 178.491 178.491 178.970 -0.479 19436 3872 1 12 . 1 1 79 79 PRO CA C 79 64.854 64.854 66.373 -1.519 19436 3873 1 12 . 1 1 79 79 PRO CB C 79 31.694 31.694 31.078 0.616 19436 3874 1 12 . 1 1 80 80 HIS N N 80 115.604 115.604 117.558 -1.954 19436 3875 1 12 . 1 1 80 80 HIS HA H 80 4.549 4.549 4.206 0.343 19436 3876 1 12 . 1 1 80 80 HIS C C 80 176.202 176.202 177.587 -1.385 19436 3877 1 12 . 1 1 80 80 HIS CA C 80 58.597 58.597 59.581 -0.984 19436 3878 1 12 . 1 1 80 80 HIS CB C 80 29.685 29.685 29.836 -0.151 19436 3879 1 12 . 1 1 80 80 HIS H H 80 8.274 8.274 8.202 0.072 19436 3880 1 12 . 1 1 81 81 LEU N N 81 120.646 120.646 121.405 -0.759 19436 3881 1 12 . 1 1 81 81 LEU HA H 81 4.228 4.228 4.037 0.191 19436 3882 1 12 . 1 1 81 81 LEU C C 81 175.906 175.906 178.887 -2.981 19436 3883 1 12 . 1 1 81 81 LEU CA C 81 54.105 54.105 59.732 -5.627 19436 3884 1 12 . 1 1 81 81 LEU CB C 81 41.759 41.759 41.938 -0.179 19436 3885 1 12 . 1 1 81 81 LEU H H 81 7.609 7.609 8.207 -0.598 19436 3886 1 12 . 1 1 82 82 ARG N N 82 125.478 125.478 119.653 5.825 19436 3887 1 12 . 1 1 82 82 ARG C C 82 180.927 180.927 178.635 2.292 19436 3888 1 12 . 1 1 82 82 ARG H H 82 7.079 7.079 8.400 -1.321 19436 3889 1 13 . 1 1 2 2 PRO HA H 2 4.442 4.442 4.162 0.280 19436 3890 1 13 . 1 1 2 2 PRO CA C 2 62.895 62.895 63.168 -0.273 19436 3891 1 13 . 1 1 2 2 PRO CB C 2 31.958 31.958 31.588 0.370 19436 3892 1 13 . 1 1 3 3 SER N N 3 117.584 117.584 114.279 3.305 19436 3893 1 13 . 1 1 3 3 SER H H 3 8.434 8.434 8.361 0.073 19436 3894 1 13 . 1 1 4 4 PRO HA H 4 4.442 4.442 3.949 0.493 19436 3895 1 13 . 1 1 4 4 PRO C C 4 176.912 176.912 175.315 1.597 19436 3896 1 13 . 1 1 4 4 PRO CA C 4 63.325 63.325 63.384 -0.059 19436 3897 1 13 . 1 1 4 4 PRO CB C 4 32.011 32.011 32.050 -0.039 19436 3898 1 13 . 1 1 5 5 LEU N N 5 121.539 121.539 120.292 1.247 19436 3899 1 13 . 1 1 5 5 LEU HA H 5 4.344 4.344 4.346 -0.002 19436 3900 1 13 . 1 1 5 5 LEU C C 5 177.549 177.549 176.643 0.906 19436 3901 1 13 . 1 1 5 5 LEU CA C 5 55.395 55.395 54.841 0.554 19436 3902 1 13 . 1 1 5 5 LEU CB C 5 42.317 42.317 42.516 -0.198 19436 3903 1 13 . 1 1 5 5 LEU H H 5 8.281 8.281 8.079 0.202 19436 3904 1 13 . 1 1 6 6 SER N N 6 116.435 116.435 116.960 -0.525 19436 3905 1 13 . 1 1 6 6 SER HA H 6 4.464 4.464 4.349 0.115 19436 3906 1 13 . 1 1 6 6 SER C C 6 174.630 174.630 175.047 -0.417 19436 3907 1 13 . 1 1 6 6 SER CA C 6 58.262 58.262 59.133 -0.871 19436 3908 1 13 . 1 1 6 6 SER CB C 6 63.883 63.883 64.119 -0.236 19436 3909 1 13 . 1 1 6 6 SER H H 6 8.250 8.250 8.986 -0.736 19436 3910 1 13 . 1 1 7 7 SER N N 7 117.774 117.774 111.448 6.326 19436 3911 1 13 . 1 1 7 7 SER HA H 7 4.481 4.481 4.723 -0.242 19436 3912 1 13 . 1 1 7 7 SER C C 7 174.630 174.630 174.207 0.423 19436 3913 1 13 . 1 1 7 7 SER CA C 7 58.511 58.511 58.962 -0.451 19436 3914 1 13 . 1 1 7 7 SER CB C 7 63.827 63.827 65.460 -1.633 19436 3915 1 13 . 1 1 7 7 SER H H 7 8.392 8.392 8.666 -0.274 19436 3916 1 13 . 1 1 8 8 GLU N N 8 122.440 122.440 120.167 2.273 19436 3917 1 13 . 1 1 8 8 GLU HA H 8 4.332 4.332 4.642 -0.310 19436 3918 1 13 . 1 1 8 8 GLU C C 8 176.591 176.591 174.912 1.679 19436 3919 1 13 . 1 1 8 8 GLU CA C 8 56.846 56.846 56.120 0.726 19436 3920 1 13 . 1 1 8 8 GLU CB C 8 30.125 30.125 32.258 -2.133 19436 3921 1 13 . 1 1 8 8 GLU H H 8 8.458 8.458 8.554 -0.096 19436 3922 1 13 . 1 1 9 9 SER N N 9 116.179 116.179 118.230 -2.051 19436 3923 1 13 . 1 1 9 9 SER HA H 9 4.449 4.449 4.636 -0.187 19436 3924 1 13 . 1 1 9 9 SER C C 9 174.763 174.763 172.783 1.980 19436 3925 1 13 . 1 1 9 9 SER CA C 9 58.455 58.455 57.677 0.778 19436 3926 1 13 . 1 1 9 9 SER CB C 9 64.002 64.002 66.346 -2.344 19436 3927 1 13 . 1 1 9 9 SER H H 9 8.280 8.280 8.272 0.008 19436 3928 1 13 . 1 1 10 10 GLU N N 10 122.989 122.989 120.729 2.260 19436 3929 1 13 . 1 1 10 10 GLU HA H 10 4.212 4.212 4.739 -0.527 19436 3930 1 13 . 1 1 10 10 GLU C C 10 176.344 176.344 174.836 1.508 19436 3931 1 13 . 1 1 10 10 GLU CA C 10 56.967 56.967 56.709 0.258 19436 3932 1 13 . 1 1 10 10 GLU CB C 10 30.176 30.176 31.867 -1.691 19436 3933 1 13 . 1 1 10 10 GLU H H 10 8.488 8.488 8.946 -0.458 19436 3934 1 13 . 1 1 29 29 ALA N N 29 126.204 126.204 120.793 5.411 19436 3935 1 13 . 1 1 29 29 ALA HA H 29 4.487 4.487 4.482 0.005 19436 3936 1 13 . 1 1 29 29 ALA C C 29 176.100 176.100 176.096 0.004 19436 3937 1 13 . 1 1 29 29 ALA CA C 29 51.192 51.192 51.543 -0.351 19436 3938 1 13 . 1 1 29 29 ALA CB C 29 20.176 20.176 20.828 -0.652 19436 3939 1 13 . 1 1 29 29 ALA H H 29 8.570 8.570 8.022 0.548 19436 3940 1 13 . 1 1 30 30 ALA N N 30 128.202 128.202 123.781 4.421 19436 3941 1 13 . 1 1 30 30 ALA HA H 30 4.303 4.303 4.497 -0.194 19436 3942 1 13 . 1 1 30 30 ALA C C 30 176.096 176.096 175.510 0.586 19436 3943 1 13 . 1 1 30 30 ALA CA C 30 51.956 51.956 51.505 0.451 19436 3944 1 13 . 1 1 30 30 ALA CB C 30 18.945 18.945 19.851 -0.906 19436 3945 1 13 . 1 1 30 30 ALA H H 30 8.665 8.665 7.486 1.179 19436 3946 1 13 . 1 1 31 31 LEU N N 31 120.119 120.119 122.685 -2.566 19436 3947 1 13 . 1 1 31 31 LEU HA H 31 4.897 4.897 4.614 0.283 19436 3948 1 13 . 1 1 31 31 LEU C C 31 178.865 178.865 176.534 2.331 19436 3949 1 13 . 1 1 31 31 LEU CA C 31 52.051 52.051 55.104 -3.053 19436 3950 1 13 . 1 1 31 31 LEU CB C 31 44.147 44.147 43.469 0.678 19436 3951 1 13 . 1 1 31 31 LEU H H 31 8.034 8.034 8.367 -0.333 19436 3952 1 13 . 1 1 32 32 HIS N N 32 122.302 122.302 120.600 1.702 19436 3953 1 13 . 1 1 32 32 HIS HA H 32 4.186 4.186 4.352 -0.166 19436 3954 1 13 . 1 1 32 32 HIS C C 32 177.524 177.524 173.981 3.543 19436 3955 1 13 . 1 1 32 32 HIS H H 32 8.573 8.573 8.346 0.227 19436 3956 1 13 . 1 1 33 33 ALA HA H 33 4.411 4.411 4.981 -0.570 19436 3957 1 13 . 1 1 33 33 ALA CA C 33 53.433 53.433 51.602 1.831 19436 3958 1 13 . 1 1 33 33 ALA CB C 33 20.342 20.342 19.567 0.775 19436 3959 1 13 . 1 1 34 34 GLU HA H 34 4.684 4.684 4.652 0.032 19436 3960 1 13 . 1 1 34 34 GLU CA C 34 54.841 54.841 56.492 -1.651 19436 3961 1 13 . 1 1 34 34 GLU CB C 34 33.102 33.102 30.631 2.471 19436 3962 1 13 . 1 1 35 35 GLY N N 35 108.193 108.193 108.784 -0.591 19436 3963 1 13 . 1 1 35 35 GLY H H 35 8.661 8.661 8.438 0.223 19436 3964 1 13 . 1 1 36 36 PRO HA H 36 4.278 4.278 4.470 -0.192 19436 3965 1 13 . 1 1 36 36 PRO C C 36 177.885 177.885 176.342 1.543 19436 3966 1 13 . 1 1 36 36 PRO CA C 36 64.598 64.598 62.808 1.790 19436 3967 1 13 . 1 1 36 36 PRO CB C 36 31.945 31.945 32.922 -0.977 19436 3968 1 13 . 1 1 37 37 LEU N N 37 117.378 117.378 118.525 -1.147 19436 3969 1 13 . 1 1 37 37 LEU HA H 37 4.256 4.256 4.639 -0.383 19436 3970 1 13 . 1 1 37 37 LEU C C 37 174.928 174.928 175.910 -0.982 19436 3971 1 13 . 1 1 37 37 LEU CA C 37 52.682 52.682 54.646 -1.964 19436 3972 1 13 . 1 1 37 37 LEU CB C 37 40.999 40.999 42.678 -1.679 19436 3973 1 13 . 1 1 37 37 LEU H H 37 8.557 8.557 8.113 0.444 19436 3974 1 13 . 1 1 38 38 ALA N N 38 120.501 120.501 122.798 -2.297 19436 3975 1 13 . 1 1 38 38 ALA HA H 38 3.476 3.476 4.699 -1.223 19436 3976 1 13 . 1 1 38 38 ALA C C 38 178.760 178.760 176.658 2.102 19436 3977 1 13 . 1 1 38 38 ALA CA C 38 53.756 53.756 51.675 2.081 19436 3978 1 13 . 1 1 38 38 ALA CB C 38 17.949 17.949 20.467 -2.518 19436 3979 1 13 . 1 1 38 38 ALA H H 38 7.202 7.202 7.543 -0.341 19436 3980 1 13 . 1 1 39 39 GLY N N 39 108.963 108.963 111.125 -2.162 19436 3981 1 13 . 1 1 39 39 GLY C C 39 173.272 173.272 174.232 -0.960 19436 3982 1 13 . 1 1 39 39 GLY CA C 39 45.183 45.183 44.999 0.184 19436 3983 1 13 . 1 1 39 39 GLY H H 39 8.942 8.942 8.654 0.288 19436 3984 1 13 . 1 1 40 40 LEU N N 40 120.080 120.080 122.074 -1.994 19436 3985 1 13 . 1 1 40 40 LEU HA H 40 4.830 4.830 4.671 0.159 19436 3986 1 13 . 1 1 40 40 LEU C C 40 174.422 174.422 175.547 -1.125 19436 3987 1 13 . 1 1 40 40 LEU CB C 40 41.282 41.282 44.002 -2.720 19436 3988 1 13 . 1 1 40 40 LEU H H 40 8.216 8.216 7.508 0.708 19436 3989 1 13 . 1 1 41 41 PRO HA H 41 4.803 4.803 4.602 0.201 19436 3990 1 13 . 1 1 41 41 PRO CA C 41 61.528 61.528 62.864 -1.336 19436 3991 1 13 . 1 1 41 41 PRO CB C 41 31.384 31.384 31.898 -0.514 19436 3992 1 13 . 1 1 42 42 VAL N N 42 121.846 121.846 119.377 2.469 19436 3993 1 13 . 1 1 42 42 VAL HA H 42 3.510 3.510 3.867 -0.357 19436 3994 1 13 . 1 1 42 42 VAL CA C 42 65.888 65.888 63.722 2.166 19436 3995 1 13 . 1 1 42 42 VAL CB C 42 31.208 31.208 30.838 0.370 19436 3996 1 13 . 1 1 42 42 VAL H H 42 7.784 7.784 8.461 -0.677 19436 3997 1 13 . 1 1 43 43 THR N N 43 109.158 109.158 112.165 -3.007 19436 3998 1 13 . 1 1 43 43 THR HA H 43 4.996 4.996 4.205 0.791 19436 3999 1 13 . 1 1 43 43 THR CA C 43 59.964 59.964 63.166 -3.202 19436 4000 1 13 . 1 1 43 43 THR CB C 43 12.133 12.133 69.053 -56.920 19436 4001 1 13 . 1 1 43 43 THR H H 43 8.911 8.911 8.459 0.452 19436 4002 1 13 . 1 1 44 44 ARG N N 44 120.175 120.175 118.239 1.936 19436 4003 1 13 . 1 1 44 44 ARG HA H 44 3.936 3.936 4.481 -0.545 19436 4004 1 13 . 1 1 44 44 ARG CA C 44 60.596 60.596 55.771 4.825 19436 4005 1 13 . 1 1 44 44 ARG CB C 44 29.617 29.617 30.927 -1.310 19436 4006 1 13 . 1 1 44 44 ARG H H 44 9.305 9.305 8.069 1.236 19436 4007 1 13 . 1 1 45 45 SER N N 45 114.367 114.367 117.614 -3.247 19436 4008 1 13 . 1 1 45 45 SER HA H 45 4.118 4.118 4.675 -0.557 19436 4009 1 13 . 1 1 45 45 SER CA C 45 62.355 62.355 57.005 5.350 19436 4010 1 13 . 1 1 45 45 SER CB C 45 62.355 62.355 60.295 2.060 19436 4011 1 13 . 1 1 45 45 SER H H 45 8.192 8.192 7.716 0.476 19436 4012 1 13 . 1 1 46 46 ASP N N 46 120.511 120.511 125.767 -5.256 19436 4013 1 13 . 1 1 46 46 ASP HA H 46 4.396 4.396 4.768 -0.372 19436 4014 1 13 . 1 1 46 46 ASP C C 46 177.220 177.220 174.253 2.967 19436 4015 1 13 . 1 1 46 46 ASP CA C 46 58.113 58.113 54.185 3.928 19436 4016 1 13 . 1 1 46 46 ASP CB C 46 43.287 43.287 42.030 1.257 19436 4017 1 13 . 1 1 46 46 ASP H H 46 7.354 7.354 7.934 -0.580 19436 4018 1 13 . 1 1 47 47 ALA N N 47 120.606 120.606 124.223 -3.617 19436 4019 1 13 . 1 1 47 47 ALA HA H 47 3.736 3.736 4.595 -0.859 19436 4020 1 13 . 1 1 47 47 ALA C C 47 178.603 178.603 176.790 1.813 19436 4021 1 13 . 1 1 47 47 ALA CA C 47 54.879 54.879 51.231 3.648 19436 4022 1 13 . 1 1 47 47 ALA CB C 47 19.739 19.739 20.213 -0.474 19436 4023 1 13 . 1 1 47 47 ALA H H 47 7.838 7.838 7.655 0.183 19436 4024 1 13 . 1 1 48 48 ARG N N 48 116.233 116.233 121.809 -5.576 19436 4025 1 13 . 1 1 48 48 ARG HA H 48 3.796 3.796 4.185 -0.389 19436 4026 1 13 . 1 1 48 48 ARG C C 48 177.903 177.903 174.562 3.341 19436 4027 1 13 . 1 1 48 48 ARG CA C 48 61.517 61.517 58.128 3.389 19436 4028 1 13 . 1 1 48 48 ARG CB C 48 30.351 30.351 29.470 0.881 19436 4029 1 13 . 1 1 48 48 ARG H H 48 8.060 8.060 9.236 -1.176 19436 4030 1 13 . 1 1 49 49 VAL N N 49 119.026 119.026 118.434 0.592 19436 4031 1 13 . 1 1 49 49 VAL HA H 49 3.636 3.636 4.436 -0.800 19436 4032 1 13 . 1 1 49 49 VAL C C 49 177.817 177.817 174.228 3.589 19436 4033 1 13 . 1 1 49 49 VAL CA C 49 67.018 67.018 59.970 7.048 19436 4034 1 13 . 1 1 49 49 VAL CB C 49 31.821 31.821 31.859 -0.038 19436 4035 1 13 . 1 1 49 49 VAL H H 49 7.413 7.413 7.884 -0.471 19436 4036 1 13 . 1 1 50 50 LEU HA H 50 4.113 4.113 4.508 -0.395 19436 4037 1 13 . 1 1 50 50 LEU C C 50 180.992 180.992 174.934 6.058 19436 4038 1 13 . 1 1 50 50 LEU CA C 50 58.382 58.382 53.806 4.576 19436 4039 1 13 . 1 1 50 50 LEU CB C 50 41.668 41.668 41.839 -0.171 19436 4040 1 13 . 1 1 51 51 ILE HA H 51 3.698 3.698 4.308 -0.610 19436 4041 1 13 . 1 1 51 51 ILE C C 51 178.708 178.708 175.872 2.836 19436 4042 1 13 . 1 1 51 51 ILE CA C 51 65.868 65.868 61.068 4.800 19436 4043 1 13 . 1 1 51 51 ILE CB C 51 38.755 38.755 38.768 -0.013 19436 4044 1 13 . 1 1 52 52 PHE N N 52 123.370 123.370 119.814 3.556 19436 4045 1 13 . 1 1 52 52 PHE HA H 52 4.174 4.174 4.461 -0.287 19436 4046 1 13 . 1 1 52 52 PHE C C 52 176.998 176.998 176.178 0.820 19436 4047 1 13 . 1 1 52 52 PHE CA C 52 62.566 62.566 58.558 4.008 19436 4048 1 13 . 1 1 52 52 PHE CB C 52 39.295 39.295 39.198 0.097 19436 4049 1 13 . 1 1 52 52 PHE H H 52 8.748 8.748 8.601 0.147 19436 4050 1 13 . 1 1 53 53 ASN N N 53 117.944 117.944 118.079 -0.135 19436 4051 1 13 . 1 1 53 53 ASN HA H 53 4.478 4.478 4.953 -0.475 19436 4052 1 13 . 1 1 53 53 ASN C C 53 178.706 178.706 173.724 4.982 19436 4053 1 13 . 1 1 53 53 ASN CA C 53 56.027 56.027 53.062 2.965 19436 4054 1 13 . 1 1 53 53 ASN CB C 53 37.883 37.883 39.650 -1.767 19436 4055 1 13 . 1 1 53 53 ASN H H 53 8.990 8.990 8.248 0.742 19436 4056 1 13 . 1 1 54 54 GLU N N 54 121.168 121.168 118.829 2.339 19436 4057 1 13 . 1 1 54 54 GLU HA H 54 4.123 4.123 4.822 -0.699 19436 4058 1 13 . 1 1 54 54 GLU C C 54 177.753 177.753 174.862 2.891 19436 4059 1 13 . 1 1 54 54 GLU CA C 54 59.415 59.415 56.156 3.259 19436 4060 1 13 . 1 1 54 54 GLU CB C 54 30.146 30.146 31.892 -1.746 19436 4061 1 13 . 1 1 54 54 GLU H H 54 8.177 8.177 8.183 -0.006 19436 4062 1 13 . 1 1 55 55 TRP N N 55 122.549 122.549 121.198 1.351 19436 4063 1 13 . 1 1 55 55 TRP HA H 55 4.018 4.018 4.414 -0.396 19436 4064 1 13 . 1 1 55 55 TRP C C 55 176.647 176.647 175.425 1.222 19436 4065 1 13 . 1 1 55 55 TRP CA C 55 61.743 61.743 59.500 2.243 19436 4066 1 13 . 1 1 55 55 TRP CB C 55 27.960 27.960 28.145 -0.185 19436 4067 1 13 . 1 1 55 55 TRP H H 55 8.160 8.160 8.484 -0.324 19436 4068 1 13 . 1 1 56 56 GLU N N 56 117.397 117.397 118.856 -1.459 19436 4069 1 13 . 1 1 56 56 GLU HA H 56 2.962 2.962 4.610 -1.648 19436 4070 1 13 . 1 1 56 56 GLU C C 56 178.417 178.417 174.904 3.513 19436 4071 1 13 . 1 1 56 56 GLU CA C 56 59.739 59.739 54.770 4.968 19436 4072 1 13 . 1 1 56 56 GLU CB C 56 29.601 29.601 30.723 -1.122 19436 4073 1 13 . 1 1 56 56 GLU H H 56 8.558 8.558 8.259 0.299 19436 4074 1 13 . 1 1 57 57 GLU HA H 57 4.049 4.049 4.552 -0.503 19436 4075 1 13 . 1 1 57 57 GLU C C 57 179.462 179.462 176.082 3.380 19436 4076 1 13 . 1 1 57 57 GLU CA C 57 58.264 58.264 56.224 2.040 19436 4077 1 13 . 1 1 57 57 GLU CB C 57 29.826 29.826 28.145 1.681 19436 4078 1 13 . 1 1 58 58 ARG N N 58 120.321 120.321 121.689 -1.368 19436 4079 1 13 . 1 1 58 58 ARG HA H 58 3.922 3.922 4.038 -0.116 19436 4080 1 13 . 1 1 58 58 ARG C C 58 178.832 178.832 174.517 4.315 19436 4081 1 13 . 1 1 58 58 ARG CA C 58 58.846 58.846 55.260 3.586 19436 4082 1 13 . 1 1 58 58 ARG H H 58 8.420 8.420 7.906 0.514 19436 4083 1 13 . 1 1 59 59 LYS N N 59 118.447 118.447 119.622 -1.175 19436 4084 1 13 . 1 1 59 59 LYS HA H 59 3.681 3.681 4.787 -1.106 19436 4085 1 13 . 1 1 59 59 LYS C C 59 176.846 176.846 175.131 1.715 19436 4086 1 13 . 1 1 59 59 LYS CA C 59 57.540 57.540 56.374 1.166 19436 4087 1 13 . 1 1 59 59 LYS CB C 59 30.572 30.572 34.149 -3.577 19436 4088 1 13 . 1 1 59 59 LYS H H 59 8.436 8.436 8.281 0.155 19436 4089 1 13 . 1 1 60 60 LYS N N 60 117.663 117.663 121.834 -4.171 19436 4090 1 13 . 1 1 60 60 LYS HA H 60 3.817 3.817 4.827 -1.010 19436 4091 1 13 . 1 1 60 60 LYS C C 60 177.762 177.762 176.035 1.727 19436 4092 1 13 . 1 1 60 60 LYS CA C 60 59.207 59.207 55.401 3.807 19436 4093 1 13 . 1 1 60 60 LYS CB C 60 32.269 32.269 34.566 -2.297 19436 4094 1 13 . 1 1 60 60 LYS H H 60 6.904 6.904 8.547 -1.643 19436 4095 1 13 . 1 1 61 61 SER N N 61 110.383 110.383 115.955 -5.572 19436 4096 1 13 . 1 1 61 61 SER HA H 61 4.527 4.527 5.097 -0.570 19436 4097 1 13 . 1 1 61 61 SER C C 61 174.006 174.006 172.530 1.476 19436 4098 1 13 . 1 1 61 61 SER CA C 61 58.671 58.671 57.683 0.988 19436 4099 1 13 . 1 1 61 61 SER CB C 61 64.444 64.444 66.013 -1.569 19436 4100 1 13 . 1 1 61 61 SER H H 61 7.381 7.381 8.521 -1.140 19436 4101 1 13 . 1 1 62 62 GLU N N 62 121.734 121.734 121.659 0.075 19436 4102 1 13 . 1 1 62 62 GLU HA H 62 3.681 3.681 4.683 -1.002 19436 4103 1 13 . 1 1 62 62 GLU C C 62 172.751 172.751 174.586 -1.835 19436 4104 1 13 . 1 1 62 62 GLU CA C 62 52.861 52.861 55.620 -2.759 19436 4105 1 13 . 1 1 62 62 GLU CB C 62 30.206 30.206 30.761 -0.555 19436 4106 1 13 . 1 1 62 62 GLU H H 62 7.625 7.625 9.435 -1.810 19436 4107 1 13 . 1 1 63 63 PRO HA H 63 4.267 4.267 5.166 -0.899 19436 4108 1 13 . 1 1 63 63 PRO C C 63 176.541 176.541 176.984 -0.443 19436 4109 1 13 . 1 1 63 63 PRO CA C 63 64.621 64.621 61.542 3.079 19436 4110 1 13 . 1 1 63 63 PRO CB C 63 31.452 31.452 35.656 -4.204 19436 4111 1 13 . 1 1 64 64 TRP N N 64 115.298 115.298 120.903 -5.605 19436 4112 1 13 . 1 1 64 64 TRP HA H 64 4.645 4.645 4.827 -0.182 19436 4113 1 13 . 1 1 64 64 TRP C C 64 176.530 176.530 176.385 0.145 19436 4114 1 13 . 1 1 64 64 TRP CA C 64 56.604 56.604 57.478 -0.874 19436 4115 1 13 . 1 1 64 64 TRP CB C 64 28.026 28.026 31.667 -3.641 19436 4116 1 13 . 1 1 64 64 TRP H H 64 6.837 6.837 8.483 -1.646 19436 4117 1 13 . 1 1 65 65 LEU N N 65 125.040 125.040 125.530 -0.490 19436 4118 1 13 . 1 1 65 65 LEU HA H 65 4.149 4.149 4.450 -0.301 19436 4119 1 13 . 1 1 65 65 LEU C C 65 177.528 177.528 175.402 2.126 19436 4120 1 13 . 1 1 65 65 LEU CA C 65 56.277 56.277 55.305 0.972 19436 4121 1 13 . 1 1 65 65 LEU CB C 65 43.152 43.152 42.908 0.243 19436 4122 1 13 . 1 1 65 65 LEU H H 65 7.252 7.252 8.894 -1.642 19436 4123 1 13 . 1 1 66 66 ARG N N 66 128.225 128.225 117.186 11.039 19436 4124 1 13 . 1 1 66 66 ARG HA H 66 4.578 4.578 4.489 0.089 19436 4125 1 13 . 1 1 66 66 ARG C C 66 175.757 175.757 175.811 -0.054 19436 4126 1 13 . 1 1 66 66 ARG CA C 66 55.105 55.105 54.570 0.535 19436 4127 1 13 . 1 1 66 66 ARG CB C 66 31.397 31.397 32.459 -1.062 19436 4128 1 13 . 1 1 66 66 ARG H H 66 8.892 8.892 7.899 0.993 19436 4129 1 13 . 1 1 67 67 LEU N N 67 127.896 127.896 121.208 6.688 19436 4130 1 13 . 1 1 67 67 LEU HA H 67 3.560 3.560 4.073 -0.513 19436 4131 1 13 . 1 1 67 67 LEU C C 67 175.383 175.383 175.938 -0.555 19436 4132 1 13 . 1 1 67 67 LEU CA C 67 54.595 54.595 54.535 0.061 19436 4133 1 13 . 1 1 67 67 LEU H H 67 8.328 8.328 8.389 -0.061 19436 4134 1 13 . 1 1 68 68 ASP HA H 68 4.719 4.719 4.594 0.125 19436 4135 1 13 . 1 1 68 68 ASP C C 68 174.373 174.373 175.907 -1.534 19436 4136 1 13 . 1 1 68 68 ASP CA C 68 52.936 52.936 55.662 -2.726 19436 4137 1 13 . 1 1 68 68 ASP CB C 68 41.363 41.363 40.808 0.555 19436 4138 1 13 . 1 1 69 69 MET N N 69 122.596 122.596 116.807 5.789 19436 4139 1 13 . 1 1 69 69 MET HA H 69 4.539 4.539 4.643 -0.104 19436 4140 1 13 . 1 1 69 69 MET C C 69 174.798 174.798 175.502 -0.704 19436 4141 1 13 . 1 1 69 69 MET CA C 69 53.657 53.657 54.040 -0.383 19436 4142 1 13 . 1 1 69 69 MET CB C 69 33.356 33.356 31.865 1.491 19436 4143 1 13 . 1 1 69 69 MET H H 69 8.777 8.777 7.935 0.842 19436 4144 1 13 . 1 1 70 70 SER N N 70 116.028 116.028 114.917 1.111 19436 4145 1 13 . 1 1 70 70 SER HA H 70 4.183 4.183 4.416 -0.233 19436 4146 1 13 . 1 1 70 70 SER C C 70 173.995 173.995 175.610 -1.615 19436 4147 1 13 . 1 1 70 70 SER CA C 70 58.683 58.683 59.394 -0.711 19436 4148 1 13 . 1 1 70 70 SER CB C 70 64.826 64.826 62.869 1.957 19436 4149 1 13 . 1 1 70 70 SER H H 70 8.179 8.179 7.641 0.538 19436 4150 1 13 . 1 1 71 71 ASP N N 71 121.658 121.658 124.884 -3.226 19436 4151 1 13 . 1 1 71 71 ASP HA H 71 3.788 3.788 4.340 -0.552 19436 4152 1 13 . 1 1 71 71 ASP C C 71 176.757 176.757 175.968 0.789 19436 4153 1 13 . 1 1 71 71 ASP CA C 71 57.426 57.426 54.088 3.338 19436 4154 1 13 . 1 1 71 71 ASP H H 71 8.789 8.789 8.951 -0.162 19436 4155 1 13 . 1 1 72 72 LYS N N 72 116.258 116.258 120.204 -3.946 19436 4156 1 13 . 1 1 72 72 LYS HA H 72 3.751 3.751 4.869 -1.118 19436 4157 1 13 . 1 1 72 72 LYS C C 72 178.882 178.882 174.587 4.295 19436 4158 1 13 . 1 1 72 72 LYS CA C 72 59.891 59.891 52.910 6.981 19436 4159 1 13 . 1 1 72 72 LYS CB C 72 32.195 32.195 32.960 -0.765 19436 4160 1 13 . 1 1 72 72 LYS H H 72 7.876 7.876 8.050 -0.174 19436 4161 1 13 . 1 1 73 73 ALA HA H 73 3.939 3.939 4.687 -0.748 19436 4162 1 13 . 1 1 73 73 ALA C C 73 181.112 181.112 177.273 3.839 19436 4163 1 13 . 1 1 73 73 ALA CA C 73 55.118 55.118 51.256 3.862 19436 4164 1 13 . 1 1 73 73 ALA CB C 73 17.847 17.847 19.778 -1.931 19436 4165 1 13 . 1 1 74 74 ILE N N 74 119.583 119.583 116.184 3.399 19436 4166 1 13 . 1 1 74 74 ILE HA H 74 3.477 3.477 4.466 -0.989 19436 4167 1 13 . 1 1 74 74 ILE C C 74 177.697 177.697 176.312 1.385 19436 4168 1 13 . 1 1 74 74 ILE CA C 74 66.112 66.112 61.156 4.956 19436 4169 1 13 . 1 1 74 74 ILE CB C 74 37.678 37.678 39.235 -1.557 19436 4170 1 13 . 1 1 74 74 ILE H H 74 8.119 8.119 8.300 -0.181 19436 4171 1 13 . 1 1 75 75 PHE N N 75 117.768 117.768 116.459 1.309 19436 4172 1 13 . 1 1 75 75 PHE HA H 75 4.431 4.431 4.906 -0.475 19436 4173 1 13 . 1 1 75 75 PHE C C 75 177.987 177.987 175.646 2.341 19436 4174 1 13 . 1 1 75 75 PHE CA C 75 56.968 56.968 55.433 1.535 19436 4175 1 13 . 1 1 75 75 PHE CB C 75 37.281 37.281 42.160 -4.879 19436 4176 1 13 . 1 1 75 75 PHE H H 75 8.553 8.553 7.953 0.600 19436 4177 1 13 . 1 1 76 76 ARG N N 76 117.370 117.370 121.230 -3.860 19436 4178 1 13 . 1 1 76 76 ARG HA H 76 4.059 4.059 4.056 0.003 19436 4179 1 13 . 1 1 76 76 ARG C C 76 177.520 177.520 178.663 -1.143 19436 4180 1 13 . 1 1 76 76 ARG CA C 76 58.690 58.690 60.112 -1.423 19436 4181 1 13 . 1 1 76 76 ARG CB C 76 30.417 30.417 29.949 0.468 19436 4182 1 13 . 1 1 76 76 ARG H H 76 7.532 7.532 8.907 -1.375 19436 4183 1 13 . 1 1 77 77 ARG N N 77 117.482 117.482 120.539 -3.057 19436 4184 1 13 . 1 1 77 77 ARG HA H 77 3.967 3.967 4.017 -0.050 19436 4185 1 13 . 1 1 77 77 ARG C C 77 176.168 176.168 178.276 -2.108 19436 4186 1 13 . 1 1 77 77 ARG CA C 77 57.472 57.472 59.448 -1.976 19436 4187 1 13 . 1 1 77 77 ARG CB C 77 31.746 31.746 29.741 2.005 19436 4188 1 13 . 1 1 77 77 ARG H H 77 7.222 7.222 8.264 -1.042 19436 4189 1 13 . 1 1 78 78 TYR N N 78 116.126 116.126 122.395 -6.269 19436 4190 1 13 . 1 1 78 78 TYR HA H 78 5.333 5.333 4.254 1.079 19436 4191 1 13 . 1 1 78 78 TYR C C 78 172.361 172.361 178.016 -5.655 19436 4192 1 13 . 1 1 78 78 TYR CB C 78 38.546 38.546 37.966 0.580 19436 4193 1 13 . 1 1 78 78 TYR H H 78 8.823 8.823 7.927 0.896 19436 4194 1 13 . 1 1 79 79 PRO HA H 79 4.441 4.441 3.959 0.482 19436 4195 1 13 . 1 1 79 79 PRO C C 79 178.491 178.491 179.686 -1.195 19436 4196 1 13 . 1 1 79 79 PRO CA C 79 64.854 64.854 66.172 -1.318 19436 4197 1 13 . 1 1 79 79 PRO CB C 79 31.694 31.694 31.128 0.566 19436 4198 1 13 . 1 1 80 80 HIS N N 80 115.604 115.604 116.906 -1.302 19436 4199 1 13 . 1 1 80 80 HIS HA H 80 4.549 4.549 4.247 0.302 19436 4200 1 13 . 1 1 80 80 HIS C C 80 176.202 176.202 177.885 -1.683 19436 4201 1 13 . 1 1 80 80 HIS CA C 80 58.597 58.597 59.610 -1.013 19436 4202 1 13 . 1 1 80 80 HIS CB C 80 29.685 29.685 29.707 -0.022 19436 4203 1 13 . 1 1 80 80 HIS H H 80 8.274 8.274 8.130 0.144 19436 4204 1 13 . 1 1 81 81 LEU N N 81 120.646 120.646 122.291 -1.645 19436 4205 1 13 . 1 1 81 81 LEU HA H 81 4.228 4.228 4.030 0.198 19436 4206 1 13 . 1 1 81 81 LEU C C 81 175.906 175.906 178.573 -2.667 19436 4207 1 13 . 1 1 81 81 LEU CA C 81 54.105 54.105 59.496 -5.391 19436 4208 1 13 . 1 1 81 81 LEU CB C 81 41.759 41.759 41.777 -0.018 19436 4209 1 13 . 1 1 81 81 LEU H H 81 7.609 7.609 8.301 -0.692 19436 4210 1 13 . 1 1 82 82 ARG N N 82 125.478 125.478 119.935 5.543 19436 4211 1 13 . 1 1 82 82 ARG C C 82 180.927 180.927 178.634 2.293 19436 4212 1 13 . 1 1 82 82 ARG H H 82 7.079 7.079 8.436 -1.357 19436 4213 1 14 . 1 1 2 2 PRO HA H 2 4.442 4.442 4.283 0.159 19436 4214 1 14 . 1 1 2 2 PRO CA C 2 62.895 62.895 63.471 -0.576 19436 4215 1 14 . 1 1 2 2 PRO CB C 2 31.958 31.958 31.890 0.068 19436 4216 1 14 . 1 1 3 3 SER N N 3 117.584 117.584 116.534 1.050 19436 4217 1 14 . 1 1 3 3 SER H H 3 8.434 8.434 8.300 0.134 19436 4218 1 14 . 1 1 4 4 PRO HA H 4 4.442 4.442 4.727 -0.285 19436 4219 1 14 . 1 1 4 4 PRO C C 4 176.912 176.912 175.572 1.340 19436 4220 1 14 . 1 1 4 4 PRO CA C 4 63.325 63.325 62.453 0.872 19436 4221 1 14 . 1 1 4 4 PRO CB C 4 32.011 32.011 32.513 -0.501 19436 4222 1 14 . 1 1 5 5 LEU N N 5 121.539 121.539 121.687 -0.148 19436 4223 1 14 . 1 1 5 5 LEU HA H 5 4.344 4.344 5.052 -0.708 19436 4224 1 14 . 1 1 5 5 LEU C C 5 177.549 177.549 174.970 2.579 19436 4225 1 14 . 1 1 5 5 LEU CA C 5 55.395 55.395 54.179 1.216 19436 4226 1 14 . 1 1 5 5 LEU CB C 5 42.317 42.317 43.377 -1.060 19436 4227 1 14 . 1 1 5 5 LEU H H 5 8.281 8.281 8.761 -0.480 19436 4228 1 14 . 1 1 6 6 SER N N 6 116.435 116.435 114.454 1.981 19436 4229 1 14 . 1 1 6 6 SER HA H 6 4.464 4.464 5.117 -0.653 19436 4230 1 14 . 1 1 6 6 SER C C 6 174.630 174.630 172.947 1.683 19436 4231 1 14 . 1 1 6 6 SER CA C 6 58.262 58.262 57.305 0.957 19436 4232 1 14 . 1 1 6 6 SER CB C 6 63.883 63.883 65.353 -1.470 19436 4233 1 14 . 1 1 6 6 SER H H 6 8.250 8.250 9.303 -1.053 19436 4234 1 14 . 1 1 7 7 SER N N 7 117.774 117.774 114.168 3.606 19436 4235 1 14 . 1 1 7 7 SER HA H 7 4.481 4.481 5.166 -0.685 19436 4236 1 14 . 1 1 7 7 SER C C 7 174.630 174.630 172.703 1.927 19436 4237 1 14 . 1 1 7 7 SER CA C 7 58.511 58.511 57.289 1.222 19436 4238 1 14 . 1 1 7 7 SER CB C 7 63.827 63.827 65.836 -2.009 19436 4239 1 14 . 1 1 7 7 SER H H 7 8.392 8.392 9.158 -0.766 19436 4240 1 14 . 1 1 8 8 GLU N N 8 122.440 122.440 120.741 1.699 19436 4241 1 14 . 1 1 8 8 GLU HA H 8 4.332 4.332 4.824 -0.492 19436 4242 1 14 . 1 1 8 8 GLU C C 8 176.591 176.591 174.878 1.713 19436 4243 1 14 . 1 1 8 8 GLU CA C 8 56.846 56.846 56.010 0.836 19436 4244 1 14 . 1 1 8 8 GLU CB C 8 30.125 30.125 31.520 -1.395 19436 4245 1 14 . 1 1 8 8 GLU H H 8 8.458 8.458 9.579 -1.121 19436 4246 1 14 . 1 1 9 9 SER N N 9 116.179 116.179 116.471 -0.292 19436 4247 1 14 . 1 1 9 9 SER HA H 9 4.449 4.449 4.787 -0.338 19436 4248 1 14 . 1 1 9 9 SER C C 9 174.763 174.763 172.196 2.567 19436 4249 1 14 . 1 1 9 9 SER CA C 9 58.455 58.455 57.060 1.395 19436 4250 1 14 . 1 1 9 9 SER CB C 9 64.002 64.002 65.647 -1.645 19436 4251 1 14 . 1 1 9 9 SER H H 9 8.280 8.280 8.296 -0.016 19436 4252 1 14 . 1 1 10 10 GLU N N 10 122.989 122.989 119.977 3.012 19436 4253 1 14 . 1 1 10 10 GLU HA H 10 4.212 4.212 4.524 -0.312 19436 4254 1 14 . 1 1 10 10 GLU C C 10 176.344 176.344 174.852 1.492 19436 4255 1 14 . 1 1 10 10 GLU CA C 10 56.967 56.967 56.566 0.401 19436 4256 1 14 . 1 1 10 10 GLU CB C 10 30.176 30.176 31.321 -1.145 19436 4257 1 14 . 1 1 10 10 GLU H H 10 8.488 8.488 8.575 -0.087 19436 4258 1 14 . 1 1 29 29 ALA N N 29 126.204 126.204 124.496 1.708 19436 4259 1 14 . 1 1 29 29 ALA HA H 29 4.487 4.487 4.350 0.137 19436 4260 1 14 . 1 1 29 29 ALA C C 29 176.100 176.100 176.574 -0.474 19436 4261 1 14 . 1 1 29 29 ALA CA C 29 51.192 51.192 52.491 -1.299 19436 4262 1 14 . 1 1 29 29 ALA CB C 29 20.176 20.176 19.951 0.225 19436 4263 1 14 . 1 1 29 29 ALA H H 29 8.570 8.570 8.367 0.203 19436 4264 1 14 . 1 1 30 30 ALA N N 30 128.202 128.202 122.845 5.357 19436 4265 1 14 . 1 1 30 30 ALA HA H 30 4.303 4.303 4.258 0.045 19436 4266 1 14 . 1 1 30 30 ALA C C 30 176.096 176.096 176.755 -0.659 19436 4267 1 14 . 1 1 30 30 ALA CA C 30 51.956 51.956 52.531 -0.575 19436 4268 1 14 . 1 1 30 30 ALA CB C 30 18.945 18.945 19.344 -0.399 19436 4269 1 14 . 1 1 30 30 ALA H H 30 8.665 8.665 7.754 0.911 19436 4270 1 14 . 1 1 31 31 LEU N N 31 120.119 120.119 123.081 -2.962 19436 4271 1 14 . 1 1 31 31 LEU HA H 31 4.897 4.897 4.485 0.412 19436 4272 1 14 . 1 1 31 31 LEU C C 31 178.865 178.865 176.492 2.373 19436 4273 1 14 . 1 1 31 31 LEU CA C 31 52.051 52.051 54.838 -2.787 19436 4274 1 14 . 1 1 31 31 LEU CB C 31 44.147 44.147 42.908 1.239 19436 4275 1 14 . 1 1 31 31 LEU H H 31 8.034 8.034 8.393 -0.359 19436 4276 1 14 . 1 1 32 32 HIS N N 32 122.302 122.302 120.081 2.221 19436 4277 1 14 . 1 1 32 32 HIS HA H 32 4.186 4.186 4.449 -0.263 19436 4278 1 14 . 1 1 32 32 HIS C C 32 177.524 177.524 174.224 3.300 19436 4279 1 14 . 1 1 32 32 HIS H H 32 8.573 8.573 7.991 0.582 19436 4280 1 14 . 1 1 33 33 ALA HA H 33 4.411 4.411 4.475 -0.064 19436 4281 1 14 . 1 1 33 33 ALA CA C 33 53.433 53.433 51.065 2.368 19436 4282 1 14 . 1 1 33 33 ALA CB C 33 20.342 20.342 19.232 1.110 19436 4283 1 14 . 1 1 34 34 GLU HA H 34 4.684 4.684 4.684 -0.000 19436 4284 1 14 . 1 1 34 34 GLU CA C 34 54.841 54.841 56.385 -1.544 19436 4285 1 14 . 1 1 34 34 GLU CB C 34 33.102 33.102 30.778 2.324 19436 4286 1 14 . 1 1 35 35 GLY N N 35 108.193 108.193 109.472 -1.279 19436 4287 1 14 . 1 1 35 35 GLY H H 35 8.661 8.661 8.261 0.400 19436 4288 1 14 . 1 1 36 36 PRO HA H 36 4.278 4.278 4.548 -0.270 19436 4289 1 14 . 1 1 36 36 PRO C C 36 177.885 177.885 176.061 1.824 19436 4290 1 14 . 1 1 36 36 PRO CA C 36 64.598 64.598 63.315 1.284 19436 4291 1 14 . 1 1 36 36 PRO CB C 36 31.945 31.945 32.601 -0.656 19436 4292 1 14 . 1 1 37 37 LEU N N 37 117.378 117.378 121.950 -4.572 19436 4293 1 14 . 1 1 37 37 LEU HA H 37 4.256 4.256 4.550 -0.294 19436 4294 1 14 . 1 1 37 37 LEU C C 37 174.928 174.928 176.301 -1.373 19436 4295 1 14 . 1 1 37 37 LEU CA C 37 52.682 52.682 54.714 -2.031 19436 4296 1 14 . 1 1 37 37 LEU CB C 37 40.999 40.999 42.646 -1.647 19436 4297 1 14 . 1 1 37 37 LEU H H 37 8.557 8.557 8.108 0.449 19436 4298 1 14 . 1 1 38 38 ALA N N 38 120.501 120.501 122.937 -2.436 19436 4299 1 14 . 1 1 38 38 ALA HA H 38 3.476 3.476 4.368 -0.892 19436 4300 1 14 . 1 1 38 38 ALA C C 38 178.760 178.760 177.743 1.017 19436 4301 1 14 . 1 1 38 38 ALA CA C 38 53.756 53.756 52.384 1.372 19436 4302 1 14 . 1 1 38 38 ALA CB C 38 17.949 17.949 19.718 -1.769 19436 4303 1 14 . 1 1 38 38 ALA H H 38 7.202 7.202 7.750 -0.548 19436 4304 1 14 . 1 1 39 39 GLY N N 39 108.963 108.963 111.360 -2.397 19436 4305 1 14 . 1 1 39 39 GLY C C 39 173.272 173.272 173.599 -0.327 19436 4306 1 14 . 1 1 39 39 GLY CA C 39 45.183 45.183 45.373 -0.190 19436 4307 1 14 . 1 1 39 39 GLY H H 39 8.942 8.942 8.680 0.262 19436 4308 1 14 . 1 1 40 40 LEU N N 40 120.080 120.080 120.654 -0.574 19436 4309 1 14 . 1 1 40 40 LEU HA H 40 4.830 4.830 4.031 0.799 19436 4310 1 14 . 1 1 40 40 LEU C C 40 174.422 174.422 175.693 -1.271 19436 4311 1 14 . 1 1 40 40 LEU CB C 40 41.282 41.282 40.878 0.404 19436 4312 1 14 . 1 1 40 40 LEU H H 40 8.216 8.216 8.359 -0.143 19436 4313 1 14 . 1 1 41 41 PRO HA H 41 4.803 4.803 4.489 0.314 19436 4314 1 14 . 1 1 41 41 PRO CA C 41 61.528 61.528 63.321 -1.793 19436 4315 1 14 . 1 1 41 41 PRO CB C 41 31.384 31.384 32.422 -1.038 19436 4316 1 14 . 1 1 42 42 VAL N N 42 121.846 121.846 117.213 4.633 19436 4317 1 14 . 1 1 42 42 VAL HA H 42 3.510 3.510 3.834 -0.324 19436 4318 1 14 . 1 1 42 42 VAL CA C 42 65.888 65.888 63.576 2.312 19436 4319 1 14 . 1 1 42 42 VAL CB C 42 31.208 31.208 31.274 -0.066 19436 4320 1 14 . 1 1 42 42 VAL H H 42 7.784 7.784 8.478 -0.694 19436 4321 1 14 . 1 1 43 43 THR N N 43 109.158 109.158 115.731 -6.573 19436 4322 1 14 . 1 1 43 43 THR HA H 43 4.996 4.996 4.303 0.693 19436 4323 1 14 . 1 1 43 43 THR CA C 43 59.964 59.964 62.995 -3.031 19436 4324 1 14 . 1 1 43 43 THR CB C 43 12.133 12.133 68.387 -56.254 19436 4325 1 14 . 1 1 43 43 THR H H 43 8.911 8.911 8.066 0.845 19436 4326 1 14 . 1 1 44 44 ARG N N 44 120.175 120.175 118.687 1.488 19436 4327 1 14 . 1 1 44 44 ARG HA H 44 3.936 3.936 3.917 0.019 19436 4328 1 14 . 1 1 44 44 ARG CA C 44 60.596 60.596 57.024 3.572 19436 4329 1 14 . 1 1 44 44 ARG CB C 44 29.617 29.617 28.101 1.516 19436 4330 1 14 . 1 1 44 44 ARG H H 44 9.305 9.305 8.401 0.904 19436 4331 1 14 . 1 1 45 45 SER N N 45 114.367 114.367 106.551 7.816 19436 4332 1 14 . 1 1 45 45 SER HA H 45 4.118 4.118 4.201 -0.083 19436 4333 1 14 . 1 1 45 45 SER CA C 45 62.355 62.355 60.260 2.095 19436 4334 1 14 . 1 1 45 45 SER CB C 45 62.355 62.355 62.496 -0.141 19436 4335 1 14 . 1 1 45 45 SER H H 45 8.192 8.192 8.102 0.090 19436 4336 1 14 . 1 1 46 46 ASP N N 46 120.511 120.511 118.278 2.233 19436 4337 1 14 . 1 1 46 46 ASP HA H 46 4.396 4.396 4.482 -0.086 19436 4338 1 14 . 1 1 46 46 ASP C C 46 177.220 177.220 176.360 0.860 19436 4339 1 14 . 1 1 46 46 ASP CA C 46 58.113 58.113 55.808 2.305 19436 4340 1 14 . 1 1 46 46 ASP CB C 46 43.287 43.287 40.682 2.605 19436 4341 1 14 . 1 1 46 46 ASP H H 46 7.354 7.354 7.948 -0.594 19436 4342 1 14 . 1 1 47 47 ALA N N 47 120.606 120.606 120.823 -0.217 19436 4343 1 14 . 1 1 47 47 ALA HA H 47 3.736 3.736 4.380 -0.644 19436 4344 1 14 . 1 1 47 47 ALA C C 47 178.603 178.603 177.232 1.371 19436 4345 1 14 . 1 1 47 47 ALA CA C 47 54.879 54.879 51.931 2.948 19436 4346 1 14 . 1 1 47 47 ALA CB C 47 19.739 19.739 22.225 -2.486 19436 4347 1 14 . 1 1 47 47 ALA H H 47 7.838 7.838 7.940 -0.102 19436 4348 1 14 . 1 1 48 48 ARG N N 48 116.233 116.233 124.118 -7.885 19436 4349 1 14 . 1 1 48 48 ARG HA H 48 3.796 3.796 4.326 -0.530 19436 4350 1 14 . 1 1 48 48 ARG C C 48 177.903 177.903 175.421 2.482 19436 4351 1 14 . 1 1 48 48 ARG CA C 48 61.517 61.517 56.578 4.939 19436 4352 1 14 . 1 1 48 48 ARG CB C 48 30.351 30.351 29.342 1.009 19436 4353 1 14 . 1 1 48 48 ARG H H 48 8.060 8.060 8.094 -0.034 19436 4354 1 14 . 1 1 49 49 VAL N N 49 119.026 119.026 119.573 -0.547 19436 4355 1 14 . 1 1 49 49 VAL HA H 49 3.636 3.636 4.469 -0.833 19436 4356 1 14 . 1 1 49 49 VAL C C 49 177.817 177.817 174.155 3.662 19436 4357 1 14 . 1 1 49 49 VAL CA C 49 67.018 67.018 59.155 7.863 19436 4358 1 14 . 1 1 49 49 VAL CB C 49 31.821 31.821 31.519 0.302 19436 4359 1 14 . 1 1 49 49 VAL H H 49 7.413 7.413 7.779 -0.366 19436 4360 1 14 . 1 1 50 50 LEU HA H 50 4.113 4.113 4.451 -0.338 19436 4361 1 14 . 1 1 50 50 LEU C C 50 180.992 180.992 175.708 5.284 19436 4362 1 14 . 1 1 50 50 LEU CA C 50 58.382 58.382 53.552 4.830 19436 4363 1 14 . 1 1 50 50 LEU CB C 50 41.668 41.668 41.390 0.278 19436 4364 1 14 . 1 1 51 51 ILE HA H 51 3.698 3.698 4.297 -0.599 19436 4365 1 14 . 1 1 51 51 ILE C C 51 178.708 178.708 174.465 4.243 19436 4366 1 14 . 1 1 51 51 ILE CA C 51 65.868 65.868 60.888 4.981 19436 4367 1 14 . 1 1 51 51 ILE CB C 51 38.755 38.755 36.618 2.136 19436 4368 1 14 . 1 1 52 52 PHE N N 52 123.370 123.370 119.711 3.659 19436 4369 1 14 . 1 1 52 52 PHE HA H 52 4.174 4.174 4.900 -0.726 19436 4370 1 14 . 1 1 52 52 PHE C C 52 176.998 176.998 175.085 1.913 19436 4371 1 14 . 1 1 52 52 PHE CA C 52 62.566 62.566 56.769 5.797 19436 4372 1 14 . 1 1 52 52 PHE CB C 52 39.295 39.295 41.647 -2.352 19436 4373 1 14 . 1 1 52 52 PHE H H 52 8.748 8.748 8.021 0.727 19436 4374 1 14 . 1 1 53 53 ASN N N 53 117.944 117.944 119.671 -1.727 19436 4375 1 14 . 1 1 53 53 ASN HA H 53 4.478 4.478 4.783 -0.305 19436 4376 1 14 . 1 1 53 53 ASN C C 53 178.706 178.706 174.961 3.745 19436 4377 1 14 . 1 1 53 53 ASN CA C 53 56.027 56.027 53.788 2.239 19436 4378 1 14 . 1 1 53 53 ASN CB C 53 37.883 37.883 39.373 -1.490 19436 4379 1 14 . 1 1 53 53 ASN H H 53 8.990 8.990 8.674 0.316 19436 4380 1 14 . 1 1 54 54 GLU N N 54 121.168 121.168 119.233 1.935 19436 4381 1 14 . 1 1 54 54 GLU HA H 54 4.123 4.123 4.631 -0.508 19436 4382 1 14 . 1 1 54 54 GLU C C 54 177.753 177.753 174.648 3.105 19436 4383 1 14 . 1 1 54 54 GLU CA C 54 59.415 59.415 55.666 3.749 19436 4384 1 14 . 1 1 54 54 GLU CB C 54 30.146 30.146 31.469 -1.323 19436 4385 1 14 . 1 1 54 54 GLU H H 54 8.177 8.177 8.054 0.123 19436 4386 1 14 . 1 1 55 55 TRP N N 55 122.549 122.549 123.612 -1.063 19436 4387 1 14 . 1 1 55 55 TRP HA H 55 4.018 4.018 5.134 -1.116 19436 4388 1 14 . 1 1 55 55 TRP C C 55 176.647 176.647 175.583 1.064 19436 4389 1 14 . 1 1 55 55 TRP CA C 55 61.743 61.743 57.563 4.180 19436 4390 1 14 . 1 1 55 55 TRP CB C 55 27.960 27.960 29.957 -1.997 19436 4391 1 14 . 1 1 55 55 TRP H H 55 8.160 8.160 8.713 -0.553 19436 4392 1 14 . 1 1 56 56 GLU N N 56 117.397 117.397 119.777 -2.380 19436 4393 1 14 . 1 1 56 56 GLU HA H 56 2.962 2.962 4.625 -1.663 19436 4394 1 14 . 1 1 56 56 GLU C C 56 178.417 178.417 175.127 3.290 19436 4395 1 14 . 1 1 56 56 GLU CA C 56 59.739 59.739 54.546 5.193 19436 4396 1 14 . 1 1 56 56 GLU CB C 56 29.601 29.601 29.629 -0.028 19436 4397 1 14 . 1 1 56 56 GLU H H 56 8.558 8.558 8.319 0.239 19436 4398 1 14 . 1 1 57 57 GLU HA H 57 4.049 4.049 4.322 -0.273 19436 4399 1 14 . 1 1 57 57 GLU C C 57 179.462 179.462 177.112 2.350 19436 4400 1 14 . 1 1 57 57 GLU CA C 57 58.264 58.264 56.695 1.569 19436 4401 1 14 . 1 1 57 57 GLU CB C 57 29.826 29.826 30.280 -0.454 19436 4402 1 14 . 1 1 58 58 ARG N N 58 120.321 120.321 120.639 -0.318 19436 4403 1 14 . 1 1 58 58 ARG HA H 58 3.922 3.922 4.071 -0.149 19436 4404 1 14 . 1 1 58 58 ARG C C 58 178.832 178.832 175.350 3.482 19436 4405 1 14 . 1 1 58 58 ARG CA C 58 58.846 58.846 55.696 3.150 19436 4406 1 14 . 1 1 58 58 ARG H H 58 8.420 8.420 8.284 0.136 19436 4407 1 14 . 1 1 59 59 LYS N N 59 118.447 118.447 118.685 -0.238 19436 4408 1 14 . 1 1 59 59 LYS HA H 59 3.681 3.681 4.793 -1.112 19436 4409 1 14 . 1 1 59 59 LYS C C 59 176.846 176.846 174.933 1.913 19436 4410 1 14 . 1 1 59 59 LYS CA C 59 57.540 57.540 55.959 1.581 19436 4411 1 14 . 1 1 59 59 LYS CB C 59 30.572 30.572 34.821 -4.249 19436 4412 1 14 . 1 1 59 59 LYS H H 59 8.436 8.436 7.754 0.682 19436 4413 1 14 . 1 1 60 60 LYS N N 60 117.663 117.663 118.369 -0.706 19436 4414 1 14 . 1 1 60 60 LYS HA H 60 3.817 3.817 4.834 -1.017 19436 4415 1 14 . 1 1 60 60 LYS C C 60 177.762 177.762 175.495 2.267 19436 4416 1 14 . 1 1 60 60 LYS CA C 60 59.207 59.207 55.184 4.023 19436 4417 1 14 . 1 1 60 60 LYS CB C 60 32.269 32.269 34.068 -1.799 19436 4418 1 14 . 1 1 60 60 LYS H H 60 6.904 6.904 8.259 -1.355 19436 4419 1 14 . 1 1 61 61 SER N N 61 110.383 110.383 114.979 -4.596 19436 4420 1 14 . 1 1 61 61 SER HA H 61 4.527 4.527 5.073 -0.546 19436 4421 1 14 . 1 1 61 61 SER C C 61 174.006 174.006 173.375 0.631 19436 4422 1 14 . 1 1 61 61 SER CA C 61 58.671 58.671 57.188 1.483 19436 4423 1 14 . 1 1 61 61 SER CB C 61 64.444 64.444 64.960 -0.516 19436 4424 1 14 . 1 1 61 61 SER H H 61 7.381 7.381 8.421 -1.040 19436 4425 1 14 . 1 1 62 62 GLU N N 62 121.734 121.734 124.437 -2.703 19436 4426 1 14 . 1 1 62 62 GLU HA H 62 3.681 3.681 4.691 -1.010 19436 4427 1 14 . 1 1 62 62 GLU C C 62 172.751 172.751 174.793 -2.042 19436 4428 1 14 . 1 1 62 62 GLU CA C 62 52.861 52.861 55.420 -2.559 19436 4429 1 14 . 1 1 62 62 GLU CB C 62 30.206 30.206 30.721 -0.515 19436 4430 1 14 . 1 1 62 62 GLU H H 62 7.625 7.625 9.386 -1.761 19436 4431 1 14 . 1 1 63 63 PRO HA H 63 4.267 4.267 5.122 -0.855 19436 4432 1 14 . 1 1 63 63 PRO C C 63 176.541 176.541 177.084 -0.543 19436 4433 1 14 . 1 1 63 63 PRO CA C 63 64.621 64.621 61.049 3.572 19436 4434 1 14 . 1 1 63 63 PRO CB C 63 31.452 31.452 35.489 -4.037 19436 4435 1 14 . 1 1 64 64 TRP N N 64 115.298 115.298 120.955 -5.657 19436 4436 1 14 . 1 1 64 64 TRP HA H 64 4.645 4.645 4.735 -0.090 19436 4437 1 14 . 1 1 64 64 TRP C C 64 176.530 176.530 176.692 -0.162 19436 4438 1 14 . 1 1 64 64 TRP CA C 64 56.604 56.604 57.904 -1.300 19436 4439 1 14 . 1 1 64 64 TRP CB C 64 28.026 28.026 31.320 -3.294 19436 4440 1 14 . 1 1 64 64 TRP H H 64 6.837 6.837 8.577 -1.740 19436 4441 1 14 . 1 1 65 65 LEU N N 65 125.040 125.040 126.446 -1.406 19436 4442 1 14 . 1 1 65 65 LEU HA H 65 4.149 4.149 4.411 -0.262 19436 4443 1 14 . 1 1 65 65 LEU C C 65 177.528 177.528 175.524 2.004 19436 4444 1 14 . 1 1 65 65 LEU CA C 65 56.277 56.277 55.517 0.760 19436 4445 1 14 . 1 1 65 65 LEU CB C 65 43.152 43.152 42.799 0.353 19436 4446 1 14 . 1 1 65 65 LEU H H 65 7.252 7.252 8.896 -1.644 19436 4447 1 14 . 1 1 66 66 ARG N N 66 128.225 128.225 116.793 11.432 19436 4448 1 14 . 1 1 66 66 ARG HA H 66 4.578 4.578 4.478 0.100 19436 4449 1 14 . 1 1 66 66 ARG C C 66 175.757 175.757 175.753 0.004 19436 4450 1 14 . 1 1 66 66 ARG CA C 66 55.105 55.105 54.591 0.514 19436 4451 1 14 . 1 1 66 66 ARG CB C 66 31.397 31.397 32.404 -1.007 19436 4452 1 14 . 1 1 66 66 ARG H H 66 8.892 8.892 7.914 0.978 19436 4453 1 14 . 1 1 67 67 LEU N N 67 127.896 127.896 120.913 6.983 19436 4454 1 14 . 1 1 67 67 LEU HA H 67 3.560 3.560 4.084 -0.524 19436 4455 1 14 . 1 1 67 67 LEU C C 67 175.383 175.383 175.912 -0.529 19436 4456 1 14 . 1 1 67 67 LEU CA C 67 54.595 54.595 54.419 0.176 19436 4457 1 14 . 1 1 67 67 LEU H H 67 8.328 8.328 8.360 -0.032 19436 4458 1 14 . 1 1 68 68 ASP HA H 68 4.719 4.719 4.564 0.155 19436 4459 1 14 . 1 1 68 68 ASP C C 68 174.373 174.373 175.723 -1.350 19436 4460 1 14 . 1 1 68 68 ASP CA C 68 52.936 52.936 55.736 -2.800 19436 4461 1 14 . 1 1 68 68 ASP CB C 68 41.363 41.363 40.853 0.510 19436 4462 1 14 . 1 1 69 69 MET N N 69 122.596 122.596 116.714 5.882 19436 4463 1 14 . 1 1 69 69 MET HA H 69 4.539 4.539 4.637 -0.098 19436 4464 1 14 . 1 1 69 69 MET C C 69 174.798 174.798 175.335 -0.537 19436 4465 1 14 . 1 1 69 69 MET CA C 69 53.657 53.657 53.708 -0.051 19436 4466 1 14 . 1 1 69 69 MET CB C 69 33.356 33.356 31.606 1.750 19436 4467 1 14 . 1 1 69 69 MET H H 69 8.777 8.777 7.969 0.808 19436 4468 1 14 . 1 1 70 70 SER N N 70 116.028 116.028 114.562 1.466 19436 4469 1 14 . 1 1 70 70 SER HA H 70 4.183 4.183 4.325 -0.142 19436 4470 1 14 . 1 1 70 70 SER C C 70 173.995 173.995 175.800 -1.805 19436 4471 1 14 . 1 1 70 70 SER CA C 70 58.683 58.683 59.427 -0.744 19436 4472 1 14 . 1 1 70 70 SER CB C 70 64.826 64.826 62.791 2.035 19436 4473 1 14 . 1 1 70 70 SER H H 70 8.179 8.179 7.747 0.432 19436 4474 1 14 . 1 1 71 71 ASP N N 71 121.658 121.658 123.937 -2.279 19436 4475 1 14 . 1 1 71 71 ASP HA H 71 3.788 3.788 4.239 -0.451 19436 4476 1 14 . 1 1 71 71 ASP C C 71 176.757 176.757 175.675 1.082 19436 4477 1 14 . 1 1 71 71 ASP CA C 71 57.426 57.426 54.073 3.353 19436 4478 1 14 . 1 1 71 71 ASP H H 71 8.789 8.789 8.989 -0.200 19436 4479 1 14 . 1 1 72 72 LYS N N 72 116.258 116.258 120.182 -3.924 19436 4480 1 14 . 1 1 72 72 LYS HA H 72 3.751 3.751 4.869 -1.118 19436 4481 1 14 . 1 1 72 72 LYS C C 72 178.882 178.882 174.543 4.339 19436 4482 1 14 . 1 1 72 72 LYS CA C 72 59.891 59.891 52.932 6.959 19436 4483 1 14 . 1 1 72 72 LYS CB C 72 32.195 32.195 32.780 -0.585 19436 4484 1 14 . 1 1 72 72 LYS H H 72 7.876 7.876 8.049 -0.173 19436 4485 1 14 . 1 1 73 73 ALA HA H 73 3.939 3.939 4.780 -0.841 19436 4486 1 14 . 1 1 73 73 ALA C C 73 181.112 181.112 177.391 3.721 19436 4487 1 14 . 1 1 73 73 ALA CA C 73 55.118 55.118 51.019 4.099 19436 4488 1 14 . 1 1 73 73 ALA CB C 73 17.847 17.847 19.798 -1.951 19436 4489 1 14 . 1 1 74 74 ILE N N 74 119.583 119.583 118.249 1.334 19436 4490 1 14 . 1 1 74 74 ILE HA H 74 3.477 3.477 4.246 -0.769 19436 4491 1 14 . 1 1 74 74 ILE C C 74 177.697 177.697 176.802 0.895 19436 4492 1 14 . 1 1 74 74 ILE CA C 74 66.112 66.112 62.035 4.077 19436 4493 1 14 . 1 1 74 74 ILE CB C 74 37.678 37.678 38.621 -0.943 19436 4494 1 14 . 1 1 74 74 ILE H H 74 8.119 8.119 8.193 -0.074 19436 4495 1 14 . 1 1 75 75 PHE N N 75 117.768 117.768 116.788 0.980 19436 4496 1 14 . 1 1 75 75 PHE HA H 75 4.431 4.431 4.825 -0.394 19436 4497 1 14 . 1 1 75 75 PHE C C 75 177.987 177.987 175.890 2.097 19436 4498 1 14 . 1 1 75 75 PHE CA C 75 56.968 56.968 55.815 1.153 19436 4499 1 14 . 1 1 75 75 PHE CB C 75 37.281 37.281 41.788 -4.507 19436 4500 1 14 . 1 1 75 75 PHE H H 75 8.553 8.553 8.046 0.507 19436 4501 1 14 . 1 1 76 76 ARG N N 76 117.370 117.370 120.915 -3.545 19436 4502 1 14 . 1 1 76 76 ARG HA H 76 4.059 4.059 3.998 0.061 19436 4503 1 14 . 1 1 76 76 ARG C C 76 177.520 177.520 178.184 -0.664 19436 4504 1 14 . 1 1 76 76 ARG CA C 76 58.690 58.690 59.881 -1.191 19436 4505 1 14 . 1 1 76 76 ARG CB C 76 30.417 30.417 29.839 0.578 19436 4506 1 14 . 1 1 76 76 ARG H H 76 7.532 7.532 8.852 -1.320 19436 4507 1 14 . 1 1 77 77 ARG N N 77 117.482 117.482 121.314 -3.832 19436 4508 1 14 . 1 1 77 77 ARG HA H 77 3.967 3.967 4.047 -0.080 19436 4509 1 14 . 1 1 77 77 ARG C C 77 176.168 176.168 178.138 -1.970 19436 4510 1 14 . 1 1 77 77 ARG CA C 77 57.472 57.472 59.321 -1.849 19436 4511 1 14 . 1 1 77 77 ARG CB C 77 31.746 31.746 29.688 2.058 19436 4512 1 14 . 1 1 77 77 ARG H H 77 7.222 7.222 7.936 -0.714 19436 4513 1 14 . 1 1 78 78 TYR N N 78 116.126 116.126 122.504 -6.378 19436 4514 1 14 . 1 1 78 78 TYR HA H 78 5.333 5.333 4.274 1.059 19436 4515 1 14 . 1 1 78 78 TYR C C 78 172.361 172.361 178.023 -5.662 19436 4516 1 14 . 1 1 78 78 TYR CB C 78 38.546 38.546 37.988 0.558 19436 4517 1 14 . 1 1 78 78 TYR H H 78 8.823 8.823 7.827 0.996 19436 4518 1 14 . 1 1 79 79 PRO HA H 79 4.441 4.441 3.940 0.501 19436 4519 1 14 . 1 1 79 79 PRO C C 79 178.491 178.491 179.567 -1.076 19436 4520 1 14 . 1 1 79 79 PRO CA C 79 64.854 64.854 66.195 -1.341 19436 4521 1 14 . 1 1 79 79 PRO CB C 79 31.694 31.694 31.130 0.564 19436 4522 1 14 . 1 1 80 80 HIS N N 80 115.604 115.604 116.991 -1.387 19436 4523 1 14 . 1 1 80 80 HIS HA H 80 4.549 4.549 4.225 0.324 19436 4524 1 14 . 1 1 80 80 HIS C C 80 176.202 176.202 177.890 -1.688 19436 4525 1 14 . 1 1 80 80 HIS CA C 80 58.597 58.597 59.654 -1.056 19436 4526 1 14 . 1 1 80 80 HIS CB C 80 29.685 29.685 29.702 -0.017 19436 4527 1 14 . 1 1 80 80 HIS H H 80 8.274 8.274 8.097 0.177 19436 4528 1 14 . 1 1 81 81 LEU N N 81 120.646 120.646 122.143 -1.497 19436 4529 1 14 . 1 1 81 81 LEU HA H 81 4.228 4.228 3.984 0.244 19436 4530 1 14 . 1 1 81 81 LEU C C 81 175.906 175.906 178.444 -2.538 19436 4531 1 14 . 1 1 81 81 LEU CA C 81 54.105 54.105 59.628 -5.523 19436 4532 1 14 . 1 1 81 81 LEU CB C 81 41.759 41.759 41.774 -0.015 19436 4533 1 14 . 1 1 81 81 LEU H H 81 7.609 7.609 8.353 -0.744 19436 4534 1 14 . 1 1 82 82 ARG N N 82 125.478 125.478 119.809 5.669 19436 4535 1 14 . 1 1 82 82 ARG C C 82 180.927 180.927 178.638 2.289 19436 4536 1 14 . 1 1 82 82 ARG H H 82 7.079 7.079 8.275 -1.196 19436 4537 1 15 . 1 1 2 2 PRO HA H 2 4.442 4.442 4.788 -0.346 19436 4538 1 15 . 1 1 2 2 PRO CA C 2 62.895 62.895 63.511 -0.616 19436 4539 1 15 . 1 1 2 2 PRO CB C 2 31.958 31.958 32.978 -1.020 19436 4540 1 15 . 1 1 3 3 SER N N 3 117.584 117.584 117.375 0.209 19436 4541 1 15 . 1 1 3 3 SER H H 3 8.434 8.434 8.405 0.029 19436 4542 1 15 . 1 1 4 4 PRO HA H 4 4.442 4.442 4.343 0.099 19436 4543 1 15 . 1 1 4 4 PRO C C 4 176.912 176.912 175.783 1.129 19436 4544 1 15 . 1 1 4 4 PRO CA C 4 63.325 63.325 62.716 0.609 19436 4545 1 15 . 1 1 4 4 PRO CB C 4 32.011 32.011 31.862 0.149 19436 4546 1 15 . 1 1 5 5 LEU N N 5 121.539 121.539 123.028 -1.489 19436 4547 1 15 . 1 1 5 5 LEU HA H 5 4.344 4.344 4.688 -0.344 19436 4548 1 15 . 1 1 5 5 LEU C C 5 177.549 177.549 176.281 1.268 19436 4549 1 15 . 1 1 5 5 LEU CA C 5 55.395 55.395 55.038 0.358 19436 4550 1 15 . 1 1 5 5 LEU CB C 5 42.317 42.317 42.692 -0.375 19436 4551 1 15 . 1 1 5 5 LEU H H 5 8.281 8.281 7.834 0.447 19436 4552 1 15 . 1 1 6 6 SER N N 6 116.435 116.435 115.581 0.854 19436 4553 1 15 . 1 1 6 6 SER HA H 6 4.464 4.464 4.777 -0.313 19436 4554 1 15 . 1 1 6 6 SER C C 6 174.630 174.630 172.779 1.851 19436 4555 1 15 . 1 1 6 6 SER CA C 6 58.262 58.262 57.654 0.608 19436 4556 1 15 . 1 1 6 6 SER CB C 6 63.883 63.883 64.748 -0.865 19436 4557 1 15 . 1 1 6 6 SER H H 6 8.250 8.250 8.513 -0.263 19436 4558 1 15 . 1 1 7 7 SER N N 7 117.774 117.774 117.945 -0.171 19436 4559 1 15 . 1 1 7 7 SER HA H 7 4.481 4.481 4.521 -0.040 19436 4560 1 15 . 1 1 7 7 SER C C 7 174.630 174.630 173.143 1.487 19436 4561 1 15 . 1 1 7 7 SER CA C 7 58.511 58.511 57.783 0.728 19436 4562 1 15 . 1 1 7 7 SER CB C 7 63.827 63.827 65.460 -1.633 19436 4563 1 15 . 1 1 7 7 SER H H 7 8.392 8.392 8.905 -0.513 19436 4564 1 15 . 1 1 8 8 GLU N N 8 122.440 122.440 119.750 2.690 19436 4565 1 15 . 1 1 8 8 GLU HA H 8 4.332 4.332 4.765 -0.433 19436 4566 1 15 . 1 1 8 8 GLU C C 8 176.591 176.591 175.138 1.453 19436 4567 1 15 . 1 1 8 8 GLU CA C 8 56.846 56.846 56.460 0.386 19436 4568 1 15 . 1 1 8 8 GLU CB C 8 30.125 30.125 30.244 -0.119 19436 4569 1 15 . 1 1 8 8 GLU H H 8 8.458 8.458 8.308 0.150 19436 4570 1 15 . 1 1 9 9 SER N N 9 116.179 116.179 119.050 -2.871 19436 4571 1 15 . 1 1 9 9 SER HA H 9 4.449 4.449 4.732 -0.283 19436 4572 1 15 . 1 1 9 9 SER C C 9 174.763 174.763 173.381 1.382 19436 4573 1 15 . 1 1 9 9 SER CA C 9 58.455 58.455 58.215 0.240 19436 4574 1 15 . 1 1 9 9 SER CB C 9 64.002 64.002 64.532 -0.530 19436 4575 1 15 . 1 1 9 9 SER H H 9 8.280 8.280 8.702 -0.422 19436 4576 1 15 . 1 1 10 10 GLU N N 10 122.989 122.989 125.783 -2.794 19436 4577 1 15 . 1 1 10 10 GLU HA H 10 4.212 4.212 4.514 -0.302 19436 4578 1 15 . 1 1 10 10 GLU C C 10 176.344 176.344 176.680 -0.336 19436 4579 1 15 . 1 1 10 10 GLU CA C 10 56.967 56.967 56.161 0.806 19436 4580 1 15 . 1 1 10 10 GLU CB C 10 30.176 30.176 31.493 -1.317 19436 4581 1 15 . 1 1 10 10 GLU H H 10 8.488 8.488 8.914 -0.426 19436 4582 1 15 . 1 1 29 29 ALA N N 29 126.204 126.204 123.588 2.616 19436 4583 1 15 . 1 1 29 29 ALA HA H 29 4.487 4.487 4.692 -0.205 19436 4584 1 15 . 1 1 29 29 ALA C C 29 176.100 176.100 175.481 0.619 19436 4585 1 15 . 1 1 29 29 ALA CA C 29 51.192 51.192 51.492 -0.300 19436 4586 1 15 . 1 1 29 29 ALA CB C 29 20.176 20.176 21.005 -0.829 19436 4587 1 15 . 1 1 29 29 ALA H H 29 8.570 8.570 8.281 0.289 19436 4588 1 15 . 1 1 30 30 ALA N N 30 128.202 128.202 128.532 -0.330 19436 4589 1 15 . 1 1 30 30 ALA HA H 30 4.303 4.303 5.041 -0.738 19436 4590 1 15 . 1 1 30 30 ALA C C 30 176.096 176.096 175.882 0.214 19436 4591 1 15 . 1 1 30 30 ALA CA C 30 51.956 51.956 51.318 0.638 19436 4592 1 15 . 1 1 30 30 ALA CB C 30 18.945 18.945 21.316 -2.371 19436 4593 1 15 . 1 1 30 30 ALA H H 30 8.665 8.665 8.381 0.284 19436 4594 1 15 . 1 1 31 31 LEU N N 31 120.119 120.119 120.494 -0.375 19436 4595 1 15 . 1 1 31 31 LEU HA H 31 4.897 4.897 4.514 0.383 19436 4596 1 15 . 1 1 31 31 LEU C C 31 178.865 178.865 175.995 2.870 19436 4597 1 15 . 1 1 31 31 LEU CA C 31 52.051 52.051 54.493 -2.442 19436 4598 1 15 . 1 1 31 31 LEU CB C 31 44.147 44.147 42.511 1.635 19436 4599 1 15 . 1 1 31 31 LEU H H 31 8.034 8.034 8.044 -0.010 19436 4600 1 15 . 1 1 32 32 HIS N N 32 122.302 122.302 119.831 2.471 19436 4601 1 15 . 1 1 32 32 HIS HA H 32 4.186 4.186 4.490 -0.304 19436 4602 1 15 . 1 1 32 32 HIS C C 32 177.524 177.524 173.711 3.813 19436 4603 1 15 . 1 1 32 32 HIS H H 32 8.573 8.573 8.364 0.209 19436 4604 1 15 . 1 1 33 33 ALA HA H 33 4.411 4.411 4.514 -0.103 19436 4605 1 15 . 1 1 33 33 ALA CA C 33 53.433 53.433 51.278 2.155 19436 4606 1 15 . 1 1 33 33 ALA CB C 33 20.342 20.342 19.720 0.622 19436 4607 1 15 . 1 1 34 34 GLU HA H 34 4.684 4.684 4.437 0.247 19436 4608 1 15 . 1 1 34 34 GLU CA C 34 54.841 54.841 56.480 -1.639 19436 4609 1 15 . 1 1 34 34 GLU CB C 34 33.102 33.102 30.413 2.689 19436 4610 1 15 . 1 1 35 35 GLY N N 35 108.193 108.193 111.421 -3.228 19436 4611 1 15 . 1 1 35 35 GLY H H 35 8.661 8.661 8.374 0.287 19436 4612 1 15 . 1 1 36 36 PRO HA H 36 4.278 4.278 4.618 -0.340 19436 4613 1 15 . 1 1 36 36 PRO C C 36 177.885 177.885 176.722 1.163 19436 4614 1 15 . 1 1 36 36 PRO CA C 36 64.598 64.598 62.873 1.725 19436 4615 1 15 . 1 1 36 36 PRO CB C 36 31.945 31.945 32.633 -0.688 19436 4616 1 15 . 1 1 37 37 LEU N N 37 117.378 117.378 120.828 -3.450 19436 4617 1 15 . 1 1 37 37 LEU HA H 37 4.256 4.256 4.332 -0.076 19436 4618 1 15 . 1 1 37 37 LEU C C 37 174.928 174.928 177.421 -2.493 19436 4619 1 15 . 1 1 37 37 LEU CA C 37 52.682 52.682 56.283 -3.601 19436 4620 1 15 . 1 1 37 37 LEU CB C 37 40.999 40.999 41.589 -0.590 19436 4621 1 15 . 1 1 37 37 LEU H H 37 8.557 8.557 8.333 0.224 19436 4622 1 15 . 1 1 38 38 ALA N N 38 120.501 120.501 119.394 1.107 19436 4623 1 15 . 1 1 38 38 ALA HA H 38 3.476 3.476 4.428 -0.952 19436 4624 1 15 . 1 1 38 38 ALA C C 38 178.760 178.760 176.531 2.229 19436 4625 1 15 . 1 1 38 38 ALA CA C 38 53.756 53.756 51.449 2.307 19436 4626 1 15 . 1 1 38 38 ALA CB C 38 17.949 17.949 19.933 -1.984 19436 4627 1 15 . 1 1 38 38 ALA H H 38 7.202 7.202 7.411 -0.209 19436 4628 1 15 . 1 1 39 39 GLY N N 39 108.963 108.963 109.216 -0.253 19436 4629 1 15 . 1 1 39 39 GLY C C 39 173.272 173.272 173.884 -0.612 19436 4630 1 15 . 1 1 39 39 GLY CA C 39 45.183 45.183 45.408 -0.225 19436 4631 1 15 . 1 1 39 39 GLY H H 39 8.942 8.942 8.425 0.517 19436 4632 1 15 . 1 1 40 40 LEU N N 40 120.080 120.080 123.519 -3.439 19436 4633 1 15 . 1 1 40 40 LEU HA H 40 4.830 4.830 4.358 0.472 19436 4634 1 15 . 1 1 40 40 LEU C C 40 174.422 174.422 176.063 -1.641 19436 4635 1 15 . 1 1 40 40 LEU CB C 40 41.282 41.282 41.892 -0.610 19436 4636 1 15 . 1 1 40 40 LEU H H 40 8.216 8.216 8.258 -0.042 19436 4637 1 15 . 1 1 41 41 PRO HA H 41 4.803 4.803 4.538 0.265 19436 4638 1 15 . 1 1 41 41 PRO CA C 41 61.528 61.528 63.413 -1.885 19436 4639 1 15 . 1 1 41 41 PRO CB C 41 31.384 31.384 31.779 -0.394 19436 4640 1 15 . 1 1 42 42 VAL N N 42 121.846 121.846 118.439 3.407 19436 4641 1 15 . 1 1 42 42 VAL HA H 42 3.510 3.510 4.318 -0.808 19436 4642 1 15 . 1 1 42 42 VAL CA C 42 65.888 65.888 62.109 3.779 19436 4643 1 15 . 1 1 42 42 VAL CB C 42 31.208 31.208 32.000 -0.792 19436 4644 1 15 . 1 1 42 42 VAL H H 42 7.784 7.784 7.931 -0.147 19436 4645 1 15 . 1 1 43 43 THR N N 43 109.158 109.158 116.286 -7.128 19436 4646 1 15 . 1 1 43 43 THR HA H 43 4.996 4.996 4.223 0.773 19436 4647 1 15 . 1 1 43 43 THR CA C 43 59.964 59.964 63.535 -3.571 19436 4648 1 15 . 1 1 43 43 THR CB C 43 12.133 12.133 69.156 -57.023 19436 4649 1 15 . 1 1 43 43 THR H H 43 8.911 8.911 8.300 0.611 19436 4650 1 15 . 1 1 44 44 ARG N N 44 120.175 120.175 116.082 4.093 19436 4651 1 15 . 1 1 44 44 ARG HA H 44 3.936 3.936 4.353 -0.417 19436 4652 1 15 . 1 1 44 44 ARG CA C 44 60.596 60.596 55.800 4.796 19436 4653 1 15 . 1 1 44 44 ARG CB C 44 29.617 29.617 30.689 -1.072 19436 4654 1 15 . 1 1 44 44 ARG H H 44 9.305 9.305 8.149 1.156 19436 4655 1 15 . 1 1 45 45 SER N N 45 114.367 114.367 117.999 -3.632 19436 4656 1 15 . 1 1 45 45 SER HA H 45 4.118 4.118 4.547 -0.429 19436 4657 1 15 . 1 1 45 45 SER CA C 45 62.355 62.355 57.855 4.500 19436 4658 1 15 . 1 1 45 45 SER CB C 45 62.355 62.355 64.475 -2.120 19436 4659 1 15 . 1 1 45 45 SER H H 45 8.192 8.192 7.547 0.645 19436 4660 1 15 . 1 1 46 46 ASP N N 46 120.511 120.511 126.522 -6.011 19436 4661 1 15 . 1 1 46 46 ASP HA H 46 4.396 4.396 4.627 -0.231 19436 4662 1 15 . 1 1 46 46 ASP C C 46 177.220 177.220 174.460 2.760 19436 4663 1 15 . 1 1 46 46 ASP CA C 46 58.113 58.113 53.444 4.669 19436 4664 1 15 . 1 1 46 46 ASP CB C 46 43.287 43.287 42.166 1.121 19436 4665 1 15 . 1 1 46 46 ASP H H 46 7.354 7.354 8.292 -0.938 19436 4666 1 15 . 1 1 47 47 ALA N N 47 120.606 120.606 121.477 -0.871 19436 4667 1 15 . 1 1 47 47 ALA HA H 47 3.736 3.736 4.382 -0.646 19436 4668 1 15 . 1 1 47 47 ALA C C 47 178.603 178.603 177.554 1.049 19436 4669 1 15 . 1 1 47 47 ALA CA C 47 54.879 54.879 52.528 2.351 19436 4670 1 15 . 1 1 47 47 ALA CB C 47 19.739 19.739 19.908 -0.169 19436 4671 1 15 . 1 1 47 47 ALA H H 47 7.838 7.838 8.370 -0.531 19436 4672 1 15 . 1 1 48 48 ARG N N 48 116.233 116.233 120.245 -4.012 19436 4673 1 15 . 1 1 48 48 ARG HA H 48 3.796 3.796 4.529 -0.733 19436 4674 1 15 . 1 1 48 48 ARG C C 48 177.903 177.903 176.053 1.850 19436 4675 1 15 . 1 1 48 48 ARG CA C 48 61.517 61.517 56.948 4.569 19436 4676 1 15 . 1 1 48 48 ARG CB C 48 30.351 30.351 31.424 -1.073 19436 4677 1 15 . 1 1 48 48 ARG H H 48 8.060 8.060 8.528 -0.468 19436 4678 1 15 . 1 1 49 49 VAL N N 49 119.026 119.026 118.522 0.504 19436 4679 1 15 . 1 1 49 49 VAL HA H 49 3.636 3.636 4.525 -0.889 19436 4680 1 15 . 1 1 49 49 VAL C C 49 177.817 177.817 174.090 3.727 19436 4681 1 15 . 1 1 49 49 VAL CA C 49 67.018 67.018 59.601 7.417 19436 4682 1 15 . 1 1 49 49 VAL CB C 49 31.821 31.821 31.344 0.477 19436 4683 1 15 . 1 1 49 49 VAL H H 49 7.413 7.413 7.731 -0.318 19436 4684 1 15 . 1 1 50 50 LEU HA H 50 4.113 4.113 4.379 -0.266 19436 4685 1 15 . 1 1 50 50 LEU C C 50 180.992 180.992 175.079 5.913 19436 4686 1 15 . 1 1 50 50 LEU CA C 50 58.382 58.382 53.490 4.892 19436 4687 1 15 . 1 1 50 50 LEU CB C 50 41.668 41.668 41.571 0.097 19436 4688 1 15 . 1 1 51 51 ILE HA H 51 3.698 3.698 4.311 -0.613 19436 4689 1 15 . 1 1 51 51 ILE C C 51 178.708 178.708 175.018 3.690 19436 4690 1 15 . 1 1 51 51 ILE CA C 51 65.868 65.868 61.403 4.465 19436 4691 1 15 . 1 1 51 51 ILE CB C 51 38.755 38.755 37.834 0.921 19436 4692 1 15 . 1 1 52 52 PHE N N 52 123.370 123.370 121.857 1.513 19436 4693 1 15 . 1 1 52 52 PHE HA H 52 4.174 4.174 4.612 -0.438 19436 4694 1 15 . 1 1 52 52 PHE C C 52 176.998 176.998 175.383 1.615 19436 4695 1 15 . 1 1 52 52 PHE CA C 52 62.566 62.566 57.981 4.585 19436 4696 1 15 . 1 1 52 52 PHE CB C 52 39.295 39.295 39.209 0.086 19436 4697 1 15 . 1 1 52 52 PHE H H 52 8.748 8.748 8.695 0.053 19436 4698 1 15 . 1 1 53 53 ASN N N 53 117.944 117.944 119.325 -1.381 19436 4699 1 15 . 1 1 53 53 ASN HA H 53 4.478 4.478 4.921 -0.443 19436 4700 1 15 . 1 1 53 53 ASN C C 53 178.706 178.706 173.855 4.851 19436 4701 1 15 . 1 1 53 53 ASN CA C 53 56.027 56.027 53.127 2.900 19436 4702 1 15 . 1 1 53 53 ASN CB C 53 37.883 37.883 39.168 -1.285 19436 4703 1 15 . 1 1 53 53 ASN H H 53 8.990 8.990 8.148 0.842 19436 4704 1 15 . 1 1 54 54 GLU N N 54 121.168 121.168 120.367 0.801 19436 4705 1 15 . 1 1 54 54 GLU HA H 54 4.123 4.123 4.636 -0.513 19436 4706 1 15 . 1 1 54 54 GLU C C 54 177.753 177.753 175.230 2.523 19436 4707 1 15 . 1 1 54 54 GLU CA C 54 59.415 59.415 56.061 3.354 19436 4708 1 15 . 1 1 54 54 GLU CB C 54 30.146 30.146 30.526 -0.380 19436 4709 1 15 . 1 1 54 54 GLU H H 54 8.177 8.177 8.171 0.006 19436 4710 1 15 . 1 1 55 55 TRP N N 55 122.549 122.549 125.289 -2.740 19436 4711 1 15 . 1 1 55 55 TRP HA H 55 4.018 4.018 4.852 -0.834 19436 4712 1 15 . 1 1 55 55 TRP C C 55 176.647 176.647 176.007 0.640 19436 4713 1 15 . 1 1 55 55 TRP CA C 55 61.743 61.743 57.859 3.884 19436 4714 1 15 . 1 1 55 55 TRP CB C 55 27.960 27.960 30.384 -2.425 19436 4715 1 15 . 1 1 55 55 TRP H H 55 8.160 8.160 8.395 -0.235 19436 4716 1 15 . 1 1 56 56 GLU N N 56 117.397 117.397 121.062 -3.665 19436 4717 1 15 . 1 1 56 56 GLU HA H 56 2.962 2.962 4.669 -1.707 19436 4718 1 15 . 1 1 56 56 GLU C C 56 178.417 178.417 174.135 4.282 19436 4719 1 15 . 1 1 56 56 GLU CA C 56 59.739 59.739 55.409 4.330 19436 4720 1 15 . 1 1 56 56 GLU CB C 56 29.601 29.601 30.509 -0.908 19436 4721 1 15 . 1 1 56 56 GLU H H 56 8.558 8.558 8.153 0.405 19436 4722 1 15 . 1 1 57 57 GLU HA H 57 4.049 4.049 4.561 -0.512 19436 4723 1 15 . 1 1 57 57 GLU C C 57 179.462 179.462 176.367 3.095 19436 4724 1 15 . 1 1 57 57 GLU CA C 57 58.264 58.264 56.005 2.259 19436 4725 1 15 . 1 1 57 57 GLU CB C 57 29.826 29.826 28.509 1.317 19436 4726 1 15 . 1 1 58 58 ARG N N 58 120.321 120.321 122.155 -1.834 19436 4727 1 15 . 1 1 58 58 ARG HA H 58 3.922 3.922 4.012 -0.090 19436 4728 1 15 . 1 1 58 58 ARG C C 58 178.832 178.832 174.055 4.777 19436 4729 1 15 . 1 1 58 58 ARG CA C 58 58.846 58.846 55.401 3.445 19436 4730 1 15 . 1 1 58 58 ARG H H 58 8.420 8.420 7.991 0.429 19436 4731 1 15 . 1 1 59 59 LYS N N 59 118.447 118.447 119.523 -1.076 19436 4732 1 15 . 1 1 59 59 LYS HA H 59 3.681 3.681 4.634 -0.953 19436 4733 1 15 . 1 1 59 59 LYS C C 59 176.846 176.846 174.727 2.119 19436 4734 1 15 . 1 1 59 59 LYS CA C 59 57.540 57.540 56.298 1.242 19436 4735 1 15 . 1 1 59 59 LYS CB C 59 30.572 30.572 34.525 -3.953 19436 4736 1 15 . 1 1 59 59 LYS H H 59 8.436 8.436 8.208 0.228 19436 4737 1 15 . 1 1 60 60 LYS N N 60 117.663 117.663 121.455 -3.792 19436 4738 1 15 . 1 1 60 60 LYS HA H 60 3.817 3.817 4.809 -0.992 19436 4739 1 15 . 1 1 60 60 LYS C C 60 177.762 177.762 176.006 1.756 19436 4740 1 15 . 1 1 60 60 LYS CA C 60 59.207 59.207 55.317 3.890 19436 4741 1 15 . 1 1 60 60 LYS CB C 60 32.269 32.269 35.159 -2.890 19436 4742 1 15 . 1 1 60 60 LYS H H 60 6.904 6.904 8.531 -1.627 19436 4743 1 15 . 1 1 61 61 SER N N 61 110.383 110.383 116.761 -6.378 19436 4744 1 15 . 1 1 61 61 SER HA H 61 4.527 4.527 5.096 -0.569 19436 4745 1 15 . 1 1 61 61 SER C C 61 174.006 174.006 172.859 1.147 19436 4746 1 15 . 1 1 61 61 SER CA C 61 58.671 58.671 57.199 1.472 19436 4747 1 15 . 1 1 61 61 SER CB C 61 64.444 64.444 65.555 -1.111 19436 4748 1 15 . 1 1 61 61 SER H H 61 7.381 7.381 8.497 -1.116 19436 4749 1 15 . 1 1 62 62 GLU N N 62 121.734 121.734 124.218 -2.484 19436 4750 1 15 . 1 1 62 62 GLU HA H 62 3.681 3.681 4.707 -1.026 19436 4751 1 15 . 1 1 62 62 GLU C C 62 172.751 172.751 174.804 -2.053 19436 4752 1 15 . 1 1 62 62 GLU CA C 62 52.861 52.861 55.439 -2.578 19436 4753 1 15 . 1 1 62 62 GLU CB C 62 30.206 30.206 30.674 -0.468 19436 4754 1 15 . 1 1 62 62 GLU H H 62 7.625 7.625 9.382 -1.757 19436 4755 1 15 . 1 1 63 63 PRO HA H 63 4.267 4.267 5.140 -0.873 19436 4756 1 15 . 1 1 63 63 PRO C C 63 176.541 176.541 177.082 -0.541 19436 4757 1 15 . 1 1 63 63 PRO CA C 63 64.621 64.621 61.060 3.561 19436 4758 1 15 . 1 1 63 63 PRO CB C 63 31.452 31.452 35.492 -4.040 19436 4759 1 15 . 1 1 64 64 TRP N N 64 115.298 115.298 120.881 -5.583 19436 4760 1 15 . 1 1 64 64 TRP HA H 64 4.645 4.645 4.744 -0.099 19436 4761 1 15 . 1 1 64 64 TRP C C 64 176.530 176.530 176.639 -0.109 19436 4762 1 15 . 1 1 64 64 TRP CA C 64 56.604 56.604 57.833 -1.229 19436 4763 1 15 . 1 1 64 64 TRP CB C 64 28.026 28.026 31.389 -3.362 19436 4764 1 15 . 1 1 64 64 TRP H H 64 6.837 6.837 8.564 -1.727 19436 4765 1 15 . 1 1 65 65 LEU N N 65 125.040 125.040 126.270 -1.230 19436 4766 1 15 . 1 1 65 65 LEU HA H 65 4.149 4.149 4.426 -0.277 19436 4767 1 15 . 1 1 65 65 LEU C C 65 177.528 177.528 176.008 1.520 19436 4768 1 15 . 1 1 65 65 LEU CA C 65 56.277 56.277 55.626 0.651 19436 4769 1 15 . 1 1 65 65 LEU CB C 65 43.152 43.152 42.875 0.277 19436 4770 1 15 . 1 1 65 65 LEU H H 65 7.252 7.252 8.858 -1.606 19436 4771 1 15 . 1 1 66 66 ARG N N 66 128.225 128.225 116.825 11.400 19436 4772 1 15 . 1 1 66 66 ARG HA H 66 4.578 4.578 4.509 0.069 19436 4773 1 15 . 1 1 66 66 ARG C C 66 175.757 175.757 175.705 0.052 19436 4774 1 15 . 1 1 66 66 ARG CA C 66 55.105 55.105 54.712 0.393 19436 4775 1 15 . 1 1 66 66 ARG CB C 66 31.397 31.397 33.476 -2.079 19436 4776 1 15 . 1 1 66 66 ARG H H 66 8.892 8.892 7.940 0.952 19436 4777 1 15 . 1 1 67 67 LEU N N 67 127.896 127.896 121.537 6.359 19436 4778 1 15 . 1 1 67 67 LEU HA H 67 3.560 3.560 4.098 -0.538 19436 4779 1 15 . 1 1 67 67 LEU C C 67 175.383 175.383 175.630 -0.247 19436 4780 1 15 . 1 1 67 67 LEU CA C 67 54.595 54.595 54.558 0.037 19436 4781 1 15 . 1 1 67 67 LEU H H 67 8.328 8.328 8.329 -0.001 19436 4782 1 15 . 1 1 68 68 ASP HA H 68 4.719 4.719 4.567 0.152 19436 4783 1 15 . 1 1 68 68 ASP C C 68 174.373 174.373 175.732 -1.359 19436 4784 1 15 . 1 1 68 68 ASP CA C 68 52.936 52.936 55.743 -2.808 19436 4785 1 15 . 1 1 68 68 ASP CB C 68 41.363 41.363 40.853 0.510 19436 4786 1 15 . 1 1 69 69 MET N N 69 122.596 122.596 116.699 5.897 19436 4787 1 15 . 1 1 69 69 MET HA H 69 4.539 4.539 4.624 -0.085 19436 4788 1 15 . 1 1 69 69 MET C C 69 174.798 174.798 175.359 -0.561 19436 4789 1 15 . 1 1 69 69 MET CA C 69 53.657 53.657 53.779 -0.122 19436 4790 1 15 . 1 1 69 69 MET CB C 69 33.356 33.356 31.638 1.718 19436 4791 1 15 . 1 1 69 69 MET H H 69 8.777 8.777 7.990 0.787 19436 4792 1 15 . 1 1 70 70 SER N N 70 116.028 116.028 114.520 1.508 19436 4793 1 15 . 1 1 70 70 SER HA H 70 4.183 4.183 4.332 -0.149 19436 4794 1 15 . 1 1 70 70 SER C C 70 173.995 173.995 175.798 -1.803 19436 4795 1 15 . 1 1 70 70 SER CA C 70 58.683 58.683 59.404 -0.721 19436 4796 1 15 . 1 1 70 70 SER CB C 70 64.826 64.826 62.806 2.020 19436 4797 1 15 . 1 1 70 70 SER H H 70 8.179 8.179 7.679 0.500 19436 4798 1 15 . 1 1 71 71 ASP N N 71 121.658 121.658 123.938 -2.280 19436 4799 1 15 . 1 1 71 71 ASP HA H 71 3.788 3.788 4.234 -0.446 19436 4800 1 15 . 1 1 71 71 ASP C C 71 176.757 176.757 175.676 1.081 19436 4801 1 15 . 1 1 71 71 ASP CA C 71 57.426 57.426 54.074 3.352 19436 4802 1 15 . 1 1 71 71 ASP H H 71 8.789 8.789 9.017 -0.228 19436 4803 1 15 . 1 1 72 72 LYS N N 72 116.258 116.258 120.166 -3.908 19436 4804 1 15 . 1 1 72 72 LYS HA H 72 3.751 3.751 4.842 -1.091 19436 4805 1 15 . 1 1 72 72 LYS C C 72 178.882 178.882 174.508 4.374 19436 4806 1 15 . 1 1 72 72 LYS CA C 72 59.891 59.891 52.926 6.965 19436 4807 1 15 . 1 1 72 72 LYS CB C 72 32.195 32.195 32.781 -0.586 19436 4808 1 15 . 1 1 72 72 LYS H H 72 7.876 7.876 8.041 -0.165 19436 4809 1 15 . 1 1 73 73 ALA HA H 73 3.939 3.939 4.773 -0.834 19436 4810 1 15 . 1 1 73 73 ALA C C 73 181.112 181.112 177.273 3.839 19436 4811 1 15 . 1 1 73 73 ALA CA C 73 55.118 55.118 50.972 4.146 19436 4812 1 15 . 1 1 73 73 ALA CB C 73 17.847 17.847 19.859 -2.012 19436 4813 1 15 . 1 1 74 74 ILE N N 74 119.583 119.583 118.437 1.146 19436 4814 1 15 . 1 1 74 74 ILE HA H 74 3.477 3.477 4.244 -0.767 19436 4815 1 15 . 1 1 74 74 ILE C C 74 177.697 177.697 176.487 1.210 19436 4816 1 15 . 1 1 74 74 ILE CA C 74 66.112 66.112 62.400 3.712 19436 4817 1 15 . 1 1 74 74 ILE CB C 74 37.678 37.678 38.706 -1.028 19436 4818 1 15 . 1 1 74 74 ILE H H 74 8.119 8.119 8.238 -0.119 19436 4819 1 15 . 1 1 75 75 PHE N N 75 117.768 117.768 115.197 2.571 19436 4820 1 15 . 1 1 75 75 PHE HA H 75 4.431 4.431 4.746 -0.315 19436 4821 1 15 . 1 1 75 75 PHE C C 75 177.987 177.987 176.076 1.911 19436 4822 1 15 . 1 1 75 75 PHE CA C 75 56.968 56.968 54.969 1.999 19436 4823 1 15 . 1 1 75 75 PHE CB C 75 37.281 37.281 42.241 -4.960 19436 4824 1 15 . 1 1 75 75 PHE H H 75 8.553 8.553 8.152 0.401 19436 4825 1 15 . 1 1 76 76 ARG N N 76 117.370 117.370 122.280 -4.910 19436 4826 1 15 . 1 1 76 76 ARG HA H 76 4.059 4.059 3.938 0.121 19436 4827 1 15 . 1 1 76 76 ARG C C 76 177.520 177.520 177.903 -0.383 19436 4828 1 15 . 1 1 76 76 ARG CA C 76 58.690 58.690 60.513 -1.823 19436 4829 1 15 . 1 1 76 76 ARG CB C 76 30.417 30.417 30.087 0.330 19436 4830 1 15 . 1 1 76 76 ARG H H 76 7.532 7.532 8.793 -1.261 19436 4831 1 15 . 1 1 77 77 ARG N N 77 117.482 117.482 118.397 -0.915 19436 4832 1 15 . 1 1 77 77 ARG HA H 77 3.967 3.967 4.034 -0.067 19436 4833 1 15 . 1 1 77 77 ARG C C 77 176.168 176.168 178.197 -2.029 19436 4834 1 15 . 1 1 77 77 ARG CA C 77 57.472 57.472 59.251 -1.778 19436 4835 1 15 . 1 1 77 77 ARG CB C 77 31.746 31.746 29.613 2.133 19436 4836 1 15 . 1 1 77 77 ARG H H 77 7.222 7.222 8.062 -0.840 19436 4837 1 15 . 1 1 78 78 TYR N N 78 116.126 116.126 122.107 -5.981 19436 4838 1 15 . 1 1 78 78 TYR HA H 78 5.333 5.333 4.250 1.083 19436 4839 1 15 . 1 1 78 78 TYR C C 78 172.361 172.361 178.088 -5.727 19436 4840 1 15 . 1 1 78 78 TYR CB C 78 38.546 38.546 38.021 0.525 19436 4841 1 15 . 1 1 78 78 TYR H H 78 8.823 8.823 7.801 1.022 19436 4842 1 15 . 1 1 79 79 PRO HA H 79 4.441 4.441 3.981 0.460 19436 4843 1 15 . 1 1 79 79 PRO C C 79 178.491 178.491 179.549 -1.058 19436 4844 1 15 . 1 1 79 79 PRO CA C 79 64.854 64.854 66.180 -1.326 19436 4845 1 15 . 1 1 79 79 PRO CB C 79 31.694 31.694 31.136 0.558 19436 4846 1 15 . 1 1 80 80 HIS N N 80 115.604 115.604 116.987 -1.383 19436 4847 1 15 . 1 1 80 80 HIS HA H 80 4.549 4.549 4.233 0.316 19436 4848 1 15 . 1 1 80 80 HIS C C 80 176.202 176.202 177.870 -1.668 19436 4849 1 15 . 1 1 80 80 HIS CA C 80 58.597 58.597 59.631 -1.034 19436 4850 1 15 . 1 1 80 80 HIS CB C 80 29.685 29.685 29.754 -0.069 19436 4851 1 15 . 1 1 80 80 HIS H H 80 8.274 8.274 8.034 0.240 19436 4852 1 15 . 1 1 81 81 LEU N N 81 120.646 120.646 122.217 -1.571 19436 4853 1 15 . 1 1 81 81 LEU HA H 81 4.228 4.228 4.022 0.206 19436 4854 1 15 . 1 1 81 81 LEU C C 81 175.906 175.906 178.418 -2.512 19436 4855 1 15 . 1 1 81 81 LEU CA C 81 54.105 54.105 59.583 -5.478 19436 4856 1 15 . 1 1 81 81 LEU CB C 81 41.759 41.759 41.772 -0.013 19436 4857 1 15 . 1 1 81 81 LEU H H 81 7.609 7.609 8.516 -0.907 19436 4858 1 15 . 1 1 82 82 ARG N N 82 125.478 125.478 119.937 5.541 19436 4859 1 15 . 1 1 82 82 ARG C C 82 180.927 180.927 178.626 2.301 19436 4860 1 15 . 1 1 82 82 ARG H H 82 7.079 7.079 8.252 -1.173 19436 4861 1 16 . 1 1 2 2 PRO HA H 2 4.442 4.442 5.368 -0.926 19436 4862 1 16 . 1 1 2 2 PRO CA C 2 62.895 62.895 62.801 0.094 19436 4863 1 16 . 1 1 2 2 PRO CB C 2 31.958 31.958 34.042 -2.084 19436 4864 1 16 . 1 1 3 3 SER N N 3 117.584 117.584 116.611 0.973 19436 4865 1 16 . 1 1 3 3 SER H H 3 8.434 8.434 9.064 -0.630 19436 4866 1 16 . 1 1 4 4 PRO HA H 4 4.442 4.442 5.296 -0.854 19436 4867 1 16 . 1 1 4 4 PRO C C 4 176.912 176.912 176.546 0.366 19436 4868 1 16 . 1 1 4 4 PRO CA C 4 63.325 63.325 62.381 0.944 19436 4869 1 16 . 1 1 4 4 PRO CB C 4 32.011 32.011 34.263 -2.252 19436 4870 1 16 . 1 1 5 5 LEU N N 5 121.539 121.539 119.658 1.881 19436 4871 1 16 . 1 1 5 5 LEU HA H 5 4.344 4.344 4.997 -0.653 19436 4872 1 16 . 1 1 5 5 LEU C C 5 177.549 177.549 174.880 2.669 19436 4873 1 16 . 1 1 5 5 LEU CA C 5 55.395 55.395 54.191 1.204 19436 4874 1 16 . 1 1 5 5 LEU CB C 5 42.317 42.317 44.040 -1.723 19436 4875 1 16 . 1 1 5 5 LEU H H 5 8.281 8.281 8.737 -0.456 19436 4876 1 16 . 1 1 6 6 SER N N 6 116.435 116.435 116.254 0.181 19436 4877 1 16 . 1 1 6 6 SER HA H 6 4.464 4.464 4.760 -0.296 19436 4878 1 16 . 1 1 6 6 SER C C 6 174.630 174.630 172.845 1.785 19436 4879 1 16 . 1 1 6 6 SER CA C 6 58.262 58.262 57.554 0.708 19436 4880 1 16 . 1 1 6 6 SER CB C 6 63.883 63.883 65.733 -1.850 19436 4881 1 16 . 1 1 6 6 SER H H 6 8.250 8.250 9.560 -1.310 19436 4882 1 16 . 1 1 7 7 SER N N 7 117.774 117.774 116.661 1.113 19436 4883 1 16 . 1 1 7 7 SER HA H 7 4.481 4.481 4.801 -0.320 19436 4884 1 16 . 1 1 7 7 SER C C 7 174.630 174.630 172.136 2.494 19436 4885 1 16 . 1 1 7 7 SER CA C 7 58.511 58.511 57.201 1.310 19436 4886 1 16 . 1 1 7 7 SER CB C 7 63.827 63.827 66.156 -2.329 19436 4887 1 16 . 1 1 7 7 SER H H 7 8.392 8.392 8.164 0.228 19436 4888 1 16 . 1 1 8 8 GLU N N 8 122.440 122.440 120.219 2.221 19436 4889 1 16 . 1 1 8 8 GLU HA H 8 4.332 4.332 4.682 -0.350 19436 4890 1 16 . 1 1 8 8 GLU C C 8 176.591 176.591 174.830 1.761 19436 4891 1 16 . 1 1 8 8 GLU CA C 8 56.846 56.846 55.888 0.958 19436 4892 1 16 . 1 1 8 8 GLU CB C 8 30.125 30.125 31.654 -1.529 19436 4893 1 16 . 1 1 8 8 GLU H H 8 8.458 8.458 9.460 -1.002 19436 4894 1 16 . 1 1 9 9 SER N N 9 116.179 116.179 117.472 -1.293 19436 4895 1 16 . 1 1 9 9 SER HA H 9 4.449 4.449 4.613 -0.164 19436 4896 1 16 . 1 1 9 9 SER C C 9 174.763 174.763 172.164 2.599 19436 4897 1 16 . 1 1 9 9 SER CA C 9 58.455 58.455 57.369 1.086 19436 4898 1 16 . 1 1 9 9 SER CB C 9 64.002 64.002 64.751 -0.749 19436 4899 1 16 . 1 1 9 9 SER H H 9 8.280 8.280 8.130 0.150 19436 4900 1 16 . 1 1 10 10 GLU N N 10 122.989 122.989 119.607 3.382 19436 4901 1 16 . 1 1 10 10 GLU HA H 10 4.212 4.212 4.445 -0.233 19436 4902 1 16 . 1 1 10 10 GLU C C 10 176.344 176.344 175.743 0.601 19436 4903 1 16 . 1 1 10 10 GLU CA C 10 56.967 56.967 56.124 0.843 19436 4904 1 16 . 1 1 10 10 GLU CB C 10 30.176 30.176 30.572 -0.396 19436 4905 1 16 . 1 1 10 10 GLU H H 10 8.488 8.488 8.150 0.338 19436 4906 1 16 . 1 1 29 29 ALA N N 29 126.204 126.204 124.105 2.099 19436 4907 1 16 . 1 1 29 29 ALA HA H 29 4.487 4.487 4.508 -0.021 19436 4908 1 16 . 1 1 29 29 ALA C C 29 176.100 176.100 175.264 0.836 19436 4909 1 16 . 1 1 29 29 ALA CA C 29 51.192 51.192 51.369 -0.177 19436 4910 1 16 . 1 1 29 29 ALA CB C 29 20.176 20.176 21.226 -1.050 19436 4911 1 16 . 1 1 29 29 ALA H H 29 8.570 8.570 8.227 0.343 19436 4912 1 16 . 1 1 30 30 ALA N N 30 128.202 128.202 126.212 1.990 19436 4913 1 16 . 1 1 30 30 ALA HA H 30 4.303 4.303 4.943 -0.640 19436 4914 1 16 . 1 1 30 30 ALA C C 30 176.096 176.096 175.361 0.735 19436 4915 1 16 . 1 1 30 30 ALA CA C 30 51.956 51.956 51.154 0.802 19436 4916 1 16 . 1 1 30 30 ALA CB C 30 18.945 18.945 21.273 -2.328 19436 4917 1 16 . 1 1 30 30 ALA H H 30 8.665 8.665 7.817 0.848 19436 4918 1 16 . 1 1 31 31 LEU N N 31 120.119 120.119 121.292 -1.173 19436 4919 1 16 . 1 1 31 31 LEU HA H 31 4.897 4.897 4.961 -0.064 19436 4920 1 16 . 1 1 31 31 LEU C C 31 178.865 178.865 176.516 2.349 19436 4921 1 16 . 1 1 31 31 LEU CA C 31 52.051 52.051 54.555 -2.504 19436 4922 1 16 . 1 1 31 31 LEU CB C 31 44.147 44.147 44.516 -0.369 19436 4923 1 16 . 1 1 31 31 LEU H H 31 8.034 8.034 8.960 -0.926 19436 4924 1 16 . 1 1 32 32 HIS N N 32 122.302 122.302 119.539 2.763 19436 4925 1 16 . 1 1 32 32 HIS HA H 32 4.186 4.186 4.833 -0.647 19436 4926 1 16 . 1 1 32 32 HIS C C 32 177.524 177.524 173.749 3.775 19436 4927 1 16 . 1 1 32 32 HIS H H 32 8.573 8.573 9.379 -0.806 19436 4928 1 16 . 1 1 33 33 ALA HA H 33 4.411 4.411 5.011 -0.600 19436 4929 1 16 . 1 1 33 33 ALA CA C 33 53.433 53.433 51.362 2.071 19436 4930 1 16 . 1 1 33 33 ALA CB C 33 20.342 20.342 19.455 0.887 19436 4931 1 16 . 1 1 34 34 GLU HA H 34 4.684 4.684 4.654 0.030 19436 4932 1 16 . 1 1 34 34 GLU CA C 34 54.841 54.841 56.377 -1.536 19436 4933 1 16 . 1 1 34 34 GLU CB C 34 33.102 33.102 30.731 2.371 19436 4934 1 16 . 1 1 35 35 GLY N N 35 108.193 108.193 108.116 0.077 19436 4935 1 16 . 1 1 35 35 GLY H H 35 8.661 8.661 8.446 0.215 19436 4936 1 16 . 1 1 36 36 PRO HA H 36 4.278 4.278 4.482 -0.204 19436 4937 1 16 . 1 1 36 36 PRO C C 36 177.885 177.885 176.413 1.472 19436 4938 1 16 . 1 1 36 36 PRO CA C 36 64.598 64.598 62.832 1.766 19436 4939 1 16 . 1 1 36 36 PRO CB C 36 31.945 31.945 32.992 -1.047 19436 4940 1 16 . 1 1 37 37 LEU N N 37 117.378 117.378 119.037 -1.659 19436 4941 1 16 . 1 1 37 37 LEU HA H 37 4.256 4.256 4.637 -0.381 19436 4942 1 16 . 1 1 37 37 LEU C C 37 174.928 174.928 176.635 -1.707 19436 4943 1 16 . 1 1 37 37 LEU CA C 37 52.682 52.682 54.579 -1.897 19436 4944 1 16 . 1 1 37 37 LEU CB C 37 40.999 40.999 42.569 -1.570 19436 4945 1 16 . 1 1 37 37 LEU H H 37 8.557 8.557 8.033 0.524 19436 4946 1 16 . 1 1 38 38 ALA N N 38 120.501 120.501 124.182 -3.681 19436 4947 1 16 . 1 1 38 38 ALA HA H 38 3.476 3.476 4.404 -0.928 19436 4948 1 16 . 1 1 38 38 ALA C C 38 178.760 178.760 177.153 1.607 19436 4949 1 16 . 1 1 38 38 ALA CA C 38 53.756 53.756 52.166 1.590 19436 4950 1 16 . 1 1 38 38 ALA CB C 38 17.949 17.949 19.330 -1.381 19436 4951 1 16 . 1 1 38 38 ALA H H 38 7.202 7.202 7.809 -0.607 19436 4952 1 16 . 1 1 39 39 GLY N N 39 108.963 108.963 112.167 -3.204 19436 4953 1 16 . 1 1 39 39 GLY C C 39 173.272 173.272 172.776 0.496 19436 4954 1 16 . 1 1 39 39 GLY CA C 39 45.183 45.183 44.980 0.203 19436 4955 1 16 . 1 1 39 39 GLY H H 39 8.942 8.942 8.474 0.468 19436 4956 1 16 . 1 1 40 40 LEU N N 40 120.080 120.080 124.705 -4.625 19436 4957 1 16 . 1 1 40 40 LEU HA H 40 4.830 4.830 4.621 0.209 19436 4958 1 16 . 1 1 40 40 LEU C C 40 174.422 174.422 174.471 -0.049 19436 4959 1 16 . 1 1 40 40 LEU CB C 40 41.282 41.282 43.650 -2.368 19436 4960 1 16 . 1 1 40 40 LEU H H 40 8.216 8.216 8.286 -0.070 19436 4961 1 16 . 1 1 41 41 PRO HA H 41 4.803 4.803 4.667 0.136 19436 4962 1 16 . 1 1 41 41 PRO CA C 41 61.528 61.528 63.597 -2.069 19436 4963 1 16 . 1 1 41 41 PRO CB C 41 31.384 31.384 31.794 -0.410 19436 4964 1 16 . 1 1 42 42 VAL N N 42 121.846 121.846 124.202 -2.356 19436 4965 1 16 . 1 1 42 42 VAL HA H 42 3.510 3.510 4.316 -0.806 19436 4966 1 16 . 1 1 42 42 VAL CA C 42 65.888 65.888 61.736 4.152 19436 4967 1 16 . 1 1 42 42 VAL CB C 42 31.208 31.208 32.476 -1.268 19436 4968 1 16 . 1 1 42 42 VAL H H 42 7.784 7.784 8.103 -0.319 19436 4969 1 16 . 1 1 43 43 THR N N 43 109.158 109.158 117.361 -8.203 19436 4970 1 16 . 1 1 43 43 THR HA H 43 4.996 4.996 4.221 0.775 19436 4971 1 16 . 1 1 43 43 THR CA C 43 59.964 59.964 62.951 -2.987 19436 4972 1 16 . 1 1 43 43 THR CB C 43 12.133 12.133 67.296 -55.163 19436 4973 1 16 . 1 1 43 43 THR H H 43 8.911 8.911 8.392 0.519 19436 4974 1 16 . 1 1 44 44 ARG N N 44 120.175 120.175 115.972 4.203 19436 4975 1 16 . 1 1 44 44 ARG HA H 44 3.936 3.936 3.916 0.020 19436 4976 1 16 . 1 1 44 44 ARG CA C 44 60.596 60.596 56.772 3.824 19436 4977 1 16 . 1 1 44 44 ARG CB C 44 29.617 29.617 28.787 0.830 19436 4978 1 16 . 1 1 44 44 ARG H H 44 9.305 9.305 8.189 1.116 19436 4979 1 16 . 1 1 45 45 SER N N 45 114.367 114.367 113.925 0.442 19436 4980 1 16 . 1 1 45 45 SER HA H 45 4.118 4.118 4.439 -0.321 19436 4981 1 16 . 1 1 45 45 SER CA C 45 62.355 62.355 58.359 3.996 19436 4982 1 16 . 1 1 45 45 SER CB C 45 62.355 62.355 62.000 0.355 19436 4983 1 16 . 1 1 45 45 SER H H 45 8.192 8.192 8.032 0.160 19436 4984 1 16 . 1 1 46 46 ASP N N 46 120.511 120.511 127.234 -6.723 19436 4985 1 16 . 1 1 46 46 ASP HA H 46 4.396 4.396 4.796 -0.400 19436 4986 1 16 . 1 1 46 46 ASP C C 46 177.220 177.220 174.713 2.507 19436 4987 1 16 . 1 1 46 46 ASP CA C 46 58.113 58.113 54.383 3.731 19436 4988 1 16 . 1 1 46 46 ASP CB C 46 43.287 43.287 42.130 1.157 19436 4989 1 16 . 1 1 46 46 ASP H H 46 7.354 7.354 8.759 -1.405 19436 4990 1 16 . 1 1 47 47 ALA N N 47 120.606 120.606 121.936 -1.330 19436 4991 1 16 . 1 1 47 47 ALA HA H 47 3.736 3.736 4.634 -0.898 19436 4992 1 16 . 1 1 47 47 ALA C C 47 178.603 178.603 175.638 2.965 19436 4993 1 16 . 1 1 47 47 ALA CA C 47 54.879 54.879 52.148 2.731 19436 4994 1 16 . 1 1 47 47 ALA CB C 47 19.739 19.739 21.076 -1.337 19436 4995 1 16 . 1 1 47 47 ALA H H 47 7.838 7.838 7.876 -0.038 19436 4996 1 16 . 1 1 48 48 ARG N N 48 116.233 116.233 126.607 -10.374 19436 4997 1 16 . 1 1 48 48 ARG HA H 48 3.796 3.796 4.111 -0.315 19436 4998 1 16 . 1 1 48 48 ARG C C 48 177.903 177.903 173.525 4.378 19436 4999 1 16 . 1 1 48 48 ARG CA C 48 61.517 61.517 55.880 5.637 19436 5000 1 16 . 1 1 48 48 ARG CB C 48 30.351 30.351 32.522 -2.171 19436 5001 1 16 . 1 1 48 48 ARG H H 48 8.060 8.060 7.543 0.517 19436 5002 1 16 . 1 1 49 49 VAL N N 49 119.026 119.026 123.533 -4.507 19436 5003 1 16 . 1 1 49 49 VAL HA H 49 3.636 3.636 4.460 -0.824 19436 5004 1 16 . 1 1 49 49 VAL C C 49 177.817 177.817 173.487 4.330 19436 5005 1 16 . 1 1 49 49 VAL CA C 49 67.018 67.018 59.406 7.612 19436 5006 1 16 . 1 1 49 49 VAL CB C 49 31.821 31.821 32.926 -1.105 19436 5007 1 16 . 1 1 49 49 VAL H H 49 7.413 7.413 8.527 -1.114 19436 5008 1 16 . 1 1 50 50 LEU HA H 50 4.113 4.113 4.752 -0.639 19436 5009 1 16 . 1 1 50 50 LEU C C 50 180.992 180.992 175.168 5.824 19436 5010 1 16 . 1 1 50 50 LEU CA C 50 58.382 58.382 52.744 5.638 19436 5011 1 16 . 1 1 50 50 LEU CB C 50 41.668 41.668 42.157 -0.489 19436 5012 1 16 . 1 1 51 51 ILE HA H 51 3.698 3.698 4.281 -0.583 19436 5013 1 16 . 1 1 51 51 ILE C C 51 178.708 178.708 175.903 2.805 19436 5014 1 16 . 1 1 51 51 ILE CA C 51 65.868 65.868 60.451 5.417 19436 5015 1 16 . 1 1 51 51 ILE CB C 51 38.755 38.755 38.946 -0.191 19436 5016 1 16 . 1 1 52 52 PHE N N 52 123.370 123.370 117.384 5.986 19436 5017 1 16 . 1 1 52 52 PHE HA H 52 4.174 4.174 4.278 -0.104 19436 5018 1 16 . 1 1 52 52 PHE C C 52 176.998 176.998 175.950 1.048 19436 5019 1 16 . 1 1 52 52 PHE CA C 52 62.566 62.566 59.111 3.455 19436 5020 1 16 . 1 1 52 52 PHE CB C 52 39.295 39.295 39.086 0.209 19436 5021 1 16 . 1 1 52 52 PHE H H 52 8.748 8.748 8.351 0.397 19436 5022 1 16 . 1 1 53 53 ASN N N 53 117.944 117.944 117.011 0.933 19436 5023 1 16 . 1 1 53 53 ASN HA H 53 4.478 4.478 4.796 -0.318 19436 5024 1 16 . 1 1 53 53 ASN C C 53 178.706 178.706 174.336 4.370 19436 5025 1 16 . 1 1 53 53 ASN CA C 53 56.027 56.027 52.866 3.161 19436 5026 1 16 . 1 1 53 53 ASN CB C 53 37.883 37.883 39.799 -1.916 19436 5027 1 16 . 1 1 53 53 ASN H H 53 8.990 8.990 7.856 1.134 19436 5028 1 16 . 1 1 54 54 GLU N N 54 121.168 121.168 125.666 -4.498 19436 5029 1 16 . 1 1 54 54 GLU HA H 54 4.123 4.123 4.328 -0.205 19436 5030 1 16 . 1 1 54 54 GLU C C 54 177.753 177.753 176.422 1.331 19436 5031 1 16 . 1 1 54 54 GLU CA C 54 59.415 59.415 56.527 2.888 19436 5032 1 16 . 1 1 54 54 GLU CB C 54 30.146 30.146 29.496 0.650 19436 5033 1 16 . 1 1 54 54 GLU H H 54 8.177 8.177 8.797 -0.620 19436 5034 1 16 . 1 1 55 55 TRP N N 55 122.549 122.549 119.930 2.619 19436 5035 1 16 . 1 1 55 55 TRP HA H 55 4.018 4.018 4.458 -0.440 19436 5036 1 16 . 1 1 55 55 TRP C C 55 176.647 176.647 175.780 0.867 19436 5037 1 16 . 1 1 55 55 TRP CA C 55 61.743 61.743 58.590 3.153 19436 5038 1 16 . 1 1 55 55 TRP CB C 55 27.960 27.960 28.297 -0.337 19436 5039 1 16 . 1 1 55 55 TRP H H 55 8.160 8.160 8.171 -0.011 19436 5040 1 16 . 1 1 56 56 GLU N N 56 117.397 117.397 117.883 -0.486 19436 5041 1 16 . 1 1 56 56 GLU HA H 56 2.962 2.962 4.677 -1.715 19436 5042 1 16 . 1 1 56 56 GLU C C 56 178.417 178.417 174.189 4.228 19436 5043 1 16 . 1 1 56 56 GLU CA C 56 59.739 59.739 53.398 6.341 19436 5044 1 16 . 1 1 56 56 GLU CB C 56 29.601 29.601 30.553 -0.952 19436 5045 1 16 . 1 1 56 56 GLU H H 56 8.558 8.558 8.344 0.214 19436 5046 1 16 . 1 1 57 57 GLU HA H 57 4.049 4.049 4.579 -0.530 19436 5047 1 16 . 1 1 57 57 GLU C C 57 179.462 179.462 177.271 2.191 19436 5048 1 16 . 1 1 57 57 GLU CA C 57 58.264 58.264 56.246 2.018 19436 5049 1 16 . 1 1 57 57 GLU CB C 57 29.826 29.826 30.363 -0.537 19436 5050 1 16 . 1 1 58 58 ARG N N 58 120.321 120.321 118.460 1.861 19436 5051 1 16 . 1 1 58 58 ARG HA H 58 3.922 3.922 4.020 -0.098 19436 5052 1 16 . 1 1 58 58 ARG C C 58 178.832 178.832 176.419 2.413 19436 5053 1 16 . 1 1 58 58 ARG CA C 58 58.846 58.846 55.952 2.894 19436 5054 1 16 . 1 1 58 58 ARG H H 58 8.420 8.420 8.703 -0.283 19436 5055 1 16 . 1 1 59 59 LYS N N 59 118.447 118.447 116.837 1.610 19436 5056 1 16 . 1 1 59 59 LYS HA H 59 3.681 3.681 3.867 -0.186 19436 5057 1 16 . 1 1 59 59 LYS C C 59 176.846 176.846 176.119 0.727 19436 5058 1 16 . 1 1 59 59 LYS CA C 59 57.540 57.540 57.462 0.079 19436 5059 1 16 . 1 1 59 59 LYS CB C 59 30.572 30.572 31.420 -0.848 19436 5060 1 16 . 1 1 59 59 LYS H H 59 8.436 8.436 8.168 0.268 19436 5061 1 16 . 1 1 60 60 LYS N N 60 117.663 117.663 118.362 -0.699 19436 5062 1 16 . 1 1 60 60 LYS HA H 60 3.817 3.817 4.407 -0.590 19436 5063 1 16 . 1 1 60 60 LYS C C 60 177.762 177.762 176.788 0.974 19436 5064 1 16 . 1 1 60 60 LYS CA C 60 59.207 59.207 56.074 3.133 19436 5065 1 16 . 1 1 60 60 LYS CB C 60 32.269 32.269 32.929 -0.660 19436 5066 1 16 . 1 1 60 60 LYS H H 60 6.904 6.904 7.971 -1.067 19436 5067 1 16 . 1 1 61 61 SER N N 61 110.383 110.383 115.203 -4.820 19436 5068 1 16 . 1 1 61 61 SER HA H 61 4.527 4.527 5.070 -0.543 19436 5069 1 16 . 1 1 61 61 SER C C 61 174.006 174.006 172.812 1.194 19436 5070 1 16 . 1 1 61 61 SER CA C 61 58.671 58.671 57.191 1.480 19436 5071 1 16 . 1 1 61 61 SER CB C 61 64.444 64.444 65.863 -1.419 19436 5072 1 16 . 1 1 61 61 SER H H 61 7.381 7.381 8.384 -1.003 19436 5073 1 16 . 1 1 62 62 GLU N N 62 121.734 121.734 122.525 -0.791 19436 5074 1 16 . 1 1 62 62 GLU HA H 62 3.681 3.681 4.625 -0.944 19436 5075 1 16 . 1 1 62 62 GLU C C 62 172.751 172.751 174.636 -1.885 19436 5076 1 16 . 1 1 62 62 GLU CA C 62 52.861 52.861 55.759 -2.898 19436 5077 1 16 . 1 1 62 62 GLU CB C 62 30.206 30.206 30.664 -0.458 19436 5078 1 16 . 1 1 62 62 GLU H H 62 7.625 7.625 9.468 -1.843 19436 5079 1 16 . 1 1 63 63 PRO HA H 63 4.267 4.267 5.148 -0.881 19436 5080 1 16 . 1 1 63 63 PRO C C 63 176.541 176.541 176.990 -0.449 19436 5081 1 16 . 1 1 63 63 PRO CA C 63 64.621 64.621 61.481 3.140 19436 5082 1 16 . 1 1 63 63 PRO CB C 63 31.452 31.452 35.704 -4.252 19436 5083 1 16 . 1 1 64 64 TRP N N 64 115.298 115.298 121.081 -5.783 19436 5084 1 16 . 1 1 64 64 TRP HA H 64 4.645 4.645 4.794 -0.149 19436 5085 1 16 . 1 1 64 64 TRP C C 64 176.530 176.530 176.397 0.133 19436 5086 1 16 . 1 1 64 64 TRP CA C 64 56.604 56.604 57.660 -1.056 19436 5087 1 16 . 1 1 64 64 TRP CB C 64 28.026 28.026 31.404 -3.378 19436 5088 1 16 . 1 1 64 64 TRP H H 64 6.837 6.837 8.446 -1.609 19436 5089 1 16 . 1 1 65 65 LEU N N 65 125.040 125.040 126.167 -1.127 19436 5090 1 16 . 1 1 65 65 LEU HA H 65 4.149 4.149 4.448 -0.299 19436 5091 1 16 . 1 1 65 65 LEU C C 65 177.528 177.528 175.978 1.550 19436 5092 1 16 . 1 1 65 65 LEU CA C 65 56.277 56.277 55.560 0.717 19436 5093 1 16 . 1 1 65 65 LEU CB C 65 43.152 43.152 42.952 0.200 19436 5094 1 16 . 1 1 65 65 LEU H H 65 7.252 7.252 8.882 -1.630 19436 5095 1 16 . 1 1 66 66 ARG N N 66 128.225 128.225 117.010 11.215 19436 5096 1 16 . 1 1 66 66 ARG HA H 66 4.578 4.578 4.515 0.063 19436 5097 1 16 . 1 1 66 66 ARG C C 66 175.757 175.757 175.752 0.005 19436 5098 1 16 . 1 1 66 66 ARG CA C 66 55.105 55.105 54.714 0.391 19436 5099 1 16 . 1 1 66 66 ARG CB C 66 31.397 31.397 33.468 -2.071 19436 5100 1 16 . 1 1 66 66 ARG H H 66 8.892 8.892 7.940 0.952 19436 5101 1 16 . 1 1 67 67 LEU N N 67 127.896 127.896 121.654 6.242 19436 5102 1 16 . 1 1 67 67 LEU HA H 67 3.560 3.560 4.095 -0.535 19436 5103 1 16 . 1 1 67 67 LEU C C 67 175.383 175.383 175.623 -0.240 19436 5104 1 16 . 1 1 67 67 LEU CA C 67 54.595 54.595 54.600 -0.005 19436 5105 1 16 . 1 1 67 67 LEU H H 67 8.328 8.328 8.340 -0.012 19436 5106 1 16 . 1 1 68 68 ASP HA H 68 4.719 4.719 4.569 0.150 19436 5107 1 16 . 1 1 68 68 ASP C C 68 174.373 174.373 175.721 -1.348 19436 5108 1 16 . 1 1 68 68 ASP CA C 68 52.936 52.936 55.742 -2.806 19436 5109 1 16 . 1 1 68 68 ASP CB C 68 41.363 41.363 40.855 0.508 19436 5110 1 16 . 1 1 69 69 MET N N 69 122.596 122.596 116.748 5.848 19436 5111 1 16 . 1 1 69 69 MET HA H 69 4.539 4.539 4.637 -0.098 19436 5112 1 16 . 1 1 69 69 MET C C 69 174.798 174.798 175.335 -0.537 19436 5113 1 16 . 1 1 69 69 MET CA C 69 53.657 53.657 53.779 -0.122 19436 5114 1 16 . 1 1 69 69 MET CB C 69 33.356 33.356 31.718 1.638 19436 5115 1 16 . 1 1 69 69 MET H H 69 8.777 8.777 7.997 0.780 19436 5116 1 16 . 1 1 70 70 SER N N 70 116.028 116.028 114.550 1.478 19436 5117 1 16 . 1 1 70 70 SER HA H 70 4.183 4.183 4.358 -0.175 19436 5118 1 16 . 1 1 70 70 SER C C 70 173.995 173.995 175.797 -1.802 19436 5119 1 16 . 1 1 70 70 SER CA C 70 58.683 58.683 59.387 -0.704 19436 5120 1 16 . 1 1 70 70 SER CB C 70 64.826 64.826 62.771 2.055 19436 5121 1 16 . 1 1 70 70 SER H H 70 8.179 8.179 7.681 0.498 19436 5122 1 16 . 1 1 71 71 ASP N N 71 121.658 121.658 125.409 -3.751 19436 5123 1 16 . 1 1 71 71 ASP HA H 71 3.788 3.788 4.244 -0.456 19436 5124 1 16 . 1 1 71 71 ASP C C 71 176.757 176.757 175.359 1.398 19436 5125 1 16 . 1 1 71 71 ASP CA C 71 57.426 57.426 54.029 3.397 19436 5126 1 16 . 1 1 71 71 ASP H H 71 8.789 8.789 9.097 -0.308 19436 5127 1 16 . 1 1 72 72 LYS N N 72 116.258 116.258 119.333 -3.075 19436 5128 1 16 . 1 1 72 72 LYS HA H 72 3.751 3.751 4.856 -1.105 19436 5129 1 16 . 1 1 72 72 LYS C C 72 178.882 178.882 174.670 4.212 19436 5130 1 16 . 1 1 72 72 LYS CA C 72 59.891 59.891 53.156 6.735 19436 5131 1 16 . 1 1 72 72 LYS CB C 72 32.195 32.195 33.124 -0.929 19436 5132 1 16 . 1 1 72 72 LYS H H 72 7.876 7.876 8.082 -0.206 19436 5133 1 16 . 1 1 73 73 ALA HA H 73 3.939 3.939 4.685 -0.746 19436 5134 1 16 . 1 1 73 73 ALA C C 73 181.112 181.112 177.286 3.826 19436 5135 1 16 . 1 1 73 73 ALA CA C 73 55.118 55.118 51.255 3.864 19436 5136 1 16 . 1 1 73 73 ALA CB C 73 17.847 17.847 19.758 -1.911 19436 5137 1 16 . 1 1 74 74 ILE N N 74 119.583 119.583 116.174 3.409 19436 5138 1 16 . 1 1 74 74 ILE HA H 74 3.477 3.477 4.475 -0.998 19436 5139 1 16 . 1 1 74 74 ILE C C 74 177.697 177.697 176.285 1.412 19436 5140 1 16 . 1 1 74 74 ILE CA C 74 66.112 66.112 61.170 4.942 19436 5141 1 16 . 1 1 74 74 ILE CB C 74 37.678 37.678 39.335 -1.657 19436 5142 1 16 . 1 1 74 74 ILE H H 74 8.119 8.119 8.373 -0.254 19436 5143 1 16 . 1 1 75 75 PHE N N 75 117.768 117.768 115.777 1.991 19436 5144 1 16 . 1 1 75 75 PHE HA H 75 4.431 4.431 4.844 -0.413 19436 5145 1 16 . 1 1 75 75 PHE C C 75 177.987 177.987 175.967 2.020 19436 5146 1 16 . 1 1 75 75 PHE CA C 75 56.968 56.968 55.529 1.439 19436 5147 1 16 . 1 1 75 75 PHE CB C 75 37.281 37.281 42.093 -4.812 19436 5148 1 16 . 1 1 75 75 PHE H H 75 8.553 8.553 8.020 0.533 19436 5149 1 16 . 1 1 76 76 ARG N N 76 117.370 117.370 121.766 -4.396 19436 5150 1 16 . 1 1 76 76 ARG HA H 76 4.059 4.059 4.036 0.023 19436 5151 1 16 . 1 1 76 76 ARG C C 76 177.520 177.520 178.794 -1.274 19436 5152 1 16 . 1 1 76 76 ARG CA C 76 58.690 58.690 59.585 -0.895 19436 5153 1 16 . 1 1 76 76 ARG CB C 76 30.417 30.417 29.571 0.846 19436 5154 1 16 . 1 1 76 76 ARG H H 76 7.532 7.532 8.902 -1.370 19436 5155 1 16 . 1 1 77 77 ARG N N 77 117.482 117.482 119.375 -1.893 19436 5156 1 16 . 1 1 77 77 ARG HA H 77 3.967 3.967 4.021 -0.054 19436 5157 1 16 . 1 1 77 77 ARG C C 77 176.168 176.168 177.747 -1.579 19436 5158 1 16 . 1 1 77 77 ARG CA C 77 57.472 57.472 59.575 -2.103 19436 5159 1 16 . 1 1 77 77 ARG CB C 77 31.746 31.746 29.927 1.819 19436 5160 1 16 . 1 1 77 77 ARG H H 77 7.222 7.222 8.126 -0.904 19436 5161 1 16 . 1 1 78 78 TYR N N 78 116.126 116.126 121.869 -5.743 19436 5162 1 16 . 1 1 78 78 TYR HA H 78 5.333 5.333 4.237 1.096 19436 5163 1 16 . 1 1 78 78 TYR C C 78 172.361 172.361 178.020 -5.659 19436 5164 1 16 . 1 1 78 78 TYR CB C 78 38.546 38.546 37.976 0.570 19436 5165 1 16 . 1 1 78 78 TYR H H 78 8.823 8.823 7.976 0.847 19436 5166 1 16 . 1 1 79 79 PRO HA H 79 4.441 4.441 3.829 0.612 19436 5167 1 16 . 1 1 79 79 PRO C C 79 178.491 178.491 179.201 -0.710 19436 5168 1 16 . 1 1 79 79 PRO CA C 79 64.854 64.854 66.266 -1.412 19436 5169 1 16 . 1 1 79 79 PRO CB C 79 31.694 31.694 31.214 0.480 19436 5170 1 16 . 1 1 80 80 HIS N N 80 115.604 115.604 117.256 -1.652 19436 5171 1 16 . 1 1 80 80 HIS HA H 80 4.549 4.549 4.196 0.353 19436 5172 1 16 . 1 1 80 80 HIS C C 80 176.202 176.202 177.889 -1.687 19436 5173 1 16 . 1 1 80 80 HIS CA C 80 58.597 58.597 59.781 -1.184 19436 5174 1 16 . 1 1 80 80 HIS CB C 80 29.685 29.685 29.674 0.011 19436 5175 1 16 . 1 1 80 80 HIS H H 80 8.274 8.274 8.184 0.090 19436 5176 1 16 . 1 1 81 81 LEU N N 81 120.646 120.646 121.734 -1.088 19436 5177 1 16 . 1 1 81 81 LEU HA H 81 4.228 4.228 4.012 0.216 19436 5178 1 16 . 1 1 81 81 LEU C C 81 175.906 175.906 178.612 -2.706 19436 5179 1 16 . 1 1 81 81 LEU CA C 81 54.105 54.105 59.546 -5.441 19436 5180 1 16 . 1 1 81 81 LEU CB C 81 41.759 41.759 41.802 -0.043 19436 5181 1 16 . 1 1 81 81 LEU H H 81 7.609 7.609 8.342 -0.733 19436 5182 1 16 . 1 1 82 82 ARG N N 82 125.478 125.478 119.760 5.718 19436 5183 1 16 . 1 1 82 82 ARG C C 82 180.927 180.927 178.627 2.300 19436 5184 1 16 . 1 1 82 82 ARG H H 82 7.079 7.079 8.375 -1.296 19436 5185 1 17 . 1 1 2 2 PRO HA H 2 4.442 4.442 4.687 -0.245 19436 5186 1 17 . 1 1 2 2 PRO CA C 2 62.895 62.895 62.437 0.458 19436 5187 1 17 . 1 1 2 2 PRO CB C 2 31.958 31.958 32.899 -0.941 19436 5188 1 17 . 1 1 3 3 SER N N 3 117.584 117.584 116.299 1.285 19436 5189 1 17 . 1 1 3 3 SER H H 3 8.434 8.434 8.930 -0.496 19436 5190 1 17 . 1 1 4 4 PRO HA H 4 4.442 4.442 4.694 -0.252 19436 5191 1 17 . 1 1 4 4 PRO C C 4 176.912 176.912 178.459 -1.547 19436 5192 1 17 . 1 1 4 4 PRO CA C 4 63.325 63.325 63.011 0.314 19436 5193 1 17 . 1 1 4 4 PRO CB C 4 32.011 32.011 32.714 -0.703 19436 5194 1 17 . 1 1 5 5 LEU N N 5 121.539 121.539 123.412 -1.873 19436 5195 1 17 . 1 1 5 5 LEU HA H 5 4.344 4.344 4.311 0.033 19436 5196 1 17 . 1 1 5 5 LEU C C 5 177.549 177.549 177.130 0.419 19436 5197 1 17 . 1 1 5 5 LEU CA C 5 55.395 55.395 55.174 0.221 19436 5198 1 17 . 1 1 5 5 LEU CB C 5 42.317 42.317 42.068 0.249 19436 5199 1 17 . 1 1 5 5 LEU H H 5 8.281 8.281 8.920 -0.639 19436 5200 1 17 . 1 1 6 6 SER N N 6 116.435 116.435 114.984 1.451 19436 5201 1 17 . 1 1 6 6 SER HA H 6 4.464 4.464 3.658 0.806 19436 5202 1 17 . 1 1 6 6 SER C C 6 174.630 174.630 175.163 -0.533 19436 5203 1 17 . 1 1 6 6 SER CA C 6 58.262 58.262 57.918 0.344 19436 5204 1 17 . 1 1 6 6 SER CB C 6 63.883 63.883 63.234 0.649 19436 5205 1 17 . 1 1 6 6 SER H H 6 8.250 8.250 7.569 0.681 19436 5206 1 17 . 1 1 7 7 SER N N 7 117.774 117.774 115.901 1.873 19436 5207 1 17 . 1 1 7 7 SER HA H 7 4.481 4.481 4.166 0.315 19436 5208 1 17 . 1 1 7 7 SER C C 7 174.630 174.630 173.847 0.783 19436 5209 1 17 . 1 1 7 7 SER CA C 7 58.511 58.511 57.605 0.906 19436 5210 1 17 . 1 1 7 7 SER CB C 7 63.827 63.827 60.892 2.935 19436 5211 1 17 . 1 1 7 7 SER H H 7 8.392 8.392 6.921 1.471 19436 5212 1 17 . 1 1 8 8 GLU N N 8 122.440 122.440 120.822 1.618 19436 5213 1 17 . 1 1 8 8 GLU HA H 8 4.332 4.332 3.920 0.412 19436 5214 1 17 . 1 1 8 8 GLU C C 8 176.591 176.591 176.854 -0.263 19436 5215 1 17 . 1 1 8 8 GLU CA C 8 56.846 56.846 57.291 -0.445 19436 5216 1 17 . 1 1 8 8 GLU CB C 8 30.125 30.125 30.125 0.000 19436 5217 1 17 . 1 1 8 8 GLU H H 8 8.458 8.458 7.487 0.971 19436 5218 1 17 . 1 1 9 9 SER N N 9 116.179 116.179 108.407 7.772 19436 5219 1 17 . 1 1 9 9 SER HA H 9 4.449 4.449 4.154 0.295 19436 5220 1 17 . 1 1 9 9 SER C C 9 174.763 174.763 173.496 1.267 19436 5221 1 17 . 1 1 9 9 SER CA C 9 58.455 58.455 59.842 -1.387 19436 5222 1 17 . 1 1 9 9 SER CB C 9 64.002 64.002 60.539 3.463 19436 5223 1 17 . 1 1 9 9 SER H H 9 8.280 8.280 8.414 -0.134 19436 5224 1 17 . 1 1 10 10 GLU N N 10 122.989 122.989 120.023 2.966 19436 5225 1 17 . 1 1 10 10 GLU HA H 10 4.212 4.212 4.522 -0.310 19436 5226 1 17 . 1 1 10 10 GLU C C 10 176.344 176.344 177.233 -0.889 19436 5227 1 17 . 1 1 10 10 GLU CA C 10 56.967 56.967 55.741 1.226 19436 5228 1 17 . 1 1 10 10 GLU CB C 10 30.176 30.176 30.615 -0.439 19436 5229 1 17 . 1 1 10 10 GLU H H 10 8.488 8.488 8.004 0.484 19436 5230 1 17 . 1 1 29 29 ALA N N 29 126.204 126.204 124.513 1.691 19436 5231 1 17 . 1 1 29 29 ALA HA H 29 4.487 4.487 4.567 -0.080 19436 5232 1 17 . 1 1 29 29 ALA C C 29 176.100 176.100 175.690 0.410 19436 5233 1 17 . 1 1 29 29 ALA CA C 29 51.192 51.192 51.827 -0.635 19436 5234 1 17 . 1 1 29 29 ALA CB C 29 20.176 20.176 20.264 -0.088 19436 5235 1 17 . 1 1 29 29 ALA H H 29 8.570 8.570 8.234 0.336 19436 5236 1 17 . 1 1 30 30 ALA N N 30 128.202 128.202 128.172 0.030 19436 5237 1 17 . 1 1 30 30 ALA HA H 30 4.303 4.303 4.368 -0.065 19436 5238 1 17 . 1 1 30 30 ALA C C 30 176.096 176.096 175.848 0.248 19436 5239 1 17 . 1 1 30 30 ALA CA C 30 51.956 51.956 51.140 0.816 19436 5240 1 17 . 1 1 30 30 ALA CB C 30 18.945 18.945 20.457 -1.512 19436 5241 1 17 . 1 1 30 30 ALA H H 30 8.665 8.665 7.766 0.899 19436 5242 1 17 . 1 1 31 31 LEU N N 31 120.119 120.119 121.737 -1.618 19436 5243 1 17 . 1 1 31 31 LEU HA H 31 4.897 4.897 4.494 0.403 19436 5244 1 17 . 1 1 31 31 LEU C C 31 178.865 178.865 177.227 1.638 19436 5245 1 17 . 1 1 31 31 LEU CA C 31 52.051 52.051 54.805 -2.754 19436 5246 1 17 . 1 1 31 31 LEU CB C 31 44.147 44.147 43.275 0.872 19436 5247 1 17 . 1 1 31 31 LEU H H 31 8.034 8.034 8.316 -0.282 19436 5248 1 17 . 1 1 32 32 HIS N N 32 122.302 122.302 120.961 1.341 19436 5249 1 17 . 1 1 32 32 HIS HA H 32 4.186 4.186 4.386 -0.200 19436 5250 1 17 . 1 1 32 32 HIS C C 32 177.524 177.524 174.240 3.284 19436 5251 1 17 . 1 1 32 32 HIS H H 32 8.573 8.573 8.345 0.228 19436 5252 1 17 . 1 1 33 33 ALA HA H 33 4.411 4.411 4.505 -0.094 19436 5253 1 17 . 1 1 33 33 ALA CA C 33 53.433 53.433 51.296 2.137 19436 5254 1 17 . 1 1 33 33 ALA CB C 33 20.342 20.342 19.570 0.772 19436 5255 1 17 . 1 1 34 34 GLU HA H 34 4.684 4.684 4.437 0.247 19436 5256 1 17 . 1 1 34 34 GLU CA C 34 54.841 54.841 56.375 -1.534 19436 5257 1 17 . 1 1 34 34 GLU CB C 34 33.102 33.102 30.694 2.408 19436 5258 1 17 . 1 1 35 35 GLY N N 35 108.193 108.193 109.458 -1.265 19436 5259 1 17 . 1 1 35 35 GLY H H 35 8.661 8.661 8.278 0.383 19436 5260 1 17 . 1 1 36 36 PRO HA H 36 4.278 4.278 4.639 -0.361 19436 5261 1 17 . 1 1 36 36 PRO C C 36 177.885 177.885 176.256 1.629 19436 5262 1 17 . 1 1 36 36 PRO CA C 36 64.598 64.598 63.185 1.413 19436 5263 1 17 . 1 1 36 36 PRO CB C 36 31.945 31.945 31.645 0.300 19436 5264 1 17 . 1 1 37 37 LEU N N 37 117.378 117.378 123.364 -5.986 19436 5265 1 17 . 1 1 37 37 LEU HA H 37 4.256 4.256 4.490 -0.234 19436 5266 1 17 . 1 1 37 37 LEU C C 37 174.928 174.928 177.127 -2.199 19436 5267 1 17 . 1 1 37 37 LEU CA C 37 52.682 52.682 54.332 -1.650 19436 5268 1 17 . 1 1 37 37 LEU CB C 37 40.999 40.999 42.473 -1.474 19436 5269 1 17 . 1 1 37 37 LEU H H 37 8.557 8.557 8.217 0.340 19436 5270 1 17 . 1 1 38 38 ALA N N 38 120.501 120.501 123.264 -2.763 19436 5271 1 17 . 1 1 38 38 ALA HA H 38 3.476 3.476 4.335 -0.859 19436 5272 1 17 . 1 1 38 38 ALA C C 38 178.760 178.760 176.950 1.810 19436 5273 1 17 . 1 1 38 38 ALA CA C 38 53.756 53.756 52.190 1.566 19436 5274 1 17 . 1 1 38 38 ALA CB C 38 17.949 17.949 19.071 -1.122 19436 5275 1 17 . 1 1 38 38 ALA H H 38 7.202 7.202 7.664 -0.462 19436 5276 1 17 . 1 1 39 39 GLY N N 39 108.963 108.963 112.866 -3.903 19436 5277 1 17 . 1 1 39 39 GLY C C 39 173.272 173.272 173.109 0.163 19436 5278 1 17 . 1 1 39 39 GLY CA C 39 45.183 45.183 44.491 0.692 19436 5279 1 17 . 1 1 39 39 GLY H H 39 8.942 8.942 8.403 0.539 19436 5280 1 17 . 1 1 40 40 LEU N N 40 120.080 120.080 122.329 -2.249 19436 5281 1 17 . 1 1 40 40 LEU HA H 40 4.830 4.830 4.741 0.089 19436 5282 1 17 . 1 1 40 40 LEU C C 40 174.422 174.422 175.362 -0.940 19436 5283 1 17 . 1 1 40 40 LEU CB C 40 41.282 41.282 44.333 -3.050 19436 5284 1 17 . 1 1 40 40 LEU H H 40 8.216 8.216 8.381 -0.165 19436 5285 1 17 . 1 1 41 41 PRO HA H 41 4.803 4.803 4.602 0.201 19436 5286 1 17 . 1 1 41 41 PRO CA C 41 61.528 61.528 62.762 -1.234 19436 5287 1 17 . 1 1 41 41 PRO CB C 41 31.384 31.384 33.408 -2.024 19436 5288 1 17 . 1 1 42 42 VAL N N 42 121.846 121.846 119.869 1.977 19436 5289 1 17 . 1 1 42 42 VAL HA H 42 3.510 3.510 3.798 -0.288 19436 5290 1 17 . 1 1 42 42 VAL CA C 42 65.888 65.888 63.185 2.703 19436 5291 1 17 . 1 1 42 42 VAL CB C 42 31.208 31.208 31.630 -0.422 19436 5292 1 17 . 1 1 42 42 VAL H H 42 7.784 7.784 8.747 -0.963 19436 5293 1 17 . 1 1 43 43 THR N N 43 109.158 109.158 113.557 -4.399 19436 5294 1 17 . 1 1 43 43 THR HA H 43 4.996 4.996 4.127 0.869 19436 5295 1 17 . 1 1 43 43 THR CA C 43 59.964 59.964 63.554 -3.590 19436 5296 1 17 . 1 1 43 43 THR CB C 43 12.133 12.133 69.087 -56.954 19436 5297 1 17 . 1 1 43 43 THR H H 43 8.911 8.911 8.384 0.527 19436 5298 1 17 . 1 1 44 44 ARG N N 44 120.175 120.175 117.036 3.139 19436 5299 1 17 . 1 1 44 44 ARG HA H 44 3.936 3.936 4.387 -0.451 19436 5300 1 17 . 1 1 44 44 ARG CA C 44 60.596 60.596 55.221 5.375 19436 5301 1 17 . 1 1 44 44 ARG CB C 44 29.617 29.617 31.189 -1.572 19436 5302 1 17 . 1 1 44 44 ARG H H 44 9.305 9.305 8.061 1.244 19436 5303 1 17 . 1 1 45 45 SER N N 45 114.367 114.367 117.241 -2.874 19436 5304 1 17 . 1 1 45 45 SER HA H 45 4.118 4.118 4.480 -0.362 19436 5305 1 17 . 1 1 45 45 SER CA C 45 62.355 62.355 57.004 5.351 19436 5306 1 17 . 1 1 45 45 SER CB C 45 62.355 62.355 62.755 -0.400 19436 5307 1 17 . 1 1 45 45 SER H H 45 8.192 8.192 7.414 0.778 19436 5308 1 17 . 1 1 46 46 ASP N N 46 120.511 120.511 123.177 -2.666 19436 5309 1 17 . 1 1 46 46 ASP HA H 46 4.396 4.396 4.276 0.120 19436 5310 1 17 . 1 1 46 46 ASP C C 46 177.220 177.220 175.955 1.265 19436 5311 1 17 . 1 1 46 46 ASP CA C 46 58.113 58.113 54.821 3.292 19436 5312 1 17 . 1 1 46 46 ASP CB C 46 43.287 43.287 39.487 3.800 19436 5313 1 17 . 1 1 46 46 ASP H H 46 7.354 7.354 9.081 -1.727 19436 5314 1 17 . 1 1 47 47 ALA N N 47 120.606 120.606 123.542 -2.936 19436 5315 1 17 . 1 1 47 47 ALA HA H 47 3.736 3.736 4.156 -0.420 19436 5316 1 17 . 1 1 47 47 ALA C C 47 178.603 178.603 177.269 1.334 19436 5317 1 17 . 1 1 47 47 ALA CA C 47 54.879 54.879 52.088 2.791 19436 5318 1 17 . 1 1 47 47 ALA CB C 47 19.739 19.739 17.417 2.322 19436 5319 1 17 . 1 1 47 47 ALA H H 47 7.838 7.838 8.229 -0.391 19436 5320 1 17 . 1 1 48 48 ARG N N 48 116.233 116.233 119.045 -2.812 19436 5321 1 17 . 1 1 48 48 ARG HA H 48 3.796 3.796 3.987 -0.191 19436 5322 1 17 . 1 1 48 48 ARG C C 48 177.903 177.903 174.882 3.021 19436 5323 1 17 . 1 1 48 48 ARG CA C 48 61.517 61.517 57.298 4.219 19436 5324 1 17 . 1 1 48 48 ARG CB C 48 30.351 30.351 29.823 0.528 19436 5325 1 17 . 1 1 48 48 ARG H H 48 8.060 8.060 7.849 0.211 19436 5326 1 17 . 1 1 49 49 VAL N N 49 119.026 119.026 118.658 0.368 19436 5327 1 17 . 1 1 49 49 VAL HA H 49 3.636 3.636 4.546 -0.910 19436 5328 1 17 . 1 1 49 49 VAL C C 49 177.817 177.817 173.824 3.993 19436 5329 1 17 . 1 1 49 49 VAL CA C 49 67.018 67.018 59.977 7.041 19436 5330 1 17 . 1 1 49 49 VAL CB C 49 31.821 31.821 33.096 -1.275 19436 5331 1 17 . 1 1 49 49 VAL H H 49 7.413 7.413 8.055 -0.642 19436 5332 1 17 . 1 1 50 50 LEU HA H 50 4.113 4.113 4.518 -0.405 19436 5333 1 17 . 1 1 50 50 LEU C C 50 180.992 180.992 174.913 6.079 19436 5334 1 17 . 1 1 50 50 LEU CA C 50 58.382 58.382 53.829 4.553 19436 5335 1 17 . 1 1 50 50 LEU CB C 50 41.668 41.668 41.684 -0.017 19436 5336 1 17 . 1 1 51 51 ILE HA H 51 3.698 3.698 4.239 -0.541 19436 5337 1 17 . 1 1 51 51 ILE C C 51 178.708 178.708 175.283 3.425 19436 5338 1 17 . 1 1 51 51 ILE CA C 51 65.868 65.868 61.107 4.761 19436 5339 1 17 . 1 1 51 51 ILE CB C 51 38.755 38.755 38.769 -0.014 19436 5340 1 17 . 1 1 52 52 PHE N N 52 123.370 123.370 122.576 0.794 19436 5341 1 17 . 1 1 52 52 PHE HA H 52 4.174 4.174 4.491 -0.317 19436 5342 1 17 . 1 1 52 52 PHE C C 52 176.998 176.998 176.389 0.609 19436 5343 1 17 . 1 1 52 52 PHE CA C 52 62.566 62.566 58.266 4.300 19436 5344 1 17 . 1 1 52 52 PHE CB C 52 39.295 39.295 38.766 0.529 19436 5345 1 17 . 1 1 52 52 PHE H H 52 8.748 8.748 8.418 0.330 19436 5346 1 17 . 1 1 53 53 ASN N N 53 117.944 117.944 123.623 -5.679 19436 5347 1 17 . 1 1 53 53 ASN HA H 53 4.478 4.478 4.597 -0.119 19436 5348 1 17 . 1 1 53 53 ASN C C 53 178.706 178.706 175.739 2.967 19436 5349 1 17 . 1 1 53 53 ASN CA C 53 56.027 56.027 54.738 1.289 19436 5350 1 17 . 1 1 53 53 ASN CB C 53 37.883 37.883 38.555 -0.672 19436 5351 1 17 . 1 1 53 53 ASN H H 53 8.990 8.990 9.010 -0.020 19436 5352 1 17 . 1 1 54 54 GLU N N 54 121.168 121.168 116.872 4.296 19436 5353 1 17 . 1 1 54 54 GLU HA H 54 4.123 4.123 4.468 -0.345 19436 5354 1 17 . 1 1 54 54 GLU C C 54 177.753 177.753 175.510 2.243 19436 5355 1 17 . 1 1 54 54 GLU CA C 54 59.415 59.415 56.059 3.356 19436 5356 1 17 . 1 1 54 54 GLU CB C 54 30.146 30.146 30.133 0.013 19436 5357 1 17 . 1 1 54 54 GLU H H 54 8.177 8.177 8.066 0.111 19436 5358 1 17 . 1 1 55 55 TRP N N 55 122.549 122.549 123.753 -1.204 19436 5359 1 17 . 1 1 55 55 TRP HA H 55 4.018 4.018 4.748 -0.730 19436 5360 1 17 . 1 1 55 55 TRP C C 55 176.647 176.647 175.508 1.139 19436 5361 1 17 . 1 1 55 55 TRP CA C 55 61.743 61.743 57.825 3.918 19436 5362 1 17 . 1 1 55 55 TRP CB C 55 27.960 27.960 27.838 0.122 19436 5363 1 17 . 1 1 55 55 TRP H H 55 8.160 8.160 8.173 -0.013 19436 5364 1 17 . 1 1 56 56 GLU N N 56 117.397 117.397 121.832 -4.435 19436 5365 1 17 . 1 1 56 56 GLU HA H 56 2.962 2.962 4.622 -1.660 19436 5366 1 17 . 1 1 56 56 GLU C C 56 178.417 178.417 174.457 3.960 19436 5367 1 17 . 1 1 56 56 GLU CA C 56 59.739 59.739 54.901 4.838 19436 5368 1 17 . 1 1 56 56 GLU CB C 56 29.601 29.601 31.107 -1.506 19436 5369 1 17 . 1 1 56 56 GLU H H 56 8.558 8.558 7.863 0.695 19436 5370 1 17 . 1 1 57 57 GLU HA H 57 4.049 4.049 4.592 -0.543 19436 5371 1 17 . 1 1 57 57 GLU C C 57 179.462 179.462 176.281 3.181 19436 5372 1 17 . 1 1 57 57 GLU CA C 57 58.264 58.264 55.834 2.430 19436 5373 1 17 . 1 1 57 57 GLU CB C 57 29.826 29.826 30.942 -1.116 19436 5374 1 17 . 1 1 58 58 ARG N N 58 120.321 120.321 120.257 0.064 19436 5375 1 17 . 1 1 58 58 ARG HA H 58 3.922 3.922 4.039 -0.117 19436 5376 1 17 . 1 1 58 58 ARG C C 58 178.832 178.832 175.160 3.672 19436 5377 1 17 . 1 1 58 58 ARG CA C 58 58.846 58.846 55.727 3.119 19436 5378 1 17 . 1 1 58 58 ARG H H 58 8.420 8.420 8.347 0.073 19436 5379 1 17 . 1 1 59 59 LYS N N 59 118.447 118.447 119.840 -1.393 19436 5380 1 17 . 1 1 59 59 LYS HA H 59 3.681 3.681 4.172 -0.491 19436 5381 1 17 . 1 1 59 59 LYS C C 59 176.846 176.846 176.703 0.143 19436 5382 1 17 . 1 1 59 59 LYS CA C 59 57.540 57.540 56.589 0.951 19436 5383 1 17 . 1 1 59 59 LYS CB C 59 30.572 30.572 31.784 -1.212 19436 5384 1 17 . 1 1 59 59 LYS H H 59 8.436 8.436 8.453 -0.017 19436 5385 1 17 . 1 1 60 60 LYS N N 60 117.663 117.663 119.106 -1.443 19436 5386 1 17 . 1 1 60 60 LYS HA H 60 3.817 3.817 4.414 -0.597 19436 5387 1 17 . 1 1 60 60 LYS C C 60 177.762 177.762 176.941 0.821 19436 5388 1 17 . 1 1 60 60 LYS CA C 60 59.207 59.207 55.868 3.339 19436 5389 1 17 . 1 1 60 60 LYS CB C 60 32.269 32.269 32.756 -0.487 19436 5390 1 17 . 1 1 60 60 LYS H H 60 6.904 6.904 7.866 -0.962 19436 5391 1 17 . 1 1 61 61 SER N N 61 110.383 110.383 114.630 -4.247 19436 5392 1 17 . 1 1 61 61 SER HA H 61 4.527 4.527 5.010 -0.483 19436 5393 1 17 . 1 1 61 61 SER C C 61 174.006 174.006 172.567 1.439 19436 5394 1 17 . 1 1 61 61 SER CA C 61 58.671 58.671 57.425 1.246 19436 5395 1 17 . 1 1 61 61 SER CB C 61 64.444 64.444 65.907 -1.464 19436 5396 1 17 . 1 1 61 61 SER H H 61 7.381 7.381 8.397 -1.016 19436 5397 1 17 . 1 1 62 62 GLU N N 62 121.734 121.734 121.230 0.504 19436 5398 1 17 . 1 1 62 62 GLU HA H 62 3.681 3.681 4.685 -1.004 19436 5399 1 17 . 1 1 62 62 GLU C C 62 172.751 172.751 174.588 -1.837 19436 5400 1 17 . 1 1 62 62 GLU CA C 62 52.861 52.861 55.590 -2.729 19436 5401 1 17 . 1 1 62 62 GLU CB C 62 30.206 30.206 30.767 -0.561 19436 5402 1 17 . 1 1 62 62 GLU H H 62 7.625 7.625 9.431 -1.806 19436 5403 1 17 . 1 1 63 63 PRO HA H 63 4.267 4.267 5.142 -0.875 19436 5404 1 17 . 1 1 63 63 PRO C C 63 176.541 176.541 177.022 -0.481 19436 5405 1 17 . 1 1 63 63 PRO CA C 63 64.621 64.621 61.507 3.114 19436 5406 1 17 . 1 1 63 63 PRO CB C 63 31.452 31.452 35.443 -3.991 19436 5407 1 17 . 1 1 64 64 TRP N N 64 115.298 115.298 120.973 -5.675 19436 5408 1 17 . 1 1 64 64 TRP HA H 64 4.645 4.645 4.796 -0.151 19436 5409 1 17 . 1 1 64 64 TRP C C 64 176.530 176.530 176.376 0.154 19436 5410 1 17 . 1 1 64 64 TRP CA C 64 56.604 56.604 57.657 -1.053 19436 5411 1 17 . 1 1 64 64 TRP CB C 64 28.026 28.026 31.658 -3.632 19436 5412 1 17 . 1 1 64 64 TRP H H 64 6.837 6.837 8.509 -1.672 19436 5413 1 17 . 1 1 65 65 LEU N N 65 125.040 125.040 125.486 -0.446 19436 5414 1 17 . 1 1 65 65 LEU HA H 65 4.149 4.149 4.470 -0.321 19436 5415 1 17 . 1 1 65 65 LEU C C 65 177.528 177.528 175.332 2.196 19436 5416 1 17 . 1 1 65 65 LEU CA C 65 56.277 56.277 55.188 1.089 19436 5417 1 17 . 1 1 65 65 LEU CB C 65 43.152 43.152 42.965 0.187 19436 5418 1 17 . 1 1 65 65 LEU H H 65 7.252 7.252 8.875 -1.623 19436 5419 1 17 . 1 1 66 66 ARG N N 66 128.225 128.225 117.484 10.741 19436 5420 1 17 . 1 1 66 66 ARG HA H 66 4.578 4.578 4.499 0.079 19436 5421 1 17 . 1 1 66 66 ARG C C 66 175.757 175.757 175.855 -0.098 19436 5422 1 17 . 1 1 66 66 ARG CA C 66 55.105 55.105 54.575 0.529 19436 5423 1 17 . 1 1 66 66 ARG CB C 66 31.397 31.397 32.460 -1.063 19436 5424 1 17 . 1 1 66 66 ARG H H 66 8.892 8.892 7.910 0.982 19436 5425 1 17 . 1 1 67 67 LEU N N 67 127.896 127.896 121.380 6.516 19436 5426 1 17 . 1 1 67 67 LEU HA H 67 3.560 3.560 4.068 -0.508 19436 5427 1 17 . 1 1 67 67 LEU C C 67 175.383 175.383 175.938 -0.555 19436 5428 1 17 . 1 1 67 67 LEU CA C 67 54.595 54.595 54.587 0.008 19436 5429 1 17 . 1 1 67 67 LEU H H 67 8.328 8.328 8.407 -0.079 19436 5430 1 17 . 1 1 68 68 ASP HA H 68 4.719 4.719 4.596 0.123 19436 5431 1 17 . 1 1 68 68 ASP C C 68 174.373 174.373 175.878 -1.505 19436 5432 1 17 . 1 1 68 68 ASP CA C 68 52.936 52.936 55.636 -2.700 19436 5433 1 17 . 1 1 68 68 ASP CB C 68 41.363 41.363 40.809 0.554 19436 5434 1 17 . 1 1 69 69 MET N N 69 122.596 122.596 116.807 5.789 19436 5435 1 17 . 1 1 69 69 MET HA H 69 4.539 4.539 4.639 -0.100 19436 5436 1 17 . 1 1 69 69 MET C C 69 174.798 174.798 175.519 -0.721 19436 5437 1 17 . 1 1 69 69 MET CA C 69 53.657 53.657 54.046 -0.389 19436 5438 1 17 . 1 1 69 69 MET CB C 69 33.356 33.356 31.924 1.432 19436 5439 1 17 . 1 1 69 69 MET H H 69 8.777 8.777 7.869 0.908 19436 5440 1 17 . 1 1 70 70 SER N N 70 116.028 116.028 115.081 0.947 19436 5441 1 17 . 1 1 70 70 SER HA H 70 4.183 4.183 4.448 -0.265 19436 5442 1 17 . 1 1 70 70 SER C C 70 173.995 173.995 175.479 -1.484 19436 5443 1 17 . 1 1 70 70 SER CA C 70 58.683 58.683 59.349 -0.666 19436 5444 1 17 . 1 1 70 70 SER CB C 70 64.826 64.826 62.628 2.198 19436 5445 1 17 . 1 1 70 70 SER H H 70 8.179 8.179 7.635 0.544 19436 5446 1 17 . 1 1 71 71 ASP N N 71 121.658 121.658 125.083 -3.425 19436 5447 1 17 . 1 1 71 71 ASP HA H 71 3.788 3.788 4.376 -0.588 19436 5448 1 17 . 1 1 71 71 ASP C C 71 176.757 176.757 176.024 0.733 19436 5449 1 17 . 1 1 71 71 ASP CA C 71 57.426 57.426 54.006 3.420 19436 5450 1 17 . 1 1 71 71 ASP H H 71 8.789 8.789 8.969 -0.180 19436 5451 1 17 . 1 1 72 72 LYS N N 72 116.258 116.258 121.727 -5.469 19436 5452 1 17 . 1 1 72 72 LYS HA H 72 3.751 3.751 4.829 -1.078 19436 5453 1 17 . 1 1 72 72 LYS C C 72 178.882 178.882 174.754 4.128 19436 5454 1 17 . 1 1 72 72 LYS CA C 72 59.891 59.891 53.402 6.489 19436 5455 1 17 . 1 1 72 72 LYS CB C 72 32.195 32.195 32.625 -0.430 19436 5456 1 17 . 1 1 72 72 LYS H H 72 7.876 7.876 7.878 -0.002 19436 5457 1 17 . 1 1 73 73 ALA HA H 73 3.939 3.939 4.625 -0.686 19436 5458 1 17 . 1 1 73 73 ALA C C 73 181.112 181.112 177.527 3.585 19436 5459 1 17 . 1 1 73 73 ALA CA C 73 55.118 55.118 51.387 3.731 19436 5460 1 17 . 1 1 73 73 ALA CB C 73 17.847 17.847 19.725 -1.878 19436 5461 1 17 . 1 1 74 74 ILE N N 74 119.583 119.583 116.924 2.659 19436 5462 1 17 . 1 1 74 74 ILE HA H 74 3.477 3.477 4.441 -0.964 19436 5463 1 17 . 1 1 74 74 ILE C C 74 177.697 177.697 176.465 1.232 19436 5464 1 17 . 1 1 74 74 ILE CA C 74 66.112 66.112 61.566 4.546 19436 5465 1 17 . 1 1 74 74 ILE CB C 74 37.678 37.678 39.104 -1.426 19436 5466 1 17 . 1 1 74 74 ILE H H 74 8.119 8.119 8.249 -0.130 19436 5467 1 17 . 1 1 75 75 PHE N N 75 117.768 117.768 114.608 3.160 19436 5468 1 17 . 1 1 75 75 PHE HA H 75 4.431 4.431 4.797 -0.366 19436 5469 1 17 . 1 1 75 75 PHE C C 75 177.987 177.987 176.073 1.914 19436 5470 1 17 . 1 1 75 75 PHE CA C 75 56.968 56.968 54.928 2.040 19436 5471 1 17 . 1 1 75 75 PHE CB C 75 37.281 37.281 42.237 -4.956 19436 5472 1 17 . 1 1 75 75 PHE H H 75 8.553 8.553 8.096 0.457 19436 5473 1 17 . 1 1 76 76 ARG N N 76 117.370 117.370 122.215 -4.845 19436 5474 1 17 . 1 1 76 76 ARG HA H 76 4.059 4.059 3.999 0.060 19436 5475 1 17 . 1 1 76 76 ARG C C 76 177.520 177.520 177.898 -0.378 19436 5476 1 17 . 1 1 76 76 ARG CA C 76 58.690 58.690 60.337 -1.647 19436 5477 1 17 . 1 1 76 76 ARG CB C 76 30.417 30.417 30.123 0.294 19436 5478 1 17 . 1 1 76 76 ARG H H 76 7.532 7.532 8.784 -1.252 19436 5479 1 17 . 1 1 77 77 ARG N N 77 117.482 117.482 119.291 -1.809 19436 5480 1 17 . 1 1 77 77 ARG HA H 77 3.967 3.967 4.029 -0.062 19436 5481 1 17 . 1 1 77 77 ARG C C 77 176.168 176.168 178.265 -2.097 19436 5482 1 17 . 1 1 77 77 ARG CA C 77 57.472 57.472 59.407 -1.935 19436 5483 1 17 . 1 1 77 77 ARG CB C 77 31.746 31.746 29.738 2.008 19436 5484 1 17 . 1 1 77 77 ARG H H 77 7.222 7.222 8.320 -1.098 19436 5485 1 17 . 1 1 78 78 TYR N N 78 116.126 116.126 122.417 -6.291 19436 5486 1 17 . 1 1 78 78 TYR HA H 78 5.333 5.333 4.249 1.084 19436 5487 1 17 . 1 1 78 78 TYR C C 78 172.361 172.361 177.996 -5.635 19436 5488 1 17 . 1 1 78 78 TYR CB C 78 38.546 38.546 37.959 0.587 19436 5489 1 17 . 1 1 78 78 TYR H H 78 8.823 8.823 7.816 1.007 19436 5490 1 17 . 1 1 79 79 PRO HA H 79 4.441 4.441 3.937 0.504 19436 5491 1 17 . 1 1 79 79 PRO C C 79 178.491 178.491 179.628 -1.137 19436 5492 1 17 . 1 1 79 79 PRO CA C 79 64.854 64.854 66.183 -1.329 19436 5493 1 17 . 1 1 79 79 PRO CB C 79 31.694 31.694 31.080 0.614 19436 5494 1 17 . 1 1 80 80 HIS N N 80 115.604 115.604 116.969 -1.365 19436 5495 1 17 . 1 1 80 80 HIS HA H 80 4.549 4.549 4.203 0.346 19436 5496 1 17 . 1 1 80 80 HIS C C 80 176.202 176.202 177.887 -1.685 19436 5497 1 17 . 1 1 80 80 HIS CA C 80 58.597 58.597 59.665 -1.068 19436 5498 1 17 . 1 1 80 80 HIS CB C 80 29.685 29.685 29.664 0.021 19436 5499 1 17 . 1 1 80 80 HIS H H 80 8.274 8.274 8.047 0.227 19436 5500 1 17 . 1 1 81 81 LEU N N 81 120.646 120.646 122.009 -1.363 19436 5501 1 17 . 1 1 81 81 LEU HA H 81 4.228 4.228 4.013 0.215 19436 5502 1 17 . 1 1 81 81 LEU C C 81 175.906 175.906 178.576 -2.670 19436 5503 1 17 . 1 1 81 81 LEU CA C 81 54.105 54.105 59.491 -5.386 19436 5504 1 17 . 1 1 81 81 LEU CB C 81 41.759 41.759 41.792 -0.033 19436 5505 1 17 . 1 1 81 81 LEU H H 81 7.609 7.609 8.260 -0.651 19436 5506 1 17 . 1 1 82 82 ARG N N 82 125.478 125.478 119.833 5.645 19436 5507 1 17 . 1 1 82 82 ARG C C 82 180.927 180.927 178.668 2.259 19436 5508 1 17 . 1 1 82 82 ARG H H 82 7.079 7.079 8.410 -1.331 19436 5509 1 18 . 1 1 2 2 PRO HA H 2 4.442 4.442 5.309 -0.867 19436 5510 1 18 . 1 1 2 2 PRO CA C 2 62.895 62.895 62.492 0.403 19436 5511 1 18 . 1 1 2 2 PRO CB C 2 31.958 31.958 34.226 -2.268 19436 5512 1 18 . 1 1 3 3 SER N N 3 117.584 117.584 117.214 0.370 19436 5513 1 18 . 1 1 3 3 SER H H 3 8.434 8.434 9.007 -0.573 19436 5514 1 18 . 1 1 4 4 PRO HA H 4 4.442 4.442 4.605 -0.163 19436 5515 1 18 . 1 1 4 4 PRO C C 4 176.912 176.912 175.460 1.452 19436 5516 1 18 . 1 1 4 4 PRO CA C 4 63.325 63.325 62.371 0.954 19436 5517 1 18 . 1 1 4 4 PRO CB C 4 32.011 32.011 34.192 -2.181 19436 5518 1 18 . 1 1 5 5 LEU N N 5 121.539 121.539 122.800 -1.261 19436 5519 1 18 . 1 1 5 5 LEU HA H 5 4.344 4.344 4.627 -0.283 19436 5520 1 18 . 1 1 5 5 LEU C C 5 177.549 177.549 175.087 2.462 19436 5521 1 18 . 1 1 5 5 LEU CA C 5 55.395 55.395 55.321 0.074 19436 5522 1 18 . 1 1 5 5 LEU CB C 5 42.317 42.317 43.284 -0.967 19436 5523 1 18 . 1 1 5 5 LEU H H 5 8.281 8.281 8.230 0.051 19436 5524 1 18 . 1 1 6 6 SER N N 6 116.435 116.435 119.216 -2.781 19436 5525 1 18 . 1 1 6 6 SER HA H 6 4.464 4.464 4.638 -0.174 19436 5526 1 18 . 1 1 6 6 SER C C 6 174.630 174.630 172.707 1.923 19436 5527 1 18 . 1 1 6 6 SER CA C 6 58.262 58.262 58.443 -0.180 19436 5528 1 18 . 1 1 6 6 SER CB C 6 63.883 63.883 63.444 0.439 19436 5529 1 18 . 1 1 6 6 SER H H 6 8.250 8.250 8.176 0.074 19436 5530 1 18 . 1 1 7 7 SER N N 7 117.774 117.774 119.249 -1.475 19436 5531 1 18 . 1 1 7 7 SER HA H 7 4.481 4.481 4.544 -0.063 19436 5532 1 18 . 1 1 7 7 SER C C 7 174.630 174.630 172.709 1.921 19436 5533 1 18 . 1 1 7 7 SER CA C 7 58.511 58.511 57.783 0.728 19436 5534 1 18 . 1 1 7 7 SER CB C 7 63.827 63.827 64.826 -0.999 19436 5535 1 18 . 1 1 7 7 SER H H 7 8.392 8.392 8.342 0.050 19436 5536 1 18 . 1 1 8 8 GLU N N 8 122.440 122.440 123.921 -1.481 19436 5537 1 18 . 1 1 8 8 GLU HA H 8 4.332 4.332 4.609 -0.277 19436 5538 1 18 . 1 1 8 8 GLU C C 8 176.591 176.591 174.853 1.738 19436 5539 1 18 . 1 1 8 8 GLU CA C 8 56.846 56.846 55.876 0.970 19436 5540 1 18 . 1 1 8 8 GLU CB C 8 30.125 30.125 32.796 -2.671 19436 5541 1 18 . 1 1 8 8 GLU H H 8 8.458 8.458 8.322 0.136 19436 5542 1 18 . 1 1 9 9 SER N N 9 116.179 116.179 117.948 -1.769 19436 5543 1 18 . 1 1 9 9 SER HA H 9 4.449 4.449 4.635 -0.186 19436 5544 1 18 . 1 1 9 9 SER C C 9 174.763 174.763 173.016 1.747 19436 5545 1 18 . 1 1 9 9 SER CA C 9 58.455 58.455 57.757 0.698 19436 5546 1 18 . 1 1 9 9 SER CB C 9 64.002 64.002 65.342 -1.340 19436 5547 1 18 . 1 1 9 9 SER H H 9 8.280 8.280 9.305 -1.025 19436 5548 1 18 . 1 1 10 10 GLU N N 10 122.989 122.989 122.270 0.719 19436 5549 1 18 . 1 1 10 10 GLU HA H 10 4.212 4.212 4.466 -0.254 19436 5550 1 18 . 1 1 10 10 GLU C C 10 176.344 176.344 175.202 1.142 19436 5551 1 18 . 1 1 10 10 GLU CA C 10 56.967 56.967 56.257 0.710 19436 5552 1 18 . 1 1 10 10 GLU CB C 10 30.176 30.176 31.532 -1.356 19436 5553 1 18 . 1 1 10 10 GLU H H 10 8.488 8.488 7.864 0.624 19436 5554 1 18 . 1 1 29 29 ALA N N 29 126.204 126.204 122.611 3.593 19436 5555 1 18 . 1 1 29 29 ALA HA H 29 4.487 4.487 4.500 -0.013 19436 5556 1 18 . 1 1 29 29 ALA C C 29 176.100 176.100 178.019 -1.919 19436 5557 1 18 . 1 1 29 29 ALA CA C 29 51.192 51.192 52.752 -1.560 19436 5558 1 18 . 1 1 29 29 ALA CB C 29 20.176 20.176 19.049 1.127 19436 5559 1 18 . 1 1 29 29 ALA H H 29 8.570 8.570 7.951 0.619 19436 5560 1 18 . 1 1 30 30 ALA N N 30 128.202 128.202 123.207 4.995 19436 5561 1 18 . 1 1 30 30 ALA HA H 30 4.303 4.303 4.146 0.157 19436 5562 1 18 . 1 1 30 30 ALA C C 30 176.096 176.096 177.852 -1.756 19436 5563 1 18 . 1 1 30 30 ALA CA C 30 51.956 51.956 53.394 -1.438 19436 5564 1 18 . 1 1 30 30 ALA CB C 30 18.945 18.945 19.277 -0.332 19436 5565 1 18 . 1 1 30 30 ALA H H 30 8.665 8.665 7.956 0.709 19436 5566 1 18 . 1 1 31 31 LEU N N 31 120.119 120.119 123.462 -3.343 19436 5567 1 18 . 1 1 31 31 LEU HA H 31 4.897 4.897 4.287 0.610 19436 5568 1 18 . 1 1 31 31 LEU C C 31 178.865 178.865 177.066 1.799 19436 5569 1 18 . 1 1 31 31 LEU CA C 31 52.051 52.051 55.292 -3.241 19436 5570 1 18 . 1 1 31 31 LEU CB C 31 44.147 44.147 42.909 1.238 19436 5571 1 18 . 1 1 31 31 LEU H H 31 8.034 8.034 7.727 0.307 19436 5572 1 18 . 1 1 32 32 HIS N N 32 122.302 122.302 121.656 0.646 19436 5573 1 18 . 1 1 32 32 HIS HA H 32 4.186 4.186 3.881 0.305 19436 5574 1 18 . 1 1 32 32 HIS C C 32 177.524 177.524 173.283 4.241 19436 5575 1 18 . 1 1 32 32 HIS H H 32 8.573 8.573 7.157 1.416 19436 5576 1 18 . 1 1 33 33 ALA HA H 33 4.411 4.411 4.586 -0.175 19436 5577 1 18 . 1 1 33 33 ALA CA C 33 53.433 53.433 51.061 2.372 19436 5578 1 18 . 1 1 33 33 ALA CB C 33 20.342 20.342 19.828 0.514 19436 5579 1 18 . 1 1 34 34 GLU HA H 34 4.684 4.684 4.421 0.263 19436 5580 1 18 . 1 1 34 34 GLU CA C 34 54.841 54.841 56.236 -1.395 19436 5581 1 18 . 1 1 34 34 GLU CB C 34 33.102 33.102 30.630 2.472 19436 5582 1 18 . 1 1 35 35 GLY N N 35 108.193 108.193 109.655 -1.462 19436 5583 1 18 . 1 1 35 35 GLY H H 35 8.661 8.661 8.312 0.349 19436 5584 1 18 . 1 1 36 36 PRO HA H 36 4.278 4.278 4.507 -0.229 19436 5585 1 18 . 1 1 36 36 PRO C C 36 177.885 177.885 175.647 2.238 19436 5586 1 18 . 1 1 36 36 PRO CA C 36 64.598 64.598 63.248 1.350 19436 5587 1 18 . 1 1 36 36 PRO CB C 36 31.945 31.945 32.244 -0.299 19436 5588 1 18 . 1 1 37 37 LEU N N 37 117.378 117.378 123.899 -6.521 19436 5589 1 18 . 1 1 37 37 LEU HA H 37 4.256 4.256 4.594 -0.338 19436 5590 1 18 . 1 1 37 37 LEU C C 37 174.928 174.928 175.375 -0.447 19436 5591 1 18 . 1 1 37 37 LEU CA C 37 52.682 52.682 55.055 -2.373 19436 5592 1 18 . 1 1 37 37 LEU CB C 37 40.999 40.999 43.094 -2.095 19436 5593 1 18 . 1 1 37 37 LEU H H 37 8.557 8.557 8.258 0.299 19436 5594 1 18 . 1 1 38 38 ALA N N 38 120.501 120.501 127.359 -6.858 19436 5595 1 18 . 1 1 38 38 ALA HA H 38 3.476 3.476 4.886 -1.410 19436 5596 1 18 . 1 1 38 38 ALA C C 38 178.760 178.760 175.710 3.050 19436 5597 1 18 . 1 1 38 38 ALA CA C 38 53.756 53.756 51.265 2.491 19436 5598 1 18 . 1 1 38 38 ALA CB C 38 17.949 17.949 21.525 -3.576 19436 5599 1 18 . 1 1 38 38 ALA H H 38 7.202 7.202 8.525 -1.323 19436 5600 1 18 . 1 1 39 39 GLY N N 39 108.963 108.963 109.752 -0.789 19436 5601 1 18 . 1 1 39 39 GLY C C 39 173.272 173.272 172.580 0.692 19436 5602 1 18 . 1 1 39 39 GLY CA C 39 45.183 45.183 45.074 0.109 19436 5603 1 18 . 1 1 39 39 GLY H H 39 8.942 8.942 8.865 0.077 19436 5604 1 18 . 1 1 40 40 LEU N N 40 120.080 120.080 126.716 -6.636 19436 5605 1 18 . 1 1 40 40 LEU HA H 40 4.830 4.830 4.679 0.151 19436 5606 1 18 . 1 1 40 40 LEU C C 40 174.422 174.422 174.770 -0.348 19436 5607 1 18 . 1 1 40 40 LEU CB C 40 41.282 41.282 43.201 -1.919 19436 5608 1 18 . 1 1 40 40 LEU H H 40 8.216 8.216 8.541 -0.325 19436 5609 1 18 . 1 1 41 41 PRO HA H 41 4.803 4.803 4.437 0.366 19436 5610 1 18 . 1 1 41 41 PRO CA C 41 61.528 61.528 63.221 -1.693 19436 5611 1 18 . 1 1 41 41 PRO CB C 41 31.384 31.384 32.377 -0.993 19436 5612 1 18 . 1 1 42 42 VAL N N 42 121.846 121.846 121.057 0.789 19436 5613 1 18 . 1 1 42 42 VAL HA H 42 3.510 3.510 3.924 -0.414 19436 5614 1 18 . 1 1 42 42 VAL CA C 42 65.888 65.888 62.809 3.079 19436 5615 1 18 . 1 1 42 42 VAL CB C 42 31.208 31.208 31.408 -0.200 19436 5616 1 18 . 1 1 42 42 VAL H H 42 7.784 7.784 8.421 -0.637 19436 5617 1 18 . 1 1 43 43 THR N N 43 109.158 109.158 115.342 -6.184 19436 5618 1 18 . 1 1 43 43 THR HA H 43 4.996 4.996 4.191 0.805 19436 5619 1 18 . 1 1 43 43 THR CA C 43 59.964 59.964 62.464 -2.500 19436 5620 1 18 . 1 1 43 43 THR CB C 43 12.133 12.133 67.438 -55.305 19436 5621 1 18 . 1 1 43 43 THR H H 43 8.911 8.911 8.460 0.451 19436 5622 1 18 . 1 1 44 44 ARG N N 44 120.175 120.175 117.442 2.733 19436 5623 1 18 . 1 1 44 44 ARG HA H 44 3.936 3.936 4.026 -0.090 19436 5624 1 18 . 1 1 44 44 ARG CA C 44 60.596 60.596 56.941 3.655 19436 5625 1 18 . 1 1 44 44 ARG CB C 44 29.617 29.617 29.215 0.402 19436 5626 1 18 . 1 1 44 44 ARG H H 44 9.305 9.305 8.022 1.283 19436 5627 1 18 . 1 1 45 45 SER N N 45 114.367 114.367 115.781 -1.414 19436 5628 1 18 . 1 1 45 45 SER HA H 45 4.118 4.118 4.508 -0.390 19436 5629 1 18 . 1 1 45 45 SER CA C 45 62.355 62.355 56.810 5.545 19436 5630 1 18 . 1 1 45 45 SER CB C 45 62.355 62.355 60.427 1.928 19436 5631 1 18 . 1 1 45 45 SER H H 45 8.192 8.192 8.545 -0.353 19436 5632 1 18 . 1 1 46 46 ASP N N 46 120.511 120.511 122.905 -2.394 19436 5633 1 18 . 1 1 46 46 ASP HA H 46 4.396 4.396 4.622 -0.226 19436 5634 1 18 . 1 1 46 46 ASP C C 46 177.220 177.220 174.640 2.580 19436 5635 1 18 . 1 1 46 46 ASP CA C 46 58.113 58.113 53.613 4.500 19436 5636 1 18 . 1 1 46 46 ASP CB C 46 43.287 43.287 43.056 0.231 19436 5637 1 18 . 1 1 46 46 ASP H H 46 7.354 7.354 7.981 -0.627 19436 5638 1 18 . 1 1 47 47 ALA N N 47 120.606 120.606 121.205 -0.599 19436 5639 1 18 . 1 1 47 47 ALA HA H 47 3.736 3.736 4.976 -1.240 19436 5640 1 18 . 1 1 47 47 ALA C C 47 178.603 178.603 175.606 2.997 19436 5641 1 18 . 1 1 47 47 ALA CA C 47 54.879 54.879 50.770 4.109 19436 5642 1 18 . 1 1 47 47 ALA CB C 47 19.739 19.739 20.939 -1.200 19436 5643 1 18 . 1 1 47 47 ALA H H 47 7.838 7.838 8.297 -0.459 19436 5644 1 18 . 1 1 48 48 ARG N N 48 116.233 116.233 123.582 -7.349 19436 5645 1 18 . 1 1 48 48 ARG HA H 48 3.796 3.796 4.825 -1.029 19436 5646 1 18 . 1 1 48 48 ARG C C 48 177.903 177.903 174.177 3.726 19436 5647 1 18 . 1 1 48 48 ARG CA C 48 61.517 61.517 55.500 6.017 19436 5648 1 18 . 1 1 48 48 ARG CB C 48 30.351 30.351 33.507 -3.156 19436 5649 1 18 . 1 1 48 48 ARG H H 48 8.060 8.060 9.159 -1.099 19436 5650 1 18 . 1 1 49 49 VAL N N 49 119.026 119.026 121.292 -2.266 19436 5651 1 18 . 1 1 49 49 VAL HA H 49 3.636 3.636 4.519 -0.882 19436 5652 1 18 . 1 1 49 49 VAL C C 49 177.817 177.817 173.720 4.097 19436 5653 1 18 . 1 1 49 49 VAL CA C 49 67.018 67.018 60.967 6.051 19436 5654 1 18 . 1 1 49 49 VAL CB C 49 31.821 31.821 31.631 0.190 19436 5655 1 18 . 1 1 49 49 VAL H H 49 7.413 7.413 8.308 -0.895 19436 5656 1 18 . 1 1 50 50 LEU HA H 50 4.113 4.113 4.662 -0.549 19436 5657 1 18 . 1 1 50 50 LEU C C 50 180.992 180.992 174.765 6.227 19436 5658 1 18 . 1 1 50 50 LEU CA C 50 58.382 58.382 53.723 4.659 19436 5659 1 18 . 1 1 50 50 LEU CB C 50 41.668 41.668 42.244 -0.576 19436 5660 1 18 . 1 1 51 51 ILE HA H 51 3.698 3.698 4.295 -0.597 19436 5661 1 18 . 1 1 51 51 ILE C C 51 178.708 178.708 175.386 3.322 19436 5662 1 18 . 1 1 51 51 ILE CA C 51 65.868 65.868 61.023 4.845 19436 5663 1 18 . 1 1 51 51 ILE CB C 51 38.755 38.755 38.953 -0.198 19436 5664 1 18 . 1 1 52 52 PHE N N 52 123.370 123.370 120.181 3.189 19436 5665 1 18 . 1 1 52 52 PHE HA H 52 4.174 4.174 4.376 -0.202 19436 5666 1 18 . 1 1 52 52 PHE C C 52 176.998 176.998 175.276 1.722 19436 5667 1 18 . 1 1 52 52 PHE CA C 52 62.566 62.566 58.114 4.452 19436 5668 1 18 . 1 1 52 52 PHE CB C 52 39.295 39.295 38.913 0.382 19436 5669 1 18 . 1 1 52 52 PHE H H 52 8.748 8.748 8.454 0.294 19436 5670 1 18 . 1 1 53 53 ASN N N 53 117.944 117.944 117.208 0.736 19436 5671 1 18 . 1 1 53 53 ASN HA H 53 4.478 4.478 4.484 -0.006 19436 5672 1 18 . 1 1 53 53 ASN C C 53 178.706 178.706 175.434 3.272 19436 5673 1 18 . 1 1 53 53 ASN CA C 53 56.027 56.027 53.357 2.670 19436 5674 1 18 . 1 1 53 53 ASN CB C 53 37.883 37.883 37.665 0.218 19436 5675 1 18 . 1 1 53 53 ASN H H 53 8.990 8.990 8.358 0.632 19436 5676 1 18 . 1 1 54 54 GLU N N 54 121.168 121.168 119.263 1.905 19436 5677 1 18 . 1 1 54 54 GLU HA H 54 4.123 4.123 4.100 0.023 19436 5678 1 18 . 1 1 54 54 GLU C C 54 177.753 177.753 176.675 1.078 19436 5679 1 18 . 1 1 54 54 GLU CA C 54 59.415 59.415 57.890 1.525 19436 5680 1 18 . 1 1 54 54 GLU CB C 54 30.146 30.146 29.885 0.261 19436 5681 1 18 . 1 1 54 54 GLU H H 54 8.177 8.177 8.518 -0.341 19436 5682 1 18 . 1 1 55 55 TRP N N 55 122.549 122.549 120.897 1.652 19436 5683 1 18 . 1 1 55 55 TRP HA H 55 4.018 4.018 4.712 -0.694 19436 5684 1 18 . 1 1 55 55 TRP C C 55 176.647 176.647 175.708 0.939 19436 5685 1 18 . 1 1 55 55 TRP CA C 55 61.743 61.743 57.431 4.312 19436 5686 1 18 . 1 1 55 55 TRP CB C 55 27.960 27.960 27.935 0.025 19436 5687 1 18 . 1 1 55 55 TRP H H 55 8.160 8.160 7.933 0.227 19436 5688 1 18 . 1 1 56 56 GLU N N 56 117.397 117.397 123.066 -5.669 19436 5689 1 18 . 1 1 56 56 GLU HA H 56 2.962 2.962 4.695 -1.733 19436 5690 1 18 . 1 1 56 56 GLU C C 56 178.417 178.417 174.759 3.658 19436 5691 1 18 . 1 1 56 56 GLU CA C 56 59.739 59.739 54.260 5.479 19436 5692 1 18 . 1 1 56 56 GLU CB C 56 29.601 29.601 29.165 0.436 19436 5693 1 18 . 1 1 56 56 GLU H H 56 8.558 8.558 7.828 0.730 19436 5694 1 18 . 1 1 57 57 GLU HA H 57 4.049 4.049 4.397 -0.348 19436 5695 1 18 . 1 1 57 57 GLU C C 57 179.462 179.462 176.893 2.569 19436 5696 1 18 . 1 1 57 57 GLU CA C 57 58.264 58.264 56.531 1.733 19436 5697 1 18 . 1 1 57 57 GLU CB C 57 29.826 29.826 30.060 -0.234 19436 5698 1 18 . 1 1 58 58 ARG N N 58 120.321 120.321 122.157 -1.836 19436 5699 1 18 . 1 1 58 58 ARG HA H 58 3.922 3.922 4.135 -0.213 19436 5700 1 18 . 1 1 58 58 ARG C C 58 178.832 178.832 174.523 4.309 19436 5701 1 18 . 1 1 58 58 ARG CA C 58 58.846 58.846 55.224 3.623 19436 5702 1 18 . 1 1 58 58 ARG H H 58 8.420 8.420 8.135 0.285 19436 5703 1 18 . 1 1 59 59 LYS N N 59 118.447 118.447 120.788 -2.341 19436 5704 1 18 . 1 1 59 59 LYS HA H 59 3.681 3.681 4.671 -0.990 19436 5705 1 18 . 1 1 59 59 LYS C C 59 176.846 176.846 175.305 1.541 19436 5706 1 18 . 1 1 59 59 LYS CA C 59 57.540 57.540 56.310 1.230 19436 5707 1 18 . 1 1 59 59 LYS CB C 59 30.572 30.572 33.598 -3.026 19436 5708 1 18 . 1 1 59 59 LYS H H 59 8.436 8.436 8.271 0.165 19436 5709 1 18 . 1 1 60 60 LYS N N 60 117.663 117.663 122.581 -4.918 19436 5710 1 18 . 1 1 60 60 LYS HA H 60 3.817 3.817 4.666 -0.849 19436 5711 1 18 . 1 1 60 60 LYS C C 60 177.762 177.762 175.745 2.017 19436 5712 1 18 . 1 1 60 60 LYS CA C 60 59.207 59.207 55.843 3.364 19436 5713 1 18 . 1 1 60 60 LYS CB C 60 32.269 32.269 34.169 -1.899 19436 5714 1 18 . 1 1 60 60 LYS H H 60 6.904 6.904 8.400 -1.496 19436 5715 1 18 . 1 1 61 61 SER N N 61 110.383 110.383 117.774 -7.391 19436 5716 1 18 . 1 1 61 61 SER HA H 61 4.527 4.527 4.825 -0.298 19436 5717 1 18 . 1 1 61 61 SER C C 61 174.006 174.006 172.423 1.583 19436 5718 1 18 . 1 1 61 61 SER CA C 61 58.671 58.671 57.293 1.378 19436 5719 1 18 . 1 1 61 61 SER CB C 61 64.444 64.444 66.031 -1.587 19436 5720 1 18 . 1 1 61 61 SER H H 61 7.381 7.381 8.285 -0.904 19436 5721 1 18 . 1 1 62 62 GLU N N 62 121.734 121.734 120.453 1.281 19436 5722 1 18 . 1 1 62 62 GLU HA H 62 3.681 3.681 4.777 -1.096 19436 5723 1 18 . 1 1 62 62 GLU C C 62 172.751 172.751 174.820 -2.069 19436 5724 1 18 . 1 1 62 62 GLU CA C 62 52.861 52.861 55.318 -2.457 19436 5725 1 18 . 1 1 62 62 GLU CB C 62 30.206 30.206 30.792 -0.586 19436 5726 1 18 . 1 1 62 62 GLU H H 62 7.625 7.625 9.295 -1.670 19436 5727 1 18 . 1 1 63 63 PRO HA H 63 4.267 4.267 5.017 -0.750 19436 5728 1 18 . 1 1 63 63 PRO C C 63 176.541 176.541 176.935 -0.394 19436 5729 1 18 . 1 1 63 63 PRO CA C 63 64.621 64.621 61.255 3.366 19436 5730 1 18 . 1 1 63 63 PRO CB C 63 31.452 31.452 35.641 -4.189 19436 5731 1 18 . 1 1 64 64 TRP N N 64 115.298 115.298 120.844 -5.546 19436 5732 1 18 . 1 1 64 64 TRP HA H 64 4.645 4.645 4.766 -0.121 19436 5733 1 18 . 1 1 64 64 TRP C C 64 176.530 176.530 176.524 0.006 19436 5734 1 18 . 1 1 64 64 TRP CA C 64 56.604 56.604 57.842 -1.238 19436 5735 1 18 . 1 1 64 64 TRP CB C 64 28.026 28.026 31.510 -3.484 19436 5736 1 18 . 1 1 64 64 TRP H H 64 6.837 6.837 8.650 -1.813 19436 5737 1 18 . 1 1 65 65 LEU N N 65 125.040 125.040 125.571 -0.531 19436 5738 1 18 . 1 1 65 65 LEU HA H 65 4.149 4.149 4.471 -0.322 19436 5739 1 18 . 1 1 65 65 LEU C C 65 177.528 177.528 175.347 2.181 19436 5740 1 18 . 1 1 65 65 LEU CA C 65 56.277 56.277 55.169 1.108 19436 5741 1 18 . 1 1 65 65 LEU CB C 65 43.152 43.152 42.922 0.230 19436 5742 1 18 . 1 1 65 65 LEU H H 65 7.252 7.252 8.861 -1.609 19436 5743 1 18 . 1 1 66 66 ARG N N 66 128.225 128.225 117.535 10.690 19436 5744 1 18 . 1 1 66 66 ARG HA H 66 4.578 4.578 4.500 0.078 19436 5745 1 18 . 1 1 66 66 ARG C C 66 175.757 175.757 175.851 -0.094 19436 5746 1 18 . 1 1 66 66 ARG CA C 66 55.105 55.105 54.588 0.517 19436 5747 1 18 . 1 1 66 66 ARG CB C 66 31.397 31.397 32.472 -1.075 19436 5748 1 18 . 1 1 66 66 ARG H H 66 8.892 8.892 7.921 0.971 19436 5749 1 18 . 1 1 67 67 LEU N N 67 127.896 127.896 121.331 6.565 19436 5750 1 18 . 1 1 67 67 LEU HA H 67 3.560 3.560 4.073 -0.513 19436 5751 1 18 . 1 1 67 67 LEU C C 67 175.383 175.383 175.937 -0.554 19436 5752 1 18 . 1 1 67 67 LEU CA C 67 54.595 54.595 54.535 0.060 19436 5753 1 18 . 1 1 67 67 LEU H H 67 8.328 8.328 8.398 -0.070 19436 5754 1 18 . 1 1 68 68 ASP HA H 68 4.719 4.719 4.594 0.125 19436 5755 1 18 . 1 1 68 68 ASP C C 68 174.373 174.373 175.908 -1.535 19436 5756 1 18 . 1 1 68 68 ASP CA C 68 52.936 52.936 55.647 -2.711 19436 5757 1 18 . 1 1 68 68 ASP CB C 68 41.363 41.363 40.813 0.550 19436 5758 1 18 . 1 1 69 69 MET N N 69 122.596 122.596 116.965 5.631 19436 5759 1 18 . 1 1 69 69 MET HA H 69 4.539 4.539 4.617 -0.078 19436 5760 1 18 . 1 1 69 69 MET C C 69 174.798 174.798 175.464 -0.666 19436 5761 1 18 . 1 1 69 69 MET CA C 69 53.657 53.657 54.083 -0.426 19436 5762 1 18 . 1 1 69 69 MET CB C 69 33.356 33.356 32.008 1.348 19436 5763 1 18 . 1 1 69 69 MET H H 69 8.777 8.777 7.943 0.834 19436 5764 1 18 . 1 1 70 70 SER N N 70 116.028 116.028 114.956 1.072 19436 5765 1 18 . 1 1 70 70 SER HA H 70 4.183 4.183 4.446 -0.263 19436 5766 1 18 . 1 1 70 70 SER C C 70 173.995 173.995 175.459 -1.464 19436 5767 1 18 . 1 1 70 70 SER CA C 70 58.683 58.683 59.359 -0.676 19436 5768 1 18 . 1 1 70 70 SER CB C 70 64.826 64.826 62.625 2.201 19436 5769 1 18 . 1 1 70 70 SER H H 70 8.179 8.179 7.632 0.547 19436 5770 1 18 . 1 1 71 71 ASP N N 71 121.658 121.658 125.939 -4.281 19436 5771 1 18 . 1 1 71 71 ASP HA H 71 3.788 3.788 4.395 -0.607 19436 5772 1 18 . 1 1 71 71 ASP C C 71 176.757 176.757 175.591 1.166 19436 5773 1 18 . 1 1 71 71 ASP CA C 71 57.426 57.426 54.032 3.394 19436 5774 1 18 . 1 1 71 71 ASP H H 71 8.789 8.789 9.078 -0.289 19436 5775 1 18 . 1 1 72 72 LYS N N 72 116.258 116.258 120.438 -4.180 19436 5776 1 18 . 1 1 72 72 LYS HA H 72 3.751 3.751 4.861 -1.110 19436 5777 1 18 . 1 1 72 72 LYS C C 72 178.882 178.882 174.726 4.156 19436 5778 1 18 . 1 1 72 72 LYS CA C 72 59.891 59.891 53.503 6.388 19436 5779 1 18 . 1 1 72 72 LYS CB C 72 32.195 32.195 33.362 -1.167 19436 5780 1 18 . 1 1 72 72 LYS H H 72 7.876 7.876 7.983 -0.107 19436 5781 1 18 . 1 1 73 73 ALA HA H 73 3.939 3.939 4.689 -0.750 19436 5782 1 18 . 1 1 73 73 ALA C C 73 181.112 181.112 177.403 3.709 19436 5783 1 18 . 1 1 73 73 ALA CA C 73 55.118 55.118 51.253 3.865 19436 5784 1 18 . 1 1 73 73 ALA CB C 73 17.847 17.847 19.874 -2.027 19436 5785 1 18 . 1 1 74 74 ILE N N 74 119.583 119.583 116.628 2.955 19436 5786 1 18 . 1 1 74 74 ILE HA H 74 3.477 3.477 4.473 -0.996 19436 5787 1 18 . 1 1 74 74 ILE C C 74 177.697 177.697 176.480 1.217 19436 5788 1 18 . 1 1 74 74 ILE CA C 74 66.112 66.112 61.560 4.552 19436 5789 1 18 . 1 1 74 74 ILE CB C 74 37.678 37.678 39.185 -1.507 19436 5790 1 18 . 1 1 74 74 ILE H H 74 8.119 8.119 8.128 -0.009 19436 5791 1 18 . 1 1 75 75 PHE N N 75 117.768 117.768 114.844 2.924 19436 5792 1 18 . 1 1 75 75 PHE HA H 75 4.431 4.431 4.806 -0.375 19436 5793 1 18 . 1 1 75 75 PHE C C 75 177.987 177.987 176.379 1.608 19436 5794 1 18 . 1 1 75 75 PHE CA C 75 56.968 56.968 55.011 1.957 19436 5795 1 18 . 1 1 75 75 PHE CB C 75 37.281 37.281 42.240 -4.959 19436 5796 1 18 . 1 1 75 75 PHE H H 75 8.553 8.553 8.083 0.470 19436 5797 1 18 . 1 1 76 76 ARG N N 76 117.370 117.370 121.940 -4.570 19436 5798 1 18 . 1 1 76 76 ARG HA H 76 4.059 4.059 4.011 0.048 19436 5799 1 18 . 1 1 76 76 ARG C C 76 177.520 177.520 178.361 -0.841 19436 5800 1 18 . 1 1 76 76 ARG CA C 76 58.690 58.690 60.891 -2.201 19436 5801 1 18 . 1 1 76 76 ARG CB C 76 30.417 30.417 29.851 0.566 19436 5802 1 18 . 1 1 76 76 ARG H H 76 7.532 7.532 8.758 -1.226 19436 5803 1 18 . 1 1 77 77 ARG N N 77 117.482 117.482 120.200 -2.718 19436 5804 1 18 . 1 1 77 77 ARG HA H 77 3.967 3.967 4.012 -0.045 19436 5805 1 18 . 1 1 77 77 ARG C C 77 176.168 176.168 178.298 -2.130 19436 5806 1 18 . 1 1 77 77 ARG CA C 77 57.472 57.472 59.370 -1.898 19436 5807 1 18 . 1 1 77 77 ARG CB C 77 31.746 31.746 29.722 2.024 19436 5808 1 18 . 1 1 77 77 ARG H H 77 7.222 7.222 8.282 -1.060 19436 5809 1 18 . 1 1 78 78 TYR N N 78 116.126 116.126 122.415 -6.289 19436 5810 1 18 . 1 1 78 78 TYR HA H 78 5.333 5.333 4.249 1.084 19436 5811 1 18 . 1 1 78 78 TYR C C 78 172.361 172.361 177.972 -5.611 19436 5812 1 18 . 1 1 78 78 TYR CB C 78 38.546 38.546 37.998 0.548 19436 5813 1 18 . 1 1 78 78 TYR H H 78 8.823 8.823 7.808 1.015 19436 5814 1 18 . 1 1 79 79 PRO HA H 79 4.441 4.441 3.778 0.663 19436 5815 1 18 . 1 1 79 79 PRO C C 79 178.491 178.491 178.951 -0.460 19436 5816 1 18 . 1 1 79 79 PRO CA C 79 64.854 64.854 66.344 -1.490 19436 5817 1 18 . 1 1 79 79 PRO CB C 79 31.694 31.694 31.051 0.643 19436 5818 1 18 . 1 1 80 80 HIS N N 80 115.604 115.604 117.489 -1.885 19436 5819 1 18 . 1 1 80 80 HIS HA H 80 4.549 4.549 4.228 0.321 19436 5820 1 18 . 1 1 80 80 HIS C C 80 176.202 176.202 177.569 -1.367 19436 5821 1 18 . 1 1 80 80 HIS CA C 80 58.597 58.597 59.516 -0.919 19436 5822 1 18 . 1 1 80 80 HIS CB C 80 29.685 29.685 29.801 -0.116 19436 5823 1 18 . 1 1 80 80 HIS H H 80 8.274 8.274 8.162 0.112 19436 5824 1 18 . 1 1 81 81 LEU N N 81 120.646 120.646 122.164 -1.518 19436 5825 1 18 . 1 1 81 81 LEU HA H 81 4.228 4.228 3.997 0.231 19436 5826 1 18 . 1 1 81 81 LEU C C 81 175.906 175.906 178.467 -2.561 19436 5827 1 18 . 1 1 81 81 LEU CA C 81 54.105 54.105 59.761 -5.656 19436 5828 1 18 . 1 1 81 81 LEU CB C 81 41.759 41.759 41.811 -0.052 19436 5829 1 18 . 1 1 81 81 LEU H H 81 7.609 7.609 8.285 -0.676 19436 5830 1 18 . 1 1 82 82 ARG N N 82 125.478 125.478 119.758 5.720 19436 5831 1 18 . 1 1 82 82 ARG C C 82 180.927 180.927 178.966 1.961 19436 5832 1 18 . 1 1 82 82 ARG H H 82 7.079 7.079 8.484 -1.405 19436 5833 1 19 . 1 1 2 2 PRO HA H 2 4.442 4.442 4.642 -0.200 19436 5834 1 19 . 1 1 2 2 PRO CA C 2 62.895 62.895 62.887 0.008 19436 5835 1 19 . 1 1 2 2 PRO CB C 2 31.958 31.958 33.114 -1.156 19436 5836 1 19 . 1 1 3 3 SER N N 3 117.584 117.584 118.859 -1.275 19436 5837 1 19 . 1 1 3 3 SER H H 3 8.434 8.434 8.844 -0.410 19436 5838 1 19 . 1 1 4 4 PRO HA H 4 4.442 4.442 3.850 0.592 19436 5839 1 19 . 1 1 4 4 PRO C C 4 176.912 176.912 175.591 1.321 19436 5840 1 19 . 1 1 4 4 PRO CA C 4 63.325 63.325 63.875 -0.550 19436 5841 1 19 . 1 1 4 4 PRO CB C 4 32.011 32.011 31.519 0.492 19436 5842 1 19 . 1 1 5 5 LEU N N 5 121.539 121.539 120.741 0.798 19436 5843 1 19 . 1 1 5 5 LEU HA H 5 4.344 4.344 4.931 -0.587 19436 5844 1 19 . 1 1 5 5 LEU C C 5 177.549 177.549 175.771 1.778 19436 5845 1 19 . 1 1 5 5 LEU CA C 5 55.395 55.395 54.533 0.862 19436 5846 1 19 . 1 1 5 5 LEU CB C 5 42.317 42.317 44.128 -1.811 19436 5847 1 19 . 1 1 5 5 LEU H H 5 8.281 8.281 8.649 -0.368 19436 5848 1 19 . 1 1 6 6 SER N N 6 116.435 116.435 115.782 0.653 19436 5849 1 19 . 1 1 6 6 SER HA H 6 4.464 4.464 4.849 -0.385 19436 5850 1 19 . 1 1 6 6 SER C C 6 174.630 174.630 172.842 1.788 19436 5851 1 19 . 1 1 6 6 SER CA C 6 58.262 58.262 57.677 0.585 19436 5852 1 19 . 1 1 6 6 SER CB C 6 63.883 63.883 64.806 -0.924 19436 5853 1 19 . 1 1 6 6 SER H H 6 8.250 8.250 8.841 -0.591 19436 5854 1 19 . 1 1 7 7 SER N N 7 117.774 117.774 116.908 0.866 19436 5855 1 19 . 1 1 7 7 SER HA H 7 4.481 4.481 4.621 -0.140 19436 5856 1 19 . 1 1 7 7 SER C C 7 174.630 174.630 172.985 1.645 19436 5857 1 19 . 1 1 7 7 SER CA C 7 58.511 58.511 57.486 1.025 19436 5858 1 19 . 1 1 7 7 SER CB C 7 63.827 63.827 65.827 -2.000 19436 5859 1 19 . 1 1 7 7 SER H H 7 8.392 8.392 8.491 -0.099 19436 5860 1 19 . 1 1 8 8 GLU N N 8 122.440 122.440 118.797 3.643 19436 5861 1 19 . 1 1 8 8 GLU HA H 8 4.332 4.332 4.759 -0.427 19436 5862 1 19 . 1 1 8 8 GLU C C 8 176.591 176.591 174.933 1.658 19436 5863 1 19 . 1 1 8 8 GLU CA C 8 56.846 56.846 55.716 1.130 19436 5864 1 19 . 1 1 8 8 GLU CB C 8 30.125 30.125 32.797 -2.672 19436 5865 1 19 . 1 1 8 8 GLU H H 8 8.458 8.458 8.643 -0.185 19436 5866 1 19 . 1 1 9 9 SER N N 9 116.179 116.179 116.149 0.030 19436 5867 1 19 . 1 1 9 9 SER HA H 9 4.449 4.449 4.761 -0.312 19436 5868 1 19 . 1 1 9 9 SER C C 9 174.763 174.763 172.893 1.870 19436 5869 1 19 . 1 1 9 9 SER CA C 9 58.455 58.455 57.414 1.041 19436 5870 1 19 . 1 1 9 9 SER CB C 9 64.002 64.002 65.707 -1.705 19436 5871 1 19 . 1 1 9 9 SER H H 9 8.280 8.280 9.525 -1.245 19436 5872 1 19 . 1 1 10 10 GLU N N 10 122.989 122.989 121.011 1.978 19436 5873 1 19 . 1 1 10 10 GLU HA H 10 4.212 4.212 4.920 -0.708 19436 5874 1 19 . 1 1 10 10 GLU C C 10 176.344 176.344 174.397 1.947 19436 5875 1 19 . 1 1 10 10 GLU CA C 10 56.967 56.967 55.517 1.450 19436 5876 1 19 . 1 1 10 10 GLU CB C 10 30.176 30.176 32.481 -2.305 19436 5877 1 19 . 1 1 10 10 GLU H H 10 8.488 8.488 8.341 0.147 19436 5878 1 19 . 1 1 29 29 ALA N N 29 126.204 126.204 122.548 3.656 19436 5879 1 19 . 1 1 29 29 ALA HA H 29 4.487 4.487 4.871 -0.384 19436 5880 1 19 . 1 1 29 29 ALA C C 29 176.100 176.100 176.961 -0.861 19436 5881 1 19 . 1 1 29 29 ALA CA C 29 51.192 51.192 51.889 -0.697 19436 5882 1 19 . 1 1 29 29 ALA CB C 29 20.176 20.176 21.276 -1.100 19436 5883 1 19 . 1 1 29 29 ALA H H 29 8.570 8.570 8.185 0.385 19436 5884 1 19 . 1 1 30 30 ALA N N 30 128.202 128.202 124.907 3.295 19436 5885 1 19 . 1 1 30 30 ALA HA H 30 4.303 4.303 4.262 0.041 19436 5886 1 19 . 1 1 30 30 ALA C C 30 176.096 176.096 177.714 -1.618 19436 5887 1 19 . 1 1 30 30 ALA CA C 30 51.956 51.956 52.929 -0.973 19436 5888 1 19 . 1 1 30 30 ALA CB C 30 18.945 18.945 18.933 0.012 19436 5889 1 19 . 1 1 30 30 ALA H H 30 8.665 8.665 8.255 0.410 19436 5890 1 19 . 1 1 31 31 LEU N N 31 120.119 120.119 122.167 -2.048 19436 5891 1 19 . 1 1 31 31 LEU HA H 31 4.897 4.897 4.176 0.721 19436 5892 1 19 . 1 1 31 31 LEU C C 31 178.865 178.865 176.129 2.736 19436 5893 1 19 . 1 1 31 31 LEU CA C 31 52.051 52.051 54.435 -2.384 19436 5894 1 19 . 1 1 31 31 LEU CB C 31 44.147 44.147 41.844 2.303 19436 5895 1 19 . 1 1 31 31 LEU H H 31 8.034 8.034 7.821 0.213 19436 5896 1 19 . 1 1 32 32 HIS N N 32 122.302 122.302 118.030 4.272 19436 5897 1 19 . 1 1 32 32 HIS HA H 32 4.186 4.186 4.444 -0.258 19436 5898 1 19 . 1 1 32 32 HIS C C 32 177.524 177.524 173.589 3.935 19436 5899 1 19 . 1 1 32 32 HIS H H 32 8.573 8.573 8.237 0.336 19436 5900 1 19 . 1 1 33 33 ALA HA H 33 4.411 4.411 4.477 -0.066 19436 5901 1 19 . 1 1 33 33 ALA CA C 33 53.433 53.433 50.877 2.556 19436 5902 1 19 . 1 1 33 33 ALA CB C 33 20.342 20.342 18.983 1.359 19436 5903 1 19 . 1 1 34 34 GLU HA H 34 4.684 4.684 4.665 0.019 19436 5904 1 19 . 1 1 34 34 GLU CA C 34 54.841 54.841 56.317 -1.476 19436 5905 1 19 . 1 1 34 34 GLU CB C 34 33.102 33.102 30.695 2.407 19436 5906 1 19 . 1 1 35 35 GLY N N 35 108.193 108.193 108.162 0.031 19436 5907 1 19 . 1 1 35 35 GLY H H 35 8.661 8.661 8.428 0.233 19436 5908 1 19 . 1 1 36 36 PRO HA H 36 4.278 4.278 4.674 -0.396 19436 5909 1 19 . 1 1 36 36 PRO C C 36 177.885 177.885 175.763 2.122 19436 5910 1 19 . 1 1 36 36 PRO CA C 36 64.598 64.598 63.063 1.535 19436 5911 1 19 . 1 1 36 36 PRO CB C 36 31.945 31.945 32.901 -0.956 19436 5912 1 19 . 1 1 37 37 LEU N N 37 117.378 117.378 122.696 -5.318 19436 5913 1 19 . 1 1 37 37 LEU HA H 37 4.256 4.256 4.824 -0.568 19436 5914 1 19 . 1 1 37 37 LEU C C 37 174.928 174.928 176.714 -1.786 19436 5915 1 19 . 1 1 37 37 LEU CA C 37 52.682 52.682 54.316 -1.633 19436 5916 1 19 . 1 1 37 37 LEU CB C 37 40.999 40.999 44.624 -3.625 19436 5917 1 19 . 1 1 37 37 LEU H H 37 8.557 8.557 8.815 -0.258 19436 5918 1 19 . 1 1 38 38 ALA N N 38 120.501 120.501 123.678 -3.177 19436 5919 1 19 . 1 1 38 38 ALA HA H 38 3.476 3.476 4.956 -1.480 19436 5920 1 19 . 1 1 38 38 ALA C C 38 178.760 178.760 175.677 3.083 19436 5921 1 19 . 1 1 38 38 ALA CA C 38 53.756 53.756 51.196 2.560 19436 5922 1 19 . 1 1 38 38 ALA CB C 38 17.949 17.949 21.641 -3.692 19436 5923 1 19 . 1 1 38 38 ALA H H 38 7.202 7.202 8.541 -1.339 19436 5924 1 19 . 1 1 39 39 GLY N N 39 108.963 108.963 109.047 -0.084 19436 5925 1 19 . 1 1 39 39 GLY C C 39 173.272 173.272 172.959 0.313 19436 5926 1 19 . 1 1 39 39 GLY CA C 39 45.183 45.183 44.992 0.190 19436 5927 1 19 . 1 1 39 39 GLY H H 39 8.942 8.942 8.419 0.523 19436 5928 1 19 . 1 1 40 40 LEU N N 40 120.080 120.080 123.471 -3.391 19436 5929 1 19 . 1 1 40 40 LEU HA H 40 4.830 4.830 4.571 0.259 19436 5930 1 19 . 1 1 40 40 LEU C C 40 174.422 174.422 175.263 -0.841 19436 5931 1 19 . 1 1 40 40 LEU CB C 40 41.282 41.282 43.436 -2.154 19436 5932 1 19 . 1 1 40 40 LEU H H 40 8.216 8.216 8.384 -0.168 19436 5933 1 19 . 1 1 41 41 PRO HA H 41 4.803 4.803 4.684 0.119 19436 5934 1 19 . 1 1 41 41 PRO CA C 41 61.528 61.528 63.340 -1.812 19436 5935 1 19 . 1 1 41 41 PRO CB C 41 31.384 31.384 33.006 -1.622 19436 5936 1 19 . 1 1 42 42 VAL N N 42 121.846 121.846 123.500 -1.654 19436 5937 1 19 . 1 1 42 42 VAL HA H 42 3.510 3.510 4.163 -0.653 19436 5938 1 19 . 1 1 42 42 VAL CA C 42 65.888 65.888 62.378 3.510 19436 5939 1 19 . 1 1 42 42 VAL CB C 42 31.208 31.208 32.436 -1.228 19436 5940 1 19 . 1 1 42 42 VAL H H 42 7.784 7.784 8.670 -0.886 19436 5941 1 19 . 1 1 43 43 THR N N 43 109.158 109.158 115.358 -6.200 19436 5942 1 19 . 1 1 43 43 THR HA H 43 4.996 4.996 4.130 0.866 19436 5943 1 19 . 1 1 43 43 THR CA C 43 59.964 59.964 63.916 -3.952 19436 5944 1 19 . 1 1 43 43 THR CB C 43 12.133 12.133 68.520 -56.387 19436 5945 1 19 . 1 1 43 43 THR H H 43 8.911 8.911 8.590 0.321 19436 5946 1 19 . 1 1 44 44 ARG N N 44 120.175 120.175 117.689 2.486 19436 5947 1 19 . 1 1 44 44 ARG HA H 44 3.936 3.936 4.710 -0.774 19436 5948 1 19 . 1 1 44 44 ARG CA C 44 60.596 60.596 55.526 5.070 19436 5949 1 19 . 1 1 44 44 ARG CB C 44 29.617 29.617 31.276 -1.659 19436 5950 1 19 . 1 1 44 44 ARG H H 44 9.305 9.305 8.139 1.166 19436 5951 1 19 . 1 1 45 45 SER N N 45 114.367 114.367 118.211 -3.844 19436 5952 1 19 . 1 1 45 45 SER HA H 45 4.118 4.118 4.464 -0.346 19436 5953 1 19 . 1 1 45 45 SER CA C 45 62.355 62.355 57.634 4.721 19436 5954 1 19 . 1 1 45 45 SER CB C 45 62.355 62.355 60.325 2.030 19436 5955 1 19 . 1 1 45 45 SER H H 45 8.192 8.192 7.737 0.455 19436 5956 1 19 . 1 1 46 46 ASP N N 46 120.511 120.511 122.149 -1.638 19436 5957 1 19 . 1 1 46 46 ASP HA H 46 4.396 4.396 4.480 -0.084 19436 5958 1 19 . 1 1 46 46 ASP C C 46 177.220 177.220 175.354 1.866 19436 5959 1 19 . 1 1 46 46 ASP CA C 46 58.113 58.113 54.514 3.599 19436 5960 1 19 . 1 1 46 46 ASP CB C 46 43.287 43.287 42.684 0.603 19436 5961 1 19 . 1 1 46 46 ASP H H 46 7.354 7.354 7.810 -0.456 19436 5962 1 19 . 1 1 47 47 ALA N N 47 120.606 120.606 122.478 -1.872 19436 5963 1 19 . 1 1 47 47 ALA HA H 47 3.736 3.736 4.614 -0.878 19436 5964 1 19 . 1 1 47 47 ALA C C 47 178.603 178.603 177.420 1.183 19436 5965 1 19 . 1 1 47 47 ALA CA C 47 54.879 54.879 51.318 3.561 19436 5966 1 19 . 1 1 47 47 ALA CB C 47 19.739 19.739 17.183 2.557 19436 5967 1 19 . 1 1 47 47 ALA H H 47 7.838 7.838 7.754 0.084 19436 5968 1 19 . 1 1 48 48 ARG N N 48 116.233 116.233 121.046 -4.813 19436 5969 1 19 . 1 1 48 48 ARG HA H 48 3.796 3.796 4.482 -0.686 19436 5970 1 19 . 1 1 48 48 ARG C C 48 177.903 177.903 176.224 1.679 19436 5971 1 19 . 1 1 48 48 ARG CA C 48 61.517 61.517 56.645 4.872 19436 5972 1 19 . 1 1 48 48 ARG CB C 48 30.351 30.351 30.796 -0.445 19436 5973 1 19 . 1 1 48 48 ARG H H 48 8.060 8.060 8.344 -0.284 19436 5974 1 19 . 1 1 49 49 VAL N N 49 119.026 119.026 117.636 1.390 19436 5975 1 19 . 1 1 49 49 VAL HA H 49 3.636 3.636 4.539 -0.903 19436 5976 1 19 . 1 1 49 49 VAL C C 49 177.817 177.817 174.617 3.200 19436 5977 1 19 . 1 1 49 49 VAL CA C 49 67.018 67.018 59.173 7.845 19436 5978 1 19 . 1 1 49 49 VAL CB C 49 31.821 31.821 31.658 0.163 19436 5979 1 19 . 1 1 49 49 VAL H H 49 7.413 7.413 7.797 -0.384 19436 5980 1 19 . 1 1 50 50 LEU HA H 50 4.113 4.113 4.512 -0.399 19436 5981 1 19 . 1 1 50 50 LEU C C 50 180.992 180.992 174.931 6.061 19436 5982 1 19 . 1 1 50 50 LEU CA C 50 58.382 58.382 53.629 4.753 19436 5983 1 19 . 1 1 50 50 LEU CB C 50 41.668 41.668 41.776 -0.108 19436 5984 1 19 . 1 1 51 51 ILE HA H 51 3.698 3.698 4.324 -0.626 19436 5985 1 19 . 1 1 51 51 ILE C C 51 178.708 178.708 174.816 3.892 19436 5986 1 19 . 1 1 51 51 ILE CA C 51 65.868 65.868 61.339 4.529 19436 5987 1 19 . 1 1 51 51 ILE CB C 51 38.755 38.755 38.427 0.328 19436 5988 1 19 . 1 1 52 52 PHE N N 52 123.370 123.370 122.358 1.012 19436 5989 1 19 . 1 1 52 52 PHE HA H 52 4.174 4.174 4.622 -0.448 19436 5990 1 19 . 1 1 52 52 PHE C C 52 176.998 176.998 174.866 2.132 19436 5991 1 19 . 1 1 52 52 PHE CA C 52 62.566 62.566 57.345 5.221 19436 5992 1 19 . 1 1 52 52 PHE CB C 52 39.295 39.295 39.726 -0.431 19436 5993 1 19 . 1 1 52 52 PHE H H 52 8.748 8.748 7.791 0.957 19436 5994 1 19 . 1 1 53 53 ASN N N 53 117.944 117.944 117.111 0.833 19436 5995 1 19 . 1 1 53 53 ASN HA H 53 4.478 4.478 4.427 0.051 19436 5996 1 19 . 1 1 53 53 ASN C C 53 178.706 178.706 173.852 4.854 19436 5997 1 19 . 1 1 53 53 ASN CA C 53 56.027 56.027 54.103 1.924 19436 5998 1 19 . 1 1 53 53 ASN CB C 53 37.883 37.883 37.819 0.064 19436 5999 1 19 . 1 1 53 53 ASN H H 53 8.990 8.990 8.782 0.208 19436 6000 1 19 . 1 1 54 54 GLU N N 54 121.168 121.168 117.902 3.266 19436 6001 1 19 . 1 1 54 54 GLU HA H 54 4.123 4.123 4.412 -0.289 19436 6002 1 19 . 1 1 54 54 GLU C C 54 177.753 177.753 175.367 2.386 19436 6003 1 19 . 1 1 54 54 GLU CA C 54 59.415 59.415 55.786 3.629 19436 6004 1 19 . 1 1 54 54 GLU CB C 54 30.146 30.146 29.647 0.499 19436 6005 1 19 . 1 1 54 54 GLU H H 54 8.177 8.177 8.293 -0.116 19436 6006 1 19 . 1 1 55 55 TRP N N 55 122.549 122.549 126.206 -3.657 19436 6007 1 19 . 1 1 55 55 TRP HA H 55 4.018 4.018 4.888 -0.870 19436 6008 1 19 . 1 1 55 55 TRP C C 55 176.647 176.647 175.282 1.365 19436 6009 1 19 . 1 1 55 55 TRP CA C 55 61.743 61.743 57.973 3.770 19436 6010 1 19 . 1 1 55 55 TRP CB C 55 27.960 27.960 30.470 -2.510 19436 6011 1 19 . 1 1 55 55 TRP H H 55 8.160 8.160 8.532 -0.372 19436 6012 1 19 . 1 1 56 56 GLU N N 56 117.397 117.397 120.026 -2.629 19436 6013 1 19 . 1 1 56 56 GLU HA H 56 2.962 2.962 4.610 -1.648 19436 6014 1 19 . 1 1 56 56 GLU C C 56 178.417 178.417 174.252 4.165 19436 6015 1 19 . 1 1 56 56 GLU CA C 56 59.739 59.739 54.726 5.013 19436 6016 1 19 . 1 1 56 56 GLU CB C 56 29.601 29.601 31.476 -1.875 19436 6017 1 19 . 1 1 56 56 GLU H H 56 8.558 8.558 8.097 0.461 19436 6018 1 19 . 1 1 57 57 GLU HA H 57 4.049 4.049 4.461 -0.412 19436 6019 1 19 . 1 1 57 57 GLU C C 57 179.462 179.462 175.799 3.663 19436 6020 1 19 . 1 1 57 57 GLU CA C 57 58.264 58.264 56.198 2.066 19436 6021 1 19 . 1 1 57 57 GLU CB C 57 29.826 29.826 28.110 1.716 19436 6022 1 19 . 1 1 58 58 ARG N N 58 120.321 120.321 123.253 -2.932 19436 6023 1 19 . 1 1 58 58 ARG HA H 58 3.922 3.922 4.097 -0.175 19436 6024 1 19 . 1 1 58 58 ARG C C 58 178.832 178.832 174.344 4.488 19436 6025 1 19 . 1 1 58 58 ARG CA C 58 58.846 58.846 56.003 2.843 19436 6026 1 19 . 1 1 58 58 ARG H H 58 8.420 8.420 8.111 0.309 19436 6027 1 19 . 1 1 59 59 LYS N N 59 118.447 118.447 121.502 -3.055 19436 6028 1 19 . 1 1 59 59 LYS HA H 59 3.681 3.681 4.661 -0.980 19436 6029 1 19 . 1 1 59 59 LYS C C 59 176.846 176.846 175.248 1.598 19436 6030 1 19 . 1 1 59 59 LYS CA C 59 57.540 57.540 55.839 1.701 19436 6031 1 19 . 1 1 59 59 LYS CB C 59 30.572 30.572 34.345 -3.773 19436 6032 1 19 . 1 1 59 59 LYS H H 59 8.436 8.436 8.294 0.142 19436 6033 1 19 . 1 1 60 60 LYS N N 60 117.663 117.663 120.099 -2.436 19436 6034 1 19 . 1 1 60 60 LYS HA H 60 3.817 3.817 4.603 -0.786 19436 6035 1 19 . 1 1 60 60 LYS C C 60 177.762 177.762 176.169 1.593 19436 6036 1 19 . 1 1 60 60 LYS CA C 60 59.207 59.207 56.058 3.149 19436 6037 1 19 . 1 1 60 60 LYS CB C 60 32.269 32.269 33.691 -1.422 19436 6038 1 19 . 1 1 60 60 LYS H H 60 6.904 6.904 8.423 -1.519 19436 6039 1 19 . 1 1 61 61 SER N N 61 110.383 110.383 115.529 -5.146 19436 6040 1 19 . 1 1 61 61 SER HA H 61 4.527 4.527 5.094 -0.567 19436 6041 1 19 . 1 1 61 61 SER C C 61 174.006 174.006 172.822 1.184 19436 6042 1 19 . 1 1 61 61 SER CA C 61 58.671 58.671 57.191 1.480 19436 6043 1 19 . 1 1 61 61 SER CB C 61 64.444 64.444 65.467 -1.023 19436 6044 1 19 . 1 1 61 61 SER H H 61 7.381 7.381 8.428 -1.047 19436 6045 1 19 . 1 1 62 62 GLU N N 62 121.734 121.734 122.511 -0.777 19436 6046 1 19 . 1 1 62 62 GLU HA H 62 3.681 3.681 4.658 -0.977 19436 6047 1 19 . 1 1 62 62 GLU C C 62 172.751 172.751 174.635 -1.884 19436 6048 1 19 . 1 1 62 62 GLU CA C 62 52.861 52.861 55.621 -2.760 19436 6049 1 19 . 1 1 62 62 GLU CB C 62 30.206 30.206 30.777 -0.571 19436 6050 1 19 . 1 1 62 62 GLU H H 62 7.625 7.625 9.458 -1.833 19436 6051 1 19 . 1 1 63 63 PRO HA H 63 4.267 4.267 5.071 -0.804 19436 6052 1 19 . 1 1 63 63 PRO C C 63 176.541 176.541 176.919 -0.378 19436 6053 1 19 . 1 1 63 63 PRO CA C 63 64.621 64.621 61.662 2.959 19436 6054 1 19 . 1 1 63 63 PRO CB C 63 31.452 31.452 35.800 -4.348 19436 6055 1 19 . 1 1 64 64 TRP N N 64 115.298 115.298 121.012 -5.714 19436 6056 1 19 . 1 1 64 64 TRP HA H 64 4.645 4.645 4.797 -0.152 19436 6057 1 19 . 1 1 64 64 TRP C C 64 176.530 176.530 176.352 0.178 19436 6058 1 19 . 1 1 64 64 TRP CA C 64 56.604 56.604 57.703 -1.099 19436 6059 1 19 . 1 1 64 64 TRP CB C 64 28.026 28.026 31.560 -3.534 19436 6060 1 19 . 1 1 64 64 TRP H H 64 6.837 6.837 8.538 -1.701 19436 6061 1 19 . 1 1 65 65 LEU N N 65 125.040 125.040 125.608 -0.568 19436 6062 1 19 . 1 1 65 65 LEU HA H 65 4.149 4.149 4.488 -0.339 19436 6063 1 19 . 1 1 65 65 LEU C C 65 177.528 177.528 175.857 1.671 19436 6064 1 19 . 1 1 65 65 LEU CA C 65 56.277 56.277 55.291 0.986 19436 6065 1 19 . 1 1 65 65 LEU CB C 65 43.152 43.152 43.096 0.056 19436 6066 1 19 . 1 1 65 65 LEU H H 65 7.252 7.252 8.851 -1.599 19436 6067 1 19 . 1 1 66 66 ARG N N 66 128.225 128.225 117.563 10.662 19436 6068 1 19 . 1 1 66 66 ARG HA H 66 4.578 4.578 4.521 0.057 19436 6069 1 19 . 1 1 66 66 ARG C C 66 175.757 175.757 175.778 -0.021 19436 6070 1 19 . 1 1 66 66 ARG CA C 66 55.105 55.105 54.733 0.372 19436 6071 1 19 . 1 1 66 66 ARG CB C 66 31.397 31.397 33.446 -2.049 19436 6072 1 19 . 1 1 66 66 ARG H H 66 8.892 8.892 7.941 0.951 19436 6073 1 19 . 1 1 67 67 LEU N N 67 127.896 127.896 121.915 5.981 19436 6074 1 19 . 1 1 67 67 LEU HA H 67 3.560 3.560 4.087 -0.527 19436 6075 1 19 . 1 1 67 67 LEU C C 67 175.383 175.383 175.659 -0.276 19436 6076 1 19 . 1 1 67 67 LEU CA C 67 54.595 54.595 54.662 -0.067 19436 6077 1 19 . 1 1 67 67 LEU H H 67 8.328 8.328 8.354 -0.026 19436 6078 1 19 . 1 1 68 68 ASP HA H 68 4.719 4.719 4.592 0.127 19436 6079 1 19 . 1 1 68 68 ASP C C 68 174.373 174.373 175.900 -1.527 19436 6080 1 19 . 1 1 68 68 ASP CA C 68 52.936 52.936 55.657 -2.721 19436 6081 1 19 . 1 1 68 68 ASP CB C 68 41.363 41.363 40.815 0.548 19436 6082 1 19 . 1 1 69 69 MET N N 69 122.596 122.596 116.912 5.684 19436 6083 1 19 . 1 1 69 69 MET HA H 69 4.539 4.539 4.619 -0.080 19436 6084 1 19 . 1 1 69 69 MET C C 69 174.798 174.798 175.486 -0.688 19436 6085 1 19 . 1 1 69 69 MET CA C 69 53.657 53.657 54.080 -0.423 19436 6086 1 19 . 1 1 69 69 MET CB C 69 33.356 33.356 31.978 1.378 19436 6087 1 19 . 1 1 69 69 MET H H 69 8.777 8.777 7.959 0.818 19436 6088 1 19 . 1 1 70 70 SER N N 70 116.028 116.028 114.988 1.040 19436 6089 1 19 . 1 1 70 70 SER HA H 70 4.183 4.183 4.452 -0.269 19436 6090 1 19 . 1 1 70 70 SER C C 70 173.995 173.995 175.468 -1.473 19436 6091 1 19 . 1 1 70 70 SER CA C 70 58.683 58.683 59.339 -0.656 19436 6092 1 19 . 1 1 70 70 SER CB C 70 64.826 64.826 62.627 2.199 19436 6093 1 19 . 1 1 70 70 SER H H 70 8.179 8.179 7.571 0.608 19436 6094 1 19 . 1 1 71 71 ASP N N 71 121.658 121.658 124.994 -3.336 19436 6095 1 19 . 1 1 71 71 ASP HA H 71 3.788 3.788 4.381 -0.593 19436 6096 1 19 . 1 1 71 71 ASP C C 71 176.757 176.757 175.909 0.848 19436 6097 1 19 . 1 1 71 71 ASP CA C 71 57.426 57.426 54.010 3.416 19436 6098 1 19 . 1 1 71 71 ASP H H 71 8.789 8.789 8.948 -0.159 19436 6099 1 19 . 1 1 72 72 LYS N N 72 116.258 116.258 121.219 -4.961 19436 6100 1 19 . 1 1 72 72 LYS HA H 72 3.751 3.751 4.860 -1.109 19436 6101 1 19 . 1 1 72 72 LYS C C 72 178.882 178.882 174.606 4.276 19436 6102 1 19 . 1 1 72 72 LYS CA C 72 59.891 59.891 53.208 6.683 19436 6103 1 19 . 1 1 72 72 LYS CB C 72 32.195 32.195 32.962 -0.767 19436 6104 1 19 . 1 1 72 72 LYS H H 72 7.876 7.876 7.887 -0.011 19436 6105 1 19 . 1 1 73 73 ALA HA H 73 3.939 3.939 4.717 -0.778 19436 6106 1 19 . 1 1 73 73 ALA C C 73 181.112 181.112 177.523 3.589 19436 6107 1 19 . 1 1 73 73 ALA CA C 73 55.118 55.118 51.238 3.880 19436 6108 1 19 . 1 1 73 73 ALA CB C 73 17.847 17.847 19.785 -1.938 19436 6109 1 19 . 1 1 74 74 ILE N N 74 119.583 119.583 116.265 3.318 19436 6110 1 19 . 1 1 74 74 ILE HA H 74 3.477 3.477 4.471 -0.994 19436 6111 1 19 . 1 1 74 74 ILE C C 74 177.697 177.697 176.372 1.325 19436 6112 1 19 . 1 1 74 74 ILE CA C 74 66.112 66.112 61.342 4.770 19436 6113 1 19 . 1 1 74 74 ILE CB C 74 37.678 37.678 39.165 -1.487 19436 6114 1 19 . 1 1 74 74 ILE H H 74 8.119 8.119 8.401 -0.282 19436 6115 1 19 . 1 1 75 75 PHE N N 75 117.768 117.768 114.579 3.189 19436 6116 1 19 . 1 1 75 75 PHE HA H 75 4.431 4.431 4.799 -0.368 19436 6117 1 19 . 1 1 75 75 PHE C C 75 177.987 177.987 176.048 1.939 19436 6118 1 19 . 1 1 75 75 PHE CA C 75 56.968 56.968 54.972 1.996 19436 6119 1 19 . 1 1 75 75 PHE CB C 75 37.281 37.281 42.256 -4.975 19436 6120 1 19 . 1 1 75 75 PHE H H 75 8.553 8.553 8.055 0.498 19436 6121 1 19 . 1 1 76 76 ARG N N 76 117.370 117.370 122.091 -4.721 19436 6122 1 19 . 1 1 76 76 ARG HA H 76 4.059 4.059 4.038 0.021 19436 6123 1 19 . 1 1 76 76 ARG C C 76 177.520 177.520 177.801 -0.281 19436 6124 1 19 . 1 1 76 76 ARG CA C 76 58.690 58.690 60.286 -1.596 19436 6125 1 19 . 1 1 76 76 ARG CB C 76 30.417 30.417 30.158 0.259 19436 6126 1 19 . 1 1 76 76 ARG H H 76 7.532 7.532 8.811 -1.279 19436 6127 1 19 . 1 1 77 77 ARG N N 77 117.482 117.482 118.316 -0.834 19436 6128 1 19 . 1 1 77 77 ARG HA H 77 3.967 3.967 4.036 -0.069 19436 6129 1 19 . 1 1 77 77 ARG C C 77 176.168 176.168 178.143 -1.975 19436 6130 1 19 . 1 1 77 77 ARG CA C 77 57.472 57.472 58.876 -1.404 19436 6131 1 19 . 1 1 77 77 ARG CB C 77 31.746 31.746 29.684 2.062 19436 6132 1 19 . 1 1 77 77 ARG H H 77 7.222 7.222 8.255 -1.033 19436 6133 1 19 . 1 1 78 78 TYR N N 78 116.126 116.126 124.064 -7.938 19436 6134 1 19 . 1 1 78 78 TYR HA H 78 5.333 5.333 4.230 1.103 19436 6135 1 19 . 1 1 78 78 TYR C C 78 172.361 172.361 178.030 -5.669 19436 6136 1 19 . 1 1 78 78 TYR CB C 78 38.546 38.546 37.971 0.575 19436 6137 1 19 . 1 1 78 78 TYR H H 78 8.823 8.823 7.953 0.870 19436 6138 1 19 . 1 1 79 79 PRO HA H 79 4.441 4.441 3.967 0.474 19436 6139 1 19 . 1 1 79 79 PRO C C 79 178.491 178.491 179.666 -1.175 19436 6140 1 19 . 1 1 79 79 PRO CA C 79 64.854 64.854 66.140 -1.286 19436 6141 1 19 . 1 1 79 79 PRO CB C 79 31.694 31.694 31.043 0.652 19436 6142 1 19 . 1 1 80 80 HIS N N 80 115.604 115.604 116.656 -1.052 19436 6143 1 19 . 1 1 80 80 HIS HA H 80 4.549 4.549 4.272 0.277 19436 6144 1 19 . 1 1 80 80 HIS C C 80 176.202 176.202 177.931 -1.729 19436 6145 1 19 . 1 1 80 80 HIS CA C 80 58.597 58.597 58.664 -0.067 19436 6146 1 19 . 1 1 80 80 HIS CB C 80 29.685 29.685 29.283 0.402 19436 6147 1 19 . 1 1 80 80 HIS H H 80 8.274 8.274 8.023 0.251 19436 6148 1 19 . 1 1 81 81 LEU N N 81 120.646 120.646 122.156 -1.510 19436 6149 1 19 . 1 1 81 81 LEU HA H 81 4.228 4.228 3.999 0.229 19436 6150 1 19 . 1 1 81 81 LEU C C 81 175.906 175.906 178.769 -2.863 19436 6151 1 19 . 1 1 81 81 LEU CA C 81 54.105 54.105 59.715 -5.610 19436 6152 1 19 . 1 1 81 81 LEU CB C 81 41.759 41.759 41.774 -0.015 19436 6153 1 19 . 1 1 81 81 LEU H H 81 7.609 7.609 8.320 -0.711 19436 6154 1 19 . 1 1 82 82 ARG N N 82 125.478 125.478 119.499 5.979 19436 6155 1 19 . 1 1 82 82 ARG C C 82 180.927 180.927 178.690 2.237 19436 6156 1 19 . 1 1 82 82 ARG H H 82 7.079 7.079 8.428 -1.349 19436 6157 1 20 . 1 1 2 2 PRO HA H 2 4.442 4.442 4.935 -0.493 19436 6158 1 20 . 1 1 2 2 PRO CA C 2 62.895 62.895 63.333 -0.438 19436 6159 1 20 . 1 1 2 2 PRO CB C 2 31.958 31.958 32.203 -0.245 19436 6160 1 20 . 1 1 3 3 SER N N 3 117.584 117.584 116.700 0.884 19436 6161 1 20 . 1 1 3 3 SER H H 3 8.434 8.434 8.302 0.132 19436 6162 1 20 . 1 1 4 4 PRO HA H 4 4.442 4.442 4.738 -0.296 19436 6163 1 20 . 1 1 4 4 PRO C C 4 176.912 176.912 175.714 1.198 19436 6164 1 20 . 1 1 4 4 PRO CA C 4 63.325 63.325 62.581 0.744 19436 6165 1 20 . 1 1 4 4 PRO CB C 4 32.011 32.011 34.116 -2.105 19436 6166 1 20 . 1 1 5 5 LEU N N 5 121.539 121.539 121.808 -0.269 19436 6167 1 20 . 1 1 5 5 LEU HA H 5 4.344 4.344 4.808 -0.464 19436 6168 1 20 . 1 1 5 5 LEU C C 5 177.549 177.549 175.008 2.541 19436 6169 1 20 . 1 1 5 5 LEU CA C 5 55.395 55.395 55.382 0.013 19436 6170 1 20 . 1 1 5 5 LEU CB C 5 42.317 42.317 43.531 -1.214 19436 6171 1 20 . 1 1 5 5 LEU H H 5 8.281 8.281 8.513 -0.232 19436 6172 1 20 . 1 1 6 6 SER N N 6 116.435 116.435 119.567 -3.132 19436 6173 1 20 . 1 1 6 6 SER HA H 6 4.464 4.464 4.419 0.045 19436 6174 1 20 . 1 1 6 6 SER C C 6 174.630 174.630 172.373 2.257 19436 6175 1 20 . 1 1 6 6 SER CA C 6 58.262 58.262 57.952 0.310 19436 6176 1 20 . 1 1 6 6 SER CB C 6 63.883 63.883 64.443 -0.560 19436 6177 1 20 . 1 1 6 6 SER H H 6 8.250 8.250 8.352 -0.102 19436 6178 1 20 . 1 1 7 7 SER N N 7 117.774 117.774 118.675 -0.901 19436 6179 1 20 . 1 1 7 7 SER HA H 7 4.481 4.481 4.499 -0.018 19436 6180 1 20 . 1 1 7 7 SER C C 7 174.630 174.630 172.471 2.159 19436 6181 1 20 . 1 1 7 7 SER CA C 7 58.511 58.511 57.551 0.960 19436 6182 1 20 . 1 1 7 7 SER CB C 7 63.827 63.827 66.269 -2.442 19436 6183 1 20 . 1 1 7 7 SER H H 7 8.392 8.392 8.584 -0.192 19436 6184 1 20 . 1 1 8 8 GLU N N 8 122.440 122.440 120.511 1.929 19436 6185 1 20 . 1 1 8 8 GLU HA H 8 4.332 4.332 4.601 -0.269 19436 6186 1 20 . 1 1 8 8 GLU C C 8 176.591 176.591 174.348 2.243 19436 6187 1 20 . 1 1 8 8 GLU CA C 8 56.846 56.846 55.336 1.510 19436 6188 1 20 . 1 1 8 8 GLU CB C 8 30.125 30.125 32.477 -2.352 19436 6189 1 20 . 1 1 8 8 GLU H H 8 8.458 8.458 7.859 0.599 19436 6190 1 20 . 1 1 9 9 SER N N 9 116.179 116.179 115.372 0.807 19436 6191 1 20 . 1 1 9 9 SER HA H 9 4.449 4.449 4.785 -0.336 19436 6192 1 20 . 1 1 9 9 SER C C 9 174.763 174.763 173.105 1.658 19436 6193 1 20 . 1 1 9 9 SER CA C 9 58.455 58.455 57.306 1.149 19436 6194 1 20 . 1 1 9 9 SER CB C 9 64.002 64.002 66.375 -2.373 19436 6195 1 20 . 1 1 9 9 SER H H 9 8.280 8.280 9.076 -0.796 19436 6196 1 20 . 1 1 10 10 GLU N N 10 122.989 122.989 120.099 2.890 19436 6197 1 20 . 1 1 10 10 GLU HA H 10 4.212 4.212 5.006 -0.794 19436 6198 1 20 . 1 1 10 10 GLU C C 10 176.344 176.344 174.843 1.501 19436 6199 1 20 . 1 1 10 10 GLU CA C 10 56.967 56.967 56.182 0.784 19436 6200 1 20 . 1 1 10 10 GLU CB C 10 30.176 30.176 31.395 -1.219 19436 6201 1 20 . 1 1 10 10 GLU H H 10 8.488 8.488 8.726 -0.238 19436 6202 1 20 . 1 1 29 29 ALA N N 29 126.204 126.204 124.964 1.240 19436 6203 1 20 . 1 1 29 29 ALA HA H 29 4.487 4.487 4.480 0.007 19436 6204 1 20 . 1 1 29 29 ALA C C 29 176.100 176.100 176.664 -0.564 19436 6205 1 20 . 1 1 29 29 ALA CA C 29 51.192 51.192 52.496 -1.304 19436 6206 1 20 . 1 1 29 29 ALA CB C 29 20.176 20.176 20.460 -0.284 19436 6207 1 20 . 1 1 29 29 ALA H H 29 8.570 8.570 8.475 0.095 19436 6208 1 20 . 1 1 30 30 ALA N N 30 128.202 128.202 128.858 -0.656 19436 6209 1 20 . 1 1 30 30 ALA HA H 30 4.303 4.303 4.424 -0.121 19436 6210 1 20 . 1 1 30 30 ALA C C 30 176.096 176.096 177.089 -0.993 19436 6211 1 20 . 1 1 30 30 ALA CA C 30 51.956 51.956 52.210 -0.254 19436 6212 1 20 . 1 1 30 30 ALA CB C 30 18.945 18.945 19.521 -0.577 19436 6213 1 20 . 1 1 30 30 ALA H H 30 8.665 8.665 8.428 0.237 19436 6214 1 20 . 1 1 31 31 LEU N N 31 120.119 120.119 121.036 -0.917 19436 6215 1 20 . 1 1 31 31 LEU HA H 31 4.897 4.897 5.233 -0.336 19436 6216 1 20 . 1 1 31 31 LEU C C 31 178.865 178.865 176.540 2.325 19436 6217 1 20 . 1 1 31 31 LEU CA C 31 52.051 52.051 53.670 -1.619 19436 6218 1 20 . 1 1 31 31 LEU CB C 31 44.147 44.147 43.477 0.670 19436 6219 1 20 . 1 1 31 31 LEU H H 31 8.034 8.034 7.581 0.453 19436 6220 1 20 . 1 1 32 32 HIS N N 32 122.302 122.302 119.113 3.189 19436 6221 1 20 . 1 1 32 32 HIS HA H 32 4.186 4.186 5.078 -0.892 19436 6222 1 20 . 1 1 32 32 HIS C C 32 177.524 177.524 173.695 3.829 19436 6223 1 20 . 1 1 32 32 HIS H H 32 8.573 8.573 9.409 -0.836 19436 6224 1 20 . 1 1 33 33 ALA HA H 33 4.411 4.411 5.049 -0.638 19436 6225 1 20 . 1 1 33 33 ALA CA C 33 53.433 53.433 51.241 2.192 19436 6226 1 20 . 1 1 33 33 ALA CB C 33 20.342 20.342 19.357 0.985 19436 6227 1 20 . 1 1 34 34 GLU HA H 34 4.684 4.684 4.846 -0.162 19436 6228 1 20 . 1 1 34 34 GLU CA C 34 54.841 54.841 56.523 -1.682 19436 6229 1 20 . 1 1 34 34 GLU CB C 34 33.102 33.102 30.735 2.367 19436 6230 1 20 . 1 1 35 35 GLY N N 35 108.193 108.193 108.889 -0.696 19436 6231 1 20 . 1 1 35 35 GLY H H 35 8.661 8.661 8.418 0.243 19436 6232 1 20 . 1 1 36 36 PRO HA H 36 4.278 4.278 4.858 -0.580 19436 6233 1 20 . 1 1 36 36 PRO C C 36 177.885 177.885 175.421 2.464 19436 6234 1 20 . 1 1 36 36 PRO CA C 36 64.598 64.598 62.775 1.823 19436 6235 1 20 . 1 1 36 36 PRO CB C 36 31.945 31.945 32.596 -0.651 19436 6236 1 20 . 1 1 37 37 LEU N N 37 117.378 117.378 119.298 -1.920 19436 6237 1 20 . 1 1 37 37 LEU HA H 37 4.256 4.256 4.713 -0.457 19436 6238 1 20 . 1 1 37 37 LEU C C 37 174.928 174.928 176.047 -1.119 19436 6239 1 20 . 1 1 37 37 LEU CA C 37 52.682 52.682 54.045 -1.363 19436 6240 1 20 . 1 1 37 37 LEU CB C 37 40.999 40.999 41.959 -0.960 19436 6241 1 20 . 1 1 37 37 LEU H H 37 8.557 8.557 8.051 0.506 19436 6242 1 20 . 1 1 38 38 ALA N N 38 120.501 120.501 122.582 -2.081 19436 6243 1 20 . 1 1 38 38 ALA HA H 38 3.476 3.476 4.052 -0.576 19436 6244 1 20 . 1 1 38 38 ALA C C 38 178.760 178.760 177.745 1.015 19436 6245 1 20 . 1 1 38 38 ALA CA C 38 53.756 53.756 52.136 1.621 19436 6246 1 20 . 1 1 38 38 ALA CB C 38 17.949 17.949 19.009 -1.060 19436 6247 1 20 . 1 1 38 38 ALA H H 38 7.202 7.202 8.625 -1.423 19436 6248 1 20 . 1 1 39 39 GLY N N 39 108.963 108.963 107.717 1.246 19436 6249 1 20 . 1 1 39 39 GLY C C 39 173.272 173.272 175.553 -2.281 19436 6250 1 20 . 1 1 39 39 GLY CA C 39 45.183 45.183 45.921 -0.738 19436 6251 1 20 . 1 1 39 39 GLY H H 39 8.942 8.942 8.746 0.196 19436 6252 1 20 . 1 1 40 40 LEU N N 40 120.080 120.080 120.875 -0.795 19436 6253 1 20 . 1 1 40 40 LEU HA H 40 4.830 4.830 4.138 0.692 19436 6254 1 20 . 1 1 40 40 LEU C C 40 174.422 174.422 176.930 -2.508 19436 6255 1 20 . 1 1 40 40 LEU CB C 40 41.282 41.282 42.001 -0.719 19436 6256 1 20 . 1 1 40 40 LEU H H 40 8.216 8.216 8.490 -0.274 19436 6257 1 20 . 1 1 41 41 PRO HA H 41 4.803 4.803 4.390 0.413 19436 6258 1 20 . 1 1 41 41 PRO CA C 41 61.528 61.528 63.254 -1.726 19436 6259 1 20 . 1 1 41 41 PRO CB C 41 31.384 31.384 32.325 -0.941 19436 6260 1 20 . 1 1 42 42 VAL N N 42 121.846 121.846 119.814 2.032 19436 6261 1 20 . 1 1 42 42 VAL HA H 42 3.510 3.510 4.196 -0.686 19436 6262 1 20 . 1 1 42 42 VAL CA C 42 65.888 65.888 61.849 4.039 19436 6263 1 20 . 1 1 42 42 VAL CB C 42 31.208 31.208 33.179 -1.971 19436 6264 1 20 . 1 1 42 42 VAL H H 42 7.784 7.784 7.687 0.097 19436 6265 1 20 . 1 1 43 43 THR N N 43 109.158 109.158 116.218 -7.060 19436 6266 1 20 . 1 1 43 43 THR HA H 43 4.996 4.996 4.063 0.933 19436 6267 1 20 . 1 1 43 43 THR CA C 43 59.964 59.964 64.962 -4.998 19436 6268 1 20 . 1 1 43 43 THR CB C 43 12.133 12.133 69.023 -56.890 19436 6269 1 20 . 1 1 43 43 THR H H 43 8.911 8.911 7.751 1.160 19436 6270 1 20 . 1 1 44 44 ARG N N 44 120.175 120.175 115.996 4.179 19436 6271 1 20 . 1 1 44 44 ARG HA H 44 3.936 3.936 4.413 -0.477 19436 6272 1 20 . 1 1 44 44 ARG CA C 44 60.596 60.596 55.487 5.109 19436 6273 1 20 . 1 1 44 44 ARG CB C 44 29.617 29.617 30.271 -0.654 19436 6274 1 20 . 1 1 44 44 ARG H H 44 9.305 9.305 8.471 0.834 19436 6275 1 20 . 1 1 45 45 SER N N 45 114.367 114.367 119.566 -5.199 19436 6276 1 20 . 1 1 45 45 SER HA H 45 4.118 4.118 4.545 -0.427 19436 6277 1 20 . 1 1 45 45 SER CA C 45 62.355 62.355 57.063 5.292 19436 6278 1 20 . 1 1 45 45 SER CB C 45 62.355 62.355 60.692 1.663 19436 6279 1 20 . 1 1 45 45 SER H H 45 8.192 8.192 7.737 0.455 19436 6280 1 20 . 1 1 46 46 ASP N N 46 120.511 120.511 127.656 -7.145 19436 6281 1 20 . 1 1 46 46 ASP HA H 46 4.396 4.396 4.743 -0.347 19436 6282 1 20 . 1 1 46 46 ASP C C 46 177.220 177.220 174.538 2.682 19436 6283 1 20 . 1 1 46 46 ASP CA C 46 58.113 58.113 54.044 4.069 19436 6284 1 20 . 1 1 46 46 ASP CB C 46 43.287 43.287 42.531 0.756 19436 6285 1 20 . 1 1 46 46 ASP H H 46 7.354 7.354 8.359 -1.005 19436 6286 1 20 . 1 1 47 47 ALA N N 47 120.606 120.606 130.591 -9.985 19436 6287 1 20 . 1 1 47 47 ALA HA H 47 3.736 3.736 4.375 -0.639 19436 6288 1 20 . 1 1 47 47 ALA C C 47 178.603 178.603 176.801 1.802 19436 6289 1 20 . 1 1 47 47 ALA CA C 47 54.879 54.879 52.386 2.493 19436 6290 1 20 . 1 1 47 47 ALA CB C 47 19.739 19.739 19.992 -0.253 19436 6291 1 20 . 1 1 47 47 ALA H H 47 7.838 7.838 8.316 -0.478 19436 6292 1 20 . 1 1 48 48 ARG N N 48 116.233 116.233 124.803 -8.570 19436 6293 1 20 . 1 1 48 48 ARG HA H 48 3.796 3.796 3.919 -0.123 19436 6294 1 20 . 1 1 48 48 ARG C C 48 177.903 177.903 174.735 3.168 19436 6295 1 20 . 1 1 48 48 ARG CA C 48 61.517 61.517 56.186 5.331 19436 6296 1 20 . 1 1 48 48 ARG CB C 48 30.351 30.351 31.000 -0.649 19436 6297 1 20 . 1 1 48 48 ARG H H 48 8.060 8.060 7.962 0.098 19436 6298 1 20 . 1 1 49 49 VAL N N 49 119.026 119.026 119.597 -0.571 19436 6299 1 20 . 1 1 49 49 VAL HA H 49 3.636 3.636 4.513 -0.877 19436 6300 1 20 . 1 1 49 49 VAL C C 49 177.817 177.817 174.215 3.602 19436 6301 1 20 . 1 1 49 49 VAL CA C 49 67.018 67.018 60.834 6.184 19436 6302 1 20 . 1 1 49 49 VAL CB C 49 31.821 31.821 31.457 0.364 19436 6303 1 20 . 1 1 49 49 VAL H H 49 7.413 7.413 8.006 -0.593 19436 6304 1 20 . 1 1 50 50 LEU HA H 50 4.113 4.113 4.646 -0.533 19436 6305 1 20 . 1 1 50 50 LEU C C 50 180.992 180.992 174.646 6.346 19436 6306 1 20 . 1 1 50 50 LEU CA C 50 58.382 58.382 53.130 5.252 19436 6307 1 20 . 1 1 50 50 LEU CB C 50 41.668 41.668 42.165 -0.497 19436 6308 1 20 . 1 1 51 51 ILE HA H 51 3.698 3.698 4.210 -0.512 19436 6309 1 20 . 1 1 51 51 ILE C C 51 178.708 178.708 175.084 3.624 19436 6310 1 20 . 1 1 51 51 ILE CA C 51 65.868 65.868 61.215 4.652 19436 6311 1 20 . 1 1 51 51 ILE CB C 51 38.755 38.755 38.564 0.191 19436 6312 1 20 . 1 1 52 52 PHE N N 52 123.370 123.370 122.921 0.449 19436 6313 1 20 . 1 1 52 52 PHE HA H 52 4.174 4.174 4.843 -0.669 19436 6314 1 20 . 1 1 52 52 PHE C C 52 176.998 176.998 174.771 2.227 19436 6315 1 20 . 1 1 52 52 PHE CA C 52 62.566 62.566 57.627 4.939 19436 6316 1 20 . 1 1 52 52 PHE CB C 52 39.295 39.295 41.037 -1.742 19436 6317 1 20 . 1 1 52 52 PHE H H 52 8.748 8.748 8.563 0.185 19436 6318 1 20 . 1 1 53 53 ASN N N 53 117.944 117.944 120.522 -2.578 19436 6319 1 20 . 1 1 53 53 ASN HA H 53 4.478 4.478 4.814 -0.336 19436 6320 1 20 . 1 1 53 53 ASN C C 53 178.706 178.706 174.985 3.721 19436 6321 1 20 . 1 1 53 53 ASN CA C 53 56.027 56.027 53.346 2.681 19436 6322 1 20 . 1 1 53 53 ASN CB C 53 37.883 37.883 39.876 -1.993 19436 6323 1 20 . 1 1 53 53 ASN H H 53 8.990 8.990 8.740 0.250 19436 6324 1 20 . 1 1 54 54 GLU N N 54 121.168 121.168 120.457 0.711 19436 6325 1 20 . 1 1 54 54 GLU HA H 54 4.123 4.123 4.532 -0.409 19436 6326 1 20 . 1 1 54 54 GLU C C 54 177.753 177.753 175.086 2.667 19436 6327 1 20 . 1 1 54 54 GLU CA C 54 59.415 59.415 56.348 3.067 19436 6328 1 20 . 1 1 54 54 GLU CB C 54 30.146 30.146 31.314 -1.168 19436 6329 1 20 . 1 1 54 54 GLU H H 54 8.177 8.177 8.346 -0.169 19436 6330 1 20 . 1 1 55 55 TRP N N 55 122.549 122.549 122.928 -0.379 19436 6331 1 20 . 1 1 55 55 TRP HA H 55 4.018 4.018 4.898 -0.880 19436 6332 1 20 . 1 1 55 55 TRP C C 55 176.647 176.647 175.510 1.137 19436 6333 1 20 . 1 1 55 55 TRP CA C 55 61.743 61.743 57.693 4.050 19436 6334 1 20 . 1 1 55 55 TRP CB C 55 27.960 27.960 29.855 -1.895 19436 6335 1 20 . 1 1 55 55 TRP H H 55 8.160 8.160 8.318 -0.158 19436 6336 1 20 . 1 1 56 56 GLU N N 56 117.397 117.397 119.594 -2.197 19436 6337 1 20 . 1 1 56 56 GLU HA H 56 2.962 2.962 4.646 -1.684 19436 6338 1 20 . 1 1 56 56 GLU C C 56 178.417 178.417 174.444 3.973 19436 6339 1 20 . 1 1 56 56 GLU CA C 56 59.739 59.739 54.799 4.940 19436 6340 1 20 . 1 1 56 56 GLU CB C 56 29.601 29.601 29.536 0.065 19436 6341 1 20 . 1 1 56 56 GLU H H 56 8.558 8.558 8.252 0.306 19436 6342 1 20 . 1 1 57 57 GLU HA H 57 4.049 4.049 4.436 -0.387 19436 6343 1 20 . 1 1 57 57 GLU C C 57 179.462 179.462 176.463 2.999 19436 6344 1 20 . 1 1 57 57 GLU CA C 57 58.264 58.264 56.021 2.243 19436 6345 1 20 . 1 1 57 57 GLU CB C 57 29.826 29.826 28.170 1.656 19436 6346 1 20 . 1 1 58 58 ARG N N 58 120.321 120.321 122.719 -2.398 19436 6347 1 20 . 1 1 58 58 ARG HA H 58 3.922 3.922 4.188 -0.266 19436 6348 1 20 . 1 1 58 58 ARG C C 58 178.832 178.832 174.383 4.449 19436 6349 1 20 . 1 1 58 58 ARG CA C 58 58.846 58.846 56.053 2.793 19436 6350 1 20 . 1 1 58 58 ARG H H 58 8.420 8.420 8.267 0.153 19436 6351 1 20 . 1 1 59 59 LYS N N 59 118.447 118.447 119.802 -1.355 19436 6352 1 20 . 1 1 59 59 LYS HA H 59 3.681 3.681 4.626 -0.945 19436 6353 1 20 . 1 1 59 59 LYS C C 59 176.846 176.846 174.907 1.939 19436 6354 1 20 . 1 1 59 59 LYS CA C 59 57.540 57.540 55.978 1.562 19436 6355 1 20 . 1 1 59 59 LYS CB C 59 30.572 30.572 33.981 -3.409 19436 6356 1 20 . 1 1 59 59 LYS H H 59 8.436 8.436 8.334 0.102 19436 6357 1 20 . 1 1 60 60 LYS N N 60 117.663 117.663 120.817 -3.154 19436 6358 1 20 . 1 1 60 60 LYS HA H 60 3.817 3.817 4.774 -0.957 19436 6359 1 20 . 1 1 60 60 LYS C C 60 177.762 177.762 176.235 1.527 19436 6360 1 20 . 1 1 60 60 LYS CA C 60 59.207 59.207 55.919 3.288 19436 6361 1 20 . 1 1 60 60 LYS CB C 60 32.269 32.269 33.990 -1.721 19436 6362 1 20 . 1 1 60 60 LYS H H 60 6.904 6.904 8.466 -1.562 19436 6363 1 20 . 1 1 61 61 SER N N 61 110.383 110.383 115.850 -5.467 19436 6364 1 20 . 1 1 61 61 SER HA H 61 4.527 4.527 4.975 -0.448 19436 6365 1 20 . 1 1 61 61 SER C C 61 174.006 174.006 172.386 1.620 19436 6366 1 20 . 1 1 61 61 SER CA C 61 58.671 58.671 57.331 1.340 19436 6367 1 20 . 1 1 61 61 SER CB C 61 64.444 64.444 65.809 -1.365 19436 6368 1 20 . 1 1 61 61 SER H H 61 7.381 7.381 8.372 -0.991 19436 6369 1 20 . 1 1 62 62 GLU N N 62 121.734 121.734 120.436 1.298 19436 6370 1 20 . 1 1 62 62 GLU HA H 62 3.681 3.681 4.810 -1.129 19436 6371 1 20 . 1 1 62 62 GLU C C 62 172.751 172.751 174.759 -2.008 19436 6372 1 20 . 1 1 62 62 GLU CA C 62 52.861 52.861 55.136 -2.275 19436 6373 1 20 . 1 1 62 62 GLU CB C 62 30.206 30.206 30.974 -0.768 19436 6374 1 20 . 1 1 62 62 GLU H H 62 7.625 7.625 9.308 -1.683 19436 6375 1 20 . 1 1 63 63 PRO HA H 63 4.267 4.267 5.003 -0.736 19436 6376 1 20 . 1 1 63 63 PRO C C 63 176.541 176.541 176.934 -0.393 19436 6377 1 20 . 1 1 63 63 PRO CA C 63 64.621 64.621 61.249 3.372 19436 6378 1 20 . 1 1 63 63 PRO CB C 63 31.452 31.452 35.584 -4.132 19436 6379 1 20 . 1 1 64 64 TRP N N 64 115.298 115.298 120.949 -5.651 19436 6380 1 20 . 1 1 64 64 TRP HA H 64 4.645 4.645 4.755 -0.110 19436 6381 1 20 . 1 1 64 64 TRP C C 64 176.530 176.530 176.518 0.012 19436 6382 1 20 . 1 1 64 64 TRP CA C 64 56.604 56.604 57.948 -1.344 19436 6383 1 20 . 1 1 64 64 TRP CB C 64 28.026 28.026 31.454 -3.428 19436 6384 1 20 . 1 1 64 64 TRP H H 64 6.837 6.837 8.661 -1.824 19436 6385 1 20 . 1 1 65 65 LEU N N 65 125.040 125.040 125.962 -0.922 19436 6386 1 20 . 1 1 65 65 LEU HA H 65 4.149 4.149 4.487 -0.338 19436 6387 1 20 . 1 1 65 65 LEU C C 65 177.528 177.528 175.905 1.623 19436 6388 1 20 . 1 1 65 65 LEU CA C 65 56.277 56.277 55.316 0.961 19436 6389 1 20 . 1 1 65 65 LEU CB C 65 43.152 43.152 43.050 0.102 19436 6390 1 20 . 1 1 65 65 LEU H H 65 7.252 7.252 8.859 -1.607 19436 6391 1 20 . 1 1 66 66 ARG N N 66 128.225 128.225 117.466 10.759 19436 6392 1 20 . 1 1 66 66 ARG HA H 66 4.578 4.578 4.521 0.057 19436 6393 1 20 . 1 1 66 66 ARG C C 66 175.757 175.757 175.717 0.040 19436 6394 1 20 . 1 1 66 66 ARG CA C 66 55.105 55.105 54.746 0.359 19436 6395 1 20 . 1 1 66 66 ARG CB C 66 31.397 31.397 33.455 -2.058 19436 6396 1 20 . 1 1 66 66 ARG H H 66 8.892 8.892 7.955 0.937 19436 6397 1 20 . 1 1 67 67 LEU N N 67 127.896 127.896 121.852 6.044 19436 6398 1 20 . 1 1 67 67 LEU HA H 67 3.560 3.560 4.088 -0.528 19436 6399 1 20 . 1 1 67 67 LEU C C 67 175.383 175.383 175.640 -0.257 19436 6400 1 20 . 1 1 67 67 LEU CA C 67 54.595 54.595 54.618 -0.023 19436 6401 1 20 . 1 1 67 67 LEU H H 67 8.328 8.328 8.346 -0.018 19436 6402 1 20 . 1 1 68 68 ASP HA H 68 4.719 4.719 4.591 0.128 19436 6403 1 20 . 1 1 68 68 ASP C C 68 174.373 174.373 175.916 -1.543 19436 6404 1 20 . 1 1 68 68 ASP CA C 68 52.936 52.936 55.662 -2.726 19436 6405 1 20 . 1 1 68 68 ASP CB C 68 41.363 41.363 40.815 0.548 19436 6406 1 20 . 1 1 69 69 MET N N 69 122.596 122.596 117.057 5.539 19436 6407 1 20 . 1 1 69 69 MET HA H 69 4.539 4.539 4.615 -0.076 19436 6408 1 20 . 1 1 69 69 MET C C 69 174.798 174.798 175.465 -0.667 19436 6409 1 20 . 1 1 69 69 MET CA C 69 53.657 53.657 54.068 -0.411 19436 6410 1 20 . 1 1 69 69 MET CB C 69 33.356 33.356 32.007 1.349 19436 6411 1 20 . 1 1 69 69 MET H H 69 8.777 8.777 7.999 0.778 19436 6412 1 20 . 1 1 70 70 SER N N 70 116.028 116.028 114.956 1.072 19436 6413 1 20 . 1 1 70 70 SER HA H 70 4.183 4.183 4.447 -0.264 19436 6414 1 20 . 1 1 70 70 SER C C 70 173.995 173.995 175.469 -1.474 19436 6415 1 20 . 1 1 70 70 SER CA C 70 58.683 58.683 59.377 -0.694 19436 6416 1 20 . 1 1 70 70 SER CB C 70 64.826 64.826 62.664 2.162 19436 6417 1 20 . 1 1 70 70 SER H H 70 8.179 8.179 7.576 0.603 19436 6418 1 20 . 1 1 71 71 ASP N N 71 121.658 121.658 125.850 -4.192 19436 6419 1 20 . 1 1 71 71 ASP HA H 71 3.788 3.788 4.399 -0.611 19436 6420 1 20 . 1 1 71 71 ASP C C 71 176.757 176.757 175.563 1.194 19436 6421 1 20 . 1 1 71 71 ASP CA C 71 57.426 57.426 54.061 3.365 19436 6422 1 20 . 1 1 71 71 ASP H H 71 8.789 8.789 9.095 -0.306 19436 6423 1 20 . 1 1 72 72 LYS N N 72 116.258 116.258 120.336 -4.078 19436 6424 1 20 . 1 1 72 72 LYS HA H 72 3.751 3.751 4.852 -1.101 19436 6425 1 20 . 1 1 72 72 LYS C C 72 178.882 178.882 174.785 4.097 19436 6426 1 20 . 1 1 72 72 LYS CA C 72 59.891 59.891 53.590 6.301 19436 6427 1 20 . 1 1 72 72 LYS CB C 72 32.195 32.195 33.447 -1.252 19436 6428 1 20 . 1 1 72 72 LYS H H 72 7.876 7.876 7.995 -0.119 19436 6429 1 20 . 1 1 73 73 ALA HA H 73 3.939 3.939 4.651 -0.712 19436 6430 1 20 . 1 1 73 73 ALA C C 73 181.112 181.112 177.547 3.565 19436 6431 1 20 . 1 1 73 73 ALA CA C 73 55.118 55.118 51.391 3.727 19436 6432 1 20 . 1 1 73 73 ALA CB C 73 17.847 17.847 19.759 -1.913 19436 6433 1 20 . 1 1 74 74 ILE N N 74 119.583 119.583 117.019 2.564 19436 6434 1 20 . 1 1 74 74 ILE HA H 74 3.477 3.477 4.449 -0.972 19436 6435 1 20 . 1 1 74 74 ILE C C 74 177.697 177.697 176.839 0.858 19436 6436 1 20 . 1 1 74 74 ILE CA C 74 66.112 66.112 61.620 4.492 19436 6437 1 20 . 1 1 74 74 ILE CB C 74 37.678 37.678 38.957 -1.279 19436 6438 1 20 . 1 1 74 74 ILE H H 74 8.119 8.119 8.169 -0.050 19436 6439 1 20 . 1 1 75 75 PHE N N 75 117.768 117.768 116.670 1.098 19436 6440 1 20 . 1 1 75 75 PHE HA H 75 4.431 4.431 4.838 -0.407 19436 6441 1 20 . 1 1 75 75 PHE C C 75 177.987 177.987 175.410 2.577 19436 6442 1 20 . 1 1 75 75 PHE CA C 75 56.968 56.968 55.568 1.400 19436 6443 1 20 . 1 1 75 75 PHE CB C 75 37.281 37.281 42.150 -4.869 19436 6444 1 20 . 1 1 75 75 PHE H H 75 8.553 8.553 7.975 0.578 19436 6445 1 20 . 1 1 76 76 ARG N N 76 117.370 117.370 121.284 -3.914 19436 6446 1 20 . 1 1 76 76 ARG HA H 76 4.059 4.059 4.016 0.043 19436 6447 1 20 . 1 1 76 76 ARG C C 76 177.520 177.520 178.323 -0.803 19436 6448 1 20 . 1 1 76 76 ARG CA C 76 58.690 58.690 59.956 -1.266 19436 6449 1 20 . 1 1 76 76 ARG CB C 76 30.417 30.417 30.024 0.393 19436 6450 1 20 . 1 1 76 76 ARG H H 76 7.532 7.532 8.883 -1.351 19436 6451 1 20 . 1 1 77 77 ARG N N 77 117.482 117.482 119.426 -1.944 19436 6452 1 20 . 1 1 77 77 ARG HA H 77 3.967 3.967 4.017 -0.050 19436 6453 1 20 . 1 1 77 77 ARG C C 77 176.168 176.168 178.292 -2.124 19436 6454 1 20 . 1 1 77 77 ARG CA C 77 57.472 57.472 59.388 -1.916 19436 6455 1 20 . 1 1 77 77 ARG CB C 77 31.746 31.746 29.736 2.010 19436 6456 1 20 . 1 1 77 77 ARG H H 77 7.222 7.222 8.318 -1.096 19436 6457 1 20 . 1 1 78 78 TYR N N 78 116.126 116.126 122.296 -6.170 19436 6458 1 20 . 1 1 78 78 TYR HA H 78 5.333 5.333 4.247 1.086 19436 6459 1 20 . 1 1 78 78 TYR C C 78 172.361 172.361 177.989 -5.628 19436 6460 1 20 . 1 1 78 78 TYR CB C 78 38.546 38.546 37.975 0.571 19436 6461 1 20 . 1 1 78 78 TYR H H 78 8.823 8.823 7.839 0.984 19436 6462 1 20 . 1 1 79 79 PRO HA H 79 4.441 4.441 3.921 0.520 19436 6463 1 20 . 1 1 79 79 PRO C C 79 178.491 178.491 179.420 -0.929 19436 6464 1 20 . 1 1 79 79 PRO CA C 79 64.854 64.854 66.219 -1.365 19436 6465 1 20 . 1 1 79 79 PRO CB C 79 31.694 31.694 30.930 0.763 19436 6466 1 20 . 1 1 80 80 HIS N N 80 115.604 115.604 117.297 -1.693 19436 6467 1 20 . 1 1 80 80 HIS HA H 80 4.549 4.549 4.297 0.252 19436 6468 1 20 . 1 1 80 80 HIS C C 80 176.202 176.202 177.579 -1.377 19436 6469 1 20 . 1 1 80 80 HIS CA C 80 58.597 58.597 58.895 -0.298 19436 6470 1 20 . 1 1 80 80 HIS CB C 80 29.685 29.685 29.550 0.135 19436 6471 1 20 . 1 1 80 80 HIS H H 80 8.274 8.274 8.083 0.191 19436 6472 1 20 . 1 1 81 81 LEU N N 81 120.646 120.646 122.196 -1.550 19436 6473 1 20 . 1 1 81 81 LEU HA H 81 4.228 4.228 4.038 0.190 19436 6474 1 20 . 1 1 81 81 LEU C C 81 175.906 175.906 178.667 -2.761 19436 6475 1 20 . 1 1 81 81 LEU CA C 81 54.105 54.105 59.793 -5.688 19436 6476 1 20 . 1 1 81 81 LEU CB C 81 41.759 41.759 41.725 0.034 19436 6477 1 20 . 1 1 81 81 LEU H H 81 7.609 7.609 8.322 -0.713 19436 6478 1 20 . 1 1 82 82 ARG N N 82 125.478 125.478 119.430 6.048 19436 6479 1 20 . 1 1 82 82 ARG C C 82 180.927 180.927 178.884 2.043 19436 6480 1 20 . 1 1 82 82 ARG H H 82 7.079 7.079 8.517 -1.438 19436 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 50 3.453 0.399 3.464 19436 2 1 1 "Average Difference" HA 62 0.571 0.295 0.493 19436 3 1 1 "Average Difference" C 53 2.494 -1.145 2.237 19436 4 1 1 "Average Difference" CA 57 3.013 -1.290 2.747 19436 5 1 1 "Average Difference" CB 55 7.860 1.720 7.740 19436 6 1 1 "Average Difference" HN 50 0.768 0.190 0.751 19436 7 1 2 "Average Difference" N 50 3.621 0.445 3.630 19436 8 1 2 "Average Difference" HA 62 0.610 0.303 0.533 19436 9 1 2 "Average Difference" C 53 2.370 -1.011 2.164 19436 10 1 2 "Average Difference" CA 57 2.949 -1.191 2.721 19436 11 1 2 "Average Difference" CB 55 7.863 1.691 7.750 19436 12 1 2 "Average Difference" HN 50 0.791 0.105 0.792 19436 13 1 3 "Average Difference" N 50 3.828 0.661 3.809 19436 14 1 3 "Average Difference" HA 62 0.560 0.270 0.495 19436 15 1 3 "Average Difference" C 53 2.294 -1.015 2.076 19436 16 1 3 "Average Difference" CA 57 3.008 -1.318 2.728 19436 17 1 3 "Average Difference" CB 55 7.877 1.564 7.791 19436 18 1 3 "Average Difference" HN 50 0.808 0.187 0.794 19436 19 1 4 "Average Difference" N 50 3.689 0.224 3.720 19436 20 1 4 "Average Difference" HA 62 0.568 0.250 0.515 19436 21 1 4 "Average Difference" C 53 2.368 -0.997 2.168 19436 22 1 4 "Average Difference" CA 57 3.131 -1.369 2.841 19436 23 1 4 "Average Difference" CB 55 7.878 1.563 7.792 19436 24 1 4 "Average Difference" HN 50 0.773 0.125 0.771 19436 25 1 5 "Average Difference" N 50 3.643 0.555 3.637 19436 26 1 5 "Average Difference" HA 62 0.564 0.285 0.490 19436 27 1 5 "Average Difference" C 53 2.521 -1.018 2.328 19436 28 1 5 "Average Difference" CA 57 3.011 -1.203 2.785 19436 29 1 5 "Average Difference" CB 55 7.913 1.527 7.836 19436 30 1 5 "Average Difference" HN 50 0.800 0.129 0.797 19436 31 1 6 "Average Difference" N 50 3.586 0.435 3.596 19436 32 1 6 "Average Difference" HA 62 0.554 0.299 0.470 19436 33 1 6 "Average Difference" C 53 2.517 -1.098 2.287 19436 34 1 6 "Average Difference" CA 57 3.082 -1.280 2.828 19436 35 1 6 "Average Difference" CB 55 7.907 1.805 7.769 19436 36 1 6 "Average Difference" HN 50 0.824 0.171 0.815 19436 37 1 7 "Average Difference" N 50 3.581 0.523 3.578 19436 38 1 7 "Average Difference" HA 62 0.576 0.337 0.471 19436 39 1 7 "Average Difference" C 53 2.474 -1.146 2.213 19436 40 1 7 "Average Difference" CA 57 3.011 -1.293 2.744 19436 41 1 7 "Average Difference" CB 55 7.883 1.790 7.748 19436 42 1 7 "Average Difference" HN 50 0.766 0.196 0.748 19436 43 1 8 "Average Difference" N 50 3.669 -0.127 3.704 19436 44 1 8 "Average Difference" HA 62 0.566 0.321 0.470 19436 45 1 8 "Average Difference" C 53 2.426 -1.021 2.222 19436 46 1 8 "Average Difference" CA 57 2.919 -1.342 2.615 19436 47 1 8 "Average Difference" CB 55 7.636 1.607 7.534 19436 48 1 8 "Average Difference" HN 50 0.767 0.170 0.756 19436 49 1 9 "Average Difference" N 50 3.554 0.505 3.554 19436 50 1 9 "Average Difference" HA 62 0.589 0.333 0.490 19436 51 1 9 "Average Difference" C 53 2.517 -1.224 2.221 19436 52 1 9 "Average Difference" CA 57 2.961 -1.302 2.683 19436 53 1 9 "Average Difference" CB 55 7.856 1.806 7.716 19436 54 1 9 "Average Difference" HN 50 0.830 0.089 0.833 19436 55 1 10 "Average Difference" N 50 3.945 0.867 3.888 19436 56 1 10 "Average Difference" HA 62 0.545 0.265 0.480 19436 57 1 10 "Average Difference" C 53 2.383 -0.996 2.185 19436 58 1 10 "Average Difference" CA 57 2.990 -1.189 2.768 19436 59 1 10 "Average Difference" CB 55 7.899 1.520 7.822 19436 60 1 10 "Average Difference" HN 50 0.770 0.120 0.769 19436 61 1 11 "Average Difference" N 50 3.793 0.923 3.717 19436 62 1 11 "Average Difference" HA 62 0.541 0.254 0.482 19436 63 1 11 "Average Difference" C 53 2.344 -0.932 2.171 19436 64 1 11 "Average Difference" CA 57 2.929 -1.230 2.681 19436 65 1 11 "Average Difference" CB 55 7.736 1.464 7.667 19436 66 1 11 "Average Difference" HN 50 0.779 0.095 0.782 19436 67 1 12 "Average Difference" N 50 3.839 1.073 3.723 19436 68 1 12 "Average Difference" HA 62 0.574 0.298 0.495 19436 69 1 12 "Average Difference" C 53 2.443 -1.188 2.155 19436 70 1 12 "Average Difference" CA 57 3.056 -1.344 2.769 19436 71 1 12 "Average Difference" CB 55 7.848 1.722 7.728 19436 72 1 12 "Average Difference" HN 50 0.728 0.154 0.719 19436 73 1 13 "Average Difference" N 50 3.708 0.063 3.745 19436 74 1 13 "Average Difference" HA 62 0.579 0.288 0.507 19436 75 1 13 "Average Difference" C 53 2.446 -1.083 2.215 19436 76 1 13 "Average Difference" CA 57 2.955 -1.245 2.704 19436 77 1 13 "Average Difference" CB 55 7.857 1.628 7.758 19436 78 1 13 "Average Difference" HN 50 0.779 0.126 0.777 19436 79 1 14 "Average Difference" N 50 3.845 -0.053 3.884 19436 80 1 14 "Average Difference" HA 62 0.584 0.275 0.520 19436 81 1 14 "Average Difference" C 53 2.345 -1.042 2.121 19436 82 1 14 "Average Difference" CA 57 2.991 -1.283 2.725 19436 83 1 14 "Average Difference" CB 55 7.766 1.512 7.687 19436 84 1 14 "Average Difference" HN 50 0.754 0.160 0.745 19436 85 1 15 "Average Difference" N 50 3.678 0.730 3.642 19436 86 1 15 "Average Difference" HA 62 0.577 0.296 0.499 19436 87 1 15 "Average Difference" C 53 2.471 -1.065 2.251 19436 88 1 15 "Average Difference" CA 57 3.058 -1.316 2.784 19436 89 1 15 "Average Difference" CB 55 7.863 1.636 7.762 19436 90 1 15 "Average Difference" HN 50 0.728 0.127 0.725 19436 91 1 16 "Average Difference" N 50 4.041 0.374 4.065 19436 92 1 16 "Average Difference" HA 62 0.575 0.319 0.483 19436 93 1 16 "Average Difference" C 53 2.414 -1.149 2.143 19436 94 1 16 "Average Difference" CA 57 3.059 -1.399 2.744 19436 95 1 16 "Average Difference" CB 55 7.614 1.759 7.476 19436 96 1 16 "Average Difference" HN 50 0.807 0.214 0.787 19436 97 1 17 "Average Difference" N 50 3.743 0.356 3.764 19436 98 1 17 "Average Difference" HA 62 0.531 0.203 0.495 19436 99 1 17 "Average Difference" C 53 2.249 -0.764 2.135 19436 100 1 17 "Average Difference" CA 57 2.946 -1.260 2.687 19436 101 1 17 "Average Difference" CB 55 7.861 1.265 7.830 19436 102 1 17 "Average Difference" HN 50 0.811 0.067 0.817 19436 103 1 18 "Average Difference" N 50 4.089 1.002 4.005 19436 104 1 18 "Average Difference" HA 62 0.602 0.271 0.542 19436 105 1 18 "Average Difference" C 53 2.478 -1.167 2.207 19436 106 1 18 "Average Difference" CA 57 3.050 -1.302 2.782 19436 107 1 18 "Average Difference" CB 55 7.651 1.629 7.545 19436 108 1 18 "Average Difference" HN 50 0.815 0.145 0.810 19436 109 1 19 "Average Difference" N 50 3.720 0.450 3.731 19436 110 1 19 "Average Difference" HA 62 0.612 0.312 0.531 19436 111 1 19 "Average Difference" C 53 2.498 -1.142 2.243 19436 112 1 19 "Average Difference" CA 57 3.080 -1.405 2.766 19436 113 1 19 "Average Difference" CB 55 7.839 1.702 7.722 19436 114 1 19 "Average Difference" HN 50 0.770 0.187 0.754 19436 115 1 20 "Average Difference" N 50 3.975 0.871 3.918 19436 116 1 20 "Average Difference" HA 62 0.596 0.317 0.509 19436 117 1 20 "Average Difference" C 53 2.525 -1.118 2.285 19436 118 1 20 "Average Difference" CA 57 3.041 -1.338 2.755 19436 119 1 20 "Average Difference" CB 55 7.849 1.724 7.728 19436 120 1 20 "Average Difference" HN 50 0.772 0.182 0.758 19436 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 19436 _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 PRO HA H 2 4.442 4.442 4.876 -0.434 19436 2 1 . 1 1 2 2 PRO CA C 2 62.895 62.895 62.881 0.014 19436 3 1 . 1 1 2 2 PRO CB C 2 31.958 31.958 33.112 -1.154 19436 4 1 . 1 1 3 3 SER N N 3 117.584 117.584 116.673 0.911 19436 5 1 . 1 1 3 3 SER H H 3 8.434 8.434 8.619 -0.185 19436 6 1 . 1 1 4 4 PRO HA H 4 4.442 4.442 4.622 -0.180 19436 7 1 . 1 1 4 4 PRO C C 4 176.912 176.912 176.106 0.806 19436 8 1 . 1 1 4 4 PRO CA C 4 63.325 63.325 62.770 0.555 19436 9 1 . 1 1 4 4 PRO CB C 4 32.011 32.011 32.881 -0.870 19436 10 1 . 1 1 5 5 LEU N N 5 121.539 121.539 122.596 -1.057 19436 11 1 . 1 1 5 5 LEU HA H 5 4.344 4.344 4.698 -0.354 19436 12 1 . 1 1 5 5 LEU C C 5 177.549 177.549 175.511 2.038 19436 13 1 . 1 1 5 5 LEU CA C 5 55.395 55.395 54.662 0.733 19436 14 1 . 1 1 5 5 LEU CB C 5 42.317 42.317 43.477 -1.160 19436 15 1 . 1 1 5 5 LEU H H 5 8.281 8.281 8.493 -0.212 19436 16 1 . 1 1 6 6 SER N N 6 116.435 116.435 116.966 -0.531 19436 17 1 . 1 1 6 6 SER HA H 6 4.464 4.464 4.623 -0.159 19436 18 1 . 1 1 6 6 SER C C 6 174.630 174.630 173.320 1.310 19436 19 1 . 1 1 6 6 SER CA C 6 58.262 58.262 57.932 0.330 19436 20 1 . 1 1 6 6 SER CB C 6 63.883 63.883 64.438 -0.555 19436 21 1 . 1 1 6 6 SER H H 6 8.250 8.250 8.541 -0.291 19436 22 1 . 1 1 7 7 SER N N 7 117.774 117.774 116.677 1.097 19436 23 1 . 1 1 7 7 SER HA H 7 4.481 4.481 4.601 -0.120 19436 24 1 . 1 1 7 7 SER C C 7 174.630 174.630 173.201 1.429 19436 25 1 . 1 1 7 7 SER CA C 7 58.511 58.511 57.937 0.574 19436 26 1 . 1 1 7 7 SER CB C 7 63.827 63.827 64.827 -1.000 19436 27 1 . 1 1 7 7 SER H H 7 8.392 8.392 8.393 -0.001 19436 28 1 . 1 1 8 8 GLU N N 8 122.440 122.440 121.044 1.396 19436 29 1 . 1 1 8 8 GLU HA H 8 4.332 4.332 4.534 -0.202 19436 30 1 . 1 1 8 8 GLU C C 8 176.591 176.591 175.153 1.438 19436 31 1 . 1 1 8 8 GLU CA C 8 56.846 56.846 56.007 0.839 19436 32 1 . 1 1 8 8 GLU CB C 8 30.125 30.125 31.319 -1.194 19436 33 1 . 1 1 8 8 GLU H H 8 8.458 8.458 8.532 -0.073 19436 34 1 . 1 1 9 9 SER N N 9 116.179 116.179 116.328 -0.149 19436 35 1 . 1 1 9 9 SER HA H 9 4.449 4.449 4.635 -0.186 19436 36 1 . 1 1 9 9 SER C C 9 174.763 174.763 172.896 1.867 19436 37 1 . 1 1 9 9 SER CA C 9 58.455 58.455 57.904 0.551 19436 38 1 . 1 1 9 9 SER CB C 9 64.002 64.002 64.819 -0.817 19436 39 1 . 1 1 9 9 SER H H 9 8.280 8.280 8.476 -0.196 19436 40 1 . 1 1 10 10 GLU N N 10 122.989 122.989 121.640 1.349 19436 41 1 . 1 1 10 10 GLU HA H 10 4.212 4.212 4.528 -0.316 19436 42 1 . 1 1 10 10 GLU C C 10 176.344 176.344 175.389 0.955 19436 43 1 . 1 1 10 10 GLU CA C 10 56.967 56.967 56.023 0.944 19436 44 1 . 1 1 10 10 GLU CB C 10 30.176 30.176 31.314 -1.138 19436 45 1 . 1 1 10 10 GLU H H 10 8.488 8.488 8.476 0.012 19436 46 1 . 1 1 29 29 ALA N N 29 126.204 126.204 123.784 2.420 19436 47 1 . 1 1 29 29 ALA HA H 29 4.487 4.487 4.605 -0.118 19436 48 1 . 1 1 29 29 ALA C C 29 176.100 176.100 176.234 -0.134 19436 49 1 . 1 1 29 29 ALA CA C 29 51.192 51.192 51.895 -0.703 19436 50 1 . 1 1 29 29 ALA CB C 29 20.176 20.176 20.646 -0.470 19436 51 1 . 1 1 29 29 ALA H H 29 8.570 8.570 8.228 0.342 19436 52 1 . 1 1 30 30 ALA N N 30 128.202 128.202 126.980 1.222 19436 53 1 . 1 1 30 30 ALA HA H 30 4.303 4.303 4.653 -0.350 19436 54 1 . 1 1 30 30 ALA C C 30 176.096 176.096 176.193 -0.097 19436 55 1 . 1 1 30 30 ALA CA C 30 51.956 51.956 51.905 0.051 19436 56 1 . 1 1 30 30 ALA CB C 30 18.945 18.945 20.113 -1.168 19436 57 1 . 1 1 30 30 ALA H H 30 8.665 8.665 8.142 0.523 19436 58 1 . 1 1 31 31 LEU N N 31 120.119 120.119 122.477 -2.358 19436 59 1 . 1 1 31 31 LEU HA H 31 4.897 4.897 4.668 0.229 19436 60 1 . 1 1 31 31 LEU C C 31 178.865 178.865 176.271 2.594 19436 61 1 . 1 1 31 31 LEU CA C 31 52.051 52.051 54.708 -2.657 19436 62 1 . 1 1 31 31 LEU CB C 31 44.147 44.147 43.340 0.807 19436 63 1 . 1 1 31 31 LEU H H 31 8.034 8.034 8.332 -0.298 19436 64 1 . 1 1 32 32 HIS N N 32 122.302 122.302 120.194 2.108 19436 65 1 . 1 1 32 32 HIS HA H 32 4.186 4.186 4.540 -0.355 19436 66 1 . 1 1 32 32 HIS C C 32 177.524 177.524 173.368 4.155 19436 67 1 . 1 1 32 32 HIS H H 32 8.573 8.573 8.291 0.282 19436 68 1 . 1 1 33 33 ALA HA H 33 4.411 4.411 4.652 -0.241 19436 69 1 . 1 1 33 33 ALA CA C 33 53.433 53.433 51.097 2.336 19436 70 1 . 1 1 33 33 ALA CB C 33 20.342 20.342 19.424 0.918 19436 71 1 . 1 1 34 34 GLU HA H 34 4.684 4.684 4.611 0.073 19436 72 1 . 1 1 34 34 GLU CA C 34 54.841 54.841 56.347 -1.506 19436 73 1 . 1 1 34 34 GLU CB C 34 33.102 33.102 30.629 2.473 19436 74 1 . 1 1 35 35 GLY N N 35 108.193 108.193 109.317 -1.124 19436 75 1 . 1 1 35 35 GLY H H 35 8.661 8.661 8.387 0.274 19436 76 1 . 1 1 36 36 PRO HA H 36 4.278 4.278 4.599 -0.321 19436 77 1 . 1 1 36 36 PRO C C 36 177.885 177.885 175.920 1.965 19436 78 1 . 1 1 36 36 PRO CA C 36 64.598 64.598 62.997 1.602 19436 79 1 . 1 1 36 36 PRO CB C 36 31.945 31.945 32.383 -0.438 19436 80 1 . 1 1 37 37 LEU N N 37 117.378 117.378 121.179 -3.801 19436 81 1 . 1 1 37 37 LEU HA H 37 4.256 4.256 4.657 -0.401 19436 82 1 . 1 1 37 37 LEU C C 37 174.928 174.928 176.272 -1.344 19436 83 1 . 1 1 37 37 LEU CA C 37 52.682 52.682 54.857 -2.175 19436 84 1 . 1 1 37 37 LEU CB C 37 40.999 40.999 43.321 -2.322 19436 85 1 . 1 1 37 37 LEU H H 37 8.557 8.557 8.302 0.256 19436 86 1 . 1 1 38 38 ALA N N 38 120.501 120.501 124.268 -3.767 19436 87 1 . 1 1 38 38 ALA HA H 38 3.476 3.476 4.551 -1.075 19436 88 1 . 1 1 38 38 ALA C C 38 178.760 178.760 176.862 1.898 19436 89 1 . 1 1 38 38 ALA CA C 38 53.756 53.756 51.938 1.818 19436 90 1 . 1 1 38 38 ALA CB C 38 17.949 17.949 19.918 -1.969 19436 91 1 . 1 1 38 38 ALA H H 38 7.202 7.202 8.180 -0.978 19436 92 1 . 1 1 39 39 GLY N N 39 108.963 108.963 110.593 -1.630 19436 93 1 . 1 1 39 39 GLY C C 39 173.272 173.272 173.872 -0.600 19436 94 1 . 1 1 39 39 GLY CA C 39 45.183 45.183 45.205 -0.022 19436 95 1 . 1 1 39 39 GLY H H 39 8.942 8.942 8.457 0.485 19436 96 1 . 1 1 40 40 LEU N N 40 120.080 120.080 122.986 -2.906 19436 97 1 . 1 1 40 40 LEU HA H 40 4.830 4.830 4.518 0.312 19436 98 1 . 1 1 40 40 LEU C C 40 174.422 174.422 175.691 -1.269 19436 99 1 . 1 1 40 40 LEU CB C 40 41.282 41.282 42.936 -1.654 19436 100 1 . 1 1 40 40 LEU H H 40 8.216 8.216 8.185 0.031 19436 101 1 . 1 1 41 41 PRO HA H 41 4.803 4.803 4.507 0.296 19436 102 1 . 1 1 41 41 PRO CA C 41 61.528 61.528 63.263 -1.735 19436 103 1 . 1 1 41 41 PRO CB C 41 31.384 31.384 32.499 -1.115 19436 104 1 . 1 1 42 42 VAL N N 42 121.846 121.846 120.251 1.595 19436 105 1 . 1 1 42 42 VAL HA H 42 3.510 3.510 3.931 -0.421 19436 106 1 . 1 1 42 42 VAL CA C 42 65.888 65.888 63.154 2.734 19436 107 1 . 1 1 42 42 VAL CB C 42 31.208 31.208 31.408 -0.200 19436 108 1 . 1 1 42 42 VAL H H 42 7.784 7.784 8.443 -0.659 19436 109 1 . 1 1 43 43 THR N N 43 109.158 109.158 113.955 -4.797 19436 110 1 . 1 1 43 43 THR HA H 43 4.996 4.996 4.195 0.800 19436 111 1 . 1 1 43 43 THR CA C 43 59.964 59.964 63.651 -3.687 19436 112 1 . 1 1 43 43 THR CB C 43 12.133 12.133 68.767 -56.634 19436 113 1 . 1 1 43 43 THR H H 43 8.911 8.911 8.195 0.716 19436 114 1 . 1 1 44 44 ARG N N 44 120.175 120.175 117.089 3.086 19436 115 1 . 1 1 44 44 ARG HA H 44 3.936 3.936 4.331 -0.395 19436 116 1 . 1 1 44 44 ARG CA C 44 60.596 60.596 56.022 4.574 19436 117 1 . 1 1 44 44 ARG CB C 44 29.617 29.617 30.422 -0.805 19436 118 1 . 1 1 44 44 ARG H H 44 9.305 9.305 8.189 1.116 19436 119 1 . 1 1 45 45 SER N N 45 114.367 114.367 115.960 -1.593 19436 120 1 . 1 1 45 45 SER HA H 45 4.118 4.118 4.485 -0.367 19436 121 1 . 1 1 45 45 SER CA C 45 62.355 62.355 57.845 4.510 19436 122 1 . 1 1 45 45 SER CB C 45 62.355 62.355 62.169 0.186 19436 123 1 . 1 1 45 45 SER H H 45 8.192 8.192 7.797 0.395 19436 124 1 . 1 1 46 46 ASP N N 46 120.511 120.511 124.591 -4.080 19436 125 1 . 1 1 46 46 ASP HA H 46 4.396 4.396 4.556 -0.160 19436 126 1 . 1 1 46 46 ASP C C 46 177.220 177.220 175.253 1.967 19436 127 1 . 1 1 46 46 ASP CA C 46 58.113 58.113 54.281 3.832 19436 128 1 . 1 1 46 46 ASP CB C 46 43.287 43.287 41.606 1.681 19436 129 1 . 1 1 46 46 ASP H H 46 7.354 7.354 8.365 -1.011 19436 130 1 . 1 1 47 47 ALA N N 47 120.606 120.606 122.644 -2.038 19436 131 1 . 1 1 47 47 ALA HA H 47 3.736 3.736 4.417 -0.681 19436 132 1 . 1 1 47 47 ALA C C 47 178.603 178.603 177.046 1.557 19436 133 1 . 1 1 47 47 ALA CA C 47 54.879 54.879 52.151 2.728 19436 134 1 . 1 1 47 47 ALA CB C 47 19.739 19.739 19.636 0.103 19436 135 1 . 1 1 47 47 ALA H H 47 7.838 7.838 8.025 -0.187 19436 136 1 . 1 1 48 48 ARG N N 48 116.233 116.233 121.384 -5.151 19436 137 1 . 1 1 48 48 ARG HA H 48 3.796 3.796 4.397 -0.601 19436 138 1 . 1 1 48 48 ARG C C 48 177.903 177.903 175.340 2.563 19436 139 1 . 1 1 48 48 ARG CA C 48 61.517 61.517 56.773 4.744 19436 140 1 . 1 1 48 48 ARG CB C 48 30.351 30.351 31.142 -0.791 19436 141 1 . 1 1 48 48 ARG H H 48 8.060 8.060 8.182 -0.122 19436 142 1 . 1 1 49 49 VAL N N 49 119.026 119.026 119.596 -0.570 19436 143 1 . 1 1 49 49 VAL HA H 49 3.636 3.636 4.478 -0.842 19436 144 1 . 1 1 49 49 VAL C C 49 177.817 177.817 174.161 3.656 19436 145 1 . 1 1 49 49 VAL CA C 49 67.018 67.018 59.775 7.243 19436 146 1 . 1 1 49 49 VAL CB C 49 31.821 31.821 31.927 -0.106 19436 147 1 . 1 1 49 49 VAL H H 49 7.413 7.413 7.819 -0.406 19436 148 1 . 1 1 50 50 LEU HA H 50 4.113 4.113 4.593 -0.480 19436 149 1 . 1 1 50 50 LEU C C 50 180.992 180.992 174.971 6.021 19436 150 1 . 1 1 50 50 LEU CA C 50 58.382 58.382 53.640 4.742 19436 151 1 . 1 1 50 50 LEU CB C 50 41.668 41.668 41.771 -0.103 19436 152 1 . 1 1 51 51 ILE HA H 51 3.698 3.698 4.317 -0.619 19436 153 1 . 1 1 51 51 ILE C C 51 178.708 178.708 175.116 3.592 19436 154 1 . 1 1 51 51 ILE CA C 51 65.868 65.868 61.126 4.742 19436 155 1 . 1 1 51 51 ILE CB C 51 38.755 38.755 38.706 0.049 19436 156 1 . 1 1 52 52 PHE N N 52 123.370 123.370 120.456 2.914 19436 157 1 . 1 1 52 52 PHE HA H 52 4.174 4.174 4.596 -0.422 19436 158 1 . 1 1 52 52 PHE C C 52 176.998 176.998 175.380 1.618 19436 159 1 . 1 1 52 52 PHE CA C 52 62.566 62.566 57.933 4.633 19436 160 1 . 1 1 52 52 PHE CB C 52 39.295 39.295 39.880 -0.585 19436 161 1 . 1 1 52 52 PHE H H 52 8.748 8.748 8.437 0.311 19436 162 1 . 1 1 53 53 ASN N N 53 117.944 117.944 118.995 -1.051 19436 163 1 . 1 1 53 53 ASN HA H 53 4.478 4.478 4.792 -0.314 19436 164 1 . 1 1 53 53 ASN C C 53 178.706 178.706 174.727 3.979 19436 165 1 . 1 1 53 53 ASN CA C 53 56.027 56.027 53.412 2.615 19436 166 1 . 1 1 53 53 ASN CB C 53 37.883 37.883 39.358 -1.475 19436 167 1 . 1 1 53 53 ASN H H 53 8.990 8.990 8.383 0.607 19436 168 1 . 1 1 54 54 GLU N N 54 121.168 121.168 120.280 0.888 19436 169 1 . 1 1 54 54 GLU HA H 54 4.123 4.123 4.425 -0.302 19436 170 1 . 1 1 54 54 GLU C C 54 177.753 177.753 175.620 2.133 19436 171 1 . 1 1 54 54 GLU CA C 54 59.415 59.415 56.326 3.089 19436 172 1 . 1 1 54 54 GLU CB C 54 30.146 30.146 30.287 -0.141 19436 173 1 . 1 1 54 54 GLU H H 54 8.177 8.177 8.362 -0.185 19436 174 1 . 1 1 55 55 TRP N N 55 122.549 122.549 122.152 0.397 19436 175 1 . 1 1 55 55 TRP HA H 55 4.018 4.018 4.640 -0.622 19436 176 1 . 1 1 55 55 TRP C C 55 176.647 176.647 175.625 1.022 19436 177 1 . 1 1 55 55 TRP CA C 55 61.743 61.743 58.295 3.448 19436 178 1 . 1 1 55 55 TRP CB C 55 27.960 27.960 28.740 -0.780 19436 179 1 . 1 1 55 55 TRP H H 55 8.160 8.160 8.255 -0.095 19436 180 1 . 1 1 56 56 GLU N N 56 117.397 117.397 119.771 -2.374 19436 181 1 . 1 1 56 56 GLU HA H 56 2.962 2.962 4.602 -1.640 19436 182 1 . 1 1 56 56 GLU C C 56 178.417 178.417 174.487 3.930 19436 183 1 . 1 1 56 56 GLU CA C 56 59.739 59.739 54.622 5.117 19436 184 1 . 1 1 56 56 GLU CB C 56 29.601 29.601 30.337 -0.737 19436 185 1 . 1 1 56 56 GLU H H 56 8.558 8.558 8.313 0.245 19436 186 1 . 1 1 57 57 GLU HA H 57 4.049 4.049 4.482 -0.433 19436 187 1 . 1 1 57 57 GLU C C 57 179.462 179.462 176.687 2.775 19436 188 1 . 1 1 57 57 GLU CA C 57 58.264 58.264 56.329 1.935 19436 189 1 . 1 1 57 57 GLU CB C 57 29.826 29.826 29.822 0.004 19436 190 1 . 1 1 58 58 ARG N N 58 120.321 120.321 121.257 -0.936 19436 191 1 . 1 1 58 58 ARG HA H 58 3.922 3.922 4.076 -0.154 19436 192 1 . 1 1 58 58 ARG C C 58 178.832 178.832 175.027 3.805 19436 193 1 . 1 1 58 58 ARG CA C 58 58.846 58.846 55.731 3.115 19436 194 1 . 1 1 58 58 ARG H H 58 8.420 8.420 8.313 0.107 19436 195 1 . 1 1 59 59 LYS N N 59 118.447 118.447 120.019 -1.572 19436 196 1 . 1 1 59 59 LYS HA H 59 3.681 3.681 4.528 -0.847 19436 197 1 . 1 1 59 59 LYS C C 59 176.846 176.846 175.488 1.358 19436 198 1 . 1 1 59 59 LYS CA C 59 57.540 57.540 56.441 1.100 19436 199 1 . 1 1 59 59 LYS CB C 59 30.572 30.572 33.398 -2.826 19436 200 1 . 1 1 59 59 LYS H H 59 8.436 8.436 8.208 0.228 19436 201 1 . 1 1 60 60 LYS N N 60 117.663 117.663 120.364 -2.701 19436 202 1 . 1 1 60 60 LYS HA H 60 3.817 3.817 4.666 -0.849 19436 203 1 . 1 1 60 60 LYS C C 60 177.762 177.762 176.002 1.760 19436 204 1 . 1 1 60 60 LYS CA C 60 59.207 59.207 55.714 3.493 19436 205 1 . 1 1 60 60 LYS CB C 60 32.269 32.269 34.185 -1.916 19436 206 1 . 1 1 60 60 LYS H H 60 6.904 6.904 8.269 -1.365 19436 207 1 . 1 1 61 61 SER N N 61 110.383 110.383 115.882 -5.499 19436 208 1 . 1 1 61 61 SER HA H 61 4.527 4.527 5.048 -0.522 19436 209 1 . 1 1 61 61 SER C C 61 174.006 174.006 172.809 1.197 19436 210 1 . 1 1 61 61 SER CA C 61 58.671 58.671 57.296 1.375 19436 211 1 . 1 1 61 61 SER CB C 61 64.444 64.444 65.558 -1.114 19436 212 1 . 1 1 61 61 SER H H 61 7.381 7.381 8.400 -1.019 19436 213 1 . 1 1 62 62 GLU N N 62 121.734 121.734 122.708 -0.974 19436 214 1 . 1 1 62 62 GLU HA H 62 3.681 3.681 4.684 -1.003 19436 215 1 . 1 1 62 62 GLU C C 62 172.751 172.751 174.714 -1.963 19436 216 1 . 1 1 62 62 GLU CA C 62 52.861 52.861 55.533 -2.672 19436 217 1 . 1 1 62 62 GLU CB C 62 30.206 30.206 30.744 -0.538 19436 218 1 . 1 1 62 62 GLU H H 62 7.625 7.625 9.398 -1.773 19436 219 1 . 1 1 63 63 PRO HA H 63 4.267 4.267 5.102 -0.835 19436 220 1 . 1 1 63 63 PRO C C 63 176.541 176.541 177.004 -0.463 19436 221 1 . 1 1 63 63 PRO CA C 63 64.621 64.621 61.352 3.269 19436 222 1 . 1 1 63 63 PRO CB C 63 31.452 31.452 35.620 -4.168 19436 223 1 . 1 1 64 64 TRP N N 64 115.298 115.298 120.955 -5.657 19436 224 1 . 1 1 64 64 TRP HA H 64 4.645 4.645 4.774 -0.129 19436 225 1 . 1 1 64 64 TRP C C 64 176.530 176.530 176.514 0.016 19436 226 1 . 1 1 64 64 TRP CA C 64 56.604 56.604 57.760 -1.156 19436 227 1 . 1 1 64 64 TRP CB C 64 28.026 28.026 31.471 -3.445 19436 228 1 . 1 1 64 64 TRP H H 64 6.837 6.837 8.560 -1.723 19436 229 1 . 1 1 65 65 LEU N N 65 125.040 125.040 125.956 -0.916 19436 230 1 . 1 1 65 65 LEU HA H 65 4.149 4.149 4.447 -0.298 19436 231 1 . 1 1 65 65 LEU C C 65 177.528 177.528 175.673 1.855 19436 232 1 . 1 1 65 65 LEU CA C 65 56.277 56.277 55.433 0.844 19436 233 1 . 1 1 65 65 LEU CB C 65 43.152 43.152 42.904 0.248 19436 234 1 . 1 1 65 65 LEU H H 65 7.252 7.252 8.876 -1.624 19436 235 1 . 1 1 66 66 ARG N N 66 128.225 128.225 117.126 11.099 19436 236 1 . 1 1 66 66 ARG HA H 66 4.578 4.578 4.500 0.078 19436 237 1 . 1 1 66 66 ARG C C 66 175.757 175.757 175.789 -0.032 19436 238 1 . 1 1 66 66 ARG CA C 66 55.105 55.105 54.660 0.445 19436 239 1 . 1 1 66 66 ARG CB C 66 31.397 31.397 32.886 -1.489 19436 240 1 . 1 1 66 66 ARG H H 66 8.892 8.892 7.920 0.972 19436 241 1 . 1 1 67 67 LEU N N 67 127.896 127.896 121.398 6.498 19436 242 1 . 1 1 67 67 LEU HA H 67 3.560 3.560 4.084 -0.524 19436 243 1 . 1 1 67 67 LEU C C 67 175.383 175.383 175.808 -0.425 19436 244 1 . 1 1 67 67 LEU CA C 67 54.595 54.595 54.543 0.052 19436 245 1 . 1 1 67 67 LEU H H 67 8.328 8.328 8.360 -0.032 19436 246 1 . 1 1 68 68 ASP HA H 68 4.719 4.719 4.579 0.140 19436 247 1 . 1 1 68 68 ASP C C 68 174.373 174.373 175.812 -1.438 19436 248 1 . 1 1 68 68 ASP CA C 68 52.936 52.936 55.699 -2.763 19436 249 1 . 1 1 68 68 ASP CB C 68 41.363 41.363 40.832 0.531 19436 250 1 . 1 1 69 69 MET N N 69 122.596 122.596 116.819 5.777 19436 251 1 . 1 1 69 69 MET HA H 69 4.539 4.539 4.630 -0.091 19436 252 1 . 1 1 69 69 MET C C 69 174.798 174.798 175.419 -0.621 19436 253 1 . 1 1 69 69 MET CA C 69 53.657 53.657 53.916 -0.259 19436 254 1 . 1 1 69 69 MET CB C 69 33.356 33.356 31.812 1.544 19436 255 1 . 1 1 69 69 MET H H 69 8.777 8.777 7.967 0.810 19436 256 1 . 1 1 70 70 SER N N 70 116.028 116.028 114.757 1.271 19436 257 1 . 1 1 70 70 SER HA H 70 4.183 4.183 4.388 -0.205 19436 258 1 . 1 1 70 70 SER C C 70 173.995 173.995 175.655 -1.660 19436 259 1 . 1 1 70 70 SER CA C 70 58.683 58.683 59.384 -0.701 19436 260 1 . 1 1 70 70 SER CB C 70 64.826 64.826 62.747 2.079 19436 261 1 . 1 1 70 70 SER H H 70 8.179 8.179 7.643 0.536 19436 262 1 . 1 1 71 71 ASP N N 71 121.658 121.658 124.841 -3.183 19436 263 1 . 1 1 71 71 ASP HA H 71 3.788 3.788 4.306 -0.518 19436 264 1 . 1 1 71 71 ASP C C 71 176.757 176.757 175.682 1.075 19436 265 1 . 1 1 71 71 ASP CA C 71 57.426 57.426 54.054 3.372 19436 266 1 . 1 1 71 71 ASP H H 71 8.789 8.789 9.015 -0.226 19436 267 1 . 1 1 72 72 LYS N N 72 116.258 116.258 120.251 -3.993 19436 268 1 . 1 1 72 72 LYS HA H 72 3.751 3.751 4.861 -1.110 19436 269 1 . 1 1 72 72 LYS C C 72 178.882 178.882 174.611 4.271 19436 270 1 . 1 1 72 72 LYS CA C 72 59.891 59.891 53.117 6.774 19436 271 1 . 1 1 72 72 LYS CB C 72 32.195 32.195 33.042 -0.847 19436 272 1 . 1 1 72 72 LYS H H 72 7.876 7.876 8.018 -0.142 19436 273 1 . 1 1 73 73 ALA HA H 73 3.939 3.939 4.725 -0.786 19436 274 1 . 1 1 73 73 ALA C C 73 181.112 181.112 177.394 3.718 19436 275 1 . 1 1 73 73 ALA CA C 73 55.118 55.118 51.205 3.913 19436 276 1 . 1 1 73 73 ALA CB C 73 17.847 17.847 19.791 -1.944 19436 277 1 . 1 1 74 74 ILE N N 74 119.583 119.583 117.040 2.543 19436 278 1 . 1 1 74 74 ILE HA H 74 3.477 3.477 4.397 -0.920 19436 279 1 . 1 1 74 74 ILE C C 74 177.697 177.697 176.459 1.238 19436 280 1 . 1 1 74 74 ILE CA C 74 66.112 66.112 61.645 4.467 19436 281 1 . 1 1 74 74 ILE CB C 74 37.678 37.678 39.040 -1.362 19436 282 1 . 1 1 74 74 ILE H H 74 8.119 8.119 8.271 -0.152 19436 283 1 . 1 1 75 75 PHE N N 75 117.768 117.768 115.641 2.127 19436 284 1 . 1 1 75 75 PHE HA H 75 4.431 4.431 4.844 -0.413 19436 285 1 . 1 1 75 75 PHE C C 75 177.987 177.987 175.832 2.155 19436 286 1 . 1 1 75 75 PHE CA C 75 56.968 56.968 55.290 1.678 19436 287 1 . 1 1 75 75 PHE CB C 75 37.281 37.281 42.178 -4.897 19436 288 1 . 1 1 75 75 PHE H H 75 8.553 8.553 8.049 0.504 19436 289 1 . 1 1 76 76 ARG N N 76 117.370 117.370 121.501 -4.131 19436 290 1 . 1 1 76 76 ARG HA H 76 4.059 4.059 4.016 0.043 19436 291 1 . 1 1 76 76 ARG C C 76 177.520 177.520 178.212 -0.692 19436 292 1 . 1 1 76 76 ARG CA C 76 58.690 58.690 60.142 -1.453 19436 293 1 . 1 1 76 76 ARG CB C 76 30.417 30.417 29.953 0.464 19436 294 1 . 1 1 76 76 ARG H H 76 7.532 7.532 8.825 -1.293 19436 295 1 . 1 1 77 77 ARG N N 77 117.482 117.482 119.766 -2.284 19436 296 1 . 1 1 77 77 ARG HA H 77 3.967 3.967 4.030 -0.063 19436 297 1 . 1 1 77 77 ARG C C 77 176.168 176.168 178.135 -1.967 19436 298 1 . 1 1 77 77 ARG CA C 77 57.472 57.472 59.359 -1.887 19436 299 1 . 1 1 77 77 ARG CB C 77 31.746 31.746 29.750 1.996 19436 300 1 . 1 1 77 77 ARG H H 77 7.222 7.222 8.223 -1.001 19436 301 1 . 1 1 78 78 TYR N N 78 116.126 116.126 122.499 -6.373 19436 302 1 . 1 1 78 78 TYR HA H 78 5.333 5.333 4.250 1.083 19436 303 1 . 1 1 78 78 TYR C C 78 172.361 172.361 178.028 -5.667 19436 304 1 . 1 1 78 78 TYR CB C 78 38.546 38.546 37.983 0.563 19436 305 1 . 1 1 78 78 TYR H H 78 8.823 8.823 7.854 0.969 19436 306 1 . 1 1 79 79 PRO HA H 79 4.441 4.441 3.947 0.494 19436 307 1 . 1 1 79 79 PRO C C 79 178.491 178.491 179.381 -0.890 19436 308 1 . 1 1 79 79 PRO CA C 79 64.854 64.854 66.212 -1.358 19436 309 1 . 1 1 79 79 PRO CB C 79 31.694 31.694 31.073 0.621 19436 310 1 . 1 1 80 80 HIS N N 80 115.604 115.604 117.354 -1.749 19436 311 1 . 1 1 80 80 HIS HA H 80 4.549 4.549 4.245 0.304 19436 312 1 . 1 1 80 80 HIS C C 80 176.202 176.202 177.674 -1.472 19436 313 1 . 1 1 80 80 HIS CA C 80 58.597 58.597 59.372 -0.775 19436 314 1 . 1 1 80 80 HIS CB C 80 29.685 29.685 29.693 -0.008 19436 315 1 . 1 1 80 80 HIS H H 80 8.274 8.274 8.113 0.161 19436 316 1 . 1 1 81 81 LEU N N 81 120.646 120.646 121.882 -1.236 19436 317 1 . 1 1 81 81 LEU HA H 81 4.228 4.228 4.007 0.221 19436 318 1 . 1 1 81 81 LEU C C 81 175.906 175.906 178.613 -2.707 19436 319 1 . 1 1 81 81 LEU CA C 81 54.105 54.105 59.715 -5.610 19436 320 1 . 1 1 81 81 LEU CB C 81 41.759 41.759 41.838 -0.079 19436 321 1 . 1 1 81 81 LEU H H 81 7.609 7.609 8.296 -0.687 19436 322 1 . 1 1 82 82 ARG N N 82 125.478 125.478 119.691 5.787 19436 323 1 . 1 1 82 82 ARG C C 82 180.927 180.927 178.707 2.220 19436 324 1 . 1 1 82 82 ARG H H 82 7.079 7.079 8.372 -1.293 19436 stop_ save_