data_18219 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18219 _Entry.PDB_ID 2LOO 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 18219 _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 11 11 ASP N N 2 120.536 120.536 123.378 -2.842 18219 2 1 1 . 1 1 11 11 ASP CA C 2 55.918 55.918 54.278 1.640 18219 3 1 1 . 1 1 11 11 ASP CB C 2 37.959 37.959 41.793 -3.834 18219 4 1 1 . 1 1 11 11 ASP H H 2 7.863 7.863 8.302 -0.439 18219 5 1 1 . 1 1 12 12 LEU N N 3 121.414 121.414 122.677 -1.263 18219 6 1 1 . 1 1 12 12 LEU C C 3 176.162 176.162 178.719 -2.557 18219 7 1 1 . 1 1 12 12 LEU CA C 3 57.600 57.600 55.505 2.095 18219 8 1 1 . 1 1 12 12 LEU CB C 3 41.657 41.657 42.761 -1.104 18219 9 1 1 . 1 1 12 12 LEU H H 3 8.285 8.285 8.057 0.228 18219 10 1 1 . 1 1 13 13 ILE N N 4 118.854 118.854 118.973 -0.119 18219 11 1 1 . 1 1 13 13 ILE HA H 4 3.740 3.740 3.846 -0.106 18219 12 1 1 . 1 1 13 13 ILE C C 4 175.228 175.228 177.507 -2.279 18219 13 1 1 . 1 1 13 13 ILE CA C 4 64.500 64.500 63.605 0.895 18219 14 1 1 . 1 1 13 13 ILE CB C 4 37.102 37.102 37.766 -0.663 18219 15 1 1 . 1 1 13 13 ILE H H 4 8.031 8.031 7.980 0.051 18219 16 1 1 . 1 1 14 14 GLY N N 5 107.478 107.478 106.531 0.947 18219 17 1 1 . 1 1 14 14 GLY C C 5 174.424 174.424 176.146 -1.722 18219 18 1 1 . 1 1 14 14 GLY CA C 5 47.059 47.059 46.727 0.332 18219 19 1 1 . 1 1 14 14 GLY H H 5 8.148 8.148 8.175 -0.027 18219 20 1 1 . 1 1 15 15 PHE N N 6 122.774 122.774 124.208 -1.434 18219 21 1 1 . 1 1 15 15 PHE HA H 6 4.480 4.480 4.299 0.181 18219 22 1 1 . 1 1 15 15 PHE C C 6 175.113 175.113 177.308 -2.195 18219 23 1 1 . 1 1 15 15 PHE CA C 6 60.017 60.017 61.548 -1.532 18219 24 1 1 . 1 1 15 15 PHE CB C 6 38.774 38.774 38.694 0.080 18219 25 1 1 . 1 1 15 15 PHE H H 6 8.194 8.194 8.625 -0.431 18219 26 1 1 . 1 1 16 16 GLY N N 7 107.938 107.938 106.952 0.986 18219 27 1 1 . 1 1 16 16 GLY C C 7 171.838 171.838 175.765 -3.927 18219 28 1 1 . 1 1 16 16 GLY CA C 7 47.100 47.100 47.649 -0.549 18219 29 1 1 . 1 1 16 16 GLY H H 7 8.697 8.697 8.460 0.237 18219 30 1 1 . 1 1 17 17 TYR N N 8 121.785 121.785 122.964 -1.179 18219 31 1 1 . 1 1 17 17 TYR HA H 8 4.150 4.150 4.110 0.040 18219 32 1 1 . 1 1 17 17 TYR C C 8 174.180 174.180 177.680 -3.500 18219 33 1 1 . 1 1 17 17 TYR CA C 8 61.300 61.300 61.562 -0.262 18219 34 1 1 . 1 1 17 17 TYR CB C 8 37.959 37.959 38.289 -0.330 18219 35 1 1 . 1 1 17 17 TYR H H 8 8.710 8.710 8.362 0.348 18219 36 1 1 . 1 1 18 18 ALA N N 9 120.233 120.233 120.715 -0.482 18219 37 1 1 . 1 1 18 18 ALA HA H 9 3.950 3.950 3.958 -0.008 18219 38 1 1 . 1 1 18 18 ALA C C 9 178.059 178.059 179.104 -1.045 18219 39 1 1 . 1 1 18 18 ALA CA C 9 54.872 54.872 54.477 0.395 18219 40 1 1 . 1 1 18 18 ALA CB C 9 17.562 17.562 17.496 0.066 18219 41 1 1 . 1 1 18 18 ALA H H 9 7.843 7.843 7.815 0.028 18219 42 1 1 . 1 1 19 19 ALA N N 10 121.797 121.797 122.872 -1.075 18219 43 1 1 . 1 1 19 19 ALA HA H 10 3.950 3.950 3.885 0.065 18219 44 1 1 . 1 1 19 19 ALA C C 10 176.191 176.191 179.343 -3.152 18219 45 1 1 . 1 1 19 19 ALA CA C 10 54.600 54.600 54.833 -0.233 18219 46 1 1 . 1 1 19 19 ALA CB C 10 17.562 17.562 18.221 -0.659 18219 47 1 1 . 1 1 19 19 ALA H H 10 8.212 8.212 8.119 0.093 18219 48 1 1 . 1 1 20 20 LEU N N 11 119.442 119.442 117.416 2.026 18219 49 1 1 . 1 1 20 20 LEU HA H 11 3.937 3.937 3.937 0.000 18219 50 1 1 . 1 1 20 20 LEU C C 11 176.694 176.694 178.810 -2.116 18219 51 1 1 . 1 1 20 20 LEU CA C 11 57.800 57.800 57.919 -0.119 18219 52 1 1 . 1 1 20 20 LEU CB C 11 41.222 41.222 41.079 0.143 18219 53 1 1 . 1 1 20 20 LEU H H 11 8.065 8.065 8.191 -0.126 18219 54 1 1 . 1 1 21 21 VAL N N 12 118.323 118.323 120.364 -2.041 18219 55 1 1 . 1 1 21 21 VAL HA H 12 3.640 3.640 3.485 0.155 18219 56 1 1 . 1 1 21 21 VAL C C 12 176.536 176.536 178.485 -1.949 18219 57 1 1 . 1 1 21 21 VAL CA C 12 65.400 65.400 67.086 -1.686 18219 58 1 1 . 1 1 21 21 VAL CB C 12 31.135 31.135 30.829 0.306 18219 59 1 1 . 1 1 21 21 VAL H H 12 8.051 8.051 8.315 -0.264 18219 60 1 1 . 1 1 22 22 THR N N 13 118.298 118.298 116.421 1.877 18219 61 1 1 . 1 1 22 22 THR HA H 13 4.660 4.660 4.006 0.654 18219 62 1 1 . 1 1 22 22 THR C C 13 173.734 173.734 176.460 -2.726 18219 63 1 1 . 1 1 22 22 THR CA C 13 66.300 66.300 66.923 -0.623 18219 64 1 1 . 1 1 22 22 THR CB C 13 67.775 67.775 68.552 -0.777 18219 65 1 1 . 1 1 22 22 THR H H 13 7.944 7.944 7.873 0.071 18219 66 1 1 . 1 1 23 23 PHE N N 14 121.328 121.328 122.252 -0.924 18219 67 1 1 . 1 1 23 23 PHE HA H 14 4.340 4.340 4.195 0.145 18219 68 1 1 . 1 1 23 23 PHE C C 14 174.783 174.783 177.440 -2.657 18219 69 1 1 . 1 1 23 23 PHE CA C 14 60.500 60.500 61.476 -0.976 18219 70 1 1 . 1 1 23 23 PHE CB C 14 38.626 38.626 38.753 -0.127 18219 71 1 1 . 1 1 23 23 PHE H H 14 8.567 8.567 8.408 0.159 18219 72 1 1 . 1 1 24 24 GLY N N 15 106.871 106.871 105.118 1.753 18219 73 1 1 . 1 1 24 24 GLY C C 15 172.858 172.858 176.678 -3.820 18219 74 1 1 . 1 1 24 24 GLY CA C 15 46.900 46.900 47.233 -0.333 18219 75 1 1 . 1 1 24 24 GLY H H 15 8.475 8.475 9.007 -0.532 18219 76 1 1 . 1 1 25 25 SER N N 16 116.214 116.214 118.607 -2.393 18219 77 1 1 . 1 1 25 25 SER HA H 16 4.280 4.280 4.360 -0.080 18219 78 1 1 . 1 1 25 25 SER CA C 16 60.300 60.300 61.759 -1.459 18219 79 1 1 . 1 1 25 25 SER CB C 16 62.879 62.879 63.000 -0.121 18219 80 1 1 . 1 1 25 25 SER H H 16 7.963 7.963 7.999 -0.036 18219 81 1 1 . 1 1 26 26 ILE N N 17 121.024 121.024 121.473 -0.449 18219 82 1 1 . 1 1 26 26 ILE HA H 17 3.946 3.946 3.740 0.206 18219 83 1 1 . 1 1 26 26 ILE C C 17 173.935 173.935 177.476 -3.541 18219 84 1 1 . 1 1 26 26 ILE CA C 17 63.100 63.100 65.150 -2.050 18219 85 1 1 . 1 1 26 26 ILE CB C 17 38.107 38.107 38.191 -0.083 18219 86 1 1 . 1 1 26 26 ILE H H 17 7.676 7.676 7.946 -0.270 18219 87 1 1 . 1 1 27 27 PHE N N 18 117.142 117.142 118.212 -1.070 18219 88 1 1 . 1 1 27 27 PHE HA H 18 4.430 4.430 3.987 0.443 18219 89 1 1 . 1 1 27 27 PHE C C 18 173.504 173.504 177.248 -3.744 18219 90 1 1 . 1 1 27 27 PHE CA C 18 58.500 58.500 60.693 -2.193 18219 91 1 1 . 1 1 27 27 PHE CB C 18 38.774 38.774 39.040 -0.266 18219 92 1 1 . 1 1 27 27 PHE H H 18 7.703 7.703 8.114 -0.411 18219 93 1 1 . 1 1 28 28 GLY N N 19 107.303 107.303 105.840 1.463 18219 94 1 1 . 1 1 28 28 GLY C C 19 171.593 171.593 174.918 -3.325 18219 95 1 1 . 1 1 28 28 GLY CA C 19 45.600 45.600 45.513 0.087 18219 96 1 1 . 1 1 28 28 GLY H H 19 7.722 7.722 7.712 0.010 18219 97 1 1 . 1 1 29 29 TYR N N 20 119.862 119.862 121.560 -1.698 18219 98 1 1 . 1 1 29 29 TYR HA H 20 4.392 4.392 4.128 0.264 18219 99 1 1 . 1 1 29 29 TYR C C 20 173.174 173.174 176.090 -2.916 18219 100 1 1 . 1 1 29 29 TYR CA C 20 58.500 58.500 58.946 -0.446 18219 101 1 1 . 1 1 29 29 TYR CB C 20 38.404 38.404 38.946 -0.542 18219 102 1 1 . 1 1 29 29 TYR H H 20 7.880 7.880 7.810 0.070 18219 103 1 1 . 1 1 30 30 LYS N N 21 122.335 122.335 123.470 -1.135 18219 104 1 1 . 1 1 30 30 LYS HA H 21 4.390 4.390 4.103 0.287 18219 105 1 1 . 1 1 30 30 LYS C C 21 173.547 173.547 176.758 -3.211 18219 106 1 1 . 1 1 30 30 LYS CA C 21 55.800 55.800 57.191 -1.391 18219 107 1 1 . 1 1 30 30 LYS CB C 21 32.396 32.396 33.120 -0.724 18219 108 1 1 . 1 1 30 30 LYS H H 21 7.934 7.934 8.222 -0.288 18219 109 1 1 . 1 1 31 31 ARG N N 22 120.612 120.612 122.269 -1.657 18219 110 1 1 . 1 1 31 31 ARG C C 22 173.547 173.547 176.526 -2.979 18219 111 1 1 . 1 1 31 31 ARG CA C 22 55.834 55.834 56.440 -0.606 18219 112 1 1 . 1 1 31 31 ARG CB C 22 30.101 30.101 30.703 -0.602 18219 113 1 1 . 1 1 31 31 ARG H H 22 7.905 7.905 8.420 -0.515 18219 114 1 1 . 1 1 32 32 ARG N N 23 121.748 121.748 121.652 0.096 18219 115 1 1 . 1 1 32 32 ARG HA H 23 4.310 4.310 3.985 0.325 18219 116 1 1 . 1 1 32 32 ARG C C 23 173.863 173.863 176.363 -2.500 18219 117 1 1 . 1 1 32 32 ARG CA C 23 55.800 55.800 57.401 -1.601 18219 118 1 1 . 1 1 32 32 ARG CB C 23 30.245 30.245 30.207 0.038 18219 119 1 1 . 1 1 32 32 ARG H H 23 8.175 8.175 8.728 -0.553 18219 120 1 1 . 1 1 33 33 GLY N N 24 109.528 109.528 104.457 5.071 18219 121 1 1 . 1 1 33 33 GLY C C 24 171.752 171.752 173.484 -1.732 18219 122 1 1 . 1 1 33 33 GLY CA C 24 44.900 44.900 44.128 0.772 18219 123 1 1 . 1 1 33 33 GLY H H 24 8.264 8.264 7.571 0.693 18219 124 1 1 . 1 1 34 34 GLY N N 25 108.563 108.563 107.314 1.249 18219 125 1 1 . 1 1 34 34 GLY C C 25 171.701 171.701 175.487 -3.786 18219 126 1 1 . 1 1 34 34 GLY CA C 25 44.600 44.600 44.935 -0.335 18219 127 1 1 . 1 1 34 34 GLY H H 25 8.208 8.208 8.174 0.034 18219 128 1 1 . 1 1 35 35 VAL N N 26 121.164 121.164 123.078 -1.914 18219 129 1 1 . 1 1 35 35 VAL HA H 26 4.010 4.010 3.881 0.129 18219 130 1 1 . 1 1 35 35 VAL C C 26 175.888 175.888 175.539 0.349 18219 131 1 1 . 1 1 35 35 VAL CA C 26 63.900 63.900 66.456 -2.556 18219 132 1 1 . 1 1 35 35 VAL CB C 26 30.690 30.690 29.820 0.870 18219 133 1 1 . 1 1 35 35 VAL H H 26 8.485 8.485 8.204 0.281 18219 134 1 1 . 1 1 36 36 PRO C C 27 177.660 177.660 176.013 1.647 18219 135 1 1 . 1 1 36 36 PRO CA C 27 61.847 61.847 62.829 -0.982 18219 136 1 1 . 1 1 37 37 SER N N 28 116.023 116.023 113.530 2.493 18219 137 1 1 . 1 1 37 37 SER HA H 28 4.280 4.280 4.475 -0.195 18219 138 1 1 . 1 1 37 37 SER CA C 28 61.100 61.100 59.193 1.907 18219 139 1 1 . 1 1 37 37 SER H H 28 7.948 7.948 8.200 -0.252 18219 140 1 1 . 1 1 38 38 LEU N N 29 124.029 124.029 121.339 2.690 18219 141 1 1 . 1 1 38 38 LEU HA H 29 4.170 4.170 4.056 0.114 18219 142 1 1 . 1 1 38 38 LEU C C 29 176.132 176.132 178.440 -2.308 18219 143 1 1 . 1 1 38 38 LEU CA C 29 57.500 57.500 58.142 -0.642 18219 144 1 1 . 1 1 38 38 LEU CB C 29 42.038 42.038 40.379 1.659 18219 145 1 1 . 1 1 38 38 LEU H H 29 8.201 8.201 8.022 0.179 18219 146 1 1 . 1 1 39 39 ILE N N 30 117.098 117.098 119.381 -2.283 18219 147 1 1 . 1 1 39 39 ILE HA H 30 4.370 4.370 3.722 0.648 18219 148 1 1 . 1 1 39 39 ILE C C 30 176.478 176.478 178.018 -1.540 18219 149 1 1 . 1 1 39 39 ILE CA C 30 63.079 63.079 64.774 -1.695 18219 150 1 1 . 1 1 39 39 ILE CB C 30 36.973 36.973 36.944 0.029 18219 151 1 1 . 1 1 39 39 ILE H H 30 7.662 7.662 8.043 -0.381 18219 152 1 1 . 1 1 40 40 ALA N N 31 122.447 122.447 122.368 0.079 18219 153 1 1 . 1 1 40 40 ALA HA H 31 4.034 4.034 4.057 -0.023 18219 154 1 1 . 1 1 40 40 ALA C C 31 177.067 177.067 179.683 -2.616 18219 155 1 1 . 1 1 40 40 ALA CA C 31 55.962 55.962 55.023 0.939 18219 156 1 1 . 1 1 40 40 ALA CB C 31 17.856 17.856 17.973 -0.117 18219 157 1 1 . 1 1 40 40 ALA H H 31 8.096 8.096 7.446 0.650 18219 158 1 1 . 1 1 41 41 GLY N N 32 104.056 104.056 108.197 -4.141 18219 159 1 1 . 1 1 41 41 GLY C C 32 174.251 174.251 175.766 -1.515 18219 160 1 1 . 1 1 41 41 GLY CA C 32 46.500 46.500 46.769 -0.269 18219 161 1 1 . 1 1 41 41 GLY H H 32 8.123 8.123 8.185 -0.062 18219 162 1 1 . 1 1 42 42 LEU N N 33 123.250 123.250 123.002 0.248 18219 163 1 1 . 1 1 42 42 LEU HA H 33 3.857 3.857 4.008 -0.151 18219 164 1 1 . 1 1 42 42 LEU C C 33 176.033 176.033 178.365 -2.332 18219 165 1 1 . 1 1 42 42 LEU CA C 33 56.668 56.668 57.954 -1.286 18219 166 1 1 . 1 1 42 42 LEU CB C 33 41.721 41.721 41.988 -0.267 18219 167 1 1 . 1 1 42 42 LEU H H 33 7.914 7.914 8.163 -0.249 18219 168 1 1 . 1 1 43 43 PHE N N 34 119.757 119.757 119.312 0.445 18219 169 1 1 . 1 1 43 43 PHE HA H 34 4.200 4.200 4.061 0.139 18219 170 1 1 . 1 1 43 43 PHE C C 34 174.374 174.374 177.573 -3.199 18219 171 1 1 . 1 1 43 43 PHE CA C 34 59.876 59.876 62.111 -2.235 18219 172 1 1 . 1 1 43 43 PHE CB C 34 38.834 38.834 38.860 -0.026 18219 173 1 1 . 1 1 43 43 PHE H H 34 8.287 8.287 8.265 0.022 18219 174 1 1 . 1 1 44 44 VAL N N 35 117.791 117.791 117.901 -0.110 18219 175 1 1 . 1 1 44 44 VAL HA H 35 3.610 3.610 3.553 0.057 18219 176 1 1 . 1 1 44 44 VAL C C 35 176.205 176.205 178.518 -2.313 18219 177 1 1 . 1 1 44 44 VAL CA C 35 64.559 64.559 67.187 -2.628 18219 178 1 1 . 1 1 44 44 VAL CB C 35 31.432 31.432 31.134 0.298 18219 179 1 1 . 1 1 44 44 VAL H H 35 8.235 8.235 8.346 -0.111 18219 180 1 1 . 1 1 45 45 GLY N N 36 108.551 108.551 107.039 1.512 18219 181 1 1 . 1 1 45 45 GLY C C 36 173.749 173.749 175.962 -2.213 18219 182 1 1 . 1 1 45 45 GLY CA C 36 46.083 46.083 47.107 -1.024 18219 183 1 1 . 1 1 45 45 GLY H H 36 8.178 8.178 8.412 -0.234 18219 184 1 1 . 1 1 46 46 CYS N N 37 121.173 121.173 122.168 -0.995 18219 185 1 1 . 1 1 46 46 CYS HA H 37 4.180 4.180 4.065 0.115 18219 186 1 1 . 1 1 46 46 CYS C C 37 173.710 173.710 176.742 -3.032 18219 187 1 1 . 1 1 46 46 CYS CA C 37 63.000 63.000 64.516 -1.516 18219 188 1 1 . 1 1 46 46 CYS CB C 37 60.283 60.283 27.356 32.927 18219 189 1 1 . 1 1 46 46 CYS H H 37 8.253 8.253 8.150 0.103 18219 190 1 1 . 1 1 47 47 LEU N N 38 120.283 120.283 119.378 0.905 18219 191 1 1 . 1 1 47 47 LEU HA H 38 4.060 4.060 3.943 0.117 18219 192 1 1 . 1 1 47 47 LEU C C 38 176.679 176.679 179.083 -2.404 18219 193 1 1 . 1 1 47 47 LEU CA C 38 56.027 56.027 57.649 -1.622 18219 194 1 1 . 1 1 47 47 LEU CB C 38 41.464 41.464 40.982 0.482 18219 195 1 1 . 1 1 47 47 LEU H H 38 7.965 7.965 8.228 -0.263 18219 196 1 1 . 1 1 48 48 ALA N N 39 122.249 122.249 122.241 0.008 18219 197 1 1 . 1 1 48 48 ALA HA H 39 4.142 4.142 4.024 0.118 18219 198 1 1 . 1 1 48 48 ALA C C 39 177.915 177.915 179.603 -1.688 18219 199 1 1 . 1 1 48 48 ALA CA C 39 53.717 53.717 55.019 -1.302 18219 200 1 1 . 1 1 48 48 ALA CB C 39 17.985 17.985 18.257 -0.272 18219 201 1 1 . 1 1 48 48 ALA H H 39 8.066 8.066 8.222 -0.156 18219 202 1 1 . 1 1 49 49 GLY N N 40 107.377 107.377 107.079 0.298 18219 203 1 1 . 1 1 49 49 GLY C C 40 172.527 172.527 175.347 -2.820 18219 204 1 1 . 1 1 49 49 GLY CA C 40 45.450 45.450 46.304 -0.854 18219 205 1 1 . 1 1 49 49 GLY H H 40 8.172 8.172 8.274 -0.102 18219 206 1 1 . 1 1 50 50 TYR N N 41 122.409 122.409 124.023 -1.614 18219 207 1 1 . 1 1 50 50 TYR HA H 41 3.799 3.799 3.920 -0.121 18219 208 1 1 . 1 1 50 50 TYR C C 41 174.208 174.208 176.960 -2.752 18219 209 1 1 . 1 1 50 50 TYR CA C 41 59.245 59.245 61.060 -1.815 18219 210 1 1 . 1 1 50 50 TYR CB C 41 37.936 37.936 38.454 -0.518 18219 211 1 1 . 1 1 50 50 TYR H H 41 7.800 7.800 8.634 -0.834 18219 212 1 1 . 1 1 51 51 GLY N N 42 106.935 106.935 104.473 2.462 18219 213 1 1 . 1 1 51 51 GLY C C 42 172.642 172.642 175.358 -2.716 18219 214 1 1 . 1 1 51 51 GLY CA C 42 46.265 46.265 45.438 0.827 18219 215 1 1 . 1 1 51 51 GLY H H 42 8.199 8.199 8.097 0.102 18219 216 1 1 . 1 1 52 52 ALA N N 43 123.018 123.018 125.768 -2.750 18219 217 1 1 . 1 1 52 52 ALA HA H 43 4.150 4.150 3.977 0.173 18219 218 1 1 . 1 1 52 52 ALA C C 43 176.398 176.398 179.609 -3.211 18219 219 1 1 . 1 1 52 52 ALA CA C 43 52.883 52.883 54.522 -1.639 18219 220 1 1 . 1 1 52 52 ALA CB C 43 18.241 18.241 18.047 0.194 18219 221 1 1 . 1 1 52 52 ALA H H 43 7.758 7.758 7.805 -0.047 18219 222 1 1 . 1 1 53 53 TYR N N 44 119.664 119.664 118.918 0.746 18219 223 1 1 . 1 1 53 53 TYR HA H 44 4.318 4.318 4.060 0.258 18219 224 1 1 . 1 1 53 53 TYR C C 44 174.180 174.180 177.807 -3.627 18219 225 1 1 . 1 1 53 53 TYR CA C 44 58.593 58.593 61.673 -3.080 18219 226 1 1 . 1 1 53 53 TYR CB C 44 38.192 38.192 38.492 -0.300 18219 227 1 1 . 1 1 53 53 TYR H H 44 7.920 7.920 8.296 -0.376 18219 228 1 1 . 1 1 54 54 ARG N N 45 119.516 119.516 116.018 3.498 18219 229 1 1 . 1 1 54 54 ARG HA H 45 3.930 3.930 4.429 -0.499 18219 230 1 1 . 1 1 54 54 ARG C C 45 174.423 174.423 176.755 -2.332 18219 231 1 1 . 1 1 54 54 ARG CA C 45 56.027 56.027 55.633 0.394 18219 232 1 1 . 1 1 54 54 ARG CB C 45 30.173 30.173 30.808 -0.635 18219 233 1 1 . 1 1 54 54 ARG H H 45 7.956 7.956 8.186 -0.230 18219 234 1 1 . 1 1 55 55 VAL N N 46 116.437 116.437 120.812 -4.375 18219 235 1 1 . 1 1 55 55 VAL HA H 46 4.060 4.060 3.739 0.321 18219 236 1 1 . 1 1 55 55 VAL C C 46 173.806 173.806 175.824 -2.018 18219 237 1 1 . 1 1 55 55 VAL CA C 46 62.300 62.300 64.389 -2.089 18219 238 1 1 . 1 1 55 55 VAL CB C 46 31.521 31.521 32.217 -0.696 18219 239 1 1 . 1 1 55 55 VAL H H 46 7.489 7.489 8.013 -0.524 18219 240 1 1 . 1 1 56 56 SER N N 47 117.185 117.185 114.417 2.768 18219 241 1 1 . 1 1 56 56 SER HA H 47 4.401 4.401 4.096 0.305 18219 242 1 1 . 1 1 56 56 SER C C 47 172.074 172.074 174.388 -2.314 18219 243 1 1 . 1 1 56 56 SER CA C 47 58.133 58.133 59.959 -1.826 18219 244 1 1 . 1 1 56 56 SER CB C 47 63.468 63.468 63.571 -0.103 18219 245 1 1 . 1 1 56 56 SER H H 47 7.728 7.728 8.124 -0.396 18219 246 1 1 . 1 1 57 57 ASN N N 48 121.049 121.049 123.582 -2.533 18219 247 1 1 . 1 1 57 57 ASN HA H 48 4.590 4.590 4.616 -0.026 18219 248 1 1 . 1 1 57 57 ASN CA C 48 53.600 53.600 53.827 -0.227 18219 249 1 1 . 1 1 57 57 ASN CB C 48 38.641 38.641 38.641 0.000 18219 250 1 1 . 1 1 57 57 ASN H H 48 8.228 8.228 8.540 -0.312 18219 251 1 1 . 1 1 58 58 ASP N N 49 120.276 120.276 120.433 -0.157 18219 252 1 1 . 1 1 58 58 ASP HA H 49 4.530 4.530 4.683 -0.153 18219 253 1 1 . 1 1 58 58 ASP CA C 49 54.202 54.202 53.527 0.675 18219 254 1 1 . 1 1 58 58 ASP CB C 49 40.374 40.374 41.606 -1.232 18219 255 1 1 . 1 1 58 58 ASP H H 49 8.192 8.192 8.450 -0.258 18219 256 1 1 . 1 1 59 59 LYS N N 50 120.660 120.660 119.005 1.655 18219 257 1 1 . 1 1 59 59 LYS HA H 50 4.200 4.200 4.041 0.159 18219 258 1 1 . 1 1 59 59 LYS C C 50 173.474 173.474 175.884 -2.410 18219 259 1 1 . 1 1 59 59 LYS CA C 50 56.300 56.300 56.783 -0.483 18219 260 1 1 . 1 1 59 59 LYS CB C 50 32.034 32.034 31.016 1.018 18219 261 1 1 . 1 1 59 59 LYS H H 50 8.003 8.003 8.426 -0.423 18219 262 1 1 . 1 1 60 60 ARG N N 51 121.278 121.278 119.335 1.943 18219 263 1 1 . 1 1 60 60 ARG HA H 51 4.200 4.200 4.254 -0.054 18219 264 1 1 . 1 1 60 60 ARG C C 51 173.303 173.303 175.087 -1.784 18219 265 1 1 . 1 1 60 60 ARG CA C 51 56.283 56.283 56.525 -0.242 18219 266 1 1 . 1 1 60 60 ARG CB C 51 30.238 30.238 31.012 -0.774 18219 267 1 1 . 1 1 60 60 ARG H H 51 8.091 8.091 8.183 -0.092 18219 268 1 1 . 1 1 61 61 ASP N N 52 121.185 121.185 117.314 3.871 18219 269 1 1 . 1 1 61 61 ASP HA H 52 4.615 4.615 4.686 -0.071 18219 270 1 1 . 1 1 61 61 ASP C C 52 173.777 173.777 177.065 -3.288 18219 271 1 1 . 1 1 61 61 ASP CA C 52 53.979 53.979 54.743 -0.764 18219 272 1 1 . 1 1 61 61 ASP CB C 52 40.245 40.245 40.337 -0.092 18219 273 1 1 . 1 1 61 61 ASP H H 52 8.261 8.261 8.472 -0.211 18219 274 1 1 . 1 1 62 62 VAL N N 53 121.902 121.902 120.833 1.069 18219 275 1 1 . 1 1 62 62 VAL HA H 53 3.950 3.950 4.157 -0.207 18219 276 1 1 . 1 1 62 62 VAL C C 53 173.279 173.279 177.240 -3.961 18219 277 1 1 . 1 1 62 62 VAL CA C 53 63.176 63.176 62.892 0.284 18219 278 1 1 . 1 1 62 62 VAL CB C 53 32.099 32.099 31.990 0.109 18219 279 1 1 . 1 1 62 62 VAL H H 53 7.997 7.997 8.261 -0.264 18219 280 1 1 . 1 1 63 63 LYS N N 54 123.522 123.522 121.143 2.379 18219 281 1 1 . 1 1 63 63 LYS HA H 54 4.260 4.260 4.094 0.166 18219 282 1 1 . 1 1 63 63 LYS C C 54 174.481 174.481 178.621 -4.140 18219 283 1 1 . 1 1 63 63 LYS CA C 54 56.347 56.347 60.024 -3.677 18219 284 1 1 . 1 1 63 63 LYS CB C 54 32.099 32.099 32.033 0.066 18219 285 1 1 . 1 1 63 63 LYS H H 54 8.054 8.054 8.287 -0.233 18219 286 1 1 . 1 1 64 64 VAL N N 55 120.647 120.647 117.952 2.695 18219 287 1 1 . 1 1 64 64 VAL HA H 55 3.947 3.947 3.930 0.017 18219 288 1 1 . 1 1 64 64 VAL C C 55 174.955 174.955 177.694 -2.739 18219 289 1 1 . 1 1 64 64 VAL CA C 55 64.600 64.600 65.338 -0.738 18219 290 1 1 . 1 1 64 64 VAL CB C 55 31.877 31.877 30.905 0.972 18219 291 1 1 . 1 1 64 64 VAL H H 55 8.225 8.225 7.832 0.393 18219 292 1 1 . 1 1 65 65 SER N N 56 117.785 117.785 116.426 1.359 18219 293 1 1 . 1 1 65 65 SER HA H 56 4.390 4.390 4.205 0.185 18219 294 1 1 . 1 1 65 65 SER C C 56 172.300 172.300 176.722 -4.422 18219 295 1 1 . 1 1 65 65 SER CA C 56 60.000 60.000 62.349 -2.349 18219 296 1 1 . 1 1 65 65 SER CB C 56 62.879 62.879 62.968 -0.089 18219 297 1 1 . 1 1 65 65 SER H H 56 8.260 8.260 7.911 0.349 18219 298 1 1 . 1 1 66 66 LEU N N 57 123.318 123.318 122.651 0.667 18219 299 1 1 . 1 1 66 66 LEU HA H 57 4.090 4.090 4.149 -0.059 18219 300 1 1 . 1 1 66 66 LEU C C 57 175.932 175.932 178.324 -2.392 18219 301 1 1 . 1 1 66 66 LEU CA C 57 57.502 57.502 58.361 -0.860 18219 302 1 1 . 1 1 66 66 LEU CB C 57 41.721 41.721 42.005 -0.284 18219 303 1 1 . 1 1 66 66 LEU H H 57 8.091 8.091 8.198 -0.107 18219 304 1 1 . 1 1 67 67 PHE N N 58 118.020 118.020 118.479 -0.459 18219 305 1 1 . 1 1 67 67 PHE HA H 58 4.330 4.330 4.056 0.274 18219 306 1 1 . 1 1 67 67 PHE C C 58 174.912 174.912 177.670 -2.758 18219 307 1 1 . 1 1 67 67 PHE CA C 58 60.600 60.600 61.830 -1.230 18219 308 1 1 . 1 1 67 67 PHE CB C 58 38.552 38.552 38.864 -0.312 18219 309 1 1 . 1 1 67 67 PHE H H 58 8.066 8.066 8.588 -0.522 18219 310 1 1 . 1 1 68 68 THR N N 59 115.324 115.324 115.972 -0.648 18219 311 1 1 . 1 1 68 68 THR HA H 59 4.310 4.310 3.922 0.388 18219 312 1 1 . 1 1 68 68 THR C C 59 173.380 173.380 176.260 -2.880 18219 313 1 1 . 1 1 68 68 THR CA C 59 66.313 66.313 67.406 -1.093 18219 314 1 1 . 1 1 68 68 THR CB C 59 67.700 67.700 68.918 -1.218 18219 315 1 1 . 1 1 68 68 THR H H 59 8.287 8.287 8.385 -0.098 18219 316 1 1 . 1 1 69 69 ALA N N 60 123.621 123.621 124.808 -1.187 18219 317 1 1 . 1 1 69 69 ALA HA H 60 4.280 4.280 3.992 0.288 18219 318 1 1 . 1 1 69 69 ALA C C 60 176.978 176.978 179.418 -2.440 18219 319 1 1 . 1 1 69 69 ALA CA C 60 55.100 55.100 55.341 -0.241 18219 320 1 1 . 1 1 69 69 ALA CB C 60 17.728 17.728 18.308 -0.580 18219 321 1 1 . 1 1 69 69 ALA H H 60 7.983 7.983 8.479 -0.496 18219 322 1 1 . 1 1 70 70 PHE N N 61 118.520 118.520 118.137 0.383 18219 323 1 1 . 1 1 70 70 PHE HA H 61 4.260 4.260 4.235 0.025 18219 324 1 1 . 1 1 70 70 PHE C C 61 175.369 175.369 177.301 -1.932 18219 325 1 1 . 1 1 70 70 PHE CA C 61 60.179 60.179 61.107 -0.928 18219 326 1 1 . 1 1 70 70 PHE CB C 61 38.706 38.706 39.147 -0.441 18219 327 1 1 . 1 1 70 70 PHE H H 61 8.007 8.007 8.822 -0.815 18219 328 1 1 . 1 1 71 71 PHE N N 62 122.314 122.314 120.608 1.706 18219 329 1 1 . 1 1 71 71 PHE HA H 62 4.000 4.000 4.059 -0.059 18219 330 1 1 . 1 1 71 71 PHE C C 62 174.697 174.697 177.596 -2.899 18219 331 1 1 . 1 1 71 71 PHE CA C 62 60.517 60.517 62.670 -2.153 18219 332 1 1 . 1 1 71 71 PHE CB C 62 38.770 38.770 38.961 -0.191 18219 333 1 1 . 1 1 71 71 PHE H H 62 8.546 8.546 8.141 0.405 18219 334 1 1 . 1 1 72 72 LEU N N 63 119.399 119.399 119.627 -0.228 18219 335 1 1 . 1 1 72 72 LEU HA H 63 3.870 3.870 4.031 -0.161 18219 336 1 1 . 1 1 72 72 LEU C C 63 175.774 175.774 178.563 -2.789 18219 337 1 1 . 1 1 72 72 LEU CA C 63 56.925 56.925 58.290 -1.365 18219 338 1 1 . 1 1 72 72 LEU CB C 63 41.207 41.207 41.623 -0.416 18219 339 1 1 . 1 1 72 72 LEU H H 63 8.396 8.396 8.796 -0.400 18219 340 1 1 . 1 1 73 73 ALA N N 64 120.221 120.221 121.007 -0.786 18219 341 1 1 . 1 1 73 73 ALA HA H 64 3.960 3.960 3.947 0.013 18219 342 1 1 . 1 1 73 73 ALA C C 64 177.267 177.267 179.985 -2.718 18219 343 1 1 . 1 1 73 73 ALA CA C 64 54.600 54.600 55.575 -0.975 18219 344 1 1 . 1 1 73 73 ALA CB C 64 17.784 17.784 17.805 -0.021 18219 345 1 1 . 1 1 73 73 ALA H H 64 8.025 8.025 8.153 -0.128 18219 346 1 1 . 1 1 74 74 THR N N 65 113.648 113.648 113.920 -0.272 18219 347 1 1 . 1 1 74 74 THR HA H 65 3.980 3.980 4.115 -0.135 18219 348 1 1 . 1 1 74 74 THR CA C 65 66.291 66.291 65.440 0.851 18219 349 1 1 . 1 1 74 74 THR CB C 65 67.914 67.914 68.870 -0.956 18219 350 1 1 . 1 1 74 74 THR H H 65 7.717 7.717 7.983 -0.266 18219 351 1 1 . 1 1 75 75 ILE N N 66 120.291 120.291 121.356 -1.065 18219 352 1 1 . 1 1 75 75 ILE HA H 66 3.740 3.740 3.837 -0.097 18219 353 1 1 . 1 1 75 75 ILE C C 66 174.951 174.951 177.494 -2.543 18219 354 1 1 . 1 1 75 75 ILE CA C 66 64.880 64.880 64.061 0.819 18219 355 1 1 . 1 1 75 75 ILE CB C 66 37.166 37.166 37.776 -0.610 18219 356 1 1 . 1 1 75 75 ILE H H 66 7.738 7.738 8.118 -0.380 18219 357 1 1 . 1 1 76 76 MET N N 67 117.618 117.618 117.341 0.277 18219 358 1 1 . 1 1 76 76 MET HA H 67 4.220 4.220 4.201 0.019 18219 359 1 1 . 1 1 76 76 MET C C 67 175.142 175.142 176.892 -1.750 18219 360 1 1 . 1 1 76 76 MET CA C 67 56.723 56.723 58.908 -2.185 18219 361 1 1 . 1 1 76 76 MET CB C 67 31.951 31.951 33.763 -1.812 18219 362 1 1 . 1 1 76 76 MET H H 67 7.823 7.823 8.653 -0.830 18219 363 1 1 . 1 1 77 77 GLY N N 68 107.110 107.110 103.682 3.428 18219 364 1 1 . 1 1 77 77 GLY C C 68 172.260 172.260 174.047 -1.787 18219 365 1 1 . 1 1 77 77 GLY CA C 68 45.800 45.800 44.473 1.327 18219 366 1 1 . 1 1 77 77 GLY H H 68 7.937 7.937 7.969 -0.032 18219 367 1 1 . 1 1 78 78 VAL N N 69 120.431 120.431 119.147 1.284 18219 368 1 1 . 1 1 78 78 VAL HA H 69 4.220 4.220 3.799 0.421 18219 369 1 1 . 1 1 78 78 VAL CA C 69 63.900 63.900 64.255 -0.355 18219 370 1 1 . 1 1 78 78 VAL CB C 69 31.506 31.506 32.178 -0.672 18219 371 1 1 . 1 1 78 78 VAL H H 69 7.697 7.697 8.351 -0.654 18219 372 1 1 . 1 1 79 79 ARG N N 70 121.420 121.420 119.602 1.818 18219 373 1 1 . 1 1 79 79 ARG HA H 70 3.810 3.810 4.129 -0.319 18219 374 1 1 . 1 1 79 79 ARG CA C 70 56.400 56.400 56.431 -0.031 18219 375 1 1 . 1 1 79 79 ARG CB C 70 30.097 30.097 30.832 -0.735 18219 376 1 1 . 1 1 79 79 ARG H H 70 7.889 7.889 7.526 0.363 18219 377 1 1 . 1 1 80 80 PHE N N 71 119.949 119.949 122.000 -2.051 18219 378 1 1 . 1 1 80 80 PHE HA H 71 4.510 4.510 4.187 0.323 18219 379 1 1 . 1 1 80 80 PHE CA C 71 58.600 58.600 59.995 -1.395 18219 380 1 1 . 1 1 80 80 PHE CB C 71 39.145 39.145 38.928 0.217 18219 381 1 1 . 1 1 80 80 PHE H H 71 8.101 8.101 8.697 -0.596 18219 382 1 1 . 1 1 81 81 LYS N N 72 122.193 122.193 126.376 -4.183 18219 383 1 1 . 1 1 81 81 LYS CA C 72 56.800 56.800 55.374 1.426 18219 384 1 1 . 1 1 81 81 LYS CB C 72 32.322 32.322 35.411 -3.089 18219 385 1 1 . 1 1 81 81 LYS H H 72 8.090 8.090 7.963 0.127 18219 386 1 1 . 1 1 82 82 ARG N N 73 119.650 119.650 121.554 -1.904 18219 387 1 1 . 1 1 82 82 ARG CA C 73 56.089 56.089 56.562 -0.473 18219 388 1 1 . 1 1 82 82 ARG CB C 73 30.171 30.171 30.290 -0.119 18219 389 1 1 . 1 1 82 82 ARG H H 73 8.052 8.052 8.428 -0.376 18219 390 1 1 . 1 1 83 83 SER N N 74 115.734 115.734 117.424 -1.690 18219 391 1 1 . 1 1 83 83 SER CA C 74 58.355 58.355 58.256 0.099 18219 392 1 1 . 1 1 83 83 SER CB C 74 63.404 63.404 64.481 -1.077 18219 393 1 1 . 1 1 83 83 SER H H 74 7.912 7.912 8.444 -0.532 18219 394 1 1 . 1 1 84 84 LYS N N 75 122.370 122.370 124.076 -1.706 18219 395 1 1 . 1 1 84 84 LYS CA C 75 56.135 56.135 56.186 -0.051 18219 396 1 1 . 1 1 84 84 LYS CB C 75 32.175 32.175 32.454 -0.279 18219 397 1 1 . 1 1 84 84 LYS H H 75 8.067 8.067 8.359 -0.292 18219 398 1 1 . 1 1 86 86 ILE N N 77 119.592 119.592 117.178 2.414 18219 399 1 1 . 1 1 86 86 ILE HA H 77 3.810 3.810 4.094 -0.284 18219 400 1 1 . 1 1 86 86 ILE CA C 77 64.900 64.900 62.111 2.789 18219 401 1 1 . 1 1 86 86 ILE CB C 77 39.145 39.145 38.857 0.288 18219 402 1 1 . 1 1 86 86 ILE H H 77 7.837 7.837 7.763 0.074 18219 403 1 1 . 1 1 87 87 MET N N 78 121.645 121.645 118.991 2.654 18219 404 1 1 . 1 1 87 87 MET CA C 78 52.982 52.982 59.406 -6.424 18219 405 1 1 . 1 1 87 87 MET CB C 78 32.173 32.173 30.925 1.248 18219 406 1 1 . 1 1 87 87 MET H H 78 7.950 7.950 7.971 -0.021 18219 407 1 1 . 1 1 88 88 PRO HA H 79 4.140 4.140 4.373 -0.233 18219 408 1 1 . 1 1 88 88 PRO C C 79 173.921 173.921 177.115 -3.194 18219 409 1 1 . 1 1 88 88 PRO CA C 79 62.800 62.800 63.093 -0.293 18219 410 1 1 . 1 1 88 88 PRO CB C 79 31.136 31.136 31.901 -0.766 18219 411 1 1 . 1 1 89 89 ALA N N 80 124.431 124.431 118.877 5.554 18219 412 1 1 . 1 1 89 89 ALA HA H 80 4.400 4.400 4.013 0.387 18219 413 1 1 . 1 1 89 89 ALA C C 80 176.234 176.234 179.599 -3.365 18219 414 1 1 . 1 1 89 89 ALA CA C 80 53.300 53.300 54.449 -1.149 18219 415 1 1 . 1 1 89 89 ALA CB C 80 18.498 18.498 17.191 1.308 18219 416 1 1 . 1 1 89 89 ALA H H 80 8.320 8.320 8.538 -0.218 18219 417 1 1 . 1 1 90 90 GLY N N 81 106.834 106.834 107.397 -0.563 18219 418 1 1 . 1 1 90 90 GLY C C 81 172.398 172.398 176.029 -3.631 18219 419 1 1 . 1 1 90 90 GLY CA C 81 45.600 45.600 47.233 -1.633 18219 420 1 1 . 1 1 90 90 GLY H H 81 8.458 8.458 8.170 0.288 18219 421 1 1 . 1 1 91 91 LEU N N 82 121.043 121.043 121.287 -0.244 18219 422 1 1 . 1 1 91 91 LEU HA H 82 4.200 4.200 4.078 0.122 18219 423 1 1 . 1 1 91 91 LEU C C 82 174.783 174.783 178.974 -4.191 18219 424 1 1 . 1 1 91 91 LEU CA C 82 56.300 56.300 58.116 -1.816 18219 425 1 1 . 1 1 91 91 LEU CB C 82 42.106 42.106 40.860 1.246 18219 426 1 1 . 1 1 91 91 LEU H H 82 7.687 7.687 8.102 -0.415 18219 427 1 1 . 1 1 92 92 VAL N N 83 114.737 114.737 119.273 -4.536 18219 428 1 1 . 1 1 92 92 VAL HA H 83 3.980 3.980 3.550 0.430 18219 429 1 1 . 1 1 92 92 VAL C C 83 173.634 173.634 177.832 -4.198 18219 430 1 1 . 1 1 92 92 VAL CA C 83 62.400 62.400 66.893 -4.493 18219 431 1 1 . 1 1 92 92 VAL CB C 83 31.585 31.585 31.246 0.339 18219 432 1 1 . 1 1 92 92 VAL H H 83 7.602 7.602 7.904 -0.302 18219 433 1 1 . 1 1 93 93 ALA N N 84 124.320 124.320 120.885 3.435 18219 434 1 1 . 1 1 93 93 ALA HA H 84 4.150 4.150 3.945 0.205 18219 435 1 1 . 1 1 93 93 ALA C C 84 175.746 175.746 179.903 -4.157 18219 436 1 1 . 1 1 93 93 ALA CA C 84 53.300 53.300 55.304 -2.005 18219 437 1 1 . 1 1 93 93 ALA CB C 84 18.241 18.241 17.853 0.388 18219 438 1 1 . 1 1 93 93 ALA H H 84 7.891 7.891 8.489 -0.598 18219 439 1 1 . 1 1 94 94 GLY N N 85 106.807 106.807 107.187 -0.380 18219 440 1 1 . 1 1 94 94 GLY C C 85 171.752 171.752 175.881 -4.129 18219 441 1 1 . 1 1 94 94 GLY CA C 85 45.249 45.249 46.547 -1.298 18219 442 1 1 . 1 1 94 94 GLY H H 85 8.204 8.204 7.965 0.239 18219 443 1 1 . 1 1 95 95 LEU N N 86 121.266 121.266 122.361 -1.095 18219 444 1 1 . 1 1 95 95 LEU HA H 86 4.380 4.380 4.099 0.281 18219 445 1 1 . 1 1 95 95 LEU C C 86 173.702 173.702 178.834 -5.132 18219 446 1 1 . 1 1 95 95 LEU CA C 86 55.000 55.000 57.485 -2.485 18219 447 1 1 . 1 1 95 95 LEU CB C 86 42.298 42.298 41.261 1.037 18219 448 1 1 . 1 1 95 95 LEU H H 86 7.718 7.718 7.984 -0.266 18219 449 1 1 . 1 1 96 96 SER N N 87 115.658 115.658 115.918 -0.260 18219 450 1 1 . 1 1 96 96 SER HA H 87 4.370 4.370 4.151 0.219 18219 451 1 1 . 1 1 96 96 SER C C 87 172.479 172.479 176.887 -4.408 18219 452 1 1 . 1 1 96 96 SER CA C 87 57.200 57.200 62.642 -5.442 18219 453 1 1 . 1 1 96 96 SER CB C 87 64.174 64.174 63.152 1.022 18219 454 1 1 . 1 1 96 96 SER H H 87 7.659 7.659 8.106 -0.447 18219 455 1 1 . 1 1 97 97 LEU N N 88 123.720 123.720 122.328 1.392 18219 456 1 1 . 1 1 97 97 LEU HA H 88 4.600 4.600 4.007 0.593 18219 457 1 1 . 1 1 97 97 LEU C C 88 175.932 175.932 179.090 -3.158 18219 458 1 1 . 1 1 97 97 LEU CA C 88 57.600 57.600 57.980 -0.380 18219 459 1 1 . 1 1 97 97 LEU CB C 88 41.400 41.400 41.927 -0.527 18219 460 1 1 . 1 1 97 97 LEU H H 88 8.733 8.733 8.179 0.554 18219 461 1 1 . 1 1 98 98 MET N N 89 116.684 116.684 120.274 -3.590 18219 462 1 1 . 1 1 98 98 MET HA H 89 4.280 4.280 4.161 0.119 18219 463 1 1 . 1 1 98 98 MET C C 89 175.789 175.789 177.896 -2.107 18219 464 1 1 . 1 1 98 98 MET CA C 89 56.915 56.915 58.867 -1.952 18219 465 1 1 . 1 1 98 98 MET CB C 89 31.007 31.007 32.734 -1.727 18219 466 1 1 . 1 1 98 98 MET H H 89 8.342 8.342 8.182 0.160 18219 467 1 1 . 1 1 99 99 MET N N 90 119.182 119.182 118.269 0.913 18219 468 1 1 . 1 1 99 99 MET HA H 90 4.110 4.110 4.174 -0.064 18219 469 1 1 . 1 1 99 99 MET C C 90 175.588 175.588 178.706 -3.118 18219 470 1 1 . 1 1 99 99 MET CA C 90 57.951 57.951 58.634 -0.683 18219 471 1 1 . 1 1 99 99 MET CB C 90 32.226 32.226 31.843 0.383 18219 472 1 1 . 1 1 99 99 MET H H 90 7.720 7.720 8.189 -0.469 18219 473 1 1 . 1 1 100 100 ILE N N 91 119.077 119.077 119.933 -0.856 18219 474 1 1 . 1 1 100 100 ILE HA H 91 4.110 4.110 3.901 0.209 18219 475 1 1 . 1 1 100 100 ILE C C 91 174.634 174.634 177.055 -2.421 18219 476 1 1 . 1 1 100 100 ILE CA C 91 64.100 64.100 64.167 -0.067 18219 477 1 1 . 1 1 100 100 ILE CB C 91 37.143 37.143 38.450 -1.307 18219 478 1 1 . 1 1 100 100 ILE H H 91 7.662 7.662 8.297 -0.635 18219 479 1 1 . 1 1 101 101 LEU N N 92 119.646 119.646 120.610 -0.964 18219 480 1 1 . 1 1 101 101 LEU HA H 92 4.530 4.530 3.994 0.536 18219 481 1 1 . 1 1 101 101 LEU C C 92 175.430 175.430 178.421 -2.991 18219 482 1 1 . 1 1 101 101 LEU CA C 92 57.800 57.800 57.495 0.305 18219 483 1 1 . 1 1 101 101 LEU CB C 92 40.758 40.758 41.789 -1.031 18219 484 1 1 . 1 1 101 101 LEU H H 92 8.142 8.142 7.709 0.433 18219 485 1 1 . 1 1 102 102 ARG N N 93 116.394 116.394 118.050 -1.656 18219 486 1 1 . 1 1 102 102 ARG HA H 93 4.140 4.140 4.330 -0.190 18219 487 1 1 . 1 1 102 102 ARG C C 93 175.961 175.961 178.237 -2.276 18219 488 1 1 . 1 1 102 102 ARG CA C 93 59.100 59.100 57.855 1.245 18219 489 1 1 . 1 1 102 102 ARG CB C 93 29.404 29.404 30.777 -1.373 18219 490 1 1 . 1 1 102 102 ARG H H 93 7.893 7.893 8.102 -0.209 18219 491 1 1 . 1 1 103 103 LEU N N 94 119.114 119.114 121.999 -2.885 18219 492 1 1 . 1 1 103 103 LEU HA H 94 4.110 4.110 4.128 -0.018 18219 493 1 1 . 1 1 103 103 LEU C C 94 175.889 175.889 178.115 -2.226 18219 494 1 1 . 1 1 103 103 LEU CA C 94 57.300 57.300 57.868 -0.568 18219 495 1 1 . 1 1 103 103 LEU CB C 94 41.296 41.296 41.766 -0.470 18219 496 1 1 . 1 1 103 103 LEU H H 94 7.622 7.622 7.720 -0.098 18219 497 1 1 . 1 1 104 104 VAL N N 95 117.704 117.704 119.583 -1.879 18219 498 1 1 . 1 1 104 104 VAL HA H 95 3.530 3.530 3.722 -0.192 18219 499 1 1 . 1 1 104 104 VAL C C 95 175.042 175.042 177.548 -2.506 18219 500 1 1 . 1 1 104 104 VAL CA C 95 66.419 66.419 65.604 0.815 18219 501 1 1 . 1 1 104 104 VAL CB C 95 31.357 31.357 31.781 -0.424 18219 502 1 1 . 1 1 104 104 VAL H H 95 8.026 8.026 7.946 0.080 18219 503 1 1 . 1 1 105 105 LEU N N 96 117.185 117.185 115.910 1.275 18219 504 1 1 . 1 1 105 105 LEU HA H 96 3.980 3.980 4.390 -0.410 18219 505 1 1 . 1 1 105 105 LEU C C 96 176.579 176.579 177.879 -1.300 18219 506 1 1 . 1 1 105 105 LEU CA C 96 56.800 56.800 55.410 1.390 18219 507 1 1 . 1 1 105 105 LEU CB C 96 40.951 40.951 42.513 -1.562 18219 508 1 1 . 1 1 105 105 LEU H H 96 7.893 7.893 7.536 0.357 18219 509 1 1 . 1 1 106 106 LEU N N 97 118.471 118.471 121.183 -2.712 18219 510 1 1 . 1 1 106 106 LEU HA H 97 4.180 4.180 3.974 0.206 18219 511 1 1 . 1 1 106 106 LEU C C 97 175.802 175.802 176.910 -1.108 18219 512 1 1 . 1 1 106 106 LEU CA C 97 56.300 56.300 56.019 0.281 18219 513 1 1 . 1 1 106 106 LEU CB C 97 41.592 41.592 41.670 -0.078 18219 514 1 1 . 1 1 106 106 LEU H H 97 7.545 7.545 8.126 -0.581 18219 515 1 1 . 1 1 107 107 LEU N N 98 118.162 118.162 115.320 2.842 18219 516 1 1 . 1 1 107 107 LEU HA H 98 4.230 4.230 4.490 -0.260 18219 517 1 1 . 1 1 107 107 LEU C C 98 174.174 174.174 176.847 -2.673 18219 518 1 1 . 1 1 107 107 LEU CA C 98 56.283 56.283 55.023 1.260 18219 519 1 1 . 1 1 107 107 LEU CB C 98 42.362 42.362 42.028 0.334 18219 520 1 1 . 1 1 107 107 LEU H H 98 7.688 7.688 7.616 0.072 18219 521 1 2 . 1 1 11 11 ASP N N 2 120.536 120.536 121.643 -1.107 18219 522 1 2 . 1 1 11 11 ASP CA C 2 55.918 55.918 53.410 2.508 18219 523 1 2 . 1 1 11 11 ASP CB C 2 37.959 37.959 43.582 -5.623 18219 524 1 2 . 1 1 11 11 ASP H H 2 7.863 7.863 8.227 -0.364 18219 525 1 2 . 1 1 12 12 LEU N N 3 121.414 121.414 122.100 -0.686 18219 526 1 2 . 1 1 12 12 LEU C C 3 176.162 176.162 178.344 -2.182 18219 527 1 2 . 1 1 12 12 LEU CA C 3 57.600 57.600 56.118 1.482 18219 528 1 2 . 1 1 12 12 LEU CB C 3 41.657 41.657 42.420 -0.763 18219 529 1 2 . 1 1 12 12 LEU H H 3 8.285 8.285 8.347 -0.062 18219 530 1 2 . 1 1 13 13 ILE N N 4 118.854 118.854 118.309 0.545 18219 531 1 2 . 1 1 13 13 ILE HA H 4 3.740 3.740 3.780 -0.040 18219 532 1 2 . 1 1 13 13 ILE C C 4 175.228 175.228 177.895 -2.667 18219 533 1 2 . 1 1 13 13 ILE CA C 4 64.500 64.500 63.252 1.248 18219 534 1 2 . 1 1 13 13 ILE CB C 4 37.102 37.102 38.212 -1.110 18219 535 1 2 . 1 1 13 13 ILE H H 4 8.031 8.031 7.893 0.138 18219 536 1 2 . 1 1 14 14 GLY N N 5 107.478 107.478 106.077 1.401 18219 537 1 2 . 1 1 14 14 GLY C C 5 174.424 174.424 175.757 -1.333 18219 538 1 2 . 1 1 14 14 GLY CA C 5 47.059 47.059 46.536 0.523 18219 539 1 2 . 1 1 14 14 GLY H H 5 8.148 8.148 8.375 -0.227 18219 540 1 2 . 1 1 15 15 PHE N N 6 122.774 122.774 123.894 -1.120 18219 541 1 2 . 1 1 15 15 PHE HA H 6 4.480 4.480 4.329 0.151 18219 542 1 2 . 1 1 15 15 PHE C C 6 175.113 175.113 177.006 -1.893 18219 543 1 2 . 1 1 15 15 PHE CA C 6 60.017 60.017 61.465 -1.448 18219 544 1 2 . 1 1 15 15 PHE CB C 6 38.774 38.774 38.392 0.382 18219 545 1 2 . 1 1 15 15 PHE H H 6 8.194 8.194 7.948 0.246 18219 546 1 2 . 1 1 16 16 GLY N N 7 107.938 107.938 106.536 1.402 18219 547 1 2 . 1 1 16 16 GLY C C 7 171.838 171.838 175.756 -3.918 18219 548 1 2 . 1 1 16 16 GLY CA C 7 47.100 47.100 47.676 -0.576 18219 549 1 2 . 1 1 16 16 GLY H H 7 8.697 8.697 8.645 0.052 18219 550 1 2 . 1 1 17 17 TYR N N 8 121.785 121.785 123.382 -1.597 18219 551 1 2 . 1 1 17 17 TYR HA H 8 4.150 4.150 4.151 -0.001 18219 552 1 2 . 1 1 17 17 TYR C C 8 174.180 174.180 177.685 -3.505 18219 553 1 2 . 1 1 17 17 TYR CA C 8 61.300 61.300 60.105 1.195 18219 554 1 2 . 1 1 17 17 TYR CB C 8 37.959 37.959 38.261 -0.302 18219 555 1 2 . 1 1 17 17 TYR H H 8 8.710 8.710 8.177 0.533 18219 556 1 2 . 1 1 18 18 ALA N N 9 120.233 120.233 120.514 -0.281 18219 557 1 2 . 1 1 18 18 ALA HA H 9 3.950 3.950 3.837 0.113 18219 558 1 2 . 1 1 18 18 ALA C C 9 178.059 178.059 178.916 -0.857 18219 559 1 2 . 1 1 18 18 ALA CA C 9 54.872 54.872 54.519 0.353 18219 560 1 2 . 1 1 18 18 ALA CB C 9 17.562 17.562 18.009 -0.447 18219 561 1 2 . 1 1 18 18 ALA H H 9 7.843 7.843 8.302 -0.459 18219 562 1 2 . 1 1 19 19 ALA N N 10 121.797 121.797 122.883 -1.086 18219 563 1 2 . 1 1 19 19 ALA HA H 10 3.950 3.950 3.966 -0.016 18219 564 1 2 . 1 1 19 19 ALA C C 10 176.191 176.191 179.423 -3.232 18219 565 1 2 . 1 1 19 19 ALA CA C 10 54.600 54.600 54.886 -0.286 18219 566 1 2 . 1 1 19 19 ALA CB C 10 17.562 17.562 18.294 -0.732 18219 567 1 2 . 1 1 19 19 ALA H H 10 8.212 8.212 8.152 0.060 18219 568 1 2 . 1 1 20 20 LEU N N 11 119.442 119.442 117.493 1.949 18219 569 1 2 . 1 1 20 20 LEU HA H 11 3.937 3.937 4.001 -0.064 18219 570 1 2 . 1 1 20 20 LEU C C 11 176.694 176.694 178.879 -2.185 18219 571 1 2 . 1 1 20 20 LEU CA C 11 57.800 57.800 57.927 -0.127 18219 572 1 2 . 1 1 20 20 LEU CB C 11 41.222 41.222 41.075 0.147 18219 573 1 2 . 1 1 20 20 LEU H H 11 8.065 8.065 8.022 0.043 18219 574 1 2 . 1 1 21 21 VAL N N 12 118.323 118.323 120.461 -2.138 18219 575 1 2 . 1 1 21 21 VAL HA H 12 3.640 3.640 3.508 0.132 18219 576 1 2 . 1 1 21 21 VAL C C 12 176.536 176.536 178.541 -2.005 18219 577 1 2 . 1 1 21 21 VAL CA C 12 65.400 65.400 66.944 -1.544 18219 578 1 2 . 1 1 21 21 VAL CB C 12 31.135 31.135 30.503 0.632 18219 579 1 2 . 1 1 21 21 VAL H H 12 8.051 8.051 8.592 -0.541 18219 580 1 2 . 1 1 22 22 THR N N 13 118.298 118.298 116.420 1.878 18219 581 1 2 . 1 1 22 22 THR HA H 13 4.660 4.660 4.009 0.651 18219 582 1 2 . 1 1 22 22 THR C C 13 173.734 173.734 176.730 -2.996 18219 583 1 2 . 1 1 22 22 THR CA C 13 66.300 66.300 66.448 -0.148 18219 584 1 2 . 1 1 22 22 THR CB C 13 67.775 67.775 68.407 -0.632 18219 585 1 2 . 1 1 22 22 THR H H 13 7.944 7.944 7.929 0.015 18219 586 1 2 . 1 1 23 23 PHE N N 14 121.328 121.328 122.362 -1.034 18219 587 1 2 . 1 1 23 23 PHE HA H 14 4.340 4.340 4.235 0.105 18219 588 1 2 . 1 1 23 23 PHE C C 14 174.783 174.783 177.244 -2.461 18219 589 1 2 . 1 1 23 23 PHE CA C 14 60.500 60.500 62.162 -1.662 18219 590 1 2 . 1 1 23 23 PHE CB C 14 38.626 38.626 38.974 -0.348 18219 591 1 2 . 1 1 23 23 PHE H H 14 8.567 8.567 8.392 0.175 18219 592 1 2 . 1 1 24 24 GLY N N 15 106.871 106.871 105.219 1.652 18219 593 1 2 . 1 1 24 24 GLY C C 15 172.858 172.858 176.836 -3.978 18219 594 1 2 . 1 1 24 24 GLY CA C 15 46.900 46.900 47.376 -0.476 18219 595 1 2 . 1 1 24 24 GLY H H 15 8.475 8.475 8.980 -0.505 18219 596 1 2 . 1 1 25 25 SER N N 16 116.214 116.214 118.162 -1.948 18219 597 1 2 . 1 1 25 25 SER HA H 16 4.280 4.280 4.297 -0.017 18219 598 1 2 . 1 1 25 25 SER CA C 16 60.300 60.300 61.433 -1.133 18219 599 1 2 . 1 1 25 25 SER CB C 16 62.879 62.879 63.046 -0.167 18219 600 1 2 . 1 1 25 25 SER H H 16 7.963 7.963 7.999 -0.036 18219 601 1 2 . 1 1 26 26 ILE N N 17 121.024 121.024 122.322 -1.298 18219 602 1 2 . 1 1 26 26 ILE HA H 17 3.946 3.946 3.623 0.323 18219 603 1 2 . 1 1 26 26 ILE C C 17 173.935 173.935 178.170 -4.235 18219 604 1 2 . 1 1 26 26 ILE CA C 17 63.100 63.100 65.226 -2.126 18219 605 1 2 . 1 1 26 26 ILE CB C 17 38.107 38.107 38.056 0.050 18219 606 1 2 . 1 1 26 26 ILE H H 17 7.676 7.676 7.970 -0.294 18219 607 1 2 . 1 1 27 27 PHE N N 18 117.142 117.142 118.367 -1.225 18219 608 1 2 . 1 1 27 27 PHE HA H 18 4.430 4.430 4.179 0.251 18219 609 1 2 . 1 1 27 27 PHE C C 18 173.504 173.504 177.619 -4.115 18219 610 1 2 . 1 1 27 27 PHE CA C 18 58.500 58.500 61.375 -2.875 18219 611 1 2 . 1 1 27 27 PHE CB C 18 38.774 38.774 38.663 0.110 18219 612 1 2 . 1 1 27 27 PHE H H 18 7.703 7.703 8.403 -0.700 18219 613 1 2 . 1 1 28 28 GLY N N 19 107.303 107.303 105.701 1.602 18219 614 1 2 . 1 1 28 28 GLY C C 19 171.593 171.593 174.112 -2.519 18219 615 1 2 . 1 1 28 28 GLY CA C 19 45.600 45.600 45.907 -0.307 18219 616 1 2 . 1 1 28 28 GLY H H 19 7.722 7.722 7.911 -0.189 18219 617 1 2 . 1 1 29 29 TYR N N 20 119.862 119.862 117.951 1.911 18219 618 1 2 . 1 1 29 29 TYR HA H 20 4.392 4.392 4.141 0.251 18219 619 1 2 . 1 1 29 29 TYR C C 20 173.174 173.174 175.958 -2.784 18219 620 1 2 . 1 1 29 29 TYR CA C 20 58.500 58.500 58.354 0.146 18219 621 1 2 . 1 1 29 29 TYR CB C 20 38.404 38.404 39.115 -0.711 18219 622 1 2 . 1 1 29 29 TYR H H 20 7.880 7.880 7.571 0.309 18219 623 1 2 . 1 1 30 30 LYS N N 21 122.335 122.335 123.497 -1.162 18219 624 1 2 . 1 1 30 30 LYS HA H 21 4.390 4.390 4.183 0.207 18219 625 1 2 . 1 1 30 30 LYS C C 21 173.547 173.547 175.556 -2.009 18219 626 1 2 . 1 1 30 30 LYS CA C 21 55.800 55.800 57.542 -1.742 18219 627 1 2 . 1 1 30 30 LYS CB C 21 32.396 32.396 32.927 -0.531 18219 628 1 2 . 1 1 30 30 LYS H H 21 7.934 7.934 8.508 -0.574 18219 629 1 2 . 1 1 31 31 ARG N N 22 120.612 120.612 125.370 -4.758 18219 630 1 2 . 1 1 31 31 ARG C C 22 173.547 173.547 177.289 -3.742 18219 631 1 2 . 1 1 31 31 ARG CA C 22 55.834 55.834 55.614 0.220 18219 632 1 2 . 1 1 31 31 ARG CB C 22 30.101 30.101 31.437 -1.336 18219 633 1 2 . 1 1 31 31 ARG H H 22 7.905 7.905 8.317 -0.412 18219 634 1 2 . 1 1 32 32 ARG N N 23 121.748 121.748 120.572 1.176 18219 635 1 2 . 1 1 32 32 ARG HA H 23 4.310 4.310 4.160 0.150 18219 636 1 2 . 1 1 32 32 ARG C C 23 173.863 173.863 176.712 -2.849 18219 637 1 2 . 1 1 32 32 ARG CA C 23 55.800 55.800 57.454 -1.654 18219 638 1 2 . 1 1 32 32 ARG CB C 23 30.245 30.245 30.161 0.084 18219 639 1 2 . 1 1 32 32 ARG H H 23 8.175 8.175 8.734 -0.559 18219 640 1 2 . 1 1 33 33 GLY N N 24 109.528 109.528 105.632 3.896 18219 641 1 2 . 1 1 33 33 GLY C C 24 171.752 171.752 173.182 -1.430 18219 642 1 2 . 1 1 33 33 GLY CA C 24 44.900 44.900 43.981 0.919 18219 643 1 2 . 1 1 33 33 GLY H H 24 8.264 8.264 7.948 0.316 18219 644 1 2 . 1 1 34 34 GLY N N 25 108.563 108.563 109.298 -0.735 18219 645 1 2 . 1 1 34 34 GLY C C 25 171.701 171.701 174.788 -3.087 18219 646 1 2 . 1 1 34 34 GLY CA C 25 44.600 44.600 44.507 0.093 18219 647 1 2 . 1 1 34 34 GLY H H 25 8.208 8.208 8.049 0.159 18219 648 1 2 . 1 1 35 35 VAL N N 26 121.164 121.164 123.096 -1.932 18219 649 1 2 . 1 1 35 35 VAL HA H 26 4.010 4.010 3.909 0.101 18219 650 1 2 . 1 1 35 35 VAL C C 26 175.888 175.888 175.601 0.287 18219 651 1 2 . 1 1 35 35 VAL CA C 26 63.900 63.900 65.384 -1.484 18219 652 1 2 . 1 1 35 35 VAL CB C 26 30.690 30.690 31.536 -0.846 18219 653 1 2 . 1 1 35 35 VAL H H 26 8.485 8.485 8.371 0.114 18219 654 1 2 . 1 1 36 36 PRO C C 27 177.660 177.660 175.819 1.841 18219 655 1 2 . 1 1 36 36 PRO CA C 27 61.847 61.847 63.398 -1.551 18219 656 1 2 . 1 1 37 37 SER N N 28 116.023 116.023 115.260 0.763 18219 657 1 2 . 1 1 37 37 SER HA H 28 4.280 4.280 4.656 -0.376 18219 658 1 2 . 1 1 37 37 SER CA C 28 61.100 61.100 59.639 1.461 18219 659 1 2 . 1 1 37 37 SER H H 28 7.948 7.948 8.291 -0.343 18219 660 1 2 . 1 1 38 38 LEU N N 29 124.029 124.029 121.810 2.219 18219 661 1 2 . 1 1 38 38 LEU HA H 29 4.170 4.170 4.079 0.091 18219 662 1 2 . 1 1 38 38 LEU C C 29 176.132 176.132 178.580 -2.448 18219 663 1 2 . 1 1 38 38 LEU CA C 29 57.500 57.500 58.116 -0.616 18219 664 1 2 . 1 1 38 38 LEU CB C 29 42.038 42.038 41.107 0.931 18219 665 1 2 . 1 1 38 38 LEU H H 29 8.201 8.201 7.551 0.650 18219 666 1 2 . 1 1 39 39 ILE N N 30 117.098 117.098 118.908 -1.810 18219 667 1 2 . 1 1 39 39 ILE HA H 30 4.370 4.370 3.848 0.522 18219 668 1 2 . 1 1 39 39 ILE C C 30 176.478 176.478 177.550 -1.072 18219 669 1 2 . 1 1 39 39 ILE CA C 30 63.079 63.079 62.438 0.641 18219 670 1 2 . 1 1 39 39 ILE CB C 30 36.973 36.973 36.498 0.475 18219 671 1 2 . 1 1 39 39 ILE H H 30 7.662 7.662 8.257 -0.595 18219 672 1 2 . 1 1 40 40 ALA N N 31 122.447 122.447 123.548 -1.101 18219 673 1 2 . 1 1 40 40 ALA HA H 31 4.034 4.034 4.043 -0.009 18219 674 1 2 . 1 1 40 40 ALA C C 31 177.067 177.067 179.355 -2.288 18219 675 1 2 . 1 1 40 40 ALA CA C 31 55.962 55.962 55.303 0.659 18219 676 1 2 . 1 1 40 40 ALA CB C 31 17.856 17.856 18.116 -0.260 18219 677 1 2 . 1 1 40 40 ALA H H 31 8.096 8.096 8.101 -0.005 18219 678 1 2 . 1 1 41 41 GLY N N 32 104.056 104.056 107.579 -3.523 18219 679 1 2 . 1 1 41 41 GLY C C 32 174.251 174.251 176.071 -1.820 18219 680 1 2 . 1 1 41 41 GLY CA C 32 46.500 46.500 47.008 -0.508 18219 681 1 2 . 1 1 41 41 GLY H H 32 8.123 8.123 8.346 -0.223 18219 682 1 2 . 1 1 42 42 LEU N N 33 123.250 123.250 123.133 0.117 18219 683 1 2 . 1 1 42 42 LEU HA H 33 3.857 3.857 4.001 -0.144 18219 684 1 2 . 1 1 42 42 LEU C C 33 176.033 176.033 178.237 -2.204 18219 685 1 2 . 1 1 42 42 LEU CA C 33 56.668 56.668 58.297 -1.629 18219 686 1 2 . 1 1 42 42 LEU CB C 33 41.721 41.721 41.975 -0.254 18219 687 1 2 . 1 1 42 42 LEU H H 33 7.914 7.914 8.487 -0.573 18219 688 1 2 . 1 1 43 43 PHE N N 34 119.757 119.757 118.957 0.800 18219 689 1 2 . 1 1 43 43 PHE HA H 34 4.200 4.200 4.077 0.123 18219 690 1 2 . 1 1 43 43 PHE C C 34 174.374 174.374 177.506 -3.132 18219 691 1 2 . 1 1 43 43 PHE CA C 34 59.876 59.876 62.085 -2.209 18219 692 1 2 . 1 1 43 43 PHE CB C 34 38.834 38.834 39.007 -0.173 18219 693 1 2 . 1 1 43 43 PHE H H 34 8.287 8.287 8.080 0.207 18219 694 1 2 . 1 1 44 44 VAL N N 35 117.791 117.791 118.663 -0.872 18219 695 1 2 . 1 1 44 44 VAL HA H 35 3.610 3.610 3.689 -0.079 18219 696 1 2 . 1 1 44 44 VAL C C 35 176.205 176.205 178.440 -2.235 18219 697 1 2 . 1 1 44 44 VAL CA C 35 64.559 64.559 66.743 -2.184 18219 698 1 2 . 1 1 44 44 VAL CB C 35 31.432 31.432 31.400 0.032 18219 699 1 2 . 1 1 44 44 VAL H H 35 8.235 8.235 8.378 -0.143 18219 700 1 2 . 1 1 45 45 GLY N N 36 108.551 108.551 107.164 1.387 18219 701 1 2 . 1 1 45 45 GLY C C 36 173.749 173.749 175.794 -2.045 18219 702 1 2 . 1 1 45 45 GLY CA C 36 46.083 46.083 47.069 -0.986 18219 703 1 2 . 1 1 45 45 GLY H H 36 8.178 8.178 8.539 -0.361 18219 704 1 2 . 1 1 46 46 CYS N N 37 121.173 121.173 122.263 -1.090 18219 705 1 2 . 1 1 46 46 CYS HA H 37 4.180 4.180 4.208 -0.028 18219 706 1 2 . 1 1 46 46 CYS C C 37 173.710 173.710 176.528 -2.818 18219 707 1 2 . 1 1 46 46 CYS CA C 37 63.000 63.000 63.909 -0.909 18219 708 1 2 . 1 1 46 46 CYS CB C 37 60.283 60.283 27.889 32.394 18219 709 1 2 . 1 1 46 46 CYS H H 37 8.253 8.253 8.170 0.083 18219 710 1 2 . 1 1 47 47 LEU N N 38 120.283 120.283 120.414 -0.131 18219 711 1 2 . 1 1 47 47 LEU HA H 38 4.060 4.060 4.172 -0.112 18219 712 1 2 . 1 1 47 47 LEU C C 38 176.679 176.679 177.839 -1.160 18219 713 1 2 . 1 1 47 47 LEU CA C 38 56.027 56.027 58.048 -2.022 18219 714 1 2 . 1 1 47 47 LEU CB C 38 41.464 41.464 40.974 0.490 18219 715 1 2 . 1 1 47 47 LEU H H 38 7.965 7.965 8.627 -0.662 18219 716 1 2 . 1 1 48 48 ALA N N 39 122.249 122.249 122.042 0.207 18219 717 1 2 . 1 1 48 48 ALA HA H 39 4.142 4.142 4.105 0.037 18219 718 1 2 . 1 1 48 48 ALA C C 39 177.915 177.915 179.673 -1.758 18219 719 1 2 . 1 1 48 48 ALA CA C 39 53.717 53.717 55.203 -1.486 18219 720 1 2 . 1 1 48 48 ALA CB C 39 17.985 17.985 18.195 -0.209 18219 721 1 2 . 1 1 48 48 ALA H H 39 8.066 8.066 7.994 0.072 18219 722 1 2 . 1 1 49 49 GLY N N 40 107.377 107.377 107.377 0.000 18219 723 1 2 . 1 1 49 49 GLY C C 40 172.527 172.527 175.787 -3.260 18219 724 1 2 . 1 1 49 49 GLY CA C 40 45.450 45.450 46.959 -1.509 18219 725 1 2 . 1 1 49 49 GLY H H 40 8.172 8.172 8.165 0.007 18219 726 1 2 . 1 1 50 50 TYR N N 41 122.409 122.409 123.117 -0.708 18219 727 1 2 . 1 1 50 50 TYR HA H 41 3.799 3.799 4.271 -0.472 18219 728 1 2 . 1 1 50 50 TYR C C 41 174.208 174.208 177.906 -3.698 18219 729 1 2 . 1 1 50 50 TYR CA C 41 59.245 59.245 60.953 -1.708 18219 730 1 2 . 1 1 50 50 TYR CB C 41 37.936 37.936 38.501 -0.565 18219 731 1 2 . 1 1 50 50 TYR H H 41 7.800 7.800 8.396 -0.596 18219 732 1 2 . 1 1 51 51 GLY N N 42 106.935 106.935 107.181 -0.246 18219 733 1 2 . 1 1 51 51 GLY C C 42 172.642 172.642 175.248 -2.606 18219 734 1 2 . 1 1 51 51 GLY CA C 42 46.265 46.265 45.647 0.618 18219 735 1 2 . 1 1 51 51 GLY H H 42 8.199 8.199 7.873 0.326 18219 736 1 2 . 1 1 52 52 ALA N N 43 123.018 123.018 123.775 -0.757 18219 737 1 2 . 1 1 52 52 ALA HA H 43 4.150 4.150 4.051 0.099 18219 738 1 2 . 1 1 52 52 ALA C C 43 176.398 176.398 178.869 -2.471 18219 739 1 2 . 1 1 52 52 ALA CA C 43 52.883 52.883 54.354 -1.471 18219 740 1 2 . 1 1 52 52 ALA CB C 43 18.241 18.241 18.893 -0.652 18219 741 1 2 . 1 1 52 52 ALA H H 43 7.758 7.758 7.954 -0.196 18219 742 1 2 . 1 1 53 53 TYR N N 44 119.664 119.664 116.130 3.534 18219 743 1 2 . 1 1 53 53 TYR HA H 44 4.318 4.318 4.029 0.289 18219 744 1 2 . 1 1 53 53 TYR C C 44 174.180 174.180 175.280 -1.100 18219 745 1 2 . 1 1 53 53 TYR CA C 44 58.593 58.593 61.491 -2.898 18219 746 1 2 . 1 1 53 53 TYR CB C 44 38.192 38.192 37.096 1.095 18219 747 1 2 . 1 1 53 53 TYR H H 44 7.920 7.920 8.427 -0.507 18219 748 1 2 . 1 1 54 54 ARG N N 45 119.516 119.516 118.622 0.894 18219 749 1 2 . 1 1 54 54 ARG HA H 45 3.930 3.930 4.473 -0.543 18219 750 1 2 . 1 1 54 54 ARG C C 45 174.423 174.423 175.795 -1.372 18219 751 1 2 . 1 1 54 54 ARG CA C 45 56.027 56.027 55.523 0.504 18219 752 1 2 . 1 1 54 54 ARG CB C 45 30.173 30.173 31.810 -1.637 18219 753 1 2 . 1 1 54 54 ARG H H 45 7.956 7.956 8.415 -0.459 18219 754 1 2 . 1 1 55 55 VAL N N 46 116.437 116.437 119.036 -2.599 18219 755 1 2 . 1 1 55 55 VAL HA H 46 4.060 4.060 3.961 0.099 18219 756 1 2 . 1 1 55 55 VAL C C 46 173.806 173.806 175.141 -1.335 18219 757 1 2 . 1 1 55 55 VAL CA C 46 62.300 62.300 63.481 -1.181 18219 758 1 2 . 1 1 55 55 VAL CB C 46 31.521 31.521 31.787 -0.266 18219 759 1 2 . 1 1 55 55 VAL H H 46 7.489 7.489 7.017 0.472 18219 760 1 2 . 1 1 56 56 SER N N 47 117.185 117.185 112.884 4.301 18219 761 1 2 . 1 1 56 56 SER HA H 47 4.401 4.401 4.589 -0.188 18219 762 1 2 . 1 1 56 56 SER C C 47 172.074 172.074 175.372 -3.298 18219 763 1 2 . 1 1 56 56 SER CA C 47 58.133 58.133 57.863 0.270 18219 764 1 2 . 1 1 56 56 SER CB C 47 63.468 63.468 64.405 -0.937 18219 765 1 2 . 1 1 56 56 SER H H 47 7.728 7.728 7.324 0.404 18219 766 1 2 . 1 1 57 57 ASN N N 48 121.049 121.049 125.876 -4.827 18219 767 1 2 . 1 1 57 57 ASN HA H 48 4.590 4.590 4.370 0.220 18219 768 1 2 . 1 1 57 57 ASN CA C 48 53.600 53.600 55.771 -2.171 18219 769 1 2 . 1 1 57 57 ASN CB C 48 38.641 38.641 37.239 1.402 18219 770 1 2 . 1 1 57 57 ASN H H 48 8.228 8.228 8.744 -0.516 18219 771 1 2 . 1 1 58 58 ASP N N 49 120.276 120.276 120.985 -0.709 18219 772 1 2 . 1 1 58 58 ASP HA H 49 4.530 4.530 4.600 -0.070 18219 773 1 2 . 1 1 58 58 ASP CA C 49 54.202 54.202 55.212 -1.010 18219 774 1 2 . 1 1 58 58 ASP CB C 49 40.374 40.374 41.294 -0.920 18219 775 1 2 . 1 1 58 58 ASP H H 49 8.192 8.192 8.181 0.011 18219 776 1 2 . 1 1 59 59 LYS N N 50 120.660 120.660 116.615 4.045 18219 777 1 2 . 1 1 59 59 LYS HA H 50 4.200 4.200 4.404 -0.204 18219 778 1 2 . 1 1 59 59 LYS C C 50 173.474 173.474 174.483 -1.009 18219 779 1 2 . 1 1 59 59 LYS CA C 50 56.300 56.300 54.906 1.394 18219 780 1 2 . 1 1 59 59 LYS CB C 50 32.034 32.034 35.539 -3.505 18219 781 1 2 . 1 1 59 59 LYS H H 50 8.003 8.003 7.408 0.595 18219 782 1 2 . 1 1 60 60 ARG N N 51 121.278 121.278 120.649 0.629 18219 783 1 2 . 1 1 60 60 ARG HA H 51 4.200 4.200 4.209 -0.009 18219 784 1 2 . 1 1 60 60 ARG C C 51 173.303 173.303 175.561 -2.258 18219 785 1 2 . 1 1 60 60 ARG CA C 51 56.283 56.283 57.166 -0.883 18219 786 1 2 . 1 1 60 60 ARG CB C 51 30.238 30.238 30.442 -0.204 18219 787 1 2 . 1 1 60 60 ARG H H 51 8.091 8.091 8.499 -0.408 18219 788 1 2 . 1 1 61 61 ASP N N 52 121.185 121.185 121.405 -0.220 18219 789 1 2 . 1 1 61 61 ASP HA H 52 4.615 4.615 4.649 -0.034 18219 790 1 2 . 1 1 61 61 ASP C C 52 173.777 173.777 177.785 -4.008 18219 791 1 2 . 1 1 61 61 ASP CA C 52 53.979 53.979 56.092 -2.113 18219 792 1 2 . 1 1 61 61 ASP CB C 52 40.245 40.245 41.651 -1.406 18219 793 1 2 . 1 1 61 61 ASP H H 52 8.261 8.261 8.506 -0.245 18219 794 1 2 . 1 1 62 62 VAL N N 53 121.902 121.902 120.449 1.453 18219 795 1 2 . 1 1 62 62 VAL HA H 53 3.950 3.950 3.788 0.162 18219 796 1 2 . 1 1 62 62 VAL C C 53 173.279 173.279 177.257 -3.978 18219 797 1 2 . 1 1 62 62 VAL CA C 53 63.176 63.176 64.650 -1.474 18219 798 1 2 . 1 1 62 62 VAL CB C 53 32.099 32.099 31.041 1.058 18219 799 1 2 . 1 1 62 62 VAL H H 53 7.997 7.997 8.130 -0.133 18219 800 1 2 . 1 1 63 63 LYS N N 54 123.522 123.522 119.709 3.813 18219 801 1 2 . 1 1 63 63 LYS HA H 54 4.260 4.260 4.076 0.184 18219 802 1 2 . 1 1 63 63 LYS C C 54 174.481 174.481 178.166 -3.685 18219 803 1 2 . 1 1 63 63 LYS CA C 54 56.347 56.347 59.621 -3.275 18219 804 1 2 . 1 1 63 63 LYS CB C 54 32.099 32.099 32.291 -0.192 18219 805 1 2 . 1 1 63 63 LYS H H 54 8.054 8.054 7.646 0.408 18219 806 1 2 . 1 1 64 64 VAL N N 55 120.647 120.647 119.653 0.994 18219 807 1 2 . 1 1 64 64 VAL HA H 55 3.947 3.947 4.010 -0.063 18219 808 1 2 . 1 1 64 64 VAL C C 55 174.955 174.955 178.129 -3.174 18219 809 1 2 . 1 1 64 64 VAL CA C 55 64.600 64.600 63.959 0.641 18219 810 1 2 . 1 1 64 64 VAL CB C 55 31.877 31.877 31.217 0.660 18219 811 1 2 . 1 1 64 64 VAL H H 55 8.225 8.225 8.197 0.028 18219 812 1 2 . 1 1 65 65 SER N N 56 117.785 117.785 117.021 0.764 18219 813 1 2 . 1 1 65 65 SER HA H 56 4.390 4.390 4.276 0.114 18219 814 1 2 . 1 1 65 65 SER C C 56 172.300 172.300 176.514 -4.214 18219 815 1 2 . 1 1 65 65 SER CA C 56 60.000 60.000 62.088 -2.088 18219 816 1 2 . 1 1 65 65 SER CB C 56 62.879 62.879 62.983 -0.104 18219 817 1 2 . 1 1 65 65 SER H H 56 8.260 8.260 7.859 0.401 18219 818 1 2 . 1 1 66 66 LEU N N 57 123.318 123.318 122.648 0.670 18219 819 1 2 . 1 1 66 66 LEU HA H 57 4.090 4.090 4.193 -0.103 18219 820 1 2 . 1 1 66 66 LEU C C 57 175.932 175.932 177.879 -1.947 18219 821 1 2 . 1 1 66 66 LEU CA C 57 57.502 57.502 58.233 -0.731 18219 822 1 2 . 1 1 66 66 LEU CB C 57 41.721 41.721 41.988 -0.267 18219 823 1 2 . 1 1 66 66 LEU H H 57 8.091 8.091 8.120 -0.029 18219 824 1 2 . 1 1 67 67 PHE N N 58 118.020 118.020 118.805 -0.785 18219 825 1 2 . 1 1 67 67 PHE HA H 58 4.330 4.330 4.046 0.284 18219 826 1 2 . 1 1 67 67 PHE C C 58 174.912 174.912 177.314 -2.402 18219 827 1 2 . 1 1 67 67 PHE CA C 58 60.600 60.600 62.053 -1.453 18219 828 1 2 . 1 1 67 67 PHE CB C 58 38.552 38.552 38.864 -0.312 18219 829 1 2 . 1 1 67 67 PHE H H 58 8.066 8.066 8.606 -0.540 18219 830 1 2 . 1 1 68 68 THR N N 59 115.324 115.324 116.288 -0.964 18219 831 1 2 . 1 1 68 68 THR HA H 59 4.310 4.310 3.972 0.338 18219 832 1 2 . 1 1 68 68 THR C C 59 173.380 173.380 176.225 -2.845 18219 833 1 2 . 1 1 68 68 THR CA C 59 66.313 66.313 67.703 -1.390 18219 834 1 2 . 1 1 68 68 THR CB C 59 67.700 67.700 68.667 -0.967 18219 835 1 2 . 1 1 68 68 THR H H 59 8.287 8.287 8.114 0.173 18219 836 1 2 . 1 1 69 69 ALA N N 60 123.621 123.621 124.671 -1.050 18219 837 1 2 . 1 1 69 69 ALA HA H 60 4.280 4.280 4.101 0.179 18219 838 1 2 . 1 1 69 69 ALA C C 60 176.978 176.978 179.941 -2.963 18219 839 1 2 . 1 1 69 69 ALA CA C 60 55.100 55.100 55.075 0.025 18219 840 1 2 . 1 1 69 69 ALA CB C 60 17.728 17.728 18.288 -0.560 18219 841 1 2 . 1 1 69 69 ALA H H 60 7.983 7.983 8.036 -0.053 18219 842 1 2 . 1 1 70 70 PHE N N 61 118.520 118.520 118.649 -0.129 18219 843 1 2 . 1 1 70 70 PHE HA H 61 4.260 4.260 4.160 0.100 18219 844 1 2 . 1 1 70 70 PHE C C 61 175.369 175.369 177.358 -1.989 18219 845 1 2 . 1 1 70 70 PHE CA C 61 60.179 60.179 61.531 -1.352 18219 846 1 2 . 1 1 70 70 PHE CB C 61 38.706 38.706 39.120 -0.414 18219 847 1 2 . 1 1 70 70 PHE H H 61 8.007 8.007 8.905 -0.898 18219 848 1 2 . 1 1 71 71 PHE N N 62 122.314 122.314 120.251 2.063 18219 849 1 2 . 1 1 71 71 PHE HA H 62 4.000 4.000 3.975 0.025 18219 850 1 2 . 1 1 71 71 PHE C C 62 174.697 174.697 177.550 -2.853 18219 851 1 2 . 1 1 71 71 PHE CA C 62 60.517 60.517 62.618 -2.102 18219 852 1 2 . 1 1 71 71 PHE CB C 62 38.770 38.770 38.961 -0.191 18219 853 1 2 . 1 1 71 71 PHE H H 62 8.546 8.546 8.106 0.440 18219 854 1 2 . 1 1 72 72 LEU N N 63 119.399 119.399 119.803 -0.404 18219 855 1 2 . 1 1 72 72 LEU HA H 63 3.870 3.870 3.901 -0.031 18219 856 1 2 . 1 1 72 72 LEU C C 63 175.774 175.774 177.995 -2.221 18219 857 1 2 . 1 1 72 72 LEU CA C 63 56.925 56.925 58.178 -1.253 18219 858 1 2 . 1 1 72 72 LEU CB C 63 41.207 41.207 41.651 -0.444 18219 859 1 2 . 1 1 72 72 LEU H H 63 8.396 8.396 8.829 -0.433 18219 860 1 2 . 1 1 73 73 ALA N N 64 120.221 120.221 120.849 -0.628 18219 861 1 2 . 1 1 73 73 ALA HA H 64 3.960 3.960 3.853 0.107 18219 862 1 2 . 1 1 73 73 ALA C C 64 177.267 177.267 179.674 -2.407 18219 863 1 2 . 1 1 73 73 ALA CA C 64 54.600 54.600 55.493 -0.893 18219 864 1 2 . 1 1 73 73 ALA CB C 64 17.784 17.784 17.747 0.037 18219 865 1 2 . 1 1 73 73 ALA H H 64 8.025 8.025 8.006 0.019 18219 866 1 2 . 1 1 74 74 THR N N 65 113.648 113.648 114.546 -0.898 18219 867 1 2 . 1 1 74 74 THR HA H 65 3.980 3.980 3.909 0.071 18219 868 1 2 . 1 1 74 74 THR CA C 65 66.291 66.291 66.595 -0.304 18219 869 1 2 . 1 1 74 74 THR CB C 65 67.914 67.914 68.550 -0.636 18219 870 1 2 . 1 1 74 74 THR H H 65 7.717 7.717 7.839 -0.122 18219 871 1 2 . 1 1 75 75 ILE N N 66 120.291 120.291 121.547 -1.256 18219 872 1 2 . 1 1 75 75 ILE HA H 66 3.740 3.740 3.621 0.119 18219 873 1 2 . 1 1 75 75 ILE C C 66 174.951 174.951 177.396 -2.445 18219 874 1 2 . 1 1 75 75 ILE CA C 66 64.880 64.880 64.047 0.833 18219 875 1 2 . 1 1 75 75 ILE CB C 66 37.166 37.166 37.448 -0.282 18219 876 1 2 . 1 1 75 75 ILE H H 66 7.738 7.738 7.934 -0.196 18219 877 1 2 . 1 1 76 76 MET N N 67 117.618 117.618 117.682 -0.064 18219 878 1 2 . 1 1 76 76 MET HA H 67 4.220 4.220 4.228 -0.008 18219 879 1 2 . 1 1 76 76 MET C C 67 175.142 175.142 176.988 -1.846 18219 880 1 2 . 1 1 76 76 MET CA C 67 56.723 56.723 57.393 -0.670 18219 881 1 2 . 1 1 76 76 MET CB C 67 31.951 31.951 33.467 -1.516 18219 882 1 2 . 1 1 76 76 MET H H 67 7.823 7.823 8.407 -0.584 18219 883 1 2 . 1 1 77 77 GLY N N 68 107.110 107.110 104.118 2.992 18219 884 1 2 . 1 1 77 77 GLY C C 68 172.260 172.260 174.613 -2.353 18219 885 1 2 . 1 1 77 77 GLY CA C 68 45.800 45.800 44.526 1.274 18219 886 1 2 . 1 1 77 77 GLY H H 68 7.937 7.937 8.034 -0.097 18219 887 1 2 . 1 1 78 78 VAL N N 69 120.431 120.431 118.243 2.188 18219 888 1 2 . 1 1 78 78 VAL HA H 69 4.220 4.220 3.571 0.649 18219 889 1 2 . 1 1 78 78 VAL CA C 69 63.900 63.900 65.193 -1.293 18219 890 1 2 . 1 1 78 78 VAL CB C 69 31.506 31.506 31.776 -0.270 18219 891 1 2 . 1 1 78 78 VAL H H 69 7.697 7.697 8.039 -0.342 18219 892 1 2 . 1 1 79 79 ARG N N 70 121.420 121.420 118.771 2.649 18219 893 1 2 . 1 1 79 79 ARG HA H 70 3.810 3.810 4.050 -0.240 18219 894 1 2 . 1 1 79 79 ARG CA C 70 56.400 56.400 57.047 -0.647 18219 895 1 2 . 1 1 79 79 ARG CB C 70 30.097 30.097 30.728 -0.631 18219 896 1 2 . 1 1 79 79 ARG H H 70 7.889 7.889 7.561 0.328 18219 897 1 2 . 1 1 80 80 PHE N N 71 119.949 119.949 124.884 -4.935 18219 898 1 2 . 1 1 80 80 PHE HA H 71 4.510 4.510 4.014 0.496 18219 899 1 2 . 1 1 80 80 PHE CA C 71 58.600 58.600 61.296 -2.696 18219 900 1 2 . 1 1 80 80 PHE CB C 71 39.145 39.145 39.302 -0.157 18219 901 1 2 . 1 1 80 80 PHE H H 71 8.101 8.101 8.634 -0.533 18219 902 1 2 . 1 1 81 81 LYS N N 72 122.193 122.193 115.954 6.239 18219 903 1 2 . 1 1 81 81 LYS CA C 72 56.800 56.800 58.730 -1.930 18219 904 1 2 . 1 1 81 81 LYS CB C 72 32.322 32.322 31.486 0.836 18219 905 1 2 . 1 1 81 81 LYS H H 72 8.090 8.090 8.304 -0.214 18219 906 1 2 . 1 1 82 82 ARG N N 73 119.650 119.650 118.206 1.444 18219 907 1 2 . 1 1 82 82 ARG CA C 73 56.089 56.089 56.297 -0.207 18219 908 1 2 . 1 1 82 82 ARG CB C 73 30.171 30.171 31.769 -1.598 18219 909 1 2 . 1 1 82 82 ARG H H 73 8.052 8.052 8.351 -0.299 18219 910 1 2 . 1 1 83 83 SER N N 74 115.734 115.734 113.455 2.279 18219 911 1 2 . 1 1 83 83 SER CA C 74 58.355 58.355 57.792 0.563 18219 912 1 2 . 1 1 83 83 SER CB C 74 63.404 63.404 64.499 -1.095 18219 913 1 2 . 1 1 83 83 SER H H 74 7.912 7.912 7.669 0.243 18219 914 1 2 . 1 1 84 84 LYS N N 75 122.370 122.370 121.144 1.226 18219 915 1 2 . 1 1 84 84 LYS CA C 75 56.135 56.135 56.764 -0.629 18219 916 1 2 . 1 1 84 84 LYS CB C 75 32.175 32.175 31.550 0.625 18219 917 1 2 . 1 1 84 84 LYS H H 75 8.067 8.067 8.443 -0.376 18219 918 1 2 . 1 1 86 86 ILE N N 77 119.592 119.592 112.296 7.296 18219 919 1 2 . 1 1 86 86 ILE HA H 77 3.810 3.810 4.382 -0.572 18219 920 1 2 . 1 1 86 86 ILE CA C 77 64.900 64.900 61.163 3.737 18219 921 1 2 . 1 1 86 86 ILE CB C 77 39.145 39.145 38.768 0.377 18219 922 1 2 . 1 1 86 86 ILE H H 77 7.837 7.837 7.836 0.001 18219 923 1 2 . 1 1 87 87 MET N N 78 121.645 121.645 120.608 1.037 18219 924 1 2 . 1 1 87 87 MET CA C 78 52.982 52.982 58.654 -5.672 18219 925 1 2 . 1 1 87 87 MET CB C 78 32.173 32.173 31.229 0.944 18219 926 1 2 . 1 1 87 87 MET H H 78 7.950 7.950 7.516 0.434 18219 927 1 2 . 1 1 88 88 PRO HA H 79 4.140 4.140 4.380 -0.240 18219 928 1 2 . 1 1 88 88 PRO C C 79 173.921 173.921 177.250 -3.329 18219 929 1 2 . 1 1 88 88 PRO CA C 79 62.800 62.800 62.967 -0.167 18219 930 1 2 . 1 1 88 88 PRO CB C 79 31.136 31.136 32.032 -0.896 18219 931 1 2 . 1 1 89 89 ALA N N 80 124.431 124.431 118.936 5.495 18219 932 1 2 . 1 1 89 89 ALA HA H 80 4.400 4.400 4.078 0.322 18219 933 1 2 . 1 1 89 89 ALA C C 80 176.234 176.234 179.558 -3.324 18219 934 1 2 . 1 1 89 89 ALA CA C 80 53.300 53.300 54.364 -1.063 18219 935 1 2 . 1 1 89 89 ALA CB C 80 18.498 18.498 17.280 1.218 18219 936 1 2 . 1 1 89 89 ALA H H 80 8.320 8.320 8.599 -0.279 18219 937 1 2 . 1 1 90 90 GLY N N 81 106.834 106.834 107.125 -0.291 18219 938 1 2 . 1 1 90 90 GLY C C 81 172.398 172.398 175.945 -3.547 18219 939 1 2 . 1 1 90 90 GLY CA C 81 45.600 45.600 47.035 -1.435 18219 940 1 2 . 1 1 90 90 GLY H H 81 8.458 8.458 8.071 0.387 18219 941 1 2 . 1 1 91 91 LEU N N 82 121.043 121.043 121.226 -0.183 18219 942 1 2 . 1 1 91 91 LEU HA H 82 4.200 4.200 4.042 0.158 18219 943 1 2 . 1 1 91 91 LEU C C 82 174.783 174.783 178.925 -4.142 18219 944 1 2 . 1 1 91 91 LEU CA C 82 56.300 56.300 58.208 -1.908 18219 945 1 2 . 1 1 91 91 LEU CB C 82 42.106 42.106 40.978 1.128 18219 946 1 2 . 1 1 91 91 LEU H H 82 7.687 7.687 8.078 -0.391 18219 947 1 2 . 1 1 92 92 VAL N N 83 114.737 114.737 119.146 -4.409 18219 948 1 2 . 1 1 92 92 VAL HA H 83 3.980 3.980 3.622 0.358 18219 949 1 2 . 1 1 92 92 VAL C C 83 173.634 173.634 177.889 -4.255 18219 950 1 2 . 1 1 92 92 VAL CA C 83 62.400 62.400 66.940 -4.540 18219 951 1 2 . 1 1 92 92 VAL CB C 83 31.585 31.585 31.334 0.251 18219 952 1 2 . 1 1 92 92 VAL H H 83 7.602 7.602 8.014 -0.412 18219 953 1 2 . 1 1 93 93 ALA N N 84 124.320 124.320 121.009 3.311 18219 954 1 2 . 1 1 93 93 ALA HA H 84 4.150 4.150 3.982 0.168 18219 955 1 2 . 1 1 93 93 ALA C C 84 175.746 175.746 179.950 -4.204 18219 956 1 2 . 1 1 93 93 ALA CA C 84 53.300 53.300 55.358 -2.058 18219 957 1 2 . 1 1 93 93 ALA CB C 84 18.241 18.241 17.914 0.327 18219 958 1 2 . 1 1 93 93 ALA H H 84 7.891 7.891 8.265 -0.374 18219 959 1 2 . 1 1 94 94 GLY N N 85 106.807 106.807 107.238 -0.431 18219 960 1 2 . 1 1 94 94 GLY C C 85 171.752 171.752 175.833 -4.081 18219 961 1 2 . 1 1 94 94 GLY CA C 85 45.249 45.249 46.573 -1.324 18219 962 1 2 . 1 1 94 94 GLY H H 85 8.204 8.204 8.048 0.156 18219 963 1 2 . 1 1 95 95 LEU N N 86 121.266 121.266 122.632 -1.366 18219 964 1 2 . 1 1 95 95 LEU HA H 86 4.380 4.380 4.104 0.276 18219 965 1 2 . 1 1 95 95 LEU C C 86 173.702 173.702 179.055 -5.353 18219 966 1 2 . 1 1 95 95 LEU CA C 86 55.000 55.000 57.604 -2.604 18219 967 1 2 . 1 1 95 95 LEU CB C 86 42.298 42.298 41.088 1.210 18219 968 1 2 . 1 1 95 95 LEU H H 86 7.718 7.718 8.053 -0.335 18219 969 1 2 . 1 1 96 96 SER N N 87 115.658 115.658 115.700 -0.042 18219 970 1 2 . 1 1 96 96 SER HA H 87 4.370 4.370 4.272 0.098 18219 971 1 2 . 1 1 96 96 SER C C 87 172.479 172.479 176.924 -4.445 18219 972 1 2 . 1 1 96 96 SER CA C 87 57.200 57.200 61.774 -4.574 18219 973 1 2 . 1 1 96 96 SER CB C 87 64.174 64.174 62.901 1.274 18219 974 1 2 . 1 1 96 96 SER H H 87 7.659 7.659 8.193 -0.534 18219 975 1 2 . 1 1 97 97 LEU N N 88 123.720 123.720 122.919 0.801 18219 976 1 2 . 1 1 97 97 LEU HA H 88 4.600 4.600 4.063 0.537 18219 977 1 2 . 1 1 97 97 LEU C C 88 175.932 175.932 179.412 -3.480 18219 978 1 2 . 1 1 97 97 LEU CA C 88 57.600 57.600 57.823 -0.223 18219 979 1 2 . 1 1 97 97 LEU CB C 88 41.400 41.400 41.251 0.149 18219 980 1 2 . 1 1 97 97 LEU H H 88 8.733 8.733 8.157 0.576 18219 981 1 2 . 1 1 98 98 MET N N 89 116.684 116.684 119.833 -3.149 18219 982 1 2 . 1 1 98 98 MET HA H 89 4.280 4.280 4.234 0.046 18219 983 1 2 . 1 1 98 98 MET C C 89 175.789 175.789 178.298 -2.509 18219 984 1 2 . 1 1 98 98 MET CA C 89 56.915 56.915 57.516 -0.601 18219 985 1 2 . 1 1 98 98 MET CB C 89 31.007 31.007 31.805 -0.798 18219 986 1 2 . 1 1 98 98 MET H H 89 8.342 8.342 8.469 -0.127 18219 987 1 2 . 1 1 99 99 MET N N 90 119.182 119.182 120.073 -0.891 18219 988 1 2 . 1 1 99 99 MET HA H 90 4.110 4.110 4.099 0.011 18219 989 1 2 . 1 1 99 99 MET C C 90 175.588 175.588 179.114 -3.526 18219 990 1 2 . 1 1 99 99 MET CA C 90 57.951 57.951 59.340 -1.389 18219 991 1 2 . 1 1 99 99 MET CB C 90 32.226 32.226 32.382 -0.156 18219 992 1 2 . 1 1 99 99 MET H H 90 7.720 7.720 8.086 -0.366 18219 993 1 2 . 1 1 100 100 ILE N N 91 119.077 119.077 119.859 -0.782 18219 994 1 2 . 1 1 100 100 ILE HA H 91 4.110 4.110 3.852 0.258 18219 995 1 2 . 1 1 100 100 ILE C C 91 174.634 174.634 177.030 -2.396 18219 996 1 2 . 1 1 100 100 ILE CA C 91 64.100 64.100 64.579 -0.479 18219 997 1 2 . 1 1 100 100 ILE CB C 91 37.143 37.143 38.371 -1.228 18219 998 1 2 . 1 1 100 100 ILE H H 91 7.662 7.662 8.206 -0.544 18219 999 1 2 . 1 1 101 101 LEU N N 92 119.646 119.646 120.633 -0.987 18219 1000 1 2 . 1 1 101 101 LEU HA H 92 4.530 4.530 3.957 0.573 18219 1001 1 2 . 1 1 101 101 LEU C C 92 175.430 175.430 178.015 -2.585 18219 1002 1 2 . 1 1 101 101 LEU CA C 92 57.800 57.800 57.720 0.080 18219 1003 1 2 . 1 1 101 101 LEU CB C 92 40.758 40.758 41.792 -1.034 18219 1004 1 2 . 1 1 101 101 LEU H H 92 8.142 8.142 7.738 0.404 18219 1005 1 2 . 1 1 102 102 ARG N N 93 116.394 116.394 117.171 -0.777 18219 1006 1 2 . 1 1 102 102 ARG HA H 93 4.140 4.140 4.328 -0.188 18219 1007 1 2 . 1 1 102 102 ARG C C 93 175.961 175.961 178.743 -2.782 18219 1008 1 2 . 1 1 102 102 ARG CA C 93 59.100 59.100 58.056 1.044 18219 1009 1 2 . 1 1 102 102 ARG CB C 93 29.404 29.404 30.918 -1.514 18219 1010 1 2 . 1 1 102 102 ARG H H 93 7.893 7.893 7.932 -0.039 18219 1011 1 2 . 1 1 103 103 LEU N N 94 119.114 119.114 121.845 -2.731 18219 1012 1 2 . 1 1 103 103 LEU HA H 94 4.110 4.110 4.139 -0.029 18219 1013 1 2 . 1 1 103 103 LEU C C 94 175.889 175.889 178.402 -2.513 18219 1014 1 2 . 1 1 103 103 LEU CA C 94 57.300 57.300 57.683 -0.383 18219 1015 1 2 . 1 1 103 103 LEU CB C 94 41.296 41.296 41.971 -0.675 18219 1016 1 2 . 1 1 103 103 LEU H H 94 7.622 7.622 7.806 -0.184 18219 1017 1 2 . 1 1 104 104 VAL N N 95 117.704 117.704 119.704 -2.000 18219 1018 1 2 . 1 1 104 104 VAL HA H 95 3.530 3.530 3.722 -0.192 18219 1019 1 2 . 1 1 104 104 VAL C C 95 175.042 175.042 177.373 -2.331 18219 1020 1 2 . 1 1 104 104 VAL CA C 95 66.419 66.419 65.657 0.762 18219 1021 1 2 . 1 1 104 104 VAL CB C 95 31.357 31.357 31.954 -0.597 18219 1022 1 2 . 1 1 104 104 VAL H H 95 8.026 8.026 8.350 -0.324 18219 1023 1 2 . 1 1 105 105 LEU N N 96 117.185 117.185 112.880 4.305 18219 1024 1 2 . 1 1 105 105 LEU HA H 96 3.980 3.980 4.486 -0.506 18219 1025 1 2 . 1 1 105 105 LEU C C 96 176.579 176.579 177.448 -0.869 18219 1026 1 2 . 1 1 105 105 LEU CA C 96 56.800 56.800 54.553 2.247 18219 1027 1 2 . 1 1 105 105 LEU CB C 96 40.951 40.951 42.588 -1.637 18219 1028 1 2 . 1 1 105 105 LEU H H 96 7.893 7.893 7.532 0.361 18219 1029 1 2 . 1 1 106 106 LEU N N 97 118.471 118.471 118.828 -0.357 18219 1030 1 2 . 1 1 106 106 LEU HA H 97 4.180 4.180 3.846 0.334 18219 1031 1 2 . 1 1 106 106 LEU C C 97 175.802 175.802 176.808 -1.006 18219 1032 1 2 . 1 1 106 106 LEU CA C 97 56.300 56.300 55.681 0.619 18219 1033 1 2 . 1 1 106 106 LEU CB C 97 41.592 41.592 41.300 0.292 18219 1034 1 2 . 1 1 106 106 LEU H H 97 7.545 7.545 7.453 0.092 18219 1035 1 2 . 1 1 107 107 LEU N N 98 118.162 118.162 117.923 0.239 18219 1036 1 2 . 1 1 107 107 LEU HA H 98 4.230 4.230 4.201 0.029 18219 1037 1 2 . 1 1 107 107 LEU C C 98 174.174 174.174 177.871 -3.697 18219 1038 1 2 . 1 1 107 107 LEU CA C 98 56.283 56.283 55.153 1.130 18219 1039 1 2 . 1 1 107 107 LEU CB C 98 42.362 42.362 42.466 -0.104 18219 1040 1 2 . 1 1 107 107 LEU H H 98 7.688 7.688 8.125 -0.437 18219 1041 1 3 . 1 1 11 11 ASP N N 2 120.536 120.536 118.410 2.126 18219 1042 1 3 . 1 1 11 11 ASP CA C 2 55.918 55.918 54.548 1.369 18219 1043 1 3 . 1 1 11 11 ASP CB C 2 37.959 37.959 41.209 -3.251 18219 1044 1 3 . 1 1 11 11 ASP H H 2 7.863 7.863 8.036 -0.173 18219 1045 1 3 . 1 1 12 12 LEU N N 3 121.414 121.414 121.419 -0.005 18219 1046 1 3 . 1 1 12 12 LEU C C 3 176.162 176.162 179.289 -3.127 18219 1047 1 3 . 1 1 12 12 LEU CA C 3 57.600 57.600 56.081 1.519 18219 1048 1 3 . 1 1 12 12 LEU CB C 3 41.657 41.657 42.096 -0.439 18219 1049 1 3 . 1 1 12 12 LEU H H 3 8.285 8.285 7.860 0.425 18219 1050 1 3 . 1 1 13 13 ILE N N 4 118.854 118.854 118.646 0.208 18219 1051 1 3 . 1 1 13 13 ILE HA H 4 3.740 3.740 3.857 -0.117 18219 1052 1 3 . 1 1 13 13 ILE C C 4 175.228 175.228 177.631 -2.403 18219 1053 1 3 . 1 1 13 13 ILE CA C 4 64.500 64.500 63.594 0.906 18219 1054 1 3 . 1 1 13 13 ILE CB C 4 37.102 37.102 37.915 -0.813 18219 1055 1 3 . 1 1 13 13 ILE H H 4 8.031 8.031 7.852 0.179 18219 1056 1 3 . 1 1 14 14 GLY N N 5 107.478 107.478 106.359 1.119 18219 1057 1 3 . 1 1 14 14 GLY C C 5 174.424 174.424 176.071 -1.647 18219 1058 1 3 . 1 1 14 14 GLY CA C 5 47.059 47.059 46.710 0.349 18219 1059 1 3 . 1 1 14 14 GLY H H 5 8.148 8.148 8.223 -0.075 18219 1060 1 3 . 1 1 15 15 PHE N N 6 122.774 122.774 123.721 -0.947 18219 1061 1 3 . 1 1 15 15 PHE HA H 6 4.480 4.480 4.239 0.241 18219 1062 1 3 . 1 1 15 15 PHE C C 6 175.113 175.113 177.191 -2.078 18219 1063 1 3 . 1 1 15 15 PHE CA C 6 60.017 60.017 61.795 -1.778 18219 1064 1 3 . 1 1 15 15 PHE CB C 6 38.774 38.774 38.530 0.244 18219 1065 1 3 . 1 1 15 15 PHE H H 6 8.194 8.194 8.568 -0.374 18219 1066 1 3 . 1 1 16 16 GLY N N 7 107.938 107.938 106.723 1.215 18219 1067 1 3 . 1 1 16 16 GLY C C 7 171.838 171.838 175.658 -3.820 18219 1068 1 3 . 1 1 16 16 GLY CA C 7 47.100 47.100 47.599 -0.499 18219 1069 1 3 . 1 1 16 16 GLY H H 7 8.697 8.697 8.642 0.055 18219 1070 1 3 . 1 1 17 17 TYR N N 8 121.785 121.785 123.018 -1.233 18219 1071 1 3 . 1 1 17 17 TYR HA H 8 4.150 4.150 4.121 0.029 18219 1072 1 3 . 1 1 17 17 TYR C C 8 174.180 174.180 177.713 -3.533 18219 1073 1 3 . 1 1 17 17 TYR CA C 8 61.300 61.300 61.567 -0.267 18219 1074 1 3 . 1 1 17 17 TYR CB C 8 37.959 37.959 38.310 -0.352 18219 1075 1 3 . 1 1 17 17 TYR H H 8 8.710 8.710 8.415 0.295 18219 1076 1 3 . 1 1 18 18 ALA N N 9 120.233 120.233 120.899 -0.666 18219 1077 1 3 . 1 1 18 18 ALA HA H 9 3.950 3.950 3.963 -0.013 18219 1078 1 3 . 1 1 18 18 ALA C C 9 178.059 178.059 178.804 -0.745 18219 1079 1 3 . 1 1 18 18 ALA CA C 9 54.872 54.872 54.503 0.369 18219 1080 1 3 . 1 1 18 18 ALA CB C 9 17.562 17.562 17.692 -0.130 18219 1081 1 3 . 1 1 18 18 ALA H H 9 7.843 7.843 7.838 0.005 18219 1082 1 3 . 1 1 19 19 ALA N N 10 121.797 121.797 122.932 -1.135 18219 1083 1 3 . 1 1 19 19 ALA HA H 10 3.950 3.950 4.001 -0.051 18219 1084 1 3 . 1 1 19 19 ALA C C 10 176.191 176.191 179.436 -3.245 18219 1085 1 3 . 1 1 19 19 ALA CA C 10 54.600 54.600 54.947 -0.347 18219 1086 1 3 . 1 1 19 19 ALA CB C 10 17.562 17.562 18.373 -0.811 18219 1087 1 3 . 1 1 19 19 ALA H H 10 8.212 8.212 8.215 -0.003 18219 1088 1 3 . 1 1 20 20 LEU N N 11 119.442 119.442 117.338 2.104 18219 1089 1 3 . 1 1 20 20 LEU HA H 11 3.937 3.937 4.001 -0.064 18219 1090 1 3 . 1 1 20 20 LEU C C 11 176.694 176.694 178.894 -2.200 18219 1091 1 3 . 1 1 20 20 LEU CA C 11 57.800 57.800 57.968 -0.168 18219 1092 1 3 . 1 1 20 20 LEU CB C 11 41.222 41.222 41.047 0.174 18219 1093 1 3 . 1 1 20 20 LEU H H 11 8.065 8.065 8.289 -0.224 18219 1094 1 3 . 1 1 21 21 VAL N N 12 118.323 118.323 120.387 -2.064 18219 1095 1 3 . 1 1 21 21 VAL HA H 12 3.640 3.640 3.560 0.080 18219 1096 1 3 . 1 1 21 21 VAL C C 12 176.536 176.536 178.560 -2.024 18219 1097 1 3 . 1 1 21 21 VAL CA C 12 65.400 65.400 66.994 -1.594 18219 1098 1 3 . 1 1 21 21 VAL CB C 12 31.135 31.135 30.727 0.408 18219 1099 1 3 . 1 1 21 21 VAL H H 12 8.051 8.051 8.453 -0.402 18219 1100 1 3 . 1 1 22 22 THR N N 13 118.298 118.298 116.584 1.714 18219 1101 1 3 . 1 1 22 22 THR HA H 13 4.660 4.660 4.025 0.635 18219 1102 1 3 . 1 1 22 22 THR C C 13 173.734 173.734 176.544 -2.810 18219 1103 1 3 . 1 1 22 22 THR CA C 13 66.300 66.300 66.660 -0.360 18219 1104 1 3 . 1 1 22 22 THR CB C 13 67.775 67.775 68.487 -0.712 18219 1105 1 3 . 1 1 22 22 THR H H 13 7.944 7.944 7.987 -0.043 18219 1106 1 3 . 1 1 23 23 PHE N N 14 121.328 121.328 122.509 -1.181 18219 1107 1 3 . 1 1 23 23 PHE HA H 14 4.340 4.340 4.231 0.109 18219 1108 1 3 . 1 1 23 23 PHE C C 14 174.783 174.783 177.166 -2.383 18219 1109 1 3 . 1 1 23 23 PHE CA C 14 60.500 60.500 61.518 -1.018 18219 1110 1 3 . 1 1 23 23 PHE CB C 14 38.626 38.626 38.828 -0.202 18219 1111 1 3 . 1 1 23 23 PHE H H 14 8.567 8.567 8.404 0.163 18219 1112 1 3 . 1 1 24 24 GLY N N 15 106.871 106.871 105.226 1.645 18219 1113 1 3 . 1 1 24 24 GLY C C 15 172.858 172.858 176.632 -3.774 18219 1114 1 3 . 1 1 24 24 GLY CA C 15 46.900 46.900 47.203 -0.303 18219 1115 1 3 . 1 1 24 24 GLY H H 15 8.475 8.475 8.856 -0.381 18219 1116 1 3 . 1 1 25 25 SER N N 16 116.214 116.214 118.484 -2.270 18219 1117 1 3 . 1 1 25 25 SER HA H 16 4.280 4.280 4.193 0.087 18219 1118 1 3 . 1 1 25 25 SER CA C 16 60.300 60.300 61.724 -1.425 18219 1119 1 3 . 1 1 25 25 SER CB C 16 62.879 62.879 63.196 -0.317 18219 1120 1 3 . 1 1 25 25 SER H H 16 7.963 7.963 7.918 0.045 18219 1121 1 3 . 1 1 26 26 ILE N N 17 121.024 121.024 122.457 -1.433 18219 1122 1 3 . 1 1 26 26 ILE HA H 17 3.946 3.946 3.546 0.400 18219 1123 1 3 . 1 1 26 26 ILE C C 17 173.935 173.935 178.093 -4.158 18219 1124 1 3 . 1 1 26 26 ILE CA C 17 63.100 63.100 65.001 -1.901 18219 1125 1 3 . 1 1 26 26 ILE CB C 17 38.107 38.107 38.077 0.030 18219 1126 1 3 . 1 1 26 26 ILE H H 17 7.676 7.676 7.949 -0.273 18219 1127 1 3 . 1 1 27 27 PHE N N 18 117.142 117.142 119.055 -1.913 18219 1128 1 3 . 1 1 27 27 PHE HA H 18 4.430 4.430 4.032 0.398 18219 1129 1 3 . 1 1 27 27 PHE C C 18 173.504 173.504 177.898 -4.394 18219 1130 1 3 . 1 1 27 27 PHE CA C 18 58.500 58.500 61.244 -2.744 18219 1131 1 3 . 1 1 27 27 PHE CB C 18 38.774 38.774 38.475 0.299 18219 1132 1 3 . 1 1 27 27 PHE H H 18 7.703 7.703 8.174 -0.471 18219 1133 1 3 . 1 1 28 28 GLY N N 19 107.303 107.303 106.031 1.272 18219 1134 1 3 . 1 1 28 28 GLY C C 19 171.593 171.593 174.185 -2.592 18219 1135 1 3 . 1 1 28 28 GLY CA C 19 45.600 45.600 45.874 -0.274 18219 1136 1 3 . 1 1 28 28 GLY H H 19 7.722 7.722 7.766 -0.044 18219 1137 1 3 . 1 1 29 29 TYR N N 20 119.862 119.862 119.815 0.047 18219 1138 1 3 . 1 1 29 29 TYR HA H 20 4.392 4.392 4.096 0.296 18219 1139 1 3 . 1 1 29 29 TYR C C 20 173.174 173.174 174.925 -1.751 18219 1140 1 3 . 1 1 29 29 TYR CA C 20 58.500 58.500 57.959 0.541 18219 1141 1 3 . 1 1 29 29 TYR CB C 20 38.404 38.404 37.462 0.942 18219 1142 1 3 . 1 1 29 29 TYR H H 20 7.880 7.880 7.718 0.162 18219 1143 1 3 . 1 1 30 30 LYS N N 21 122.335 122.335 125.117 -2.782 18219 1144 1 3 . 1 1 30 30 LYS HA H 21 4.390 4.390 4.071 0.319 18219 1145 1 3 . 1 1 30 30 LYS C C 21 173.547 173.547 176.638 -3.091 18219 1146 1 3 . 1 1 30 30 LYS CA C 21 55.800 55.800 57.069 -1.269 18219 1147 1 3 . 1 1 30 30 LYS CB C 21 32.396 32.396 33.193 -0.797 18219 1148 1 3 . 1 1 30 30 LYS H H 21 7.934 7.934 8.440 -0.506 18219 1149 1 3 . 1 1 31 31 ARG N N 22 120.612 120.612 121.920 -1.308 18219 1150 1 3 . 1 1 31 31 ARG C C 22 173.547 173.547 176.559 -3.012 18219 1151 1 3 . 1 1 31 31 ARG CA C 22 55.834 55.834 58.080 -2.246 18219 1152 1 3 . 1 1 31 31 ARG CB C 22 30.101 30.101 29.279 0.822 18219 1153 1 3 . 1 1 31 31 ARG H H 22 7.905 7.905 8.645 -0.740 18219 1154 1 3 . 1 1 32 32 ARG N N 23 121.748 121.748 126.020 -4.272 18219 1155 1 3 . 1 1 32 32 ARG HA H 23 4.310 4.310 4.315 -0.005 18219 1156 1 3 . 1 1 32 32 ARG C C 23 173.863 173.863 176.120 -2.257 18219 1157 1 3 . 1 1 32 32 ARG CA C 23 55.800 55.800 57.847 -2.047 18219 1158 1 3 . 1 1 32 32 ARG CB C 23 30.245 30.245 30.908 -0.663 18219 1159 1 3 . 1 1 32 32 ARG H H 23 8.175 8.175 8.530 -0.355 18219 1160 1 3 . 1 1 33 33 GLY N N 24 109.528 109.528 103.710 5.818 18219 1161 1 3 . 1 1 33 33 GLY C C 24 171.752 171.752 172.836 -1.084 18219 1162 1 3 . 1 1 33 33 GLY CA C 24 44.900 44.900 44.981 -0.081 18219 1163 1 3 . 1 1 33 33 GLY H H 24 8.264 8.264 8.149 0.115 18219 1164 1 3 . 1 1 34 34 GLY N N 25 108.563 108.563 109.485 -0.922 18219 1165 1 3 . 1 1 34 34 GLY C C 25 171.701 171.701 174.107 -2.406 18219 1166 1 3 . 1 1 34 34 GLY CA C 25 44.600 44.600 44.384 0.216 18219 1167 1 3 . 1 1 34 34 GLY H H 25 8.208 8.208 7.612 0.596 18219 1168 1 3 . 1 1 35 35 VAL N N 26 121.164 121.164 121.786 -0.622 18219 1169 1 3 . 1 1 35 35 VAL HA H 26 4.010 4.010 4.003 0.007 18219 1170 1 3 . 1 1 35 35 VAL C C 26 175.888 175.888 176.001 -0.113 18219 1171 1 3 . 1 1 35 35 VAL CA C 26 63.900 63.900 65.148 -1.248 18219 1172 1 3 . 1 1 35 35 VAL CB C 26 30.690 30.690 31.017 -0.327 18219 1173 1 3 . 1 1 35 35 VAL H H 26 8.485 8.485 8.161 0.324 18219 1174 1 3 . 1 1 36 36 PRO C C 27 177.660 177.660 175.825 1.835 18219 1175 1 3 . 1 1 36 36 PRO CA C 27 61.847 61.847 63.093 -1.246 18219 1176 1 3 . 1 1 37 37 SER N N 28 116.023 116.023 116.168 -0.145 18219 1177 1 3 . 1 1 37 37 SER HA H 28 4.280 4.280 4.467 -0.187 18219 1178 1 3 . 1 1 37 37 SER CA C 28 61.100 61.100 58.881 2.219 18219 1179 1 3 . 1 1 37 37 SER H H 28 7.948 7.948 8.098 -0.150 18219 1180 1 3 . 1 1 38 38 LEU N N 29 124.029 124.029 122.603 1.426 18219 1181 1 3 . 1 1 38 38 LEU HA H 29 4.170 4.170 3.929 0.241 18219 1182 1 3 . 1 1 38 38 LEU C C 29 176.132 176.132 178.488 -2.356 18219 1183 1 3 . 1 1 38 38 LEU CA C 29 57.500 57.500 58.055 -0.555 18219 1184 1 3 . 1 1 38 38 LEU CB C 29 42.038 42.038 40.991 1.047 18219 1185 1 3 . 1 1 38 38 LEU H H 29 8.201 8.201 7.926 0.275 18219 1186 1 3 . 1 1 39 39 ILE N N 30 117.098 117.098 119.347 -2.249 18219 1187 1 3 . 1 1 39 39 ILE HA H 30 4.370 4.370 3.683 0.687 18219 1188 1 3 . 1 1 39 39 ILE C C 30 176.478 176.478 177.250 -0.772 18219 1189 1 3 . 1 1 39 39 ILE CA C 30 63.079 63.079 63.463 -0.384 18219 1190 1 3 . 1 1 39 39 ILE CB C 30 36.973 36.973 37.240 -0.267 18219 1191 1 3 . 1 1 39 39 ILE H H 30 7.662 7.662 8.142 -0.480 18219 1192 1 3 . 1 1 40 40 ALA N N 31 122.447 122.447 121.692 0.755 18219 1193 1 3 . 1 1 40 40 ALA HA H 31 4.034 4.034 3.988 0.046 18219 1194 1 3 . 1 1 40 40 ALA C C 31 177.067 177.067 179.769 -2.702 18219 1195 1 3 . 1 1 40 40 ALA CA C 31 55.962 55.962 55.554 0.408 18219 1196 1 3 . 1 1 40 40 ALA CB C 31 17.856 17.856 17.721 0.135 18219 1197 1 3 . 1 1 40 40 ALA H H 31 8.096 8.096 8.112 -0.016 18219 1198 1 3 . 1 1 41 41 GLY N N 32 104.056 104.056 107.539 -3.483 18219 1199 1 3 . 1 1 41 41 GLY C C 32 174.251 174.251 175.879 -1.628 18219 1200 1 3 . 1 1 41 41 GLY CA C 32 46.500 46.500 46.820 -0.320 18219 1201 1 3 . 1 1 41 41 GLY H H 32 8.123 8.123 8.122 0.001 18219 1202 1 3 . 1 1 42 42 LEU N N 33 123.250 123.250 122.921 0.329 18219 1203 1 3 . 1 1 42 42 LEU HA H 33 3.857 3.857 3.942 -0.085 18219 1204 1 3 . 1 1 42 42 LEU C C 33 176.033 176.033 178.441 -2.408 18219 1205 1 3 . 1 1 42 42 LEU CA C 33 56.668 56.668 57.999 -1.331 18219 1206 1 3 . 1 1 42 42 LEU CB C 33 41.721 41.721 42.047 -0.326 18219 1207 1 3 . 1 1 42 42 LEU H H 33 7.914 7.914 8.368 -0.455 18219 1208 1 3 . 1 1 43 43 PHE N N 34 119.757 119.757 119.234 0.523 18219 1209 1 3 . 1 1 43 43 PHE HA H 34 4.200 4.200 4.045 0.155 18219 1210 1 3 . 1 1 43 43 PHE C C 34 174.374 174.374 177.387 -3.013 18219 1211 1 3 . 1 1 43 43 PHE CA C 34 59.876 59.876 62.161 -2.285 18219 1212 1 3 . 1 1 43 43 PHE CB C 34 38.834 38.834 38.826 0.008 18219 1213 1 3 . 1 1 43 43 PHE H H 34 8.287 8.287 8.484 -0.197 18219 1214 1 3 . 1 1 44 44 VAL N N 35 117.791 117.791 118.550 -0.759 18219 1215 1 3 . 1 1 44 44 VAL HA H 35 3.610 3.610 3.586 0.024 18219 1216 1 3 . 1 1 44 44 VAL C C 35 176.205 176.205 178.425 -2.220 18219 1217 1 3 . 1 1 44 44 VAL CA C 35 64.559 64.559 66.040 -1.481 18219 1218 1 3 . 1 1 44 44 VAL CB C 35 31.432 31.432 30.689 0.742 18219 1219 1 3 . 1 1 44 44 VAL H H 35 8.235 8.235 8.487 -0.252 18219 1220 1 3 . 1 1 45 45 GLY N N 36 108.551 108.551 106.792 1.759 18219 1221 1 3 . 1 1 45 45 GLY C C 36 173.749 173.749 175.962 -2.213 18219 1222 1 3 . 1 1 45 45 GLY CA C 36 46.083 46.083 47.100 -1.017 18219 1223 1 3 . 1 1 45 45 GLY H H 36 8.178 8.178 8.461 -0.283 18219 1224 1 3 . 1 1 46 46 CYS N N 37 121.173 121.173 122.373 -1.200 18219 1225 1 3 . 1 1 46 46 CYS HA H 37 4.180 4.180 4.095 0.085 18219 1226 1 3 . 1 1 46 46 CYS C C 37 173.710 173.710 176.665 -2.955 18219 1227 1 3 . 1 1 46 46 CYS CA C 37 63.000 63.000 63.986 -0.987 18219 1228 1 3 . 1 1 46 46 CYS CB C 37 60.283 60.283 27.305 32.978 18219 1229 1 3 . 1 1 46 46 CYS H H 37 8.253 8.253 8.121 0.132 18219 1230 1 3 . 1 1 47 47 LEU N N 38 120.283 120.283 119.571 0.712 18219 1231 1 3 . 1 1 47 47 LEU HA H 38 4.060 4.060 3.850 0.210 18219 1232 1 3 . 1 1 47 47 LEU C C 38 176.679 176.679 178.908 -2.229 18219 1233 1 3 . 1 1 47 47 LEU CA C 38 56.027 56.027 57.579 -1.552 18219 1234 1 3 . 1 1 47 47 LEU CB C 38 41.464 41.464 41.048 0.416 18219 1235 1 3 . 1 1 47 47 LEU H H 38 7.965 7.965 8.259 -0.294 18219 1236 1 3 . 1 1 48 48 ALA N N 39 122.249 122.249 121.834 0.415 18219 1237 1 3 . 1 1 48 48 ALA HA H 39 4.142 4.142 3.960 0.182 18219 1238 1 3 . 1 1 48 48 ALA C C 39 177.915 177.915 179.692 -1.777 18219 1239 1 3 . 1 1 48 48 ALA CA C 39 53.717 53.717 55.029 -1.312 18219 1240 1 3 . 1 1 48 48 ALA CB C 39 17.985 17.985 18.154 -0.168 18219 1241 1 3 . 1 1 48 48 ALA H H 39 8.066 8.066 8.201 -0.135 18219 1242 1 3 . 1 1 49 49 GLY N N 40 107.377 107.377 107.215 0.162 18219 1243 1 3 . 1 1 49 49 GLY C C 40 172.527 172.527 175.470 -2.943 18219 1244 1 3 . 1 1 49 49 GLY CA C 40 45.450 45.450 46.512 -1.062 18219 1245 1 3 . 1 1 49 49 GLY H H 40 8.172 8.172 8.369 -0.197 18219 1246 1 3 . 1 1 50 50 TYR N N 41 122.409 122.409 123.362 -0.953 18219 1247 1 3 . 1 1 50 50 TYR HA H 41 3.799 3.799 3.603 0.196 18219 1248 1 3 . 1 1 50 50 TYR C C 41 174.208 174.208 176.850 -2.642 18219 1249 1 3 . 1 1 50 50 TYR CA C 41 59.245 59.245 60.750 -1.505 18219 1250 1 3 . 1 1 50 50 TYR CB C 41 37.936 37.936 38.358 -0.422 18219 1251 1 3 . 1 1 50 50 TYR H H 41 7.800 7.800 8.431 -0.631 18219 1252 1 3 . 1 1 51 51 GLY N N 42 106.935 106.935 104.504 2.431 18219 1253 1 3 . 1 1 51 51 GLY C C 42 172.642 172.642 174.944 -2.302 18219 1254 1 3 . 1 1 51 51 GLY CA C 42 46.265 46.265 45.380 0.885 18219 1255 1 3 . 1 1 51 51 GLY H H 42 8.199 8.199 7.968 0.231 18219 1256 1 3 . 1 1 52 52 ALA N N 43 123.018 123.018 124.209 -1.191 18219 1257 1 3 . 1 1 52 52 ALA HA H 43 4.150 4.150 4.163 -0.013 18219 1258 1 3 . 1 1 52 52 ALA C C 43 176.398 176.398 179.483 -3.085 18219 1259 1 3 . 1 1 52 52 ALA CA C 43 52.883 52.883 53.173 -0.290 18219 1260 1 3 . 1 1 52 52 ALA CB C 43 18.241 18.241 18.236 0.005 18219 1261 1 3 . 1 1 52 52 ALA H H 43 7.758 7.758 7.984 -0.226 18219 1262 1 3 . 1 1 53 53 TYR N N 44 119.664 119.664 120.904 -1.240 18219 1263 1 3 . 1 1 53 53 TYR HA H 44 4.318 4.318 4.062 0.256 18219 1264 1 3 . 1 1 53 53 TYR C C 44 174.180 174.180 177.224 -3.044 18219 1265 1 3 . 1 1 53 53 TYR CA C 44 58.593 58.593 61.469 -2.876 18219 1266 1 3 . 1 1 53 53 TYR CB C 44 38.192 38.192 38.277 -0.085 18219 1267 1 3 . 1 1 53 53 TYR H H 44 7.920 7.920 8.398 -0.478 18219 1268 1 3 . 1 1 54 54 ARG N N 45 119.516 119.516 115.982 3.534 18219 1269 1 3 . 1 1 54 54 ARG HA H 45 3.930 3.930 4.385 -0.455 18219 1270 1 3 . 1 1 54 54 ARG C C 45 174.423 174.423 176.323 -1.900 18219 1271 1 3 . 1 1 54 54 ARG CA C 45 56.027 56.027 56.091 -0.064 18219 1272 1 3 . 1 1 54 54 ARG CB C 45 30.173 30.173 31.134 -0.961 18219 1273 1 3 . 1 1 54 54 ARG H H 45 7.956 7.956 8.285 -0.329 18219 1274 1 3 . 1 1 55 55 VAL N N 46 116.437 116.437 120.051 -3.614 18219 1275 1 3 . 1 1 55 55 VAL HA H 46 4.060 4.060 4.190 -0.130 18219 1276 1 3 . 1 1 55 55 VAL C C 46 173.806 173.806 175.175 -1.369 18219 1277 1 3 . 1 1 55 55 VAL CA C 46 62.300 62.300 62.497 -0.197 18219 1278 1 3 . 1 1 55 55 VAL CB C 46 31.521 31.521 32.549 -1.028 18219 1279 1 3 . 1 1 55 55 VAL H H 46 7.489 7.489 7.632 -0.143 18219 1280 1 3 . 1 1 56 56 SER N N 47 117.185 117.185 114.696 2.489 18219 1281 1 3 . 1 1 56 56 SER HA H 47 4.401 4.401 4.385 0.016 18219 1282 1 3 . 1 1 56 56 SER C C 47 172.074 172.074 174.217 -2.143 18219 1283 1 3 . 1 1 56 56 SER CA C 47 58.133 58.133 59.597 -1.464 18219 1284 1 3 . 1 1 56 56 SER CB C 47 63.468 63.468 63.834 -0.366 18219 1285 1 3 . 1 1 56 56 SER H H 47 7.728 7.728 7.464 0.264 18219 1286 1 3 . 1 1 57 57 ASN N N 48 121.049 121.049 122.613 -1.564 18219 1287 1 3 . 1 1 57 57 ASN HA H 48 4.590 4.590 4.818 -0.228 18219 1288 1 3 . 1 1 57 57 ASN CA C 48 53.600 53.600 54.113 -0.513 18219 1289 1 3 . 1 1 57 57 ASN CB C 48 38.641 38.641 38.548 0.092 18219 1290 1 3 . 1 1 57 57 ASN H H 48 8.228 8.228 8.530 -0.302 18219 1291 1 3 . 1 1 58 58 ASP N N 49 120.276 120.276 120.680 -0.404 18219 1292 1 3 . 1 1 58 58 ASP HA H 49 4.530 4.530 4.756 -0.226 18219 1293 1 3 . 1 1 58 58 ASP CA C 49 54.202 54.202 53.846 0.356 18219 1294 1 3 . 1 1 58 58 ASP CB C 49 40.374 40.374 41.894 -1.520 18219 1295 1 3 . 1 1 58 58 ASP H H 49 8.192 8.192 8.460 -0.268 18219 1296 1 3 . 1 1 59 59 LYS N N 50 120.660 120.660 120.016 0.644 18219 1297 1 3 . 1 1 59 59 LYS HA H 50 4.200 4.200 4.420 -0.220 18219 1298 1 3 . 1 1 59 59 LYS C C 50 173.474 173.474 176.762 -3.288 18219 1299 1 3 . 1 1 59 59 LYS CA C 50 56.300 56.300 55.652 0.648 18219 1300 1 3 . 1 1 59 59 LYS CB C 50 32.034 32.034 33.535 -1.501 18219 1301 1 3 . 1 1 59 59 LYS H H 50 8.003 8.003 8.040 -0.037 18219 1302 1 3 . 1 1 60 60 ARG N N 51 121.278 121.278 120.252 1.026 18219 1303 1 3 . 1 1 60 60 ARG HA H 51 4.200 4.200 4.153 0.047 18219 1304 1 3 . 1 1 60 60 ARG C C 51 173.303 173.303 175.796 -2.493 18219 1305 1 3 . 1 1 60 60 ARG CA C 51 56.283 56.283 57.090 -0.807 18219 1306 1 3 . 1 1 60 60 ARG CB C 51 30.238 30.238 30.386 -0.148 18219 1307 1 3 . 1 1 60 60 ARG H H 51 8.091 8.091 8.442 -0.351 18219 1308 1 3 . 1 1 61 61 ASP N N 52 121.185 121.185 118.571 2.614 18219 1309 1 3 . 1 1 61 61 ASP HA H 52 4.615 4.615 4.724 -0.109 18219 1310 1 3 . 1 1 61 61 ASP C C 52 173.777 173.777 177.461 -3.684 18219 1311 1 3 . 1 1 61 61 ASP CA C 52 53.979 53.979 55.625 -1.646 18219 1312 1 3 . 1 1 61 61 ASP CB C 52 40.245 40.245 41.954 -1.709 18219 1313 1 3 . 1 1 61 61 ASP H H 52 8.261 8.261 8.365 -0.104 18219 1314 1 3 . 1 1 62 62 VAL N N 53 121.902 121.902 120.655 1.247 18219 1315 1 3 . 1 1 62 62 VAL HA H 53 3.950 3.950 4.157 -0.207 18219 1316 1 3 . 1 1 62 62 VAL C C 53 173.279 173.279 177.228 -3.949 18219 1317 1 3 . 1 1 62 62 VAL CA C 53 63.176 63.176 64.210 -1.034 18219 1318 1 3 . 1 1 62 62 VAL CB C 53 32.099 32.099 31.950 0.149 18219 1319 1 3 . 1 1 62 62 VAL H H 53 7.997 7.997 8.123 -0.126 18219 1320 1 3 . 1 1 63 63 LYS N N 54 123.522 123.522 121.278 2.244 18219 1321 1 3 . 1 1 63 63 LYS HA H 54 4.260 4.260 4.194 0.066 18219 1322 1 3 . 1 1 63 63 LYS C C 54 174.481 174.481 178.661 -4.180 18219 1323 1 3 . 1 1 63 63 LYS CA C 54 56.347 56.347 59.297 -2.950 18219 1324 1 3 . 1 1 63 63 LYS CB C 54 32.099 32.099 32.402 -0.303 18219 1325 1 3 . 1 1 63 63 LYS H H 54 8.054 8.054 8.314 -0.260 18219 1326 1 3 . 1 1 64 64 VAL N N 55 120.647 120.647 118.059 2.588 18219 1327 1 3 . 1 1 64 64 VAL HA H 55 3.947 3.947 3.928 0.019 18219 1328 1 3 . 1 1 64 64 VAL C C 55 174.955 174.955 177.584 -2.629 18219 1329 1 3 . 1 1 64 64 VAL CA C 55 64.600 64.600 65.406 -0.806 18219 1330 1 3 . 1 1 64 64 VAL CB C 55 31.877 31.877 31.058 0.819 18219 1331 1 3 . 1 1 64 64 VAL H H 55 8.225 8.225 8.082 0.143 18219 1332 1 3 . 1 1 65 65 SER N N 56 117.785 117.785 116.593 1.192 18219 1333 1 3 . 1 1 65 65 SER HA H 56 4.390 4.390 4.234 0.156 18219 1334 1 3 . 1 1 65 65 SER C C 56 172.300 172.300 176.513 -4.213 18219 1335 1 3 . 1 1 65 65 SER CA C 56 60.000 60.000 61.767 -1.767 18219 1336 1 3 . 1 1 65 65 SER CB C 56 62.879 62.879 62.915 -0.036 18219 1337 1 3 . 1 1 65 65 SER H H 56 8.260 8.260 7.803 0.457 18219 1338 1 3 . 1 1 66 66 LEU N N 57 123.318 123.318 122.399 0.919 18219 1339 1 3 . 1 1 66 66 LEU HA H 57 4.090 4.090 4.118 -0.028 18219 1340 1 3 . 1 1 66 66 LEU C C 57 175.932 175.932 178.122 -2.190 18219 1341 1 3 . 1 1 66 66 LEU CA C 57 57.502 57.502 58.489 -0.987 18219 1342 1 3 . 1 1 66 66 LEU CB C 57 41.721 41.721 41.995 -0.274 18219 1343 1 3 . 1 1 66 66 LEU H H 57 8.091 8.091 8.105 -0.014 18219 1344 1 3 . 1 1 67 67 PHE N N 58 118.020 118.020 118.576 -0.556 18219 1345 1 3 . 1 1 67 67 PHE HA H 58 4.330 4.330 4.085 0.245 18219 1346 1 3 . 1 1 67 67 PHE C C 58 174.912 174.912 177.381 -2.469 18219 1347 1 3 . 1 1 67 67 PHE CA C 58 60.600 60.600 61.760 -1.160 18219 1348 1 3 . 1 1 67 67 PHE CB C 58 38.552 38.552 38.775 -0.223 18219 1349 1 3 . 1 1 67 67 PHE H H 58 8.066 8.066 8.602 -0.536 18219 1350 1 3 . 1 1 68 68 THR N N 59 115.324 115.324 116.591 -1.267 18219 1351 1 3 . 1 1 68 68 THR HA H 59 4.310 4.310 4.040 0.270 18219 1352 1 3 . 1 1 68 68 THR C C 59 173.380 173.380 176.328 -2.948 18219 1353 1 3 . 1 1 68 68 THR CA C 59 66.313 66.313 66.762 -0.449 18219 1354 1 3 . 1 1 68 68 THR CB C 59 67.700 67.700 68.383 -0.683 18219 1355 1 3 . 1 1 68 68 THR H H 59 8.287 8.287 8.247 0.040 18219 1356 1 3 . 1 1 69 69 ALA N N 60 123.621 123.621 124.423 -0.802 18219 1357 1 3 . 1 1 69 69 ALA HA H 60 4.280 4.280 4.123 0.157 18219 1358 1 3 . 1 1 69 69 ALA C C 60 176.978 176.978 179.911 -2.933 18219 1359 1 3 . 1 1 69 69 ALA CA C 60 55.100 55.100 55.118 -0.018 18219 1360 1 3 . 1 1 69 69 ALA CB C 60 17.728 17.728 18.152 -0.424 18219 1361 1 3 . 1 1 69 69 ALA H H 60 7.983 7.983 8.130 -0.147 18219 1362 1 3 . 1 1 70 70 PHE N N 61 118.520 118.520 119.190 -0.670 18219 1363 1 3 . 1 1 70 70 PHE HA H 61 4.260 4.260 4.121 0.139 18219 1364 1 3 . 1 1 70 70 PHE C C 61 175.369 175.369 177.288 -1.919 18219 1365 1 3 . 1 1 70 70 PHE CA C 61 60.179 60.179 61.789 -1.610 18219 1366 1 3 . 1 1 70 70 PHE CB C 61 38.706 38.706 38.975 -0.269 18219 1367 1 3 . 1 1 70 70 PHE H H 61 8.007 8.007 8.776 -0.769 18219 1368 1 3 . 1 1 71 71 PHE N N 62 122.314 122.314 120.043 2.271 18219 1369 1 3 . 1 1 71 71 PHE HA H 62 4.000 4.000 4.108 -0.108 18219 1370 1 3 . 1 1 71 71 PHE C C 62 174.697 174.697 177.728 -3.031 18219 1371 1 3 . 1 1 71 71 PHE CA C 62 60.517 60.517 62.532 -2.015 18219 1372 1 3 . 1 1 71 71 PHE CB C 62 38.770 38.770 39.146 -0.376 18219 1373 1 3 . 1 1 71 71 PHE H H 62 8.546 8.546 8.154 0.392 18219 1374 1 3 . 1 1 72 72 LEU N N 63 119.399 119.399 119.580 -0.181 18219 1375 1 3 . 1 1 72 72 LEU HA H 63 3.870 3.870 3.896 -0.026 18219 1376 1 3 . 1 1 72 72 LEU C C 63 175.774 175.774 178.931 -3.157 18219 1377 1 3 . 1 1 72 72 LEU CA C 63 56.925 56.925 58.168 -1.243 18219 1378 1 3 . 1 1 72 72 LEU CB C 63 41.207 41.207 40.981 0.226 18219 1379 1 3 . 1 1 72 72 LEU H H 63 8.396 8.396 8.772 -0.376 18219 1380 1 3 . 1 1 73 73 ALA N N 64 120.221 120.221 120.522 -0.301 18219 1381 1 3 . 1 1 73 73 ALA HA H 64 3.960 3.960 3.895 0.065 18219 1382 1 3 . 1 1 73 73 ALA C C 64 177.267 177.267 179.683 -2.416 18219 1383 1 3 . 1 1 73 73 ALA CA C 64 54.600 54.600 55.291 -0.691 18219 1384 1 3 . 1 1 73 73 ALA CB C 64 17.784 17.784 18.089 -0.305 18219 1385 1 3 . 1 1 73 73 ALA H H 64 8.025 8.025 8.126 -0.101 18219 1386 1 3 . 1 1 74 74 THR N N 65 113.648 113.648 114.407 -0.759 18219 1387 1 3 . 1 1 74 74 THR HA H 65 3.980 3.980 3.898 0.082 18219 1388 1 3 . 1 1 74 74 THR CA C 65 66.291 66.291 66.299 -0.008 18219 1389 1 3 . 1 1 74 74 THR CB C 65 67.914 67.914 68.743 -0.829 18219 1390 1 3 . 1 1 74 74 THR H H 65 7.717 7.717 8.122 -0.405 18219 1391 1 3 . 1 1 75 75 ILE N N 66 120.291 120.291 120.304 -0.013 18219 1392 1 3 . 1 1 75 75 ILE HA H 66 3.740 3.740 3.888 -0.148 18219 1393 1 3 . 1 1 75 75 ILE C C 66 174.951 174.951 177.164 -2.213 18219 1394 1 3 . 1 1 75 75 ILE CA C 66 64.880 64.880 62.260 2.620 18219 1395 1 3 . 1 1 75 75 ILE CB C 66 37.166 37.166 37.605 -0.439 18219 1396 1 3 . 1 1 75 75 ILE H H 66 7.738 7.738 7.848 -0.110 18219 1397 1 3 . 1 1 76 76 MET N N 67 117.618 117.618 116.905 0.713 18219 1398 1 3 . 1 1 76 76 MET HA H 67 4.220 4.220 4.143 0.077 18219 1399 1 3 . 1 1 76 76 MET C C 67 175.142 175.142 177.321 -2.179 18219 1400 1 3 . 1 1 76 76 MET CA C 67 56.723 56.723 58.245 -1.522 18219 1401 1 3 . 1 1 76 76 MET CB C 67 31.951 31.951 33.511 -1.560 18219 1402 1 3 . 1 1 76 76 MET H H 67 7.823 7.823 8.604 -0.781 18219 1403 1 3 . 1 1 77 77 GLY N N 68 107.110 107.110 102.414 4.696 18219 1404 1 3 . 1 1 77 77 GLY C C 68 172.260 172.260 174.052 -1.792 18219 1405 1 3 . 1 1 77 77 GLY CA C 68 45.800 45.800 44.313 1.487 18219 1406 1 3 . 1 1 77 77 GLY H H 68 7.937 7.937 8.170 -0.233 18219 1407 1 3 . 1 1 78 78 VAL N N 69 120.431 120.431 118.098 2.333 18219 1408 1 3 . 1 1 78 78 VAL HA H 69 4.220 4.220 3.816 0.404 18219 1409 1 3 . 1 1 78 78 VAL CA C 69 63.900 63.900 63.903 -0.003 18219 1410 1 3 . 1 1 78 78 VAL CB C 69 31.506 31.506 31.820 -0.314 18219 1411 1 3 . 1 1 78 78 VAL H H 69 7.697 7.697 7.592 0.105 18219 1412 1 3 . 1 1 79 79 ARG N N 70 121.420 121.420 118.510 2.910 18219 1413 1 3 . 1 1 79 79 ARG HA H 70 3.810 3.810 4.177 -0.367 18219 1414 1 3 . 1 1 79 79 ARG CA C 70 56.400 56.400 55.957 0.443 18219 1415 1 3 . 1 1 79 79 ARG CB C 70 30.097 30.097 30.733 -0.636 18219 1416 1 3 . 1 1 79 79 ARG H H 70 7.889 7.889 7.637 0.252 18219 1417 1 3 . 1 1 80 80 PHE N N 71 119.949 119.949 121.536 -1.587 18219 1418 1 3 . 1 1 80 80 PHE HA H 71 4.510 4.510 4.301 0.209 18219 1419 1 3 . 1 1 80 80 PHE CA C 71 58.600 58.600 59.813 -1.213 18219 1420 1 3 . 1 1 80 80 PHE CB C 71 39.145 39.145 39.117 0.028 18219 1421 1 3 . 1 1 80 80 PHE H H 71 8.101 8.101 8.599 -0.498 18219 1422 1 3 . 1 1 81 81 LYS N N 72 122.193 122.193 125.893 -3.700 18219 1423 1 3 . 1 1 81 81 LYS CA C 72 56.800 56.800 56.485 0.315 18219 1424 1 3 . 1 1 81 81 LYS CB C 72 32.322 32.322 33.413 -1.091 18219 1425 1 3 . 1 1 81 81 LYS H H 72 8.090 8.090 8.266 -0.176 18219 1426 1 3 . 1 1 82 82 ARG N N 73 119.650 119.650 116.574 3.076 18219 1427 1 3 . 1 1 82 82 ARG CA C 73 56.089 56.089 57.018 -0.929 18219 1428 1 3 . 1 1 82 82 ARG CB C 73 30.171 30.171 31.754 -1.583 18219 1429 1 3 . 1 1 82 82 ARG H H 73 8.052 8.052 8.147 -0.095 18219 1430 1 3 . 1 1 83 83 SER N N 74 115.734 115.734 111.892 3.842 18219 1431 1 3 . 1 1 83 83 SER CA C 74 58.355 58.355 58.317 0.038 18219 1432 1 3 . 1 1 83 83 SER CB C 74 63.404 63.404 63.785 -0.381 18219 1433 1 3 . 1 1 83 83 SER H H 74 7.912 7.912 7.631 0.281 18219 1434 1 3 . 1 1 84 84 LYS N N 75 122.370 122.370 125.696 -3.326 18219 1435 1 3 . 1 1 84 84 LYS CA C 75 56.135 56.135 55.964 0.171 18219 1436 1 3 . 1 1 84 84 LYS CB C 75 32.175 32.175 31.650 0.525 18219 1437 1 3 . 1 1 84 84 LYS H H 75 8.067 8.067 8.332 -0.265 18219 1438 1 3 . 1 1 86 86 ILE N N 77 119.592 119.592 119.247 0.345 18219 1439 1 3 . 1 1 86 86 ILE HA H 77 3.810 3.810 4.126 -0.316 18219 1440 1 3 . 1 1 86 86 ILE CA C 77 64.900 64.900 61.126 3.774 18219 1441 1 3 . 1 1 86 86 ILE CB C 77 39.145 39.145 39.029 0.117 18219 1442 1 3 . 1 1 86 86 ILE H H 77 7.837 7.837 8.052 -0.215 18219 1443 1 3 . 1 1 87 87 MET N N 78 121.645 121.645 119.461 2.184 18219 1444 1 3 . 1 1 87 87 MET CA C 78 52.982 52.982 60.940 -7.958 18219 1445 1 3 . 1 1 87 87 MET CB C 78 32.173 32.173 31.199 0.974 18219 1446 1 3 . 1 1 87 87 MET H H 78 7.950 7.950 7.523 0.427 18219 1447 1 3 . 1 1 88 88 PRO HA H 79 4.140 4.140 4.527 -0.387 18219 1448 1 3 . 1 1 88 88 PRO C C 79 173.921 173.921 175.837 -1.916 18219 1449 1 3 . 1 1 88 88 PRO CA C 79 62.800 62.800 62.589 0.211 18219 1450 1 3 . 1 1 88 88 PRO CB C 79 31.136 31.136 29.417 1.719 18219 1451 1 3 . 1 1 89 89 ALA N N 80 124.431 124.431 123.637 0.794 18219 1452 1 3 . 1 1 89 89 ALA HA H 80 4.400 4.400 4.213 0.187 18219 1453 1 3 . 1 1 89 89 ALA C C 80 176.234 176.234 178.699 -2.465 18219 1454 1 3 . 1 1 89 89 ALA CA C 80 53.300 53.300 54.629 -1.329 18219 1455 1 3 . 1 1 89 89 ALA CB C 80 18.498 18.498 19.386 -0.888 18219 1456 1 3 . 1 1 89 89 ALA H H 80 8.320 8.320 8.390 -0.070 18219 1457 1 3 . 1 1 90 90 GLY N N 81 106.834 106.834 106.980 -0.146 18219 1458 1 3 . 1 1 90 90 GLY C C 81 172.398 172.398 175.456 -3.058 18219 1459 1 3 . 1 1 90 90 GLY CA C 81 45.600 45.600 46.891 -1.290 18219 1460 1 3 . 1 1 90 90 GLY H H 81 8.458 8.458 8.357 0.101 18219 1461 1 3 . 1 1 91 91 LEU N N 82 121.043 121.043 120.941 0.102 18219 1462 1 3 . 1 1 91 91 LEU HA H 82 4.200 4.200 4.084 0.116 18219 1463 1 3 . 1 1 91 91 LEU C C 82 174.783 174.783 178.857 -4.074 18219 1464 1 3 . 1 1 91 91 LEU CA C 82 56.300 56.300 57.551 -1.252 18219 1465 1 3 . 1 1 91 91 LEU CB C 82 42.106 42.106 41.311 0.795 18219 1466 1 3 . 1 1 91 91 LEU H H 82 7.687 7.687 7.546 0.141 18219 1467 1 3 . 1 1 92 92 VAL N N 83 114.737 114.737 118.940 -4.203 18219 1468 1 3 . 1 1 92 92 VAL HA H 83 3.980 3.980 3.597 0.383 18219 1469 1 3 . 1 1 92 92 VAL C C 83 173.634 173.634 177.775 -4.141 18219 1470 1 3 . 1 1 92 92 VAL CA C 83 62.400 62.400 67.226 -4.826 18219 1471 1 3 . 1 1 92 92 VAL CB C 83 31.585 31.585 31.436 0.148 18219 1472 1 3 . 1 1 92 92 VAL H H 83 7.602 7.602 7.759 -0.157 18219 1473 1 3 . 1 1 93 93 ALA N N 84 124.320 124.320 120.994 3.326 18219 1474 1 3 . 1 1 93 93 ALA HA H 84 4.150 4.150 3.989 0.161 18219 1475 1 3 . 1 1 93 93 ALA C C 84 175.746 175.746 179.823 -4.077 18219 1476 1 3 . 1 1 93 93 ALA CA C 84 53.300 53.300 55.384 -2.084 18219 1477 1 3 . 1 1 93 93 ALA CB C 84 18.241 18.241 17.862 0.379 18219 1478 1 3 . 1 1 93 93 ALA H H 84 7.891 7.891 8.270 -0.379 18219 1479 1 3 . 1 1 94 94 GLY N N 85 106.807 106.807 107.298 -0.491 18219 1480 1 3 . 1 1 94 94 GLY C C 85 171.752 171.752 175.838 -4.086 18219 1481 1 3 . 1 1 94 94 GLY CA C 85 45.249 45.249 46.529 -1.280 18219 1482 1 3 . 1 1 94 94 GLY H H 85 8.204 8.204 7.857 0.347 18219 1483 1 3 . 1 1 95 95 LEU N N 86 121.266 121.266 122.624 -1.358 18219 1484 1 3 . 1 1 95 95 LEU HA H 86 4.380 4.380 4.095 0.285 18219 1485 1 3 . 1 1 95 95 LEU C C 86 173.702 173.702 179.209 -5.507 18219 1486 1 3 . 1 1 95 95 LEU CA C 86 55.000 55.000 57.616 -2.616 18219 1487 1 3 . 1 1 95 95 LEU CB C 86 42.298 42.298 41.232 1.066 18219 1488 1 3 . 1 1 95 95 LEU H H 86 7.718 7.718 8.035 -0.317 18219 1489 1 3 . 1 1 96 96 SER N N 87 115.658 115.658 115.708 -0.050 18219 1490 1 3 . 1 1 96 96 SER HA H 87 4.370 4.370 4.197 0.173 18219 1491 1 3 . 1 1 96 96 SER C C 87 172.479 172.479 176.867 -4.388 18219 1492 1 3 . 1 1 96 96 SER CA C 87 57.200 57.200 61.737 -4.537 18219 1493 1 3 . 1 1 96 96 SER CB C 87 64.174 64.174 62.769 1.405 18219 1494 1 3 . 1 1 96 96 SER H H 87 7.659 7.659 8.126 -0.467 18219 1495 1 3 . 1 1 97 97 LEU N N 88 123.720 123.720 122.851 0.869 18219 1496 1 3 . 1 1 97 97 LEU HA H 88 4.600 4.600 3.986 0.614 18219 1497 1 3 . 1 1 97 97 LEU C C 88 175.932 175.932 178.925 -2.993 18219 1498 1 3 . 1 1 97 97 LEU CA C 88 57.600 57.600 58.154 -0.554 18219 1499 1 3 . 1 1 97 97 LEU CB C 88 41.400 41.400 42.024 -0.624 18219 1500 1 3 . 1 1 97 97 LEU H H 88 8.733 8.733 8.080 0.653 18219 1501 1 3 . 1 1 98 98 MET N N 89 116.684 116.684 119.310 -2.626 18219 1502 1 3 . 1 1 98 98 MET HA H 89 4.280 4.280 4.174 0.106 18219 1503 1 3 . 1 1 98 98 MET C C 89 175.789 175.789 177.970 -2.181 18219 1504 1 3 . 1 1 98 98 MET CA C 89 56.915 56.915 58.840 -1.925 18219 1505 1 3 . 1 1 98 98 MET CB C 89 31.007 31.007 32.765 -1.758 18219 1506 1 3 . 1 1 98 98 MET H H 89 8.342 8.342 8.340 0.002 18219 1507 1 3 . 1 1 99 99 MET N N 90 119.182 119.182 118.032 1.150 18219 1508 1 3 . 1 1 99 99 MET HA H 90 4.110 4.110 4.219 -0.109 18219 1509 1 3 . 1 1 99 99 MET C C 90 175.588 175.588 178.621 -3.033 18219 1510 1 3 . 1 1 99 99 MET CA C 90 57.951 57.951 58.613 -0.662 18219 1511 1 3 . 1 1 99 99 MET CB C 90 32.226 32.226 31.997 0.229 18219 1512 1 3 . 1 1 99 99 MET H H 90 7.720 7.720 8.137 -0.417 18219 1513 1 3 . 1 1 100 100 ILE N N 91 119.077 119.077 120.513 -1.436 18219 1514 1 3 . 1 1 100 100 ILE HA H 91 4.110 4.110 4.015 0.095 18219 1515 1 3 . 1 1 100 100 ILE C C 91 174.634 174.634 176.764 -2.130 18219 1516 1 3 . 1 1 100 100 ILE CA C 91 64.100 64.100 64.488 -0.388 18219 1517 1 3 . 1 1 100 100 ILE CB C 91 37.143 37.143 38.960 -1.817 18219 1518 1 3 . 1 1 100 100 ILE H H 91 7.662 7.662 8.103 -0.441 18219 1519 1 3 . 1 1 101 101 LEU N N 92 119.646 119.646 119.354 0.292 18219 1520 1 3 . 1 1 101 101 LEU HA H 92 4.530 4.530 4.149 0.381 18219 1521 1 3 . 1 1 101 101 LEU C C 92 175.430 175.430 177.964 -2.534 18219 1522 1 3 . 1 1 101 101 LEU CA C 92 57.800 57.800 57.523 0.277 18219 1523 1 3 . 1 1 101 101 LEU CB C 92 40.758 40.758 41.375 -0.617 18219 1524 1 3 . 1 1 101 101 LEU H H 92 8.142 8.142 7.718 0.424 18219 1525 1 3 . 1 1 102 102 ARG N N 93 116.394 116.394 118.364 -1.970 18219 1526 1 3 . 1 1 102 102 ARG HA H 93 4.140 4.140 4.409 -0.269 18219 1527 1 3 . 1 1 102 102 ARG C C 93 175.961 175.961 178.000 -2.039 18219 1528 1 3 . 1 1 102 102 ARG CA C 93 59.100 59.100 58.434 0.666 18219 1529 1 3 . 1 1 102 102 ARG CB C 93 29.404 29.404 31.464 -2.060 18219 1530 1 3 . 1 1 102 102 ARG H H 93 7.893 7.893 8.149 -0.256 18219 1531 1 3 . 1 1 103 103 LEU N N 94 119.114 119.114 122.316 -3.202 18219 1532 1 3 . 1 1 103 103 LEU HA H 94 4.110 4.110 4.103 0.007 18219 1533 1 3 . 1 1 103 103 LEU C C 94 175.889 175.889 178.173 -2.284 18219 1534 1 3 . 1 1 103 103 LEU CA C 94 57.300 57.300 57.826 -0.526 18219 1535 1 3 . 1 1 103 103 LEU CB C 94 41.296 41.296 41.869 -0.573 18219 1536 1 3 . 1 1 103 103 LEU H H 94 7.622 7.622 7.757 -0.135 18219 1537 1 3 . 1 1 104 104 VAL N N 95 117.704 117.704 119.728 -2.024 18219 1538 1 3 . 1 1 104 104 VAL HA H 95 3.530 3.530 3.694 -0.164 18219 1539 1 3 . 1 1 104 104 VAL C C 95 175.042 175.042 177.298 -2.256 18219 1540 1 3 . 1 1 104 104 VAL CA C 95 66.419 66.419 65.947 0.472 18219 1541 1 3 . 1 1 104 104 VAL CB C 95 31.357 31.357 32.104 -0.747 18219 1542 1 3 . 1 1 104 104 VAL H H 95 8.026 8.026 8.029 -0.003 18219 1543 1 3 . 1 1 105 105 LEU N N 96 117.185 117.185 114.801 2.384 18219 1544 1 3 . 1 1 105 105 LEU HA H 96 3.980 3.980 4.503 -0.523 18219 1545 1 3 . 1 1 105 105 LEU C C 96 176.579 176.579 177.466 -0.887 18219 1546 1 3 . 1 1 105 105 LEU CA C 96 56.800 56.800 55.510 1.290 18219 1547 1 3 . 1 1 105 105 LEU CB C 96 40.951 40.951 42.857 -1.906 18219 1548 1 3 . 1 1 105 105 LEU H H 96 7.893 7.893 7.509 0.384 18219 1549 1 3 . 1 1 106 106 LEU N N 97 118.471 118.471 118.037 0.434 18219 1550 1 3 . 1 1 106 106 LEU HA H 97 4.180 4.180 3.952 0.228 18219 1551 1 3 . 1 1 106 106 LEU C C 97 175.802 175.802 176.720 -0.918 18219 1552 1 3 . 1 1 106 106 LEU CA C 97 56.300 56.300 56.203 0.097 18219 1553 1 3 . 1 1 106 106 LEU CB C 97 41.592 41.592 40.924 0.668 18219 1554 1 3 . 1 1 106 106 LEU H H 97 7.545 7.545 8.115 -0.570 18219 1555 1 3 . 1 1 107 107 LEU N N 98 118.162 118.162 115.597 2.565 18219 1556 1 3 . 1 1 107 107 LEU HA H 98 4.230 4.230 4.417 -0.187 18219 1557 1 3 . 1 1 107 107 LEU C C 98 174.174 174.174 176.492 -2.318 18219 1558 1 3 . 1 1 107 107 LEU CA C 98 56.283 56.283 55.092 1.191 18219 1559 1 3 . 1 1 107 107 LEU CB C 98 42.362 42.362 42.519 -0.157 18219 1560 1 3 . 1 1 107 107 LEU H H 98 7.688 7.688 7.777 -0.089 18219 1561 1 4 . 1 1 11 11 ASP N N 2 120.536 120.536 121.364 -0.828 18219 1562 1 4 . 1 1 11 11 ASP CA C 2 55.918 55.918 53.505 2.413 18219 1563 1 4 . 1 1 11 11 ASP CB C 2 37.959 37.959 43.156 -5.197 18219 1564 1 4 . 1 1 11 11 ASP H H 2 7.863 7.863 8.090 -0.227 18219 1565 1 4 . 1 1 12 12 LEU N N 3 121.414 121.414 122.237 -0.823 18219 1566 1 4 . 1 1 12 12 LEU C C 3 176.162 176.162 178.989 -2.827 18219 1567 1 4 . 1 1 12 12 LEU CA C 3 57.600 57.600 56.748 0.852 18219 1568 1 4 . 1 1 12 12 LEU CB C 3 41.657 41.657 42.132 -0.475 18219 1569 1 4 . 1 1 12 12 LEU H H 3 8.285 8.285 8.473 -0.188 18219 1570 1 4 . 1 1 13 13 ILE N N 4 118.854 118.854 117.638 1.216 18219 1571 1 4 . 1 1 13 13 ILE HA H 4 3.740 3.740 3.752 -0.012 18219 1572 1 4 . 1 1 13 13 ILE C C 4 175.228 175.228 178.107 -2.879 18219 1573 1 4 . 1 1 13 13 ILE CA C 4 64.500 64.500 63.368 1.132 18219 1574 1 4 . 1 1 13 13 ILE CB C 4 37.102 37.102 38.244 -1.142 18219 1575 1 4 . 1 1 13 13 ILE H H 4 8.031 8.031 7.947 0.084 18219 1576 1 4 . 1 1 14 14 GLY N N 5 107.478 107.478 105.964 1.514 18219 1577 1 4 . 1 1 14 14 GLY C C 5 174.424 174.424 175.715 -1.291 18219 1578 1 4 . 1 1 14 14 GLY CA C 5 47.059 47.059 46.471 0.588 18219 1579 1 4 . 1 1 14 14 GLY H H 5 8.148 8.148 8.360 -0.212 18219 1580 1 4 . 1 1 15 15 PHE N N 6 122.774 122.774 123.961 -1.187 18219 1581 1 4 . 1 1 15 15 PHE HA H 6 4.480 4.480 4.297 0.183 18219 1582 1 4 . 1 1 15 15 PHE C C 6 175.113 175.113 176.952 -1.839 18219 1583 1 4 . 1 1 15 15 PHE CA C 6 60.017 60.017 61.773 -1.756 18219 1584 1 4 . 1 1 15 15 PHE CB C 6 38.774 38.774 38.445 0.329 18219 1585 1 4 . 1 1 15 15 PHE H H 6 8.194 8.194 7.915 0.279 18219 1586 1 4 . 1 1 16 16 GLY N N 7 107.938 107.938 106.347 1.591 18219 1587 1 4 . 1 1 16 16 GLY C C 7 171.838 171.838 175.659 -3.821 18219 1588 1 4 . 1 1 16 16 GLY CA C 7 47.100 47.100 47.449 -0.349 18219 1589 1 4 . 1 1 16 16 GLY H H 7 8.697 8.697 8.634 0.063 18219 1590 1 4 . 1 1 17 17 TYR N N 8 121.785 121.785 123.289 -1.504 18219 1591 1 4 . 1 1 17 17 TYR HA H 8 4.150 4.150 4.145 0.005 18219 1592 1 4 . 1 1 17 17 TYR C C 8 174.180 174.180 177.602 -3.422 18219 1593 1 4 . 1 1 17 17 TYR CA C 8 61.300 61.300 61.049 0.251 18219 1594 1 4 . 1 1 17 17 TYR CB C 8 37.959 37.959 38.405 -0.446 18219 1595 1 4 . 1 1 17 17 TYR H H 8 8.710 8.710 8.186 0.524 18219 1596 1 4 . 1 1 18 18 ALA N N 9 120.233 120.233 120.856 -0.623 18219 1597 1 4 . 1 1 18 18 ALA HA H 9 3.950 3.950 3.964 -0.014 18219 1598 1 4 . 1 1 18 18 ALA C C 9 178.059 178.059 178.835 -0.776 18219 1599 1 4 . 1 1 18 18 ALA CA C 9 54.872 54.872 54.491 0.381 18219 1600 1 4 . 1 1 18 18 ALA CB C 9 17.562 17.562 18.084 -0.522 18219 1601 1 4 . 1 1 18 18 ALA H H 9 7.843 7.843 8.537 -0.694 18219 1602 1 4 . 1 1 19 19 ALA N N 10 121.797 121.797 122.958 -1.161 18219 1603 1 4 . 1 1 19 19 ALA HA H 10 3.950 3.950 3.888 0.062 18219 1604 1 4 . 1 1 19 19 ALA C C 10 176.191 176.191 179.376 -3.185 18219 1605 1 4 . 1 1 19 19 ALA CA C 10 54.600 54.600 54.931 -0.331 18219 1606 1 4 . 1 1 19 19 ALA CB C 10 17.562 17.562 18.166 -0.604 18219 1607 1 4 . 1 1 19 19 ALA H H 10 8.212 8.212 8.129 0.083 18219 1608 1 4 . 1 1 20 20 LEU N N 11 119.442 119.442 117.087 2.355 18219 1609 1 4 . 1 1 20 20 LEU HA H 11 3.937 3.937 3.925 0.012 18219 1610 1 4 . 1 1 20 20 LEU C C 11 176.694 176.694 178.860 -2.166 18219 1611 1 4 . 1 1 20 20 LEU CA C 11 57.800 57.800 57.935 -0.135 18219 1612 1 4 . 1 1 20 20 LEU CB C 11 41.222 41.222 40.919 0.303 18219 1613 1 4 . 1 1 20 20 LEU H H 11 8.065 8.065 7.991 0.074 18219 1614 1 4 . 1 1 21 21 VAL N N 12 118.323 118.323 120.464 -2.141 18219 1615 1 4 . 1 1 21 21 VAL HA H 12 3.640 3.640 3.537 0.103 18219 1616 1 4 . 1 1 21 21 VAL C C 12 176.536 176.536 178.439 -1.903 18219 1617 1 4 . 1 1 21 21 VAL CA C 12 65.400 65.400 66.412 -1.012 18219 1618 1 4 . 1 1 21 21 VAL CB C 12 31.135 31.135 30.659 0.476 18219 1619 1 4 . 1 1 21 21 VAL H H 12 8.051 8.051 8.190 -0.139 18219 1620 1 4 . 1 1 22 22 THR N N 13 118.298 118.298 116.808 1.490 18219 1621 1 4 . 1 1 22 22 THR HA H 13 4.660 4.660 4.005 0.655 18219 1622 1 4 . 1 1 22 22 THR C C 13 173.734 173.734 176.568 -2.834 18219 1623 1 4 . 1 1 22 22 THR CA C 13 66.300 66.300 67.005 -0.705 18219 1624 1 4 . 1 1 22 22 THR CB C 13 67.775 67.775 68.644 -0.869 18219 1625 1 4 . 1 1 22 22 THR H H 13 7.944 7.944 8.107 -0.163 18219 1626 1 4 . 1 1 23 23 PHE N N 14 121.328 121.328 122.357 -1.029 18219 1627 1 4 . 1 1 23 23 PHE HA H 14 4.340 4.340 4.180 0.160 18219 1628 1 4 . 1 1 23 23 PHE C C 14 174.783 174.783 177.323 -2.540 18219 1629 1 4 . 1 1 23 23 PHE CA C 14 60.500 60.500 61.303 -0.803 18219 1630 1 4 . 1 1 23 23 PHE CB C 14 38.626 38.626 38.733 -0.107 18219 1631 1 4 . 1 1 23 23 PHE H H 14 8.567 8.567 8.367 0.200 18219 1632 1 4 . 1 1 24 24 GLY N N 15 106.871 106.871 105.291 1.580 18219 1633 1 4 . 1 1 24 24 GLY C C 15 172.858 172.858 176.006 -3.148 18219 1634 1 4 . 1 1 24 24 GLY CA C 15 46.900 46.900 47.303 -0.404 18219 1635 1 4 . 1 1 24 24 GLY H H 15 8.475 8.475 8.895 -0.420 18219 1636 1 4 . 1 1 25 25 SER N N 16 116.214 116.214 116.668 -0.454 18219 1637 1 4 . 1 1 25 25 SER HA H 16 4.280 4.280 4.303 -0.023 18219 1638 1 4 . 1 1 25 25 SER CA C 16 60.300 60.300 61.606 -1.306 18219 1639 1 4 . 1 1 25 25 SER CB C 16 62.879 62.879 63.189 -0.310 18219 1640 1 4 . 1 1 25 25 SER H H 16 7.963 7.963 7.860 0.103 18219 1641 1 4 . 1 1 26 26 ILE N N 17 121.024 121.024 122.191 -1.167 18219 1642 1 4 . 1 1 26 26 ILE HA H 17 3.946 3.946 3.812 0.134 18219 1643 1 4 . 1 1 26 26 ILE C C 17 173.935 173.935 178.310 -4.375 18219 1644 1 4 . 1 1 26 26 ILE CA C 17 63.100 63.100 63.403 -0.303 18219 1645 1 4 . 1 1 26 26 ILE CB C 17 38.107 38.107 37.428 0.679 18219 1646 1 4 . 1 1 26 26 ILE H H 17 7.676 7.676 8.091 -0.415 18219 1647 1 4 . 1 1 27 27 PHE N N 18 117.142 117.142 118.255 -1.113 18219 1648 1 4 . 1 1 27 27 PHE HA H 18 4.430 4.430 4.069 0.361 18219 1649 1 4 . 1 1 27 27 PHE C C 18 173.504 173.504 176.380 -2.876 18219 1650 1 4 . 1 1 27 27 PHE CA C 18 58.500 58.500 60.169 -1.669 18219 1651 1 4 . 1 1 27 27 PHE CB C 18 38.774 38.774 38.916 -0.142 18219 1652 1 4 . 1 1 27 27 PHE H H 18 7.703 7.703 8.232 -0.529 18219 1653 1 4 . 1 1 28 28 GLY N N 19 107.303 107.303 106.960 0.343 18219 1654 1 4 . 1 1 28 28 GLY C C 19 171.593 171.593 174.023 -2.430 18219 1655 1 4 . 1 1 28 28 GLY CA C 19 45.600 45.600 45.624 -0.024 18219 1656 1 4 . 1 1 28 28 GLY H H 19 7.722 7.722 7.662 0.060 18219 1657 1 4 . 1 1 29 29 TYR N N 20 119.862 119.862 115.947 3.915 18219 1658 1 4 . 1 1 29 29 TYR HA H 20 4.392 4.392 4.191 0.201 18219 1659 1 4 . 1 1 29 29 TYR C C 20 173.174 173.174 174.918 -1.744 18219 1660 1 4 . 1 1 29 29 TYR CA C 20 58.500 58.500 58.124 0.376 18219 1661 1 4 . 1 1 29 29 TYR CB C 20 38.404 38.404 38.313 0.091 18219 1662 1 4 . 1 1 29 29 TYR H H 20 7.880 7.880 7.966 -0.086 18219 1663 1 4 . 1 1 30 30 LYS N N 21 122.335 122.335 122.981 -0.646 18219 1664 1 4 . 1 1 30 30 LYS HA H 21 4.390 4.390 3.968 0.422 18219 1665 1 4 . 1 1 30 30 LYS C C 21 173.547 173.547 177.168 -3.621 18219 1666 1 4 . 1 1 30 30 LYS CA C 21 55.800 55.800 57.757 -1.956 18219 1667 1 4 . 1 1 30 30 LYS CB C 21 32.396 32.396 32.530 -0.134 18219 1668 1 4 . 1 1 30 30 LYS H H 21 7.934 7.934 8.358 -0.424 18219 1669 1 4 . 1 1 31 31 ARG N N 22 120.612 120.612 124.511 -3.899 18219 1670 1 4 . 1 1 31 31 ARG C C 22 173.547 173.547 175.636 -2.089 18219 1671 1 4 . 1 1 31 31 ARG CA C 22 55.834 55.834 56.114 -0.280 18219 1672 1 4 . 1 1 31 31 ARG CB C 22 30.101 30.101 30.334 -0.233 18219 1673 1 4 . 1 1 31 31 ARG H H 22 7.905 7.905 8.725 -0.820 18219 1674 1 4 . 1 1 32 32 ARG N N 23 121.748 121.748 120.832 0.916 18219 1675 1 4 . 1 1 32 32 ARG HA H 23 4.310 4.310 4.170 0.140 18219 1676 1 4 . 1 1 32 32 ARG C C 23 173.863 173.863 176.421 -2.558 18219 1677 1 4 . 1 1 32 32 ARG CA C 23 55.800 55.800 56.914 -1.114 18219 1678 1 4 . 1 1 32 32 ARG CB C 23 30.245 30.245 30.619 -0.374 18219 1679 1 4 . 1 1 32 32 ARG H H 23 8.175 8.175 8.131 0.044 18219 1680 1 4 . 1 1 33 33 GLY N N 24 109.528 109.528 106.804 2.724 18219 1681 1 4 . 1 1 33 33 GLY C C 24 171.752 171.752 173.094 -1.342 18219 1682 1 4 . 1 1 33 33 GLY CA C 24 44.900 44.900 44.363 0.537 18219 1683 1 4 . 1 1 33 33 GLY H H 24 8.264 8.264 8.159 0.105 18219 1684 1 4 . 1 1 34 34 GLY N N 25 108.563 108.563 112.059 -3.496 18219 1685 1 4 . 1 1 34 34 GLY C C 25 171.701 171.701 173.933 -2.232 18219 1686 1 4 . 1 1 34 34 GLY CA C 25 44.600 44.600 45.875 -1.275 18219 1687 1 4 . 1 1 34 34 GLY H H 25 8.208 8.208 7.837 0.371 18219 1688 1 4 . 1 1 35 35 VAL N N 26 121.164 121.164 121.948 -0.784 18219 1689 1 4 . 1 1 35 35 VAL HA H 26 4.010 4.010 4.082 -0.072 18219 1690 1 4 . 1 1 35 35 VAL C C 26 175.888 175.888 174.898 0.990 18219 1691 1 4 . 1 1 35 35 VAL CA C 26 63.900 63.900 64.719 -0.819 18219 1692 1 4 . 1 1 35 35 VAL CB C 26 30.690 30.690 31.195 -0.505 18219 1693 1 4 . 1 1 35 35 VAL H H 26 8.485 8.485 7.974 0.511 18219 1694 1 4 . 1 1 36 36 PRO C C 27 177.660 177.660 176.489 1.171 18219 1695 1 4 . 1 1 36 36 PRO CA C 27 61.847 61.847 63.327 -1.480 18219 1696 1 4 . 1 1 37 37 SER N N 28 116.023 116.023 119.264 -3.241 18219 1697 1 4 . 1 1 37 37 SER HA H 28 4.280 4.280 4.326 -0.046 18219 1698 1 4 . 1 1 37 37 SER CA C 28 61.100 61.100 59.679 1.421 18219 1699 1 4 . 1 1 37 37 SER H H 28 7.948 7.948 8.732 -0.784 18219 1700 1 4 . 1 1 38 38 LEU N N 29 124.029 124.029 119.948 4.081 18219 1701 1 4 . 1 1 38 38 LEU HA H 29 4.170 4.170 4.067 0.103 18219 1702 1 4 . 1 1 38 38 LEU C C 29 176.132 176.132 178.605 -2.473 18219 1703 1 4 . 1 1 38 38 LEU CA C 29 57.500 57.500 58.148 -0.648 18219 1704 1 4 . 1 1 38 38 LEU CB C 29 42.038 42.038 40.723 1.315 18219 1705 1 4 . 1 1 38 38 LEU H H 29 8.201 8.201 7.959 0.242 18219 1706 1 4 . 1 1 39 39 ILE N N 30 117.098 117.098 118.821 -1.723 18219 1707 1 4 . 1 1 39 39 ILE HA H 30 4.370 4.370 3.856 0.514 18219 1708 1 4 . 1 1 39 39 ILE C C 30 176.478 176.478 177.154 -0.676 18219 1709 1 4 . 1 1 39 39 ILE CA C 30 63.079 63.079 62.069 1.010 18219 1710 1 4 . 1 1 39 39 ILE CB C 30 36.973 36.973 37.231 -0.258 18219 1711 1 4 . 1 1 39 39 ILE H H 30 7.662 7.662 7.895 -0.233 18219 1712 1 4 . 1 1 40 40 ALA N N 31 122.447 122.447 122.353 0.094 18219 1713 1 4 . 1 1 40 40 ALA HA H 31 4.034 4.034 4.030 0.004 18219 1714 1 4 . 1 1 40 40 ALA C C 31 177.067 177.067 179.793 -2.726 18219 1715 1 4 . 1 1 40 40 ALA CA C 31 55.962 55.962 55.580 0.382 18219 1716 1 4 . 1 1 40 40 ALA CB C 31 17.856 17.856 17.821 0.035 18219 1717 1 4 . 1 1 40 40 ALA H H 31 8.096 8.096 8.101 -0.005 18219 1718 1 4 . 1 1 41 41 GLY N N 32 104.056 104.056 107.619 -3.563 18219 1719 1 4 . 1 1 41 41 GLY C C 32 174.251 174.251 175.889 -1.638 18219 1720 1 4 . 1 1 41 41 GLY CA C 32 46.500 46.500 46.866 -0.366 18219 1721 1 4 . 1 1 41 41 GLY H H 32 8.123 8.123 8.188 -0.065 18219 1722 1 4 . 1 1 42 42 LEU N N 33 123.250 123.250 122.774 0.476 18219 1723 1 4 . 1 1 42 42 LEU HA H 33 3.857 3.857 3.956 -0.099 18219 1724 1 4 . 1 1 42 42 LEU C C 33 176.033 176.033 178.427 -2.394 18219 1725 1 4 . 1 1 42 42 LEU CA C 33 56.668 56.668 58.048 -1.380 18219 1726 1 4 . 1 1 42 42 LEU CB C 33 41.721 41.721 42.068 -0.347 18219 1727 1 4 . 1 1 42 42 LEU H H 33 7.914 7.914 8.141 -0.227 18219 1728 1 4 . 1 1 43 43 PHE N N 34 119.757 119.757 119.231 0.526 18219 1729 1 4 . 1 1 43 43 PHE HA H 34 4.200 4.200 4.095 0.105 18219 1730 1 4 . 1 1 43 43 PHE C C 34 174.374 174.374 177.464 -3.090 18219 1731 1 4 . 1 1 43 43 PHE CA C 34 59.876 59.876 62.172 -2.296 18219 1732 1 4 . 1 1 43 43 PHE CB C 34 38.834 38.834 38.867 -0.033 18219 1733 1 4 . 1 1 43 43 PHE H H 34 8.287 8.287 8.367 -0.080 18219 1734 1 4 . 1 1 44 44 VAL N N 35 117.791 117.791 118.582 -0.791 18219 1735 1 4 . 1 1 44 44 VAL HA H 35 3.610 3.610 3.601 0.009 18219 1736 1 4 . 1 1 44 44 VAL C C 35 176.205 176.205 178.725 -2.520 18219 1737 1 4 . 1 1 44 44 VAL CA C 35 64.559 64.559 66.824 -2.265 18219 1738 1 4 . 1 1 44 44 VAL CB C 35 31.432 31.432 30.969 0.463 18219 1739 1 4 . 1 1 44 44 VAL H H 35 8.235 8.235 8.356 -0.121 18219 1740 1 4 . 1 1 45 45 GLY N N 36 108.551 108.551 106.896 1.655 18219 1741 1 4 . 1 1 45 45 GLY C C 36 173.749 173.749 175.807 -2.058 18219 1742 1 4 . 1 1 45 45 GLY CA C 36 46.083 46.083 47.077 -0.994 18219 1743 1 4 . 1 1 45 45 GLY H H 36 8.178 8.178 8.330 -0.152 18219 1744 1 4 . 1 1 46 46 CYS N N 37 121.173 121.173 122.542 -1.369 18219 1745 1 4 . 1 1 46 46 CYS HA H 37 4.180 4.180 4.046 0.134 18219 1746 1 4 . 1 1 46 46 CYS C C 37 173.710 173.710 176.587 -2.877 18219 1747 1 4 . 1 1 46 46 CYS CA C 37 63.000 63.000 64.157 -1.157 18219 1748 1 4 . 1 1 46 46 CYS CB C 37 60.283 60.283 27.811 32.472 18219 1749 1 4 . 1 1 46 46 CYS H H 37 8.253 8.253 8.088 0.165 18219 1750 1 4 . 1 1 47 47 LEU N N 38 120.283 120.283 119.189 1.094 18219 1751 1 4 . 1 1 47 47 LEU HA H 38 4.060 4.060 4.036 0.024 18219 1752 1 4 . 1 1 47 47 LEU C C 38 176.679 176.679 178.370 -1.691 18219 1753 1 4 . 1 1 47 47 LEU CA C 38 56.027 56.027 57.950 -1.923 18219 1754 1 4 . 1 1 47 47 LEU CB C 38 41.464 41.464 40.461 1.004 18219 1755 1 4 . 1 1 47 47 LEU H H 38 7.965 7.965 8.520 -0.555 18219 1756 1 4 . 1 1 48 48 ALA N N 39 122.249 122.249 122.555 -0.306 18219 1757 1 4 . 1 1 48 48 ALA HA H 39 4.142 4.142 4.020 0.122 18219 1758 1 4 . 1 1 48 48 ALA C C 39 177.915 177.915 179.594 -1.679 18219 1759 1 4 . 1 1 48 48 ALA CA C 39 53.717 53.717 55.053 -1.336 18219 1760 1 4 . 1 1 48 48 ALA CB C 39 17.985 17.985 18.047 -0.062 18219 1761 1 4 . 1 1 48 48 ALA H H 39 8.066 8.066 8.030 0.036 18219 1762 1 4 . 1 1 49 49 GLY N N 40 107.377 107.377 107.418 -0.041 18219 1763 1 4 . 1 1 49 49 GLY C C 40 172.527 172.527 175.550 -3.023 18219 1764 1 4 . 1 1 49 49 GLY CA C 40 45.450 45.450 46.490 -1.040 18219 1765 1 4 . 1 1 49 49 GLY H H 40 8.172 8.172 8.058 0.114 18219 1766 1 4 . 1 1 50 50 TYR N N 41 122.409 122.409 123.664 -1.255 18219 1767 1 4 . 1 1 50 50 TYR HA H 41 3.799 3.799 4.095 -0.296 18219 1768 1 4 . 1 1 50 50 TYR C C 41 174.208 174.208 177.458 -3.250 18219 1769 1 4 . 1 1 50 50 TYR CA C 41 59.245 59.245 61.113 -1.868 18219 1770 1 4 . 1 1 50 50 TYR CB C 41 37.936 37.936 38.500 -0.564 18219 1771 1 4 . 1 1 50 50 TYR H H 41 7.800 7.800 8.366 -0.566 18219 1772 1 4 . 1 1 51 51 GLY N N 42 106.935 106.935 104.138 2.797 18219 1773 1 4 . 1 1 51 51 GLY C C 42 172.642 172.642 175.605 -2.963 18219 1774 1 4 . 1 1 51 51 GLY CA C 42 46.265 46.265 45.466 0.799 18219 1775 1 4 . 1 1 51 51 GLY H H 42 8.199 8.199 8.232 -0.033 18219 1776 1 4 . 1 1 52 52 ALA N N 43 123.018 123.018 125.375 -2.357 18219 1777 1 4 . 1 1 52 52 ALA HA H 43 4.150 4.150 4.078 0.072 18219 1778 1 4 . 1 1 52 52 ALA C C 43 176.398 176.398 179.493 -3.095 18219 1779 1 4 . 1 1 52 52 ALA CA C 43 52.883 52.883 53.910 -1.026 18219 1780 1 4 . 1 1 52 52 ALA CB C 43 18.241 18.241 18.115 0.126 18219 1781 1 4 . 1 1 52 52 ALA H H 43 7.758 7.758 7.976 -0.218 18219 1782 1 4 . 1 1 53 53 TYR N N 44 119.664 119.664 119.476 0.188 18219 1783 1 4 . 1 1 53 53 TYR HA H 44 4.318 4.318 4.222 0.096 18219 1784 1 4 . 1 1 53 53 TYR C C 44 174.180 174.180 177.110 -2.930 18219 1785 1 4 . 1 1 53 53 TYR CA C 44 58.593 58.593 61.289 -2.696 18219 1786 1 4 . 1 1 53 53 TYR CB C 44 38.192 38.192 38.584 -0.392 18219 1787 1 4 . 1 1 53 53 TYR H H 44 7.920 7.920 8.088 -0.168 18219 1788 1 4 . 1 1 54 54 ARG N N 45 119.516 119.516 118.004 1.512 18219 1789 1 4 . 1 1 54 54 ARG HA H 45 3.930 3.930 4.492 -0.562 18219 1790 1 4 . 1 1 54 54 ARG C C 45 174.423 174.423 176.328 -1.905 18219 1791 1 4 . 1 1 54 54 ARG CA C 45 56.027 56.027 56.058 -0.031 18219 1792 1 4 . 1 1 54 54 ARG CB C 45 30.173 30.173 30.794 -0.621 18219 1793 1 4 . 1 1 54 54 ARG H H 45 7.956 7.956 7.586 0.370 18219 1794 1 4 . 1 1 55 55 VAL N N 46 116.437 116.437 119.644 -3.207 18219 1795 1 4 . 1 1 55 55 VAL HA H 46 4.060 4.060 3.811 0.249 18219 1796 1 4 . 1 1 55 55 VAL C C 46 173.806 173.806 175.489 -1.683 18219 1797 1 4 . 1 1 55 55 VAL CA C 46 62.300 62.300 62.675 -0.375 18219 1798 1 4 . 1 1 55 55 VAL CB C 46 31.521 31.521 31.809 -0.288 18219 1799 1 4 . 1 1 55 55 VAL H H 46 7.489 7.489 7.137 0.352 18219 1800 1 4 . 1 1 56 56 SER N N 47 117.185 117.185 115.541 1.644 18219 1801 1 4 . 1 1 56 56 SER HA H 47 4.401 4.401 4.086 0.315 18219 1802 1 4 . 1 1 56 56 SER C C 47 172.074 172.074 175.291 -3.217 18219 1803 1 4 . 1 1 56 56 SER CA C 47 58.133 58.133 60.752 -2.619 18219 1804 1 4 . 1 1 56 56 SER CB C 47 63.468 63.468 63.810 -0.342 18219 1805 1 4 . 1 1 56 56 SER H H 47 7.728 7.728 7.675 0.053 18219 1806 1 4 . 1 1 57 57 ASN N N 48 121.049 121.049 120.064 0.985 18219 1807 1 4 . 1 1 57 57 ASN HA H 48 4.590 4.590 4.439 0.151 18219 1808 1 4 . 1 1 57 57 ASN CA C 48 53.600 53.600 55.542 -1.942 18219 1809 1 4 . 1 1 57 57 ASN CB C 48 38.641 38.641 37.710 0.931 18219 1810 1 4 . 1 1 57 57 ASN H H 48 8.228 8.228 8.724 -0.496 18219 1811 1 4 . 1 1 58 58 ASP N N 49 120.276 120.276 118.509 1.767 18219 1812 1 4 . 1 1 58 58 ASP HA H 49 4.530 4.530 4.566 -0.036 18219 1813 1 4 . 1 1 58 58 ASP CA C 49 54.202 54.202 54.464 -0.262 18219 1814 1 4 . 1 1 58 58 ASP CB C 49 40.374 40.374 41.793 -1.419 18219 1815 1 4 . 1 1 58 58 ASP H H 49 8.192 8.192 8.509 -0.317 18219 1816 1 4 . 1 1 59 59 LYS N N 50 120.660 120.660 118.349 2.311 18219 1817 1 4 . 1 1 59 59 LYS HA H 50 4.200 4.200 4.020 0.180 18219 1818 1 4 . 1 1 59 59 LYS C C 50 173.474 173.474 175.743 -2.269 18219 1819 1 4 . 1 1 59 59 LYS CA C 50 56.300 56.300 57.608 -1.308 18219 1820 1 4 . 1 1 59 59 LYS CB C 50 32.034 32.034 32.870 -0.836 18219 1821 1 4 . 1 1 59 59 LYS H H 50 8.003 8.003 7.963 0.040 18219 1822 1 4 . 1 1 60 60 ARG N N 51 121.278 121.278 119.476 1.802 18219 1823 1 4 . 1 1 60 60 ARG HA H 51 4.200 4.200 4.168 0.032 18219 1824 1 4 . 1 1 60 60 ARG C C 51 173.303 173.303 175.001 -1.698 18219 1825 1 4 . 1 1 60 60 ARG CA C 51 56.283 56.283 56.784 -0.501 18219 1826 1 4 . 1 1 60 60 ARG CB C 51 30.238 30.238 30.904 -0.666 18219 1827 1 4 . 1 1 60 60 ARG H H 51 8.091 8.091 8.348 -0.257 18219 1828 1 4 . 1 1 61 61 ASP N N 52 121.185 121.185 118.133 3.052 18219 1829 1 4 . 1 1 61 61 ASP HA H 52 4.615 4.615 4.744 -0.129 18219 1830 1 4 . 1 1 61 61 ASP C C 52 173.777 173.777 177.022 -3.245 18219 1831 1 4 . 1 1 61 61 ASP CA C 52 53.979 53.979 55.373 -1.394 18219 1832 1 4 . 1 1 61 61 ASP CB C 52 40.245 40.245 41.874 -1.629 18219 1833 1 4 . 1 1 61 61 ASP H H 52 8.261 8.261 8.427 -0.166 18219 1834 1 4 . 1 1 62 62 VAL N N 53 121.902 121.902 119.875 2.027 18219 1835 1 4 . 1 1 62 62 VAL HA H 53 3.950 3.950 4.276 -0.326 18219 1836 1 4 . 1 1 62 62 VAL C C 53 173.279 173.279 176.501 -3.222 18219 1837 1 4 . 1 1 62 62 VAL CA C 53 63.176 63.176 63.607 -0.431 18219 1838 1 4 . 1 1 62 62 VAL CB C 53 32.099 32.099 32.568 -0.469 18219 1839 1 4 . 1 1 62 62 VAL H H 53 7.997 7.997 8.037 -0.040 18219 1840 1 4 . 1 1 63 63 LYS N N 54 123.522 123.522 121.660 1.862 18219 1841 1 4 . 1 1 63 63 LYS HA H 54 4.260 4.260 4.131 0.129 18219 1842 1 4 . 1 1 63 63 LYS C C 54 174.481 174.481 178.623 -4.142 18219 1843 1 4 . 1 1 63 63 LYS CA C 54 56.347 56.347 59.845 -3.498 18219 1844 1 4 . 1 1 63 63 LYS CB C 54 32.099 32.099 31.937 0.162 18219 1845 1 4 . 1 1 63 63 LYS H H 54 8.054 8.054 8.265 -0.211 18219 1846 1 4 . 1 1 64 64 VAL N N 55 120.647 120.647 117.982 2.665 18219 1847 1 4 . 1 1 64 64 VAL HA H 55 3.947 3.947 3.767 0.180 18219 1848 1 4 . 1 1 64 64 VAL C C 55 174.955 174.955 177.540 -2.585 18219 1849 1 4 . 1 1 64 64 VAL CA C 55 64.600 64.600 65.607 -1.007 18219 1850 1 4 . 1 1 64 64 VAL CB C 55 31.877 31.877 30.998 0.879 18219 1851 1 4 . 1 1 64 64 VAL H H 55 8.225 8.225 8.005 0.220 18219 1852 1 4 . 1 1 65 65 SER N N 56 117.785 117.785 116.015 1.770 18219 1853 1 4 . 1 1 65 65 SER HA H 56 4.390 4.390 4.160 0.230 18219 1854 1 4 . 1 1 65 65 SER C C 56 172.300 172.300 176.712 -4.412 18219 1855 1 4 . 1 1 65 65 SER CA C 56 60.000 60.000 62.364 -2.364 18219 1856 1 4 . 1 1 65 65 SER CB C 56 62.879 62.879 63.041 -0.162 18219 1857 1 4 . 1 1 65 65 SER H H 56 8.260 8.260 7.880 0.380 18219 1858 1 4 . 1 1 66 66 LEU N N 57 123.318 123.318 122.293 1.025 18219 1859 1 4 . 1 1 66 66 LEU HA H 57 4.090 4.090 4.149 -0.059 18219 1860 1 4 . 1 1 66 66 LEU C C 57 175.932 175.932 178.552 -2.620 18219 1861 1 4 . 1 1 66 66 LEU CA C 57 57.502 57.502 58.546 -1.044 18219 1862 1 4 . 1 1 66 66 LEU CB C 57 41.721 41.721 42.201 -0.480 18219 1863 1 4 . 1 1 66 66 LEU H H 57 8.091 8.091 8.137 -0.046 18219 1864 1 4 . 1 1 67 67 PHE N N 58 118.020 118.020 118.446 -0.426 18219 1865 1 4 . 1 1 67 67 PHE HA H 58 4.330 4.330 3.978 0.352 18219 1866 1 4 . 1 1 67 67 PHE C C 58 174.912 174.912 177.650 -2.738 18219 1867 1 4 . 1 1 67 67 PHE CA C 58 60.600 60.600 61.586 -0.986 18219 1868 1 4 . 1 1 67 67 PHE CB C 58 38.552 38.552 38.701 -0.149 18219 1869 1 4 . 1 1 67 67 PHE H H 58 8.066 8.066 8.546 -0.480 18219 1870 1 4 . 1 1 68 68 THR N N 59 115.324 115.324 116.132 -0.808 18219 1871 1 4 . 1 1 68 68 THR HA H 59 4.310 4.310 4.075 0.235 18219 1872 1 4 . 1 1 68 68 THR C C 59 173.380 173.380 176.305 -2.925 18219 1873 1 4 . 1 1 68 68 THR CA C 59 66.313 66.313 67.621 -1.308 18219 1874 1 4 . 1 1 68 68 THR CB C 59 67.700 67.700 68.942 -1.242 18219 1875 1 4 . 1 1 68 68 THR H H 59 8.287 8.287 8.292 -0.005 18219 1876 1 4 . 1 1 69 69 ALA N N 60 123.621 123.621 124.821 -1.200 18219 1877 1 4 . 1 1 69 69 ALA HA H 60 4.280 4.280 3.999 0.281 18219 1878 1 4 . 1 1 69 69 ALA C C 60 176.978 176.978 179.535 -2.557 18219 1879 1 4 . 1 1 69 69 ALA CA C 60 55.100 55.100 55.333 -0.233 18219 1880 1 4 . 1 1 69 69 ALA CB C 60 17.728 17.728 18.358 -0.630 18219 1881 1 4 . 1 1 69 69 ALA H H 60 7.983 7.983 8.241 -0.258 18219 1882 1 4 . 1 1 70 70 PHE N N 61 118.520 118.520 118.195 0.325 18219 1883 1 4 . 1 1 70 70 PHE HA H 61 4.260 4.260 4.095 0.165 18219 1884 1 4 . 1 1 70 70 PHE C C 61 175.369 175.369 177.674 -2.305 18219 1885 1 4 . 1 1 70 70 PHE CA C 61 60.179 60.179 62.651 -2.472 18219 1886 1 4 . 1 1 70 70 PHE CB C 61 38.706 38.706 38.952 -0.246 18219 1887 1 4 . 1 1 70 70 PHE H H 61 8.007 8.007 8.733 -0.726 18219 1888 1 4 . 1 1 71 71 PHE N N 62 122.314 122.314 119.688 2.626 18219 1889 1 4 . 1 1 71 71 PHE HA H 62 4.000 4.000 4.105 -0.105 18219 1890 1 4 . 1 1 71 71 PHE C C 62 174.697 174.697 177.537 -2.840 18219 1891 1 4 . 1 1 71 71 PHE CA C 62 60.517 60.517 62.872 -2.355 18219 1892 1 4 . 1 1 71 71 PHE CB C 62 38.770 38.770 39.241 -0.471 18219 1893 1 4 . 1 1 71 71 PHE H H 62 8.546 8.546 8.291 0.255 18219 1894 1 4 . 1 1 72 72 LEU N N 63 119.399 119.399 119.514 -0.115 18219 1895 1 4 . 1 1 72 72 LEU HA H 63 3.870 3.870 3.884 -0.014 18219 1896 1 4 . 1 1 72 72 LEU C C 63 175.774 175.774 178.935 -3.161 18219 1897 1 4 . 1 1 72 72 LEU CA C 63 56.925 56.925 58.270 -1.345 18219 1898 1 4 . 1 1 72 72 LEU CB C 63 41.207 41.207 41.731 -0.524 18219 1899 1 4 . 1 1 72 72 LEU H H 63 8.396 8.396 8.732 -0.336 18219 1900 1 4 . 1 1 73 73 ALA N N 64 120.221 120.221 121.147 -0.926 18219 1901 1 4 . 1 1 73 73 ALA HA H 64 3.960 3.960 3.958 0.002 18219 1902 1 4 . 1 1 73 73 ALA C C 64 177.267 177.267 179.426 -2.159 18219 1903 1 4 . 1 1 73 73 ALA CA C 64 54.600 54.600 54.980 -0.380 18219 1904 1 4 . 1 1 73 73 ALA CB C 64 17.784 17.784 18.023 -0.239 18219 1905 1 4 . 1 1 73 73 ALA H H 64 8.025 8.025 8.014 0.011 18219 1906 1 4 . 1 1 74 74 THR N N 65 113.648 113.648 115.920 -2.272 18219 1907 1 4 . 1 1 74 74 THR HA H 65 3.980 3.980 3.782 0.198 18219 1908 1 4 . 1 1 74 74 THR CA C 65 66.291 66.291 66.688 -0.397 18219 1909 1 4 . 1 1 74 74 THR CB C 65 67.914 67.914 68.757 -0.843 18219 1910 1 4 . 1 1 74 74 THR H H 65 7.717 7.717 7.749 -0.032 18219 1911 1 4 . 1 1 75 75 ILE N N 66 120.291 120.291 120.001 0.290 18219 1912 1 4 . 1 1 75 75 ILE HA H 66 3.740 3.740 3.587 0.153 18219 1913 1 4 . 1 1 75 75 ILE C C 66 174.951 174.951 178.058 -3.107 18219 1914 1 4 . 1 1 75 75 ILE CA C 66 64.880 64.880 64.118 0.761 18219 1915 1 4 . 1 1 75 75 ILE CB C 66 37.166 37.166 37.407 -0.241 18219 1916 1 4 . 1 1 75 75 ILE H H 66 7.738 7.738 8.150 -0.412 18219 1917 1 4 . 1 1 76 76 MET N N 67 117.618 117.618 117.549 0.069 18219 1918 1 4 . 1 1 76 76 MET HA H 67 4.220 4.220 4.102 0.118 18219 1919 1 4 . 1 1 76 76 MET C C 67 175.142 175.142 177.837 -2.695 18219 1920 1 4 . 1 1 76 76 MET CA C 67 56.723 56.723 58.146 -1.423 18219 1921 1 4 . 1 1 76 76 MET CB C 67 31.951 31.951 33.289 -1.338 18219 1922 1 4 . 1 1 76 76 MET H H 67 7.823 7.823 8.256 -0.433 18219 1923 1 4 . 1 1 77 77 GLY N N 68 107.110 107.110 105.549 1.561 18219 1924 1 4 . 1 1 77 77 GLY C C 68 172.260 172.260 175.475 -3.215 18219 1925 1 4 . 1 1 77 77 GLY CA C 68 45.800 45.800 45.687 0.113 18219 1926 1 4 . 1 1 77 77 GLY H H 68 7.937 7.937 8.117 -0.180 18219 1927 1 4 . 1 1 78 78 VAL N N 69 120.431 120.431 119.385 1.046 18219 1928 1 4 . 1 1 78 78 VAL HA H 69 4.220 4.220 3.668 0.552 18219 1929 1 4 . 1 1 78 78 VAL CA C 69 63.900 63.900 65.234 -1.334 18219 1930 1 4 . 1 1 78 78 VAL CB C 69 31.506 31.506 31.813 -0.307 18219 1931 1 4 . 1 1 78 78 VAL H H 69 7.697 7.697 8.441 -0.744 18219 1932 1 4 . 1 1 79 79 ARG N N 70 121.420 121.420 115.476 5.944 18219 1933 1 4 . 1 1 79 79 ARG HA H 70 3.810 3.810 4.383 -0.573 18219 1934 1 4 . 1 1 79 79 ARG CA C 70 56.400 56.400 56.453 -0.053 18219 1935 1 4 . 1 1 79 79 ARG CB C 70 30.097 30.097 30.207 -0.110 18219 1936 1 4 . 1 1 79 79 ARG H H 70 7.889 7.889 7.801 0.088 18219 1937 1 4 . 1 1 80 80 PHE N N 71 119.949 119.949 120.269 -0.320 18219 1938 1 4 . 1 1 80 80 PHE HA H 71 4.510 4.510 4.274 0.236 18219 1939 1 4 . 1 1 80 80 PHE CA C 71 58.600 58.600 59.706 -1.106 18219 1940 1 4 . 1 1 80 80 PHE CB C 71 39.145 39.145 39.550 -0.405 18219 1941 1 4 . 1 1 80 80 PHE H H 71 8.101 8.101 8.581 -0.480 18219 1942 1 4 . 1 1 81 81 LYS N N 72 122.193 122.193 115.776 6.417 18219 1943 1 4 . 1 1 81 81 LYS CA C 72 56.800 56.800 58.478 -1.678 18219 1944 1 4 . 1 1 81 81 LYS CB C 72 32.322 32.322 31.032 1.290 18219 1945 1 4 . 1 1 81 81 LYS H H 72 8.090 8.090 8.642 -0.552 18219 1946 1 4 . 1 1 82 82 ARG N N 73 119.650 119.650 121.001 -1.351 18219 1947 1 4 . 1 1 82 82 ARG CA C 73 56.089 56.089 56.607 -0.518 18219 1948 1 4 . 1 1 82 82 ARG CB C 73 30.171 30.171 30.273 -0.103 18219 1949 1 4 . 1 1 82 82 ARG H H 73 8.052 8.052 8.159 -0.107 18219 1950 1 4 . 1 1 83 83 SER N N 74 115.734 115.734 114.661 1.073 18219 1951 1 4 . 1 1 83 83 SER CA C 74 58.355 58.355 58.023 0.332 18219 1952 1 4 . 1 1 83 83 SER CB C 74 63.404 63.404 62.766 0.638 18219 1953 1 4 . 1 1 83 83 SER H H 74 7.912 7.912 7.679 0.233 18219 1954 1 4 . 1 1 84 84 LYS N N 75 122.370 122.370 124.050 -1.680 18219 1955 1 4 . 1 1 84 84 LYS CA C 75 56.135 56.135 56.308 -0.173 18219 1956 1 4 . 1 1 84 84 LYS CB C 75 32.175 32.175 31.084 1.091 18219 1957 1 4 . 1 1 84 84 LYS H H 75 8.067 8.067 8.372 -0.305 18219 1958 1 4 . 1 1 86 86 ILE N N 77 119.592 119.592 118.449 1.143 18219 1959 1 4 . 1 1 86 86 ILE HA H 77 3.810 3.810 3.897 -0.087 18219 1960 1 4 . 1 1 86 86 ILE CA C 77 64.900 64.900 62.976 1.924 18219 1961 1 4 . 1 1 86 86 ILE CB C 77 39.145 39.145 38.566 0.579 18219 1962 1 4 . 1 1 86 86 ILE H H 77 7.837 7.837 7.989 -0.152 18219 1963 1 4 . 1 1 87 87 MET N N 78 121.645 121.645 118.634 3.011 18219 1964 1 4 . 1 1 87 87 MET CA C 78 52.982 52.982 58.765 -5.783 18219 1965 1 4 . 1 1 87 87 MET CB C 78 32.173 32.173 30.555 1.618 18219 1966 1 4 . 1 1 87 87 MET H H 78 7.950 7.950 8.010 -0.060 18219 1967 1 4 . 1 1 88 88 PRO HA H 79 4.140 4.140 4.371 -0.231 18219 1968 1 4 . 1 1 88 88 PRO C C 79 173.921 173.921 177.809 -3.888 18219 1969 1 4 . 1 1 88 88 PRO CA C 79 62.800 62.800 64.479 -1.679 18219 1970 1 4 . 1 1 88 88 PRO CB C 79 31.136 31.136 31.930 -0.794 18219 1971 1 4 . 1 1 89 89 ALA N N 80 124.431 124.431 119.122 5.309 18219 1972 1 4 . 1 1 89 89 ALA HA H 80 4.400 4.400 3.880 0.520 18219 1973 1 4 . 1 1 89 89 ALA C C 80 176.234 176.234 179.635 -3.401 18219 1974 1 4 . 1 1 89 89 ALA CA C 80 53.300 53.300 54.406 -1.106 18219 1975 1 4 . 1 1 89 89 ALA CB C 80 18.498 18.498 16.902 1.596 18219 1976 1 4 . 1 1 89 89 ALA H H 80 8.320 8.320 8.417 -0.097 18219 1977 1 4 . 1 1 90 90 GLY N N 81 106.834 106.834 107.180 -0.346 18219 1978 1 4 . 1 1 90 90 GLY C C 81 172.398 172.398 175.731 -3.333 18219 1979 1 4 . 1 1 90 90 GLY CA C 81 45.600 45.600 47.060 -1.460 18219 1980 1 4 . 1 1 90 90 GLY H H 81 8.458 8.458 8.626 -0.168 18219 1981 1 4 . 1 1 91 91 LEU N N 82 121.043 121.043 120.465 0.578 18219 1982 1 4 . 1 1 91 91 LEU HA H 82 4.200 4.200 4.017 0.183 18219 1983 1 4 . 1 1 91 91 LEU C C 82 174.783 174.783 178.551 -3.768 18219 1984 1 4 . 1 1 91 91 LEU CA C 82 56.300 56.300 58.232 -1.932 18219 1985 1 4 . 1 1 91 91 LEU CB C 82 42.106 42.106 42.008 0.097 18219 1986 1 4 . 1 1 91 91 LEU H H 82 7.687 7.687 8.115 -0.428 18219 1987 1 4 . 1 1 92 92 VAL N N 83 114.737 114.737 118.564 -3.827 18219 1988 1 4 . 1 1 92 92 VAL HA H 83 3.980 3.980 3.613 0.367 18219 1989 1 4 . 1 1 92 92 VAL C C 83 173.634 173.634 177.846 -4.212 18219 1990 1 4 . 1 1 92 92 VAL CA C 83 62.400 62.400 65.785 -3.385 18219 1991 1 4 . 1 1 92 92 VAL CB C 83 31.585 31.585 30.704 0.881 18219 1992 1 4 . 1 1 92 92 VAL H H 83 7.602 7.602 7.789 -0.187 18219 1993 1 4 . 1 1 93 93 ALA N N 84 124.320 124.320 121.181 3.139 18219 1994 1 4 . 1 1 93 93 ALA HA H 84 4.150 4.150 3.993 0.157 18219 1995 1 4 . 1 1 93 93 ALA C C 84 175.746 175.746 179.922 -4.176 18219 1996 1 4 . 1 1 93 93 ALA CA C 84 53.300 53.300 55.269 -1.969 18219 1997 1 4 . 1 1 93 93 ALA CB C 84 18.241 18.241 18.099 0.142 18219 1998 1 4 . 1 1 93 93 ALA H H 84 7.891 7.891 8.119 -0.228 18219 1999 1 4 . 1 1 94 94 GLY N N 85 106.807 106.807 107.211 -0.404 18219 2000 1 4 . 1 1 94 94 GLY C C 85 171.752 171.752 175.946 -4.194 18219 2001 1 4 . 1 1 94 94 GLY CA C 85 45.249 45.249 46.646 -1.397 18219 2002 1 4 . 1 1 94 94 GLY H H 85 8.204 8.204 8.028 0.176 18219 2003 1 4 . 1 1 95 95 LEU N N 86 121.266 121.266 122.222 -0.956 18219 2004 1 4 . 1 1 95 95 LEU HA H 86 4.380 4.380 4.160 0.220 18219 2005 1 4 . 1 1 95 95 LEU C C 86 173.702 173.702 178.676 -4.974 18219 2006 1 4 . 1 1 95 95 LEU CA C 86 55.000 55.000 57.537 -2.537 18219 2007 1 4 . 1 1 95 95 LEU CB C 86 42.298 42.298 41.295 1.003 18219 2008 1 4 . 1 1 95 95 LEU H H 86 7.718 7.718 8.072 -0.354 18219 2009 1 4 . 1 1 96 96 SER N N 87 115.658 115.658 115.063 0.595 18219 2010 1 4 . 1 1 96 96 SER HA H 87 4.370 4.370 4.134 0.236 18219 2011 1 4 . 1 1 96 96 SER C C 87 172.479 172.479 176.738 -4.259 18219 2012 1 4 . 1 1 96 96 SER CA C 87 57.200 57.200 62.164 -4.964 18219 2013 1 4 . 1 1 96 96 SER CB C 87 64.174 64.174 63.177 0.997 18219 2014 1 4 . 1 1 96 96 SER H H 87 7.659 7.659 8.105 -0.446 18219 2015 1 4 . 1 1 97 97 LEU N N 88 123.720 123.720 122.094 1.626 18219 2016 1 4 . 1 1 97 97 LEU HA H 88 4.600 4.600 3.922 0.678 18219 2017 1 4 . 1 1 97 97 LEU C C 88 175.932 175.932 179.014 -3.082 18219 2018 1 4 . 1 1 97 97 LEU CA C 88 57.600 57.600 57.993 -0.393 18219 2019 1 4 . 1 1 97 97 LEU CB C 88 41.400 41.400 41.934 -0.534 18219 2020 1 4 . 1 1 97 97 LEU H H 88 8.733 8.733 8.149 0.584 18219 2021 1 4 . 1 1 98 98 MET N N 89 116.684 116.684 119.645 -2.961 18219 2022 1 4 . 1 1 98 98 MET HA H 89 4.280 4.280 4.064 0.216 18219 2023 1 4 . 1 1 98 98 MET C C 89 175.789 175.789 178.166 -2.377 18219 2024 1 4 . 1 1 98 98 MET CA C 89 56.915 56.915 59.041 -2.126 18219 2025 1 4 . 1 1 98 98 MET CB C 89 31.007 31.007 32.725 -1.718 18219 2026 1 4 . 1 1 98 98 MET H H 89 8.342 8.342 8.152 0.190 18219 2027 1 4 . 1 1 99 99 MET N N 90 119.182 119.182 117.633 1.549 18219 2028 1 4 . 1 1 99 99 MET HA H 90 4.110 4.110 4.225 -0.115 18219 2029 1 4 . 1 1 99 99 MET C C 90 175.588 175.588 178.730 -3.142 18219 2030 1 4 . 1 1 99 99 MET CA C 90 57.951 57.951 58.671 -0.720 18219 2031 1 4 . 1 1 99 99 MET CB C 90 32.226 32.226 31.960 0.266 18219 2032 1 4 . 1 1 99 99 MET H H 90 7.720 7.720 8.162 -0.442 18219 2033 1 4 . 1 1 100 100 ILE N N 91 119.077 119.077 119.570 -0.493 18219 2034 1 4 . 1 1 100 100 ILE HA H 91 4.110 4.110 3.899 0.211 18219 2035 1 4 . 1 1 100 100 ILE C C 91 174.634 174.634 177.570 -2.936 18219 2036 1 4 . 1 1 100 100 ILE CA C 91 64.100 64.100 64.253 -0.153 18219 2037 1 4 . 1 1 100 100 ILE CB C 91 37.143 37.143 38.024 -0.881 18219 2038 1 4 . 1 1 100 100 ILE H H 91 7.662 7.662 8.234 -0.572 18219 2039 1 4 . 1 1 101 101 LEU N N 92 119.646 119.646 120.586 -0.940 18219 2040 1 4 . 1 1 101 101 LEU HA H 92 4.530 4.530 4.159 0.371 18219 2041 1 4 . 1 1 101 101 LEU C C 92 175.430 175.430 177.891 -2.461 18219 2042 1 4 . 1 1 101 101 LEU CA C 92 57.800 57.800 57.323 0.477 18219 2043 1 4 . 1 1 101 101 LEU CB C 92 40.758 40.758 41.876 -1.118 18219 2044 1 4 . 1 1 101 101 LEU H H 92 8.142 8.142 7.788 0.354 18219 2045 1 4 . 1 1 102 102 ARG N N 93 116.394 116.394 118.468 -2.074 18219 2046 1 4 . 1 1 102 102 ARG HA H 93 4.140 4.140 4.315 -0.175 18219 2047 1 4 . 1 1 102 102 ARG C C 93 175.961 175.961 178.201 -2.240 18219 2048 1 4 . 1 1 102 102 ARG CA C 93 59.100 59.100 58.282 0.818 18219 2049 1 4 . 1 1 102 102 ARG CB C 93 29.404 29.404 31.144 -1.740 18219 2050 1 4 . 1 1 102 102 ARG H H 93 7.893 7.893 8.043 -0.150 18219 2051 1 4 . 1 1 103 103 LEU N N 94 119.114 119.114 120.953 -1.839 18219 2052 1 4 . 1 1 103 103 LEU HA H 94 4.110 4.110 4.093 0.017 18219 2053 1 4 . 1 1 103 103 LEU C C 94 175.889 175.889 178.068 -2.179 18219 2054 1 4 . 1 1 103 103 LEU CA C 94 57.300 57.300 57.356 -0.056 18219 2055 1 4 . 1 1 103 103 LEU CB C 94 41.296 41.296 41.740 -0.444 18219 2056 1 4 . 1 1 103 103 LEU H H 94 7.622 7.622 7.894 -0.272 18219 2057 1 4 . 1 1 104 104 VAL N N 95 117.704 117.704 118.297 -0.593 18219 2058 1 4 . 1 1 104 104 VAL HA H 95 3.530 3.530 3.694 -0.164 18219 2059 1 4 . 1 1 104 104 VAL C C 95 175.042 175.042 177.379 -2.337 18219 2060 1 4 . 1 1 104 104 VAL CA C 95 66.419 66.419 65.890 0.529 18219 2061 1 4 . 1 1 104 104 VAL CB C 95 31.357 31.357 32.053 -0.697 18219 2062 1 4 . 1 1 104 104 VAL H H 95 8.026 8.026 7.612 0.414 18219 2063 1 4 . 1 1 105 105 LEU N N 96 117.185 117.185 113.305 3.880 18219 2064 1 4 . 1 1 105 105 LEU HA H 96 3.980 3.980 4.517 -0.537 18219 2065 1 4 . 1 1 105 105 LEU C C 96 176.579 176.579 177.042 -0.463 18219 2066 1 4 . 1 1 105 105 LEU CA C 96 56.800 56.800 55.192 1.608 18219 2067 1 4 . 1 1 105 105 LEU CB C 96 40.951 40.951 43.145 -2.194 18219 2068 1 4 . 1 1 105 105 LEU H H 96 7.893 7.893 7.454 0.439 18219 2069 1 4 . 1 1 106 106 LEU N N 97 118.471 118.471 117.153 1.318 18219 2070 1 4 . 1 1 106 106 LEU HA H 97 4.180 4.180 3.912 0.268 18219 2071 1 4 . 1 1 106 106 LEU C C 97 175.802 175.802 176.155 -0.353 18219 2072 1 4 . 1 1 106 106 LEU CA C 97 56.300 56.300 56.237 0.063 18219 2073 1 4 . 1 1 106 106 LEU CB C 97 41.592 41.592 40.510 1.082 18219 2074 1 4 . 1 1 106 106 LEU H H 97 7.545 7.545 8.196 -0.651 18219 2075 1 4 . 1 1 107 107 LEU N N 98 118.162 118.162 117.802 0.360 18219 2076 1 4 . 1 1 107 107 LEU HA H 98 4.230 4.230 4.112 0.118 18219 2077 1 4 . 1 1 107 107 LEU C C 98 174.174 174.174 178.049 -3.875 18219 2078 1 4 . 1 1 107 107 LEU CA C 98 56.283 56.283 55.959 0.324 18219 2079 1 4 . 1 1 107 107 LEU CB C 98 42.362 42.362 42.241 0.121 18219 2080 1 4 . 1 1 107 107 LEU H H 98 7.688 7.688 7.940 -0.252 18219 2081 1 5 . 1 1 11 11 ASP N N 2 120.536 120.536 120.637 -0.101 18219 2082 1 5 . 1 1 11 11 ASP CA C 2 55.918 55.918 54.451 1.467 18219 2083 1 5 . 1 1 11 11 ASP CB C 2 37.959 37.959 40.731 -2.772 18219 2084 1 5 . 1 1 11 11 ASP H H 2 7.863 7.863 8.401 -0.538 18219 2085 1 5 . 1 1 12 12 LEU N N 3 121.414 121.414 121.831 -0.417 18219 2086 1 5 . 1 1 12 12 LEU C C 3 176.162 176.162 179.136 -2.974 18219 2087 1 5 . 1 1 12 12 LEU CA C 3 57.600 57.600 56.990 0.610 18219 2088 1 5 . 1 1 12 12 LEU CB C 3 41.657 41.657 42.014 -0.356 18219 2089 1 5 . 1 1 12 12 LEU H H 3 8.285 8.285 7.864 0.421 18219 2090 1 5 . 1 1 13 13 ILE N N 4 118.854 118.854 117.655 1.199 18219 2091 1 5 . 1 1 13 13 ILE HA H 4 3.740 3.740 3.805 -0.065 18219 2092 1 5 . 1 1 13 13 ILE C C 4 175.228 175.228 177.756 -2.528 18219 2093 1 5 . 1 1 13 13 ILE CA C 4 64.500 64.500 63.662 0.838 18219 2094 1 5 . 1 1 13 13 ILE CB C 4 37.102 37.102 37.824 -0.722 18219 2095 1 5 . 1 1 13 13 ILE H H 4 8.031 8.031 7.882 0.149 18219 2096 1 5 . 1 1 14 14 GLY N N 5 107.478 107.478 106.287 1.191 18219 2097 1 5 . 1 1 14 14 GLY C C 5 174.424 174.424 176.048 -1.624 18219 2098 1 5 . 1 1 14 14 GLY CA C 5 47.059 47.059 46.787 0.272 18219 2099 1 5 . 1 1 14 14 GLY H H 5 8.148 8.148 8.259 -0.111 18219 2100 1 5 . 1 1 15 15 PHE N N 6 122.774 122.774 123.832 -1.058 18219 2101 1 5 . 1 1 15 15 PHE HA H 6 4.480 4.480 4.249 0.231 18219 2102 1 5 . 1 1 15 15 PHE C C 6 175.113 175.113 177.228 -2.115 18219 2103 1 5 . 1 1 15 15 PHE CA C 6 60.017 60.017 61.820 -1.803 18219 2104 1 5 . 1 1 15 15 PHE CB C 6 38.774 38.774 38.511 0.263 18219 2105 1 5 . 1 1 15 15 PHE H H 6 8.194 8.194 8.700 -0.506 18219 2106 1 5 . 1 1 16 16 GLY N N 7 107.938 107.938 106.374 1.564 18219 2107 1 5 . 1 1 16 16 GLY C C 7 171.838 171.838 175.650 -3.812 18219 2108 1 5 . 1 1 16 16 GLY CA C 7 47.100 47.100 47.549 -0.449 18219 2109 1 5 . 1 1 16 16 GLY H H 7 8.697 8.697 8.649 0.048 18219 2110 1 5 . 1 1 17 17 TYR N N 8 121.785 121.785 123.469 -1.684 18219 2111 1 5 . 1 1 17 17 TYR HA H 8 4.150 4.150 4.164 -0.014 18219 2112 1 5 . 1 1 17 17 TYR C C 8 174.180 174.180 177.624 -3.444 18219 2113 1 5 . 1 1 17 17 TYR CA C 8 61.300 61.300 60.218 1.082 18219 2114 1 5 . 1 1 17 17 TYR CB C 8 37.959 37.959 38.302 -0.343 18219 2115 1 5 . 1 1 17 17 TYR H H 8 8.710 8.710 8.167 0.543 18219 2116 1 5 . 1 1 18 18 ALA N N 9 120.233 120.233 120.437 -0.204 18219 2117 1 5 . 1 1 18 18 ALA HA H 9 3.950 3.950 4.035 -0.085 18219 2118 1 5 . 1 1 18 18 ALA C C 9 178.059 178.059 178.883 -0.824 18219 2119 1 5 . 1 1 18 18 ALA CA C 9 54.872 54.872 54.378 0.494 18219 2120 1 5 . 1 1 18 18 ALA CB C 9 17.562 17.562 18.043 -0.481 18219 2121 1 5 . 1 1 18 18 ALA H H 9 7.843 7.843 8.208 -0.365 18219 2122 1 5 . 1 1 19 19 ALA N N 10 121.797 121.797 123.122 -1.325 18219 2123 1 5 . 1 1 19 19 ALA HA H 10 3.950 3.950 4.009 -0.059 18219 2124 1 5 . 1 1 19 19 ALA C C 10 176.191 176.191 179.495 -3.304 18219 2125 1 5 . 1 1 19 19 ALA CA C 10 54.600 54.600 54.941 -0.341 18219 2126 1 5 . 1 1 19 19 ALA CB C 10 17.562 17.562 18.379 -0.817 18219 2127 1 5 . 1 1 19 19 ALA H H 10 8.212 8.212 8.220 -0.008 18219 2128 1 5 . 1 1 20 20 LEU N N 11 119.442 119.442 117.369 2.073 18219 2129 1 5 . 1 1 20 20 LEU HA H 11 3.937 3.937 4.067 -0.130 18219 2130 1 5 . 1 1 20 20 LEU C C 11 176.694 176.694 178.902 -2.208 18219 2131 1 5 . 1 1 20 20 LEU CA C 11 57.800 57.800 58.019 -0.219 18219 2132 1 5 . 1 1 20 20 LEU CB C 11 41.222 41.222 41.099 0.123 18219 2133 1 5 . 1 1 20 20 LEU H H 11 8.065 8.065 8.354 -0.289 18219 2134 1 5 . 1 1 21 21 VAL N N 12 118.323 118.323 120.523 -2.200 18219 2135 1 5 . 1 1 21 21 VAL HA H 12 3.640 3.640 3.636 0.004 18219 2136 1 5 . 1 1 21 21 VAL C C 12 176.536 176.536 178.633 -2.097 18219 2137 1 5 . 1 1 21 21 VAL CA C 12 65.400 65.400 67.015 -1.615 18219 2138 1 5 . 1 1 21 21 VAL CB C 12 31.135 31.135 30.795 0.340 18219 2139 1 5 . 1 1 21 21 VAL H H 12 8.051 8.051 8.397 -0.346 18219 2140 1 5 . 1 1 22 22 THR N N 13 118.298 118.298 116.455 1.843 18219 2141 1 5 . 1 1 22 22 THR HA H 13 4.660 4.660 4.067 0.593 18219 2142 1 5 . 1 1 22 22 THR C C 13 173.734 173.734 176.575 -2.841 18219 2143 1 5 . 1 1 22 22 THR CA C 13 66.300 66.300 67.138 -0.838 18219 2144 1 5 . 1 1 22 22 THR CB C 13 67.775 67.775 68.741 -0.966 18219 2145 1 5 . 1 1 22 22 THR H H 13 7.944 7.944 8.003 -0.059 18219 2146 1 5 . 1 1 23 23 PHE N N 14 121.328 121.328 122.500 -1.172 18219 2147 1 5 . 1 1 23 23 PHE HA H 14 4.340 4.340 4.287 0.053 18219 2148 1 5 . 1 1 23 23 PHE C C 14 174.783 174.783 177.480 -2.697 18219 2149 1 5 . 1 1 23 23 PHE CA C 14 60.500 60.500 61.478 -0.979 18219 2150 1 5 . 1 1 23 23 PHE CB C 14 38.626 38.626 38.906 -0.280 18219 2151 1 5 . 1 1 23 23 PHE H H 14 8.567 8.567 8.424 0.143 18219 2152 1 5 . 1 1 24 24 GLY N N 15 106.871 106.871 105.195 1.676 18219 2153 1 5 . 1 1 24 24 GLY C C 15 172.858 172.858 176.648 -3.790 18219 2154 1 5 . 1 1 24 24 GLY CA C 15 46.900 46.900 47.160 -0.260 18219 2155 1 5 . 1 1 24 24 GLY H H 15 8.475 8.475 9.067 -0.592 18219 2156 1 5 . 1 1 25 25 SER N N 16 116.214 116.214 117.457 -1.243 18219 2157 1 5 . 1 1 25 25 SER HA H 16 4.280 4.280 4.475 -0.195 18219 2158 1 5 . 1 1 25 25 SER CA C 16 60.300 60.300 61.371 -1.071 18219 2159 1 5 . 1 1 25 25 SER CB C 16 62.879 62.879 63.214 -0.335 18219 2160 1 5 . 1 1 25 25 SER H H 16 7.963 7.963 8.005 -0.042 18219 2161 1 5 . 1 1 26 26 ILE N N 17 121.024 121.024 121.810 -0.786 18219 2162 1 5 . 1 1 26 26 ILE HA H 17 3.946 3.946 3.889 0.057 18219 2163 1 5 . 1 1 26 26 ILE C C 17 173.935 173.935 178.185 -4.250 18219 2164 1 5 . 1 1 26 26 ILE CA C 17 63.100 63.100 63.517 -0.417 18219 2165 1 5 . 1 1 26 26 ILE CB C 17 38.107 38.107 37.464 0.643 18219 2166 1 5 . 1 1 26 26 ILE H H 17 7.676 7.676 8.022 -0.346 18219 2167 1 5 . 1 1 27 27 PHE N N 18 117.142 117.142 119.019 -1.877 18219 2168 1 5 . 1 1 27 27 PHE HA H 18 4.430 4.430 4.004 0.426 18219 2169 1 5 . 1 1 27 27 PHE C C 18 173.504 173.504 176.141 -2.637 18219 2170 1 5 . 1 1 27 27 PHE CA C 18 58.500 58.500 61.126 -2.626 18219 2171 1 5 . 1 1 27 27 PHE CB C 18 38.774 38.774 39.124 -0.350 18219 2172 1 5 . 1 1 27 27 PHE H H 18 7.703 7.703 8.344 -0.641 18219 2173 1 5 . 1 1 28 28 GLY N N 19 107.303 107.303 104.937 2.366 18219 2174 1 5 . 1 1 28 28 GLY C C 19 171.593 171.593 173.578 -1.985 18219 2175 1 5 . 1 1 28 28 GLY CA C 19 45.600 45.600 44.882 0.718 18219 2176 1 5 . 1 1 28 28 GLY H H 19 7.722 7.722 7.760 -0.038 18219 2177 1 5 . 1 1 29 29 TYR N N 20 119.862 119.862 123.232 -3.370 18219 2178 1 5 . 1 1 29 29 TYR HA H 20 4.392 4.392 4.278 0.114 18219 2179 1 5 . 1 1 29 29 TYR C C 20 173.174 173.174 176.057 -2.883 18219 2180 1 5 . 1 1 29 29 TYR CA C 20 58.500 58.500 57.624 0.876 18219 2181 1 5 . 1 1 29 29 TYR CB C 20 38.404 38.404 38.427 -0.023 18219 2182 1 5 . 1 1 29 29 TYR H H 20 7.880 7.880 8.448 -0.568 18219 2183 1 5 . 1 1 30 30 LYS N N 21 122.335 122.335 126.927 -4.592 18219 2184 1 5 . 1 1 30 30 LYS HA H 21 4.390 4.390 3.756 0.634 18219 2185 1 5 . 1 1 30 30 LYS C C 21 173.547 173.547 176.376 -2.829 18219 2186 1 5 . 1 1 30 30 LYS CA C 21 55.800 55.800 58.721 -2.921 18219 2187 1 5 . 1 1 30 30 LYS CB C 21 32.396 32.396 32.697 -0.301 18219 2188 1 5 . 1 1 30 30 LYS H H 21 7.934 7.934 8.358 -0.424 18219 2189 1 5 . 1 1 31 31 ARG N N 22 120.612 120.612 113.913 6.699 18219 2190 1 5 . 1 1 31 31 ARG C C 22 173.547 173.547 174.790 -1.243 18219 2191 1 5 . 1 1 31 31 ARG CA C 22 55.834 55.834 55.282 0.552 18219 2192 1 5 . 1 1 31 31 ARG CB C 22 30.101 30.101 32.293 -2.192 18219 2193 1 5 . 1 1 31 31 ARG H H 22 7.905 7.905 7.567 0.338 18219 2194 1 5 . 1 1 32 32 ARG N N 23 121.748 121.748 122.572 -0.824 18219 2195 1 5 . 1 1 32 32 ARG HA H 23 4.310 4.310 4.502 -0.192 18219 2196 1 5 . 1 1 32 32 ARG C C 23 173.863 173.863 177.135 -3.272 18219 2197 1 5 . 1 1 32 32 ARG CA C 23 55.800 55.800 56.958 -1.158 18219 2198 1 5 . 1 1 32 32 ARG CB C 23 30.245 30.245 30.834 -0.589 18219 2199 1 5 . 1 1 32 32 ARG H H 23 8.175 8.175 8.853 -0.678 18219 2200 1 5 . 1 1 33 33 GLY N N 24 109.528 109.528 108.005 1.523 18219 2201 1 5 . 1 1 33 33 GLY C C 24 171.752 171.752 173.954 -2.202 18219 2202 1 5 . 1 1 33 33 GLY CA C 24 44.900 44.900 44.769 0.131 18219 2203 1 5 . 1 1 33 33 GLY H H 24 8.264 8.264 8.627 -0.363 18219 2204 1 5 . 1 1 34 34 GLY N N 25 108.563 108.563 108.008 0.555 18219 2205 1 5 . 1 1 34 34 GLY C C 25 171.701 171.701 174.439 -2.738 18219 2206 1 5 . 1 1 34 34 GLY CA C 25 44.600 44.600 44.447 0.153 18219 2207 1 5 . 1 1 34 34 GLY H H 25 8.208 8.208 7.871 0.337 18219 2208 1 5 . 1 1 35 35 VAL N N 26 121.164 121.164 121.570 -0.406 18219 2209 1 5 . 1 1 35 35 VAL HA H 26 4.010 4.010 4.041 -0.031 18219 2210 1 5 . 1 1 35 35 VAL C C 26 175.888 175.888 176.279 -0.391 18219 2211 1 5 . 1 1 35 35 VAL CA C 26 63.900 63.900 64.873 -0.973 18219 2212 1 5 . 1 1 35 35 VAL CB C 26 30.690 30.690 31.105 -0.415 18219 2213 1 5 . 1 1 35 35 VAL H H 26 8.485 8.485 8.243 0.242 18219 2214 1 5 . 1 1 36 36 PRO C C 27 177.660 177.660 175.789 1.871 18219 2215 1 5 . 1 1 36 36 PRO CA C 27 61.847 61.847 63.917 -2.070 18219 2216 1 5 . 1 1 37 37 SER N N 28 116.023 116.023 115.597 0.426 18219 2217 1 5 . 1 1 37 37 SER HA H 28 4.280 4.280 4.531 -0.251 18219 2218 1 5 . 1 1 37 37 SER CA C 28 61.100 61.100 60.042 1.058 18219 2219 1 5 . 1 1 37 37 SER H H 28 7.948 7.948 8.417 -0.469 18219 2220 1 5 . 1 1 38 38 LEU N N 29 124.029 124.029 121.221 2.808 18219 2221 1 5 . 1 1 38 38 LEU HA H 29 4.170 4.170 4.026 0.144 18219 2222 1 5 . 1 1 38 38 LEU C C 29 176.132 176.132 178.299 -2.167 18219 2223 1 5 . 1 1 38 38 LEU CA C 29 57.500 57.500 58.374 -0.874 18219 2224 1 5 . 1 1 38 38 LEU CB C 29 42.038 42.038 41.181 0.857 18219 2225 1 5 . 1 1 38 38 LEU H H 29 8.201 8.201 7.491 0.710 18219 2226 1 5 . 1 1 39 39 ILE N N 30 117.098 117.098 118.713 -1.615 18219 2227 1 5 . 1 1 39 39 ILE HA H 30 4.370 4.370 3.851 0.519 18219 2228 1 5 . 1 1 39 39 ILE C C 30 176.478 176.478 177.000 -0.522 18219 2229 1 5 . 1 1 39 39 ILE CA C 30 63.079 63.079 62.220 0.859 18219 2230 1 5 . 1 1 39 39 ILE CB C 30 36.973 36.973 37.297 -0.325 18219 2231 1 5 . 1 1 39 39 ILE H H 30 7.662 7.662 8.063 -0.401 18219 2232 1 5 . 1 1 40 40 ALA N N 31 122.447 122.447 122.398 0.049 18219 2233 1 5 . 1 1 40 40 ALA HA H 31 4.034 4.034 4.202 -0.168 18219 2234 1 5 . 1 1 40 40 ALA C C 31 177.067 177.067 179.808 -2.741 18219 2235 1 5 . 1 1 40 40 ALA CA C 31 55.962 55.962 55.489 0.473 18219 2236 1 5 . 1 1 40 40 ALA CB C 31 17.856 17.856 17.985 -0.129 18219 2237 1 5 . 1 1 40 40 ALA H H 31 8.096 8.096 8.254 -0.158 18219 2238 1 5 . 1 1 41 41 GLY N N 32 104.056 104.056 107.947 -3.891 18219 2239 1 5 . 1 1 41 41 GLY C C 32 174.251 174.251 175.844 -1.593 18219 2240 1 5 . 1 1 41 41 GLY CA C 32 46.500 46.500 46.852 -0.352 18219 2241 1 5 . 1 1 41 41 GLY H H 32 8.123 8.123 8.155 -0.032 18219 2242 1 5 . 1 1 42 42 LEU N N 33 123.250 123.250 122.869 0.381 18219 2243 1 5 . 1 1 42 42 LEU HA H 33 3.857 3.857 3.992 -0.135 18219 2244 1 5 . 1 1 42 42 LEU C C 33 176.033 176.033 178.251 -2.218 18219 2245 1 5 . 1 1 42 42 LEU CA C 33 56.668 56.668 58.087 -1.419 18219 2246 1 5 . 1 1 42 42 LEU CB C 33 41.721 41.721 42.111 -0.390 18219 2247 1 5 . 1 1 42 42 LEU H H 33 7.914 7.914 8.157 -0.243 18219 2248 1 5 . 1 1 43 43 PHE N N 34 119.757 119.757 119.205 0.552 18219 2249 1 5 . 1 1 43 43 PHE HA H 34 4.200 4.200 4.115 0.085 18219 2250 1 5 . 1 1 43 43 PHE C C 34 174.374 174.374 177.272 -2.898 18219 2251 1 5 . 1 1 43 43 PHE CA C 34 59.876 59.876 61.285 -1.409 18219 2252 1 5 . 1 1 43 43 PHE CB C 34 38.834 38.834 38.773 0.062 18219 2253 1 5 . 1 1 43 43 PHE H H 34 8.287 8.287 8.171 0.116 18219 2254 1 5 . 1 1 44 44 VAL N N 35 117.791 117.791 118.751 -0.960 18219 2255 1 5 . 1 1 44 44 VAL HA H 35 3.610 3.610 3.361 0.249 18219 2256 1 5 . 1 1 44 44 VAL C C 35 176.205 176.205 178.363 -2.158 18219 2257 1 5 . 1 1 44 44 VAL CA C 35 64.559 64.559 66.795 -2.236 18219 2258 1 5 . 1 1 44 44 VAL CB C 35 31.432 31.432 31.555 -0.123 18219 2259 1 5 . 1 1 44 44 VAL H H 35 8.235 8.235 8.256 -0.021 18219 2260 1 5 . 1 1 45 45 GLY N N 36 108.551 108.551 107.085 1.466 18219 2261 1 5 . 1 1 45 45 GLY C C 36 173.749 173.749 175.605 -1.856 18219 2262 1 5 . 1 1 45 45 GLY CA C 36 46.083 46.083 47.122 -1.039 18219 2263 1 5 . 1 1 45 45 GLY H H 36 8.178 8.178 8.518 -0.340 18219 2264 1 5 . 1 1 46 46 CYS N N 37 121.173 121.173 122.511 -1.338 18219 2265 1 5 . 1 1 46 46 CYS HA H 37 4.180 4.180 4.171 0.009 18219 2266 1 5 . 1 1 46 46 CYS C C 37 173.710 173.710 176.625 -2.915 18219 2267 1 5 . 1 1 46 46 CYS CA C 37 63.000 63.000 63.926 -0.926 18219 2268 1 5 . 1 1 46 46 CYS CB C 37 60.283 60.283 27.854 32.429 18219 2269 1 5 . 1 1 46 46 CYS H H 37 8.253 8.253 8.177 0.076 18219 2270 1 5 . 1 1 47 47 LEU N N 38 120.283 120.283 119.479 0.804 18219 2271 1 5 . 1 1 47 47 LEU HA H 38 4.060 4.060 4.023 0.037 18219 2272 1 5 . 1 1 47 47 LEU C C 38 176.679 176.679 177.949 -1.270 18219 2273 1 5 . 1 1 47 47 LEU CA C 38 56.027 56.027 58.097 -2.070 18219 2274 1 5 . 1 1 47 47 LEU CB C 38 41.464 41.464 40.504 0.960 18219 2275 1 5 . 1 1 47 47 LEU H H 38 7.965 7.965 8.536 -0.571 18219 2276 1 5 . 1 1 48 48 ALA N N 39 122.249 122.249 121.996 0.253 18219 2277 1 5 . 1 1 48 48 ALA HA H 39 4.142 4.142 3.953 0.189 18219 2278 1 5 . 1 1 48 48 ALA C C 39 177.915 177.915 179.520 -1.605 18219 2279 1 5 . 1 1 48 48 ALA CA C 39 53.717 53.717 55.198 -1.481 18219 2280 1 5 . 1 1 48 48 ALA CB C 39 17.985 17.985 18.110 -0.125 18219 2281 1 5 . 1 1 48 48 ALA H H 39 8.066 8.066 7.865 0.201 18219 2282 1 5 . 1 1 49 49 GLY N N 40 107.377 107.377 107.273 0.104 18219 2283 1 5 . 1 1 49 49 GLY C C 40 172.527 172.527 175.725 -3.198 18219 2284 1 5 . 1 1 49 49 GLY CA C 40 45.450 45.450 46.850 -1.400 18219 2285 1 5 . 1 1 49 49 GLY H H 40 8.172 8.172 8.308 -0.136 18219 2286 1 5 . 1 1 50 50 TYR N N 41 122.409 122.409 123.327 -0.918 18219 2287 1 5 . 1 1 50 50 TYR HA H 41 3.799 3.799 4.235 -0.436 18219 2288 1 5 . 1 1 50 50 TYR C C 41 174.208 174.208 177.627 -3.419 18219 2289 1 5 . 1 1 50 50 TYR CA C 41 59.245 59.245 60.725 -1.480 18219 2290 1 5 . 1 1 50 50 TYR CB C 41 37.936 37.936 38.512 -0.576 18219 2291 1 5 . 1 1 50 50 TYR H H 41 7.800 7.800 8.534 -0.734 18219 2292 1 5 . 1 1 51 51 GLY N N 42 106.935 106.935 107.332 -0.397 18219 2293 1 5 . 1 1 51 51 GLY C C 42 172.642 172.642 175.184 -2.542 18219 2294 1 5 . 1 1 51 51 GLY CA C 42 46.265 46.265 45.550 0.715 18219 2295 1 5 . 1 1 51 51 GLY H H 42 8.199 8.199 7.739 0.460 18219 2296 1 5 . 1 1 52 52 ALA N N 43 123.018 123.018 123.737 -0.719 18219 2297 1 5 . 1 1 52 52 ALA HA H 43 4.150 4.150 4.039 0.111 18219 2298 1 5 . 1 1 52 52 ALA C C 43 176.398 176.398 178.796 -2.398 18219 2299 1 5 . 1 1 52 52 ALA CA C 43 52.883 52.883 54.301 -1.418 18219 2300 1 5 . 1 1 52 52 ALA CB C 43 18.241 18.241 18.886 -0.645 18219 2301 1 5 . 1 1 52 52 ALA H H 43 7.758 7.758 7.923 -0.165 18219 2302 1 5 . 1 1 53 53 TYR N N 44 119.664 119.664 116.547 3.117 18219 2303 1 5 . 1 1 53 53 TYR HA H 44 4.318 4.318 3.956 0.362 18219 2304 1 5 . 1 1 53 53 TYR C C 44 174.180 174.180 176.730 -2.550 18219 2305 1 5 . 1 1 53 53 TYR CA C 44 58.593 58.593 61.474 -2.881 18219 2306 1 5 . 1 1 53 53 TYR CB C 44 38.192 38.192 37.298 0.894 18219 2307 1 5 . 1 1 53 53 TYR H H 44 7.920 7.920 8.401 -0.481 18219 2308 1 5 . 1 1 54 54 ARG N N 45 119.516 119.516 117.683 1.833 18219 2309 1 5 . 1 1 54 54 ARG HA H 45 3.930 3.930 4.518 -0.588 18219 2310 1 5 . 1 1 54 54 ARG C C 45 174.423 174.423 175.857 -1.434 18219 2311 1 5 . 1 1 54 54 ARG CA C 45 56.027 56.027 55.576 0.451 18219 2312 1 5 . 1 1 54 54 ARG CB C 45 30.173 30.173 32.150 -1.977 18219 2313 1 5 . 1 1 54 54 ARG H H 45 7.956 7.956 8.462 -0.506 18219 2314 1 5 . 1 1 55 55 VAL N N 46 116.437 116.437 119.126 -2.689 18219 2315 1 5 . 1 1 55 55 VAL HA H 46 4.060 4.060 3.904 0.156 18219 2316 1 5 . 1 1 55 55 VAL C C 46 173.806 173.806 175.480 -1.674 18219 2317 1 5 . 1 1 55 55 VAL CA C 46 62.300 62.300 63.208 -0.908 18219 2318 1 5 . 1 1 55 55 VAL CB C 46 31.521 31.521 31.965 -0.444 18219 2319 1 5 . 1 1 55 55 VAL H H 46 7.489 7.489 6.994 0.495 18219 2320 1 5 . 1 1 56 56 SER N N 47 117.185 117.185 113.189 3.996 18219 2321 1 5 . 1 1 56 56 SER HA H 47 4.401 4.401 4.329 0.072 18219 2322 1 5 . 1 1 56 56 SER C C 47 172.074 172.074 175.762 -3.688 18219 2323 1 5 . 1 1 56 56 SER CA C 47 58.133 58.133 59.375 -1.242 18219 2324 1 5 . 1 1 56 56 SER CB C 47 63.468 63.468 63.625 -0.157 18219 2325 1 5 . 1 1 56 56 SER H H 47 7.728 7.728 7.467 0.261 18219 2326 1 5 . 1 1 57 57 ASN N N 48 121.049 121.049 126.040 -4.991 18219 2327 1 5 . 1 1 57 57 ASN HA H 48 4.590 4.590 4.413 0.177 18219 2328 1 5 . 1 1 57 57 ASN CA C 48 53.600 53.600 56.165 -2.565 18219 2329 1 5 . 1 1 57 57 ASN CB C 48 38.641 38.641 36.970 1.671 18219 2330 1 5 . 1 1 57 57 ASN H H 48 8.228 8.228 9.046 -0.818 18219 2331 1 5 . 1 1 58 58 ASP N N 49 120.276 120.276 122.403 -2.127 18219 2332 1 5 . 1 1 58 58 ASP HA H 49 4.530 4.530 4.522 0.008 18219 2333 1 5 . 1 1 58 58 ASP CA C 49 54.202 54.202 55.390 -1.188 18219 2334 1 5 . 1 1 58 58 ASP CB C 49 40.374 40.374 41.658 -1.284 18219 2335 1 5 . 1 1 58 58 ASP H H 49 8.192 8.192 8.561 -0.369 18219 2336 1 5 . 1 1 59 59 LYS N N 50 120.660 120.660 116.300 4.360 18219 2337 1 5 . 1 1 59 59 LYS HA H 50 4.200 4.200 4.455 -0.255 18219 2338 1 5 . 1 1 59 59 LYS C C 50 173.474 173.474 174.352 -0.878 18219 2339 1 5 . 1 1 59 59 LYS CA C 50 56.300 56.300 54.951 1.349 18219 2340 1 5 . 1 1 59 59 LYS CB C 50 32.034 32.034 35.469 -3.436 18219 2341 1 5 . 1 1 59 59 LYS H H 50 8.003 8.003 7.446 0.557 18219 2342 1 5 . 1 1 60 60 ARG N N 51 121.278 121.278 119.789 1.489 18219 2343 1 5 . 1 1 60 60 ARG HA H 51 4.200 4.200 4.077 0.123 18219 2344 1 5 . 1 1 60 60 ARG C C 51 173.303 173.303 175.245 -1.942 18219 2345 1 5 . 1 1 60 60 ARG CA C 51 56.283 56.283 57.368 -1.085 18219 2346 1 5 . 1 1 60 60 ARG CB C 51 30.238 30.238 30.294 -0.056 18219 2347 1 5 . 1 1 60 60 ARG H H 51 8.091 8.091 8.479 -0.388 18219 2348 1 5 . 1 1 61 61 ASP N N 52 121.185 121.185 122.148 -0.963 18219 2349 1 5 . 1 1 61 61 ASP HA H 52 4.615 4.615 4.652 -0.037 18219 2350 1 5 . 1 1 61 61 ASP C C 52 173.777 173.777 178.043 -4.266 18219 2351 1 5 . 1 1 61 61 ASP CA C 52 53.979 53.979 55.675 -1.696 18219 2352 1 5 . 1 1 61 61 ASP CB C 52 40.245 40.245 41.508 -1.263 18219 2353 1 5 . 1 1 61 61 ASP H H 52 8.261 8.261 8.588 -0.327 18219 2354 1 5 . 1 1 62 62 VAL N N 53 121.902 121.902 120.102 1.800 18219 2355 1 5 . 1 1 62 62 VAL HA H 53 3.950 3.950 4.121 -0.171 18219 2356 1 5 . 1 1 62 62 VAL C C 53 173.279 173.279 177.031 -3.752 18219 2357 1 5 . 1 1 62 62 VAL CA C 53 63.176 63.176 64.030 -0.854 18219 2358 1 5 . 1 1 62 62 VAL CB C 53 32.099 32.099 32.156 -0.056 18219 2359 1 5 . 1 1 62 62 VAL H H 53 7.997 7.997 8.022 -0.025 18219 2360 1 5 . 1 1 63 63 LYS N N 54 123.522 123.522 121.582 1.940 18219 2361 1 5 . 1 1 63 63 LYS HA H 54 4.260 4.260 4.158 0.102 18219 2362 1 5 . 1 1 63 63 LYS C C 54 174.481 174.481 178.538 -4.057 18219 2363 1 5 . 1 1 63 63 LYS CA C 54 56.347 56.347 59.572 -3.225 18219 2364 1 5 . 1 1 63 63 LYS CB C 54 32.099 32.099 32.225 -0.126 18219 2365 1 5 . 1 1 63 63 LYS H H 54 8.054 8.054 8.317 -0.263 18219 2366 1 5 . 1 1 64 64 VAL N N 55 120.647 120.647 117.959 2.688 18219 2367 1 5 . 1 1 64 64 VAL HA H 55 3.947 3.947 3.823 0.124 18219 2368 1 5 . 1 1 64 64 VAL C C 55 174.955 174.955 177.558 -2.603 18219 2369 1 5 . 1 1 64 64 VAL CA C 55 64.600 64.600 65.512 -0.912 18219 2370 1 5 . 1 1 64 64 VAL CB C 55 31.877 31.877 30.970 0.907 18219 2371 1 5 . 1 1 64 64 VAL H H 55 8.225 8.225 8.027 0.198 18219 2372 1 5 . 1 1 65 65 SER N N 56 117.785 117.785 116.427 1.358 18219 2373 1 5 . 1 1 65 65 SER HA H 56 4.390 4.390 4.142 0.248 18219 2374 1 5 . 1 1 65 65 SER C C 56 172.300 172.300 176.668 -4.368 18219 2375 1 5 . 1 1 65 65 SER CA C 56 60.000 60.000 62.101 -2.101 18219 2376 1 5 . 1 1 65 65 SER CB C 56 62.879 62.879 63.000 -0.121 18219 2377 1 5 . 1 1 65 65 SER H H 56 8.260 8.260 7.658 0.602 18219 2378 1 5 . 1 1 66 66 LEU N N 57 123.318 123.318 122.233 1.085 18219 2379 1 5 . 1 1 66 66 LEU HA H 57 4.090 4.090 4.155 -0.065 18219 2380 1 5 . 1 1 66 66 LEU C C 57 175.932 175.932 178.254 -2.322 18219 2381 1 5 . 1 1 66 66 LEU CA C 57 57.502 57.502 58.326 -0.824 18219 2382 1 5 . 1 1 66 66 LEU CB C 57 41.721 41.721 42.236 -0.515 18219 2383 1 5 . 1 1 66 66 LEU H H 57 8.091 8.091 8.108 -0.017 18219 2384 1 5 . 1 1 67 67 PHE N N 58 118.020 118.020 118.775 -0.755 18219 2385 1 5 . 1 1 67 67 PHE HA H 58 4.330 4.330 4.001 0.329 18219 2386 1 5 . 1 1 67 67 PHE C C 58 174.912 174.912 177.483 -2.571 18219 2387 1 5 . 1 1 67 67 PHE CA C 58 60.600 60.600 61.738 -1.138 18219 2388 1 5 . 1 1 67 67 PHE CB C 58 38.552 38.552 38.718 -0.166 18219 2389 1 5 . 1 1 67 67 PHE H H 58 8.066 8.066 8.736 -0.670 18219 2390 1 5 . 1 1 68 68 THR N N 59 115.324 115.324 116.378 -1.054 18219 2391 1 5 . 1 1 68 68 THR HA H 59 4.310 4.310 4.183 0.127 18219 2392 1 5 . 1 1 68 68 THR C C 59 173.380 173.380 176.349 -2.969 18219 2393 1 5 . 1 1 68 68 THR CA C 59 66.313 66.313 67.448 -1.135 18219 2394 1 5 . 1 1 68 68 THR CB C 59 67.700 67.700 68.680 -0.980 18219 2395 1 5 . 1 1 68 68 THR H H 59 8.287 8.287 8.460 -0.173 18219 2396 1 5 . 1 1 69 69 ALA N N 60 123.621 123.621 124.681 -1.060 18219 2397 1 5 . 1 1 69 69 ALA HA H 60 4.280 4.280 4.083 0.197 18219 2398 1 5 . 1 1 69 69 ALA C C 60 176.978 176.978 179.879 -2.901 18219 2399 1 5 . 1 1 69 69 ALA CA C 60 55.100 55.100 55.105 -0.005 18219 2400 1 5 . 1 1 69 69 ALA CB C 60 17.728 17.728 18.246 -0.518 18219 2401 1 5 . 1 1 69 69 ALA H H 60 7.983 7.983 8.106 -0.123 18219 2402 1 5 . 1 1 70 70 PHE N N 61 118.520 118.520 118.493 0.027 18219 2403 1 5 . 1 1 70 70 PHE HA H 61 4.260 4.260 4.179 0.081 18219 2404 1 5 . 1 1 70 70 PHE C C 61 175.369 175.369 177.271 -1.902 18219 2405 1 5 . 1 1 70 70 PHE CA C 61 60.179 60.179 61.858 -1.679 18219 2406 1 5 . 1 1 70 70 PHE CB C 61 38.706 38.706 39.194 -0.488 18219 2407 1 5 . 1 1 70 70 PHE H H 61 8.007 8.007 8.782 -0.775 18219 2408 1 5 . 1 1 71 71 PHE N N 62 122.314 122.314 120.318 1.996 18219 2409 1 5 . 1 1 71 71 PHE HA H 62 4.000 4.000 4.078 -0.078 18219 2410 1 5 . 1 1 71 71 PHE C C 62 174.697 174.697 177.266 -2.569 18219 2411 1 5 . 1 1 71 71 PHE CA C 62 60.517 60.517 62.147 -1.630 18219 2412 1 5 . 1 1 71 71 PHE CB C 62 38.770 38.770 38.946 -0.176 18219 2413 1 5 . 1 1 71 71 PHE H H 62 8.546 8.546 8.136 0.410 18219 2414 1 5 . 1 1 72 72 LEU N N 63 119.399 119.399 119.837 -0.438 18219 2415 1 5 . 1 1 72 72 LEU HA H 63 3.870 3.870 3.742 0.128 18219 2416 1 5 . 1 1 72 72 LEU C C 63 175.774 175.774 178.580 -2.806 18219 2417 1 5 . 1 1 72 72 LEU CA C 63 56.925 56.925 58.880 -1.956 18219 2418 1 5 . 1 1 72 72 LEU CB C 63 41.207 41.207 41.657 -0.450 18219 2419 1 5 . 1 1 72 72 LEU H H 63 8.396 8.396 8.741 -0.345 18219 2420 1 5 . 1 1 73 73 ALA N N 64 120.221 120.221 120.644 -0.423 18219 2421 1 5 . 1 1 73 73 ALA HA H 64 3.960 3.960 3.842 0.118 18219 2422 1 5 . 1 1 73 73 ALA C C 64 177.267 177.267 179.655 -2.388 18219 2423 1 5 . 1 1 73 73 ALA CA C 64 54.600 54.600 55.493 -0.894 18219 2424 1 5 . 1 1 73 73 ALA CB C 64 17.784 17.784 17.741 0.043 18219 2425 1 5 . 1 1 73 73 ALA H H 64 8.025 8.025 8.053 -0.028 18219 2426 1 5 . 1 1 74 74 THR N N 65 113.648 113.648 115.371 -1.723 18219 2427 1 5 . 1 1 74 74 THR HA H 65 3.980 3.980 3.831 0.149 18219 2428 1 5 . 1 1 74 74 THR CA C 65 66.291 66.291 66.874 -0.583 18219 2429 1 5 . 1 1 74 74 THR CB C 65 67.914 67.914 68.781 -0.867 18219 2430 1 5 . 1 1 74 74 THR H H 65 7.717 7.717 7.718 -0.001 18219 2431 1 5 . 1 1 75 75 ILE N N 66 120.291 120.291 121.211 -0.920 18219 2432 1 5 . 1 1 75 75 ILE HA H 66 3.740 3.740 3.472 0.268 18219 2433 1 5 . 1 1 75 75 ILE C C 66 174.951 174.951 178.482 -3.531 18219 2434 1 5 . 1 1 75 75 ILE CA C 66 64.880 64.880 64.088 0.792 18219 2435 1 5 . 1 1 75 75 ILE CB C 66 37.166 37.166 37.125 0.041 18219 2436 1 5 . 1 1 75 75 ILE H H 66 7.738 7.738 7.960 -0.222 18219 2437 1 5 . 1 1 76 76 MET N N 67 117.618 117.618 116.980 0.638 18219 2438 1 5 . 1 1 76 76 MET HA H 67 4.220 4.220 4.078 0.142 18219 2439 1 5 . 1 1 76 76 MET C C 67 175.142 175.142 178.428 -3.286 18219 2440 1 5 . 1 1 76 76 MET CA C 67 56.723 56.723 57.882 -1.159 18219 2441 1 5 . 1 1 76 76 MET CB C 67 31.951 31.951 32.796 -0.845 18219 2442 1 5 . 1 1 76 76 MET H H 67 7.823 7.823 8.516 -0.693 18219 2443 1 5 . 1 1 77 77 GLY N N 68 107.110 107.110 105.356 1.754 18219 2444 1 5 . 1 1 77 77 GLY C C 68 172.260 172.260 175.758 -3.498 18219 2445 1 5 . 1 1 77 77 GLY CA C 68 45.800 45.800 45.969 -0.169 18219 2446 1 5 . 1 1 77 77 GLY H H 68 7.937 7.937 8.281 -0.344 18219 2447 1 5 . 1 1 78 78 VAL N N 69 120.431 120.431 119.437 0.994 18219 2448 1 5 . 1 1 78 78 VAL HA H 69 4.220 4.220 3.729 0.491 18219 2449 1 5 . 1 1 78 78 VAL CA C 69 63.900 63.900 65.024 -1.124 18219 2450 1 5 . 1 1 78 78 VAL CB C 69 31.506 31.506 31.665 -0.159 18219 2451 1 5 . 1 1 78 78 VAL H H 69 7.697 7.697 8.442 -0.745 18219 2452 1 5 . 1 1 79 79 ARG N N 70 121.420 121.420 118.452 2.968 18219 2453 1 5 . 1 1 79 79 ARG HA H 70 3.810 3.810 4.562 -0.752 18219 2454 1 5 . 1 1 79 79 ARG CA C 70 56.400 56.400 55.195 1.205 18219 2455 1 5 . 1 1 79 79 ARG CB C 70 30.097 30.097 29.957 0.140 18219 2456 1 5 . 1 1 79 79 ARG H H 70 7.889 7.889 7.577 0.312 18219 2457 1 5 . 1 1 80 80 PHE N N 71 119.949 119.949 126.343 -6.394 18219 2458 1 5 . 1 1 80 80 PHE HA H 71 4.510 4.510 4.608 -0.098 18219 2459 1 5 . 1 1 80 80 PHE CA C 71 58.600 58.600 58.185 0.415 18219 2460 1 5 . 1 1 80 80 PHE CB C 71 39.145 39.145 39.046 0.099 18219 2461 1 5 . 1 1 80 80 PHE H H 71 8.101 8.101 9.094 -0.993 18219 2462 1 5 . 1 1 81 81 LYS N N 72 122.193 122.193 124.525 -2.332 18219 2463 1 5 . 1 1 81 81 LYS CA C 72 56.800 56.800 56.643 0.157 18219 2464 1 5 . 1 1 81 81 LYS CB C 72 32.322 32.322 33.800 -1.478 18219 2465 1 5 . 1 1 81 81 LYS H H 72 8.090 8.090 8.464 -0.374 18219 2466 1 5 . 1 1 82 82 ARG N N 73 119.650 119.650 119.977 -0.327 18219 2467 1 5 . 1 1 82 82 ARG CA C 73 56.089 56.089 56.322 -0.233 18219 2468 1 5 . 1 1 82 82 ARG CB C 73 30.171 30.171 30.487 -0.316 18219 2469 1 5 . 1 1 82 82 ARG H H 73 8.052 8.052 8.358 -0.306 18219 2470 1 5 . 1 1 83 83 SER N N 74 115.734 115.734 118.028 -2.294 18219 2471 1 5 . 1 1 83 83 SER CA C 74 58.355 58.355 57.418 0.937 18219 2472 1 5 . 1 1 83 83 SER CB C 74 63.404 63.404 65.092 -1.688 18219 2473 1 5 . 1 1 83 83 SER H H 74 7.912 7.912 7.715 0.197 18219 2474 1 5 . 1 1 84 84 LYS N N 75 122.370 122.370 121.384 0.986 18219 2475 1 5 . 1 1 84 84 LYS CA C 75 56.135 56.135 56.592 -0.457 18219 2476 1 5 . 1 1 84 84 LYS CB C 75 32.175 32.175 33.025 -0.850 18219 2477 1 5 . 1 1 84 84 LYS H H 75 8.067 8.067 8.237 -0.170 18219 2478 1 5 . 1 1 86 86 ILE N N 77 119.592 119.592 118.597 0.995 18219 2479 1 5 . 1 1 86 86 ILE HA H 77 3.810 3.810 3.967 -0.157 18219 2480 1 5 . 1 1 86 86 ILE CA C 77 64.900 64.900 62.112 2.788 18219 2481 1 5 . 1 1 86 86 ILE CB C 77 39.145 39.145 38.518 0.627 18219 2482 1 5 . 1 1 86 86 ILE H H 77 7.837 7.837 7.855 -0.018 18219 2483 1 5 . 1 1 87 87 MET N N 78 121.645 121.645 118.943 2.702 18219 2484 1 5 . 1 1 87 87 MET CA C 78 52.982 52.982 59.666 -6.684 18219 2485 1 5 . 1 1 87 87 MET CB C 78 32.173 32.173 30.815 1.358 18219 2486 1 5 . 1 1 87 87 MET H H 78 7.950 7.950 7.990 -0.040 18219 2487 1 5 . 1 1 88 88 PRO HA H 79 4.140 4.140 4.561 -0.421 18219 2488 1 5 . 1 1 88 88 PRO C C 79 173.921 173.921 176.089 -2.168 18219 2489 1 5 . 1 1 88 88 PRO CA C 79 62.800 62.800 62.493 0.307 18219 2490 1 5 . 1 1 88 88 PRO CB C 79 31.136 31.136 29.483 1.653 18219 2491 1 5 . 1 1 89 89 ALA N N 80 124.431 124.431 125.520 -1.089 18219 2492 1 5 . 1 1 89 89 ALA HA H 80 4.400 4.400 4.029 0.371 18219 2493 1 5 . 1 1 89 89 ALA C C 80 176.234 176.234 179.199 -2.965 18219 2494 1 5 . 1 1 89 89 ALA CA C 80 53.300 53.300 55.689 -2.389 18219 2495 1 5 . 1 1 89 89 ALA CB C 80 18.498 18.498 18.672 -0.174 18219 2496 1 5 . 1 1 89 89 ALA H H 80 8.320 8.320 8.391 -0.071 18219 2497 1 5 . 1 1 90 90 GLY N N 81 106.834 106.834 106.058 0.776 18219 2498 1 5 . 1 1 90 90 GLY C C 81 172.398 172.398 175.862 -3.464 18219 2499 1 5 . 1 1 90 90 GLY CA C 81 45.600 45.600 46.854 -1.254 18219 2500 1 5 . 1 1 90 90 GLY H H 81 8.458 8.458 8.731 -0.273 18219 2501 1 5 . 1 1 91 91 LEU N N 82 121.043 121.043 122.144 -1.101 18219 2502 1 5 . 1 1 91 91 LEU HA H 82 4.200 4.200 3.999 0.201 18219 2503 1 5 . 1 1 91 91 LEU C C 82 174.783 174.783 179.048 -4.265 18219 2504 1 5 . 1 1 91 91 LEU CA C 82 56.300 56.300 57.658 -1.358 18219 2505 1 5 . 1 1 91 91 LEU CB C 82 42.106 42.106 42.238 -0.132 18219 2506 1 5 . 1 1 91 91 LEU H H 82 7.687 7.687 7.632 0.055 18219 2507 1 5 . 1 1 92 92 VAL N N 83 114.737 114.737 115.086 -0.349 18219 2508 1 5 . 1 1 92 92 VAL HA H 83 3.980 3.980 3.570 0.410 18219 2509 1 5 . 1 1 92 92 VAL C C 83 173.634 173.634 177.471 -3.837 18219 2510 1 5 . 1 1 92 92 VAL CA C 83 62.400 62.400 66.440 -4.040 18219 2511 1 5 . 1 1 92 92 VAL CB C 83 31.585 31.585 31.130 0.456 18219 2512 1 5 . 1 1 92 92 VAL H H 83 7.602 7.602 7.891 -0.289 18219 2513 1 5 . 1 1 93 93 ALA N N 84 124.320 124.320 121.889 2.431 18219 2514 1 5 . 1 1 93 93 ALA HA H 84 4.150 4.150 3.984 0.166 18219 2515 1 5 . 1 1 93 93 ALA C C 84 175.746 175.746 179.789 -4.043 18219 2516 1 5 . 1 1 93 93 ALA CA C 84 53.300 53.300 55.325 -2.025 18219 2517 1 5 . 1 1 93 93 ALA CB C 84 18.241 18.241 17.806 0.435 18219 2518 1 5 . 1 1 93 93 ALA H H 84 7.891 7.891 8.220 -0.329 18219 2519 1 5 . 1 1 94 94 GLY N N 85 106.807 106.807 107.118 -0.311 18219 2520 1 5 . 1 1 94 94 GLY C C 85 171.752 171.752 175.808 -4.056 18219 2521 1 5 . 1 1 94 94 GLY CA C 85 45.249 45.249 46.496 -1.247 18219 2522 1 5 . 1 1 94 94 GLY H H 85 8.204 8.204 8.366 -0.162 18219 2523 1 5 . 1 1 95 95 LEU N N 86 121.266 121.266 122.750 -1.484 18219 2524 1 5 . 1 1 95 95 LEU HA H 86 4.380 4.380 4.131 0.249 18219 2525 1 5 . 1 1 95 95 LEU C C 86 173.702 173.702 179.112 -5.410 18219 2526 1 5 . 1 1 95 95 LEU CA C 86 55.000 55.000 57.585 -2.585 18219 2527 1 5 . 1 1 95 95 LEU CB C 86 42.298 42.298 41.398 0.900 18219 2528 1 5 . 1 1 95 95 LEU H H 86 7.718 7.718 7.993 -0.275 18219 2529 1 5 . 1 1 96 96 SER N N 87 115.658 115.658 115.408 0.250 18219 2530 1 5 . 1 1 96 96 SER HA H 87 4.370 4.370 4.190 0.180 18219 2531 1 5 . 1 1 96 96 SER C C 87 172.479 172.479 176.736 -4.257 18219 2532 1 5 . 1 1 96 96 SER CA C 87 57.200 57.200 62.386 -5.186 18219 2533 1 5 . 1 1 96 96 SER CB C 87 64.174 64.174 63.221 0.953 18219 2534 1 5 . 1 1 96 96 SER H H 87 7.659 7.659 8.231 -0.572 18219 2535 1 5 . 1 1 97 97 LEU N N 88 123.720 123.720 122.175 1.545 18219 2536 1 5 . 1 1 97 97 LEU HA H 88 4.600 4.600 3.924 0.676 18219 2537 1 5 . 1 1 97 97 LEU C C 88 175.932 175.932 178.868 -2.936 18219 2538 1 5 . 1 1 97 97 LEU CA C 88 57.600 57.600 58.156 -0.556 18219 2539 1 5 . 1 1 97 97 LEU CB C 88 41.400 41.400 41.833 -0.433 18219 2540 1 5 . 1 1 97 97 LEU H H 88 8.733 8.733 8.208 0.525 18219 2541 1 5 . 1 1 98 98 MET N N 89 116.684 116.684 119.165 -2.481 18219 2542 1 5 . 1 1 98 98 MET HA H 89 4.280 4.280 4.098 0.182 18219 2543 1 5 . 1 1 98 98 MET C C 89 175.789 175.789 177.984 -2.195 18219 2544 1 5 . 1 1 98 98 MET CA C 89 56.915 56.915 58.723 -1.808 18219 2545 1 5 . 1 1 98 98 MET CB C 89 31.007 31.007 32.676 -1.669 18219 2546 1 5 . 1 1 98 98 MET H H 89 8.342 8.342 8.363 -0.021 18219 2547 1 5 . 1 1 99 99 MET N N 90 119.182 119.182 119.390 -0.208 18219 2548 1 5 . 1 1 99 99 MET HA H 90 4.110 4.110 4.061 0.049 18219 2549 1 5 . 1 1 99 99 MET C C 90 175.588 175.588 178.861 -3.273 18219 2550 1 5 . 1 1 99 99 MET CA C 90 57.951 57.951 59.019 -1.068 18219 2551 1 5 . 1 1 99 99 MET CB C 90 32.226 32.226 32.413 -0.187 18219 2552 1 5 . 1 1 99 99 MET H H 90 7.720 7.720 8.033 -0.313 18219 2553 1 5 . 1 1 100 100 ILE N N 91 119.077 119.077 118.998 0.079 18219 2554 1 5 . 1 1 100 100 ILE HA H 91 4.110 4.110 3.813 0.297 18219 2555 1 5 . 1 1 100 100 ILE C C 91 174.634 174.634 177.459 -2.825 18219 2556 1 5 . 1 1 100 100 ILE CA C 91 64.100 64.100 64.439 -0.339 18219 2557 1 5 . 1 1 100 100 ILE CB C 91 37.143 37.143 38.050 -0.907 18219 2558 1 5 . 1 1 100 100 ILE H H 91 7.662 7.662 8.252 -0.590 18219 2559 1 5 . 1 1 101 101 LEU N N 92 119.646 119.646 120.606 -0.960 18219 2560 1 5 . 1 1 101 101 LEU HA H 92 4.530 4.530 3.962 0.568 18219 2561 1 5 . 1 1 101 101 LEU C C 92 175.430 175.430 178.637 -3.207 18219 2562 1 5 . 1 1 101 101 LEU CA C 92 57.800 57.800 57.787 0.013 18219 2563 1 5 . 1 1 101 101 LEU CB C 92 40.758 40.758 41.759 -1.001 18219 2564 1 5 . 1 1 101 101 LEU H H 92 8.142 8.142 7.910 0.232 18219 2565 1 5 . 1 1 102 102 ARG N N 93 116.394 116.394 118.241 -1.847 18219 2566 1 5 . 1 1 102 102 ARG HA H 93 4.140 4.140 4.316 -0.176 18219 2567 1 5 . 1 1 102 102 ARG C C 93 175.961 175.961 178.109 -2.148 18219 2568 1 5 . 1 1 102 102 ARG CA C 93 59.100 59.100 58.409 0.691 18219 2569 1 5 . 1 1 102 102 ARG CB C 93 29.404 29.404 30.931 -1.527 18219 2570 1 5 . 1 1 102 102 ARG H H 93 7.893 7.893 8.255 -0.362 18219 2571 1 5 . 1 1 103 103 LEU N N 94 119.114 119.114 122.235 -3.121 18219 2572 1 5 . 1 1 103 103 LEU HA H 94 4.110 4.110 4.120 -0.010 18219 2573 1 5 . 1 1 103 103 LEU C C 94 175.889 175.889 178.293 -2.404 18219 2574 1 5 . 1 1 103 103 LEU CA C 94 57.300 57.300 57.781 -0.481 18219 2575 1 5 . 1 1 103 103 LEU CB C 94 41.296 41.296 41.722 -0.426 18219 2576 1 5 . 1 1 103 103 LEU H H 94 7.622 7.622 8.003 -0.381 18219 2577 1 5 . 1 1 104 104 VAL N N 95 117.704 117.704 120.344 -2.640 18219 2578 1 5 . 1 1 104 104 VAL HA H 95 3.530 3.530 3.737 -0.207 18219 2579 1 5 . 1 1 104 104 VAL C C 95 175.042 175.042 177.565 -2.523 18219 2580 1 5 . 1 1 104 104 VAL CA C 95 66.419 66.419 65.474 0.945 18219 2581 1 5 . 1 1 104 104 VAL CB C 95 31.357 31.357 31.678 -0.321 18219 2582 1 5 . 1 1 104 104 VAL H H 95 8.026 8.026 7.966 0.060 18219 2583 1 5 . 1 1 105 105 LEU N N 96 117.185 117.185 117.443 -0.258 18219 2584 1 5 . 1 1 105 105 LEU HA H 96 3.980 3.980 4.315 -0.335 18219 2585 1 5 . 1 1 105 105 LEU C C 96 176.579 176.579 177.642 -1.063 18219 2586 1 5 . 1 1 105 105 LEU CA C 96 56.800 56.800 56.189 0.611 18219 2587 1 5 . 1 1 105 105 LEU CB C 96 40.951 40.951 42.334 -1.383 18219 2588 1 5 . 1 1 105 105 LEU H H 96 7.893 7.893 7.514 0.379 18219 2589 1 5 . 1 1 106 106 LEU N N 97 118.471 118.471 117.651 0.820 18219 2590 1 5 . 1 1 106 106 LEU HA H 97 4.180 4.180 3.924 0.256 18219 2591 1 5 . 1 1 106 106 LEU C C 97 175.802 175.802 176.003 -0.201 18219 2592 1 5 . 1 1 106 106 LEU CA C 97 56.300 56.300 56.078 0.222 18219 2593 1 5 . 1 1 106 106 LEU CB C 97 41.592 41.592 40.552 1.040 18219 2594 1 5 . 1 1 106 106 LEU H H 97 7.545 7.545 8.390 -0.845 18219 2595 1 5 . 1 1 107 107 LEU N N 98 118.162 118.162 114.812 3.350 18219 2596 1 5 . 1 1 107 107 LEU HA H 98 4.230 4.230 4.403 -0.173 18219 2597 1 5 . 1 1 107 107 LEU C C 98 174.174 174.174 176.812 -2.638 18219 2598 1 5 . 1 1 107 107 LEU CA C 98 56.283 56.283 55.060 1.223 18219 2599 1 5 . 1 1 107 107 LEU CB C 98 42.362 42.362 41.853 0.509 18219 2600 1 5 . 1 1 107 107 LEU H H 98 7.688 7.688 7.909 -0.221 18219 2601 1 6 . 1 1 11 11 ASP N N 2 120.536 120.536 123.167 -2.631 18219 2602 1 6 . 1 1 11 11 ASP CA C 2 55.918 55.918 54.046 1.872 18219 2603 1 6 . 1 1 11 11 ASP CB C 2 37.959 37.959 42.489 -4.530 18219 2604 1 6 . 1 1 11 11 ASP H H 2 7.863 7.863 8.436 -0.573 18219 2605 1 6 . 1 1 12 12 LEU N N 3 121.414 121.414 123.776 -2.362 18219 2606 1 6 . 1 1 12 12 LEU C C 3 176.162 176.162 178.440 -2.278 18219 2607 1 6 . 1 1 12 12 LEU CA C 3 57.600 57.600 55.395 2.205 18219 2608 1 6 . 1 1 12 12 LEU CB C 3 41.657 41.657 42.413 -0.755 18219 2609 1 6 . 1 1 12 12 LEU H H 3 8.285 8.285 8.370 -0.085 18219 2610 1 6 . 1 1 13 13 ILE N N 4 118.854 118.854 120.075 -1.221 18219 2611 1 6 . 1 1 13 13 ILE HA H 4 3.740 3.740 3.917 -0.177 18219 2612 1 6 . 1 1 13 13 ILE C C 4 175.228 175.228 176.671 -1.443 18219 2613 1 6 . 1 1 13 13 ILE CA C 4 64.500 64.500 63.121 1.379 18219 2614 1 6 . 1 1 13 13 ILE CB C 4 37.102 37.102 37.992 -0.890 18219 2615 1 6 . 1 1 13 13 ILE H H 4 8.031 8.031 7.774 0.257 18219 2616 1 6 . 1 1 14 14 GLY N N 5 107.478 107.478 107.185 0.293 18219 2617 1 6 . 1 1 14 14 GLY C C 5 174.424 174.424 174.465 -0.041 18219 2618 1 6 . 1 1 14 14 GLY CA C 5 47.059 47.059 47.047 0.012 18219 2619 1 6 . 1 1 14 14 GLY H H 5 8.148 8.148 8.631 -0.483 18219 2620 1 6 . 1 1 15 15 PHE N N 6 122.774 122.774 119.530 3.244 18219 2621 1 6 . 1 1 15 15 PHE HA H 6 4.480 4.480 4.755 -0.275 18219 2622 1 6 . 1 1 15 15 PHE C C 6 175.113 175.113 177.111 -1.998 18219 2623 1 6 . 1 1 15 15 PHE CA C 6 60.017 60.017 59.974 0.043 18219 2624 1 6 . 1 1 15 15 PHE CB C 6 38.774 38.774 39.575 -0.801 18219 2625 1 6 . 1 1 15 15 PHE H H 6 8.194 8.194 8.113 0.081 18219 2626 1 6 . 1 1 16 16 GLY N N 7 107.938 107.938 108.319 -0.381 18219 2627 1 6 . 1 1 16 16 GLY C C 7 171.838 171.838 175.685 -3.847 18219 2628 1 6 . 1 1 16 16 GLY CA C 7 47.100 47.100 47.459 -0.360 18219 2629 1 6 . 1 1 16 16 GLY H H 7 8.697 8.697 8.504 0.193 18219 2630 1 6 . 1 1 17 17 TYR N N 8 121.785 121.785 122.692 -0.907 18219 2631 1 6 . 1 1 17 17 TYR HA H 8 4.150 4.150 4.243 -0.093 18219 2632 1 6 . 1 1 17 17 TYR C C 8 174.180 174.180 177.740 -3.560 18219 2633 1 6 . 1 1 17 17 TYR CA C 8 61.300 61.300 60.955 0.345 18219 2634 1 6 . 1 1 17 17 TYR CB C 8 37.959 37.959 38.243 -0.284 18219 2635 1 6 . 1 1 17 17 TYR H H 8 8.710 8.710 8.313 0.397 18219 2636 1 6 . 1 1 18 18 ALA N N 9 120.233 120.233 119.950 0.283 18219 2637 1 6 . 1 1 18 18 ALA HA H 9 3.950 3.950 4.145 -0.195 18219 2638 1 6 . 1 1 18 18 ALA C C 9 178.059 178.059 179.027 -0.968 18219 2639 1 6 . 1 1 18 18 ALA CA C 9 54.872 54.872 54.794 0.079 18219 2640 1 6 . 1 1 18 18 ALA CB C 9 17.562 17.562 17.489 0.073 18219 2641 1 6 . 1 1 18 18 ALA H H 9 7.843 7.843 8.759 -0.916 18219 2642 1 6 . 1 1 19 19 ALA N N 10 121.797 121.797 122.956 -1.159 18219 2643 1 6 . 1 1 19 19 ALA HA H 10 3.950 3.950 4.026 -0.076 18219 2644 1 6 . 1 1 19 19 ALA C C 10 176.191 176.191 179.386 -3.195 18219 2645 1 6 . 1 1 19 19 ALA CA C 10 54.600 54.600 54.907 -0.307 18219 2646 1 6 . 1 1 19 19 ALA CB C 10 17.562 17.562 18.212 -0.650 18219 2647 1 6 . 1 1 19 19 ALA H H 10 8.212 8.212 7.451 0.761 18219 2648 1 6 . 1 1 20 20 LEU N N 11 119.442 119.442 117.631 1.811 18219 2649 1 6 . 1 1 20 20 LEU HA H 11 3.937 3.937 3.992 -0.055 18219 2650 1 6 . 1 1 20 20 LEU C C 11 176.694 176.694 178.867 -2.173 18219 2651 1 6 . 1 1 20 20 LEU CA C 11 57.800 57.800 57.886 -0.086 18219 2652 1 6 . 1 1 20 20 LEU CB C 11 41.222 41.222 41.075 0.147 18219 2653 1 6 . 1 1 20 20 LEU H H 11 8.065 8.065 7.579 0.486 18219 2654 1 6 . 1 1 21 21 VAL N N 12 118.323 118.323 120.283 -1.960 18219 2655 1 6 . 1 1 21 21 VAL HA H 12 3.640 3.640 3.609 0.031 18219 2656 1 6 . 1 1 21 21 VAL C C 12 176.536 176.536 178.563 -2.027 18219 2657 1 6 . 1 1 21 21 VAL CA C 12 65.400 65.400 67.141 -1.741 18219 2658 1 6 . 1 1 21 21 VAL CB C 12 31.135 31.135 30.874 0.261 18219 2659 1 6 . 1 1 21 21 VAL H H 12 8.051 8.051 8.424 -0.373 18219 2660 1 6 . 1 1 22 22 THR N N 13 118.298 118.298 116.647 1.651 18219 2661 1 6 . 1 1 22 22 THR HA H 13 4.660 4.660 4.057 0.603 18219 2662 1 6 . 1 1 22 22 THR C C 13 173.734 173.734 176.580 -2.846 18219 2663 1 6 . 1 1 22 22 THR CA C 13 66.300 66.300 66.682 -0.382 18219 2664 1 6 . 1 1 22 22 THR CB C 13 67.775 67.775 68.477 -0.702 18219 2665 1 6 . 1 1 22 22 THR H H 13 7.944 7.944 8.130 -0.186 18219 2666 1 6 . 1 1 23 23 PHE N N 14 121.328 121.328 122.442 -1.114 18219 2667 1 6 . 1 1 23 23 PHE HA H 14 4.340 4.340 4.237 0.103 18219 2668 1 6 . 1 1 23 23 PHE C C 14 174.783 174.783 177.243 -2.460 18219 2669 1 6 . 1 1 23 23 PHE CA C 14 60.500 60.500 61.712 -1.212 18219 2670 1 6 . 1 1 23 23 PHE CB C 14 38.626 38.626 38.898 -0.272 18219 2671 1 6 . 1 1 23 23 PHE H H 14 8.567 8.567 8.417 0.150 18219 2672 1 6 . 1 1 24 24 GLY N N 15 106.871 106.871 105.185 1.686 18219 2673 1 6 . 1 1 24 24 GLY C C 15 172.858 172.858 176.738 -3.880 18219 2674 1 6 . 1 1 24 24 GLY CA C 15 46.900 46.900 47.334 -0.434 18219 2675 1 6 . 1 1 24 24 GLY H H 15 8.475 8.475 8.930 -0.455 18219 2676 1 6 . 1 1 25 25 SER N N 16 116.214 116.214 117.039 -0.825 18219 2677 1 6 . 1 1 25 25 SER HA H 16 4.280 4.280 4.282 -0.002 18219 2678 1 6 . 1 1 25 25 SER CA C 16 60.300 60.300 61.666 -1.366 18219 2679 1 6 . 1 1 25 25 SER CB C 16 62.879 62.879 63.337 -0.458 18219 2680 1 6 . 1 1 25 25 SER H H 16 7.963 7.963 7.934 0.029 18219 2681 1 6 . 1 1 26 26 ILE N N 17 121.024 121.024 121.643 -0.619 18219 2682 1 6 . 1 1 26 26 ILE HA H 17 3.946 3.946 3.776 0.170 18219 2683 1 6 . 1 1 26 26 ILE C C 17 173.935 173.935 178.174 -4.239 18219 2684 1 6 . 1 1 26 26 ILE CA C 17 63.100 63.100 63.353 -0.254 18219 2685 1 6 . 1 1 26 26 ILE CB C 17 38.107 38.107 37.422 0.685 18219 2686 1 6 . 1 1 26 26 ILE H H 17 7.676 7.676 7.897 -0.221 18219 2687 1 6 . 1 1 27 27 PHE N N 18 117.142 117.142 119.020 -1.878 18219 2688 1 6 . 1 1 27 27 PHE HA H 18 4.430 4.430 3.983 0.447 18219 2689 1 6 . 1 1 27 27 PHE C C 18 173.504 173.504 176.570 -3.066 18219 2690 1 6 . 1 1 27 27 PHE CA C 18 58.500 58.500 60.608 -2.108 18219 2691 1 6 . 1 1 27 27 PHE CB C 18 38.774 38.774 39.148 -0.374 18219 2692 1 6 . 1 1 27 27 PHE H H 18 7.703 7.703 8.147 -0.444 18219 2693 1 6 . 1 1 28 28 GLY N N 19 107.303 107.303 106.697 0.606 18219 2694 1 6 . 1 1 28 28 GLY C C 19 171.593 171.593 173.544 -1.951 18219 2695 1 6 . 1 1 28 28 GLY CA C 19 45.600 45.600 45.252 0.348 18219 2696 1 6 . 1 1 28 28 GLY H H 19 7.722 7.722 7.843 -0.121 18219 2697 1 6 . 1 1 29 29 TYR N N 20 119.862 119.862 118.092 1.770 18219 2698 1 6 . 1 1 29 29 TYR HA H 20 4.392 4.392 4.118 0.274 18219 2699 1 6 . 1 1 29 29 TYR C C 20 173.174 173.174 174.259 -1.085 18219 2700 1 6 . 1 1 29 29 TYR CA C 20 58.500 58.500 57.714 0.786 18219 2701 1 6 . 1 1 29 29 TYR CB C 20 38.404 38.404 38.765 -0.361 18219 2702 1 6 . 1 1 29 29 TYR H H 20 7.880 7.880 8.218 -0.338 18219 2703 1 6 . 1 1 30 30 LYS N N 21 122.335 122.335 126.750 -4.415 18219 2704 1 6 . 1 1 30 30 LYS HA H 21 4.390 4.390 4.073 0.317 18219 2705 1 6 . 1 1 30 30 LYS C C 21 173.547 173.547 176.463 -2.916 18219 2706 1 6 . 1 1 30 30 LYS CA C 21 55.800 55.800 57.490 -1.690 18219 2707 1 6 . 1 1 30 30 LYS CB C 21 32.396 32.396 32.773 -0.377 18219 2708 1 6 . 1 1 30 30 LYS H H 21 7.934 7.934 8.429 -0.495 18219 2709 1 6 . 1 1 31 31 ARG N N 22 120.612 120.612 123.866 -3.254 18219 2710 1 6 . 1 1 31 31 ARG C C 22 173.547 173.547 176.125 -2.578 18219 2711 1 6 . 1 1 31 31 ARG CA C 22 55.834 55.834 56.758 -0.923 18219 2712 1 6 . 1 1 31 31 ARG CB C 22 30.101 30.101 30.458 -0.357 18219 2713 1 6 . 1 1 31 31 ARG H H 22 7.905 7.905 8.613 -0.708 18219 2714 1 6 . 1 1 32 32 ARG N N 23 121.748 121.748 123.698 -1.950 18219 2715 1 6 . 1 1 32 32 ARG HA H 23 4.310 4.310 4.268 0.042 18219 2716 1 6 . 1 1 32 32 ARG C C 23 173.863 173.863 176.563 -2.700 18219 2717 1 6 . 1 1 32 32 ARG CA C 23 55.800 55.800 57.813 -2.013 18219 2718 1 6 . 1 1 32 32 ARG CB C 23 30.245 30.245 30.698 -0.453 18219 2719 1 6 . 1 1 32 32 ARG H H 23 8.175 8.175 8.767 -0.592 18219 2720 1 6 . 1 1 33 33 GLY N N 24 109.528 109.528 103.824 5.704 18219 2721 1 6 . 1 1 33 33 GLY C C 24 171.752 171.752 174.056 -2.304 18219 2722 1 6 . 1 1 33 33 GLY CA C 24 44.900 44.900 44.319 0.581 18219 2723 1 6 . 1 1 33 33 GLY H H 24 8.264 8.264 7.647 0.617 18219 2724 1 6 . 1 1 34 34 GLY N N 25 108.563 108.563 107.987 0.576 18219 2725 1 6 . 1 1 34 34 GLY C C 25 171.701 171.701 175.586 -3.885 18219 2726 1 6 . 1 1 34 34 GLY CA C 25 44.600 44.600 44.861 -0.261 18219 2727 1 6 . 1 1 34 34 GLY H H 25 8.208 8.208 8.578 -0.370 18219 2728 1 6 . 1 1 35 35 VAL N N 26 121.164 121.164 121.550 -0.386 18219 2729 1 6 . 1 1 35 35 VAL HA H 26 4.010 4.010 4.045 -0.035 18219 2730 1 6 . 1 1 35 35 VAL C C 26 175.888 175.888 175.159 0.729 18219 2731 1 6 . 1 1 35 35 VAL CA C 26 63.900 63.900 64.096 -0.196 18219 2732 1 6 . 1 1 35 35 VAL CB C 26 30.690 30.690 31.250 -0.560 18219 2733 1 6 . 1 1 35 35 VAL H H 26 8.485 8.485 8.006 0.479 18219 2734 1 6 . 1 1 36 36 PRO C C 27 177.660 177.660 175.906 1.754 18219 2735 1 6 . 1 1 36 36 PRO CA C 27 61.847 61.847 62.676 -0.829 18219 2736 1 6 . 1 1 37 37 SER N N 28 116.023 116.023 115.171 0.852 18219 2737 1 6 . 1 1 37 37 SER HA H 28 4.280 4.280 4.428 -0.148 18219 2738 1 6 . 1 1 37 37 SER CA C 28 61.100 61.100 60.521 0.579 18219 2739 1 6 . 1 1 37 37 SER H H 28 7.948 7.948 8.425 -0.477 18219 2740 1 6 . 1 1 38 38 LEU N N 29 124.029 124.029 120.826 3.203 18219 2741 1 6 . 1 1 38 38 LEU HA H 29 4.170 4.170 4.105 0.065 18219 2742 1 6 . 1 1 38 38 LEU C C 29 176.132 176.132 178.649 -2.517 18219 2743 1 6 . 1 1 38 38 LEU CA C 29 57.500 57.500 57.851 -0.351 18219 2744 1 6 . 1 1 38 38 LEU CB C 29 42.038 42.038 40.325 1.713 18219 2745 1 6 . 1 1 38 38 LEU H H 29 8.201 8.201 7.915 0.286 18219 2746 1 6 . 1 1 39 39 ILE N N 30 117.098 117.098 119.164 -2.066 18219 2747 1 6 . 1 1 39 39 ILE HA H 30 4.370 4.370 3.843 0.527 18219 2748 1 6 . 1 1 39 39 ILE C C 30 176.478 176.478 177.914 -1.436 18219 2749 1 6 . 1 1 39 39 ILE CA C 30 63.079 63.079 63.731 -0.652 18219 2750 1 6 . 1 1 39 39 ILE CB C 30 36.973 36.973 36.715 0.258 18219 2751 1 6 . 1 1 39 39 ILE H H 30 7.662 7.662 8.225 -0.563 18219 2752 1 6 . 1 1 40 40 ALA N N 31 122.447 122.447 123.225 -0.778 18219 2753 1 6 . 1 1 40 40 ALA HA H 31 4.034 4.034 4.044 -0.010 18219 2754 1 6 . 1 1 40 40 ALA C C 31 177.067 177.067 179.477 -2.410 18219 2755 1 6 . 1 1 40 40 ALA CA C 31 55.962 55.962 55.354 0.608 18219 2756 1 6 . 1 1 40 40 ALA CB C 31 17.856 17.856 18.221 -0.365 18219 2757 1 6 . 1 1 40 40 ALA H H 31 8.096 8.096 8.202 -0.106 18219 2758 1 6 . 1 1 41 41 GLY N N 32 104.056 104.056 107.919 -3.863 18219 2759 1 6 . 1 1 41 41 GLY C C 32 174.251 174.251 175.973 -1.722 18219 2760 1 6 . 1 1 41 41 GLY CA C 32 46.500 46.500 46.936 -0.436 18219 2761 1 6 . 1 1 41 41 GLY H H 32 8.123 8.123 8.126 -0.003 18219 2762 1 6 . 1 1 42 42 LEU N N 33 123.250 123.250 123.214 0.036 18219 2763 1 6 . 1 1 42 42 LEU HA H 33 3.857 3.857 3.981 -0.124 18219 2764 1 6 . 1 1 42 42 LEU C C 33 176.033 176.033 178.292 -2.259 18219 2765 1 6 . 1 1 42 42 LEU CA C 33 56.668 56.668 58.228 -1.560 18219 2766 1 6 . 1 1 42 42 LEU CB C 33 41.721 41.721 41.948 -0.227 18219 2767 1 6 . 1 1 42 42 LEU H H 33 7.914 7.914 8.157 -0.243 18219 2768 1 6 . 1 1 43 43 PHE N N 34 119.757 119.757 119.307 0.450 18219 2769 1 6 . 1 1 43 43 PHE HA H 34 4.200 4.200 3.985 0.215 18219 2770 1 6 . 1 1 43 43 PHE C C 34 174.374 174.374 177.376 -3.002 18219 2771 1 6 . 1 1 43 43 PHE CA C 34 59.876 59.876 62.065 -2.189 18219 2772 1 6 . 1 1 43 43 PHE CB C 34 38.834 38.834 38.949 -0.115 18219 2773 1 6 . 1 1 43 43 PHE H H 34 8.287 8.287 8.101 0.186 18219 2774 1 6 . 1 1 44 44 VAL N N 35 117.791 117.791 117.853 -0.062 18219 2775 1 6 . 1 1 44 44 VAL HA H 35 3.610 3.610 3.650 -0.040 18219 2776 1 6 . 1 1 44 44 VAL C C 35 176.205 176.205 178.594 -2.389 18219 2777 1 6 . 1 1 44 44 VAL CA C 35 64.559 64.559 66.799 -2.240 18219 2778 1 6 . 1 1 44 44 VAL CB C 35 31.432 31.432 31.139 0.293 18219 2779 1 6 . 1 1 44 44 VAL H H 35 8.235 8.235 8.520 -0.285 18219 2780 1 6 . 1 1 45 45 GLY N N 36 108.551 108.551 107.638 0.913 18219 2781 1 6 . 1 1 45 45 GLY C C 36 173.749 173.749 175.908 -2.159 18219 2782 1 6 . 1 1 45 45 GLY CA C 36 46.083 46.083 47.221 -1.138 18219 2783 1 6 . 1 1 45 45 GLY H H 36 8.178 8.178 8.408 -0.230 18219 2784 1 6 . 1 1 46 46 CYS N N 37 121.173 121.173 122.351 -1.178 18219 2785 1 6 . 1 1 46 46 CYS HA H 37 4.180 4.180 4.154 0.026 18219 2786 1 6 . 1 1 46 46 CYS C C 37 173.710 173.710 176.726 -3.016 18219 2787 1 6 . 1 1 46 46 CYS CA C 37 63.000 63.000 64.627 -1.627 18219 2788 1 6 . 1 1 46 46 CYS CB C 37 60.283 60.283 27.815 32.468 18219 2789 1 6 . 1 1 46 46 CYS H H 37 8.253 8.253 8.262 -0.009 18219 2790 1 6 . 1 1 47 47 LEU N N 38 120.283 120.283 119.871 0.412 18219 2791 1 6 . 1 1 47 47 LEU HA H 38 4.060 4.060 4.055 0.005 18219 2792 1 6 . 1 1 47 47 LEU C C 38 176.679 176.679 177.916 -1.237 18219 2793 1 6 . 1 1 47 47 LEU CA C 38 56.027 56.027 58.106 -2.079 18219 2794 1 6 . 1 1 47 47 LEU CB C 38 41.464 41.464 40.732 0.732 18219 2795 1 6 . 1 1 47 47 LEU H H 38 7.965 7.965 8.560 -0.595 18219 2796 1 6 . 1 1 48 48 ALA N N 39 122.249 122.249 122.201 0.048 18219 2797 1 6 . 1 1 48 48 ALA HA H 39 4.142 4.142 4.050 0.092 18219 2798 1 6 . 1 1 48 48 ALA C C 39 177.915 177.915 179.728 -1.813 18219 2799 1 6 . 1 1 48 48 ALA CA C 39 53.717 53.717 55.188 -1.471 18219 2800 1 6 . 1 1 48 48 ALA CB C 39 17.985 17.985 18.091 -0.106 18219 2801 1 6 . 1 1 48 48 ALA H H 39 8.066 8.066 7.909 0.157 18219 2802 1 6 . 1 1 49 49 GLY N N 40 107.377 107.377 107.288 0.089 18219 2803 1 6 . 1 1 49 49 GLY C C 40 172.527 172.527 175.657 -3.130 18219 2804 1 6 . 1 1 49 49 GLY CA C 40 45.450 45.450 46.815 -1.365 18219 2805 1 6 . 1 1 49 49 GLY H H 40 8.172 8.172 8.193 -0.021 18219 2806 1 6 . 1 1 50 50 TYR N N 41 122.409 122.409 123.348 -0.939 18219 2807 1 6 . 1 1 50 50 TYR HA H 41 3.799 3.799 4.229 -0.430 18219 2808 1 6 . 1 1 50 50 TYR C C 41 174.208 174.208 177.857 -3.649 18219 2809 1 6 . 1 1 50 50 TYR CA C 41 59.245 59.245 61.037 -1.792 18219 2810 1 6 . 1 1 50 50 TYR CB C 41 37.936 37.936 38.324 -0.388 18219 2811 1 6 . 1 1 50 50 TYR H H 41 7.800 7.800 8.534 -0.734 18219 2812 1 6 . 1 1 51 51 GLY N N 42 106.935 106.935 107.119 -0.184 18219 2813 1 6 . 1 1 51 51 GLY C C 42 172.642 172.642 175.082 -2.440 18219 2814 1 6 . 1 1 51 51 GLY CA C 42 46.265 46.265 45.378 0.887 18219 2815 1 6 . 1 1 51 51 GLY H H 42 8.199 8.199 8.006 0.193 18219 2816 1 6 . 1 1 52 52 ALA N N 43 123.018 123.018 125.025 -2.007 18219 2817 1 6 . 1 1 52 52 ALA HA H 43 4.150 4.150 4.016 0.134 18219 2818 1 6 . 1 1 52 52 ALA C C 43 176.398 176.398 177.924 -1.526 18219 2819 1 6 . 1 1 52 52 ALA CA C 43 52.883 52.883 53.172 -0.289 18219 2820 1 6 . 1 1 52 52 ALA CB C 43 18.241 18.241 19.011 -0.770 18219 2821 1 6 . 1 1 52 52 ALA H H 43 7.758 7.758 7.617 0.141 18219 2822 1 6 . 1 1 53 53 TYR N N 44 119.664 119.664 117.112 2.552 18219 2823 1 6 . 1 1 53 53 TYR HA H 44 4.318 4.318 4.138 0.180 18219 2824 1 6 . 1 1 53 53 TYR C C 44 174.180 174.180 175.542 -1.362 18219 2825 1 6 . 1 1 53 53 TYR CA C 44 58.593 58.593 59.215 -0.622 18219 2826 1 6 . 1 1 53 53 TYR CB C 44 38.192 38.192 37.412 0.780 18219 2827 1 6 . 1 1 53 53 TYR H H 44 7.920 7.920 7.925 -0.005 18219 2828 1 6 . 1 1 54 54 ARG N N 45 119.516 119.516 120.688 -1.172 18219 2829 1 6 . 1 1 54 54 ARG HA H 45 3.930 3.930 3.905 0.025 18219 2830 1 6 . 1 1 54 54 ARG C C 45 174.423 174.423 175.495 -1.072 18219 2831 1 6 . 1 1 54 54 ARG CA C 45 56.027 56.027 56.910 -0.883 18219 2832 1 6 . 1 1 54 54 ARG CB C 45 30.173 30.173 28.391 1.782 18219 2833 1 6 . 1 1 54 54 ARG H H 45 7.956 7.956 8.327 -0.371 18219 2834 1 6 . 1 1 55 55 VAL N N 46 116.437 116.437 119.397 -2.960 18219 2835 1 6 . 1 1 55 55 VAL HA H 46 4.060 4.060 3.807 0.253 18219 2836 1 6 . 1 1 55 55 VAL C C 46 173.806 173.806 176.577 -2.771 18219 2837 1 6 . 1 1 55 55 VAL CA C 46 62.300 62.300 64.360 -2.060 18219 2838 1 6 . 1 1 55 55 VAL CB C 46 31.521 31.521 31.393 0.128 18219 2839 1 6 . 1 1 55 55 VAL H H 46 7.489 7.489 7.601 -0.112 18219 2840 1 6 . 1 1 56 56 SER N N 47 117.185 117.185 113.042 4.143 18219 2841 1 6 . 1 1 56 56 SER HA H 47 4.401 4.401 4.034 0.367 18219 2842 1 6 . 1 1 56 56 SER C C 47 172.074 172.074 174.142 -2.068 18219 2843 1 6 . 1 1 56 56 SER CA C 47 58.133 58.133 60.285 -2.152 18219 2844 1 6 . 1 1 56 56 SER CB C 47 63.468 63.468 63.500 -0.032 18219 2845 1 6 . 1 1 56 56 SER H H 47 7.728 7.728 8.317 -0.589 18219 2846 1 6 . 1 1 57 57 ASN N N 48 121.049 121.049 123.511 -2.462 18219 2847 1 6 . 1 1 57 57 ASN HA H 48 4.590 4.590 4.683 -0.093 18219 2848 1 6 . 1 1 57 57 ASN CA C 48 53.600 53.600 53.852 -0.252 18219 2849 1 6 . 1 1 57 57 ASN CB C 48 38.641 38.641 38.513 0.128 18219 2850 1 6 . 1 1 57 57 ASN H H 48 8.228 8.228 8.436 -0.208 18219 2851 1 6 . 1 1 58 58 ASP N N 49 120.276 120.276 121.627 -1.351 18219 2852 1 6 . 1 1 58 58 ASP HA H 49 4.530 4.530 4.639 -0.109 18219 2853 1 6 . 1 1 58 58 ASP CA C 49 54.202 54.202 54.033 0.169 18219 2854 1 6 . 1 1 58 58 ASP CB C 49 40.374 40.374 41.252 -0.878 18219 2855 1 6 . 1 1 58 58 ASP H H 49 8.192 8.192 8.529 -0.337 18219 2856 1 6 . 1 1 59 59 LYS N N 50 120.660 120.660 115.720 4.940 18219 2857 1 6 . 1 1 59 59 LYS HA H 50 4.200 4.200 3.959 0.241 18219 2858 1 6 . 1 1 59 59 LYS C C 50 173.474 173.474 174.897 -1.423 18219 2859 1 6 . 1 1 59 59 LYS CA C 50 56.300 56.300 56.782 -0.482 18219 2860 1 6 . 1 1 59 59 LYS CB C 50 32.034 32.034 31.425 0.609 18219 2861 1 6 . 1 1 59 59 LYS H H 50 8.003 8.003 8.383 -0.380 18219 2862 1 6 . 1 1 60 60 ARG N N 51 121.278 121.278 119.038 2.240 18219 2863 1 6 . 1 1 60 60 ARG HA H 51 4.200 4.200 4.198 0.002 18219 2864 1 6 . 1 1 60 60 ARG C C 51 173.303 173.303 174.953 -1.650 18219 2865 1 6 . 1 1 60 60 ARG CA C 51 56.283 56.283 56.669 -0.386 18219 2866 1 6 . 1 1 60 60 ARG CB C 51 30.238 30.238 29.314 0.924 18219 2867 1 6 . 1 1 60 60 ARG H H 51 8.091 8.091 8.099 -0.008 18219 2868 1 6 . 1 1 61 61 ASP N N 52 121.185 121.185 124.211 -3.026 18219 2869 1 6 . 1 1 61 61 ASP HA H 52 4.615 4.615 4.809 -0.194 18219 2870 1 6 . 1 1 61 61 ASP C C 52 173.777 173.777 176.994 -3.217 18219 2871 1 6 . 1 1 61 61 ASP CA C 52 53.979 53.979 56.221 -2.242 18219 2872 1 6 . 1 1 61 61 ASP CB C 52 40.245 40.245 42.603 -2.358 18219 2873 1 6 . 1 1 61 61 ASP H H 52 8.261 8.261 8.494 -0.233 18219 2874 1 6 . 1 1 62 62 VAL N N 53 121.902 121.902 119.144 2.758 18219 2875 1 6 . 1 1 62 62 VAL HA H 53 3.950 3.950 4.119 -0.169 18219 2876 1 6 . 1 1 62 62 VAL C C 53 173.279 173.279 177.009 -3.730 18219 2877 1 6 . 1 1 62 62 VAL CA C 53 63.176 63.176 63.012 0.164 18219 2878 1 6 . 1 1 62 62 VAL CB C 53 32.099 32.099 31.559 0.539 18219 2879 1 6 . 1 1 62 62 VAL H H 53 7.997 7.997 8.488 -0.491 18219 2880 1 6 . 1 1 63 63 LYS N N 54 123.522 123.522 121.798 1.724 18219 2881 1 6 . 1 1 63 63 LYS HA H 54 4.260 4.260 4.011 0.249 18219 2882 1 6 . 1 1 63 63 LYS C C 54 174.481 174.481 178.423 -3.942 18219 2883 1 6 . 1 1 63 63 LYS CA C 54 56.347 56.347 60.222 -3.875 18219 2884 1 6 . 1 1 63 63 LYS CB C 54 32.099 32.099 32.024 0.075 18219 2885 1 6 . 1 1 63 63 LYS H H 54 8.054 8.054 8.218 -0.164 18219 2886 1 6 . 1 1 64 64 VAL N N 55 120.647 120.647 117.946 2.701 18219 2887 1 6 . 1 1 64 64 VAL HA H 55 3.947 3.947 3.958 -0.011 18219 2888 1 6 . 1 1 64 64 VAL C C 55 174.955 174.955 177.868 -2.913 18219 2889 1 6 . 1 1 64 64 VAL CA C 55 64.600 64.600 65.239 -0.639 18219 2890 1 6 . 1 1 64 64 VAL CB C 55 31.877 31.877 31.042 0.835 18219 2891 1 6 . 1 1 64 64 VAL H H 55 8.225 8.225 8.056 0.169 18219 2892 1 6 . 1 1 65 65 SER N N 56 117.785 117.785 116.716 1.069 18219 2893 1 6 . 1 1 65 65 SER HA H 56 4.390 4.390 4.168 0.222 18219 2894 1 6 . 1 1 65 65 SER C C 56 172.300 172.300 176.663 -4.363 18219 2895 1 6 . 1 1 65 65 SER CA C 56 60.000 60.000 62.002 -2.002 18219 2896 1 6 . 1 1 65 65 SER CB C 56 62.879 62.879 63.015 -0.136 18219 2897 1 6 . 1 1 65 65 SER H H 56 8.260 8.260 7.751 0.509 18219 2898 1 6 . 1 1 66 66 LEU N N 57 123.318 123.318 122.030 1.288 18219 2899 1 6 . 1 1 66 66 LEU HA H 57 4.090 4.090 4.209 -0.119 18219 2900 1 6 . 1 1 66 66 LEU C C 57 175.932 175.932 178.159 -2.227 18219 2901 1 6 . 1 1 66 66 LEU CA C 57 57.502 57.502 58.478 -0.976 18219 2902 1 6 . 1 1 66 66 LEU CB C 57 41.721 41.721 42.181 -0.460 18219 2903 1 6 . 1 1 66 66 LEU H H 57 8.091 8.091 8.261 -0.170 18219 2904 1 6 . 1 1 67 67 PHE N N 58 118.020 118.020 118.744 -0.724 18219 2905 1 6 . 1 1 67 67 PHE HA H 58 4.330 4.330 3.899 0.431 18219 2906 1 6 . 1 1 67 67 PHE C C 58 174.912 174.912 177.444 -2.532 18219 2907 1 6 . 1 1 67 67 PHE CA C 58 60.600 60.600 61.856 -1.256 18219 2908 1 6 . 1 1 67 67 PHE CB C 58 38.552 38.552 38.771 -0.219 18219 2909 1 6 . 1 1 67 67 PHE H H 58 8.066 8.066 8.476 -0.410 18219 2910 1 6 . 1 1 68 68 THR N N 59 115.324 115.324 116.119 -0.795 18219 2911 1 6 . 1 1 68 68 THR HA H 59 4.310 4.310 4.037 0.273 18219 2912 1 6 . 1 1 68 68 THR C C 59 173.380 173.380 176.336 -2.956 18219 2913 1 6 . 1 1 68 68 THR CA C 59 66.313 66.313 67.732 -1.419 18219 2914 1 6 . 1 1 68 68 THR CB C 59 67.700 67.700 68.761 -1.061 18219 2915 1 6 . 1 1 68 68 THR H H 59 8.287 8.287 8.484 -0.197 18219 2916 1 6 . 1 1 69 69 ALA N N 60 123.621 123.621 124.898 -1.277 18219 2917 1 6 . 1 1 69 69 ALA HA H 60 4.280 4.280 3.967 0.313 18219 2918 1 6 . 1 1 69 69 ALA C C 60 176.978 176.978 179.463 -2.485 18219 2919 1 6 . 1 1 69 69 ALA CA C 60 55.100 55.100 55.321 -0.221 18219 2920 1 6 . 1 1 69 69 ALA CB C 60 17.728 17.728 18.358 -0.630 18219 2921 1 6 . 1 1 69 69 ALA H H 60 7.983 7.983 8.268 -0.285 18219 2922 1 6 . 1 1 70 70 PHE N N 61 118.520 118.520 117.739 0.781 18219 2923 1 6 . 1 1 70 70 PHE HA H 61 4.260 4.260 4.167 0.093 18219 2924 1 6 . 1 1 70 70 PHE C C 61 175.369 175.369 177.572 -2.203 18219 2925 1 6 . 1 1 70 70 PHE CA C 61 60.179 60.179 61.915 -1.736 18219 2926 1 6 . 1 1 70 70 PHE CB C 61 38.706 38.706 38.875 -0.169 18219 2927 1 6 . 1 1 70 70 PHE H H 61 8.007 8.007 8.968 -0.961 18219 2928 1 6 . 1 1 71 71 PHE N N 62 122.314 122.314 120.350 1.964 18219 2929 1 6 . 1 1 71 71 PHE HA H 62 4.000 4.000 4.041 -0.041 18219 2930 1 6 . 1 1 71 71 PHE C C 62 174.697 174.697 177.390 -2.693 18219 2931 1 6 . 1 1 71 71 PHE CA C 62 60.517 60.517 61.854 -1.337 18219 2932 1 6 . 1 1 71 71 PHE CB C 62 38.770 38.770 38.822 -0.052 18219 2933 1 6 . 1 1 71 71 PHE H H 62 8.546 8.546 8.108 0.438 18219 2934 1 6 . 1 1 72 72 LEU N N 63 119.399 119.399 119.795 -0.396 18219 2935 1 6 . 1 1 72 72 LEU HA H 63 3.870 3.870 3.745 0.125 18219 2936 1 6 . 1 1 72 72 LEU C C 63 175.774 175.774 178.320 -2.546 18219 2937 1 6 . 1 1 72 72 LEU CA C 63 56.925 56.925 58.594 -1.669 18219 2938 1 6 . 1 1 72 72 LEU CB C 63 41.207 41.207 41.733 -0.526 18219 2939 1 6 . 1 1 72 72 LEU H H 63 8.396 8.396 8.713 -0.317 18219 2940 1 6 . 1 1 73 73 ALA N N 64 120.221 120.221 121.049 -0.828 18219 2941 1 6 . 1 1 73 73 ALA HA H 64 3.960 3.960 3.791 0.169 18219 2942 1 6 . 1 1 73 73 ALA C C 64 177.267 177.267 179.381 -2.114 18219 2943 1 6 . 1 1 73 73 ALA CA C 64 54.600 54.600 55.358 -0.758 18219 2944 1 6 . 1 1 73 73 ALA CB C 64 17.784 17.784 17.658 0.126 18219 2945 1 6 . 1 1 73 73 ALA H H 64 8.025 8.025 7.999 0.026 18219 2946 1 6 . 1 1 74 74 THR N N 65 113.648 113.648 114.787 -1.139 18219 2947 1 6 . 1 1 74 74 THR HA H 65 3.980 3.980 3.857 0.123 18219 2948 1 6 . 1 1 74 74 THR CA C 65 66.291 66.291 66.812 -0.521 18219 2949 1 6 . 1 1 74 74 THR CB C 65 67.914 67.914 68.636 -0.722 18219 2950 1 6 . 1 1 74 74 THR H H 65 7.717 7.717 7.700 0.017 18219 2951 1 6 . 1 1 75 75 ILE N N 66 120.291 120.291 121.278 -0.987 18219 2952 1 6 . 1 1 75 75 ILE HA H 66 3.740 3.740 3.403 0.337 18219 2953 1 6 . 1 1 75 75 ILE C C 66 174.951 174.951 178.181 -3.230 18219 2954 1 6 . 1 1 75 75 ILE CA C 66 64.880 64.880 64.483 0.397 18219 2955 1 6 . 1 1 75 75 ILE CB C 66 37.166 37.166 37.784 -0.618 18219 2956 1 6 . 1 1 75 75 ILE H H 66 7.738 7.738 7.756 -0.018 18219 2957 1 6 . 1 1 76 76 MET N N 67 117.618 117.618 117.823 -0.205 18219 2958 1 6 . 1 1 76 76 MET HA H 67 4.220 4.220 4.029 0.191 18219 2959 1 6 . 1 1 76 76 MET C C 67 175.142 175.142 177.556 -2.414 18219 2960 1 6 . 1 1 76 76 MET CA C 67 56.723 56.723 58.147 -1.424 18219 2961 1 6 . 1 1 76 76 MET CB C 67 31.951 31.951 33.336 -1.385 18219 2962 1 6 . 1 1 76 76 MET H H 67 7.823 7.823 8.407 -0.584 18219 2963 1 6 . 1 1 77 77 GLY N N 68 107.110 107.110 106.672 0.438 18219 2964 1 6 . 1 1 77 77 GLY C C 68 172.260 172.260 175.046 -2.786 18219 2965 1 6 . 1 1 77 77 GLY CA C 68 45.800 45.800 45.357 0.443 18219 2966 1 6 . 1 1 77 77 GLY H H 68 7.937 7.937 8.252 -0.315 18219 2967 1 6 . 1 1 78 78 VAL N N 69 120.431 120.431 115.886 4.545 18219 2968 1 6 . 1 1 78 78 VAL HA H 69 4.220 4.220 3.663 0.557 18219 2969 1 6 . 1 1 78 78 VAL CA C 69 63.900 63.900 64.648 -0.748 18219 2970 1 6 . 1 1 78 78 VAL CB C 69 31.506 31.506 31.697 -0.191 18219 2971 1 6 . 1 1 78 78 VAL H H 69 7.697 7.697 8.379 -0.682 18219 2972 1 6 . 1 1 79 79 ARG N N 70 121.420 121.420 116.346 5.074 18219 2973 1 6 . 1 1 79 79 ARG HA H 70 3.810 3.810 4.414 -0.604 18219 2974 1 6 . 1 1 79 79 ARG CA C 70 56.400 56.400 54.635 1.765 18219 2975 1 6 . 1 1 79 79 ARG CB C 70 30.097 30.097 33.153 -3.056 18219 2976 1 6 . 1 1 79 79 ARG H H 70 7.889 7.889 7.258 0.631 18219 2977 1 6 . 1 1 80 80 PHE N N 71 119.949 119.949 120.883 -0.934 18219 2978 1 6 . 1 1 80 80 PHE HA H 71 4.510 4.510 4.169 0.341 18219 2979 1 6 . 1 1 80 80 PHE CA C 71 58.600 58.600 60.849 -2.249 18219 2980 1 6 . 1 1 80 80 PHE CB C 71 39.145 39.145 39.337 -0.191 18219 2981 1 6 . 1 1 80 80 PHE H H 71 8.101 8.101 8.664 -0.563 18219 2982 1 6 . 1 1 81 81 LYS N N 72 122.193 122.193 117.908 4.285 18219 2983 1 6 . 1 1 81 81 LYS CA C 72 56.800 56.800 55.887 0.913 18219 2984 1 6 . 1 1 81 81 LYS CB C 72 32.322 32.322 33.613 -1.291 18219 2985 1 6 . 1 1 81 81 LYS H H 72 8.090 8.090 8.167 -0.077 18219 2986 1 6 . 1 1 82 82 ARG N N 73 119.650 119.650 123.312 -3.662 18219 2987 1 6 . 1 1 82 82 ARG CA C 73 56.089 56.089 58.764 -2.675 18219 2988 1 6 . 1 1 82 82 ARG CB C 73 30.171 30.171 30.463 -0.292 18219 2989 1 6 . 1 1 82 82 ARG H H 73 8.052 8.052 8.729 -0.677 18219 2990 1 6 . 1 1 83 83 SER N N 74 115.734 115.734 112.570 3.164 18219 2991 1 6 . 1 1 83 83 SER CA C 74 58.355 58.355 59.923 -1.568 18219 2992 1 6 . 1 1 83 83 SER CB C 74 63.404 63.404 62.673 0.731 18219 2993 1 6 . 1 1 83 83 SER H H 74 7.912 7.912 8.157 -0.245 18219 2994 1 6 . 1 1 84 84 LYS N N 75 122.370 122.370 119.928 2.442 18219 2995 1 6 . 1 1 84 84 LYS CA C 75 56.135 56.135 57.621 -1.486 18219 2996 1 6 . 1 1 84 84 LYS CB C 75 32.175 32.175 31.425 0.750 18219 2997 1 6 . 1 1 84 84 LYS H H 75 8.067 8.067 8.565 -0.498 18219 2998 1 6 . 1 1 86 86 ILE N N 77 119.592 119.592 118.912 0.680 18219 2999 1 6 . 1 1 86 86 ILE HA H 77 3.810 3.810 4.129 -0.319 18219 3000 1 6 . 1 1 86 86 ILE CA C 77 64.900 64.900 61.350 3.550 18219 3001 1 6 . 1 1 86 86 ILE CB C 77 39.145 39.145 38.531 0.614 18219 3002 1 6 . 1 1 86 86 ILE H H 77 7.837 7.837 8.060 -0.223 18219 3003 1 6 . 1 1 87 87 MET N N 78 121.645 121.645 120.030 1.615 18219 3004 1 6 . 1 1 87 87 MET CA C 78 52.982 52.982 58.562 -5.580 18219 3005 1 6 . 1 1 87 87 MET CB C 78 32.173 32.173 30.512 1.661 18219 3006 1 6 . 1 1 87 87 MET H H 78 7.950 7.950 8.493 -0.543 18219 3007 1 6 . 1 1 88 88 PRO HA H 79 4.140 4.140 4.360 -0.220 18219 3008 1 6 . 1 1 88 88 PRO C C 79 173.921 173.921 177.444 -3.523 18219 3009 1 6 . 1 1 88 88 PRO CA C 79 62.800 62.800 64.288 -1.488 18219 3010 1 6 . 1 1 88 88 PRO CB C 79 31.136 31.136 31.740 -0.604 18219 3011 1 6 . 1 1 89 89 ALA N N 80 124.431 124.431 119.455 4.976 18219 3012 1 6 . 1 1 89 89 ALA HA H 80 4.400 4.400 3.895 0.505 18219 3013 1 6 . 1 1 89 89 ALA C C 80 176.234 176.234 179.572 -3.338 18219 3014 1 6 . 1 1 89 89 ALA CA C 80 53.300 53.300 54.120 -0.820 18219 3015 1 6 . 1 1 89 89 ALA CB C 80 18.498 18.498 17.103 1.395 18219 3016 1 6 . 1 1 89 89 ALA H H 80 8.320 8.320 8.495 -0.175 18219 3017 1 6 . 1 1 90 90 GLY N N 81 106.834 106.834 106.836 -0.002 18219 3018 1 6 . 1 1 90 90 GLY C C 81 172.398 172.398 175.912 -3.514 18219 3019 1 6 . 1 1 90 90 GLY CA C 81 45.600 45.600 46.292 -0.692 18219 3020 1 6 . 1 1 90 90 GLY H H 81 8.458 8.458 8.584 -0.126 18219 3021 1 6 . 1 1 91 91 LEU N N 82 121.043 121.043 121.509 -0.466 18219 3022 1 6 . 1 1 91 91 LEU HA H 82 4.200 4.200 4.061 0.139 18219 3023 1 6 . 1 1 91 91 LEU C C 82 174.783 174.783 178.623 -3.840 18219 3024 1 6 . 1 1 91 91 LEU CA C 82 56.300 56.300 58.074 -1.774 18219 3025 1 6 . 1 1 91 91 LEU CB C 82 42.106 42.106 41.832 0.274 18219 3026 1 6 . 1 1 91 91 LEU H H 82 7.687 7.687 8.151 -0.464 18219 3027 1 6 . 1 1 92 92 VAL N N 83 114.737 114.737 118.470 -3.733 18219 3028 1 6 . 1 1 92 92 VAL HA H 83 3.980 3.980 3.627 0.353 18219 3029 1 6 . 1 1 92 92 VAL C C 83 173.634 173.634 177.647 -4.013 18219 3030 1 6 . 1 1 92 92 VAL CA C 83 62.400 62.400 66.890 -4.490 18219 3031 1 6 . 1 1 92 92 VAL CB C 83 31.585 31.585 31.346 0.239 18219 3032 1 6 . 1 1 92 92 VAL H H 83 7.602 7.602 7.825 -0.223 18219 3033 1 6 . 1 1 93 93 ALA N N 84 124.320 124.320 121.025 3.295 18219 3034 1 6 . 1 1 93 93 ALA HA H 84 4.150 4.150 4.011 0.139 18219 3035 1 6 . 1 1 93 93 ALA C C 84 175.746 175.746 179.879 -4.133 18219 3036 1 6 . 1 1 93 93 ALA CA C 84 53.300 53.300 55.288 -1.988 18219 3037 1 6 . 1 1 93 93 ALA CB C 84 18.241 18.241 17.896 0.345 18219 3038 1 6 . 1 1 93 93 ALA H H 84 7.891 7.891 8.042 -0.151 18219 3039 1 6 . 1 1 94 94 GLY N N 85 106.807 106.807 107.566 -0.759 18219 3040 1 6 . 1 1 94 94 GLY C C 85 171.752 171.752 175.951 -4.199 18219 3041 1 6 . 1 1 94 94 GLY CA C 85 45.249 45.249 46.737 -1.488 18219 3042 1 6 . 1 1 94 94 GLY H H 85 8.204 8.204 8.038 0.166 18219 3043 1 6 . 1 1 95 95 LEU N N 86 121.266 121.266 121.660 -0.394 18219 3044 1 6 . 1 1 95 95 LEU HA H 86 4.380 4.380 4.120 0.260 18219 3045 1 6 . 1 1 95 95 LEU C C 86 173.702 173.702 179.334 -5.632 18219 3046 1 6 . 1 1 95 95 LEU CA C 86 55.000 55.000 57.556 -2.557 18219 3047 1 6 . 1 1 95 95 LEU CB C 86 42.298 42.298 41.327 0.971 18219 3048 1 6 . 1 1 95 95 LEU H H 86 7.718 7.718 8.084 -0.366 18219 3049 1 6 . 1 1 96 96 SER N N 87 115.658 115.658 115.607 0.051 18219 3050 1 6 . 1 1 96 96 SER HA H 87 4.370 4.370 4.103 0.267 18219 3051 1 6 . 1 1 96 96 SER C C 87 172.479 172.479 176.649 -4.170 18219 3052 1 6 . 1 1 96 96 SER CA C 87 57.200 57.200 62.089 -4.889 18219 3053 1 6 . 1 1 96 96 SER CB C 87 64.174 64.174 63.157 1.017 18219 3054 1 6 . 1 1 96 96 SER H H 87 7.659 7.659 8.092 -0.433 18219 3055 1 6 . 1 1 97 97 LEU N N 88 123.720 123.720 122.404 1.316 18219 3056 1 6 . 1 1 97 97 LEU HA H 88 4.600 4.600 3.938 0.662 18219 3057 1 6 . 1 1 97 97 LEU C C 88 175.932 175.932 178.867 -2.935 18219 3058 1 6 . 1 1 97 97 LEU CA C 88 57.600 57.600 57.766 -0.166 18219 3059 1 6 . 1 1 97 97 LEU CB C 88 41.400 41.400 41.989 -0.589 18219 3060 1 6 . 1 1 97 97 LEU H H 88 8.733 8.733 8.123 0.610 18219 3061 1 6 . 1 1 98 98 MET N N 89 116.684 116.684 119.568 -2.884 18219 3062 1 6 . 1 1 98 98 MET HA H 89 4.280 4.280 4.047 0.233 18219 3063 1 6 . 1 1 98 98 MET C C 89 175.789 175.789 178.188 -2.399 18219 3064 1 6 . 1 1 98 98 MET CA C 89 56.915 56.915 59.053 -2.138 18219 3065 1 6 . 1 1 98 98 MET CB C 89 31.007 31.007 32.696 -1.688 18219 3066 1 6 . 1 1 98 98 MET H H 89 8.342 8.342 8.254 0.088 18219 3067 1 6 . 1 1 99 99 MET N N 90 119.182 119.182 117.040 2.142 18219 3068 1 6 . 1 1 99 99 MET HA H 90 4.110 4.110 4.135 -0.025 18219 3069 1 6 . 1 1 99 99 MET C C 90 175.588 175.588 178.985 -3.397 18219 3070 1 6 . 1 1 99 99 MET CA C 90 57.951 57.951 58.894 -0.943 18219 3071 1 6 . 1 1 99 99 MET CB C 90 32.226 32.226 32.125 0.101 18219 3072 1 6 . 1 1 99 99 MET H H 90 7.720 7.720 8.192 -0.472 18219 3073 1 6 . 1 1 100 100 ILE N N 91 119.077 119.077 119.667 -0.590 18219 3074 1 6 . 1 1 100 100 ILE HA H 91 4.110 4.110 3.849 0.261 18219 3075 1 6 . 1 1 100 100 ILE C C 91 174.634 174.634 177.855 -3.221 18219 3076 1 6 . 1 1 100 100 ILE CA C 91 64.100 64.100 64.557 -0.457 18219 3077 1 6 . 1 1 100 100 ILE CB C 91 37.143 37.143 37.923 -0.780 18219 3078 1 6 . 1 1 100 100 ILE H H 91 7.662 7.662 8.223 -0.561 18219 3079 1 6 . 1 1 101 101 LEU N N 92 119.646 119.646 120.690 -1.044 18219 3080 1 6 . 1 1 101 101 LEU HA H 92 4.530 4.530 4.115 0.415 18219 3081 1 6 . 1 1 101 101 LEU C C 92 175.430 175.430 178.342 -2.912 18219 3082 1 6 . 1 1 101 101 LEU CA C 92 57.800 57.800 57.637 0.163 18219 3083 1 6 . 1 1 101 101 LEU CB C 92 40.758 40.758 41.726 -0.968 18219 3084 1 6 . 1 1 101 101 LEU H H 92 8.142 8.142 7.908 0.234 18219 3085 1 6 . 1 1 102 102 ARG N N 93 116.394 116.394 119.449 -3.055 18219 3086 1 6 . 1 1 102 102 ARG HA H 93 4.140 4.140 4.255 -0.115 18219 3087 1 6 . 1 1 102 102 ARG C C 93 175.961 175.961 178.550 -2.589 18219 3088 1 6 . 1 1 102 102 ARG CA C 93 59.100 59.100 59.118 -0.018 18219 3089 1 6 . 1 1 102 102 ARG CB C 93 29.404 29.404 30.693 -1.289 18219 3090 1 6 . 1 1 102 102 ARG H H 93 7.893 7.893 8.140 -0.247 18219 3091 1 6 . 1 1 103 103 LEU N N 94 119.114 119.114 121.072 -1.958 18219 3092 1 6 . 1 1 103 103 LEU HA H 94 4.110 4.110 4.122 -0.012 18219 3093 1 6 . 1 1 103 103 LEU C C 94 175.889 175.889 177.979 -2.090 18219 3094 1 6 . 1 1 103 103 LEU CA C 94 57.300 57.300 57.912 -0.612 18219 3095 1 6 . 1 1 103 103 LEU CB C 94 41.296 41.296 41.938 -0.642 18219 3096 1 6 . 1 1 103 103 LEU H H 94 7.622 7.622 8.149 -0.527 18219 3097 1 6 . 1 1 104 104 VAL N N 95 117.704 117.704 117.976 -0.272 18219 3098 1 6 . 1 1 104 104 VAL HA H 95 3.530 3.530 3.817 -0.287 18219 3099 1 6 . 1 1 104 104 VAL C C 95 175.042 175.042 177.497 -2.455 18219 3100 1 6 . 1 1 104 104 VAL CA C 95 66.419 66.419 64.740 1.679 18219 3101 1 6 . 1 1 104 104 VAL CB C 95 31.357 31.357 32.067 -0.710 18219 3102 1 6 . 1 1 104 104 VAL H H 95 8.026 8.026 7.673 0.353 18219 3103 1 6 . 1 1 105 105 LEU N N 96 117.185 117.185 115.928 1.257 18219 3104 1 6 . 1 1 105 105 LEU HA H 96 3.980 3.980 4.215 -0.235 18219 3105 1 6 . 1 1 105 105 LEU C C 96 176.579 176.579 178.104 -1.525 18219 3106 1 6 . 1 1 105 105 LEU CA C 96 56.800 56.800 56.246 0.554 18219 3107 1 6 . 1 1 105 105 LEU CB C 96 40.951 40.951 42.360 -1.409 18219 3108 1 6 . 1 1 105 105 LEU H H 96 7.893 7.893 7.464 0.429 18219 3109 1 6 . 1 1 106 106 LEU N N 97 118.471 118.471 118.926 -0.455 18219 3110 1 6 . 1 1 106 106 LEU HA H 97 4.180 4.180 3.967 0.212 18219 3111 1 6 . 1 1 106 106 LEU C C 97 175.802 175.802 176.021 -0.219 18219 3112 1 6 . 1 1 106 106 LEU CA C 97 56.300 56.300 55.130 1.170 18219 3113 1 6 . 1 1 106 106 LEU CB C 97 41.592 41.592 40.509 1.083 18219 3114 1 6 . 1 1 106 106 LEU H H 97 7.545 7.545 8.131 -0.586 18219 3115 1 6 . 1 1 107 107 LEU N N 98 118.162 118.162 114.328 3.834 18219 3116 1 6 . 1 1 107 107 LEU HA H 98 4.230 4.230 3.896 0.334 18219 3117 1 6 . 1 1 107 107 LEU C C 98 174.174 174.174 177.562 -3.388 18219 3118 1 6 . 1 1 107 107 LEU CA C 98 56.283 56.283 55.724 0.559 18219 3119 1 6 . 1 1 107 107 LEU CB C 98 42.362 42.362 39.546 2.816 18219 3120 1 6 . 1 1 107 107 LEU H H 98 7.688 7.688 8.294 -0.606 18219 3121 1 7 . 1 1 11 11 ASP N N 2 120.536 120.536 119.157 1.379 18219 3122 1 7 . 1 1 11 11 ASP CA C 2 55.918 55.918 56.750 -0.832 18219 3123 1 7 . 1 1 11 11 ASP CB C 2 37.959 37.959 39.897 -1.938 18219 3124 1 7 . 1 1 11 11 ASP H H 2 7.863 7.863 8.499 -0.636 18219 3125 1 7 . 1 1 12 12 LEU N N 3 121.414 121.414 120.139 1.275 18219 3126 1 7 . 1 1 12 12 LEU C C 3 176.162 176.162 179.012 -2.850 18219 3127 1 7 . 1 1 12 12 LEU CA C 3 57.600 57.600 57.273 0.327 18219 3128 1 7 . 1 1 12 12 LEU CB C 3 41.657 41.657 42.223 -0.566 18219 3129 1 7 . 1 1 12 12 LEU H H 3 8.285 8.285 8.276 0.009 18219 3130 1 7 . 1 1 13 13 ILE N N 4 118.854 118.854 117.159 1.695 18219 3131 1 7 . 1 1 13 13 ILE HA H 4 3.740 3.740 3.741 -0.001 18219 3132 1 7 . 1 1 13 13 ILE C C 4 175.228 175.228 177.883 -2.655 18219 3133 1 7 . 1 1 13 13 ILE CA C 4 64.500 64.500 64.043 0.457 18219 3134 1 7 . 1 1 13 13 ILE CB C 4 37.102 37.102 38.090 -0.988 18219 3135 1 7 . 1 1 13 13 ILE H H 4 8.031 8.031 7.484 0.547 18219 3136 1 7 . 1 1 14 14 GLY N N 5 107.478 107.478 105.926 1.552 18219 3137 1 7 . 1 1 14 14 GLY C C 5 174.424 174.424 176.066 -1.642 18219 3138 1 7 . 1 1 14 14 GLY CA C 5 47.059 47.059 46.775 0.284 18219 3139 1 7 . 1 1 14 14 GLY H H 5 8.148 8.148 8.163 -0.015 18219 3140 1 7 . 1 1 15 15 PHE N N 6 122.774 122.774 123.990 -1.216 18219 3141 1 7 . 1 1 15 15 PHE HA H 6 4.480 4.480 4.264 0.216 18219 3142 1 7 . 1 1 15 15 PHE C C 6 175.113 175.113 177.289 -2.176 18219 3143 1 7 . 1 1 15 15 PHE CA C 6 60.017 60.017 61.497 -1.480 18219 3144 1 7 . 1 1 15 15 PHE CB C 6 38.774 38.774 38.440 0.334 18219 3145 1 7 . 1 1 15 15 PHE H H 6 8.194 8.194 8.517 -0.323 18219 3146 1 7 . 1 1 16 16 GLY N N 7 107.938 107.938 105.386 2.552 18219 3147 1 7 . 1 1 16 16 GLY C C 7 171.838 171.838 175.812 -3.974 18219 3148 1 7 . 1 1 16 16 GLY CA C 7 47.100 47.100 47.587 -0.487 18219 3149 1 7 . 1 1 16 16 GLY H H 7 8.697 8.697 8.775 -0.078 18219 3150 1 7 . 1 1 17 17 TYR N N 8 121.785 121.785 124.112 -2.327 18219 3151 1 7 . 1 1 17 17 TYR HA H 8 4.150 4.150 4.150 -0.000 18219 3152 1 7 . 1 1 17 17 TYR C C 8 174.180 174.180 177.215 -3.035 18219 3153 1 7 . 1 1 17 17 TYR CA C 8 61.300 61.300 61.065 0.235 18219 3154 1 7 . 1 1 17 17 TYR CB C 8 37.959 37.959 38.364 -0.405 18219 3155 1 7 . 1 1 17 17 TYR H H 8 8.710 8.710 7.472 1.238 18219 3156 1 7 . 1 1 18 18 ALA N N 9 120.233 120.233 120.360 -0.127 18219 3157 1 7 . 1 1 18 18 ALA HA H 9 3.950 3.950 3.917 0.033 18219 3158 1 7 . 1 1 18 18 ALA C C 9 178.059 178.059 179.022 -0.963 18219 3159 1 7 . 1 1 18 18 ALA CA C 9 54.872 54.872 54.386 0.486 18219 3160 1 7 . 1 1 18 18 ALA CB C 9 17.562 17.562 18.064 -0.502 18219 3161 1 7 . 1 1 18 18 ALA H H 9 7.843 7.843 8.362 -0.519 18219 3162 1 7 . 1 1 19 19 ALA N N 10 121.797 121.797 123.096 -1.299 18219 3163 1 7 . 1 1 19 19 ALA HA H 10 3.950 3.950 3.931 0.019 18219 3164 1 7 . 1 1 19 19 ALA C C 10 176.191 176.191 179.442 -3.251 18219 3165 1 7 . 1 1 19 19 ALA CA C 10 54.600 54.600 54.943 -0.343 18219 3166 1 7 . 1 1 19 19 ALA CB C 10 17.562 17.562 18.306 -0.744 18219 3167 1 7 . 1 1 19 19 ALA H H 10 8.212 8.212 8.294 -0.082 18219 3168 1 7 . 1 1 20 20 LEU N N 11 119.442 119.442 117.412 2.030 18219 3169 1 7 . 1 1 20 20 LEU HA H 11 3.937 3.937 4.079 -0.142 18219 3170 1 7 . 1 1 20 20 LEU C C 11 176.694 176.694 178.866 -2.172 18219 3171 1 7 . 1 1 20 20 LEU CA C 11 57.800 57.800 57.901 -0.101 18219 3172 1 7 . 1 1 20 20 LEU CB C 11 41.222 41.222 41.064 0.158 18219 3173 1 7 . 1 1 20 20 LEU H H 11 8.065 8.065 8.198 -0.133 18219 3174 1 7 . 1 1 21 21 VAL N N 12 118.323 118.323 120.358 -2.035 18219 3175 1 7 . 1 1 21 21 VAL HA H 12 3.640 3.640 3.521 0.119 18219 3176 1 7 . 1 1 21 21 VAL C C 12 176.536 176.536 178.523 -1.987 18219 3177 1 7 . 1 1 21 21 VAL CA C 12 65.400 65.400 67.022 -1.622 18219 3178 1 7 . 1 1 21 21 VAL CB C 12 31.135 31.135 30.642 0.493 18219 3179 1 7 . 1 1 21 21 VAL H H 12 8.051 8.051 8.337 -0.286 18219 3180 1 7 . 1 1 22 22 THR N N 13 118.298 118.298 116.640 1.658 18219 3181 1 7 . 1 1 22 22 THR HA H 13 4.660 4.660 3.996 0.664 18219 3182 1 7 . 1 1 22 22 THR C C 13 173.734 173.734 176.469 -2.735 18219 3183 1 7 . 1 1 22 22 THR CA C 13 66.300 66.300 67.110 -0.810 18219 3184 1 7 . 1 1 22 22 THR CB C 13 67.775 67.775 68.618 -0.843 18219 3185 1 7 . 1 1 22 22 THR H H 13 7.944 7.944 8.177 -0.233 18219 3186 1 7 . 1 1 23 23 PHE N N 14 121.328 121.328 122.501 -1.173 18219 3187 1 7 . 1 1 23 23 PHE HA H 14 4.340 4.340 4.214 0.126 18219 3188 1 7 . 1 1 23 23 PHE C C 14 174.783 174.783 177.348 -2.565 18219 3189 1 7 . 1 1 23 23 PHE CA C 14 60.500 60.500 61.237 -0.737 18219 3190 1 7 . 1 1 23 23 PHE CB C 14 38.626 38.626 38.821 -0.195 18219 3191 1 7 . 1 1 23 23 PHE H H 14 8.567 8.567 8.354 0.213 18219 3192 1 7 . 1 1 24 24 GLY N N 15 106.871 106.871 105.311 1.560 18219 3193 1 7 . 1 1 24 24 GLY C C 15 172.858 172.858 176.782 -3.924 18219 3194 1 7 . 1 1 24 24 GLY CA C 15 46.900 46.900 47.203 -0.303 18219 3195 1 7 . 1 1 24 24 GLY H H 15 8.475 8.475 8.921 -0.446 18219 3196 1 7 . 1 1 25 25 SER N N 16 116.214 116.214 117.245 -1.031 18219 3197 1 7 . 1 1 25 25 SER HA H 16 4.280 4.280 4.296 -0.016 18219 3198 1 7 . 1 1 25 25 SER CA C 16 60.300 60.300 61.553 -1.253 18219 3199 1 7 . 1 1 25 25 SER CB C 16 62.879 62.879 63.364 -0.485 18219 3200 1 7 . 1 1 25 25 SER H H 16 7.963 7.963 7.941 0.022 18219 3201 1 7 . 1 1 26 26 ILE N N 17 121.024 121.024 121.783 -0.759 18219 3202 1 7 . 1 1 26 26 ILE HA H 17 3.946 3.946 3.787 0.159 18219 3203 1 7 . 1 1 26 26 ILE C C 17 173.935 173.935 178.325 -4.390 18219 3204 1 7 . 1 1 26 26 ILE CA C 17 63.100 63.100 63.786 -0.686 18219 3205 1 7 . 1 1 26 26 ILE CB C 17 38.107 38.107 37.535 0.572 18219 3206 1 7 . 1 1 26 26 ILE H H 17 7.676 7.676 8.119 -0.443 18219 3207 1 7 . 1 1 27 27 PHE N N 18 117.142 117.142 119.548 -2.406 18219 3208 1 7 . 1 1 27 27 PHE HA H 18 4.430 4.430 4.158 0.272 18219 3209 1 7 . 1 1 27 27 PHE C C 18 173.504 173.504 176.391 -2.887 18219 3210 1 7 . 1 1 27 27 PHE CA C 18 58.500 58.500 60.475 -1.975 18219 3211 1 7 . 1 1 27 27 PHE CB C 18 38.774 38.774 39.559 -0.785 18219 3212 1 7 . 1 1 27 27 PHE H H 18 7.703 7.703 8.349 -0.646 18219 3213 1 7 . 1 1 28 28 GLY N N 19 107.303 107.303 106.505 0.798 18219 3214 1 7 . 1 1 28 28 GLY C C 19 171.593 171.593 174.406 -2.813 18219 3215 1 7 . 1 1 28 28 GLY CA C 19 45.600 45.600 45.536 0.064 18219 3216 1 7 . 1 1 28 28 GLY H H 19 7.722 7.722 7.833 -0.111 18219 3217 1 7 . 1 1 29 29 TYR N N 20 119.862 119.862 117.055 2.807 18219 3218 1 7 . 1 1 29 29 TYR HA H 20 4.392 4.392 4.212 0.180 18219 3219 1 7 . 1 1 29 29 TYR C C 20 173.174 173.174 175.253 -2.079 18219 3220 1 7 . 1 1 29 29 TYR CA C 20 58.500 58.500 58.394 0.106 18219 3221 1 7 . 1 1 29 29 TYR CB C 20 38.404 38.404 38.086 0.318 18219 3222 1 7 . 1 1 29 29 TYR H H 20 7.880 7.880 8.615 -0.735 18219 3223 1 7 . 1 1 30 30 LYS N N 21 122.335 122.335 121.856 0.479 18219 3224 1 7 . 1 1 30 30 LYS HA H 21 4.390 4.390 3.845 0.545 18219 3225 1 7 . 1 1 30 30 LYS C C 21 173.547 173.547 176.369 -2.822 18219 3226 1 7 . 1 1 30 30 LYS CA C 21 55.800 55.800 56.790 -0.990 18219 3227 1 7 . 1 1 30 30 LYS CB C 21 32.396 32.396 33.023 -0.627 18219 3228 1 7 . 1 1 30 30 LYS H H 21 7.934 7.934 8.078 -0.144 18219 3229 1 7 . 1 1 31 31 ARG N N 22 120.612 120.612 119.719 0.893 18219 3230 1 7 . 1 1 31 31 ARG C C 22 173.547 173.547 176.529 -2.982 18219 3231 1 7 . 1 1 31 31 ARG CA C 22 55.834 55.834 55.663 0.171 18219 3232 1 7 . 1 1 31 31 ARG CB C 22 30.101 30.101 30.718 -0.618 18219 3233 1 7 . 1 1 31 31 ARG H H 22 7.905 7.905 8.357 -0.452 18219 3234 1 7 . 1 1 32 32 ARG N N 23 121.748 121.748 122.883 -1.135 18219 3235 1 7 . 1 1 32 32 ARG HA H 23 4.310 4.310 4.385 -0.075 18219 3236 1 7 . 1 1 32 32 ARG C C 23 173.863 173.863 176.451 -2.588 18219 3237 1 7 . 1 1 32 32 ARG CA C 23 55.800 55.800 56.105 -0.305 18219 3238 1 7 . 1 1 32 32 ARG CB C 23 30.245 30.245 30.727 -0.482 18219 3239 1 7 . 1 1 32 32 ARG H H 23 8.175 8.175 8.726 -0.551 18219 3240 1 7 . 1 1 33 33 GLY N N 24 109.528 109.528 104.796 4.732 18219 3241 1 7 . 1 1 33 33 GLY C C 24 171.752 171.752 172.557 -0.805 18219 3242 1 7 . 1 1 33 33 GLY CA C 24 44.900 44.900 44.634 0.266 18219 3243 1 7 . 1 1 33 33 GLY H H 24 8.264 8.264 8.254 0.010 18219 3244 1 7 . 1 1 34 34 GLY N N 25 108.563 108.563 108.186 0.377 18219 3245 1 7 . 1 1 34 34 GLY C C 25 171.701 171.701 174.923 -3.222 18219 3246 1 7 . 1 1 34 34 GLY CA C 25 44.600 44.600 45.471 -0.871 18219 3247 1 7 . 1 1 34 34 GLY H H 25 8.208 8.208 8.072 0.136 18219 3248 1 7 . 1 1 35 35 VAL N N 26 121.164 121.164 121.717 -0.553 18219 3249 1 7 . 1 1 35 35 VAL HA H 26 4.010 4.010 4.045 -0.035 18219 3250 1 7 . 1 1 35 35 VAL C C 26 175.888 175.888 174.798 1.090 18219 3251 1 7 . 1 1 35 35 VAL CA C 26 63.900 63.900 63.452 0.448 18219 3252 1 7 . 1 1 35 35 VAL CB C 26 30.690 30.690 31.492 -0.802 18219 3253 1 7 . 1 1 35 35 VAL H H 26 8.485 8.485 8.073 0.412 18219 3254 1 7 . 1 1 36 36 PRO C C 27 177.660 177.660 176.250 1.410 18219 3255 1 7 . 1 1 36 36 PRO CA C 27 61.847 61.847 63.213 -1.366 18219 3256 1 7 . 1 1 37 37 SER N N 28 116.023 116.023 118.324 -2.301 18219 3257 1 7 . 1 1 37 37 SER HA H 28 4.280 4.280 4.409 -0.129 18219 3258 1 7 . 1 1 37 37 SER CA C 28 61.100 61.100 60.239 0.861 18219 3259 1 7 . 1 1 37 37 SER H H 28 7.948 7.948 8.555 -0.607 18219 3260 1 7 . 1 1 38 38 LEU N N 29 124.029 124.029 121.268 2.761 18219 3261 1 7 . 1 1 38 38 LEU HA H 29 4.170 4.170 4.146 0.024 18219 3262 1 7 . 1 1 38 38 LEU C C 29 176.132 176.132 178.598 -2.466 18219 3263 1 7 . 1 1 38 38 LEU CA C 29 57.500 57.500 58.249 -0.749 18219 3264 1 7 . 1 1 38 38 LEU CB C 29 42.038 42.038 40.562 1.476 18219 3265 1 7 . 1 1 38 38 LEU H H 29 8.201 8.201 7.667 0.534 18219 3266 1 7 . 1 1 39 39 ILE N N 30 117.098 117.098 115.104 1.994 18219 3267 1 7 . 1 1 39 39 ILE HA H 30 4.370 4.370 3.967 0.403 18219 3268 1 7 . 1 1 39 39 ILE C C 30 176.478 176.478 177.390 -0.912 18219 3269 1 7 . 1 1 39 39 ILE CA C 30 63.079 63.079 63.764 -0.685 18219 3270 1 7 . 1 1 39 39 ILE CB C 30 36.973 36.973 36.486 0.487 18219 3271 1 7 . 1 1 39 39 ILE H H 30 7.662 7.662 8.056 -0.394 18219 3272 1 7 . 1 1 40 40 ALA N N 31 122.447 122.447 123.650 -1.203 18219 3273 1 7 . 1 1 40 40 ALA HA H 31 4.034 4.034 4.132 -0.098 18219 3274 1 7 . 1 1 40 40 ALA C C 31 177.067 177.067 179.823 -2.756 18219 3275 1 7 . 1 1 40 40 ALA CA C 31 55.962 55.962 55.444 0.519 18219 3276 1 7 . 1 1 40 40 ALA CB C 31 17.856 17.856 17.889 -0.033 18219 3277 1 7 . 1 1 40 40 ALA H H 31 8.096 8.096 7.526 0.570 18219 3278 1 7 . 1 1 41 41 GLY N N 32 104.056 104.056 107.544 -3.488 18219 3279 1 7 . 1 1 41 41 GLY C C 32 174.251 174.251 175.987 -1.736 18219 3280 1 7 . 1 1 41 41 GLY CA C 32 46.500 46.500 46.826 -0.326 18219 3281 1 7 . 1 1 41 41 GLY H H 32 8.123 8.123 8.203 -0.080 18219 3282 1 7 . 1 1 42 42 LEU N N 33 123.250 123.250 123.335 -0.085 18219 3283 1 7 . 1 1 42 42 LEU HA H 33 3.857 3.857 3.990 -0.133 18219 3284 1 7 . 1 1 42 42 LEU C C 33 176.033 176.033 178.361 -2.328 18219 3285 1 7 . 1 1 42 42 LEU CA C 33 56.668 56.668 58.270 -1.602 18219 3286 1 7 . 1 1 42 42 LEU CB C 33 41.721 41.721 41.980 -0.259 18219 3287 1 7 . 1 1 42 42 LEU H H 33 7.914 7.914 8.495 -0.581 18219 3288 1 7 . 1 1 43 43 PHE N N 34 119.757 119.757 118.847 0.910 18219 3289 1 7 . 1 1 43 43 PHE HA H 34 4.200 4.200 4.128 0.072 18219 3290 1 7 . 1 1 43 43 PHE C C 34 174.374 174.374 177.534 -3.160 18219 3291 1 7 . 1 1 43 43 PHE CA C 34 59.876 59.876 62.066 -2.190 18219 3292 1 7 . 1 1 43 43 PHE CB C 34 38.834 38.834 39.033 -0.200 18219 3293 1 7 . 1 1 43 43 PHE H H 34 8.287 8.287 8.238 0.049 18219 3294 1 7 . 1 1 44 44 VAL N N 35 117.791 117.791 118.754 -0.963 18219 3295 1 7 . 1 1 44 44 VAL HA H 35 3.610 3.610 3.724 -0.114 18219 3296 1 7 . 1 1 44 44 VAL C C 35 176.205 176.205 178.676 -2.471 18219 3297 1 7 . 1 1 44 44 VAL CA C 35 64.559 64.559 66.515 -1.956 18219 3298 1 7 . 1 1 44 44 VAL CB C 35 31.432 31.432 30.921 0.511 18219 3299 1 7 . 1 1 44 44 VAL H H 35 8.235 8.235 8.353 -0.118 18219 3300 1 7 . 1 1 45 45 GLY N N 36 108.551 108.551 107.755 0.796 18219 3301 1 7 . 1 1 45 45 GLY C C 36 173.749 173.749 175.779 -2.030 18219 3302 1 7 . 1 1 45 45 GLY CA C 36 46.083 46.083 47.219 -1.136 18219 3303 1 7 . 1 1 45 45 GLY H H 36 8.178 8.178 8.480 -0.302 18219 3304 1 7 . 1 1 46 46 CYS N N 37 121.173 121.173 122.236 -1.063 18219 3305 1 7 . 1 1 46 46 CYS HA H 37 4.180 4.180 4.066 0.114 18219 3306 1 7 . 1 1 46 46 CYS C C 37 173.710 173.710 176.534 -2.824 18219 3307 1 7 . 1 1 46 46 CYS CA C 37 63.000 63.000 63.900 -0.900 18219 3308 1 7 . 1 1 46 46 CYS CB C 37 60.283 60.283 27.780 32.503 18219 3309 1 7 . 1 1 46 46 CYS H H 37 8.253 8.253 8.029 0.224 18219 3310 1 7 . 1 1 47 47 LEU N N 38 120.283 120.283 119.928 0.355 18219 3311 1 7 . 1 1 47 47 LEU HA H 38 4.060 4.060 4.083 -0.023 18219 3312 1 7 . 1 1 47 47 LEU C C 38 176.679 176.679 178.198 -1.519 18219 3313 1 7 . 1 1 47 47 LEU CA C 38 56.027 56.027 57.994 -1.967 18219 3314 1 7 . 1 1 47 47 LEU CB C 38 41.464 41.464 40.931 0.533 18219 3315 1 7 . 1 1 47 47 LEU H H 38 7.965 7.965 8.406 -0.441 18219 3316 1 7 . 1 1 48 48 ALA N N 39 122.249 122.249 122.529 -0.280 18219 3317 1 7 . 1 1 48 48 ALA HA H 39 4.142 4.142 3.981 0.161 18219 3318 1 7 . 1 1 48 48 ALA C C 39 177.915 177.915 179.524 -1.609 18219 3319 1 7 . 1 1 48 48 ALA CA C 39 53.717 53.717 55.200 -1.483 18219 3320 1 7 . 1 1 48 48 ALA CB C 39 17.985 17.985 18.033 -0.048 18219 3321 1 7 . 1 1 48 48 ALA H H 39 8.066 8.066 8.182 -0.116 18219 3322 1 7 . 1 1 49 49 GLY N N 40 107.377 107.377 107.393 -0.016 18219 3323 1 7 . 1 1 49 49 GLY C C 40 172.527 172.527 175.543 -3.016 18219 3324 1 7 . 1 1 49 49 GLY CA C 40 45.450 45.450 46.629 -1.179 18219 3325 1 7 . 1 1 49 49 GLY H H 40 8.172 8.172 8.093 0.079 18219 3326 1 7 . 1 1 50 50 TYR N N 41 122.409 122.409 123.464 -1.055 18219 3327 1 7 . 1 1 50 50 TYR HA H 41 3.799 3.799 4.063 -0.264 18219 3328 1 7 . 1 1 50 50 TYR C C 41 174.208 174.208 176.613 -2.405 18219 3329 1 7 . 1 1 50 50 TYR CA C 41 59.245 59.245 61.455 -2.210 18219 3330 1 7 . 1 1 50 50 TYR CB C 41 37.936 37.936 38.505 -0.569 18219 3331 1 7 . 1 1 50 50 TYR H H 41 7.800 7.800 8.344 -0.544 18219 3332 1 7 . 1 1 51 51 GLY N N 42 106.935 106.935 103.856 3.079 18219 3333 1 7 . 1 1 51 51 GLY C C 42 172.642 172.642 175.324 -2.682 18219 3334 1 7 . 1 1 51 51 GLY CA C 42 46.265 46.265 45.346 0.919 18219 3335 1 7 . 1 1 51 51 GLY H H 42 8.199 8.199 8.108 0.091 18219 3336 1 7 . 1 1 52 52 ALA N N 43 123.018 123.018 125.862 -2.844 18219 3337 1 7 . 1 1 52 52 ALA HA H 43 4.150 4.150 3.941 0.209 18219 3338 1 7 . 1 1 52 52 ALA C C 43 176.398 176.398 178.745 -2.347 18219 3339 1 7 . 1 1 52 52 ALA CA C 43 52.883 52.883 54.620 -1.737 18219 3340 1 7 . 1 1 52 52 ALA CB C 43 18.241 18.241 18.239 0.002 18219 3341 1 7 . 1 1 52 52 ALA H H 43 7.758 7.758 8.151 -0.393 18219 3342 1 7 . 1 1 53 53 TYR N N 44 119.664 119.664 118.641 1.023 18219 3343 1 7 . 1 1 53 53 TYR HA H 44 4.318 4.318 4.196 0.122 18219 3344 1 7 . 1 1 53 53 TYR C C 44 174.180 174.180 177.413 -3.233 18219 3345 1 7 . 1 1 53 53 TYR CA C 44 58.593 58.593 61.158 -2.565 18219 3346 1 7 . 1 1 53 53 TYR CB C 44 38.192 38.192 38.534 -0.342 18219 3347 1 7 . 1 1 53 53 TYR H H 44 7.920 7.920 8.363 -0.443 18219 3348 1 7 . 1 1 54 54 ARG N N 45 119.516 119.516 117.070 2.446 18219 3349 1 7 . 1 1 54 54 ARG HA H 45 3.930 3.930 4.500 -0.570 18219 3350 1 7 . 1 1 54 54 ARG C C 45 174.423 174.423 177.511 -3.088 18219 3351 1 7 . 1 1 54 54 ARG CA C 45 56.027 56.027 56.488 -0.461 18219 3352 1 7 . 1 1 54 54 ARG CB C 45 30.173 30.173 31.267 -1.094 18219 3353 1 7 . 1 1 54 54 ARG H H 45 7.956 7.956 7.902 0.054 18219 3354 1 7 . 1 1 55 55 VAL N N 46 116.437 116.437 119.929 -3.492 18219 3355 1 7 . 1 1 55 55 VAL HA H 46 4.060 4.060 3.981 0.079 18219 3356 1 7 . 1 1 55 55 VAL C C 46 173.806 173.806 175.457 -1.651 18219 3357 1 7 . 1 1 55 55 VAL CA C 46 62.300 62.300 63.175 -0.875 18219 3358 1 7 . 1 1 55 55 VAL CB C 46 31.521 31.521 32.059 -0.538 18219 3359 1 7 . 1 1 55 55 VAL H H 46 7.489 7.489 8.007 -0.518 18219 3360 1 7 . 1 1 56 56 SER N N 47 117.185 117.185 114.420 2.765 18219 3361 1 7 . 1 1 56 56 SER HA H 47 4.401 4.401 4.195 0.206 18219 3362 1 7 . 1 1 56 56 SER C C 47 172.074 172.074 175.680 -3.606 18219 3363 1 7 . 1 1 56 56 SER CA C 47 58.133 58.133 60.798 -2.665 18219 3364 1 7 . 1 1 56 56 SER CB C 47 63.468 63.468 63.204 0.264 18219 3365 1 7 . 1 1 56 56 SER H H 47 7.728 7.728 7.560 0.168 18219 3366 1 7 . 1 1 57 57 ASN N N 48 121.049 121.049 124.445 -3.396 18219 3367 1 7 . 1 1 57 57 ASN HA H 48 4.590 4.590 4.417 0.173 18219 3368 1 7 . 1 1 57 57 ASN CA C 48 53.600 53.600 55.798 -2.198 18219 3369 1 7 . 1 1 57 57 ASN CB C 48 38.641 38.641 37.304 1.337 18219 3370 1 7 . 1 1 57 57 ASN H H 48 8.228 8.228 8.881 -0.653 18219 3371 1 7 . 1 1 58 58 ASP N N 49 120.276 120.276 123.253 -2.977 18219 3372 1 7 . 1 1 58 58 ASP HA H 49 4.530 4.530 4.536 -0.006 18219 3373 1 7 . 1 1 58 58 ASP CA C 49 54.202 54.202 54.984 -0.782 18219 3374 1 7 . 1 1 58 58 ASP CB C 49 40.374 40.374 41.999 -1.625 18219 3375 1 7 . 1 1 58 58 ASP H H 49 8.192 8.192 8.159 0.033 18219 3376 1 7 . 1 1 59 59 LYS N N 50 120.660 120.660 115.872 4.788 18219 3377 1 7 . 1 1 59 59 LYS HA H 50 4.200 4.200 4.384 -0.184 18219 3378 1 7 . 1 1 59 59 LYS C C 50 173.474 173.474 175.421 -1.947 18219 3379 1 7 . 1 1 59 59 LYS CA C 50 56.300 56.300 55.971 0.329 18219 3380 1 7 . 1 1 59 59 LYS CB C 50 32.034 32.034 34.700 -2.666 18219 3381 1 7 . 1 1 59 59 LYS H H 50 8.003 8.003 7.593 0.410 18219 3382 1 7 . 1 1 60 60 ARG N N 51 121.278 121.278 122.506 -1.228 18219 3383 1 7 . 1 1 60 60 ARG HA H 51 4.200 4.200 3.880 0.320 18219 3384 1 7 . 1 1 60 60 ARG C C 51 173.303 173.303 176.384 -3.081 18219 3385 1 7 . 1 1 60 60 ARG CA C 51 56.283 56.283 59.540 -3.257 18219 3386 1 7 . 1 1 60 60 ARG CB C 51 30.238 30.238 30.165 0.073 18219 3387 1 7 . 1 1 60 60 ARG H H 51 8.091 8.091 8.813 -0.722 18219 3388 1 7 . 1 1 61 61 ASP N N 52 121.185 121.185 113.067 8.118 18219 3389 1 7 . 1 1 61 61 ASP HA H 52 4.615 4.615 4.546 0.069 18219 3390 1 7 . 1 1 61 61 ASP C C 52 173.777 173.777 176.891 -3.114 18219 3391 1 7 . 1 1 61 61 ASP CA C 52 53.979 53.979 55.934 -1.955 18219 3392 1 7 . 1 1 61 61 ASP CB C 52 40.245 40.245 40.575 -0.330 18219 3393 1 7 . 1 1 61 61 ASP H H 52 8.261 8.261 8.245 0.016 18219 3394 1 7 . 1 1 62 62 VAL N N 53 121.902 121.902 121.718 0.184 18219 3395 1 7 . 1 1 62 62 VAL HA H 53 3.950 3.950 4.101 -0.151 18219 3396 1 7 . 1 1 62 62 VAL C C 53 173.279 173.279 177.147 -3.868 18219 3397 1 7 . 1 1 62 62 VAL CA C 53 63.176 63.176 63.862 -0.687 18219 3398 1 7 . 1 1 62 62 VAL CB C 53 32.099 32.099 31.615 0.484 18219 3399 1 7 . 1 1 62 62 VAL H H 53 7.997 7.997 8.053 -0.056 18219 3400 1 7 . 1 1 63 63 LYS N N 54 123.522 123.522 121.494 2.028 18219 3401 1 7 . 1 1 63 63 LYS HA H 54 4.260 4.260 4.102 0.158 18219 3402 1 7 . 1 1 63 63 LYS C C 54 174.481 174.481 178.266 -3.785 18219 3403 1 7 . 1 1 63 63 LYS CA C 54 56.347 56.347 59.721 -3.374 18219 3404 1 7 . 1 1 63 63 LYS CB C 54 32.099 32.099 32.068 0.031 18219 3405 1 7 . 1 1 63 63 LYS H H 54 8.054 8.054 8.088 -0.034 18219 3406 1 7 . 1 1 64 64 VAL N N 55 120.647 120.647 117.362 3.285 18219 3407 1 7 . 1 1 64 64 VAL HA H 55 3.947 3.947 3.800 0.147 18219 3408 1 7 . 1 1 64 64 VAL C C 55 174.955 174.955 177.776 -2.821 18219 3409 1 7 . 1 1 64 64 VAL CA C 55 64.600 64.600 65.239 -0.639 18219 3410 1 7 . 1 1 64 64 VAL CB C 55 31.877 31.877 31.087 0.790 18219 3411 1 7 . 1 1 64 64 VAL H H 55 8.225 8.225 7.956 0.269 18219 3412 1 7 . 1 1 65 65 SER N N 56 117.785 117.785 116.524 1.261 18219 3413 1 7 . 1 1 65 65 SER HA H 56 4.390 4.390 4.138 0.252 18219 3414 1 7 . 1 1 65 65 SER C C 56 172.300 172.300 176.606 -4.306 18219 3415 1 7 . 1 1 65 65 SER CA C 56 60.000 60.000 62.392 -2.392 18219 3416 1 7 . 1 1 65 65 SER CB C 56 62.879 62.879 63.086 -0.207 18219 3417 1 7 . 1 1 65 65 SER H H 56 8.260 8.260 7.661 0.599 18219 3418 1 7 . 1 1 66 66 LEU N N 57 123.318 123.318 122.146 1.172 18219 3419 1 7 . 1 1 66 66 LEU HA H 57 4.090 4.090 4.196 -0.106 18219 3420 1 7 . 1 1 66 66 LEU C C 57 175.932 175.932 178.324 -2.392 18219 3421 1 7 . 1 1 66 66 LEU CA C 57 57.502 57.502 57.992 -0.490 18219 3422 1 7 . 1 1 66 66 LEU CB C 57 41.721 41.721 42.267 -0.546 18219 3423 1 7 . 1 1 66 66 LEU H H 57 8.091 8.091 8.168 -0.077 18219 3424 1 7 . 1 1 67 67 PHE N N 58 118.020 118.020 119.112 -1.092 18219 3425 1 7 . 1 1 67 67 PHE HA H 58 4.330 4.330 4.041 0.289 18219 3426 1 7 . 1 1 67 67 PHE C C 58 174.912 174.912 177.517 -2.605 18219 3427 1 7 . 1 1 67 67 PHE CA C 58 60.600 60.600 61.799 -1.199 18219 3428 1 7 . 1 1 67 67 PHE CB C 58 38.552 38.552 38.739 -0.187 18219 3429 1 7 . 1 1 67 67 PHE H H 58 8.066 8.066 8.773 -0.707 18219 3430 1 7 . 1 1 68 68 THR N N 59 115.324 115.324 116.272 -0.948 18219 3431 1 7 . 1 1 68 68 THR HA H 59 4.310 4.310 4.256 0.054 18219 3432 1 7 . 1 1 68 68 THR C C 59 173.380 173.380 176.362 -2.982 18219 3433 1 7 . 1 1 68 68 THR CA C 59 66.313 66.313 67.142 -0.829 18219 3434 1 7 . 1 1 68 68 THR CB C 59 67.700 67.700 68.629 -0.929 18219 3435 1 7 . 1 1 68 68 THR H H 59 8.287 8.287 8.530 -0.243 18219 3436 1 7 . 1 1 69 69 ALA N N 60 123.621 123.621 124.895 -1.274 18219 3437 1 7 . 1 1 69 69 ALA HA H 60 4.280 4.280 4.082 0.198 18219 3438 1 7 . 1 1 69 69 ALA C C 60 176.978 176.978 179.910 -2.932 18219 3439 1 7 . 1 1 69 69 ALA CA C 60 55.100 55.100 55.117 -0.017 18219 3440 1 7 . 1 1 69 69 ALA CB C 60 17.728 17.728 18.244 -0.516 18219 3441 1 7 . 1 1 69 69 ALA H H 60 7.983 7.983 8.047 -0.064 18219 3442 1 7 . 1 1 70 70 PHE N N 61 118.520 118.520 118.361 0.159 18219 3443 1 7 . 1 1 70 70 PHE HA H 61 4.260 4.260 4.211 0.049 18219 3444 1 7 . 1 1 70 70 PHE C C 61 175.369 175.369 177.310 -1.941 18219 3445 1 7 . 1 1 70 70 PHE CA C 61 60.179 60.179 60.633 -0.454 18219 3446 1 7 . 1 1 70 70 PHE CB C 61 38.706 38.706 39.029 -0.323 18219 3447 1 7 . 1 1 70 70 PHE H H 61 8.007 8.007 8.804 -0.797 18219 3448 1 7 . 1 1 71 71 PHE N N 62 122.314 122.314 120.686 1.628 18219 3449 1 7 . 1 1 71 71 PHE HA H 62 4.000 4.000 4.050 -0.050 18219 3450 1 7 . 1 1 71 71 PHE C C 62 174.697 174.697 177.282 -2.585 18219 3451 1 7 . 1 1 71 71 PHE CA C 62 60.517 60.517 62.092 -1.575 18219 3452 1 7 . 1 1 71 71 PHE CB C 62 38.770 38.770 38.994 -0.224 18219 3453 1 7 . 1 1 71 71 PHE H H 62 8.546 8.546 8.144 0.402 18219 3454 1 7 . 1 1 72 72 LEU N N 63 119.399 119.399 120.213 -0.814 18219 3455 1 7 . 1 1 72 72 LEU HA H 63 3.870 3.870 3.683 0.187 18219 3456 1 7 . 1 1 72 72 LEU C C 63 175.774 175.774 178.362 -2.588 18219 3457 1 7 . 1 1 72 72 LEU CA C 63 56.925 56.925 58.617 -1.692 18219 3458 1 7 . 1 1 72 72 LEU CB C 63 41.207 41.207 41.786 -0.579 18219 3459 1 7 . 1 1 72 72 LEU H H 63 8.396 8.396 8.824 -0.428 18219 3460 1 7 . 1 1 73 73 ALA N N 64 120.221 120.221 120.253 -0.032 18219 3461 1 7 . 1 1 73 73 ALA HA H 64 3.960 3.960 3.830 0.130 18219 3462 1 7 . 1 1 73 73 ALA C C 64 177.267 177.267 179.861 -2.594 18219 3463 1 7 . 1 1 73 73 ALA CA C 64 54.600 54.600 55.370 -0.770 18219 3464 1 7 . 1 1 73 73 ALA CB C 64 17.784 17.784 17.807 -0.023 18219 3465 1 7 . 1 1 73 73 ALA H H 64 8.025 8.025 8.082 -0.057 18219 3466 1 7 . 1 1 74 74 THR N N 65 113.648 113.648 114.902 -1.254 18219 3467 1 7 . 1 1 74 74 THR HA H 65 3.980 3.980 4.088 -0.108 18219 3468 1 7 . 1 1 74 74 THR CA C 65 66.291 66.291 66.381 -0.090 18219 3469 1 7 . 1 1 74 74 THR CB C 65 67.914 67.914 69.050 -1.136 18219 3470 1 7 . 1 1 74 74 THR H H 65 7.717 7.717 7.937 -0.220 18219 3471 1 7 . 1 1 75 75 ILE N N 66 120.291 120.291 121.488 -1.197 18219 3472 1 7 . 1 1 75 75 ILE HA H 66 3.740 3.740 3.546 0.194 18219 3473 1 7 . 1 1 75 75 ILE C C 66 174.951 174.951 177.378 -2.427 18219 3474 1 7 . 1 1 75 75 ILE CA C 66 64.880 64.880 64.048 0.832 18219 3475 1 7 . 1 1 75 75 ILE CB C 66 37.166 37.166 37.173 -0.007 18219 3476 1 7 . 1 1 75 75 ILE H H 66 7.738 7.738 8.021 -0.283 18219 3477 1 7 . 1 1 76 76 MET N N 67 117.618 117.618 117.350 0.268 18219 3478 1 7 . 1 1 76 76 MET HA H 67 4.220 4.220 4.241 -0.021 18219 3479 1 7 . 1 1 76 76 MET C C 67 175.142 175.142 176.756 -1.614 18219 3480 1 7 . 1 1 76 76 MET CA C 67 56.723 56.723 57.896 -1.173 18219 3481 1 7 . 1 1 76 76 MET CB C 67 31.951 31.951 34.216 -2.265 18219 3482 1 7 . 1 1 76 76 MET H H 67 7.823 7.823 8.438 -0.615 18219 3483 1 7 . 1 1 77 77 GLY N N 68 107.110 107.110 104.664 2.446 18219 3484 1 7 . 1 1 77 77 GLY C C 68 172.260 172.260 174.315 -2.055 18219 3485 1 7 . 1 1 77 77 GLY CA C 68 45.800 45.800 44.450 1.350 18219 3486 1 7 . 1 1 77 77 GLY H H 68 7.937 7.937 8.031 -0.094 18219 3487 1 7 . 1 1 78 78 VAL N N 69 120.431 120.431 119.696 0.735 18219 3488 1 7 . 1 1 78 78 VAL HA H 69 4.220 4.220 3.935 0.285 18219 3489 1 7 . 1 1 78 78 VAL CA C 69 63.900 63.900 64.505 -0.605 18219 3490 1 7 . 1 1 78 78 VAL CB C 69 31.506 31.506 32.116 -0.610 18219 3491 1 7 . 1 1 78 78 VAL H H 69 7.697 7.697 8.495 -0.798 18219 3492 1 7 . 1 1 79 79 ARG N N 70 121.420 121.420 120.399 1.021 18219 3493 1 7 . 1 1 79 79 ARG HA H 70 3.810 3.810 4.373 -0.563 18219 3494 1 7 . 1 1 79 79 ARG CA C 70 56.400 56.400 56.063 0.337 18219 3495 1 7 . 1 1 79 79 ARG CB C 70 30.097 30.097 29.750 0.347 18219 3496 1 7 . 1 1 79 79 ARG H H 70 7.889 7.889 7.892 -0.003 18219 3497 1 7 . 1 1 80 80 PHE N N 71 119.949 119.949 124.585 -4.636 18219 3498 1 7 . 1 1 80 80 PHE HA H 71 4.510 4.510 4.671 -0.161 18219 3499 1 7 . 1 1 80 80 PHE CA C 71 58.600 58.600 59.048 -0.448 18219 3500 1 7 . 1 1 80 80 PHE CB C 71 39.145 39.145 41.301 -2.156 18219 3501 1 7 . 1 1 80 80 PHE H H 71 8.101 8.101 8.406 -0.305 18219 3502 1 7 . 1 1 81 81 LYS N N 72 122.193 122.193 121.641 0.552 18219 3503 1 7 . 1 1 81 81 LYS CA C 72 56.800 56.800 55.916 0.883 18219 3504 1 7 . 1 1 81 81 LYS CB C 72 32.322 32.322 33.149 -0.827 18219 3505 1 7 . 1 1 81 81 LYS H H 72 8.090 8.090 8.215 -0.125 18219 3506 1 7 . 1 1 82 82 ARG N N 73 119.650 119.650 123.642 -3.992 18219 3507 1 7 . 1 1 82 82 ARG CA C 73 56.089 56.089 57.573 -1.484 18219 3508 1 7 . 1 1 82 82 ARG CB C 73 30.171 30.171 29.633 0.538 18219 3509 1 7 . 1 1 82 82 ARG H H 73 8.052 8.052 8.499 -0.447 18219 3510 1 7 . 1 1 83 83 SER N N 74 115.734 115.734 119.378 -3.644 18219 3511 1 7 . 1 1 83 83 SER CA C 74 58.355 58.355 58.380 -0.025 18219 3512 1 7 . 1 1 83 83 SER CB C 74 63.404 63.404 63.658 -0.254 18219 3513 1 7 . 1 1 83 83 SER H H 74 7.912 7.912 8.315 -0.403 18219 3514 1 7 . 1 1 84 84 LYS N N 75 122.370 122.370 121.696 0.674 18219 3515 1 7 . 1 1 84 84 LYS CA C 75 56.135 56.135 56.895 -0.760 18219 3516 1 7 . 1 1 84 84 LYS CB C 75 32.175 32.175 31.784 0.391 18219 3517 1 7 . 1 1 84 84 LYS H H 75 8.067 8.067 8.636 -0.569 18219 3518 1 7 . 1 1 86 86 ILE N N 77 119.592 119.592 118.651 0.941 18219 3519 1 7 . 1 1 86 86 ILE HA H 77 3.810 3.810 4.082 -0.272 18219 3520 1 7 . 1 1 86 86 ILE CA C 77 64.900 64.900 61.458 3.442 18219 3521 1 7 . 1 1 86 86 ILE CB C 77 39.145 39.145 38.801 0.344 18219 3522 1 7 . 1 1 86 86 ILE H H 77 7.837 7.837 7.489 0.348 18219 3523 1 7 . 1 1 87 87 MET N N 78 121.645 121.645 120.025 1.620 18219 3524 1 7 . 1 1 87 87 MET CA C 78 52.982 52.982 59.477 -6.495 18219 3525 1 7 . 1 1 87 87 MET CB C 78 32.173 32.173 30.685 1.488 18219 3526 1 7 . 1 1 87 87 MET H H 78 7.950 7.950 8.200 -0.250 18219 3527 1 7 . 1 1 88 88 PRO HA H 79 4.140 4.140 4.507 -0.367 18219 3528 1 7 . 1 1 88 88 PRO C C 79 173.921 173.921 175.834 -1.913 18219 3529 1 7 . 1 1 88 88 PRO CA C 79 62.800 62.800 62.531 0.269 18219 3530 1 7 . 1 1 88 88 PRO CB C 79 31.136 31.136 29.437 1.699 18219 3531 1 7 . 1 1 89 89 ALA N N 80 124.431 124.431 123.601 0.830 18219 3532 1 7 . 1 1 89 89 ALA HA H 80 4.400 4.400 4.195 0.205 18219 3533 1 7 . 1 1 89 89 ALA C C 80 176.234 176.234 178.795 -2.561 18219 3534 1 7 . 1 1 89 89 ALA CA C 80 53.300 53.300 54.812 -1.512 18219 3535 1 7 . 1 1 89 89 ALA CB C 80 18.498 18.498 19.237 -0.739 18219 3536 1 7 . 1 1 89 89 ALA H H 80 8.320 8.320 8.390 -0.070 18219 3537 1 7 . 1 1 90 90 GLY N N 81 106.834 106.834 106.430 0.404 18219 3538 1 7 . 1 1 90 90 GLY C C 81 172.398 172.398 175.284 -2.886 18219 3539 1 7 . 1 1 90 90 GLY CA C 81 45.600 45.600 46.879 -1.279 18219 3540 1 7 . 1 1 90 90 GLY H H 81 8.458 8.458 8.537 -0.079 18219 3541 1 7 . 1 1 91 91 LEU N N 82 121.043 121.043 120.995 0.048 18219 3542 1 7 . 1 1 91 91 LEU HA H 82 4.200 4.200 3.993 0.207 18219 3543 1 7 . 1 1 91 91 LEU C C 82 174.783 174.783 178.401 -3.618 18219 3544 1 7 . 1 1 91 91 LEU CA C 82 56.300 56.300 58.045 -1.745 18219 3545 1 7 . 1 1 91 91 LEU CB C 82 42.106 42.106 42.256 -0.150 18219 3546 1 7 . 1 1 91 91 LEU H H 82 7.687 7.687 7.389 0.298 18219 3547 1 7 . 1 1 92 92 VAL N N 83 114.737 114.737 119.025 -4.288 18219 3548 1 7 . 1 1 92 92 VAL HA H 83 3.980 3.980 3.591 0.389 18219 3549 1 7 . 1 1 92 92 VAL C C 83 173.634 173.634 177.884 -4.250 18219 3550 1 7 . 1 1 92 92 VAL CA C 83 62.400 62.400 67.227 -4.827 18219 3551 1 7 . 1 1 92 92 VAL CB C 83 31.585 31.585 31.458 0.127 18219 3552 1 7 . 1 1 92 92 VAL H H 83 7.602 7.602 7.809 -0.207 18219 3553 1 7 . 1 1 93 93 ALA N N 84 124.320 124.320 120.919 3.401 18219 3554 1 7 . 1 1 93 93 ALA HA H 84 4.150 4.150 4.037 0.113 18219 3555 1 7 . 1 1 93 93 ALA C C 84 175.746 175.746 179.844 -4.098 18219 3556 1 7 . 1 1 93 93 ALA CA C 84 53.300 53.300 55.384 -2.084 18219 3557 1 7 . 1 1 93 93 ALA CB C 84 18.241 18.241 17.867 0.374 18219 3558 1 7 . 1 1 93 93 ALA H H 84 7.891 7.891 8.293 -0.402 18219 3559 1 7 . 1 1 94 94 GLY N N 85 106.807 106.807 107.646 -0.839 18219 3560 1 7 . 1 1 94 94 GLY C C 85 171.752 171.752 175.931 -4.179 18219 3561 1 7 . 1 1 94 94 GLY CA C 85 45.249 45.249 46.589 -1.340 18219 3562 1 7 . 1 1 94 94 GLY H H 85 8.204 8.204 7.847 0.357 18219 3563 1 7 . 1 1 95 95 LEU N N 86 121.266 121.266 122.192 -0.926 18219 3564 1 7 . 1 1 95 95 LEU HA H 86 4.380 4.380 4.134 0.246 18219 3565 1 7 . 1 1 95 95 LEU C C 86 173.702 173.702 179.005 -5.303 18219 3566 1 7 . 1 1 95 95 LEU CA C 86 55.000 55.000 57.356 -2.356 18219 3567 1 7 . 1 1 95 95 LEU CB C 86 42.298 42.298 41.198 1.100 18219 3568 1 7 . 1 1 95 95 LEU H H 86 7.718 7.718 8.044 -0.326 18219 3569 1 7 . 1 1 96 96 SER N N 87 115.658 115.658 115.896 -0.238 18219 3570 1 7 . 1 1 96 96 SER HA H 87 4.370 4.370 4.196 0.174 18219 3571 1 7 . 1 1 96 96 SER C C 87 172.479 172.479 176.662 -4.183 18219 3572 1 7 . 1 1 96 96 SER CA C 87 57.200 57.200 62.411 -5.211 18219 3573 1 7 . 1 1 96 96 SER CB C 87 64.174 64.174 63.113 1.061 18219 3574 1 7 . 1 1 96 96 SER H H 87 7.659 7.659 8.118 -0.459 18219 3575 1 7 . 1 1 97 97 LEU N N 88 123.720 123.720 122.215 1.505 18219 3576 1 7 . 1 1 97 97 LEU HA H 88 4.600 4.600 4.063 0.537 18219 3577 1 7 . 1 1 97 97 LEU C C 88 175.932 175.932 178.928 -2.996 18219 3578 1 7 . 1 1 97 97 LEU CA C 88 57.600 57.600 57.608 -0.008 18219 3579 1 7 . 1 1 97 97 LEU CB C 88 41.400 41.400 41.202 0.198 18219 3580 1 7 . 1 1 97 97 LEU H H 88 8.733 8.733 8.084 0.649 18219 3581 1 7 . 1 1 98 98 MET N N 89 116.684 116.684 120.156 -3.472 18219 3582 1 7 . 1 1 98 98 MET HA H 89 4.280 4.280 4.138 0.142 18219 3583 1 7 . 1 1 98 98 MET C C 89 175.789 175.789 177.908 -2.119 18219 3584 1 7 . 1 1 98 98 MET CA C 89 56.915 56.915 59.205 -2.290 18219 3585 1 7 . 1 1 98 98 MET CB C 89 31.007 31.007 32.757 -1.750 18219 3586 1 7 . 1 1 98 98 MET H H 89 8.342 8.342 8.214 0.128 18219 3587 1 7 . 1 1 99 99 MET N N 90 119.182 119.182 117.697 1.485 18219 3588 1 7 . 1 1 99 99 MET HA H 90 4.110 4.110 4.209 -0.099 18219 3589 1 7 . 1 1 99 99 MET C C 90 175.588 175.588 178.955 -3.367 18219 3590 1 7 . 1 1 99 99 MET CA C 90 57.951 57.951 58.685 -0.734 18219 3591 1 7 . 1 1 99 99 MET CB C 90 32.226 32.226 32.018 0.208 18219 3592 1 7 . 1 1 99 99 MET H H 90 7.720 7.720 8.223 -0.503 18219 3593 1 7 . 1 1 100 100 ILE N N 91 119.077 119.077 120.187 -1.110 18219 3594 1 7 . 1 1 100 100 ILE HA H 91 4.110 4.110 3.973 0.137 18219 3595 1 7 . 1 1 100 100 ILE C C 91 174.634 174.634 177.134 -2.500 18219 3596 1 7 . 1 1 100 100 ILE CA C 91 64.100 64.100 63.865 0.235 18219 3597 1 7 . 1 1 100 100 ILE CB C 91 37.143 37.143 38.566 -1.423 18219 3598 1 7 . 1 1 100 100 ILE H H 91 7.662 7.662 8.312 -0.650 18219 3599 1 7 . 1 1 101 101 LEU N N 92 119.646 119.646 121.499 -1.853 18219 3600 1 7 . 1 1 101 101 LEU HA H 92 4.530 4.530 3.949 0.581 18219 3601 1 7 . 1 1 101 101 LEU C C 92 175.430 175.430 178.563 -3.133 18219 3602 1 7 . 1 1 101 101 LEU CA C 92 57.800 57.800 57.967 -0.167 18219 3603 1 7 . 1 1 101 101 LEU CB C 92 40.758 40.758 41.743 -0.985 18219 3604 1 7 . 1 1 101 101 LEU H H 92 8.142 8.142 7.713 0.428 18219 3605 1 7 . 1 1 102 102 ARG N N 93 116.394 116.394 118.154 -1.760 18219 3606 1 7 . 1 1 102 102 ARG HA H 93 4.140 4.140 4.300 -0.160 18219 3607 1 7 . 1 1 102 102 ARG C C 93 175.961 175.961 178.498 -2.537 18219 3608 1 7 . 1 1 102 102 ARG CA C 93 59.100 59.100 58.255 0.845 18219 3609 1 7 . 1 1 102 102 ARG CB C 93 29.404 29.404 30.502 -1.098 18219 3610 1 7 . 1 1 102 102 ARG H H 93 7.893 7.893 8.260 -0.367 18219 3611 1 7 . 1 1 103 103 LEU N N 94 119.114 119.114 121.610 -2.496 18219 3612 1 7 . 1 1 103 103 LEU HA H 94 4.110 4.110 4.115 -0.005 18219 3613 1 7 . 1 1 103 103 LEU C C 94 175.889 175.889 177.981 -2.092 18219 3614 1 7 . 1 1 103 103 LEU CA C 94 57.300 57.300 57.708 -0.408 18219 3615 1 7 . 1 1 103 103 LEU CB C 94 41.296 41.296 41.895 -0.599 18219 3616 1 7 . 1 1 103 103 LEU H H 94 7.622 7.622 7.685 -0.063 18219 3617 1 7 . 1 1 104 104 VAL N N 95 117.704 117.704 117.397 0.307 18219 3618 1 7 . 1 1 104 104 VAL HA H 95 3.530 3.530 3.760 -0.230 18219 3619 1 7 . 1 1 104 104 VAL C C 95 175.042 175.042 177.447 -2.405 18219 3620 1 7 . 1 1 104 104 VAL CA C 95 66.419 66.419 65.095 1.324 18219 3621 1 7 . 1 1 104 104 VAL CB C 95 31.357 31.357 32.125 -0.768 18219 3622 1 7 . 1 1 104 104 VAL H H 95 8.026 8.026 8.074 -0.048 18219 3623 1 7 . 1 1 105 105 LEU N N 96 117.185 117.185 116.139 1.046 18219 3624 1 7 . 1 1 105 105 LEU HA H 96 3.980 3.980 4.102 -0.122 18219 3625 1 7 . 1 1 105 105 LEU C C 96 176.579 176.579 178.141 -1.562 18219 3626 1 7 . 1 1 105 105 LEU CA C 96 56.800 56.800 56.594 0.206 18219 3627 1 7 . 1 1 105 105 LEU CB C 96 40.951 40.951 42.099 -1.149 18219 3628 1 7 . 1 1 105 105 LEU H H 96 7.893 7.893 7.663 0.230 18219 3629 1 7 . 1 1 106 106 LEU N N 97 118.471 118.471 118.115 0.356 18219 3630 1 7 . 1 1 106 106 LEU HA H 97 4.180 4.180 3.906 0.274 18219 3631 1 7 . 1 1 106 106 LEU C C 97 175.802 175.802 176.109 -0.307 18219 3632 1 7 . 1 1 106 106 LEU CA C 97 56.300 56.300 55.031 1.269 18219 3633 1 7 . 1 1 106 106 LEU CB C 97 41.592 41.592 40.701 0.891 18219 3634 1 7 . 1 1 106 106 LEU H H 97 7.545 7.545 7.846 -0.301 18219 3635 1 7 . 1 1 107 107 LEU N N 98 118.162 118.162 114.243 3.919 18219 3636 1 7 . 1 1 107 107 LEU HA H 98 4.230 4.230 3.892 0.338 18219 3637 1 7 . 1 1 107 107 LEU C C 98 174.174 174.174 177.705 -3.531 18219 3638 1 7 . 1 1 107 107 LEU CA C 98 56.283 56.283 55.424 0.859 18219 3639 1 7 . 1 1 107 107 LEU CB C 98 42.362 42.362 39.653 2.709 18219 3640 1 7 . 1 1 107 107 LEU H H 98 7.688 7.688 8.309 -0.621 18219 3641 1 8 . 1 1 11 11 ASP N N 2 120.536 120.536 121.164 -0.628 18219 3642 1 8 . 1 1 11 11 ASP CA C 2 55.918 55.918 54.537 1.381 18219 3643 1 8 . 1 1 11 11 ASP CB C 2 37.959 37.959 40.944 -2.985 18219 3644 1 8 . 1 1 11 11 ASP H H 2 7.863 7.863 8.308 -0.445 18219 3645 1 8 . 1 1 12 12 LEU N N 3 121.414 121.414 122.099 -0.685 18219 3646 1 8 . 1 1 12 12 LEU C C 3 176.162 176.162 178.649 -2.487 18219 3647 1 8 . 1 1 12 12 LEU CA C 3 57.600 57.600 55.187 2.413 18219 3648 1 8 . 1 1 12 12 LEU CB C 3 41.657 41.657 42.566 -0.909 18219 3649 1 8 . 1 1 12 12 LEU H H 3 8.285 8.285 8.072 0.213 18219 3650 1 8 . 1 1 13 13 ILE N N 4 118.854 118.854 119.880 -1.026 18219 3651 1 8 . 1 1 13 13 ILE HA H 4 3.740 3.740 3.845 -0.105 18219 3652 1 8 . 1 1 13 13 ILE C C 4 175.228 175.228 177.801 -2.573 18219 3653 1 8 . 1 1 13 13 ILE CA C 4 64.500 64.500 63.082 1.418 18219 3654 1 8 . 1 1 13 13 ILE CB C 4 37.102 37.102 38.303 -1.201 18219 3655 1 8 . 1 1 13 13 ILE H H 4 8.031 8.031 7.890 0.141 18219 3656 1 8 . 1 1 14 14 GLY N N 5 107.478 107.478 107.882 -0.404 18219 3657 1 8 . 1 1 14 14 GLY C C 5 174.424 174.424 175.953 -1.529 18219 3658 1 8 . 1 1 14 14 GLY CA C 5 47.059 47.059 46.333 0.726 18219 3659 1 8 . 1 1 14 14 GLY H H 5 8.148 8.148 7.979 0.169 18219 3660 1 8 . 1 1 15 15 PHE N N 6 122.774 122.774 123.794 -1.020 18219 3661 1 8 . 1 1 15 15 PHE HA H 6 4.480 4.480 4.273 0.207 18219 3662 1 8 . 1 1 15 15 PHE C C 6 175.113 175.113 177.013 -1.900 18219 3663 1 8 . 1 1 15 15 PHE CA C 6 60.017 60.017 61.712 -1.695 18219 3664 1 8 . 1 1 15 15 PHE CB C 6 38.774 38.774 38.488 0.286 18219 3665 1 8 . 1 1 15 15 PHE H H 6 8.194 8.194 8.225 -0.031 18219 3666 1 8 . 1 1 16 16 GLY N N 7 107.938 107.938 106.714 1.224 18219 3667 1 8 . 1 1 16 16 GLY C C 7 171.838 171.838 175.687 -3.849 18219 3668 1 8 . 1 1 16 16 GLY CA C 7 47.100 47.100 47.658 -0.558 18219 3669 1 8 . 1 1 16 16 GLY H H 7 8.697 8.697 8.701 -0.004 18219 3670 1 8 . 1 1 17 17 TYR N N 8 121.785 121.785 123.154 -1.369 18219 3671 1 8 . 1 1 17 17 TYR HA H 8 4.150 4.150 4.156 -0.006 18219 3672 1 8 . 1 1 17 17 TYR C C 8 174.180 174.180 177.701 -3.521 18219 3673 1 8 . 1 1 17 17 TYR CA C 8 61.300 61.300 61.194 0.106 18219 3674 1 8 . 1 1 17 17 TYR CB C 8 37.959 37.959 38.290 -0.331 18219 3675 1 8 . 1 1 17 17 TYR H H 8 8.710 8.710 8.430 0.280 18219 3676 1 8 . 1 1 18 18 ALA N N 9 120.233 120.233 121.002 -0.769 18219 3677 1 8 . 1 1 18 18 ALA HA H 9 3.950 3.950 3.934 0.016 18219 3678 1 8 . 1 1 18 18 ALA C C 9 178.059 178.059 178.762 -0.703 18219 3679 1 8 . 1 1 18 18 ALA CA C 9 54.872 54.872 54.335 0.537 18219 3680 1 8 . 1 1 18 18 ALA CB C 9 17.562 17.562 17.831 -0.269 18219 3681 1 8 . 1 1 18 18 ALA H H 9 7.843 7.843 8.168 -0.325 18219 3682 1 8 . 1 1 19 19 ALA N N 10 121.797 121.797 122.882 -1.085 18219 3683 1 8 . 1 1 19 19 ALA HA H 10 3.950 3.950 3.933 0.017 18219 3684 1 8 . 1 1 19 19 ALA C C 10 176.191 176.191 179.469 -3.278 18219 3685 1 8 . 1 1 19 19 ALA CA C 10 54.600 54.600 54.837 -0.237 18219 3686 1 8 . 1 1 19 19 ALA CB C 10 17.562 17.562 18.391 -0.829 18219 3687 1 8 . 1 1 19 19 ALA H H 10 8.212 8.212 8.282 -0.070 18219 3688 1 8 . 1 1 20 20 LEU N N 11 119.442 119.442 117.318 2.124 18219 3689 1 8 . 1 1 20 20 LEU HA H 11 3.937 3.937 4.024 -0.087 18219 3690 1 8 . 1 1 20 20 LEU C C 11 176.694 176.694 178.793 -2.099 18219 3691 1 8 . 1 1 20 20 LEU CA C 11 57.800 57.800 58.014 -0.214 18219 3692 1 8 . 1 1 20 20 LEU CB C 11 41.222 41.222 41.083 0.139 18219 3693 1 8 . 1 1 20 20 LEU H H 11 8.065 8.065 8.520 -0.455 18219 3694 1 8 . 1 1 21 21 VAL N N 12 118.323 118.323 120.320 -1.997 18219 3695 1 8 . 1 1 21 21 VAL HA H 12 3.640 3.640 3.526 0.114 18219 3696 1 8 . 1 1 21 21 VAL C C 12 176.536 176.536 178.520 -1.984 18219 3697 1 8 . 1 1 21 21 VAL CA C 12 65.400 65.400 66.936 -1.536 18219 3698 1 8 . 1 1 21 21 VAL CB C 12 31.135 31.135 30.704 0.431 18219 3699 1 8 . 1 1 21 21 VAL H H 12 8.051 8.051 8.241 -0.190 18219 3700 1 8 . 1 1 22 22 THR N N 13 118.298 118.298 116.491 1.807 18219 3701 1 8 . 1 1 22 22 THR HA H 13 4.660 4.660 4.041 0.619 18219 3702 1 8 . 1 1 22 22 THR C C 13 173.734 173.734 176.542 -2.808 18219 3703 1 8 . 1 1 22 22 THR CA C 13 66.300 66.300 66.806 -0.506 18219 3704 1 8 . 1 1 22 22 THR CB C 13 67.775 67.775 68.503 -0.728 18219 3705 1 8 . 1 1 22 22 THR H H 13 7.944 7.944 7.939 0.005 18219 3706 1 8 . 1 1 23 23 PHE N N 14 121.328 121.328 122.586 -1.258 18219 3707 1 8 . 1 1 23 23 PHE HA H 14 4.340 4.340 4.248 0.092 18219 3708 1 8 . 1 1 23 23 PHE C C 14 174.783 174.783 177.317 -2.534 18219 3709 1 8 . 1 1 23 23 PHE CA C 14 60.500 60.500 61.647 -1.147 18219 3710 1 8 . 1 1 23 23 PHE CB C 14 38.626 38.626 38.896 -0.270 18219 3711 1 8 . 1 1 23 23 PHE H H 14 8.567 8.567 8.380 0.187 18219 3712 1 8 . 1 1 24 24 GLY N N 15 106.871 106.871 105.158 1.713 18219 3713 1 8 . 1 1 24 24 GLY C C 15 172.858 172.858 176.876 -4.018 18219 3714 1 8 . 1 1 24 24 GLY CA C 15 46.900 46.900 47.043 -0.143 18219 3715 1 8 . 1 1 24 24 GLY H H 15 8.475 8.475 8.943 -0.468 18219 3716 1 8 . 1 1 25 25 SER N N 16 116.214 116.214 118.633 -2.419 18219 3717 1 8 . 1 1 25 25 SER HA H 16 4.280 4.280 4.294 -0.014 18219 3718 1 8 . 1 1 25 25 SER CA C 16 60.300 60.300 61.970 -1.670 18219 3719 1 8 . 1 1 25 25 SER CB C 16 62.879 62.879 63.116 -0.237 18219 3720 1 8 . 1 1 25 25 SER H H 16 7.963 7.963 7.961 0.002 18219 3721 1 8 . 1 1 26 26 ILE N N 17 121.024 121.024 121.795 -0.771 18219 3722 1 8 . 1 1 26 26 ILE HA H 17 3.946 3.946 3.825 0.121 18219 3723 1 8 . 1 1 26 26 ILE C C 17 173.935 173.935 178.094 -4.159 18219 3724 1 8 . 1 1 26 26 ILE CA C 17 63.100 63.100 65.086 -1.986 18219 3725 1 8 . 1 1 26 26 ILE CB C 17 38.107 38.107 38.227 -0.120 18219 3726 1 8 . 1 1 26 26 ILE H H 17 7.676 7.676 8.001 -0.325 18219 3727 1 8 . 1 1 27 27 PHE N N 18 117.142 117.142 119.270 -2.128 18219 3728 1 8 . 1 1 27 27 PHE HA H 18 4.430 4.430 4.043 0.387 18219 3729 1 8 . 1 1 27 27 PHE C C 18 173.504 173.504 177.027 -3.523 18219 3730 1 8 . 1 1 27 27 PHE CA C 18 58.500 58.500 60.823 -2.323 18219 3731 1 8 . 1 1 27 27 PHE CB C 18 38.774 38.774 38.893 -0.119 18219 3732 1 8 . 1 1 27 27 PHE H H 18 7.703 7.703 8.172 -0.469 18219 3733 1 8 . 1 1 28 28 GLY N N 19 107.303 107.303 106.510 0.793 18219 3734 1 8 . 1 1 28 28 GLY C C 19 171.593 171.593 174.830 -3.237 18219 3735 1 8 . 1 1 28 28 GLY CA C 19 45.600 45.600 46.032 -0.432 18219 3736 1 8 . 1 1 28 28 GLY H H 19 7.722 7.722 7.571 0.151 18219 3737 1 8 . 1 1 29 29 TYR N N 20 119.862 119.862 121.252 -1.390 18219 3738 1 8 . 1 1 29 29 TYR HA H 20 4.392 4.392 4.136 0.256 18219 3739 1 8 . 1 1 29 29 TYR C C 20 173.174 173.174 175.589 -2.415 18219 3740 1 8 . 1 1 29 29 TYR CA C 20 58.500 58.500 58.426 0.074 18219 3741 1 8 . 1 1 29 29 TYR CB C 20 38.404 38.404 38.118 0.286 18219 3742 1 8 . 1 1 29 29 TYR H H 20 7.880 7.880 7.509 0.371 18219 3743 1 8 . 1 1 30 30 LYS N N 21 122.335 122.335 123.621 -1.286 18219 3744 1 8 . 1 1 30 30 LYS HA H 21 4.390 4.390 4.021 0.369 18219 3745 1 8 . 1 1 30 30 LYS C C 21 173.547 173.547 176.753 -3.206 18219 3746 1 8 . 1 1 30 30 LYS CA C 21 55.800 55.800 57.522 -1.722 18219 3747 1 8 . 1 1 30 30 LYS CB C 21 32.396 32.396 32.531 -0.134 18219 3748 1 8 . 1 1 30 30 LYS H H 21 7.934 7.934 8.279 -0.345 18219 3749 1 8 . 1 1 31 31 ARG N N 22 120.612 120.612 125.897 -5.285 18219 3750 1 8 . 1 1 31 31 ARG C C 22 173.547 173.547 175.890 -2.343 18219 3751 1 8 . 1 1 31 31 ARG CA C 22 55.834 55.834 56.041 -0.207 18219 3752 1 8 . 1 1 31 31 ARG CB C 22 30.101 30.101 30.447 -0.346 18219 3753 1 8 . 1 1 31 31 ARG H H 22 7.905 7.905 8.644 -0.739 18219 3754 1 8 . 1 1 32 32 ARG N N 23 121.748 121.748 120.273 1.475 18219 3755 1 8 . 1 1 32 32 ARG HA H 23 4.310 4.310 4.296 0.014 18219 3756 1 8 . 1 1 32 32 ARG C C 23 173.863 173.863 176.381 -2.518 18219 3757 1 8 . 1 1 32 32 ARG CA C 23 55.800 55.800 56.657 -0.857 18219 3758 1 8 . 1 1 32 32 ARG CB C 23 30.245 30.245 30.425 -0.180 18219 3759 1 8 . 1 1 32 32 ARG H H 23 8.175 8.175 8.154 0.021 18219 3760 1 8 . 1 1 33 33 GLY N N 24 109.528 109.528 107.171 2.357 18219 3761 1 8 . 1 1 33 33 GLY C C 24 171.752 171.752 174.373 -2.621 18219 3762 1 8 . 1 1 33 33 GLY CA C 24 44.900 44.900 45.034 -0.134 18219 3763 1 8 . 1 1 33 33 GLY H H 24 8.264 8.264 8.106 0.158 18219 3764 1 8 . 1 1 34 34 GLY N N 25 108.563 108.563 106.771 1.792 18219 3765 1 8 . 1 1 34 34 GLY C C 25 171.701 171.701 174.116 -2.415 18219 3766 1 8 . 1 1 34 34 GLY CA C 25 44.600 44.600 44.788 -0.188 18219 3767 1 8 . 1 1 34 34 GLY H H 25 8.208 8.208 7.936 0.272 18219 3768 1 8 . 1 1 35 35 VAL N N 26 121.164 121.164 118.746 2.418 18219 3769 1 8 . 1 1 35 35 VAL HA H 26 4.010 4.010 4.009 0.001 18219 3770 1 8 . 1 1 35 35 VAL C C 26 175.888 175.888 175.660 0.228 18219 3771 1 8 . 1 1 35 35 VAL CA C 26 63.900 63.900 63.625 0.275 18219 3772 1 8 . 1 1 35 35 VAL CB C 26 30.690 30.690 31.234 -0.544 18219 3773 1 8 . 1 1 35 35 VAL H H 26 8.485 8.485 8.010 0.475 18219 3774 1 8 . 1 1 36 36 PRO C C 27 177.660 177.660 175.702 1.958 18219 3775 1 8 . 1 1 36 36 PRO CA C 27 61.847 61.847 62.807 -0.960 18219 3776 1 8 . 1 1 37 37 SER N N 28 116.023 116.023 112.395 3.628 18219 3777 1 8 . 1 1 37 37 SER HA H 28 4.280 4.280 4.482 -0.202 18219 3778 1 8 . 1 1 37 37 SER CA C 28 61.100 61.100 60.388 0.712 18219 3779 1 8 . 1 1 37 37 SER H H 28 7.948 7.948 8.195 -0.247 18219 3780 1 8 . 1 1 38 38 LEU N N 29 124.029 124.029 121.012 3.017 18219 3781 1 8 . 1 1 38 38 LEU HA H 29 4.170 4.170 4.132 0.038 18219 3782 1 8 . 1 1 38 38 LEU C C 29 176.132 176.132 178.602 -2.470 18219 3783 1 8 . 1 1 38 38 LEU CA C 29 57.500 57.500 57.913 -0.413 18219 3784 1 8 . 1 1 38 38 LEU CB C 29 42.038 42.038 40.877 1.161 18219 3785 1 8 . 1 1 38 38 LEU H H 29 8.201 8.201 7.928 0.273 18219 3786 1 8 . 1 1 39 39 ILE N N 30 117.098 117.098 119.543 -2.445 18219 3787 1 8 . 1 1 39 39 ILE HA H 30 4.370 4.370 3.823 0.547 18219 3788 1 8 . 1 1 39 39 ILE C C 30 176.478 176.478 177.428 -0.950 18219 3789 1 8 . 1 1 39 39 ILE CA C 30 63.079 63.079 62.825 0.254 18219 3790 1 8 . 1 1 39 39 ILE CB C 30 36.973 36.973 36.940 0.033 18219 3791 1 8 . 1 1 39 39 ILE H H 30 7.662 7.662 8.125 -0.463 18219 3792 1 8 . 1 1 40 40 ALA N N 31 122.447 122.447 122.018 0.429 18219 3793 1 8 . 1 1 40 40 ALA HA H 31 4.034 4.034 4.018 0.016 18219 3794 1 8 . 1 1 40 40 ALA C C 31 177.067 177.067 179.858 -2.791 18219 3795 1 8 . 1 1 40 40 ALA CA C 31 55.962 55.962 55.517 0.445 18219 3796 1 8 . 1 1 40 40 ALA CB C 31 17.856 17.856 17.793 0.063 18219 3797 1 8 . 1 1 40 40 ALA H H 31 8.096 8.096 7.308 0.788 18219 3798 1 8 . 1 1 41 41 GLY N N 32 104.056 104.056 107.521 -3.465 18219 3799 1 8 . 1 1 41 41 GLY C C 32 174.251 174.251 175.987 -1.736 18219 3800 1 8 . 1 1 41 41 GLY CA C 32 46.500 46.500 46.965 -0.465 18219 3801 1 8 . 1 1 41 41 GLY H H 32 8.123 8.123 8.130 -0.007 18219 3802 1 8 . 1 1 42 42 LEU N N 33 123.250 123.250 122.738 0.512 18219 3803 1 8 . 1 1 42 42 LEU HA H 33 3.857 3.857 4.000 -0.143 18219 3804 1 8 . 1 1 42 42 LEU C C 33 176.033 176.033 178.279 -2.246 18219 3805 1 8 . 1 1 42 42 LEU CA C 33 56.668 56.668 57.940 -1.272 18219 3806 1 8 . 1 1 42 42 LEU CB C 33 41.721 41.721 42.066 -0.345 18219 3807 1 8 . 1 1 42 42 LEU H H 33 7.914 7.914 8.136 -0.222 18219 3808 1 8 . 1 1 43 43 PHE N N 34 119.757 119.757 119.517 0.240 18219 3809 1 8 . 1 1 43 43 PHE HA H 34 4.200 4.200 4.076 0.124 18219 3810 1 8 . 1 1 43 43 PHE C C 34 174.374 174.374 177.390 -3.016 18219 3811 1 8 . 1 1 43 43 PHE CA C 34 59.876 59.876 62.436 -2.560 18219 3812 1 8 . 1 1 43 43 PHE CB C 34 38.834 38.834 39.148 -0.314 18219 3813 1 8 . 1 1 43 43 PHE H H 34 8.287 8.287 8.252 0.035 18219 3814 1 8 . 1 1 44 44 VAL N N 35 117.791 117.791 118.181 -0.390 18219 3815 1 8 . 1 1 44 44 VAL HA H 35 3.610 3.610 3.680 -0.070 18219 3816 1 8 . 1 1 44 44 VAL C C 35 176.205 176.205 178.641 -2.436 18219 3817 1 8 . 1 1 44 44 VAL CA C 35 64.559 64.559 67.162 -2.603 18219 3818 1 8 . 1 1 44 44 VAL CB C 35 31.432 31.432 30.946 0.486 18219 3819 1 8 . 1 1 44 44 VAL H H 35 8.235 8.235 8.505 -0.270 18219 3820 1 8 . 1 1 45 45 GLY N N 36 108.551 108.551 107.216 1.335 18219 3821 1 8 . 1 1 45 45 GLY C C 36 173.749 173.749 175.722 -1.973 18219 3822 1 8 . 1 1 45 45 GLY CA C 36 46.083 46.083 47.070 -0.987 18219 3823 1 8 . 1 1 45 45 GLY H H 36 8.178 8.178 8.314 -0.136 18219 3824 1 8 . 1 1 46 46 CYS N N 37 121.173 121.173 122.444 -1.271 18219 3825 1 8 . 1 1 46 46 CYS HA H 37 4.180 4.180 4.010 0.170 18219 3826 1 8 . 1 1 46 46 CYS C C 37 173.710 173.710 176.597 -2.887 18219 3827 1 8 . 1 1 46 46 CYS CA C 37 63.000 63.000 63.844 -0.844 18219 3828 1 8 . 1 1 46 46 CYS CB C 37 60.283 60.283 27.714 32.569 18219 3829 1 8 . 1 1 46 46 CYS H H 37 8.253 8.253 8.057 0.196 18219 3830 1 8 . 1 1 47 47 LEU N N 38 120.283 120.283 119.159 1.124 18219 3831 1 8 . 1 1 47 47 LEU HA H 38 4.060 4.060 4.037 0.023 18219 3832 1 8 . 1 1 47 47 LEU C C 38 176.679 176.679 178.458 -1.779 18219 3833 1 8 . 1 1 47 47 LEU CA C 38 56.027 56.027 58.084 -2.057 18219 3834 1 8 . 1 1 47 47 LEU CB C 38 41.464 41.464 40.568 0.896 18219 3835 1 8 . 1 1 47 47 LEU H H 38 7.965 7.965 8.353 -0.388 18219 3836 1 8 . 1 1 48 48 ALA N N 39 122.249 122.249 122.305 -0.056 18219 3837 1 8 . 1 1 48 48 ALA HA H 39 4.142 4.142 4.020 0.122 18219 3838 1 8 . 1 1 48 48 ALA C C 39 177.915 177.915 179.569 -1.654 18219 3839 1 8 . 1 1 48 48 ALA CA C 39 53.717 53.717 55.068 -1.351 18219 3840 1 8 . 1 1 48 48 ALA CB C 39 17.985 17.985 18.061 -0.076 18219 3841 1 8 . 1 1 48 48 ALA H H 39 8.066 8.066 8.094 -0.028 18219 3842 1 8 . 1 1 49 49 GLY N N 40 107.377 107.377 107.467 -0.090 18219 3843 1 8 . 1 1 49 49 GLY C C 40 172.527 172.527 175.533 -3.006 18219 3844 1 8 . 1 1 49 49 GLY CA C 40 45.450 45.450 46.574 -1.124 18219 3845 1 8 . 1 1 49 49 GLY H H 40 8.172 8.172 8.049 0.123 18219 3846 1 8 . 1 1 50 50 TYR N N 41 122.409 122.409 123.639 -1.230 18219 3847 1 8 . 1 1 50 50 TYR HA H 41 3.799 3.799 4.094 -0.295 18219 3848 1 8 . 1 1 50 50 TYR C C 41 174.208 174.208 177.115 -2.907 18219 3849 1 8 . 1 1 50 50 TYR CA C 41 59.245 59.245 61.081 -1.836 18219 3850 1 8 . 1 1 50 50 TYR CB C 41 37.936 37.936 38.458 -0.522 18219 3851 1 8 . 1 1 50 50 TYR H H 41 7.800 7.800 8.361 -0.561 18219 3852 1 8 . 1 1 51 51 GLY N N 42 106.935 106.935 104.088 2.847 18219 3853 1 8 . 1 1 51 51 GLY C C 42 172.642 172.642 175.506 -2.864 18219 3854 1 8 . 1 1 51 51 GLY CA C 42 46.265 46.265 45.344 0.921 18219 3855 1 8 . 1 1 51 51 GLY H H 42 8.199 8.199 8.207 -0.008 18219 3856 1 8 . 1 1 52 52 ALA N N 43 123.018 123.018 126.163 -3.145 18219 3857 1 8 . 1 1 52 52 ALA HA H 43 4.150 4.150 4.059 0.091 18219 3858 1 8 . 1 1 52 52 ALA C C 43 176.398 176.398 179.469 -3.071 18219 3859 1 8 . 1 1 52 52 ALA CA C 43 52.883 52.883 54.141 -1.258 18219 3860 1 8 . 1 1 52 52 ALA CB C 43 18.241 18.241 18.186 0.055 18219 3861 1 8 . 1 1 52 52 ALA H H 43 7.758 7.758 8.161 -0.403 18219 3862 1 8 . 1 1 53 53 TYR N N 44 119.664 119.664 120.051 -0.387 18219 3863 1 8 . 1 1 53 53 TYR HA H 44 4.318 4.318 4.209 0.109 18219 3864 1 8 . 1 1 53 53 TYR C C 44 174.180 174.180 176.756 -2.576 18219 3865 1 8 . 1 1 53 53 TYR CA C 44 58.593 58.593 60.190 -1.597 18219 3866 1 8 . 1 1 53 53 TYR CB C 44 38.192 38.192 38.367 -0.175 18219 3867 1 8 . 1 1 53 53 TYR H H 44 7.920 7.920 8.224 -0.304 18219 3868 1 8 . 1 1 54 54 ARG N N 45 119.516 119.516 117.465 2.051 18219 3869 1 8 . 1 1 54 54 ARG HA H 45 3.930 3.930 4.211 -0.281 18219 3870 1 8 . 1 1 54 54 ARG C C 45 174.423 174.423 175.815 -1.392 18219 3871 1 8 . 1 1 54 54 ARG CA C 45 56.027 56.027 55.913 0.114 18219 3872 1 8 . 1 1 54 54 ARG CB C 45 30.173 30.173 30.810 -0.637 18219 3873 1 8 . 1 1 54 54 ARG H H 45 7.956 7.956 7.596 0.360 18219 3874 1 8 . 1 1 55 55 VAL N N 46 116.437 116.437 119.213 -2.776 18219 3875 1 8 . 1 1 55 55 VAL HA H 46 4.060 4.060 3.831 0.229 18219 3876 1 8 . 1 1 55 55 VAL C C 46 173.806 173.806 175.703 -1.897 18219 3877 1 8 . 1 1 55 55 VAL CA C 46 62.300 62.300 63.116 -0.816 18219 3878 1 8 . 1 1 55 55 VAL CB C 46 31.521 31.521 31.591 -0.070 18219 3879 1 8 . 1 1 55 55 VAL H H 46 7.489 7.489 7.355 0.134 18219 3880 1 8 . 1 1 56 56 SER N N 47 117.185 117.185 115.423 1.762 18219 3881 1 8 . 1 1 56 56 SER HA H 47 4.401 4.401 4.114 0.287 18219 3882 1 8 . 1 1 56 56 SER C C 47 172.074 172.074 175.571 -3.497 18219 3883 1 8 . 1 1 56 56 SER CA C 47 58.133 58.133 60.489 -2.356 18219 3884 1 8 . 1 1 56 56 SER CB C 47 63.468 63.468 63.757 -0.289 18219 3885 1 8 . 1 1 56 56 SER H H 47 7.728 7.728 7.601 0.127 18219 3886 1 8 . 1 1 57 57 ASN N N 48 121.049 121.049 120.121 0.928 18219 3887 1 8 . 1 1 57 57 ASN HA H 48 4.590 4.590 4.428 0.162 18219 3888 1 8 . 1 1 57 57 ASN CA C 48 53.600 53.600 55.659 -2.059 18219 3889 1 8 . 1 1 57 57 ASN CB C 48 38.641 38.641 37.769 0.872 18219 3890 1 8 . 1 1 57 57 ASN H H 48 8.228 8.228 8.725 -0.497 18219 3891 1 8 . 1 1 58 58 ASP N N 49 120.276 120.276 119.332 0.944 18219 3892 1 8 . 1 1 58 58 ASP HA H 49 4.530 4.530 4.591 -0.061 18219 3893 1 8 . 1 1 58 58 ASP CA C 49 54.202 54.202 54.332 -0.130 18219 3894 1 8 . 1 1 58 58 ASP CB C 49 40.374 40.374 41.895 -1.521 18219 3895 1 8 . 1 1 58 58 ASP H H 49 8.192 8.192 8.536 -0.344 18219 3896 1 8 . 1 1 59 59 LYS N N 50 120.660 120.660 118.761 1.899 18219 3897 1 8 . 1 1 59 59 LYS HA H 50 4.200 4.200 3.964 0.236 18219 3898 1 8 . 1 1 59 59 LYS C C 50 173.474 173.474 175.182 -1.708 18219 3899 1 8 . 1 1 59 59 LYS CA C 50 56.300 56.300 57.519 -1.218 18219 3900 1 8 . 1 1 59 59 LYS CB C 50 32.034 32.034 32.879 -0.845 18219 3901 1 8 . 1 1 59 59 LYS H H 50 8.003 8.003 8.045 -0.042 18219 3902 1 8 . 1 1 60 60 ARG N N 51 121.278 121.278 119.964 1.314 18219 3903 1 8 . 1 1 60 60 ARG HA H 51 4.200 4.200 4.205 -0.005 18219 3904 1 8 . 1 1 60 60 ARG C C 51 173.303 173.303 174.797 -1.494 18219 3905 1 8 . 1 1 60 60 ARG CA C 51 56.283 56.283 56.862 -0.579 18219 3906 1 8 . 1 1 60 60 ARG CB C 51 30.238 30.238 30.784 -0.545 18219 3907 1 8 . 1 1 60 60 ARG H H 51 8.091 8.091 8.267 -0.176 18219 3908 1 8 . 1 1 61 61 ASP N N 52 121.185 121.185 119.546 1.639 18219 3909 1 8 . 1 1 61 61 ASP HA H 52 4.615 4.615 4.647 -0.032 18219 3910 1 8 . 1 1 61 61 ASP C C 52 173.777 173.777 177.414 -3.637 18219 3911 1 8 . 1 1 61 61 ASP CA C 52 53.979 53.979 55.268 -1.289 18219 3912 1 8 . 1 1 61 61 ASP CB C 52 40.245 40.245 41.609 -1.364 18219 3913 1 8 . 1 1 61 61 ASP H H 52 8.261 8.261 8.313 -0.052 18219 3914 1 8 . 1 1 62 62 VAL N N 53 121.902 121.902 119.594 2.308 18219 3915 1 8 . 1 1 62 62 VAL HA H 53 3.950 3.950 4.198 -0.248 18219 3916 1 8 . 1 1 62 62 VAL C C 53 173.279 173.279 177.040 -3.761 18219 3917 1 8 . 1 1 62 62 VAL CA C 53 63.176 63.176 64.093 -0.917 18219 3918 1 8 . 1 1 62 62 VAL CB C 53 32.099 32.099 32.218 -0.119 18219 3919 1 8 . 1 1 62 62 VAL H H 53 7.997 7.997 8.073 -0.076 18219 3920 1 8 . 1 1 63 63 LYS N N 54 123.522 123.522 121.301 2.221 18219 3921 1 8 . 1 1 63 63 LYS HA H 54 4.260 4.260 4.086 0.174 18219 3922 1 8 . 1 1 63 63 LYS C C 54 174.481 174.481 178.647 -4.166 18219 3923 1 8 . 1 1 63 63 LYS CA C 54 56.347 56.347 59.581 -3.234 18219 3924 1 8 . 1 1 63 63 LYS CB C 54 32.099 32.099 32.149 -0.050 18219 3925 1 8 . 1 1 63 63 LYS H H 54 8.054 8.054 8.299 -0.245 18219 3926 1 8 . 1 1 64 64 VAL N N 55 120.647 120.647 117.862 2.785 18219 3927 1 8 . 1 1 64 64 VAL HA H 55 3.947 3.947 3.873 0.074 18219 3928 1 8 . 1 1 64 64 VAL C C 55 174.955 174.955 177.734 -2.779 18219 3929 1 8 . 1 1 64 64 VAL CA C 55 64.600 64.600 65.464 -0.864 18219 3930 1 8 . 1 1 64 64 VAL CB C 55 31.877 31.877 30.953 0.924 18219 3931 1 8 . 1 1 64 64 VAL H H 55 8.225 8.225 8.033 0.192 18219 3932 1 8 . 1 1 65 65 SER N N 56 117.785 117.785 116.485 1.300 18219 3933 1 8 . 1 1 65 65 SER HA H 56 4.390 4.390 4.187 0.203 18219 3934 1 8 . 1 1 65 65 SER C C 56 172.300 172.300 176.726 -4.426 18219 3935 1 8 . 1 1 65 65 SER CA C 56 60.000 60.000 62.252 -2.252 18219 3936 1 8 . 1 1 65 65 SER CB C 56 62.879 62.879 63.011 -0.132 18219 3937 1 8 . 1 1 65 65 SER H H 56 8.260 8.260 7.936 0.324 18219 3938 1 8 . 1 1 66 66 LEU N N 57 123.318 123.318 122.096 1.222 18219 3939 1 8 . 1 1 66 66 LEU HA H 57 4.090 4.090 4.190 -0.100 18219 3940 1 8 . 1 1 66 66 LEU C C 57 175.932 175.932 178.856 -2.924 18219 3941 1 8 . 1 1 66 66 LEU CA C 57 57.502 57.502 58.062 -0.560 18219 3942 1 8 . 1 1 66 66 LEU CB C 57 41.721 41.721 41.114 0.607 18219 3943 1 8 . 1 1 66 66 LEU H H 57 8.091 8.091 8.348 -0.257 18219 3944 1 8 . 1 1 67 67 PHE N N 58 118.020 118.020 119.032 -1.012 18219 3945 1 8 . 1 1 67 67 PHE HA H 58 4.330 4.330 3.972 0.358 18219 3946 1 8 . 1 1 67 67 PHE C C 58 174.912 174.912 177.864 -2.952 18219 3947 1 8 . 1 1 67 67 PHE CA C 58 60.600 60.600 61.881 -1.281 18219 3948 1 8 . 1 1 67 67 PHE CB C 58 38.552 38.552 38.837 -0.285 18219 3949 1 8 . 1 1 67 67 PHE H H 58 8.066 8.066 8.566 -0.500 18219 3950 1 8 . 1 1 68 68 THR N N 59 115.324 115.324 115.878 -0.554 18219 3951 1 8 . 1 1 68 68 THR HA H 59 4.310 4.310 3.936 0.374 18219 3952 1 8 . 1 1 68 68 THR C C 59 173.380 173.380 176.301 -2.921 18219 3953 1 8 . 1 1 68 68 THR CA C 59 66.313 66.313 67.561 -1.248 18219 3954 1 8 . 1 1 68 68 THR CB C 59 67.700 67.700 68.922 -1.222 18219 3955 1 8 . 1 1 68 68 THR H H 59 8.287 8.287 8.439 -0.152 18219 3956 1 8 . 1 1 69 69 ALA N N 60 123.621 123.621 124.571 -0.950 18219 3957 1 8 . 1 1 69 69 ALA HA H 60 4.280 4.280 4.072 0.208 18219 3958 1 8 . 1 1 69 69 ALA C C 60 176.978 176.978 179.837 -2.859 18219 3959 1 8 . 1 1 69 69 ALA CA C 60 55.100 55.100 55.111 -0.011 18219 3960 1 8 . 1 1 69 69 ALA CB C 60 17.728 17.728 18.261 -0.533 18219 3961 1 8 . 1 1 69 69 ALA H H 60 7.983 7.983 8.215 -0.232 18219 3962 1 8 . 1 1 70 70 PHE N N 61 118.520 118.520 117.492 1.028 18219 3963 1 8 . 1 1 70 70 PHE HA H 61 4.260 4.260 4.186 0.074 18219 3964 1 8 . 1 1 70 70 PHE C C 61 175.369 175.369 177.440 -2.071 18219 3965 1 8 . 1 1 70 70 PHE CA C 61 60.179 60.179 61.857 -1.678 18219 3966 1 8 . 1 1 70 70 PHE CB C 61 38.706 38.706 39.241 -0.535 18219 3967 1 8 . 1 1 70 70 PHE H H 61 8.007 8.007 8.867 -0.860 18219 3968 1 8 . 1 1 71 71 PHE N N 62 122.314 122.314 120.671 1.643 18219 3969 1 8 . 1 1 71 71 PHE HA H 62 4.000 4.000 4.152 -0.152 18219 3970 1 8 . 1 1 71 71 PHE C C 62 174.697 174.697 177.346 -2.649 18219 3971 1 8 . 1 1 71 71 PHE CA C 62 60.517 60.517 61.758 -1.240 18219 3972 1 8 . 1 1 71 71 PHE CB C 62 38.770 38.770 38.951 -0.181 18219 3973 1 8 . 1 1 71 71 PHE H H 62 8.546 8.546 7.612 0.934 18219 3974 1 8 . 1 1 72 72 LEU N N 63 119.399 119.399 119.349 0.050 18219 3975 1 8 . 1 1 72 72 LEU HA H 63 3.870 3.870 3.888 -0.018 18219 3976 1 8 . 1 1 72 72 LEU C C 63 175.774 175.774 179.244 -3.470 18219 3977 1 8 . 1 1 72 72 LEU CA C 63 56.925 56.925 57.858 -0.933 18219 3978 1 8 . 1 1 72 72 LEU CB C 63 41.207 41.207 40.608 0.599 18219 3979 1 8 . 1 1 72 72 LEU H H 63 8.396 8.396 8.787 -0.391 18219 3980 1 8 . 1 1 73 73 ALA N N 64 120.221 120.221 121.530 -1.309 18219 3981 1 8 . 1 1 73 73 ALA HA H 64 3.960 3.960 3.862 0.098 18219 3982 1 8 . 1 1 73 73 ALA C C 64 177.267 177.267 179.461 -2.194 18219 3983 1 8 . 1 1 73 73 ALA CA C 64 54.600 54.600 55.565 -0.965 18219 3984 1 8 . 1 1 73 73 ALA CB C 64 17.784 17.784 17.941 -0.157 18219 3985 1 8 . 1 1 73 73 ALA H H 64 8.025 8.025 8.161 -0.136 18219 3986 1 8 . 1 1 74 74 THR N N 65 113.648 113.648 115.688 -2.040 18219 3987 1 8 . 1 1 74 74 THR HA H 65 3.980 3.980 3.824 0.156 18219 3988 1 8 . 1 1 74 74 THR CA C 65 66.291 66.291 66.180 0.111 18219 3989 1 8 . 1 1 74 74 THR CB C 65 67.914 67.914 68.593 -0.679 18219 3990 1 8 . 1 1 74 74 THR H H 65 7.717 7.717 7.626 0.091 18219 3991 1 8 . 1 1 75 75 ILE N N 66 120.291 120.291 120.697 -0.406 18219 3992 1 8 . 1 1 75 75 ILE HA H 66 3.740 3.740 3.452 0.288 18219 3993 1 8 . 1 1 75 75 ILE C C 66 174.951 174.951 178.430 -3.479 18219 3994 1 8 . 1 1 75 75 ILE CA C 66 64.880 64.880 64.649 0.231 18219 3995 1 8 . 1 1 75 75 ILE CB C 66 37.166 37.166 37.770 -0.604 18219 3996 1 8 . 1 1 75 75 ILE H H 66 7.738 7.738 8.146 -0.408 18219 3997 1 8 . 1 1 76 76 MET N N 67 117.618 117.618 117.327 0.291 18219 3998 1 8 . 1 1 76 76 MET HA H 67 4.220 4.220 3.961 0.259 18219 3999 1 8 . 1 1 76 76 MET C C 67 175.142 175.142 177.750 -2.608 18219 4000 1 8 . 1 1 76 76 MET CA C 67 56.723 56.723 57.854 -1.131 18219 4001 1 8 . 1 1 76 76 MET CB C 67 31.951 31.951 32.959 -1.008 18219 4002 1 8 . 1 1 76 76 MET H H 67 7.823 7.823 8.099 -0.276 18219 4003 1 8 . 1 1 77 77 GLY N N 68 107.110 107.110 105.759 1.351 18219 4004 1 8 . 1 1 77 77 GLY C C 68 172.260 172.260 175.378 -3.118 18219 4005 1 8 . 1 1 77 77 GLY CA C 68 45.800 45.800 45.709 0.091 18219 4006 1 8 . 1 1 77 77 GLY H H 68 7.937 7.937 8.172 -0.235 18219 4007 1 8 . 1 1 78 78 VAL N N 69 120.431 120.431 117.249 3.182 18219 4008 1 8 . 1 1 78 78 VAL HA H 69 4.220 4.220 3.631 0.589 18219 4009 1 8 . 1 1 78 78 VAL CA C 69 63.900 63.900 64.939 -1.039 18219 4010 1 8 . 1 1 78 78 VAL CB C 69 31.506 31.506 32.028 -0.522 18219 4011 1 8 . 1 1 78 78 VAL H H 69 7.697 7.697 8.343 -0.646 18219 4012 1 8 . 1 1 79 79 ARG N N 70 121.420 121.420 115.801 5.619 18219 4013 1 8 . 1 1 79 79 ARG HA H 70 3.810 3.810 4.411 -0.601 18219 4014 1 8 . 1 1 79 79 ARG CA C 70 56.400 56.400 55.054 1.346 18219 4015 1 8 . 1 1 79 79 ARG CB C 70 30.097 30.097 32.684 -2.587 18219 4016 1 8 . 1 1 79 79 ARG H H 70 7.889 7.889 7.581 0.308 18219 4017 1 8 . 1 1 80 80 PHE N N 71 119.949 119.949 122.393 -2.444 18219 4018 1 8 . 1 1 80 80 PHE HA H 71 4.510 4.510 4.587 -0.077 18219 4019 1 8 . 1 1 80 80 PHE CA C 71 58.600 58.600 58.545 0.055 18219 4020 1 8 . 1 1 80 80 PHE CB C 71 39.145 39.145 39.006 0.139 18219 4021 1 8 . 1 1 80 80 PHE H H 71 8.101 8.101 8.672 -0.571 18219 4022 1 8 . 1 1 81 81 LYS N N 72 122.193 122.193 126.511 -4.318 18219 4023 1 8 . 1 1 81 81 LYS CA C 72 56.800 56.800 54.893 1.907 18219 4024 1 8 . 1 1 81 81 LYS CB C 72 32.322 32.322 35.274 -2.952 18219 4025 1 8 . 1 1 81 81 LYS H H 72 8.090 8.090 8.070 0.020 18219 4026 1 8 . 1 1 82 82 ARG N N 73 119.650 119.650 121.219 -1.569 18219 4027 1 8 . 1 1 82 82 ARG CA C 73 56.089 56.089 58.298 -2.209 18219 4028 1 8 . 1 1 82 82 ARG CB C 73 30.171 30.171 30.512 -0.341 18219 4029 1 8 . 1 1 82 82 ARG H H 73 8.052 8.052 8.489 -0.437 18219 4030 1 8 . 1 1 83 83 SER N N 74 115.734 115.734 110.294 5.440 18219 4031 1 8 . 1 1 83 83 SER CA C 74 58.355 58.355 57.729 0.626 18219 4032 1 8 . 1 1 83 83 SER CB C 74 63.404 63.404 64.623 -1.219 18219 4033 1 8 . 1 1 83 83 SER H H 74 7.912 7.912 7.764 0.148 18219 4034 1 8 . 1 1 84 84 LYS N N 75 122.370 122.370 127.347 -4.977 18219 4035 1 8 . 1 1 84 84 LYS CA C 75 56.135 56.135 56.053 0.082 18219 4036 1 8 . 1 1 84 84 LYS CB C 75 32.175 32.175 31.232 0.943 18219 4037 1 8 . 1 1 84 84 LYS H H 75 8.067 8.067 8.565 -0.498 18219 4038 1 8 . 1 1 86 86 ILE N N 77 119.592 119.592 118.784 0.808 18219 4039 1 8 . 1 1 86 86 ILE HA H 77 3.810 3.810 4.124 -0.314 18219 4040 1 8 . 1 1 86 86 ILE CA C 77 64.900 64.900 61.480 3.421 18219 4041 1 8 . 1 1 86 86 ILE CB C 77 39.145 39.145 40.014 -0.869 18219 4042 1 8 . 1 1 86 86 ILE H H 77 7.837 7.837 7.346 0.491 18219 4043 1 8 . 1 1 87 87 MET N N 78 121.645 121.645 119.773 1.872 18219 4044 1 8 . 1 1 87 87 MET CA C 78 52.982 52.982 59.736 -6.754 18219 4045 1 8 . 1 1 87 87 MET CB C 78 32.173 32.173 30.468 1.706 18219 4046 1 8 . 1 1 87 87 MET H H 78 7.950 7.950 8.341 -0.391 18219 4047 1 8 . 1 1 88 88 PRO HA H 79 4.140 4.140 4.539 -0.399 18219 4048 1 8 . 1 1 88 88 PRO C C 79 173.921 173.921 176.110 -2.189 18219 4049 1 8 . 1 1 88 88 PRO CA C 79 62.800 62.800 62.441 0.359 18219 4050 1 8 . 1 1 88 88 PRO CB C 79 31.136 31.136 29.386 1.750 18219 4051 1 8 . 1 1 89 89 ALA N N 80 124.431 124.431 124.725 -0.294 18219 4052 1 8 . 1 1 89 89 ALA HA H 80 4.400 4.400 3.989 0.411 18219 4053 1 8 . 1 1 89 89 ALA C C 80 176.234 176.234 179.092 -2.858 18219 4054 1 8 . 1 1 89 89 ALA CA C 80 53.300 53.300 55.746 -2.446 18219 4055 1 8 . 1 1 89 89 ALA CB C 80 18.498 18.498 18.581 -0.083 18219 4056 1 8 . 1 1 89 89 ALA H H 80 8.320 8.320 8.414 -0.094 18219 4057 1 8 . 1 1 90 90 GLY N N 81 106.834 106.834 105.891 0.943 18219 4058 1 8 . 1 1 90 90 GLY C C 81 172.398 172.398 175.605 -3.207 18219 4059 1 8 . 1 1 90 90 GLY CA C 81 45.600 45.600 46.856 -1.256 18219 4060 1 8 . 1 1 90 90 GLY H H 81 8.458 8.458 8.665 -0.207 18219 4061 1 8 . 1 1 91 91 LEU N N 82 121.043 121.043 122.117 -1.074 18219 4062 1 8 . 1 1 91 91 LEU HA H 82 4.200 4.200 4.005 0.195 18219 4063 1 8 . 1 1 91 91 LEU C C 82 174.783 174.783 178.830 -4.047 18219 4064 1 8 . 1 1 91 91 LEU CA C 82 56.300 56.300 57.720 -1.420 18219 4065 1 8 . 1 1 91 91 LEU CB C 82 42.106 42.106 42.147 -0.041 18219 4066 1 8 . 1 1 91 91 LEU H H 82 7.687 7.687 7.556 0.131 18219 4067 1 8 . 1 1 92 92 VAL N N 83 114.737 114.737 119.186 -4.449 18219 4068 1 8 . 1 1 92 92 VAL HA H 83 3.980 3.980 3.474 0.506 18219 4069 1 8 . 1 1 92 92 VAL C C 83 173.634 173.634 177.681 -4.047 18219 4070 1 8 . 1 1 92 92 VAL CA C 83 62.400 62.400 67.214 -4.814 18219 4071 1 8 . 1 1 92 92 VAL CB C 83 31.585 31.585 31.392 0.193 18219 4072 1 8 . 1 1 92 92 VAL H H 83 7.602 7.602 7.935 -0.333 18219 4073 1 8 . 1 1 93 93 ALA N N 84 124.320 124.320 120.683 3.637 18219 4074 1 8 . 1 1 93 93 ALA HA H 84 4.150 4.150 3.951 0.199 18219 4075 1 8 . 1 1 93 93 ALA C C 84 175.746 175.746 179.897 -4.151 18219 4076 1 8 . 1 1 93 93 ALA CA C 84 53.300 53.300 55.353 -2.053 18219 4077 1 8 . 1 1 93 93 ALA CB C 84 18.241 18.241 17.936 0.305 18219 4078 1 8 . 1 1 93 93 ALA H H 84 7.891 7.891 8.117 -0.226 18219 4079 1 8 . 1 1 94 94 GLY N N 85 106.807 106.807 106.733 0.074 18219 4080 1 8 . 1 1 94 94 GLY C C 85 171.752 171.752 175.874 -4.122 18219 4081 1 8 . 1 1 94 94 GLY CA C 85 45.249 45.249 46.496 -1.247 18219 4082 1 8 . 1 1 94 94 GLY H H 85 8.204 8.204 8.262 -0.058 18219 4083 1 8 . 1 1 95 95 LEU N N 86 121.266 121.266 122.409 -1.143 18219 4084 1 8 . 1 1 95 95 LEU HA H 86 4.380 4.380 4.152 0.228 18219 4085 1 8 . 1 1 95 95 LEU C C 86 173.702 173.702 178.812 -5.110 18219 4086 1 8 . 1 1 95 95 LEU CA C 86 55.000 55.000 57.444 -2.444 18219 4087 1 8 . 1 1 95 95 LEU CB C 86 42.298 42.298 41.431 0.867 18219 4088 1 8 . 1 1 95 95 LEU H H 86 7.718 7.718 8.040 -0.322 18219 4089 1 8 . 1 1 96 96 SER N N 87 115.658 115.658 115.095 0.563 18219 4090 1 8 . 1 1 96 96 SER HA H 87 4.370 4.370 4.217 0.153 18219 4091 1 8 . 1 1 96 96 SER C C 87 172.479 172.479 176.504 -4.025 18219 4092 1 8 . 1 1 96 96 SER CA C 87 57.200 57.200 62.118 -4.918 18219 4093 1 8 . 1 1 96 96 SER CB C 87 64.174 64.174 63.216 0.958 18219 4094 1 8 . 1 1 96 96 SER H H 87 7.659 7.659 8.420 -0.761 18219 4095 1 8 . 1 1 97 97 LEU N N 88 123.720 123.720 122.218 1.502 18219 4096 1 8 . 1 1 97 97 LEU HA H 88 4.600 4.600 3.921 0.679 18219 4097 1 8 . 1 1 97 97 LEU C C 88 175.932 175.932 178.620 -2.688 18219 4098 1 8 . 1 1 97 97 LEU CA C 88 57.600 57.600 58.413 -0.813 18219 4099 1 8 . 1 1 97 97 LEU CB C 88 41.400 41.400 42.024 -0.624 18219 4100 1 8 . 1 1 97 97 LEU H H 88 8.733 8.733 8.107 0.626 18219 4101 1 8 . 1 1 98 98 MET N N 89 116.684 116.684 118.944 -2.260 18219 4102 1 8 . 1 1 98 98 MET HA H 89 4.280 4.280 4.123 0.157 18219 4103 1 8 . 1 1 98 98 MET C C 89 175.789 175.789 178.031 -2.242 18219 4104 1 8 . 1 1 98 98 MET CA C 89 56.915 56.915 58.798 -1.883 18219 4105 1 8 . 1 1 98 98 MET CB C 89 31.007 31.007 32.744 -1.737 18219 4106 1 8 . 1 1 98 98 MET H H 89 8.342 8.342 8.346 -0.004 18219 4107 1 8 . 1 1 99 99 MET N N 90 119.182 119.182 119.431 -0.249 18219 4108 1 8 . 1 1 99 99 MET HA H 90 4.110 4.110 4.131 -0.021 18219 4109 1 8 . 1 1 99 99 MET C C 90 175.588 175.588 178.655 -3.067 18219 4110 1 8 . 1 1 99 99 MET CA C 90 57.951 57.951 58.861 -0.910 18219 4111 1 8 . 1 1 99 99 MET CB C 90 32.226 32.226 32.301 -0.075 18219 4112 1 8 . 1 1 99 99 MET H H 90 7.720 7.720 8.195 -0.475 18219 4113 1 8 . 1 1 100 100 ILE N N 91 119.077 119.077 120.099 -1.022 18219 4114 1 8 . 1 1 100 100 ILE HA H 91 4.110 4.110 3.920 0.190 18219 4115 1 8 . 1 1 100 100 ILE C C 91 174.634 174.634 177.087 -2.453 18219 4116 1 8 . 1 1 100 100 ILE CA C 91 64.100 64.100 64.056 0.044 18219 4117 1 8 . 1 1 100 100 ILE CB C 91 37.143 37.143 38.399 -1.256 18219 4118 1 8 . 1 1 100 100 ILE H H 91 7.662 7.662 8.258 -0.596 18219 4119 1 8 . 1 1 101 101 LEU N N 92 119.646 119.646 120.324 -0.678 18219 4120 1 8 . 1 1 101 101 LEU HA H 92 4.530 4.530 4.021 0.509 18219 4121 1 8 . 1 1 101 101 LEU C C 92 175.430 175.430 178.478 -3.048 18219 4122 1 8 . 1 1 101 101 LEU CA C 92 57.800 57.800 57.618 0.182 18219 4123 1 8 . 1 1 101 101 LEU CB C 92 40.758 40.758 41.673 -0.915 18219 4124 1 8 . 1 1 101 101 LEU H H 92 8.142 8.142 7.820 0.322 18219 4125 1 8 . 1 1 102 102 ARG N N 93 116.394 116.394 118.662 -2.268 18219 4126 1 8 . 1 1 102 102 ARG HA H 93 4.140 4.140 4.301 -0.161 18219 4127 1 8 . 1 1 102 102 ARG C C 93 175.961 175.961 178.396 -2.435 18219 4128 1 8 . 1 1 102 102 ARG CA C 93 59.100 59.100 58.745 0.355 18219 4129 1 8 . 1 1 102 102 ARG CB C 93 29.404 29.404 30.940 -1.536 18219 4130 1 8 . 1 1 102 102 ARG H H 93 7.893 7.893 8.140 -0.247 18219 4131 1 8 . 1 1 103 103 LEU N N 94 119.114 119.114 121.122 -2.008 18219 4132 1 8 . 1 1 103 103 LEU HA H 94 4.110 4.110 4.173 -0.063 18219 4133 1 8 . 1 1 103 103 LEU C C 94 175.889 175.889 178.009 -2.120 18219 4134 1 8 . 1 1 103 103 LEU CA C 94 57.300 57.300 57.484 -0.184 18219 4135 1 8 . 1 1 103 103 LEU CB C 94 41.296 41.296 41.934 -0.638 18219 4136 1 8 . 1 1 103 103 LEU H H 94 7.622 7.622 8.001 -0.379 18219 4137 1 8 . 1 1 104 104 VAL N N 95 117.704 117.704 118.114 -0.410 18219 4138 1 8 . 1 1 104 104 VAL HA H 95 3.530 3.530 3.794 -0.264 18219 4139 1 8 . 1 1 104 104 VAL C C 95 175.042 175.042 177.411 -2.369 18219 4140 1 8 . 1 1 104 104 VAL CA C 95 66.419 66.419 64.731 1.688 18219 4141 1 8 . 1 1 104 104 VAL CB C 95 31.357 31.357 31.912 -0.555 18219 4142 1 8 . 1 1 104 104 VAL H H 95 8.026 8.026 8.109 -0.083 18219 4143 1 8 . 1 1 105 105 LEU N N 96 117.185 117.185 116.561 0.624 18219 4144 1 8 . 1 1 105 105 LEU HA H 96 3.980 3.980 4.131 -0.151 18219 4145 1 8 . 1 1 105 105 LEU C C 96 176.579 176.579 177.733 -1.154 18219 4146 1 8 . 1 1 105 105 LEU CA C 96 56.800 56.800 56.576 0.224 18219 4147 1 8 . 1 1 105 105 LEU CB C 96 40.951 40.951 42.186 -1.235 18219 4148 1 8 . 1 1 105 105 LEU H H 96 7.893 7.893 7.593 0.300 18219 4149 1 8 . 1 1 106 106 LEU N N 97 118.471 118.471 114.477 3.994 18219 4150 1 8 . 1 1 106 106 LEU HA H 97 4.180 4.180 3.915 0.265 18219 4151 1 8 . 1 1 106 106 LEU C C 97 175.802 175.802 176.400 -0.598 18219 4152 1 8 . 1 1 106 106 LEU CA C 97 56.300 56.300 55.487 0.813 18219 4153 1 8 . 1 1 106 106 LEU CB C 97 41.592 41.592 40.140 1.452 18219 4154 1 8 . 1 1 106 106 LEU H H 97 7.545 7.545 7.413 0.132 18219 4155 1 8 . 1 1 107 107 LEU N N 98 118.162 118.162 111.984 6.178 18219 4156 1 8 . 1 1 107 107 LEU HA H 98 4.230 4.230 3.843 0.387 18219 4157 1 8 . 1 1 107 107 LEU C C 98 174.174 174.174 177.797 -3.623 18219 4158 1 8 . 1 1 107 107 LEU CA C 98 56.283 56.283 55.656 0.627 18219 4159 1 8 . 1 1 107 107 LEU CB C 98 42.362 42.362 39.712 2.650 18219 4160 1 8 . 1 1 107 107 LEU H H 98 7.688 7.688 8.150 -0.462 18219 4161 1 9 . 1 1 11 11 ASP N N 2 120.536 120.536 121.047 -0.511 18219 4162 1 9 . 1 1 11 11 ASP CA C 2 55.918 55.918 55.481 0.437 18219 4163 1 9 . 1 1 11 11 ASP CB C 2 37.959 37.959 41.560 -3.601 18219 4164 1 9 . 1 1 11 11 ASP H H 2 7.863 7.863 8.397 -0.534 18219 4165 1 9 . 1 1 12 12 LEU N N 3 121.414 121.414 120.783 0.631 18219 4166 1 9 . 1 1 12 12 LEU C C 3 176.162 176.162 178.921 -2.759 18219 4167 1 9 . 1 1 12 12 LEU CA C 3 57.600 57.600 55.232 2.368 18219 4168 1 9 . 1 1 12 12 LEU CB C 3 41.657 41.657 42.435 -0.778 18219 4169 1 9 . 1 1 12 12 LEU H H 3 8.285 8.285 7.620 0.665 18219 4170 1 9 . 1 1 13 13 ILE N N 4 118.854 118.854 118.940 -0.086 18219 4171 1 9 . 1 1 13 13 ILE HA H 4 3.740 3.740 3.850 -0.110 18219 4172 1 9 . 1 1 13 13 ILE C C 4 175.228 175.228 177.467 -2.239 18219 4173 1 9 . 1 1 13 13 ILE CA C 4 64.500 64.500 63.599 0.901 18219 4174 1 9 . 1 1 13 13 ILE CB C 4 37.102 37.102 37.911 -0.809 18219 4175 1 9 . 1 1 13 13 ILE H H 4 8.031 8.031 7.953 0.078 18219 4176 1 9 . 1 1 14 14 GLY N N 5 107.478 107.478 106.570 0.908 18219 4177 1 9 . 1 1 14 14 GLY C C 5 174.424 174.424 176.045 -1.621 18219 4178 1 9 . 1 1 14 14 GLY CA C 5 47.059 47.059 46.740 0.319 18219 4179 1 9 . 1 1 14 14 GLY H H 5 8.148 8.148 8.225 -0.077 18219 4180 1 9 . 1 1 15 15 PHE N N 6 122.774 122.774 124.209 -1.435 18219 4181 1 9 . 1 1 15 15 PHE HA H 6 4.480 4.480 4.419 0.061 18219 4182 1 9 . 1 1 15 15 PHE C C 6 175.113 175.113 177.302 -2.189 18219 4183 1 9 . 1 1 15 15 PHE CA C 6 60.017 60.017 61.531 -1.514 18219 4184 1 9 . 1 1 15 15 PHE CB C 6 38.774 38.774 39.132 -0.358 18219 4185 1 9 . 1 1 15 15 PHE H H 6 8.194 8.194 8.580 -0.386 18219 4186 1 9 . 1 1 16 16 GLY N N 7 107.938 107.938 107.299 0.639 18219 4187 1 9 . 1 1 16 16 GLY C C 7 171.838 171.838 175.506 -3.668 18219 4188 1 9 . 1 1 16 16 GLY CA C 7 47.100 47.100 47.714 -0.614 18219 4189 1 9 . 1 1 16 16 GLY H H 7 8.697 8.697 8.356 0.341 18219 4190 1 9 . 1 1 17 17 TYR N N 8 121.785 121.785 122.795 -1.010 18219 4191 1 9 . 1 1 17 17 TYR HA H 8 4.150 4.150 4.107 0.043 18219 4192 1 9 . 1 1 17 17 TYR C C 8 174.180 174.180 177.470 -3.290 18219 4193 1 9 . 1 1 17 17 TYR CA C 8 61.300 61.300 61.484 -0.185 18219 4194 1 9 . 1 1 17 17 TYR CB C 8 37.959 37.959 38.196 -0.237 18219 4195 1 9 . 1 1 17 17 TYR H H 8 8.710 8.710 8.201 0.509 18219 4196 1 9 . 1 1 18 18 ALA N N 9 120.233 120.233 120.367 -0.134 18219 4197 1 9 . 1 1 18 18 ALA HA H 9 3.950 3.950 4.015 -0.065 18219 4198 1 9 . 1 1 18 18 ALA C C 9 178.059 178.059 179.259 -1.200 18219 4199 1 9 . 1 1 18 18 ALA CA C 9 54.872 54.872 54.509 0.363 18219 4200 1 9 . 1 1 18 18 ALA CB C 9 17.562 17.562 17.363 0.199 18219 4201 1 9 . 1 1 18 18 ALA H H 9 7.843 7.843 8.029 -0.186 18219 4202 1 9 . 1 1 19 19 ALA N N 10 121.797 121.797 122.890 -1.093 18219 4203 1 9 . 1 1 19 19 ALA HA H 10 3.950 3.950 4.002 -0.052 18219 4204 1 9 . 1 1 19 19 ALA C C 10 176.191 176.191 179.389 -3.198 18219 4205 1 9 . 1 1 19 19 ALA CA C 10 54.600 54.600 54.957 -0.357 18219 4206 1 9 . 1 1 19 19 ALA CB C 10 17.562 17.562 18.320 -0.758 18219 4207 1 9 . 1 1 19 19 ALA H H 10 8.212 8.212 8.024 0.188 18219 4208 1 9 . 1 1 20 20 LEU N N 11 119.442 119.442 117.652 1.790 18219 4209 1 9 . 1 1 20 20 LEU HA H 11 3.937 3.937 3.976 -0.039 18219 4210 1 9 . 1 1 20 20 LEU C C 11 176.694 176.694 178.915 -2.221 18219 4211 1 9 . 1 1 20 20 LEU CA C 11 57.800 57.800 57.839 -0.039 18219 4212 1 9 . 1 1 20 20 LEU CB C 11 41.222 41.222 40.981 0.241 18219 4213 1 9 . 1 1 20 20 LEU H H 11 8.065 8.065 7.895 0.170 18219 4214 1 9 . 1 1 21 21 VAL N N 12 118.323 118.323 120.349 -2.026 18219 4215 1 9 . 1 1 21 21 VAL HA H 12 3.640 3.640 3.603 0.037 18219 4216 1 9 . 1 1 21 21 VAL C C 12 176.536 176.536 178.587 -2.051 18219 4217 1 9 . 1 1 21 21 VAL CA C 12 65.400 65.400 65.984 -0.584 18219 4218 1 9 . 1 1 21 21 VAL CB C 12 31.135 31.135 30.365 0.770 18219 4219 1 9 . 1 1 21 21 VAL H H 12 8.051 8.051 8.307 -0.256 18219 4220 1 9 . 1 1 22 22 THR N N 13 118.298 118.298 117.129 1.169 18219 4221 1 9 . 1 1 22 22 THR HA H 13 4.660 4.660 4.007 0.653 18219 4222 1 9 . 1 1 22 22 THR C C 13 173.734 173.734 176.501 -2.767 18219 4223 1 9 . 1 1 22 22 THR CA C 13 66.300 66.300 67.238 -0.938 18219 4224 1 9 . 1 1 22 22 THR CB C 13 67.775 67.775 68.713 -0.938 18219 4225 1 9 . 1 1 22 22 THR H H 13 7.944 7.944 8.056 -0.112 18219 4226 1 9 . 1 1 23 23 PHE N N 14 121.328 121.328 122.382 -1.054 18219 4227 1 9 . 1 1 23 23 PHE HA H 14 4.340 4.340 4.211 0.129 18219 4228 1 9 . 1 1 23 23 PHE C C 14 174.783 174.783 177.334 -2.551 18219 4229 1 9 . 1 1 23 23 PHE CA C 14 60.500 60.500 61.823 -1.323 18219 4230 1 9 . 1 1 23 23 PHE CB C 14 38.626 38.626 38.977 -0.351 18219 4231 1 9 . 1 1 23 23 PHE H H 14 8.567 8.567 8.419 0.148 18219 4232 1 9 . 1 1 24 24 GLY N N 15 106.871 106.871 105.029 1.842 18219 4233 1 9 . 1 1 24 24 GLY C C 15 172.858 172.858 176.730 -3.872 18219 4234 1 9 . 1 1 24 24 GLY CA C 15 46.900 46.900 47.257 -0.357 18219 4235 1 9 . 1 1 24 24 GLY H H 15 8.475 8.475 8.985 -0.510 18219 4236 1 9 . 1 1 25 25 SER N N 16 116.214 116.214 117.905 -1.691 18219 4237 1 9 . 1 1 25 25 SER HA H 16 4.280 4.280 4.292 -0.012 18219 4238 1 9 . 1 1 25 25 SER CA C 16 60.300 60.300 61.277 -0.977 18219 4239 1 9 . 1 1 25 25 SER CB C 16 62.879 62.879 63.178 -0.299 18219 4240 1 9 . 1 1 25 25 SER H H 16 7.963 7.963 7.989 -0.026 18219 4241 1 9 . 1 1 26 26 ILE N N 17 121.024 121.024 121.602 -0.578 18219 4242 1 9 . 1 1 26 26 ILE HA H 17 3.946 3.946 3.665 0.281 18219 4243 1 9 . 1 1 26 26 ILE C C 17 173.935 173.935 178.171 -4.236 18219 4244 1 9 . 1 1 26 26 ILE CA C 17 63.100 63.100 64.528 -1.428 18219 4245 1 9 . 1 1 26 26 ILE CB C 17 38.107 38.107 38.138 -0.031 18219 4246 1 9 . 1 1 26 26 ILE H H 17 7.676 7.676 7.859 -0.183 18219 4247 1 9 . 1 1 27 27 PHE N N 18 117.142 117.142 119.224 -2.082 18219 4248 1 9 . 1 1 27 27 PHE HA H 18 4.430 4.430 3.907 0.523 18219 4249 1 9 . 1 1 27 27 PHE C C 18 173.504 173.504 176.308 -2.804 18219 4250 1 9 . 1 1 27 27 PHE CA C 18 58.500 58.500 60.659 -2.159 18219 4251 1 9 . 1 1 27 27 PHE CB C 18 38.774 38.774 39.289 -0.515 18219 4252 1 9 . 1 1 27 27 PHE H H 18 7.703 7.703 8.091 -0.388 18219 4253 1 9 . 1 1 28 28 GLY N N 19 107.303 107.303 105.686 1.617 18219 4254 1 9 . 1 1 28 28 GLY C C 19 171.593 171.593 173.571 -1.978 18219 4255 1 9 . 1 1 28 28 GLY CA C 19 45.600 45.600 45.252 0.348 18219 4256 1 9 . 1 1 28 28 GLY H H 19 7.722 7.722 7.809 -0.087 18219 4257 1 9 . 1 1 29 29 TYR N N 20 119.862 119.862 111.585 8.277 18219 4258 1 9 . 1 1 29 29 TYR HA H 20 4.392 4.392 4.410 -0.018 18219 4259 1 9 . 1 1 29 29 TYR C C 20 173.174 173.174 174.657 -1.483 18219 4260 1 9 . 1 1 29 29 TYR CA C 20 58.500 58.500 56.703 1.797 18219 4261 1 9 . 1 1 29 29 TYR CB C 20 38.404 38.404 36.842 1.562 18219 4262 1 9 . 1 1 29 29 TYR H H 20 7.880 7.880 8.287 -0.407 18219 4263 1 9 . 1 1 30 30 LYS N N 21 122.335 122.335 124.014 -1.679 18219 4264 1 9 . 1 1 30 30 LYS HA H 21 4.390 4.390 3.828 0.562 18219 4265 1 9 . 1 1 30 30 LYS C C 21 173.547 173.547 176.698 -3.151 18219 4266 1 9 . 1 1 30 30 LYS CA C 21 55.800 55.800 57.020 -1.220 18219 4267 1 9 . 1 1 30 30 LYS CB C 21 32.396 32.396 32.761 -0.365 18219 4268 1 9 . 1 1 30 30 LYS H H 21 7.934 7.934 8.223 -0.289 18219 4269 1 9 . 1 1 31 31 ARG N N 22 120.612 120.612 122.019 -1.407 18219 4270 1 9 . 1 1 31 31 ARG C C 22 173.547 173.547 175.413 -1.866 18219 4271 1 9 . 1 1 31 31 ARG CA C 22 55.834 55.834 55.977 -0.143 18219 4272 1 9 . 1 1 31 31 ARG CB C 22 30.101 30.101 30.616 -0.515 18219 4273 1 9 . 1 1 31 31 ARG H H 22 7.905 7.905 8.330 -0.425 18219 4274 1 9 . 1 1 32 32 ARG N N 23 121.748 121.748 122.780 -1.032 18219 4275 1 9 . 1 1 32 32 ARG HA H 23 4.310 4.310 4.307 0.003 18219 4276 1 9 . 1 1 32 32 ARG C C 23 173.863 173.863 176.514 -2.651 18219 4277 1 9 . 1 1 32 32 ARG CA C 23 55.800 55.800 56.671 -0.871 18219 4278 1 9 . 1 1 32 32 ARG CB C 23 30.245 30.245 30.773 -0.528 18219 4279 1 9 . 1 1 32 32 ARG H H 23 8.175 8.175 8.370 -0.195 18219 4280 1 9 . 1 1 33 33 GLY N N 24 109.528 109.528 106.093 3.435 18219 4281 1 9 . 1 1 33 33 GLY C C 24 171.752 171.752 174.031 -2.279 18219 4282 1 9 . 1 1 33 33 GLY CA C 24 44.900 44.900 44.340 0.560 18219 4283 1 9 . 1 1 33 33 GLY H H 24 8.264 8.264 8.098 0.166 18219 4284 1 9 . 1 1 34 34 GLY N N 25 108.563 108.563 107.081 1.482 18219 4285 1 9 . 1 1 34 34 GLY C C 25 171.701 171.701 174.976 -3.275 18219 4286 1 9 . 1 1 34 34 GLY CA C 25 44.600 44.600 44.708 -0.108 18219 4287 1 9 . 1 1 34 34 GLY H H 25 8.208 8.208 8.274 -0.066 18219 4288 1 9 . 1 1 35 35 VAL N N 26 121.164 121.164 122.158 -0.994 18219 4289 1 9 . 1 1 35 35 VAL HA H 26 4.010 4.010 3.905 0.105 18219 4290 1 9 . 1 1 35 35 VAL C C 26 175.888 175.888 176.084 -0.196 18219 4291 1 9 . 1 1 35 35 VAL CA C 26 63.900 63.900 65.178 -1.278 18219 4292 1 9 . 1 1 35 35 VAL CB C 26 30.690 30.690 31.481 -0.791 18219 4293 1 9 . 1 1 35 35 VAL H H 26 8.485 8.485 8.239 0.246 18219 4294 1 9 . 1 1 36 36 PRO C C 27 177.660 177.660 175.872 1.788 18219 4295 1 9 . 1 1 36 36 PRO CA C 27 61.847 61.847 63.568 -1.721 18219 4296 1 9 . 1 1 37 37 SER N N 28 116.023 116.023 115.729 0.294 18219 4297 1 9 . 1 1 37 37 SER HA H 28 4.280 4.280 4.887 -0.607 18219 4298 1 9 . 1 1 37 37 SER CA C 28 61.100 61.100 59.040 2.060 18219 4299 1 9 . 1 1 37 37 SER H H 28 7.948 7.948 8.372 -0.424 18219 4300 1 9 . 1 1 38 38 LEU N N 29 124.029 124.029 121.669 2.360 18219 4301 1 9 . 1 1 38 38 LEU HA H 29 4.170 4.170 4.041 0.129 18219 4302 1 9 . 1 1 38 38 LEU C C 29 176.132 176.132 178.459 -2.327 18219 4303 1 9 . 1 1 38 38 LEU CA C 29 57.500 57.500 58.351 -0.851 18219 4304 1 9 . 1 1 38 38 LEU CB C 29 42.038 42.038 40.772 1.266 18219 4305 1 9 . 1 1 38 38 LEU H H 29 8.201 8.201 7.386 0.815 18219 4306 1 9 . 1 1 39 39 ILE N N 30 117.098 117.098 119.112 -2.014 18219 4307 1 9 . 1 1 39 39 ILE HA H 30 4.370 4.370 3.719 0.651 18219 4308 1 9 . 1 1 39 39 ILE C C 30 176.478 176.478 177.682 -1.204 18219 4309 1 9 . 1 1 39 39 ILE CA C 30 63.079 63.079 63.905 -0.826 18219 4310 1 9 . 1 1 39 39 ILE CB C 30 36.973 36.973 36.789 0.184 18219 4311 1 9 . 1 1 39 39 ILE H H 30 7.662 7.662 8.214 -0.552 18219 4312 1 9 . 1 1 40 40 ALA N N 31 122.447 122.447 121.325 1.122 18219 4313 1 9 . 1 1 40 40 ALA HA H 31 4.034 4.034 4.098 -0.064 18219 4314 1 9 . 1 1 40 40 ALA C C 31 177.067 177.067 179.661 -2.594 18219 4315 1 9 . 1 1 40 40 ALA CA C 31 55.962 55.962 55.451 0.511 18219 4316 1 9 . 1 1 40 40 ALA CB C 31 17.856 17.856 18.117 -0.261 18219 4317 1 9 . 1 1 40 40 ALA H H 31 8.096 8.096 7.832 0.264 18219 4318 1 9 . 1 1 41 41 GLY N N 32 104.056 104.056 107.516 -3.460 18219 4319 1 9 . 1 1 41 41 GLY C C 32 174.251 174.251 175.939 -1.688 18219 4320 1 9 . 1 1 41 41 GLY CA C 32 46.500 46.500 46.934 -0.434 18219 4321 1 9 . 1 1 41 41 GLY H H 32 8.123 8.123 8.097 0.026 18219 4322 1 9 . 1 1 42 42 LEU N N 33 123.250 123.250 122.879 0.371 18219 4323 1 9 . 1 1 42 42 LEU HA H 33 3.857 3.857 3.923 -0.066 18219 4324 1 9 . 1 1 42 42 LEU C C 33 176.033 176.033 178.430 -2.397 18219 4325 1 9 . 1 1 42 42 LEU CA C 33 56.668 56.668 58.222 -1.554 18219 4326 1 9 . 1 1 42 42 LEU CB C 33 41.721 41.721 42.008 -0.287 18219 4327 1 9 . 1 1 42 42 LEU H H 33 7.914 7.914 8.393 -0.479 18219 4328 1 9 . 1 1 43 43 PHE N N 34 119.757 119.757 118.815 0.942 18219 4329 1 9 . 1 1 43 43 PHE HA H 34 4.200 4.200 4.018 0.182 18219 4330 1 9 . 1 1 43 43 PHE C C 34 174.374 174.374 177.788 -3.414 18219 4331 1 9 . 1 1 43 43 PHE CA C 34 59.876 59.876 62.090 -2.214 18219 4332 1 9 . 1 1 43 43 PHE CB C 34 38.834 38.834 38.753 0.081 18219 4333 1 9 . 1 1 43 43 PHE H H 34 8.287 8.287 8.196 0.091 18219 4334 1 9 . 1 1 44 44 VAL N N 35 117.791 117.791 118.286 -0.495 18219 4335 1 9 . 1 1 44 44 VAL HA H 35 3.610 3.610 3.684 -0.074 18219 4336 1 9 . 1 1 44 44 VAL C C 35 176.205 176.205 178.625 -2.420 18219 4337 1 9 . 1 1 44 44 VAL CA C 35 64.559 64.559 66.954 -2.395 18219 4338 1 9 . 1 1 44 44 VAL CB C 35 31.432 31.432 30.832 0.600 18219 4339 1 9 . 1 1 44 44 VAL H H 35 8.235 8.235 8.532 -0.297 18219 4340 1 9 . 1 1 45 45 GLY N N 36 108.551 108.551 107.126 1.425 18219 4341 1 9 . 1 1 45 45 GLY C C 36 173.749 173.749 175.902 -2.153 18219 4342 1 9 . 1 1 45 45 GLY CA C 36 46.083 46.083 47.285 -1.202 18219 4343 1 9 . 1 1 45 45 GLY H H 36 8.178 8.178 8.455 -0.277 18219 4344 1 9 . 1 1 46 46 CYS N N 37 121.173 121.173 122.289 -1.116 18219 4345 1 9 . 1 1 46 46 CYS HA H 37 4.180 4.180 3.950 0.230 18219 4346 1 9 . 1 1 46 46 CYS C C 37 173.710 173.710 176.865 -3.155 18219 4347 1 9 . 1 1 46 46 CYS CA C 37 63.000 63.000 64.094 -1.094 18219 4348 1 9 . 1 1 46 46 CYS CB C 37 60.283 60.283 27.400 32.883 18219 4349 1 9 . 1 1 46 46 CYS H H 37 8.253 8.253 8.126 0.127 18219 4350 1 9 . 1 1 47 47 LEU N N 38 120.283 120.283 119.246 1.037 18219 4351 1 9 . 1 1 47 47 LEU HA H 38 4.060 4.060 4.005 0.055 18219 4352 1 9 . 1 1 47 47 LEU C C 38 176.679 176.679 178.894 -2.215 18219 4353 1 9 . 1 1 47 47 LEU CA C 38 56.027 56.027 57.691 -1.665 18219 4354 1 9 . 1 1 47 47 LEU CB C 38 41.464 41.464 41.095 0.369 18219 4355 1 9 . 1 1 47 47 LEU H H 38 7.965 7.965 8.284 -0.319 18219 4356 1 9 . 1 1 48 48 ALA N N 39 122.249 122.249 122.628 -0.379 18219 4357 1 9 . 1 1 48 48 ALA HA H 39 4.142 4.142 4.060 0.082 18219 4358 1 9 . 1 1 48 48 ALA C C 39 177.915 177.915 179.942 -2.027 18219 4359 1 9 . 1 1 48 48 ALA CA C 39 53.717 53.717 55.081 -1.364 18219 4360 1 9 . 1 1 48 48 ALA CB C 39 17.985 17.985 18.204 -0.219 18219 4361 1 9 . 1 1 48 48 ALA H H 39 8.066 8.066 8.304 -0.238 18219 4362 1 9 . 1 1 49 49 GLY N N 40 107.377 107.377 107.307 0.070 18219 4363 1 9 . 1 1 49 49 GLY C C 40 172.527 172.527 175.469 -2.942 18219 4364 1 9 . 1 1 49 49 GLY CA C 40 45.450 45.450 46.597 -1.147 18219 4365 1 9 . 1 1 49 49 GLY H H 40 8.172 8.172 8.401 -0.229 18219 4366 1 9 . 1 1 50 50 TYR N N 41 122.409 122.409 123.771 -1.362 18219 4367 1 9 . 1 1 50 50 TYR HA H 41 3.799 3.799 4.022 -0.223 18219 4368 1 9 . 1 1 50 50 TYR C C 41 174.208 174.208 178.240 -4.032 18219 4369 1 9 . 1 1 50 50 TYR CA C 41 59.245 59.245 60.962 -1.717 18219 4370 1 9 . 1 1 50 50 TYR CB C 41 37.936 37.936 38.477 -0.541 18219 4371 1 9 . 1 1 50 50 TYR H H 41 7.800 7.800 8.373 -0.573 18219 4372 1 9 . 1 1 51 51 GLY N N 42 106.935 106.935 104.811 2.124 18219 4373 1 9 . 1 1 51 51 GLY C C 42 172.642 172.642 175.978 -3.336 18219 4374 1 9 . 1 1 51 51 GLY CA C 42 46.265 46.265 45.648 0.617 18219 4375 1 9 . 1 1 51 51 GLY H H 42 8.199 8.199 8.521 -0.322 18219 4376 1 9 . 1 1 52 52 ALA N N 43 123.018 123.018 124.559 -1.541 18219 4377 1 9 . 1 1 52 52 ALA HA H 43 4.150 4.150 4.016 0.134 18219 4378 1 9 . 1 1 52 52 ALA C C 43 176.398 176.398 177.976 -1.578 18219 4379 1 9 . 1 1 52 52 ALA CA C 43 52.883 52.883 53.977 -1.094 18219 4380 1 9 . 1 1 52 52 ALA CB C 43 18.241 18.241 18.358 -0.117 18219 4381 1 9 . 1 1 52 52 ALA H H 43 7.758 7.758 8.128 -0.370 18219 4382 1 9 . 1 1 53 53 TYR N N 44 119.664 119.664 117.831 1.833 18219 4383 1 9 . 1 1 53 53 TYR HA H 44 4.318 4.318 4.313 0.005 18219 4384 1 9 . 1 1 53 53 TYR C C 44 174.180 174.180 177.493 -3.313 18219 4385 1 9 . 1 1 53 53 TYR CA C 44 58.593 58.593 59.808 -1.215 18219 4386 1 9 . 1 1 53 53 TYR CB C 44 38.192 38.192 39.030 -0.838 18219 4387 1 9 . 1 1 53 53 TYR H H 44 7.920 7.920 8.112 -0.192 18219 4388 1 9 . 1 1 54 54 ARG N N 45 119.516 119.516 120.020 -0.504 18219 4389 1 9 . 1 1 54 54 ARG HA H 45 3.930 3.930 4.049 -0.119 18219 4390 1 9 . 1 1 54 54 ARG C C 45 174.423 174.423 176.681 -2.258 18219 4391 1 9 . 1 1 54 54 ARG CA C 45 56.027 56.027 57.731 -1.704 18219 4392 1 9 . 1 1 54 54 ARG CB C 45 30.173 30.173 29.710 0.463 18219 4393 1 9 . 1 1 54 54 ARG H H 45 7.956 7.956 7.638 0.318 18219 4394 1 9 . 1 1 55 55 VAL N N 46 116.437 116.437 119.271 -2.834 18219 4395 1 9 . 1 1 55 55 VAL HA H 46 4.060 4.060 3.780 0.280 18219 4396 1 9 . 1 1 55 55 VAL C C 46 173.806 173.806 177.175 -3.369 18219 4397 1 9 . 1 1 55 55 VAL CA C 46 62.300 62.300 64.852 -2.552 18219 4398 1 9 . 1 1 55 55 VAL CB C 46 31.521 31.521 31.138 0.383 18219 4399 1 9 . 1 1 55 55 VAL H H 46 7.489 7.489 7.281 0.208 18219 4400 1 9 . 1 1 56 56 SER N N 47 117.185 117.185 114.299 2.886 18219 4401 1 9 . 1 1 56 56 SER HA H 47 4.401 4.401 4.293 0.108 18219 4402 1 9 . 1 1 56 56 SER C C 47 172.074 172.074 174.386 -2.312 18219 4403 1 9 . 1 1 56 56 SER CA C 47 58.133 58.133 59.248 -1.115 18219 4404 1 9 . 1 1 56 56 SER CB C 47 63.468 63.468 62.609 0.859 18219 4405 1 9 . 1 1 56 56 SER H H 47 7.728 7.728 7.496 0.232 18219 4406 1 9 . 1 1 57 57 ASN N N 48 121.049 121.049 118.756 2.293 18219 4407 1 9 . 1 1 57 57 ASN HA H 48 4.590 4.590 4.717 -0.127 18219 4408 1 9 . 1 1 57 57 ASN CA C 48 53.600 53.600 54.091 -0.491 18219 4409 1 9 . 1 1 57 57 ASN CB C 48 38.641 38.641 39.445 -0.804 18219 4410 1 9 . 1 1 57 57 ASN H H 48 8.228 8.228 8.012 0.215 18219 4411 1 9 . 1 1 58 58 ASP N N 49 120.276 120.276 120.212 0.064 18219 4412 1 9 . 1 1 58 58 ASP HA H 49 4.530 4.530 4.535 -0.005 18219 4413 1 9 . 1 1 58 58 ASP CA C 49 54.202 54.202 54.761 -0.559 18219 4414 1 9 . 1 1 58 58 ASP CB C 49 40.374 40.374 41.597 -1.223 18219 4415 1 9 . 1 1 58 58 ASP H H 49 8.192 8.192 8.270 -0.078 18219 4416 1 9 . 1 1 59 59 LYS N N 50 120.660 120.660 116.711 3.949 18219 4417 1 9 . 1 1 59 59 LYS HA H 50 4.200 4.200 3.925 0.275 18219 4418 1 9 . 1 1 59 59 LYS C C 50 173.474 173.474 175.312 -1.838 18219 4419 1 9 . 1 1 59 59 LYS CA C 50 56.300 56.300 57.018 -0.718 18219 4420 1 9 . 1 1 59 59 LYS CB C 50 32.034 32.034 30.930 1.104 18219 4421 1 9 . 1 1 59 59 LYS H H 50 8.003 8.003 7.524 0.479 18219 4422 1 9 . 1 1 60 60 ARG N N 51 121.278 121.278 117.868 3.410 18219 4423 1 9 . 1 1 60 60 ARG HA H 51 4.200 4.200 4.163 0.037 18219 4424 1 9 . 1 1 60 60 ARG C C 51 173.303 173.303 174.493 -1.190 18219 4425 1 9 . 1 1 60 60 ARG CA C 51 56.283 56.283 56.796 -0.513 18219 4426 1 9 . 1 1 60 60 ARG CB C 51 30.238 30.238 31.167 -0.929 18219 4427 1 9 . 1 1 60 60 ARG H H 51 8.091 8.091 7.846 0.245 18219 4428 1 9 . 1 1 61 61 ASP N N 52 121.185 121.185 117.543 3.642 18219 4429 1 9 . 1 1 61 61 ASP HA H 52 4.615 4.615 4.764 -0.149 18219 4430 1 9 . 1 1 61 61 ASP C C 52 173.777 173.777 176.620 -2.843 18219 4431 1 9 . 1 1 61 61 ASP CA C 52 53.979 53.979 55.431 -1.452 18219 4432 1 9 . 1 1 61 61 ASP CB C 52 40.245 40.245 41.531 -1.286 18219 4433 1 9 . 1 1 61 61 ASP H H 52 8.261 8.261 8.508 -0.247 18219 4434 1 9 . 1 1 62 62 VAL N N 53 121.902 121.902 119.190 2.712 18219 4435 1 9 . 1 1 62 62 VAL HA H 53 3.950 3.950 4.295 -0.345 18219 4436 1 9 . 1 1 62 62 VAL C C 53 173.279 173.279 176.804 -3.525 18219 4437 1 9 . 1 1 62 62 VAL CA C 53 63.176 63.176 63.133 0.043 18219 4438 1 9 . 1 1 62 62 VAL CB C 53 32.099 32.099 32.495 -0.396 18219 4439 1 9 . 1 1 62 62 VAL H H 53 7.997 7.997 8.249 -0.252 18219 4440 1 9 . 1 1 63 63 LYS N N 54 123.522 123.522 121.850 1.672 18219 4441 1 9 . 1 1 63 63 LYS HA H 54 4.260 4.260 4.181 0.079 18219 4442 1 9 . 1 1 63 63 LYS C C 54 174.481 174.481 178.637 -4.156 18219 4443 1 9 . 1 1 63 63 LYS CA C 54 56.347 56.347 59.861 -3.514 18219 4444 1 9 . 1 1 63 63 LYS CB C 54 32.099 32.099 31.778 0.321 18219 4445 1 9 . 1 1 63 63 LYS H H 54 8.054 8.054 8.286 -0.232 18219 4446 1 9 . 1 1 64 64 VAL N N 55 120.647 120.647 117.713 2.934 18219 4447 1 9 . 1 1 64 64 VAL HA H 55 3.947 3.947 3.855 0.092 18219 4448 1 9 . 1 1 64 64 VAL C C 55 174.955 174.955 177.497 -2.542 18219 4449 1 9 . 1 1 64 64 VAL CA C 55 64.600 64.600 65.520 -0.920 18219 4450 1 9 . 1 1 64 64 VAL CB C 55 31.877 31.877 31.064 0.814 18219 4451 1 9 . 1 1 64 64 VAL H H 55 8.225 8.225 8.154 0.071 18219 4452 1 9 . 1 1 65 65 SER N N 56 117.785 117.785 116.100 1.685 18219 4453 1 9 . 1 1 65 65 SER HA H 56 4.390 4.390 4.267 0.123 18219 4454 1 9 . 1 1 65 65 SER C C 56 172.300 172.300 176.821 -4.521 18219 4455 1 9 . 1 1 65 65 SER CA C 56 60.000 60.000 62.388 -2.388 18219 4456 1 9 . 1 1 65 65 SER CB C 56 62.879 62.879 62.952 -0.073 18219 4457 1 9 . 1 1 65 65 SER H H 56 8.260 8.260 7.428 0.832 18219 4458 1 9 . 1 1 66 66 LEU N N 57 123.318 123.318 123.048 0.270 18219 4459 1 9 . 1 1 66 66 LEU HA H 57 4.090 4.090 4.138 -0.048 18219 4460 1 9 . 1 1 66 66 LEU C C 57 175.932 175.932 178.648 -2.716 18219 4461 1 9 . 1 1 66 66 LEU CA C 57 57.502 57.502 58.545 -1.043 18219 4462 1 9 . 1 1 66 66 LEU CB C 57 41.721 41.721 42.116 -0.395 18219 4463 1 9 . 1 1 66 66 LEU H H 57 8.091 8.091 8.245 -0.154 18219 4464 1 9 . 1 1 67 67 PHE N N 58 118.020 118.020 117.151 0.869 18219 4465 1 9 . 1 1 67 67 PHE HA H 58 4.330 4.330 4.141 0.189 18219 4466 1 9 . 1 1 67 67 PHE C C 58 174.912 174.912 178.424 -3.512 18219 4467 1 9 . 1 1 67 67 PHE CA C 58 60.600 60.600 62.199 -1.599 18219 4468 1 9 . 1 1 67 67 PHE CB C 58 38.552 38.552 38.471 0.081 18219 4469 1 9 . 1 1 67 67 PHE H H 58 8.066 8.066 9.034 -0.968 18219 4470 1 9 . 1 1 68 68 THR N N 59 115.324 115.324 116.383 -1.059 18219 4471 1 9 . 1 1 68 68 THR HA H 59 4.310 4.310 4.106 0.204 18219 4472 1 9 . 1 1 68 68 THR C C 59 173.380 173.380 176.328 -2.948 18219 4473 1 9 . 1 1 68 68 THR CA C 59 66.313 66.313 67.452 -1.139 18219 4474 1 9 . 1 1 68 68 THR CB C 59 67.700 67.700 68.910 -1.210 18219 4475 1 9 . 1 1 68 68 THR H H 59 8.287 8.287 8.147 0.140 18219 4476 1 9 . 1 1 69 69 ALA N N 60 123.621 123.621 124.782 -1.161 18219 4477 1 9 . 1 1 69 69 ALA HA H 60 4.280 4.280 4.158 0.122 18219 4478 1 9 . 1 1 69 69 ALA C C 60 176.978 176.978 180.034 -3.056 18219 4479 1 9 . 1 1 69 69 ALA CA C 60 55.100 55.100 55.341 -0.241 18219 4480 1 9 . 1 1 69 69 ALA CB C 60 17.728 17.728 18.217 -0.489 18219 4481 1 9 . 1 1 69 69 ALA H H 60 7.983 7.983 8.247 -0.264 18219 4482 1 9 . 1 1 70 70 PHE N N 61 118.520 118.520 117.590 0.930 18219 4483 1 9 . 1 1 70 70 PHE HA H 61 4.260 4.260 4.203 0.057 18219 4484 1 9 . 1 1 70 70 PHE C C 61 175.369 175.369 177.531 -2.162 18219 4485 1 9 . 1 1 70 70 PHE CA C 61 60.179 60.179 61.997 -1.818 18219 4486 1 9 . 1 1 70 70 PHE CB C 61 38.706 38.706 39.011 -0.305 18219 4487 1 9 . 1 1 70 70 PHE H H 61 8.007 8.007 8.891 -0.884 18219 4488 1 9 . 1 1 71 71 PHE N N 62 122.314 122.314 121.214 1.100 18219 4489 1 9 . 1 1 71 71 PHE HA H 62 4.000 4.000 4.235 -0.235 18219 4490 1 9 . 1 1 71 71 PHE C C 62 174.697 174.697 176.782 -2.085 18219 4491 1 9 . 1 1 71 71 PHE CA C 62 60.517 60.517 62.163 -1.646 18219 4492 1 9 . 1 1 71 71 PHE CB C 62 38.770 38.770 39.334 -0.564 18219 4493 1 9 . 1 1 71 71 PHE H H 62 8.546 8.546 8.251 0.295 18219 4494 1 9 . 1 1 72 72 LEU N N 63 119.399 119.399 120.143 -0.744 18219 4495 1 9 . 1 1 72 72 LEU HA H 63 3.870 3.870 3.627 0.243 18219 4496 1 9 . 1 1 72 72 LEU C C 63 175.774 175.774 178.716 -2.942 18219 4497 1 9 . 1 1 72 72 LEU CA C 63 56.925 56.925 57.784 -0.859 18219 4498 1 9 . 1 1 72 72 LEU CB C 63 41.207 41.207 41.174 0.033 18219 4499 1 9 . 1 1 72 72 LEU H H 63 8.396 8.396 8.876 -0.480 18219 4500 1 9 . 1 1 73 73 ALA N N 64 120.221 120.221 121.297 -1.076 18219 4501 1 9 . 1 1 73 73 ALA HA H 64 3.960 3.960 3.862 0.098 18219 4502 1 9 . 1 1 73 73 ALA C C 64 177.267 177.267 179.044 -1.777 18219 4503 1 9 . 1 1 73 73 ALA CA C 64 54.600 54.600 55.338 -0.738 18219 4504 1 9 . 1 1 73 73 ALA CB C 64 17.784 17.784 17.818 -0.034 18219 4505 1 9 . 1 1 73 73 ALA H H 64 8.025 8.025 8.004 0.021 18219 4506 1 9 . 1 1 74 74 THR N N 65 113.648 113.648 115.840 -2.192 18219 4507 1 9 . 1 1 74 74 THR HA H 65 3.980 3.980 3.740 0.240 18219 4508 1 9 . 1 1 74 74 THR CA C 65 66.291 66.291 66.506 -0.215 18219 4509 1 9 . 1 1 74 74 THR CB C 65 67.914 67.914 68.814 -0.900 18219 4510 1 9 . 1 1 74 74 THR H H 65 7.717 7.717 7.537 0.180 18219 4511 1 9 . 1 1 75 75 ILE N N 66 120.291 120.291 120.228 0.063 18219 4512 1 9 . 1 1 75 75 ILE HA H 66 3.740 3.740 3.464 0.276 18219 4513 1 9 . 1 1 75 75 ILE C C 66 174.951 174.951 178.279 -3.328 18219 4514 1 9 . 1 1 75 75 ILE CA C 66 64.880 64.880 63.497 1.383 18219 4515 1 9 . 1 1 75 75 ILE CB C 66 37.166 37.166 36.761 0.405 18219 4516 1 9 . 1 1 75 75 ILE H H 66 7.738 7.738 8.152 -0.414 18219 4517 1 9 . 1 1 76 76 MET N N 67 117.618 117.618 117.208 0.410 18219 4518 1 9 . 1 1 76 76 MET HA H 67 4.220 4.220 3.919 0.301 18219 4519 1 9 . 1 1 76 76 MET C C 67 175.142 175.142 178.331 -3.189 18219 4520 1 9 . 1 1 76 76 MET CA C 67 56.723 56.723 58.323 -1.600 18219 4521 1 9 . 1 1 76 76 MET CB C 67 31.951 31.951 33.137 -1.186 18219 4522 1 9 . 1 1 76 76 MET H H 67 7.823 7.823 8.254 -0.431 18219 4523 1 9 . 1 1 77 77 GLY N N 68 107.110 107.110 104.973 2.137 18219 4524 1 9 . 1 1 77 77 GLY C C 68 172.260 172.260 175.835 -3.575 18219 4525 1 9 . 1 1 77 77 GLY CA C 68 45.800 45.800 46.171 -0.371 18219 4526 1 9 . 1 1 77 77 GLY H H 68 7.937 7.937 8.313 -0.376 18219 4527 1 9 . 1 1 78 78 VAL N N 69 120.431 120.431 118.304 2.127 18219 4528 1 9 . 1 1 78 78 VAL HA H 69 4.220 4.220 3.767 0.453 18219 4529 1 9 . 1 1 78 78 VAL CA C 69 63.900 63.900 64.911 -1.011 18219 4530 1 9 . 1 1 78 78 VAL CB C 69 31.506 31.506 31.784 -0.278 18219 4531 1 9 . 1 1 78 78 VAL H H 69 7.697 7.697 8.358 -0.661 18219 4532 1 9 . 1 1 79 79 ARG N N 70 121.420 121.420 118.443 2.977 18219 4533 1 9 . 1 1 79 79 ARG HA H 70 3.810 3.810 4.471 -0.661 18219 4534 1 9 . 1 1 79 79 ARG CA C 70 56.400 56.400 55.770 0.630 18219 4535 1 9 . 1 1 79 79 ARG CB C 70 30.097 30.097 30.836 -0.739 18219 4536 1 9 . 1 1 79 79 ARG H H 70 7.889 7.889 7.691 0.198 18219 4537 1 9 . 1 1 80 80 PHE N N 71 119.949 119.949 128.161 -8.212 18219 4538 1 9 . 1 1 80 80 PHE HA H 71 4.510 4.510 4.571 -0.061 18219 4539 1 9 . 1 1 80 80 PHE CA C 71 58.600 58.600 58.084 0.516 18219 4540 1 9 . 1 1 80 80 PHE CB C 71 39.145 39.145 38.356 0.789 18219 4541 1 9 . 1 1 80 80 PHE H H 71 8.101 8.101 8.895 -0.794 18219 4542 1 9 . 1 1 81 81 LYS N N 72 122.193 122.193 123.953 -1.760 18219 4543 1 9 . 1 1 81 81 LYS CA C 72 56.800 56.800 56.233 0.567 18219 4544 1 9 . 1 1 81 81 LYS CB C 72 32.322 32.322 33.800 -1.478 18219 4545 1 9 . 1 1 81 81 LYS H H 72 8.090 8.090 8.039 0.051 18219 4546 1 9 . 1 1 82 82 ARG N N 73 119.650 119.650 120.239 -0.589 18219 4547 1 9 . 1 1 82 82 ARG CA C 73 56.089 56.089 56.309 -0.220 18219 4548 1 9 . 1 1 82 82 ARG CB C 73 30.171 30.171 30.788 -0.617 18219 4549 1 9 . 1 1 82 82 ARG H H 73 8.052 8.052 8.064 -0.012 18219 4550 1 9 . 1 1 83 83 SER N N 74 115.734 115.734 118.898 -3.164 18219 4551 1 9 . 1 1 83 83 SER CA C 74 58.355 58.355 57.510 0.845 18219 4552 1 9 . 1 1 83 83 SER CB C 74 63.404 63.404 64.504 -1.100 18219 4553 1 9 . 1 1 83 83 SER H H 74 7.912 7.912 8.460 -0.548 18219 4554 1 9 . 1 1 84 84 LYS N N 75 122.370 122.370 122.110 0.260 18219 4555 1 9 . 1 1 84 84 LYS CA C 75 56.135 56.135 55.286 0.849 18219 4556 1 9 . 1 1 84 84 LYS CB C 75 32.175 32.175 31.691 0.484 18219 4557 1 9 . 1 1 84 84 LYS H H 75 8.067 8.067 8.628 -0.561 18219 4558 1 9 . 1 1 86 86 ILE N N 77 119.592 119.592 117.857 1.735 18219 4559 1 9 . 1 1 86 86 ILE HA H 77 3.810 3.810 4.013 -0.203 18219 4560 1 9 . 1 1 86 86 ILE CA C 77 64.900 64.900 63.064 1.836 18219 4561 1 9 . 1 1 86 86 ILE CB C 77 39.145 39.145 39.033 0.112 18219 4562 1 9 . 1 1 86 86 ILE H H 77 7.837 7.837 7.649 0.188 18219 4563 1 9 . 1 1 87 87 MET N N 78 121.645 121.645 118.563 3.082 18219 4564 1 9 . 1 1 87 87 MET CA C 78 52.982 52.982 59.858 -6.876 18219 4565 1 9 . 1 1 87 87 MET CB C 78 32.173 32.173 30.799 1.374 18219 4566 1 9 . 1 1 87 87 MET H H 78 7.950 7.950 8.402 -0.452 18219 4567 1 9 . 1 1 88 88 PRO HA H 79 4.140 4.140 4.414 -0.274 18219 4568 1 9 . 1 1 88 88 PRO C C 79 173.921 173.921 177.595 -3.674 18219 4569 1 9 . 1 1 88 88 PRO CA C 79 62.800 62.800 63.186 -0.386 18219 4570 1 9 . 1 1 88 88 PRO CB C 79 31.136 31.136 32.057 -0.921 18219 4571 1 9 . 1 1 89 89 ALA N N 80 124.431 124.431 118.855 5.576 18219 4572 1 9 . 1 1 89 89 ALA HA H 80 4.400 4.400 4.067 0.333 18219 4573 1 9 . 1 1 89 89 ALA C C 80 176.234 176.234 179.666 -3.432 18219 4574 1 9 . 1 1 89 89 ALA CA C 80 53.300 53.300 54.348 -1.048 18219 4575 1 9 . 1 1 89 89 ALA CB C 80 18.498 18.498 17.271 1.227 18219 4576 1 9 . 1 1 89 89 ALA H H 80 8.320 8.320 8.561 -0.241 18219 4577 1 9 . 1 1 90 90 GLY N N 81 106.834 106.834 107.439 -0.605 18219 4578 1 9 . 1 1 90 90 GLY C C 81 172.398 172.398 175.660 -3.262 18219 4579 1 9 . 1 1 90 90 GLY CA C 81 45.600 45.600 47.248 -1.648 18219 4580 1 9 . 1 1 90 90 GLY H H 81 8.458 8.458 8.135 0.323 18219 4581 1 9 . 1 1 91 91 LEU N N 82 121.043 121.043 121.168 -0.125 18219 4582 1 9 . 1 1 91 91 LEU HA H 82 4.200 4.200 4.110 0.090 18219 4583 1 9 . 1 1 91 91 LEU C C 82 174.783 174.783 178.506 -3.723 18219 4584 1 9 . 1 1 91 91 LEU CA C 82 56.300 56.300 57.979 -1.679 18219 4585 1 9 . 1 1 91 91 LEU CB C 82 42.106 42.106 41.651 0.455 18219 4586 1 9 . 1 1 91 91 LEU H H 82 7.687 7.687 8.011 -0.324 18219 4587 1 9 . 1 1 92 92 VAL N N 83 114.737 114.737 120.090 -5.353 18219 4588 1 9 . 1 1 92 92 VAL HA H 83 3.980 3.980 3.589 0.391 18219 4589 1 9 . 1 1 92 92 VAL C C 83 173.634 173.634 177.765 -4.131 18219 4590 1 9 . 1 1 92 92 VAL CA C 83 62.400 62.400 67.098 -4.698 18219 4591 1 9 . 1 1 92 92 VAL CB C 83 31.585 31.585 31.392 0.193 18219 4592 1 9 . 1 1 92 92 VAL H H 83 7.602 7.602 7.872 -0.270 18219 4593 1 9 . 1 1 93 93 ALA N N 84 124.320 124.320 120.569 3.751 18219 4594 1 9 . 1 1 93 93 ALA HA H 84 4.150 4.150 4.071 0.079 18219 4595 1 9 . 1 1 93 93 ALA C C 84 175.746 175.746 179.866 -4.120 18219 4596 1 9 . 1 1 93 93 ALA CA C 84 53.300 53.300 55.398 -2.098 18219 4597 1 9 . 1 1 93 93 ALA CB C 84 18.241 18.241 17.996 0.245 18219 4598 1 9 . 1 1 93 93 ALA H H 84 7.891 7.891 8.593 -0.702 18219 4599 1 9 . 1 1 94 94 GLY N N 85 106.807 106.807 107.501 -0.694 18219 4600 1 9 . 1 1 94 94 GLY C C 85 171.752 171.752 175.918 -4.166 18219 4601 1 9 . 1 1 94 94 GLY CA C 85 45.249 45.249 46.595 -1.346 18219 4602 1 9 . 1 1 94 94 GLY H H 85 8.204 8.204 8.311 -0.107 18219 4603 1 9 . 1 1 95 95 LEU N N 86 121.266 121.266 121.457 -0.191 18219 4604 1 9 . 1 1 95 95 LEU HA H 86 4.380 4.380 4.048 0.332 18219 4605 1 9 . 1 1 95 95 LEU C C 86 173.702 173.702 178.996 -5.294 18219 4606 1 9 . 1 1 95 95 LEU CA C 86 55.000 55.000 57.923 -2.923 18219 4607 1 9 . 1 1 95 95 LEU CB C 86 42.298 42.298 41.298 1.000 18219 4608 1 9 . 1 1 95 95 LEU H H 86 7.718 7.718 8.207 -0.489 18219 4609 1 9 . 1 1 96 96 SER N N 87 115.658 115.658 115.560 0.098 18219 4610 1 9 . 1 1 96 96 SER HA H 87 4.370 4.370 4.229 0.141 18219 4611 1 9 . 1 1 96 96 SER C C 87 172.479 172.479 176.551 -4.072 18219 4612 1 9 . 1 1 96 96 SER CA C 87 57.200 57.200 63.177 -5.977 18219 4613 1 9 . 1 1 96 96 SER CB C 87 64.174 64.174 63.281 0.894 18219 4614 1 9 . 1 1 96 96 SER H H 87 7.659 7.659 8.228 -0.569 18219 4615 1 9 . 1 1 97 97 LEU N N 88 123.720 123.720 122.646 1.074 18219 4616 1 9 . 1 1 97 97 LEU HA H 88 4.600 4.600 3.968 0.632 18219 4617 1 9 . 1 1 97 97 LEU C C 88 175.932 175.932 178.839 -2.907 18219 4618 1 9 . 1 1 97 97 LEU CA C 88 57.600 57.600 57.925 -0.325 18219 4619 1 9 . 1 1 97 97 LEU CB C 88 41.400 41.400 42.006 -0.606 18219 4620 1 9 . 1 1 97 97 LEU H H 88 8.733 8.733 8.103 0.630 18219 4621 1 9 . 1 1 98 98 MET N N 89 116.684 116.684 119.640 -2.956 18219 4622 1 9 . 1 1 98 98 MET HA H 89 4.280 4.280 4.153 0.127 18219 4623 1 9 . 1 1 98 98 MET C C 89 175.789 175.789 177.988 -2.199 18219 4624 1 9 . 1 1 98 98 MET CA C 89 56.915 56.915 58.956 -2.041 18219 4625 1 9 . 1 1 98 98 MET CB C 89 31.007 31.007 32.815 -1.808 18219 4626 1 9 . 1 1 98 98 MET H H 89 8.342 8.342 8.196 0.146 18219 4627 1 9 . 1 1 99 99 MET N N 90 119.182 119.182 118.640 0.542 18219 4628 1 9 . 1 1 99 99 MET HA H 90 4.110 4.110 4.185 -0.075 18219 4629 1 9 . 1 1 99 99 MET C C 90 175.588 175.588 178.564 -2.976 18219 4630 1 9 . 1 1 99 99 MET CA C 90 57.951 57.951 58.554 -0.604 18219 4631 1 9 . 1 1 99 99 MET CB C 90 32.226 32.226 31.886 0.340 18219 4632 1 9 . 1 1 99 99 MET H H 90 7.720 7.720 8.207 -0.487 18219 4633 1 9 . 1 1 100 100 ILE N N 91 119.077 119.077 119.940 -0.863 18219 4634 1 9 . 1 1 100 100 ILE HA H 91 4.110 4.110 3.955 0.155 18219 4635 1 9 . 1 1 100 100 ILE C C 91 174.634 174.634 177.035 -2.401 18219 4636 1 9 . 1 1 100 100 ILE CA C 91 64.100 64.100 64.207 -0.107 18219 4637 1 9 . 1 1 100 100 ILE CB C 91 37.143 37.143 38.531 -1.388 18219 4638 1 9 . 1 1 100 100 ILE H H 91 7.662 7.662 8.273 -0.611 18219 4639 1 9 . 1 1 101 101 LEU N N 92 119.646 119.646 120.949 -1.303 18219 4640 1 9 . 1 1 101 101 LEU HA H 92 4.530 4.530 3.944 0.586 18219 4641 1 9 . 1 1 101 101 LEU C C 92 175.430 175.430 178.470 -3.040 18219 4642 1 9 . 1 1 101 101 LEU CA C 92 57.800 57.800 57.706 0.094 18219 4643 1 9 . 1 1 101 101 LEU CB C 92 40.758 40.758 41.668 -0.910 18219 4644 1 9 . 1 1 101 101 LEU H H 92 8.142 8.142 7.677 0.465 18219 4645 1 9 . 1 1 102 102 ARG N N 93 116.394 116.394 118.559 -2.165 18219 4646 1 9 . 1 1 102 102 ARG HA H 93 4.140 4.140 4.250 -0.110 18219 4647 1 9 . 1 1 102 102 ARG C C 93 175.961 175.961 178.531 -2.570 18219 4648 1 9 . 1 1 102 102 ARG CA C 93 59.100 59.100 58.596 0.504 18219 4649 1 9 . 1 1 102 102 ARG CB C 93 29.404 29.404 30.632 -1.228 18219 4650 1 9 . 1 1 102 102 ARG H H 93 7.893 7.893 8.063 -0.170 18219 4651 1 9 . 1 1 103 103 LEU N N 94 119.114 119.114 121.281 -2.167 18219 4652 1 9 . 1 1 103 103 LEU HA H 94 4.110 4.110 4.072 0.038 18219 4653 1 9 . 1 1 103 103 LEU C C 94 175.889 175.889 178.420 -2.531 18219 4654 1 9 . 1 1 103 103 LEU CA C 94 57.300 57.300 57.870 -0.570 18219 4655 1 9 . 1 1 103 103 LEU CB C 94 41.296 41.296 41.943 -0.647 18219 4656 1 9 . 1 1 103 103 LEU H H 94 7.622 7.622 7.923 -0.301 18219 4657 1 9 . 1 1 104 104 VAL N N 95 117.704 117.704 118.409 -0.705 18219 4658 1 9 . 1 1 104 104 VAL HA H 95 3.530 3.530 3.620 -0.090 18219 4659 1 9 . 1 1 104 104 VAL C C 95 175.042 175.042 177.313 -2.271 18219 4660 1 9 . 1 1 104 104 VAL CA C 95 66.419 66.419 65.456 0.963 18219 4661 1 9 . 1 1 104 104 VAL CB C 95 31.357 31.357 31.890 -0.533 18219 4662 1 9 . 1 1 104 104 VAL H H 95 8.026 8.026 7.988 0.038 18219 4663 1 9 . 1 1 105 105 LEU N N 96 117.185 117.185 116.648 0.537 18219 4664 1 9 . 1 1 105 105 LEU HA H 96 3.980 3.980 4.089 -0.109 18219 4665 1 9 . 1 1 105 105 LEU C C 96 176.579 176.579 177.757 -1.178 18219 4666 1 9 . 1 1 105 105 LEU CA C 96 56.800 56.800 56.304 0.496 18219 4667 1 9 . 1 1 105 105 LEU CB C 96 40.951 40.951 41.911 -0.960 18219 4668 1 9 . 1 1 105 105 LEU H H 96 7.893 7.893 7.414 0.479 18219 4669 1 9 . 1 1 106 106 LEU N N 97 118.471 118.471 118.469 0.002 18219 4670 1 9 . 1 1 106 106 LEU HA H 97 4.180 4.180 3.838 0.342 18219 4671 1 9 . 1 1 106 106 LEU C C 97 175.802 175.802 176.276 -0.474 18219 4672 1 9 . 1 1 106 106 LEU CA C 97 56.300 56.300 55.094 1.206 18219 4673 1 9 . 1 1 106 106 LEU CB C 97 41.592 41.592 41.130 0.462 18219 4674 1 9 . 1 1 106 106 LEU H H 97 7.545 7.545 7.359 0.186 18219 4675 1 9 . 1 1 107 107 LEU N N 98 118.162 118.162 114.203 3.959 18219 4676 1 9 . 1 1 107 107 LEU HA H 98 4.230 4.230 3.885 0.345 18219 4677 1 9 . 1 1 107 107 LEU C C 98 174.174 174.174 177.718 -3.544 18219 4678 1 9 . 1 1 107 107 LEU CA C 98 56.283 56.283 55.303 0.980 18219 4679 1 9 . 1 1 107 107 LEU CB C 98 42.362 42.362 39.661 2.701 18219 4680 1 9 . 1 1 107 107 LEU H H 98 7.688 7.688 8.304 -0.616 18219 4681 1 10 . 1 1 11 11 ASP N N 2 120.536 120.536 122.922 -2.386 18219 4682 1 10 . 1 1 11 11 ASP CA C 2 55.918 55.918 53.430 2.488 18219 4683 1 10 . 1 1 11 11 ASP CB C 2 37.959 37.959 43.245 -5.286 18219 4684 1 10 . 1 1 11 11 ASP H H 2 7.863 7.863 8.194 -0.331 18219 4685 1 10 . 1 1 12 12 LEU N N 3 121.414 121.414 122.086 -0.672 18219 4686 1 10 . 1 1 12 12 LEU C C 3 176.162 176.162 179.148 -2.986 18219 4687 1 10 . 1 1 12 12 LEU CA C 3 57.600 57.600 56.836 0.764 18219 4688 1 10 . 1 1 12 12 LEU CB C 3 41.657 41.657 42.197 -0.540 18219 4689 1 10 . 1 1 12 12 LEU H H 3 8.285 8.285 8.210 0.075 18219 4690 1 10 . 1 1 13 13 ILE N N 4 118.854 118.854 117.802 1.052 18219 4691 1 10 . 1 1 13 13 ILE HA H 4 3.740 3.740 3.854 -0.114 18219 4692 1 10 . 1 1 13 13 ILE C C 4 175.228 175.228 177.820 -2.592 18219 4693 1 10 . 1 1 13 13 ILE CA C 4 64.500 64.500 63.572 0.928 18219 4694 1 10 . 1 1 13 13 ILE CB C 4 37.102 37.102 37.855 -0.753 18219 4695 1 10 . 1 1 13 13 ILE H H 4 8.031 8.031 7.853 0.178 18219 4696 1 10 . 1 1 14 14 GLY N N 5 107.478 107.478 106.414 1.064 18219 4697 1 10 . 1 1 14 14 GLY C C 5 174.424 174.424 175.944 -1.520 18219 4698 1 10 . 1 1 14 14 GLY CA C 5 47.059 47.059 46.752 0.307 18219 4699 1 10 . 1 1 14 14 GLY H H 5 8.148 8.148 8.272 -0.124 18219 4700 1 10 . 1 1 15 15 PHE N N 6 122.774 122.774 123.818 -1.044 18219 4701 1 10 . 1 1 15 15 PHE HA H 6 4.480 4.480 4.295 0.185 18219 4702 1 10 . 1 1 15 15 PHE C C 6 175.113 175.113 177.185 -2.072 18219 4703 1 10 . 1 1 15 15 PHE CA C 6 60.017 60.017 61.875 -1.858 18219 4704 1 10 . 1 1 15 15 PHE CB C 6 38.774 38.774 38.640 0.134 18219 4705 1 10 . 1 1 15 15 PHE H H 6 8.194 8.194 8.695 -0.501 18219 4706 1 10 . 1 1 16 16 GLY N N 7 107.938 107.938 106.427 1.511 18219 4707 1 10 . 1 1 16 16 GLY C C 7 171.838 171.838 175.706 -3.868 18219 4708 1 10 . 1 1 16 16 GLY CA C 7 47.100 47.100 47.448 -0.348 18219 4709 1 10 . 1 1 16 16 GLY H H 7 8.697 8.697 8.575 0.122 18219 4710 1 10 . 1 1 17 17 TYR N N 8 121.785 121.785 123.404 -1.619 18219 4711 1 10 . 1 1 17 17 TYR HA H 8 4.150 4.150 4.107 0.043 18219 4712 1 10 . 1 1 17 17 TYR C C 8 174.180 174.180 177.626 -3.446 18219 4713 1 10 . 1 1 17 17 TYR CA C 8 61.300 61.300 61.249 0.051 18219 4714 1 10 . 1 1 17 17 TYR CB C 8 37.959 37.959 38.414 -0.455 18219 4715 1 10 . 1 1 17 17 TYR H H 8 8.710 8.710 8.151 0.559 18219 4716 1 10 . 1 1 18 18 ALA N N 9 120.233 120.233 119.913 0.320 18219 4717 1 10 . 1 1 18 18 ALA HA H 9 3.950 3.950 3.979 -0.029 18219 4718 1 10 . 1 1 18 18 ALA C C 9 178.059 178.059 178.934 -0.875 18219 4719 1 10 . 1 1 18 18 ALA CA C 9 54.872 54.872 54.536 0.336 18219 4720 1 10 . 1 1 18 18 ALA CB C 9 17.562 17.562 17.936 -0.374 18219 4721 1 10 . 1 1 18 18 ALA H H 9 7.843 7.843 8.407 -0.564 18219 4722 1 10 . 1 1 19 19 ALA N N 10 121.797 121.797 122.996 -1.199 18219 4723 1 10 . 1 1 19 19 ALA HA H 10 3.950 3.950 4.089 -0.139 18219 4724 1 10 . 1 1 19 19 ALA C C 10 176.191 176.191 179.455 -3.264 18219 4725 1 10 . 1 1 19 19 ALA CA C 10 54.600 54.600 54.912 -0.312 18219 4726 1 10 . 1 1 19 19 ALA CB C 10 17.562 17.562 18.367 -0.805 18219 4727 1 10 . 1 1 19 19 ALA H H 10 8.212 8.212 7.956 0.256 18219 4728 1 10 . 1 1 20 20 LEU N N 11 119.442 119.442 117.762 1.680 18219 4729 1 10 . 1 1 20 20 LEU HA H 11 3.937 3.937 3.990 -0.053 18219 4730 1 10 . 1 1 20 20 LEU C C 11 176.694 176.694 178.889 -2.195 18219 4731 1 10 . 1 1 20 20 LEU CA C 11 57.800 57.800 57.886 -0.086 18219 4732 1 10 . 1 1 20 20 LEU CB C 11 41.222 41.222 41.062 0.160 18219 4733 1 10 . 1 1 20 20 LEU H H 11 8.065 8.065 7.960 0.105 18219 4734 1 10 . 1 1 21 21 VAL N N 12 118.323 118.323 120.507 -2.184 18219 4735 1 10 . 1 1 21 21 VAL HA H 12 3.640 3.640 3.580 0.060 18219 4736 1 10 . 1 1 21 21 VAL C C 12 176.536 176.536 178.538 -2.002 18219 4737 1 10 . 1 1 21 21 VAL CA C 12 65.400 65.400 67.217 -1.817 18219 4738 1 10 . 1 1 21 21 VAL CB C 12 31.135 31.135 30.855 0.280 18219 4739 1 10 . 1 1 21 21 VAL H H 12 8.051 8.051 8.579 -0.528 18219 4740 1 10 . 1 1 22 22 THR N N 13 118.298 118.298 116.438 1.860 18219 4741 1 10 . 1 1 22 22 THR HA H 13 4.660 4.660 4.067 0.593 18219 4742 1 10 . 1 1 22 22 THR C C 13 173.734 173.734 176.790 -3.056 18219 4743 1 10 . 1 1 22 22 THR CA C 13 66.300 66.300 66.402 -0.102 18219 4744 1 10 . 1 1 22 22 THR CB C 13 67.775 67.775 68.376 -0.601 18219 4745 1 10 . 1 1 22 22 THR H H 13 7.944 7.944 7.951 -0.007 18219 4746 1 10 . 1 1 23 23 PHE N N 14 121.328 121.328 122.434 -1.106 18219 4747 1 10 . 1 1 23 23 PHE HA H 14 4.340 4.340 4.209 0.131 18219 4748 1 10 . 1 1 23 23 PHE C C 14 174.783 174.783 177.350 -2.567 18219 4749 1 10 . 1 1 23 23 PHE CA C 14 60.500 60.500 62.150 -1.650 18219 4750 1 10 . 1 1 23 23 PHE CB C 14 38.626 38.626 39.001 -0.375 18219 4751 1 10 . 1 1 23 23 PHE H H 14 8.567 8.567 8.468 0.099 18219 4752 1 10 . 1 1 24 24 GLY N N 15 106.871 106.871 105.429 1.442 18219 4753 1 10 . 1 1 24 24 GLY C C 15 172.858 172.858 175.955 -3.097 18219 4754 1 10 . 1 1 24 24 GLY CA C 15 46.900 46.900 47.245 -0.345 18219 4755 1 10 . 1 1 24 24 GLY H H 15 8.475 8.475 9.014 -0.539 18219 4756 1 10 . 1 1 25 25 SER N N 16 116.214 116.214 117.035 -0.821 18219 4757 1 10 . 1 1 25 25 SER HA H 16 4.280 4.280 4.421 -0.141 18219 4758 1 10 . 1 1 25 25 SER CA C 16 60.300 60.300 61.422 -1.122 18219 4759 1 10 . 1 1 25 25 SER CB C 16 62.879 62.879 63.106 -0.227 18219 4760 1 10 . 1 1 25 25 SER H H 16 7.963 7.963 7.951 0.012 18219 4761 1 10 . 1 1 26 26 ILE N N 17 121.024 121.024 121.348 -0.324 18219 4762 1 10 . 1 1 26 26 ILE HA H 17 3.946 3.946 3.723 0.223 18219 4763 1 10 . 1 1 26 26 ILE C C 17 173.935 173.935 177.931 -3.996 18219 4764 1 10 . 1 1 26 26 ILE CA C 17 63.100 63.100 64.297 -1.197 18219 4765 1 10 . 1 1 26 26 ILE CB C 17 38.107 38.107 37.348 0.759 18219 4766 1 10 . 1 1 26 26 ILE H H 17 7.676 7.676 8.083 -0.407 18219 4767 1 10 . 1 1 27 27 PHE N N 18 117.142 117.142 119.388 -2.246 18219 4768 1 10 . 1 1 27 27 PHE HA H 18 4.430 4.430 4.122 0.308 18219 4769 1 10 . 1 1 27 27 PHE C C 18 173.504 173.504 176.953 -3.449 18219 4770 1 10 . 1 1 27 27 PHE CA C 18 58.500 58.500 60.993 -2.493 18219 4771 1 10 . 1 1 27 27 PHE CB C 18 38.774 38.774 38.869 -0.095 18219 4772 1 10 . 1 1 27 27 PHE H H 18 7.703 7.703 8.419 -0.716 18219 4773 1 10 . 1 1 28 28 GLY N N 19 107.303 107.303 105.691 1.612 18219 4774 1 10 . 1 1 28 28 GLY C C 19 171.593 171.593 174.607 -3.014 18219 4775 1 10 . 1 1 28 28 GLY CA C 19 45.600 45.600 45.204 0.396 18219 4776 1 10 . 1 1 28 28 GLY H H 19 7.722 7.722 7.761 -0.039 18219 4777 1 10 . 1 1 29 29 TYR N N 20 119.862 119.862 119.469 0.393 18219 4778 1 10 . 1 1 29 29 TYR HA H 20 4.392 4.392 4.142 0.250 18219 4779 1 10 . 1 1 29 29 TYR C C 20 173.174 173.174 175.130 -1.956 18219 4780 1 10 . 1 1 29 29 TYR CA C 20 58.500 58.500 57.987 0.513 18219 4781 1 10 . 1 1 29 29 TYR CB C 20 38.404 38.404 36.443 1.961 18219 4782 1 10 . 1 1 29 29 TYR H H 20 7.880 7.880 8.009 -0.129 18219 4783 1 10 . 1 1 30 30 LYS N N 21 122.335 122.335 121.930 0.405 18219 4784 1 10 . 1 1 30 30 LYS HA H 21 4.390 4.390 3.992 0.398 18219 4785 1 10 . 1 1 30 30 LYS C C 21 173.547 173.547 176.502 -2.955 18219 4786 1 10 . 1 1 30 30 LYS CA C 21 55.800 55.800 57.799 -1.999 18219 4787 1 10 . 1 1 30 30 LYS CB C 21 32.396 32.396 32.762 -0.366 18219 4788 1 10 . 1 1 30 30 LYS H H 21 7.934 7.934 8.282 -0.348 18219 4789 1 10 . 1 1 31 31 ARG N N 22 120.612 120.612 123.861 -3.249 18219 4790 1 10 . 1 1 31 31 ARG C C 22 173.547 173.547 175.327 -1.780 18219 4791 1 10 . 1 1 31 31 ARG CA C 22 55.834 55.834 56.012 -0.178 18219 4792 1 10 . 1 1 31 31 ARG CB C 22 30.101 30.101 30.229 -0.128 18219 4793 1 10 . 1 1 31 31 ARG H H 22 7.905 7.905 8.687 -0.782 18219 4794 1 10 . 1 1 32 32 ARG N N 23 121.748 121.748 121.699 0.049 18219 4795 1 10 . 1 1 32 32 ARG HA H 23 4.310 4.310 4.574 -0.264 18219 4796 1 10 . 1 1 32 32 ARG C C 23 173.863 173.863 176.435 -2.572 18219 4797 1 10 . 1 1 32 32 ARG CA C 23 55.800 55.800 56.111 -0.311 18219 4798 1 10 . 1 1 32 32 ARG CB C 23 30.245 30.245 30.825 -0.580 18219 4799 1 10 . 1 1 32 32 ARG H H 23 8.175 8.175 8.503 -0.328 18219 4800 1 10 . 1 1 33 33 GLY N N 24 109.528 109.528 106.950 2.578 18219 4801 1 10 . 1 1 33 33 GLY C C 24 171.752 171.752 174.118 -2.366 18219 4802 1 10 . 1 1 33 33 GLY CA C 24 44.900 44.900 44.121 0.779 18219 4803 1 10 . 1 1 33 33 GLY H H 24 8.264 8.264 8.166 0.098 18219 4804 1 10 . 1 1 34 34 GLY N N 25 108.563 108.563 108.730 -0.167 18219 4805 1 10 . 1 1 34 34 GLY C C 25 171.701 171.701 174.181 -2.480 18219 4806 1 10 . 1 1 34 34 GLY CA C 25 44.600 44.600 44.794 -0.195 18219 4807 1 10 . 1 1 34 34 GLY H H 25 8.208 8.208 8.064 0.144 18219 4808 1 10 . 1 1 35 35 VAL N N 26 121.164 121.164 119.462 1.702 18219 4809 1 10 . 1 1 35 35 VAL HA H 26 4.010 4.010 4.036 -0.026 18219 4810 1 10 . 1 1 35 35 VAL C C 26 175.888 175.888 175.273 0.615 18219 4811 1 10 . 1 1 35 35 VAL CA C 26 63.900 63.900 63.622 0.278 18219 4812 1 10 . 1 1 35 35 VAL CB C 26 30.690 30.690 31.425 -0.735 18219 4813 1 10 . 1 1 35 35 VAL H H 26 8.485 8.485 8.008 0.477 18219 4814 1 10 . 1 1 36 36 PRO C C 27 177.660 177.660 176.341 1.319 18219 4815 1 10 . 1 1 36 36 PRO CA C 27 61.847 61.847 62.535 -0.688 18219 4816 1 10 . 1 1 37 37 SER N N 28 116.023 116.023 113.115 2.908 18219 4817 1 10 . 1 1 37 37 SER HA H 28 4.280 4.280 4.545 -0.265 18219 4818 1 10 . 1 1 37 37 SER CA C 28 61.100 61.100 59.933 1.167 18219 4819 1 10 . 1 1 37 37 SER H H 28 7.948 7.948 8.386 -0.438 18219 4820 1 10 . 1 1 38 38 LEU N N 29 124.029 124.029 122.537 1.492 18219 4821 1 10 . 1 1 38 38 LEU HA H 29 4.170 4.170 4.036 0.134 18219 4822 1 10 . 1 1 38 38 LEU C C 29 176.132 176.132 178.867 -2.735 18219 4823 1 10 . 1 1 38 38 LEU CA C 29 57.500 57.500 58.355 -0.855 18219 4824 1 10 . 1 1 38 38 LEU CB C 29 42.038 42.038 40.334 1.704 18219 4825 1 10 . 1 1 38 38 LEU H H 29 8.201 8.201 8.033 0.168 18219 4826 1 10 . 1 1 39 39 ILE N N 30 117.098 117.098 118.651 -1.553 18219 4827 1 10 . 1 1 39 39 ILE HA H 30 4.370 4.370 3.748 0.622 18219 4828 1 10 . 1 1 39 39 ILE C C 30 176.478 176.478 178.084 -1.606 18219 4829 1 10 . 1 1 39 39 ILE CA C 30 63.079 63.079 64.802 -1.722 18219 4830 1 10 . 1 1 39 39 ILE CB C 30 36.973 36.973 36.834 0.139 18219 4831 1 10 . 1 1 39 39 ILE H H 30 7.662 7.662 8.137 -0.475 18219 4832 1 10 . 1 1 40 40 ALA N N 31 122.447 122.447 121.771 0.676 18219 4833 1 10 . 1 1 40 40 ALA HA H 31 4.034 4.034 4.209 -0.175 18219 4834 1 10 . 1 1 40 40 ALA C C 31 177.067 177.067 179.808 -2.741 18219 4835 1 10 . 1 1 40 40 ALA CA C 31 55.962 55.962 55.302 0.660 18219 4836 1 10 . 1 1 40 40 ALA CB C 31 17.856 17.856 17.821 0.035 18219 4837 1 10 . 1 1 40 40 ALA H H 31 8.096 8.096 8.182 -0.086 18219 4838 1 10 . 1 1 41 41 GLY N N 32 104.056 104.056 108.122 -4.066 18219 4839 1 10 . 1 1 41 41 GLY C C 32 174.251 174.251 175.887 -1.636 18219 4840 1 10 . 1 1 41 41 GLY CA C 32 46.500 46.500 46.769 -0.269 18219 4841 1 10 . 1 1 41 41 GLY H H 32 8.123 8.123 8.340 -0.217 18219 4842 1 10 . 1 1 42 42 LEU N N 33 123.250 123.250 123.270 -0.020 18219 4843 1 10 . 1 1 42 42 LEU HA H 33 3.857 3.857 4.043 -0.186 18219 4844 1 10 . 1 1 42 42 LEU C C 33 176.033 176.033 178.288 -2.255 18219 4845 1 10 . 1 1 42 42 LEU CA C 33 56.668 56.668 57.840 -1.172 18219 4846 1 10 . 1 1 42 42 LEU CB C 33 41.721 41.721 42.013 -0.292 18219 4847 1 10 . 1 1 42 42 LEU H H 33 7.914 7.914 8.201 -0.287 18219 4848 1 10 . 1 1 43 43 PHE N N 34 119.757 119.757 119.323 0.434 18219 4849 1 10 . 1 1 43 43 PHE HA H 34 4.200 4.200 4.137 0.063 18219 4850 1 10 . 1 1 43 43 PHE C C 34 174.374 174.374 177.143 -2.769 18219 4851 1 10 . 1 1 43 43 PHE CA C 34 59.876 59.876 62.366 -2.490 18219 4852 1 10 . 1 1 43 43 PHE CB C 34 38.834 38.834 38.998 -0.164 18219 4853 1 10 . 1 1 43 43 PHE H H 34 8.287 8.287 8.322 -0.035 18219 4854 1 10 . 1 1 44 44 VAL N N 35 117.791 117.791 119.048 -1.257 18219 4855 1 10 . 1 1 44 44 VAL HA H 35 3.610 3.610 3.694 -0.084 18219 4856 1 10 . 1 1 44 44 VAL C C 35 176.205 176.205 178.637 -2.432 18219 4857 1 10 . 1 1 44 44 VAL CA C 35 64.559 64.559 65.749 -1.190 18219 4858 1 10 . 1 1 44 44 VAL CB C 35 31.432 31.432 30.991 0.441 18219 4859 1 10 . 1 1 44 44 VAL H H 35 8.235 8.235 8.267 -0.032 18219 4860 1 10 . 1 1 45 45 GLY N N 36 108.551 108.551 107.449 1.102 18219 4861 1 10 . 1 1 45 45 GLY C C 36 173.749 173.749 175.707 -1.958 18219 4862 1 10 . 1 1 45 45 GLY CA C 36 46.083 46.083 47.236 -1.153 18219 4863 1 10 . 1 1 45 45 GLY H H 36 8.178 8.178 8.272 -0.094 18219 4864 1 10 . 1 1 46 46 CYS N N 37 121.173 121.173 122.254 -1.081 18219 4865 1 10 . 1 1 46 46 CYS HA H 37 4.180 4.180 4.036 0.144 18219 4866 1 10 . 1 1 46 46 CYS C C 37 173.710 173.710 176.535 -2.825 18219 4867 1 10 . 1 1 46 46 CYS CA C 37 63.000 63.000 63.628 -0.628 18219 4868 1 10 . 1 1 46 46 CYS CB C 37 60.283 60.283 27.757 32.526 18219 4869 1 10 . 1 1 46 46 CYS H H 37 8.253 8.253 8.039 0.214 18219 4870 1 10 . 1 1 47 47 LEU N N 38 120.283 120.283 119.862 0.421 18219 4871 1 10 . 1 1 47 47 LEU HA H 38 4.060 4.060 4.004 0.056 18219 4872 1 10 . 1 1 47 47 LEU C C 38 176.679 176.679 178.293 -1.614 18219 4873 1 10 . 1 1 47 47 LEU CA C 38 56.027 56.027 58.080 -2.053 18219 4874 1 10 . 1 1 47 47 LEU CB C 38 41.464 41.464 40.720 0.744 18219 4875 1 10 . 1 1 47 47 LEU H H 38 7.965 7.965 8.380 -0.415 18219 4876 1 10 . 1 1 48 48 ALA N N 39 122.249 122.249 122.447 -0.198 18219 4877 1 10 . 1 1 48 48 ALA HA H 39 4.142 4.142 3.951 0.191 18219 4878 1 10 . 1 1 48 48 ALA C C 39 177.915 177.915 179.536 -1.621 18219 4879 1 10 . 1 1 48 48 ALA CA C 39 53.717 53.717 55.240 -1.523 18219 4880 1 10 . 1 1 48 48 ALA CB C 39 17.985 17.985 18.082 -0.097 18219 4881 1 10 . 1 1 48 48 ALA H H 39 8.066 8.066 8.237 -0.171 18219 4882 1 10 . 1 1 49 49 GLY N N 40 107.377 107.377 107.537 -0.160 18219 4883 1 10 . 1 1 49 49 GLY C C 40 172.527 172.527 175.708 -3.181 18219 4884 1 10 . 1 1 49 49 GLY CA C 40 45.450 45.450 46.785 -1.335 18219 4885 1 10 . 1 1 49 49 GLY H H 40 8.172 8.172 8.066 0.106 18219 4886 1 10 . 1 1 50 50 TYR N N 41 122.409 122.409 123.329 -0.920 18219 4887 1 10 . 1 1 50 50 TYR HA H 41 3.799 3.799 4.221 -0.422 18219 4888 1 10 . 1 1 50 50 TYR C C 41 174.208 174.208 177.722 -3.514 18219 4889 1 10 . 1 1 50 50 TYR CA C 41 59.245 59.245 60.769 -1.524 18219 4890 1 10 . 1 1 50 50 TYR CB C 41 37.936 37.936 38.268 -0.332 18219 4891 1 10 . 1 1 50 50 TYR H H 41 7.800 7.800 8.465 -0.665 18219 4892 1 10 . 1 1 51 51 GLY N N 42 106.935 106.935 104.450 2.485 18219 4893 1 10 . 1 1 51 51 GLY C C 42 172.642 172.642 175.398 -2.756 18219 4894 1 10 . 1 1 51 51 GLY CA C 42 46.265 46.265 45.667 0.598 18219 4895 1 10 . 1 1 51 51 GLY H H 42 8.199 8.199 8.382 -0.183 18219 4896 1 10 . 1 1 52 52 ALA N N 43 123.018 123.018 125.735 -2.717 18219 4897 1 10 . 1 1 52 52 ALA HA H 43 4.150 4.150 4.036 0.114 18219 4898 1 10 . 1 1 52 52 ALA C C 43 176.398 176.398 179.273 -2.875 18219 4899 1 10 . 1 1 52 52 ALA CA C 43 52.883 52.883 54.642 -1.759 18219 4900 1 10 . 1 1 52 52 ALA CB C 43 18.241 18.241 18.053 0.188 18219 4901 1 10 . 1 1 52 52 ALA H H 43 7.758 7.758 7.981 -0.223 18219 4902 1 10 . 1 1 53 53 TYR N N 44 119.664 119.664 116.816 2.848 18219 4903 1 10 . 1 1 53 53 TYR HA H 44 4.318 4.318 4.188 0.130 18219 4904 1 10 . 1 1 53 53 TYR C C 44 174.180 174.180 177.631 -3.451 18219 4905 1 10 . 1 1 53 53 TYR CA C 44 58.593 58.593 61.780 -3.187 18219 4906 1 10 . 1 1 53 53 TYR CB C 44 38.192 38.192 38.418 -0.226 18219 4907 1 10 . 1 1 53 53 TYR H H 44 7.920 7.920 8.145 -0.225 18219 4908 1 10 . 1 1 54 54 ARG N N 45 119.516 119.516 118.200 1.316 18219 4909 1 10 . 1 1 54 54 ARG HA H 45 3.930 3.930 4.400 -0.470 18219 4910 1 10 . 1 1 54 54 ARG C C 45 174.423 174.423 177.556 -3.133 18219 4911 1 10 . 1 1 54 54 ARG CA C 45 56.027 56.027 56.526 -0.499 18219 4912 1 10 . 1 1 54 54 ARG CB C 45 30.173 30.173 31.494 -1.321 18219 4913 1 10 . 1 1 54 54 ARG H H 45 7.956 7.956 7.867 0.089 18219 4914 1 10 . 1 1 55 55 VAL N N 46 116.437 116.437 119.869 -3.432 18219 4915 1 10 . 1 1 55 55 VAL HA H 46 4.060 4.060 3.896 0.164 18219 4916 1 10 . 1 1 55 55 VAL C C 46 173.806 173.806 175.762 -1.956 18219 4917 1 10 . 1 1 55 55 VAL CA C 46 62.300 62.300 63.414 -1.114 18219 4918 1 10 . 1 1 55 55 VAL CB C 46 31.521 31.521 32.226 -0.705 18219 4919 1 10 . 1 1 55 55 VAL H H 46 7.489 7.489 8.223 -0.734 18219 4920 1 10 . 1 1 56 56 SER N N 47 117.185 117.185 114.962 2.223 18219 4921 1 10 . 1 1 56 56 SER HA H 47 4.401 4.401 4.022 0.379 18219 4922 1 10 . 1 1 56 56 SER C C 47 172.074 172.074 174.023 -1.949 18219 4923 1 10 . 1 1 56 56 SER CA C 47 58.133 58.133 60.810 -2.677 18219 4924 1 10 . 1 1 56 56 SER CB C 47 63.468 63.468 63.412 0.056 18219 4925 1 10 . 1 1 56 56 SER H H 47 7.728 7.728 7.752 -0.024 18219 4926 1 10 . 1 1 57 57 ASN N N 48 121.049 121.049 124.325 -3.276 18219 4927 1 10 . 1 1 57 57 ASN HA H 48 4.590 4.590 4.714 -0.124 18219 4928 1 10 . 1 1 57 57 ASN CA C 48 53.600 53.600 54.342 -0.742 18219 4929 1 10 . 1 1 57 57 ASN CB C 48 38.641 38.641 38.245 0.396 18219 4930 1 10 . 1 1 57 57 ASN H H 48 8.228 8.228 8.457 -0.229 18219 4931 1 10 . 1 1 58 58 ASP N N 49 120.276 120.276 121.595 -1.319 18219 4932 1 10 . 1 1 58 58 ASP HA H 49 4.530 4.530 4.593 -0.063 18219 4933 1 10 . 1 1 58 58 ASP CA C 49 54.202 54.202 55.301 -1.099 18219 4934 1 10 . 1 1 58 58 ASP CB C 49 40.374 40.374 41.603 -1.229 18219 4935 1 10 . 1 1 58 58 ASP H H 49 8.192 8.192 8.589 -0.398 18219 4936 1 10 . 1 1 59 59 LYS N N 50 120.660 120.660 115.084 5.576 18219 4937 1 10 . 1 1 59 59 LYS HA H 50 4.200 4.200 3.946 0.254 18219 4938 1 10 . 1 1 59 59 LYS C C 50 173.474 173.474 175.146 -1.672 18219 4939 1 10 . 1 1 59 59 LYS CA C 50 56.300 56.300 56.878 -0.578 18219 4940 1 10 . 1 1 59 59 LYS CB C 50 32.034 32.034 30.739 1.295 18219 4941 1 10 . 1 1 59 59 LYS H H 50 8.003 8.003 8.443 -0.440 18219 4942 1 10 . 1 1 60 60 ARG N N 51 121.278 121.278 120.078 1.200 18219 4943 1 10 . 1 1 60 60 ARG HA H 51 4.200 4.200 4.202 -0.002 18219 4944 1 10 . 1 1 60 60 ARG C C 51 173.303 173.303 174.805 -1.502 18219 4945 1 10 . 1 1 60 60 ARG CA C 51 56.283 56.283 57.023 -0.739 18219 4946 1 10 . 1 1 60 60 ARG CB C 51 30.238 30.238 30.780 -0.542 18219 4947 1 10 . 1 1 60 60 ARG H H 51 8.091 8.091 8.188 -0.097 18219 4948 1 10 . 1 1 61 61 ASP N N 52 121.185 121.185 120.248 0.937 18219 4949 1 10 . 1 1 61 61 ASP HA H 52 4.615 4.615 4.660 -0.045 18219 4950 1 10 . 1 1 61 61 ASP C C 52 173.777 173.777 176.261 -2.484 18219 4951 1 10 . 1 1 61 61 ASP CA C 52 53.979 53.979 55.370 -1.391 18219 4952 1 10 . 1 1 61 61 ASP CB C 52 40.245 40.245 41.869 -1.624 18219 4953 1 10 . 1 1 61 61 ASP H H 52 8.261 8.261 8.363 -0.102 18219 4954 1 10 . 1 1 62 62 VAL N N 53 121.902 121.902 118.790 3.112 18219 4955 1 10 . 1 1 62 62 VAL HA H 53 3.950 3.950 4.260 -0.310 18219 4956 1 10 . 1 1 62 62 VAL C C 53 173.279 173.279 176.975 -3.696 18219 4957 1 10 . 1 1 62 62 VAL CA C 53 63.176 63.176 62.920 0.256 18219 4958 1 10 . 1 1 62 62 VAL CB C 53 32.099 32.099 32.313 -0.214 18219 4959 1 10 . 1 1 62 62 VAL H H 53 7.997 7.997 8.338 -0.341 18219 4960 1 10 . 1 1 63 63 LYS N N 54 123.522 123.522 122.343 1.179 18219 4961 1 10 . 1 1 63 63 LYS HA H 54 4.260 4.260 3.985 0.275 18219 4962 1 10 . 1 1 63 63 LYS C C 54 174.481 174.481 178.289 -3.808 18219 4963 1 10 . 1 1 63 63 LYS CA C 54 56.347 56.347 60.145 -3.798 18219 4964 1 10 . 1 1 63 63 LYS CB C 54 32.099 32.099 32.019 0.080 18219 4965 1 10 . 1 1 63 63 LYS H H 54 8.054 8.054 8.003 0.051 18219 4966 1 10 . 1 1 64 64 VAL N N 55 120.647 120.647 119.050 1.597 18219 4967 1 10 . 1 1 64 64 VAL HA H 55 3.947 3.947 3.875 0.072 18219 4968 1 10 . 1 1 64 64 VAL C C 55 174.955 174.955 177.690 -2.735 18219 4969 1 10 . 1 1 64 64 VAL CA C 55 64.600 64.600 65.234 -0.634 18219 4970 1 10 . 1 1 64 64 VAL CB C 55 31.877 31.877 30.964 0.913 18219 4971 1 10 . 1 1 64 64 VAL H H 55 8.225 8.225 7.979 0.246 18219 4972 1 10 . 1 1 65 65 SER N N 56 117.785 117.785 116.354 1.431 18219 4973 1 10 . 1 1 65 65 SER HA H 56 4.390 4.390 4.179 0.211 18219 4974 1 10 . 1 1 65 65 SER C C 56 172.300 172.300 176.724 -4.424 18219 4975 1 10 . 1 1 65 65 SER CA C 56 60.000 60.000 62.396 -2.396 18219 4976 1 10 . 1 1 65 65 SER CB C 56 62.879 62.879 62.917 -0.038 18219 4977 1 10 . 1 1 65 65 SER H H 56 8.260 8.260 7.978 0.282 18219 4978 1 10 . 1 1 66 66 LEU N N 57 123.318 123.318 122.658 0.660 18219 4979 1 10 . 1 1 66 66 LEU HA H 57 4.090 4.090 4.134 -0.044 18219 4980 1 10 . 1 1 66 66 LEU C C 57 175.932 175.932 178.390 -2.458 18219 4981 1 10 . 1 1 66 66 LEU CA C 57 57.502 57.502 58.489 -0.987 18219 4982 1 10 . 1 1 66 66 LEU CB C 57 41.721 41.721 42.118 -0.397 18219 4983 1 10 . 1 1 66 66 LEU H H 57 8.091 8.091 8.202 -0.111 18219 4984 1 10 . 1 1 67 67 PHE N N 58 118.020 118.020 118.001 0.019 18219 4985 1 10 . 1 1 67 67 PHE HA H 58 4.330 4.330 3.932 0.398 18219 4986 1 10 . 1 1 67 67 PHE C C 58 174.912 174.912 177.779 -2.867 18219 4987 1 10 . 1 1 67 67 PHE CA C 58 60.600 60.600 61.824 -1.224 18219 4988 1 10 . 1 1 67 67 PHE CB C 58 38.552 38.552 38.827 -0.275 18219 4989 1 10 . 1 1 67 67 PHE H H 58 8.066 8.066 8.600 -0.534 18219 4990 1 10 . 1 1 68 68 THR N N 59 115.324 115.324 115.958 -0.634 18219 4991 1 10 . 1 1 68 68 THR HA H 59 4.310 4.310 4.162 0.148 18219 4992 1 10 . 1 1 68 68 THR C C 59 173.380 173.380 176.441 -3.061 18219 4993 1 10 . 1 1 68 68 THR CA C 59 66.313 66.313 66.546 -0.233 18219 4994 1 10 . 1 1 68 68 THR CB C 59 67.700 67.700 68.589 -0.889 18219 4995 1 10 . 1 1 68 68 THR H H 59 8.287 8.287 8.221 0.066 18219 4996 1 10 . 1 1 69 69 ALA N N 60 123.621 123.621 124.533 -0.912 18219 4997 1 10 . 1 1 69 69 ALA HA H 60 4.280 4.280 4.083 0.197 18219 4998 1 10 . 1 1 69 69 ALA C C 60 176.978 176.978 180.102 -3.124 18219 4999 1 10 . 1 1 69 69 ALA CA C 60 55.100 55.100 55.191 -0.092 18219 5000 1 10 . 1 1 69 69 ALA CB C 60 17.728 17.728 18.194 -0.466 18219 5001 1 10 . 1 1 69 69 ALA H H 60 7.983 7.983 8.085 -0.102 18219 5002 1 10 . 1 1 70 70 PHE N N 61 118.520 118.520 117.922 0.598 18219 5003 1 10 . 1 1 70 70 PHE HA H 61 4.260 4.260 4.089 0.171 18219 5004 1 10 . 1 1 70 70 PHE C C 61 175.369 175.369 177.591 -2.222 18219 5005 1 10 . 1 1 70 70 PHE CA C 61 60.179 60.179 62.230 -2.051 18219 5006 1 10 . 1 1 70 70 PHE CB C 61 38.706 38.706 38.687 0.020 18219 5007 1 10 . 1 1 70 70 PHE H H 61 8.007 8.007 8.575 -0.568 18219 5008 1 10 . 1 1 71 71 PHE N N 62 122.314 122.314 119.672 2.642 18219 5009 1 10 . 1 1 71 71 PHE HA H 62 4.000 4.000 4.163 -0.163 18219 5010 1 10 . 1 1 71 71 PHE C C 62 174.697 174.697 177.699 -3.002 18219 5011 1 10 . 1 1 71 71 PHE CA C 62 60.517 60.517 61.591 -1.074 18219 5012 1 10 . 1 1 71 71 PHE CB C 62 38.770 38.770 38.712 0.058 18219 5013 1 10 . 1 1 71 71 PHE H H 62 8.546 8.546 8.229 0.317 18219 5014 1 10 . 1 1 72 72 LEU N N 63 119.399 119.399 119.797 -0.398 18219 5015 1 10 . 1 1 72 72 LEU HA H 63 3.870 3.870 3.871 -0.001 18219 5016 1 10 . 1 1 72 72 LEU C C 63 175.774 175.774 179.052 -3.278 18219 5017 1 10 . 1 1 72 72 LEU CA C 63 56.925 56.925 58.697 -1.772 18219 5018 1 10 . 1 1 72 72 LEU CB C 63 41.207 41.207 41.503 -0.296 18219 5019 1 10 . 1 1 72 72 LEU H H 63 8.396 8.396 8.597 -0.201 18219 5020 1 10 . 1 1 73 73 ALA N N 64 120.221 120.221 121.185 -0.964 18219 5021 1 10 . 1 1 73 73 ALA HA H 64 3.960 3.960 3.919 0.041 18219 5022 1 10 . 1 1 73 73 ALA C C 64 177.267 177.267 179.352 -2.085 18219 5023 1 10 . 1 1 73 73 ALA CA C 64 54.600 54.600 55.548 -0.948 18219 5024 1 10 . 1 1 73 73 ALA CB C 64 17.784 17.784 17.773 0.011 18219 5025 1 10 . 1 1 73 73 ALA H H 64 8.025 8.025 8.085 -0.060 18219 5026 1 10 . 1 1 74 74 THR N N 65 113.648 113.648 115.705 -2.057 18219 5027 1 10 . 1 1 74 74 THR HA H 65 3.980 3.980 3.899 0.081 18219 5028 1 10 . 1 1 74 74 THR CA C 65 66.291 66.291 67.097 -0.806 18219 5029 1 10 . 1 1 74 74 THR CB C 65 67.914 67.914 68.560 -0.646 18219 5030 1 10 . 1 1 74 74 THR H H 65 7.717 7.717 7.787 -0.070 18219 5031 1 10 . 1 1 75 75 ILE N N 66 120.291 120.291 120.338 -0.047 18219 5032 1 10 . 1 1 75 75 ILE HA H 66 3.740 3.740 3.628 0.112 18219 5033 1 10 . 1 1 75 75 ILE C C 66 174.951 174.951 178.162 -3.211 18219 5034 1 10 . 1 1 75 75 ILE CA C 66 64.880 64.880 64.751 0.128 18219 5035 1 10 . 1 1 75 75 ILE CB C 66 37.166 37.166 37.978 -0.812 18219 5036 1 10 . 1 1 75 75 ILE H H 66 7.738 7.738 8.351 -0.613 18219 5037 1 10 . 1 1 76 76 MET N N 67 117.618 117.618 116.725 0.893 18219 5038 1 10 . 1 1 76 76 MET HA H 67 4.220 4.220 4.181 0.039 18219 5039 1 10 . 1 1 76 76 MET C C 67 175.142 175.142 178.293 -3.151 18219 5040 1 10 . 1 1 76 76 MET CA C 67 56.723 56.723 57.572 -0.849 18219 5041 1 10 . 1 1 76 76 MET CB C 67 31.951 31.951 33.026 -1.075 18219 5042 1 10 . 1 1 76 76 MET H H 67 7.823 7.823 8.278 -0.455 18219 5043 1 10 . 1 1 77 77 GLY N N 68 107.110 107.110 106.042 1.068 18219 5044 1 10 . 1 1 77 77 GLY C C 68 172.260 172.260 175.295 -3.035 18219 5045 1 10 . 1 1 77 77 GLY CA C 68 45.800 45.800 45.880 -0.080 18219 5046 1 10 . 1 1 77 77 GLY H H 68 7.937 7.937 8.282 -0.345 18219 5047 1 10 . 1 1 78 78 VAL N N 69 120.431 120.431 117.573 2.858 18219 5048 1 10 . 1 1 78 78 VAL HA H 69 4.220 4.220 3.757 0.463 18219 5049 1 10 . 1 1 78 78 VAL CA C 69 63.900 63.900 65.069 -1.169 18219 5050 1 10 . 1 1 78 78 VAL CB C 69 31.506 31.506 31.320 0.186 18219 5051 1 10 . 1 1 78 78 VAL H H 69 7.697 7.697 8.324 -0.627 18219 5052 1 10 . 1 1 79 79 ARG N N 70 121.420 121.420 117.447 3.973 18219 5053 1 10 . 1 1 79 79 ARG HA H 70 3.810 3.810 4.344 -0.534 18219 5054 1 10 . 1 1 79 79 ARG CA C 70 56.400 56.400 57.584 -1.184 18219 5055 1 10 . 1 1 79 79 ARG CB C 70 30.097 30.097 30.542 -0.445 18219 5056 1 10 . 1 1 79 79 ARG H H 70 7.889 7.889 8.066 -0.177 18219 5057 1 10 . 1 1 80 80 PHE N N 71 119.949 119.949 117.462 2.487 18219 5058 1 10 . 1 1 80 80 PHE HA H 71 4.510 4.510 4.542 -0.032 18219 5059 1 10 . 1 1 80 80 PHE CA C 71 58.600 58.600 58.573 0.027 18219 5060 1 10 . 1 1 80 80 PHE CB C 71 39.145 39.145 40.585 -1.440 18219 5061 1 10 . 1 1 80 80 PHE H H 71 8.101 8.101 8.113 -0.012 18219 5062 1 10 . 1 1 81 81 LYS N N 72 122.193 122.193 120.425 1.768 18219 5063 1 10 . 1 1 81 81 LYS CA C 72 56.800 56.800 57.088 -0.288 18219 5064 1 10 . 1 1 81 81 LYS CB C 72 32.322 32.322 31.678 0.643 18219 5065 1 10 . 1 1 81 81 LYS H H 72 8.090 8.090 8.374 -0.284 18219 5066 1 10 . 1 1 82 82 ARG N N 73 119.650 119.650 119.842 -0.192 18219 5067 1 10 . 1 1 82 82 ARG CA C 73 56.089 56.089 56.520 -0.431 18219 5068 1 10 . 1 1 82 82 ARG CB C 73 30.171 30.171 32.068 -1.897 18219 5069 1 10 . 1 1 82 82 ARG H H 73 8.052 8.052 8.161 -0.109 18219 5070 1 10 . 1 1 83 83 SER N N 74 115.734 115.734 114.157 1.577 18219 5071 1 10 . 1 1 83 83 SER CA C 74 58.355 58.355 57.895 0.460 18219 5072 1 10 . 1 1 83 83 SER CB C 74 63.404 63.404 64.596 -1.192 18219 5073 1 10 . 1 1 83 83 SER H H 74 7.912 7.912 7.777 0.135 18219 5074 1 10 . 1 1 84 84 LYS N N 75 122.370 122.370 121.613 0.757 18219 5075 1 10 . 1 1 84 84 LYS CA C 75 56.135 56.135 56.705 -0.570 18219 5076 1 10 . 1 1 84 84 LYS CB C 75 32.175 32.175 31.808 0.367 18219 5077 1 10 . 1 1 84 84 LYS H H 75 8.067 8.067 8.688 -0.621 18219 5078 1 10 . 1 1 86 86 ILE N N 77 119.592 119.592 121.094 -1.502 18219 5079 1 10 . 1 1 86 86 ILE HA H 77 3.810 3.810 3.791 0.019 18219 5080 1 10 . 1 1 86 86 ILE CA C 77 64.900 64.900 63.356 1.544 18219 5081 1 10 . 1 1 86 86 ILE CB C 77 39.145 39.145 38.611 0.534 18219 5082 1 10 . 1 1 86 86 ILE H H 77 7.837 7.837 8.628 -0.791 18219 5083 1 10 . 1 1 87 87 MET N N 78 121.645 121.645 118.947 2.698 18219 5084 1 10 . 1 1 87 87 MET CA C 78 52.982 52.982 60.196 -7.214 18219 5085 1 10 . 1 1 87 87 MET CB C 78 32.173 32.173 30.939 1.234 18219 5086 1 10 . 1 1 87 87 MET H H 78 7.950 7.950 8.107 -0.157 18219 5087 1 10 . 1 1 88 88 PRO HA H 79 4.140 4.140 4.556 -0.416 18219 5088 1 10 . 1 1 88 88 PRO C C 79 173.921 173.921 175.865 -1.944 18219 5089 1 10 . 1 1 88 88 PRO CA C 79 62.800 62.800 62.383 0.417 18219 5090 1 10 . 1 1 88 88 PRO CB C 79 31.136 31.136 29.317 1.819 18219 5091 1 10 . 1 1 89 89 ALA N N 80 124.431 124.431 123.556 0.875 18219 5092 1 10 . 1 1 89 89 ALA HA H 80 4.400 4.400 4.194 0.206 18219 5093 1 10 . 1 1 89 89 ALA C C 80 176.234 176.234 178.959 -2.725 18219 5094 1 10 . 1 1 89 89 ALA CA C 80 53.300 53.300 55.106 -1.806 18219 5095 1 10 . 1 1 89 89 ALA CB C 80 18.498 18.498 19.077 -0.579 18219 5096 1 10 . 1 1 89 89 ALA H H 80 8.320 8.320 8.326 -0.006 18219 5097 1 10 . 1 1 90 90 GLY N N 81 106.834 106.834 106.142 0.692 18219 5098 1 10 . 1 1 90 90 GLY C C 81 172.398 172.398 175.492 -3.094 18219 5099 1 10 . 1 1 90 90 GLY CA C 81 45.600 45.600 46.940 -1.339 18219 5100 1 10 . 1 1 90 90 GLY H H 81 8.458 8.458 8.668 -0.210 18219 5101 1 10 . 1 1 91 91 LEU N N 82 121.043 121.043 121.282 -0.239 18219 5102 1 10 . 1 1 91 91 LEU HA H 82 4.200 4.200 3.950 0.250 18219 5103 1 10 . 1 1 91 91 LEU C C 82 174.783 174.783 178.712 -3.929 18219 5104 1 10 . 1 1 91 91 LEU CA C 82 56.300 56.300 58.194 -1.894 18219 5105 1 10 . 1 1 91 91 LEU CB C 82 42.106 42.106 42.212 -0.106 18219 5106 1 10 . 1 1 91 91 LEU H H 82 7.687 7.687 7.417 0.270 18219 5107 1 10 . 1 1 92 92 VAL N N 83 114.737 114.737 118.541 -3.804 18219 5108 1 10 . 1 1 92 92 VAL HA H 83 3.980 3.980 3.593 0.387 18219 5109 1 10 . 1 1 92 92 VAL C C 83 173.634 173.634 177.903 -4.269 18219 5110 1 10 . 1 1 92 92 VAL CA C 83 62.400 62.400 67.373 -4.973 18219 5111 1 10 . 1 1 92 92 VAL CB C 83 31.585 31.585 31.444 0.141 18219 5112 1 10 . 1 1 92 92 VAL H H 83 7.602 7.602 7.481 0.121 18219 5113 1 10 . 1 1 93 93 ALA N N 84 124.320 124.320 120.974 3.346 18219 5114 1 10 . 1 1 93 93 ALA HA H 84 4.150 4.150 3.991 0.159 18219 5115 1 10 . 1 1 93 93 ALA C C 84 175.746 175.746 179.813 -4.067 18219 5116 1 10 . 1 1 93 93 ALA CA C 84 53.300 53.300 55.369 -2.069 18219 5117 1 10 . 1 1 93 93 ALA CB C 84 18.241 18.241 17.796 0.445 18219 5118 1 10 . 1 1 93 93 ALA H H 84 7.891 7.891 8.256 -0.365 18219 5119 1 10 . 1 1 94 94 GLY N N 85 106.807 106.807 107.381 -0.574 18219 5120 1 10 . 1 1 94 94 GLY C C 85 171.752 171.752 175.923 -4.171 18219 5121 1 10 . 1 1 94 94 GLY CA C 85 45.249 45.249 46.667 -1.419 18219 5122 1 10 . 1 1 94 94 GLY H H 85 8.204 8.204 7.859 0.345 18219 5123 1 10 . 1 1 95 95 LEU N N 86 121.266 121.266 121.956 -0.690 18219 5124 1 10 . 1 1 95 95 LEU HA H 86 4.380 4.380 4.086 0.294 18219 5125 1 10 . 1 1 95 95 LEU C C 86 173.702 173.702 178.810 -5.108 18219 5126 1 10 . 1 1 95 95 LEU CA C 86 55.000 55.000 57.582 -2.582 18219 5127 1 10 . 1 1 95 95 LEU CB C 86 42.298 42.298 41.026 1.272 18219 5128 1 10 . 1 1 95 95 LEU H H 86 7.718 7.718 7.990 -0.272 18219 5129 1 10 . 1 1 96 96 SER N N 87 115.658 115.658 115.418 0.240 18219 5130 1 10 . 1 1 96 96 SER HA H 87 4.370 4.370 4.131 0.239 18219 5131 1 10 . 1 1 96 96 SER C C 87 172.479 172.479 176.904 -4.425 18219 5132 1 10 . 1 1 96 96 SER CA C 87 57.200 57.200 62.254 -5.054 18219 5133 1 10 . 1 1 96 96 SER CB C 87 64.174 64.174 63.199 0.976 18219 5134 1 10 . 1 1 96 96 SER H H 87 7.659 7.659 8.165 -0.506 18219 5135 1 10 . 1 1 97 97 LEU N N 88 123.720 123.720 122.578 1.142 18219 5136 1 10 . 1 1 97 97 LEU HA H 88 4.600 4.600 3.962 0.638 18219 5137 1 10 . 1 1 97 97 LEU C C 88 175.932 175.932 178.993 -3.061 18219 5138 1 10 . 1 1 97 97 LEU CA C 88 57.600 57.600 57.825 -0.225 18219 5139 1 10 . 1 1 97 97 LEU CB C 88 41.400 41.400 41.992 -0.592 18219 5140 1 10 . 1 1 97 97 LEU H H 88 8.733 8.733 8.209 0.524 18219 5141 1 10 . 1 1 98 98 MET N N 89 116.684 116.684 120.042 -3.358 18219 5142 1 10 . 1 1 98 98 MET HA H 89 4.280 4.280 4.037 0.243 18219 5143 1 10 . 1 1 98 98 MET C C 89 175.789 175.789 177.952 -2.163 18219 5144 1 10 . 1 1 98 98 MET CA C 89 56.915 56.915 59.196 -2.281 18219 5145 1 10 . 1 1 98 98 MET CB C 89 31.007 31.007 32.846 -1.839 18219 5146 1 10 . 1 1 98 98 MET H H 89 8.342 8.342 8.265 0.077 18219 5147 1 10 . 1 1 99 99 MET N N 90 119.182 119.182 117.292 1.890 18219 5148 1 10 . 1 1 99 99 MET HA H 90 4.110 4.110 4.171 -0.061 18219 5149 1 10 . 1 1 99 99 MET C C 90 175.588 175.588 178.798 -3.210 18219 5150 1 10 . 1 1 99 99 MET CA C 90 57.951 57.951 58.678 -0.727 18219 5151 1 10 . 1 1 99 99 MET CB C 90 32.226 32.226 32.116 0.110 18219 5152 1 10 . 1 1 99 99 MET H H 90 7.720 7.720 8.219 -0.499 18219 5153 1 10 . 1 1 100 100 ILE N N 91 119.077 119.077 120.234 -1.157 18219 5154 1 10 . 1 1 100 100 ILE HA H 91 4.110 4.110 3.967 0.143 18219 5155 1 10 . 1 1 100 100 ILE C C 91 174.634 174.634 178.107 -3.473 18219 5156 1 10 . 1 1 100 100 ILE CA C 91 64.100 64.100 63.643 0.457 18219 5157 1 10 . 1 1 100 100 ILE CB C 91 37.143 37.143 37.250 -0.107 18219 5158 1 10 . 1 1 100 100 ILE H H 91 7.662 7.662 8.299 -0.637 18219 5159 1 10 . 1 1 101 101 LEU N N 92 119.646 119.646 118.678 0.968 18219 5160 1 10 . 1 1 101 101 LEU HA H 92 4.530 4.530 4.292 0.238 18219 5161 1 10 . 1 1 101 101 LEU C C 92 175.430 175.430 178.467 -3.037 18219 5162 1 10 . 1 1 101 101 LEU CA C 92 57.800 57.800 57.329 0.471 18219 5163 1 10 . 1 1 101 101 LEU CB C 92 40.758 40.758 41.535 -0.777 18219 5164 1 10 . 1 1 101 101 LEU H H 92 8.142 8.142 7.860 0.282 18219 5165 1 10 . 1 1 102 102 ARG N N 93 116.394 116.394 120.063 -3.669 18219 5166 1 10 . 1 1 102 102 ARG HA H 93 4.140 4.140 4.250 -0.110 18219 5167 1 10 . 1 1 102 102 ARG C C 93 175.961 175.961 178.372 -2.411 18219 5168 1 10 . 1 1 102 102 ARG CA C 93 59.100 59.100 58.962 0.138 18219 5169 1 10 . 1 1 102 102 ARG CB C 93 29.404 29.404 30.576 -1.172 18219 5170 1 10 . 1 1 102 102 ARG H H 93 7.893 7.893 8.259 -0.366 18219 5171 1 10 . 1 1 103 103 LEU N N 94 119.114 119.114 120.183 -1.069 18219 5172 1 10 . 1 1 103 103 LEU HA H 94 4.110 4.110 4.104 0.006 18219 5173 1 10 . 1 1 103 103 LEU C C 94 175.889 175.889 178.004 -2.115 18219 5174 1 10 . 1 1 103 103 LEU CA C 94 57.300 57.300 57.493 -0.193 18219 5175 1 10 . 1 1 103 103 LEU CB C 94 41.296 41.296 41.943 -0.647 18219 5176 1 10 . 1 1 103 103 LEU H H 94 7.622 7.622 8.001 -0.379 18219 5177 1 10 . 1 1 104 104 VAL N N 95 117.704 117.704 117.686 0.018 18219 5178 1 10 . 1 1 104 104 VAL HA H 95 3.530 3.530 3.795 -0.265 18219 5179 1 10 . 1 1 104 104 VAL C C 95 175.042 175.042 177.755 -2.713 18219 5180 1 10 . 1 1 104 104 VAL CA C 95 66.419 66.419 65.149 1.270 18219 5181 1 10 . 1 1 104 104 VAL CB C 95 31.357 31.357 31.964 -0.607 18219 5182 1 10 . 1 1 104 104 VAL H H 95 8.026 8.026 7.699 0.327 18219 5183 1 10 . 1 1 105 105 LEU N N 96 117.185 117.185 116.598 0.587 18219 5184 1 10 . 1 1 105 105 LEU HA H 96 3.980 3.980 4.167 -0.187 18219 5185 1 10 . 1 1 105 105 LEU C C 96 176.579 176.579 177.665 -1.086 18219 5186 1 10 . 1 1 105 105 LEU CA C 96 56.800 56.800 56.838 -0.038 18219 5187 1 10 . 1 1 105 105 LEU CB C 96 40.951 40.951 42.279 -1.328 18219 5188 1 10 . 1 1 105 105 LEU H H 96 7.893 7.893 7.421 0.472 18219 5189 1 10 . 1 1 106 106 LEU N N 97 118.471 118.471 113.990 4.481 18219 5190 1 10 . 1 1 106 106 LEU HA H 97 4.180 4.180 3.858 0.322 18219 5191 1 10 . 1 1 106 106 LEU C C 97 175.802 175.802 176.365 -0.563 18219 5192 1 10 . 1 1 106 106 LEU CA C 97 56.300 56.300 55.532 0.768 18219 5193 1 10 . 1 1 106 106 LEU CB C 97 41.592 41.592 40.380 1.212 18219 5194 1 10 . 1 1 106 106 LEU H H 97 7.545 7.545 7.453 0.092 18219 5195 1 10 . 1 1 107 107 LEU N N 98 118.162 118.162 111.486 6.676 18219 5196 1 10 . 1 1 107 107 LEU HA H 98 4.230 4.230 3.823 0.407 18219 5197 1 10 . 1 1 107 107 LEU C C 98 174.174 174.174 177.948 -3.774 18219 5198 1 10 . 1 1 107 107 LEU CA C 98 56.283 56.283 55.421 0.862 18219 5199 1 10 . 1 1 107 107 LEU CB C 98 42.362 42.362 39.546 2.816 18219 5200 1 10 . 1 1 107 107 LEU H H 98 7.688 7.688 8.121 -0.433 18219 5201 1 11 . 1 1 11 11 ASP N N 2 120.536 120.536 122.843 -2.307 18219 5202 1 11 . 1 1 11 11 ASP CA C 2 55.918 55.918 53.814 2.104 18219 5203 1 11 . 1 1 11 11 ASP CB C 2 37.959 37.959 42.951 -4.992 18219 5204 1 11 . 1 1 11 11 ASP H H 2 7.863 7.863 8.451 -0.588 18219 5205 1 11 . 1 1 12 12 LEU N N 3 121.414 121.414 124.357 -2.943 18219 5206 1 11 . 1 1 12 12 LEU C C 3 176.162 176.162 178.904 -2.742 18219 5207 1 11 . 1 1 12 12 LEU CA C 3 57.600 57.600 55.423 2.177 18219 5208 1 11 . 1 1 12 12 LEU CB C 3 41.657 41.657 42.340 -0.683 18219 5209 1 11 . 1 1 12 12 LEU H H 3 8.285 8.285 8.639 -0.354 18219 5210 1 11 . 1 1 13 13 ILE N N 4 118.854 118.854 118.247 0.607 18219 5211 1 11 . 1 1 13 13 ILE HA H 4 3.740 3.740 3.773 -0.033 18219 5212 1 11 . 1 1 13 13 ILE C C 4 175.228 175.228 177.814 -2.586 18219 5213 1 11 . 1 1 13 13 ILE CA C 4 64.500 64.500 63.305 1.195 18219 5214 1 11 . 1 1 13 13 ILE CB C 4 37.102 37.102 38.441 -1.339 18219 5215 1 11 . 1 1 13 13 ILE H H 4 8.031 8.031 8.210 -0.179 18219 5216 1 11 . 1 1 14 14 GLY N N 5 107.478 107.478 106.891 0.587 18219 5217 1 11 . 1 1 14 14 GLY C C 5 174.424 174.424 175.633 -1.209 18219 5218 1 11 . 1 1 14 14 GLY CA C 5 47.059 47.059 46.387 0.672 18219 5219 1 11 . 1 1 14 14 GLY H H 5 8.148 8.148 8.496 -0.348 18219 5220 1 11 . 1 1 15 15 PHE N N 6 122.774 122.774 123.773 -0.999 18219 5221 1 11 . 1 1 15 15 PHE HA H 6 4.480 4.480 4.307 0.173 18219 5222 1 11 . 1 1 15 15 PHE C C 6 175.113 175.113 176.990 -1.877 18219 5223 1 11 . 1 1 15 15 PHE CA C 6 60.017 60.017 61.936 -1.919 18219 5224 1 11 . 1 1 15 15 PHE CB C 6 38.774 38.774 38.504 0.270 18219 5225 1 11 . 1 1 15 15 PHE H H 6 8.194 8.194 7.932 0.262 18219 5226 1 11 . 1 1 16 16 GLY N N 7 107.938 107.938 106.292 1.646 18219 5227 1 11 . 1 1 16 16 GLY C C 7 171.838 171.838 175.663 -3.825 18219 5228 1 11 . 1 1 16 16 GLY CA C 7 47.100 47.100 47.326 -0.226 18219 5229 1 11 . 1 1 16 16 GLY H H 7 8.697 8.697 8.666 0.031 18219 5230 1 11 . 1 1 17 17 TYR N N 8 121.785 121.785 123.599 -1.814 18219 5231 1 11 . 1 1 17 17 TYR HA H 8 4.150 4.150 4.141 0.009 18219 5232 1 11 . 1 1 17 17 TYR C C 8 174.180 174.180 177.605 -3.425 18219 5233 1 11 . 1 1 17 17 TYR CA C 8 61.300 61.300 61.422 -0.122 18219 5234 1 11 . 1 1 17 17 TYR CB C 8 37.959 37.959 38.489 -0.530 18219 5235 1 11 . 1 1 17 17 TYR H H 8 8.710 8.710 8.193 0.517 18219 5236 1 11 . 1 1 18 18 ALA N N 9 120.233 120.233 120.617 -0.384 18219 5237 1 11 . 1 1 18 18 ALA HA H 9 3.950 3.950 4.020 -0.070 18219 5238 1 11 . 1 1 18 18 ALA C C 9 178.059 178.059 178.892 -0.833 18219 5239 1 11 . 1 1 18 18 ALA CA C 9 54.872 54.872 54.552 0.320 18219 5240 1 11 . 1 1 18 18 ALA CB C 9 17.562 17.562 18.171 -0.609 18219 5241 1 11 . 1 1 18 18 ALA H H 9 7.843 7.843 8.681 -0.838 18219 5242 1 11 . 1 1 19 19 ALA N N 10 121.797 121.797 122.880 -1.083 18219 5243 1 11 . 1 1 19 19 ALA HA H 10 3.950 3.950 3.988 -0.038 18219 5244 1 11 . 1 1 19 19 ALA C C 10 176.191 176.191 179.459 -3.268 18219 5245 1 11 . 1 1 19 19 ALA CA C 10 54.600 54.600 54.899 -0.299 18219 5246 1 11 . 1 1 19 19 ALA CB C 10 17.562 17.562 18.328 -0.766 18219 5247 1 11 . 1 1 19 19 ALA H H 10 8.212 8.212 8.117 0.095 18219 5248 1 11 . 1 1 20 20 LEU N N 11 119.442 119.442 117.476 1.966 18219 5249 1 11 . 1 1 20 20 LEU HA H 11 3.937 3.937 3.957 -0.020 18219 5250 1 11 . 1 1 20 20 LEU C C 11 176.694 176.694 178.711 -2.017 18219 5251 1 11 . 1 1 20 20 LEU CA C 11 57.800 57.800 57.957 -0.157 18219 5252 1 11 . 1 1 20 20 LEU CB C 11 41.222 41.222 41.100 0.122 18219 5253 1 11 . 1 1 20 20 LEU H H 11 8.065 8.065 8.450 -0.385 18219 5254 1 11 . 1 1 21 21 VAL N N 12 118.323 118.323 120.354 -2.031 18219 5255 1 11 . 1 1 21 21 VAL HA H 12 3.640 3.640 3.485 0.155 18219 5256 1 11 . 1 1 21 21 VAL C C 12 176.536 176.536 178.358 -1.822 18219 5257 1 11 . 1 1 21 21 VAL CA C 12 65.400 65.400 66.794 -1.394 18219 5258 1 11 . 1 1 21 21 VAL CB C 12 31.135 31.135 31.251 -0.116 18219 5259 1 11 . 1 1 21 21 VAL H H 12 8.051 8.051 8.247 -0.196 18219 5260 1 11 . 1 1 22 22 THR N N 13 118.298 118.298 116.313 1.985 18219 5261 1 11 . 1 1 22 22 THR HA H 13 4.660 4.660 4.039 0.621 18219 5262 1 11 . 1 1 22 22 THR C C 13 173.734 173.734 176.613 -2.879 18219 5263 1 11 . 1 1 22 22 THR CA C 13 66.300 66.300 66.245 0.055 18219 5264 1 11 . 1 1 22 22 THR CB C 13 67.775 67.775 68.367 -0.592 18219 5265 1 11 . 1 1 22 22 THR H H 13 7.944 7.944 7.909 0.035 18219 5266 1 11 . 1 1 23 23 PHE N N 14 121.328 121.328 122.657 -1.329 18219 5267 1 11 . 1 1 23 23 PHE HA H 14 4.340 4.340 4.236 0.104 18219 5268 1 11 . 1 1 23 23 PHE C C 14 174.783 174.783 177.229 -2.446 18219 5269 1 11 . 1 1 23 23 PHE CA C 14 60.500 60.500 61.833 -1.333 18219 5270 1 11 . 1 1 23 23 PHE CB C 14 38.626 38.626 38.865 -0.239 18219 5271 1 11 . 1 1 23 23 PHE H H 14 8.567 8.567 8.436 0.131 18219 5272 1 11 . 1 1 24 24 GLY N N 15 106.871 106.871 105.336 1.535 18219 5273 1 11 . 1 1 24 24 GLY C C 15 172.858 172.858 176.795 -3.937 18219 5274 1 11 . 1 1 24 24 GLY CA C 15 46.900 46.900 47.150 -0.250 18219 5275 1 11 . 1 1 24 24 GLY H H 15 8.475 8.475 8.961 -0.486 18219 5276 1 11 . 1 1 25 25 SER N N 16 116.214 116.214 118.002 -1.788 18219 5277 1 11 . 1 1 25 25 SER HA H 16 4.280 4.280 4.251 0.029 18219 5278 1 11 . 1 1 25 25 SER CA C 16 60.300 60.300 61.972 -1.672 18219 5279 1 11 . 1 1 25 25 SER CB C 16 62.879 62.879 63.314 -0.435 18219 5280 1 11 . 1 1 25 25 SER H H 16 7.963 7.963 7.925 0.038 18219 5281 1 11 . 1 1 26 26 ILE N N 17 121.024 121.024 121.778 -0.754 18219 5282 1 11 . 1 1 26 26 ILE HA H 17 3.946 3.946 3.672 0.274 18219 5283 1 11 . 1 1 26 26 ILE C C 17 173.935 173.935 178.286 -4.351 18219 5284 1 11 . 1 1 26 26 ILE CA C 17 63.100 63.100 64.547 -1.447 18219 5285 1 11 . 1 1 26 26 ILE CB C 17 38.107 38.107 38.178 -0.072 18219 5286 1 11 . 1 1 26 26 ILE H H 17 7.676 7.676 7.927 -0.251 18219 5287 1 11 . 1 1 27 27 PHE N N 18 117.142 117.142 119.128 -1.986 18219 5288 1 11 . 1 1 27 27 PHE HA H 18 4.430 4.430 3.951 0.479 18219 5289 1 11 . 1 1 27 27 PHE C C 18 173.504 173.504 176.391 -2.887 18219 5290 1 11 . 1 1 27 27 PHE CA C 18 58.500 58.500 60.537 -2.037 18219 5291 1 11 . 1 1 27 27 PHE CB C 18 38.774 38.774 39.316 -0.542 18219 5292 1 11 . 1 1 27 27 PHE H H 18 7.703 7.703 8.099 -0.396 18219 5293 1 11 . 1 1 28 28 GLY N N 19 107.303 107.303 106.462 0.841 18219 5294 1 11 . 1 1 28 28 GLY C C 19 171.593 171.593 174.399 -2.806 18219 5295 1 11 . 1 1 28 28 GLY CA C 19 45.600 45.600 45.761 -0.161 18219 5296 1 11 . 1 1 28 28 GLY H H 19 7.722 7.722 7.753 -0.031 18219 5297 1 11 . 1 1 29 29 TYR N N 20 119.862 119.862 117.132 2.730 18219 5298 1 11 . 1 1 29 29 TYR HA H 20 4.392 4.392 4.247 0.145 18219 5299 1 11 . 1 1 29 29 TYR C C 20 173.174 173.174 174.966 -1.792 18219 5300 1 11 . 1 1 29 29 TYR CA C 20 58.500 58.500 58.110 0.390 18219 5301 1 11 . 1 1 29 29 TYR CB C 20 38.404 38.404 37.684 0.721 18219 5302 1 11 . 1 1 29 29 TYR H H 20 7.880 7.880 8.443 -0.563 18219 5303 1 11 . 1 1 30 30 LYS N N 21 122.335 122.335 122.166 0.169 18219 5304 1 11 . 1 1 30 30 LYS HA H 21 4.390 4.390 3.911 0.479 18219 5305 1 11 . 1 1 30 30 LYS C C 21 173.547 173.547 176.986 -3.439 18219 5306 1 11 . 1 1 30 30 LYS CA C 21 55.800 55.800 57.002 -1.202 18219 5307 1 11 . 1 1 30 30 LYS CB C 21 32.396 32.396 32.832 -0.436 18219 5308 1 11 . 1 1 30 30 LYS H H 21 7.934 7.934 8.248 -0.314 18219 5309 1 11 . 1 1 31 31 ARG N N 22 120.612 120.612 126.518 -5.906 18219 5310 1 11 . 1 1 31 31 ARG C C 22 173.547 173.547 176.086 -2.539 18219 5311 1 11 . 1 1 31 31 ARG CA C 22 55.834 55.834 55.461 0.374 18219 5312 1 11 . 1 1 31 31 ARG CB C 22 30.101 30.101 29.970 0.131 18219 5313 1 11 . 1 1 31 31 ARG H H 22 7.905 7.905 8.573 -0.668 18219 5314 1 11 . 1 1 32 32 ARG N N 23 121.748 121.748 124.520 -2.772 18219 5315 1 11 . 1 1 32 32 ARG HA H 23 4.310 4.310 4.187 0.123 18219 5316 1 11 . 1 1 32 32 ARG C C 23 173.863 173.863 176.525 -2.662 18219 5317 1 11 . 1 1 32 32 ARG CA C 23 55.800 55.800 56.983 -1.183 18219 5318 1 11 . 1 1 32 32 ARG CB C 23 30.245 30.245 30.756 -0.510 18219 5319 1 11 . 1 1 32 32 ARG H H 23 8.175 8.175 8.260 -0.085 18219 5320 1 11 . 1 1 33 33 GLY N N 24 109.528 109.528 103.732 5.796 18219 5321 1 11 . 1 1 33 33 GLY C C 24 171.752 171.752 173.754 -2.002 18219 5322 1 11 . 1 1 33 33 GLY CA C 24 44.900 44.900 44.824 0.076 18219 5323 1 11 . 1 1 33 33 GLY H H 24 8.264 8.264 7.478 0.786 18219 5324 1 11 . 1 1 34 34 GLY N N 25 108.563 108.563 110.056 -1.493 18219 5325 1 11 . 1 1 34 34 GLY C C 25 171.701 171.701 174.275 -2.574 18219 5326 1 11 . 1 1 34 34 GLY CA C 25 44.600 44.600 45.894 -1.294 18219 5327 1 11 . 1 1 34 34 GLY H H 25 8.208 8.208 7.803 0.405 18219 5328 1 11 . 1 1 35 35 VAL N N 26 121.164 121.164 121.516 -0.352 18219 5329 1 11 . 1 1 35 35 VAL HA H 26 4.010 4.010 4.159 -0.149 18219 5330 1 11 . 1 1 35 35 VAL C C 26 175.888 175.888 174.578 1.310 18219 5331 1 11 . 1 1 35 35 VAL CA C 26 63.900 63.900 63.638 0.262 18219 5332 1 11 . 1 1 35 35 VAL CB C 26 30.690 30.690 31.438 -0.748 18219 5333 1 11 . 1 1 35 35 VAL H H 26 8.485 8.485 8.427 0.058 18219 5334 1 11 . 1 1 36 36 PRO C C 27 177.660 177.660 176.275 1.385 18219 5335 1 11 . 1 1 36 36 PRO CA C 27 61.847 61.847 62.934 -1.087 18219 5336 1 11 . 1 1 37 37 SER N N 28 116.023 116.023 118.278 -2.255 18219 5337 1 11 . 1 1 37 37 SER HA H 28 4.280 4.280 4.340 -0.060 18219 5338 1 11 . 1 1 37 37 SER CA C 28 61.100 61.100 59.951 1.149 18219 5339 1 11 . 1 1 37 37 SER H H 28 7.948 7.948 8.662 -0.714 18219 5340 1 11 . 1 1 38 38 LEU N N 29 124.029 124.029 121.988 2.041 18219 5341 1 11 . 1 1 38 38 LEU HA H 29 4.170 4.170 4.264 -0.094 18219 5342 1 11 . 1 1 38 38 LEU C C 29 176.132 176.132 178.827 -2.695 18219 5343 1 11 . 1 1 38 38 LEU CA C 29 57.500 57.500 58.065 -0.564 18219 5344 1 11 . 1 1 38 38 LEU CB C 29 42.038 42.038 40.929 1.109 18219 5345 1 11 . 1 1 38 38 LEU H H 29 8.201 8.201 7.948 0.253 18219 5346 1 11 . 1 1 39 39 ILE N N 30 117.098 117.098 119.643 -2.545 18219 5347 1 11 . 1 1 39 39 ILE HA H 30 4.370 4.370 3.797 0.573 18219 5348 1 11 . 1 1 39 39 ILE C C 30 176.478 176.478 177.823 -1.345 18219 5349 1 11 . 1 1 39 39 ILE CA C 30 63.079 63.079 63.796 -0.717 18219 5350 1 11 . 1 1 39 39 ILE CB C 30 36.973 36.973 36.898 0.075 18219 5351 1 11 . 1 1 39 39 ILE H H 30 7.662 7.662 8.181 -0.519 18219 5352 1 11 . 1 1 40 40 ALA N N 31 122.447 122.447 121.991 0.456 18219 5353 1 11 . 1 1 40 40 ALA HA H 31 4.034 4.034 4.078 -0.044 18219 5354 1 11 . 1 1 40 40 ALA C C 31 177.067 177.067 179.767 -2.700 18219 5355 1 11 . 1 1 40 40 ALA CA C 31 55.962 55.962 55.342 0.620 18219 5356 1 11 . 1 1 40 40 ALA CB C 31 17.856 17.856 18.124 -0.268 18219 5357 1 11 . 1 1 40 40 ALA H H 31 8.096 8.096 7.668 0.428 18219 5358 1 11 . 1 1 41 41 GLY N N 32 104.056 104.056 107.677 -3.621 18219 5359 1 11 . 1 1 41 41 GLY C C 32 174.251 174.251 175.856 -1.605 18219 5360 1 11 . 1 1 41 41 GLY CA C 32 46.500 46.500 46.818 -0.318 18219 5361 1 11 . 1 1 41 41 GLY H H 32 8.123 8.123 8.215 -0.092 18219 5362 1 11 . 1 1 42 42 LEU N N 33 123.250 123.250 123.303 -0.053 18219 5363 1 11 . 1 1 42 42 LEU HA H 33 3.857 3.857 3.971 -0.114 18219 5364 1 11 . 1 1 42 42 LEU C C 33 176.033 176.033 178.529 -2.496 18219 5365 1 11 . 1 1 42 42 LEU CA C 33 56.668 56.668 58.184 -1.516 18219 5366 1 11 . 1 1 42 42 LEU CB C 33 41.721 41.721 42.036 -0.315 18219 5367 1 11 . 1 1 42 42 LEU H H 33 7.914 7.914 8.161 -0.247 18219 5368 1 11 . 1 1 43 43 PHE N N 34 119.757 119.757 118.951 0.806 18219 5369 1 11 . 1 1 43 43 PHE HA H 34 4.200 4.200 4.032 0.168 18219 5370 1 11 . 1 1 43 43 PHE C C 34 174.374 174.374 177.485 -3.111 18219 5371 1 11 . 1 1 43 43 PHE CA C 34 59.876 59.876 62.326 -2.450 18219 5372 1 11 . 1 1 43 43 PHE CB C 34 38.834 38.834 39.056 -0.222 18219 5373 1 11 . 1 1 43 43 PHE H H 34 8.287 8.287 8.275 0.012 18219 5374 1 11 . 1 1 44 44 VAL N N 35 117.791 117.791 118.511 -0.720 18219 5375 1 11 . 1 1 44 44 VAL HA H 35 3.610 3.610 3.624 -0.014 18219 5376 1 11 . 1 1 44 44 VAL C C 35 176.205 176.205 178.254 -2.049 18219 5377 1 11 . 1 1 44 44 VAL CA C 35 64.559 64.559 66.852 -2.293 18219 5378 1 11 . 1 1 44 44 VAL CB C 35 31.432 31.432 31.573 -0.141 18219 5379 1 11 . 1 1 44 44 VAL H H 35 8.235 8.235 8.451 -0.216 18219 5380 1 11 . 1 1 45 45 GLY N N 36 108.551 108.551 105.744 2.807 18219 5381 1 11 . 1 1 45 45 GLY C C 36 173.749 173.749 175.626 -1.877 18219 5382 1 11 . 1 1 45 45 GLY CA C 36 46.083 46.083 47.059 -0.976 18219 5383 1 11 . 1 1 45 45 GLY H H 36 8.178 8.178 8.502 -0.324 18219 5384 1 11 . 1 1 46 46 CYS N N 37 121.173 121.173 122.441 -1.268 18219 5385 1 11 . 1 1 46 46 CYS HA H 37 4.180 4.180 4.186 -0.006 18219 5386 1 11 . 1 1 46 46 CYS C C 37 173.710 173.710 176.532 -2.822 18219 5387 1 11 . 1 1 46 46 CYS CA C 37 63.000 63.000 63.318 -0.318 18219 5388 1 11 . 1 1 46 46 CYS CB C 37 60.283 60.283 27.519 32.764 18219 5389 1 11 . 1 1 46 46 CYS H H 37 8.253 8.253 7.667 0.586 18219 5390 1 11 . 1 1 47 47 LEU N N 38 120.283 120.283 120.837 -0.554 18219 5391 1 11 . 1 1 47 47 LEU HA H 38 4.060 4.060 4.061 -0.001 18219 5392 1 11 . 1 1 47 47 LEU C C 38 176.679 176.679 178.301 -1.622 18219 5393 1 11 . 1 1 47 47 LEU CA C 38 56.027 56.027 58.341 -2.314 18219 5394 1 11 . 1 1 47 47 LEU CB C 38 41.464 41.464 40.927 0.537 18219 5395 1 11 . 1 1 47 47 LEU H H 38 7.965 7.965 8.420 -0.455 18219 5396 1 11 . 1 1 48 48 ALA N N 39 122.249 122.249 121.904 0.345 18219 5397 1 11 . 1 1 48 48 ALA HA H 39 4.142 4.142 3.994 0.148 18219 5398 1 11 . 1 1 48 48 ALA C C 39 177.915 177.915 179.703 -1.788 18219 5399 1 11 . 1 1 48 48 ALA CA C 39 53.717 53.717 55.580 -1.863 18219 5400 1 11 . 1 1 48 48 ALA CB C 39 17.985 17.985 17.829 0.156 18219 5401 1 11 . 1 1 48 48 ALA H H 39 8.066 8.066 8.489 -0.423 18219 5402 1 11 . 1 1 49 49 GLY N N 40 107.377 107.377 107.042 0.335 18219 5403 1 11 . 1 1 49 49 GLY C C 40 172.527 172.527 175.758 -3.231 18219 5404 1 11 . 1 1 49 49 GLY CA C 40 45.450 45.450 46.844 -1.395 18219 5405 1 11 . 1 1 49 49 GLY H H 40 8.172 8.172 8.024 0.148 18219 5406 1 11 . 1 1 50 50 TYR N N 41 122.409 122.409 123.688 -1.279 18219 5407 1 11 . 1 1 50 50 TYR HA H 41 3.799 3.799 3.988 -0.189 18219 5408 1 11 . 1 1 50 50 TYR C C 41 174.208 174.208 177.602 -3.394 18219 5409 1 11 . 1 1 50 50 TYR CA C 41 59.245 59.245 61.228 -1.983 18219 5410 1 11 . 1 1 50 50 TYR CB C 41 37.936 37.936 38.562 -0.626 18219 5411 1 11 . 1 1 50 50 TYR H H 41 7.800 7.800 8.375 -0.575 18219 5412 1 11 . 1 1 51 51 GLY N N 42 106.935 106.935 105.996 0.939 18219 5413 1 11 . 1 1 51 51 GLY C C 42 172.642 172.642 175.506 -2.864 18219 5414 1 11 . 1 1 51 51 GLY CA C 42 46.265 46.265 45.759 0.506 18219 5415 1 11 . 1 1 51 51 GLY H H 42 8.199 8.199 8.156 0.043 18219 5416 1 11 . 1 1 52 52 ALA N N 43 123.018 123.018 126.274 -3.256 18219 5417 1 11 . 1 1 52 52 ALA HA H 43 4.150 4.150 4.076 0.074 18219 5418 1 11 . 1 1 52 52 ALA C C 43 176.398 176.398 179.853 -3.455 18219 5419 1 11 . 1 1 52 52 ALA CA C 43 52.883 52.883 54.536 -1.653 18219 5420 1 11 . 1 1 52 52 ALA CB C 43 18.241 18.241 18.161 0.080 18219 5421 1 11 . 1 1 52 52 ALA H H 43 7.758 7.758 8.387 -0.629 18219 5422 1 11 . 1 1 53 53 TYR N N 44 119.664 119.664 120.190 -0.526 18219 5423 1 11 . 1 1 53 53 TYR HA H 44 4.318 4.318 4.036 0.282 18219 5424 1 11 . 1 1 53 53 TYR C C 44 174.180 174.180 177.550 -3.370 18219 5425 1 11 . 1 1 53 53 TYR CA C 44 58.593 58.593 61.547 -2.954 18219 5426 1 11 . 1 1 53 53 TYR CB C 44 38.192 38.192 38.511 -0.320 18219 5427 1 11 . 1 1 53 53 TYR H H 44 7.920 7.920 8.274 -0.354 18219 5428 1 11 . 1 1 54 54 ARG N N 45 119.516 119.516 114.651 4.865 18219 5429 1 11 . 1 1 54 54 ARG HA H 45 3.930 3.930 4.513 -0.583 18219 5430 1 11 . 1 1 54 54 ARG C C 45 174.423 174.423 176.319 -1.896 18219 5431 1 11 . 1 1 54 54 ARG CA C 45 56.027 56.027 56.092 -0.065 18219 5432 1 11 . 1 1 54 54 ARG CB C 45 30.173 30.173 32.043 -1.870 18219 5433 1 11 . 1 1 54 54 ARG H H 45 7.956 7.956 8.008 -0.052 18219 5434 1 11 . 1 1 55 55 VAL N N 46 116.437 116.437 119.384 -2.947 18219 5435 1 11 . 1 1 55 55 VAL HA H 46 4.060 4.060 4.179 -0.119 18219 5436 1 11 . 1 1 55 55 VAL C C 46 173.806 173.806 174.794 -0.988 18219 5437 1 11 . 1 1 55 55 VAL CA C 46 62.300 62.300 62.361 -0.061 18219 5438 1 11 . 1 1 55 55 VAL CB C 46 31.521 31.521 33.190 -1.669 18219 5439 1 11 . 1 1 55 55 VAL H H 46 7.489 7.489 8.350 -0.861 18219 5440 1 11 . 1 1 56 56 SER N N 47 117.185 117.185 113.762 3.423 18219 5441 1 11 . 1 1 56 56 SER HA H 47 4.401 4.401 4.424 -0.023 18219 5442 1 11 . 1 1 56 56 SER C C 47 172.074 172.074 175.611 -3.537 18219 5443 1 11 . 1 1 56 56 SER CA C 47 58.133 58.133 59.919 -1.786 18219 5444 1 11 . 1 1 56 56 SER CB C 47 63.468 63.468 63.774 -0.306 18219 5445 1 11 . 1 1 56 56 SER H H 47 7.728 7.728 7.766 -0.038 18219 5446 1 11 . 1 1 57 57 ASN N N 48 121.049 121.049 124.793 -3.744 18219 5447 1 11 . 1 1 57 57 ASN HA H 48 4.590 4.590 4.414 0.176 18219 5448 1 11 . 1 1 57 57 ASN CA C 48 53.600 53.600 56.426 -2.826 18219 5449 1 11 . 1 1 57 57 ASN CB C 48 38.641 38.641 37.060 1.581 18219 5450 1 11 . 1 1 57 57 ASN H H 48 8.228 8.228 9.466 -1.238 18219 5451 1 11 . 1 1 58 58 ASP N N 49 120.276 120.276 122.405 -2.129 18219 5452 1 11 . 1 1 58 58 ASP HA H 49 4.530 4.530 4.552 -0.022 18219 5453 1 11 . 1 1 58 58 ASP CA C 49 54.202 54.202 55.409 -1.207 18219 5454 1 11 . 1 1 58 58 ASP CB C 49 40.374 40.374 41.753 -1.379 18219 5455 1 11 . 1 1 58 58 ASP H H 49 8.192 8.192 8.446 -0.254 18219 5456 1 11 . 1 1 59 59 LYS N N 50 120.660 120.660 116.271 4.389 18219 5457 1 11 . 1 1 59 59 LYS HA H 50 4.200 4.200 4.512 -0.312 18219 5458 1 11 . 1 1 59 59 LYS C C 50 173.474 173.474 174.495 -1.021 18219 5459 1 11 . 1 1 59 59 LYS CA C 50 56.300 56.300 54.797 1.503 18219 5460 1 11 . 1 1 59 59 LYS CB C 50 32.034 32.034 35.984 -3.950 18219 5461 1 11 . 1 1 59 59 LYS H H 50 8.003 8.003 7.598 0.405 18219 5462 1 11 . 1 1 60 60 ARG N N 51 121.278 121.278 118.674 2.604 18219 5463 1 11 . 1 1 60 60 ARG HA H 51 4.200 4.200 4.062 0.138 18219 5464 1 11 . 1 1 60 60 ARG C C 51 173.303 173.303 175.234 -1.931 18219 5465 1 11 . 1 1 60 60 ARG CA C 51 56.283 56.283 58.010 -1.727 18219 5466 1 11 . 1 1 60 60 ARG CB C 51 30.238 30.238 30.542 -0.304 18219 5467 1 11 . 1 1 60 60 ARG H H 51 8.091 8.091 8.468 -0.377 18219 5468 1 11 . 1 1 61 61 ASP N N 52 121.185 121.185 117.261 3.924 18219 5469 1 11 . 1 1 61 61 ASP HA H 52 4.615 4.615 4.722 -0.107 18219 5470 1 11 . 1 1 61 61 ASP C C 52 173.777 173.777 177.309 -3.532 18219 5471 1 11 . 1 1 61 61 ASP CA C 52 53.979 53.979 55.851 -1.872 18219 5472 1 11 . 1 1 61 61 ASP CB C 52 40.245 40.245 42.012 -1.767 18219 5473 1 11 . 1 1 61 61 ASP H H 52 8.261 8.261 8.569 -0.308 18219 5474 1 11 . 1 1 62 62 VAL N N 53 121.902 121.902 120.024 1.878 18219 5475 1 11 . 1 1 62 62 VAL HA H 53 3.950 3.950 3.978 -0.028 18219 5476 1 11 . 1 1 62 62 VAL C C 53 173.279 173.279 177.273 -3.994 18219 5477 1 11 . 1 1 62 62 VAL CA C 53 63.176 63.176 65.515 -2.339 18219 5478 1 11 . 1 1 62 62 VAL CB C 53 32.099 32.099 32.291 -0.192 18219 5479 1 11 . 1 1 62 62 VAL H H 53 7.997 7.997 8.231 -0.234 18219 5480 1 11 . 1 1 63 63 LYS N N 54 123.522 123.522 120.771 2.751 18219 5481 1 11 . 1 1 63 63 LYS HA H 54 4.260 4.260 4.184 0.076 18219 5482 1 11 . 1 1 63 63 LYS C C 54 174.481 174.481 178.796 -4.315 18219 5483 1 11 . 1 1 63 63 LYS CA C 54 56.347 56.347 59.502 -3.155 18219 5484 1 11 . 1 1 63 63 LYS CB C 54 32.099 32.099 31.546 0.553 18219 5485 1 11 . 1 1 63 63 LYS H H 54 8.054 8.054 8.307 -0.253 18219 5486 1 11 . 1 1 64 64 VAL N N 55 120.647 120.647 118.094 2.553 18219 5487 1 11 . 1 1 64 64 VAL HA H 55 3.947 3.947 3.954 -0.007 18219 5488 1 11 . 1 1 64 64 VAL C C 55 174.955 174.955 177.774 -2.819 18219 5489 1 11 . 1 1 64 64 VAL CA C 55 64.600 64.600 64.959 -0.359 18219 5490 1 11 . 1 1 64 64 VAL CB C 55 31.877 31.877 31.102 0.774 18219 5491 1 11 . 1 1 64 64 VAL H H 55 8.225 8.225 8.122 0.103 18219 5492 1 11 . 1 1 65 65 SER N N 56 117.785 117.785 116.606 1.179 18219 5493 1 11 . 1 1 65 65 SER HA H 56 4.390 4.390 4.264 0.126 18219 5494 1 11 . 1 1 65 65 SER C C 56 172.300 172.300 176.781 -4.481 18219 5495 1 11 . 1 1 65 65 SER CA C 56 60.000 60.000 62.030 -2.030 18219 5496 1 11 . 1 1 65 65 SER CB C 56 62.879 62.879 62.908 -0.029 18219 5497 1 11 . 1 1 65 65 SER H H 56 8.260 8.260 7.557 0.703 18219 5498 1 11 . 1 1 66 66 LEU N N 57 123.318 123.318 122.544 0.774 18219 5499 1 11 . 1 1 66 66 LEU HA H 57 4.090 4.090 4.137 -0.047 18219 5500 1 11 . 1 1 66 66 LEU C C 57 175.932 175.932 178.543 -2.611 18219 5501 1 11 . 1 1 66 66 LEU CA C 57 57.502 57.502 58.504 -1.002 18219 5502 1 11 . 1 1 66 66 LEU CB C 57 41.721 41.721 42.117 -0.397 18219 5503 1 11 . 1 1 66 66 LEU H H 57 8.091 8.091 8.168 -0.077 18219 5504 1 11 . 1 1 67 67 PHE N N 58 118.020 118.020 117.825 0.195 18219 5505 1 11 . 1 1 67 67 PHE HA H 58 4.330 4.330 4.068 0.262 18219 5506 1 11 . 1 1 67 67 PHE C C 58 174.912 174.912 178.479 -3.567 18219 5507 1 11 . 1 1 67 67 PHE CA C 58 60.600 60.600 62.318 -1.718 18219 5508 1 11 . 1 1 67 67 PHE CB C 58 38.552 38.552 38.373 0.179 18219 5509 1 11 . 1 1 67 67 PHE H H 58 8.066 8.066 8.922 -0.856 18219 5510 1 11 . 1 1 68 68 THR N N 59 115.324 115.324 116.095 -0.771 18219 5511 1 11 . 1 1 68 68 THR HA H 59 4.310 4.310 4.130 0.180 18219 5512 1 11 . 1 1 68 68 THR C C 59 173.380 173.380 176.316 -2.936 18219 5513 1 11 . 1 1 68 68 THR CA C 59 66.313 66.313 67.353 -1.040 18219 5514 1 11 . 1 1 68 68 THR CB C 59 67.700 67.700 68.930 -1.230 18219 5515 1 11 . 1 1 68 68 THR H H 59 8.287 8.287 8.554 -0.267 18219 5516 1 11 . 1 1 69 69 ALA N N 60 123.621 123.621 125.022 -1.401 18219 5517 1 11 . 1 1 69 69 ALA HA H 60 4.280 4.280 4.006 0.274 18219 5518 1 11 . 1 1 69 69 ALA C C 60 176.978 176.978 179.336 -2.358 18219 5519 1 11 . 1 1 69 69 ALA CA C 60 55.100 55.100 55.428 -0.328 18219 5520 1 11 . 1 1 69 69 ALA CB C 60 17.728 17.728 18.358 -0.630 18219 5521 1 11 . 1 1 69 69 ALA H H 60 7.983 7.983 8.418 -0.435 18219 5522 1 11 . 1 1 70 70 PHE N N 61 118.520 118.520 118.341 0.179 18219 5523 1 11 . 1 1 70 70 PHE HA H 61 4.260 4.260 4.141 0.119 18219 5524 1 11 . 1 1 70 70 PHE C C 61 175.369 175.369 177.539 -2.170 18219 5525 1 11 . 1 1 70 70 PHE CA C 61 60.179 60.179 62.235 -2.056 18219 5526 1 11 . 1 1 70 70 PHE CB C 61 38.706 38.706 39.241 -0.535 18219 5527 1 11 . 1 1 70 70 PHE H H 61 8.007 8.007 8.921 -0.914 18219 5528 1 11 . 1 1 71 71 PHE N N 62 122.314 122.314 120.145 2.169 18219 5529 1 11 . 1 1 71 71 PHE HA H 62 4.000 4.000 4.277 -0.277 18219 5530 1 11 . 1 1 71 71 PHE C C 62 174.697 174.697 177.480 -2.783 18219 5531 1 11 . 1 1 71 71 PHE CA C 62 60.517 60.517 62.394 -1.877 18219 5532 1 11 . 1 1 71 71 PHE CB C 62 38.770 38.770 38.842 -0.072 18219 5533 1 11 . 1 1 71 71 PHE H H 62 8.546 8.546 8.244 0.302 18219 5534 1 11 . 1 1 72 72 LEU N N 63 119.399 119.399 120.404 -1.005 18219 5535 1 11 . 1 1 72 72 LEU HA H 63 3.870 3.870 3.958 -0.088 18219 5536 1 11 . 1 1 72 72 LEU C C 63 175.774 175.774 178.787 -3.013 18219 5537 1 11 . 1 1 72 72 LEU CA C 63 56.925 56.925 58.790 -1.865 18219 5538 1 11 . 1 1 72 72 LEU CB C 63 41.207 41.207 41.525 -0.318 18219 5539 1 11 . 1 1 72 72 LEU H H 63 8.396 8.396 8.893 -0.497 18219 5540 1 11 . 1 1 73 73 ALA N N 64 120.221 120.221 120.893 -0.672 18219 5541 1 11 . 1 1 73 73 ALA HA H 64 3.960 3.960 3.950 0.010 18219 5542 1 11 . 1 1 73 73 ALA C C 64 177.267 177.267 179.613 -2.346 18219 5543 1 11 . 1 1 73 73 ALA CA C 64 54.600 54.600 55.254 -0.654 18219 5544 1 11 . 1 1 73 73 ALA CB C 64 17.784 17.784 17.905 -0.121 18219 5545 1 11 . 1 1 73 73 ALA H H 64 8.025 8.025 8.109 -0.084 18219 5546 1 11 . 1 1 74 74 THR N N 65 113.648 113.648 115.842 -2.194 18219 5547 1 11 . 1 1 74 74 THR HA H 65 3.980 3.980 3.940 0.040 18219 5548 1 11 . 1 1 74 74 THR CA C 65 66.291 66.291 66.588 -0.297 18219 5549 1 11 . 1 1 74 74 THR CB C 65 67.914 67.914 68.644 -0.730 18219 5550 1 11 . 1 1 74 74 THR H H 65 7.717 7.717 7.677 0.040 18219 5551 1 11 . 1 1 75 75 ILE N N 66 120.291 120.291 121.310 -1.019 18219 5552 1 11 . 1 1 75 75 ILE HA H 66 3.740 3.740 3.573 0.167 18219 5553 1 11 . 1 1 75 75 ILE C C 66 174.951 174.951 178.280 -3.329 18219 5554 1 11 . 1 1 75 75 ILE CA C 66 64.880 64.880 64.874 0.006 18219 5555 1 11 . 1 1 75 75 ILE CB C 66 37.166 37.166 38.094 -0.928 18219 5556 1 11 . 1 1 75 75 ILE H H 66 7.738 7.738 8.382 -0.644 18219 5557 1 11 . 1 1 76 76 MET N N 67 117.618 117.618 118.136 -0.518 18219 5558 1 11 . 1 1 76 76 MET HA H 67 4.220 4.220 4.030 0.190 18219 5559 1 11 . 1 1 76 76 MET C C 67 175.142 175.142 177.769 -2.627 18219 5560 1 11 . 1 1 76 76 MET CA C 67 56.723 56.723 57.967 -1.244 18219 5561 1 11 . 1 1 76 76 MET CB C 67 31.951 31.951 33.064 -1.113 18219 5562 1 11 . 1 1 76 76 MET H H 67 7.823 7.823 8.405 -0.582 18219 5563 1 11 . 1 1 77 77 GLY N N 68 107.110 107.110 105.112 1.998 18219 5564 1 11 . 1 1 77 77 GLY C C 68 172.260 172.260 175.746 -3.486 18219 5565 1 11 . 1 1 77 77 GLY CA C 68 45.800 45.800 46.241 -0.441 18219 5566 1 11 . 1 1 77 77 GLY H H 68 7.937 7.937 8.282 -0.345 18219 5567 1 11 . 1 1 78 78 VAL N N 69 120.431 120.431 117.464 2.967 18219 5568 1 11 . 1 1 78 78 VAL HA H 69 4.220 4.220 3.660 0.560 18219 5569 1 11 . 1 1 78 78 VAL CA C 69 63.900 63.900 64.940 -1.040 18219 5570 1 11 . 1 1 78 78 VAL CB C 69 31.506 31.506 31.898 -0.392 18219 5571 1 11 . 1 1 78 78 VAL H H 69 7.697 7.697 8.178 -0.481 18219 5572 1 11 . 1 1 79 79 ARG N N 70 121.420 121.420 118.372 3.048 18219 5573 1 11 . 1 1 79 79 ARG HA H 70 3.810 3.810 4.510 -0.700 18219 5574 1 11 . 1 1 79 79 ARG CA C 70 56.400 56.400 55.279 1.121 18219 5575 1 11 . 1 1 79 79 ARG CB C 70 30.097 30.097 30.388 -0.291 18219 5576 1 11 . 1 1 79 79 ARG H H 70 7.889 7.889 7.719 0.170 18219 5577 1 11 . 1 1 80 80 PHE N N 71 119.949 119.949 124.665 -4.716 18219 5578 1 11 . 1 1 80 80 PHE HA H 71 4.510 4.510 4.375 0.135 18219 5579 1 11 . 1 1 80 80 PHE CA C 71 58.600 58.600 59.416 -0.817 18219 5580 1 11 . 1 1 80 80 PHE CB C 71 39.145 39.145 39.797 -0.652 18219 5581 1 11 . 1 1 80 80 PHE H H 71 8.101 8.101 8.555 -0.454 18219 5582 1 11 . 1 1 81 81 LYS N N 72 122.193 122.193 126.004 -3.811 18219 5583 1 11 . 1 1 81 81 LYS CA C 72 56.800 56.800 54.684 2.116 18219 5584 1 11 . 1 1 81 81 LYS CB C 72 32.322 32.322 34.669 -2.347 18219 5585 1 11 . 1 1 81 81 LYS H H 72 8.090 8.090 7.537 0.553 18219 5586 1 11 . 1 1 82 82 ARG N N 73 119.650 119.650 119.587 0.063 18219 5587 1 11 . 1 1 82 82 ARG CA C 73 56.089 56.089 57.364 -1.275 18219 5588 1 11 . 1 1 82 82 ARG CB C 73 30.171 30.171 30.654 -0.483 18219 5589 1 11 . 1 1 82 82 ARG H H 73 8.052 8.052 8.159 -0.107 18219 5590 1 11 . 1 1 83 83 SER N N 74 115.734 115.734 112.030 3.704 18219 5591 1 11 . 1 1 83 83 SER CA C 74 58.355 58.355 58.113 0.242 18219 5592 1 11 . 1 1 83 83 SER CB C 74 63.404 63.404 63.257 0.147 18219 5593 1 11 . 1 1 83 83 SER H H 74 7.912 7.912 7.609 0.303 18219 5594 1 11 . 1 1 84 84 LYS N N 75 122.370 122.370 123.508 -1.138 18219 5595 1 11 . 1 1 84 84 LYS CA C 75 56.135 56.135 56.502 -0.367 18219 5596 1 11 . 1 1 84 84 LYS CB C 75 32.175 32.175 33.144 -0.969 18219 5597 1 11 . 1 1 84 84 LYS H H 75 8.067 8.067 7.878 0.189 18219 5598 1 11 . 1 1 86 86 ILE N N 77 119.592 119.592 116.084 3.508 18219 5599 1 11 . 1 1 86 86 ILE HA H 77 3.810 3.810 4.021 -0.211 18219 5600 1 11 . 1 1 86 86 ILE CA C 77 64.900 64.900 61.882 3.018 18219 5601 1 11 . 1 1 86 86 ILE CB C 77 39.145 39.145 38.382 0.763 18219 5602 1 11 . 1 1 86 86 ILE H H 77 7.837 7.837 8.341 -0.504 18219 5603 1 11 . 1 1 87 87 MET N N 78 121.645 121.645 120.407 1.238 18219 5604 1 11 . 1 1 87 87 MET CA C 78 52.982 52.982 58.414 -5.432 18219 5605 1 11 . 1 1 87 87 MET CB C 78 32.173 32.173 30.831 1.342 18219 5606 1 11 . 1 1 87 87 MET H H 78 7.950 7.950 8.122 -0.172 18219 5607 1 11 . 1 1 88 88 PRO HA H 79 4.140 4.140 4.590 -0.450 18219 5608 1 11 . 1 1 88 88 PRO C C 79 173.921 173.921 176.421 -2.500 18219 5609 1 11 . 1 1 88 88 PRO CA C 79 62.800 62.800 62.275 0.525 18219 5610 1 11 . 1 1 88 88 PRO CB C 79 31.136 31.136 29.208 1.928 18219 5611 1 11 . 1 1 89 89 ALA N N 80 124.431 124.431 125.171 -0.740 18219 5612 1 11 . 1 1 89 89 ALA HA H 80 4.400 4.400 3.990 0.410 18219 5613 1 11 . 1 1 89 89 ALA C C 80 176.234 176.234 179.215 -2.981 18219 5614 1 11 . 1 1 89 89 ALA CA C 80 53.300 53.300 55.859 -2.559 18219 5615 1 11 . 1 1 89 89 ALA CB C 80 18.498 18.498 18.616 -0.118 18219 5616 1 11 . 1 1 89 89 ALA H H 80 8.320 8.320 8.445 -0.125 18219 5617 1 11 . 1 1 90 90 GLY N N 81 106.834 106.834 105.561 1.273 18219 5618 1 11 . 1 1 90 90 GLY C C 81 172.398 172.398 176.214 -3.816 18219 5619 1 11 . 1 1 90 90 GLY CA C 81 45.600 45.600 46.453 -0.853 18219 5620 1 11 . 1 1 90 90 GLY H H 81 8.458 8.458 8.727 -0.269 18219 5621 1 11 . 1 1 91 91 LEU N N 82 121.043 121.043 122.278 -1.235 18219 5622 1 11 . 1 1 91 91 LEU HA H 82 4.200 4.200 3.973 0.227 18219 5623 1 11 . 1 1 91 91 LEU C C 82 174.783 174.783 178.927 -4.144 18219 5624 1 11 . 1 1 91 91 LEU CA C 82 56.300 56.300 57.687 -1.387 18219 5625 1 11 . 1 1 91 91 LEU CB C 82 42.106 42.106 42.241 -0.135 18219 5626 1 11 . 1 1 91 91 LEU H H 82 7.687 7.687 7.619 0.068 18219 5627 1 11 . 1 1 92 92 VAL N N 83 114.737 114.737 118.569 -3.832 18219 5628 1 11 . 1 1 92 92 VAL HA H 83 3.980 3.980 3.591 0.389 18219 5629 1 11 . 1 1 92 92 VAL C C 83 173.634 173.634 177.565 -3.931 18219 5630 1 11 . 1 1 92 92 VAL CA C 83 62.400 62.400 67.097 -4.697 18219 5631 1 11 . 1 1 92 92 VAL CB C 83 31.585 31.585 31.465 0.120 18219 5632 1 11 . 1 1 92 92 VAL H H 83 7.602 7.602 8.540 -0.938 18219 5633 1 11 . 1 1 93 93 ALA N N 84 124.320 124.320 121.286 3.034 18219 5634 1 11 . 1 1 93 93 ALA HA H 84 4.150 4.150 4.002 0.148 18219 5635 1 11 . 1 1 93 93 ALA C C 84 175.746 175.746 179.966 -4.220 18219 5636 1 11 . 1 1 93 93 ALA CA C 84 53.300 53.300 55.350 -2.050 18219 5637 1 11 . 1 1 93 93 ALA CB C 84 18.241 18.241 17.933 0.308 18219 5638 1 11 . 1 1 93 93 ALA H H 84 7.891 7.891 8.122 -0.231 18219 5639 1 11 . 1 1 94 94 GLY N N 85 106.807 106.807 107.162 -0.355 18219 5640 1 11 . 1 1 94 94 GLY C C 85 171.752 171.752 175.772 -4.020 18219 5641 1 11 . 1 1 94 94 GLY CA C 85 45.249 45.249 46.555 -1.306 18219 5642 1 11 . 1 1 94 94 GLY H H 85 8.204 8.204 8.129 0.075 18219 5643 1 11 . 1 1 95 95 LEU N N 86 121.266 121.266 123.038 -1.772 18219 5644 1 11 . 1 1 95 95 LEU HA H 86 4.380 4.380 4.193 0.187 18219 5645 1 11 . 1 1 95 95 LEU C C 86 173.702 173.702 179.009 -5.307 18219 5646 1 11 . 1 1 95 95 LEU CA C 86 55.000 55.000 57.502 -2.502 18219 5647 1 11 . 1 1 95 95 LEU CB C 86 42.298 42.298 41.400 0.898 18219 5648 1 11 . 1 1 95 95 LEU H H 86 7.718 7.718 7.999 -0.281 18219 5649 1 11 . 1 1 96 96 SER N N 87 115.658 115.658 115.616 0.042 18219 5650 1 11 . 1 1 96 96 SER HA H 87 4.370 4.370 4.200 0.170 18219 5651 1 11 . 1 1 96 96 SER C C 87 172.479 172.479 176.852 -4.373 18219 5652 1 11 . 1 1 96 96 SER CA C 87 57.200 57.200 62.274 -5.074 18219 5653 1 11 . 1 1 96 96 SER CB C 87 64.174 64.174 63.055 1.119 18219 5654 1 11 . 1 1 96 96 SER H H 87 7.659 7.659 8.154 -0.495 18219 5655 1 11 . 1 1 97 97 LEU N N 88 123.720 123.720 123.336 0.384 18219 5656 1 11 . 1 1 97 97 LEU HA H 88 4.600 4.600 3.961 0.639 18219 5657 1 11 . 1 1 97 97 LEU C C 88 175.932 175.932 179.032 -3.100 18219 5658 1 11 . 1 1 97 97 LEU CA C 88 57.600 57.600 58.396 -0.796 18219 5659 1 11 . 1 1 97 97 LEU CB C 88 41.400 41.400 41.981 -0.581 18219 5660 1 11 . 1 1 97 97 LEU H H 88 8.733 8.733 8.165 0.568 18219 5661 1 11 . 1 1 98 98 MET N N 89 116.684 116.684 118.588 -1.904 18219 5662 1 11 . 1 1 98 98 MET HA H 89 4.280 4.280 4.119 0.161 18219 5663 1 11 . 1 1 98 98 MET C C 89 175.789 175.789 178.192 -2.403 18219 5664 1 11 . 1 1 98 98 MET CA C 89 56.915 56.915 57.386 -0.471 18219 5665 1 11 . 1 1 98 98 MET CB C 89 31.007 31.007 31.983 -0.976 18219 5666 1 11 . 1 1 98 98 MET H H 89 8.342 8.342 8.444 -0.102 18219 5667 1 11 . 1 1 99 99 MET N N 90 119.182 119.182 119.659 -0.477 18219 5668 1 11 . 1 1 99 99 MET HA H 90 4.110 4.110 4.106 0.004 18219 5669 1 11 . 1 1 99 99 MET C C 90 175.588 175.588 179.053 -3.465 18219 5670 1 11 . 1 1 99 99 MET CA C 90 57.951 57.951 59.136 -1.185 18219 5671 1 11 . 1 1 99 99 MET CB C 90 32.226 32.226 32.340 -0.114 18219 5672 1 11 . 1 1 99 99 MET H H 90 7.720 7.720 8.050 -0.330 18219 5673 1 11 . 1 1 100 100 ILE N N 91 119.077 119.077 119.878 -0.801 18219 5674 1 11 . 1 1 100 100 ILE HA H 91 4.110 4.110 3.809 0.301 18219 5675 1 11 . 1 1 100 100 ILE C C 91 174.634 174.634 177.431 -2.797 18219 5676 1 11 . 1 1 100 100 ILE CA C 91 64.100 64.100 64.755 -0.655 18219 5677 1 11 . 1 1 100 100 ILE CB C 91 37.143 37.143 38.190 -1.047 18219 5678 1 11 . 1 1 100 100 ILE H H 91 7.662 7.662 8.491 -0.829 18219 5679 1 11 . 1 1 101 101 LEU N N 92 119.646 119.646 120.961 -1.315 18219 5680 1 11 . 1 1 101 101 LEU HA H 92 4.530 4.530 3.944 0.586 18219 5681 1 11 . 1 1 101 101 LEU C C 92 175.430 175.430 178.577 -3.147 18219 5682 1 11 . 1 1 101 101 LEU CA C 92 57.800 57.800 58.082 -0.282 18219 5683 1 11 . 1 1 101 101 LEU CB C 92 40.758 40.758 41.863 -1.105 18219 5684 1 11 . 1 1 101 101 LEU H H 92 8.142 8.142 8.060 0.082 18219 5685 1 11 . 1 1 102 102 ARG N N 93 116.394 116.394 117.448 -1.054 18219 5686 1 11 . 1 1 102 102 ARG HA H 93 4.140 4.140 4.223 -0.083 18219 5687 1 11 . 1 1 102 102 ARG C C 93 175.961 175.961 178.360 -2.399 18219 5688 1 11 . 1 1 102 102 ARG CA C 93 59.100 59.100 57.918 1.182 18219 5689 1 11 . 1 1 102 102 ARG CB C 93 29.404 29.404 30.900 -1.496 18219 5690 1 11 . 1 1 102 102 ARG H H 93 7.893 7.893 8.221 -0.328 18219 5691 1 11 . 1 1 103 103 LEU N N 94 119.114 119.114 121.954 -2.840 18219 5692 1 11 . 1 1 103 103 LEU HA H 94 4.110 4.110 4.162 -0.052 18219 5693 1 11 . 1 1 103 103 LEU C C 94 175.889 175.889 179.304 -3.415 18219 5694 1 11 . 1 1 103 103 LEU CA C 94 57.300 57.300 57.546 -0.246 18219 5695 1 11 . 1 1 103 103 LEU CB C 94 41.296 41.296 41.797 -0.501 18219 5696 1 11 . 1 1 103 103 LEU H H 94 7.622 7.622 7.947 -0.325 18219 5697 1 11 . 1 1 104 104 VAL N N 95 117.704 117.704 121.065 -3.361 18219 5698 1 11 . 1 1 104 104 VAL HA H 95 3.530 3.530 3.782 -0.252 18219 5699 1 11 . 1 1 104 104 VAL C C 95 175.042 175.042 177.141 -2.099 18219 5700 1 11 . 1 1 104 104 VAL CA C 95 66.419 66.419 65.980 0.439 18219 5701 1 11 . 1 1 104 104 VAL CB C 95 31.357 31.357 31.996 -0.639 18219 5702 1 11 . 1 1 104 104 VAL H H 95 8.026 8.026 8.446 -0.420 18219 5703 1 11 . 1 1 105 105 LEU N N 96 117.185 117.185 114.899 2.286 18219 5704 1 11 . 1 1 105 105 LEU HA H 96 3.980 3.980 4.682 -0.702 18219 5705 1 11 . 1 1 105 105 LEU C C 96 176.579 176.579 176.473 0.106 18219 5706 1 11 . 1 1 105 105 LEU CA C 96 56.800 56.800 53.703 3.097 18219 5707 1 11 . 1 1 105 105 LEU CB C 96 40.951 40.951 41.488 -0.537 18219 5708 1 11 . 1 1 105 105 LEU H H 96 7.893 7.893 7.654 0.239 18219 5709 1 11 . 1 1 106 106 LEU N N 97 118.471 118.471 120.287 -1.816 18219 5710 1 11 . 1 1 106 106 LEU HA H 97 4.180 4.180 3.891 0.289 18219 5711 1 11 . 1 1 106 106 LEU C C 97 175.802 175.802 176.186 -0.384 18219 5712 1 11 . 1 1 106 106 LEU CA C 97 56.300 56.300 55.489 0.811 18219 5713 1 11 . 1 1 106 106 LEU CB C 97 41.592 41.592 40.573 1.019 18219 5714 1 11 . 1 1 106 106 LEU H H 97 7.545 7.545 7.503 0.042 18219 5715 1 11 . 1 1 107 107 LEU N N 98 118.162 118.162 110.580 7.582 18219 5716 1 11 . 1 1 107 107 LEU HA H 98 4.230 4.230 3.888 0.342 18219 5717 1 11 . 1 1 107 107 LEU C C 98 174.174 174.174 176.292 -2.118 18219 5718 1 11 . 1 1 107 107 LEU CA C 98 56.283 56.283 55.514 0.769 18219 5719 1 11 . 1 1 107 107 LEU CB C 98 42.362 42.362 39.261 3.100 18219 5720 1 11 . 1 1 107 107 LEU H H 98 7.688 7.688 7.821 -0.133 18219 5721 1 12 . 1 1 11 11 ASP N N 2 120.536 120.536 123.296 -2.760 18219 5722 1 12 . 1 1 11 11 ASP CA C 2 55.918 55.918 53.965 1.953 18219 5723 1 12 . 1 1 11 11 ASP CB C 2 37.959 37.959 41.735 -3.776 18219 5724 1 12 . 1 1 11 11 ASP H H 2 7.863 7.863 8.340 -0.477 18219 5725 1 12 . 1 1 12 12 LEU N N 3 121.414 121.414 121.793 -0.379 18219 5726 1 12 . 1 1 12 12 LEU C C 3 176.162 176.162 178.430 -2.268 18219 5727 1 12 . 1 1 12 12 LEU CA C 3 57.600 57.600 55.154 2.446 18219 5728 1 12 . 1 1 12 12 LEU CB C 3 41.657 41.657 42.473 -0.816 18219 5729 1 12 . 1 1 12 12 LEU H H 3 8.285 8.285 8.231 0.054 18219 5730 1 12 . 1 1 13 13 ILE N N 4 118.854 118.854 119.631 -0.777 18219 5731 1 12 . 1 1 13 13 ILE HA H 4 3.740 3.740 3.796 -0.056 18219 5732 1 12 . 1 1 13 13 ILE C C 4 175.228 175.228 177.777 -2.549 18219 5733 1 12 . 1 1 13 13 ILE CA C 4 64.500 64.500 63.058 1.442 18219 5734 1 12 . 1 1 13 13 ILE CB C 4 37.102 37.102 38.378 -1.276 18219 5735 1 12 . 1 1 13 13 ILE H H 4 8.031 8.031 8.019 0.012 18219 5736 1 12 . 1 1 14 14 GLY N N 5 107.478 107.478 107.569 -0.091 18219 5737 1 12 . 1 1 14 14 GLY C C 5 174.424 174.424 175.871 -1.447 18219 5738 1 12 . 1 1 14 14 GLY CA C 5 47.059 47.059 46.526 0.533 18219 5739 1 12 . 1 1 14 14 GLY H H 5 8.148 8.148 8.159 -0.011 18219 5740 1 12 . 1 1 15 15 PHE N N 6 122.774 122.774 123.983 -1.209 18219 5741 1 12 . 1 1 15 15 PHE HA H 6 4.480 4.480 4.294 0.186 18219 5742 1 12 . 1 1 15 15 PHE C C 6 175.113 175.113 177.113 -2.000 18219 5743 1 12 . 1 1 15 15 PHE CA C 6 60.017 60.017 61.831 -1.813 18219 5744 1 12 . 1 1 15 15 PHE CB C 6 38.774 38.774 38.512 0.262 18219 5745 1 12 . 1 1 15 15 PHE H H 6 8.194 8.194 8.533 -0.339 18219 5746 1 12 . 1 1 16 16 GLY N N 7 107.938 107.938 106.023 1.915 18219 5747 1 12 . 1 1 16 16 GLY C C 7 171.838 171.838 175.618 -3.780 18219 5748 1 12 . 1 1 16 16 GLY CA C 7 47.100 47.100 47.341 -0.241 18219 5749 1 12 . 1 1 16 16 GLY H H 7 8.697 8.697 8.625 0.072 18219 5750 1 12 . 1 1 17 17 TYR N N 8 121.785 121.785 123.371 -1.586 18219 5751 1 12 . 1 1 17 17 TYR HA H 8 4.150 4.150 4.123 0.027 18219 5752 1 12 . 1 1 17 17 TYR C C 8 174.180 174.180 177.416 -3.236 18219 5753 1 12 . 1 1 17 17 TYR CA C 8 61.300 61.300 61.129 0.171 18219 5754 1 12 . 1 1 17 17 TYR CB C 8 37.959 37.959 38.459 -0.500 18219 5755 1 12 . 1 1 17 17 TYR H H 8 8.710 8.710 8.011 0.699 18219 5756 1 12 . 1 1 18 18 ALA N N 9 120.233 120.233 120.109 0.124 18219 5757 1 12 . 1 1 18 18 ALA HA H 9 3.950 3.950 3.953 -0.003 18219 5758 1 12 . 1 1 18 18 ALA C C 9 178.059 178.059 179.205 -1.146 18219 5759 1 12 . 1 1 18 18 ALA CA C 9 54.872 54.872 54.502 0.370 18219 5760 1 12 . 1 1 18 18 ALA CB C 9 17.562 17.562 17.754 -0.192 18219 5761 1 12 . 1 1 18 18 ALA H H 9 7.843 7.843 8.620 -0.777 18219 5762 1 12 . 1 1 19 19 ALA N N 10 121.797 121.797 122.974 -1.177 18219 5763 1 12 . 1 1 19 19 ALA HA H 10 3.950 3.950 3.927 0.023 18219 5764 1 12 . 1 1 19 19 ALA C C 10 176.191 176.191 179.337 -3.146 18219 5765 1 12 . 1 1 19 19 ALA CA C 10 54.600 54.600 54.859 -0.260 18219 5766 1 12 . 1 1 19 19 ALA CB C 10 17.562 17.562 18.193 -0.631 18219 5767 1 12 . 1 1 19 19 ALA H H 10 8.212 8.212 7.956 0.256 18219 5768 1 12 . 1 1 20 20 LEU N N 11 119.442 119.442 117.320 2.122 18219 5769 1 12 . 1 1 20 20 LEU HA H 11 3.937 3.937 3.923 0.014 18219 5770 1 12 . 1 1 20 20 LEU C C 11 176.694 176.694 178.732 -2.038 18219 5771 1 12 . 1 1 20 20 LEU CA C 11 57.800 57.800 57.792 0.008 18219 5772 1 12 . 1 1 20 20 LEU CB C 11 41.222 41.222 40.973 0.249 18219 5773 1 12 . 1 1 20 20 LEU H H 11 8.065 8.065 7.904 0.161 18219 5774 1 12 . 1 1 21 21 VAL N N 12 118.323 118.323 120.322 -1.999 18219 5775 1 12 . 1 1 21 21 VAL HA H 12 3.640 3.640 3.409 0.231 18219 5776 1 12 . 1 1 21 21 VAL C C 12 176.536 176.536 178.389 -1.853 18219 5777 1 12 . 1 1 21 21 VAL CA C 12 65.400 65.400 66.726 -1.326 18219 5778 1 12 . 1 1 21 21 VAL CB C 12 31.135 31.135 31.005 0.130 18219 5779 1 12 . 1 1 21 21 VAL H H 12 8.051 8.051 8.260 -0.209 18219 5780 1 12 . 1 1 22 22 THR N N 13 118.298 118.298 116.245 2.053 18219 5781 1 12 . 1 1 22 22 THR HA H 13 4.660 4.660 4.023 0.637 18219 5782 1 12 . 1 1 22 22 THR C C 13 173.734 173.734 176.614 -2.880 18219 5783 1 12 . 1 1 22 22 THR CA C 13 66.300 66.300 66.192 0.108 18219 5784 1 12 . 1 1 22 22 THR CB C 13 67.775 67.775 68.387 -0.612 18219 5785 1 12 . 1 1 22 22 THR H H 13 7.944 7.944 7.887 0.057 18219 5786 1 12 . 1 1 23 23 PHE N N 14 121.328 121.328 122.467 -1.139 18219 5787 1 12 . 1 1 23 23 PHE HA H 14 4.340 4.340 4.192 0.148 18219 5788 1 12 . 1 1 23 23 PHE C C 14 174.783 174.783 177.260 -2.477 18219 5789 1 12 . 1 1 23 23 PHE CA C 14 60.500 60.500 61.484 -0.984 18219 5790 1 12 . 1 1 23 23 PHE CB C 14 38.626 38.626 38.712 -0.086 18219 5791 1 12 . 1 1 23 23 PHE H H 14 8.567 8.567 8.425 0.142 18219 5792 1 12 . 1 1 24 24 GLY N N 15 106.871 106.871 104.981 1.890 18219 5793 1 12 . 1 1 24 24 GLY C C 15 172.858 172.858 176.550 -3.692 18219 5794 1 12 . 1 1 24 24 GLY CA C 15 46.900 46.900 47.127 -0.227 18219 5795 1 12 . 1 1 24 24 GLY H H 15 8.475 8.475 8.844 -0.369 18219 5796 1 12 . 1 1 25 25 SER N N 16 116.214 116.214 117.944 -1.730 18219 5797 1 12 . 1 1 25 25 SER HA H 16 4.280 4.280 4.178 0.102 18219 5798 1 12 . 1 1 25 25 SER CA C 16 60.300 60.300 61.934 -1.634 18219 5799 1 12 . 1 1 25 25 SER CB C 16 62.879 62.879 63.345 -0.466 18219 5800 1 12 . 1 1 25 25 SER H H 16 7.963 7.963 7.888 0.075 18219 5801 1 12 . 1 1 26 26 ILE N N 17 121.024 121.024 122.398 -1.374 18219 5802 1 12 . 1 1 26 26 ILE HA H 17 3.946 3.946 3.703 0.243 18219 5803 1 12 . 1 1 26 26 ILE C C 17 173.935 173.935 177.962 -4.027 18219 5804 1 12 . 1 1 26 26 ILE CA C 17 63.100 63.100 64.628 -1.528 18219 5805 1 12 . 1 1 26 26 ILE CB C 17 38.107 38.107 38.217 -0.110 18219 5806 1 12 . 1 1 26 26 ILE H H 17 7.676 7.676 7.927 -0.251 18219 5807 1 12 . 1 1 27 27 PHE N N 18 117.142 117.142 117.422 -0.280 18219 5808 1 12 . 1 1 27 27 PHE HA H 18 4.430 4.430 3.983 0.447 18219 5809 1 12 . 1 1 27 27 PHE C C 18 173.504 173.504 177.021 -3.517 18219 5810 1 12 . 1 1 27 27 PHE CA C 18 58.500 58.500 60.996 -2.496 18219 5811 1 12 . 1 1 27 27 PHE CB C 18 38.774 38.774 39.239 -0.465 18219 5812 1 12 . 1 1 27 27 PHE H H 18 7.703 7.703 8.331 -0.628 18219 5813 1 12 . 1 1 28 28 GLY N N 19 107.303 107.303 105.509 1.794 18219 5814 1 12 . 1 1 28 28 GLY C C 19 171.593 171.593 173.920 -2.327 18219 5815 1 12 . 1 1 28 28 GLY CA C 19 45.600 45.600 45.059 0.541 18219 5816 1 12 . 1 1 28 28 GLY H H 19 7.722 7.722 8.113 -0.391 18219 5817 1 12 . 1 1 29 29 TYR N N 20 119.862 119.862 120.315 -0.453 18219 5818 1 12 . 1 1 29 29 TYR HA H 20 4.392 4.392 4.259 0.133 18219 5819 1 12 . 1 1 29 29 TYR C C 20 173.174 173.174 175.522 -2.348 18219 5820 1 12 . 1 1 29 29 TYR CA C 20 58.500 58.500 58.235 0.265 18219 5821 1 12 . 1 1 29 29 TYR CB C 20 38.404 38.404 37.172 1.232 18219 5822 1 12 . 1 1 29 29 TYR H H 20 7.880 7.880 8.579 -0.699 18219 5823 1 12 . 1 1 30 30 LYS N N 21 122.335 122.335 120.633 1.702 18219 5824 1 12 . 1 1 30 30 LYS HA H 21 4.390 4.390 4.031 0.359 18219 5825 1 12 . 1 1 30 30 LYS C C 21 173.547 173.547 177.496 -3.949 18219 5826 1 12 . 1 1 30 30 LYS CA C 21 55.800 55.800 58.121 -2.321 18219 5827 1 12 . 1 1 30 30 LYS CB C 21 32.396 32.396 32.800 -0.404 18219 5828 1 12 . 1 1 30 30 LYS H H 21 7.934 7.934 8.490 -0.556 18219 5829 1 12 . 1 1 31 31 ARG N N 22 120.612 120.612 117.884 2.728 18219 5830 1 12 . 1 1 31 31 ARG C C 22 173.547 173.547 175.592 -2.045 18219 5831 1 12 . 1 1 31 31 ARG CA C 22 55.834 55.834 56.401 -0.567 18219 5832 1 12 . 1 1 31 31 ARG CB C 22 30.101 30.101 28.318 1.783 18219 5833 1 12 . 1 1 31 31 ARG H H 22 7.905 7.905 8.481 -0.576 18219 5834 1 12 . 1 1 32 32 ARG N N 23 121.748 121.748 119.951 1.797 18219 5835 1 12 . 1 1 32 32 ARG HA H 23 4.310 4.310 4.161 0.149 18219 5836 1 12 . 1 1 32 32 ARG C C 23 173.863 173.863 176.681 -2.818 18219 5837 1 12 . 1 1 32 32 ARG CA C 23 55.800 55.800 56.865 -1.065 18219 5838 1 12 . 1 1 32 32 ARG CB C 23 30.245 30.245 31.059 -0.814 18219 5839 1 12 . 1 1 32 32 ARG H H 23 8.175 8.175 7.964 0.211 18219 5840 1 12 . 1 1 33 33 GLY N N 24 109.528 109.528 105.599 3.929 18219 5841 1 12 . 1 1 33 33 GLY C C 24 171.752 171.752 173.716 -1.964 18219 5842 1 12 . 1 1 33 33 GLY CA C 24 44.900 44.900 44.207 0.693 18219 5843 1 12 . 1 1 33 33 GLY H H 24 8.264 8.264 8.376 -0.112 18219 5844 1 12 . 1 1 34 34 GLY N N 25 108.563 108.563 109.056 -0.493 18219 5845 1 12 . 1 1 34 34 GLY C C 25 171.701 171.701 174.384 -2.683 18219 5846 1 12 . 1 1 34 34 GLY CA C 25 44.600 44.600 44.328 0.272 18219 5847 1 12 . 1 1 34 34 GLY H H 25 8.208 8.208 8.170 0.038 18219 5848 1 12 . 1 1 35 35 VAL N N 26 121.164 121.164 122.100 -0.936 18219 5849 1 12 . 1 1 35 35 VAL HA H 26 4.010 4.010 4.050 -0.040 18219 5850 1 12 . 1 1 35 35 VAL C C 26 175.888 175.888 175.005 0.883 18219 5851 1 12 . 1 1 35 35 VAL CA C 26 63.900 63.900 63.350 0.550 18219 5852 1 12 . 1 1 35 35 VAL CB C 26 30.690 30.690 31.425 -0.735 18219 5853 1 12 . 1 1 35 35 VAL H H 26 8.485 8.485 8.269 0.216 18219 5854 1 12 . 1 1 36 36 PRO C C 27 177.660 177.660 176.164 1.496 18219 5855 1 12 . 1 1 36 36 PRO CA C 27 61.847 61.847 62.050 -0.203 18219 5856 1 12 . 1 1 37 37 SER N N 28 116.023 116.023 113.515 2.508 18219 5857 1 12 . 1 1 37 37 SER HA H 28 4.280 4.280 4.464 -0.184 18219 5858 1 12 . 1 1 37 37 SER CA C 28 61.100 61.100 59.272 1.828 18219 5859 1 12 . 1 1 37 37 SER H H 28 7.948 7.948 8.699 -0.751 18219 5860 1 12 . 1 1 38 38 LEU N N 29 124.029 124.029 121.627 2.402 18219 5861 1 12 . 1 1 38 38 LEU HA H 29 4.170 4.170 4.099 0.071 18219 5862 1 12 . 1 1 38 38 LEU C C 29 176.132 176.132 178.278 -2.146 18219 5863 1 12 . 1 1 38 38 LEU CA C 29 57.500 57.500 58.126 -0.626 18219 5864 1 12 . 1 1 38 38 LEU CB C 29 42.038 42.038 40.743 1.295 18219 5865 1 12 . 1 1 38 38 LEU H H 29 8.201 8.201 8.005 0.196 18219 5866 1 12 . 1 1 39 39 ILE N N 30 117.098 117.098 114.853 2.245 18219 5867 1 12 . 1 1 39 39 ILE HA H 30 4.370 4.370 4.084 0.286 18219 5868 1 12 . 1 1 39 39 ILE C C 30 176.478 176.478 177.342 -0.864 18219 5869 1 12 . 1 1 39 39 ILE CA C 30 63.079 63.079 63.215 -0.136 18219 5870 1 12 . 1 1 39 39 ILE CB C 30 36.973 36.973 36.430 0.543 18219 5871 1 12 . 1 1 39 39 ILE H H 30 7.662 7.662 8.037 -0.375 18219 5872 1 12 . 1 1 40 40 ALA N N 31 122.447 122.447 123.948 -1.501 18219 5873 1 12 . 1 1 40 40 ALA HA H 31 4.034 4.034 4.142 -0.108 18219 5874 1 12 . 1 1 40 40 ALA C C 31 177.067 177.067 179.754 -2.687 18219 5875 1 12 . 1 1 40 40 ALA CA C 31 55.962 55.962 55.513 0.449 18219 5876 1 12 . 1 1 40 40 ALA CB C 31 17.856 17.856 17.935 -0.079 18219 5877 1 12 . 1 1 40 40 ALA H H 31 8.096 8.096 8.043 0.053 18219 5878 1 12 . 1 1 41 41 GLY N N 32 104.056 104.056 107.423 -3.367 18219 5879 1 12 . 1 1 41 41 GLY C C 32 174.251 174.251 176.027 -1.776 18219 5880 1 12 . 1 1 41 41 GLY CA C 32 46.500 46.500 46.958 -0.458 18219 5881 1 12 . 1 1 41 41 GLY H H 32 8.123 8.123 8.168 -0.045 18219 5882 1 12 . 1 1 42 42 LEU N N 33 123.250 123.250 123.102 0.148 18219 5883 1 12 . 1 1 42 42 LEU HA H 33 3.857 3.857 4.054 -0.197 18219 5884 1 12 . 1 1 42 42 LEU C C 33 176.033 176.033 178.170 -2.137 18219 5885 1 12 . 1 1 42 42 LEU CA C 33 56.668 56.668 57.901 -1.232 18219 5886 1 12 . 1 1 42 42 LEU CB C 33 41.721 41.721 42.028 -0.307 18219 5887 1 12 . 1 1 42 42 LEU H H 33 7.914 7.914 8.183 -0.269 18219 5888 1 12 . 1 1 43 43 PHE N N 34 119.757 119.757 119.350 0.407 18219 5889 1 12 . 1 1 43 43 PHE HA H 34 4.200 4.200 4.117 0.083 18219 5890 1 12 . 1 1 43 43 PHE C C 34 174.374 174.374 177.322 -2.948 18219 5891 1 12 . 1 1 43 43 PHE CA C 34 59.876 59.876 61.927 -2.051 18219 5892 1 12 . 1 1 43 43 PHE CB C 34 38.834 38.834 39.046 -0.212 18219 5893 1 12 . 1 1 43 43 PHE H H 34 8.287 8.287 8.014 0.273 18219 5894 1 12 . 1 1 44 44 VAL N N 35 117.791 117.791 118.333 -0.542 18219 5895 1 12 . 1 1 44 44 VAL HA H 35 3.610 3.610 3.512 0.098 18219 5896 1 12 . 1 1 44 44 VAL C C 35 176.205 176.205 178.463 -2.258 18219 5897 1 12 . 1 1 44 44 VAL CA C 35 64.559 64.559 66.498 -1.938 18219 5898 1 12 . 1 1 44 44 VAL CB C 35 31.432 31.432 31.317 0.115 18219 5899 1 12 . 1 1 44 44 VAL H H 35 8.235 8.235 8.329 -0.094 18219 5900 1 12 . 1 1 45 45 GLY N N 36 108.551 108.551 107.649 0.902 18219 5901 1 12 . 1 1 45 45 GLY C C 36 173.749 173.749 175.634 -1.885 18219 5902 1 12 . 1 1 45 45 GLY CA C 36 46.083 46.083 47.151 -1.068 18219 5903 1 12 . 1 1 45 45 GLY H H 36 8.178 8.178 8.584 -0.406 18219 5904 1 12 . 1 1 46 46 CYS N N 37 121.173 121.173 122.321 -1.148 18219 5905 1 12 . 1 1 46 46 CYS HA H 37 4.180 4.180 4.137 0.043 18219 5906 1 12 . 1 1 46 46 CYS C C 37 173.710 173.710 176.494 -2.784 18219 5907 1 12 . 1 1 46 46 CYS CA C 37 63.000 63.000 63.594 -0.594 18219 5908 1 12 . 1 1 46 46 CYS CB C 37 60.283 60.283 27.789 32.494 18219 5909 1 12 . 1 1 46 46 CYS H H 37 8.253 8.253 8.199 0.054 18219 5910 1 12 . 1 1 47 47 LEU N N 38 120.283 120.283 119.016 1.267 18219 5911 1 12 . 1 1 47 47 LEU HA H 38 4.060 4.060 3.998 0.062 18219 5912 1 12 . 1 1 47 47 LEU C C 38 176.679 176.679 177.951 -1.272 18219 5913 1 12 . 1 1 47 47 LEU CA C 38 56.027 56.027 57.885 -1.858 18219 5914 1 12 . 1 1 47 47 LEU CB C 38 41.464 41.464 40.549 0.915 18219 5915 1 12 . 1 1 47 47 LEU H H 38 7.965 7.965 8.310 -0.345 18219 5916 1 12 . 1 1 48 48 ALA N N 39 122.249 122.249 121.948 0.301 18219 5917 1 12 . 1 1 48 48 ALA HA H 39 4.142 4.142 3.982 0.160 18219 5918 1 12 . 1 1 48 48 ALA C C 39 177.915 177.915 179.842 -1.927 18219 5919 1 12 . 1 1 48 48 ALA CA C 39 53.717 53.717 55.188 -1.471 18219 5920 1 12 . 1 1 48 48 ALA CB C 39 17.985 17.985 18.055 -0.070 18219 5921 1 12 . 1 1 48 48 ALA H H 39 8.066 8.066 7.895 0.171 18219 5922 1 12 . 1 1 49 49 GLY N N 40 107.377 107.377 107.636 -0.259 18219 5923 1 12 . 1 1 49 49 GLY C C 40 172.527 172.527 175.596 -3.069 18219 5924 1 12 . 1 1 49 49 GLY CA C 40 45.450 45.450 46.797 -1.347 18219 5925 1 12 . 1 1 49 49 GLY H H 40 8.172 8.172 8.184 -0.012 18219 5926 1 12 . 1 1 50 50 TYR N N 41 122.409 122.409 123.122 -0.713 18219 5927 1 12 . 1 1 50 50 TYR HA H 41 3.799 3.799 4.162 -0.363 18219 5928 1 12 . 1 1 50 50 TYR C C 41 174.208 174.208 178.063 -3.855 18219 5929 1 12 . 1 1 50 50 TYR CA C 41 59.245 59.245 61.288 -2.043 18219 5930 1 12 . 1 1 50 50 TYR CB C 41 37.936 37.936 38.489 -0.553 18219 5931 1 12 . 1 1 50 50 TYR H H 41 7.800 7.800 8.532 -0.732 18219 5932 1 12 . 1 1 51 51 GLY N N 42 106.935 106.935 106.877 0.058 18219 5933 1 12 . 1 1 51 51 GLY C C 42 172.642 172.642 175.163 -2.521 18219 5934 1 12 . 1 1 51 51 GLY CA C 42 46.265 46.265 45.460 0.805 18219 5935 1 12 . 1 1 51 51 GLY H H 42 8.199 8.199 8.155 0.044 18219 5936 1 12 . 1 1 52 52 ALA N N 43 123.018 123.018 124.454 -1.436 18219 5937 1 12 . 1 1 52 52 ALA HA H 43 4.150 4.150 4.051 0.099 18219 5938 1 12 . 1 1 52 52 ALA C C 43 176.398 176.398 177.910 -1.512 18219 5939 1 12 . 1 1 52 52 ALA CA C 43 52.883 52.883 53.629 -0.746 18219 5940 1 12 . 1 1 52 52 ALA CB C 43 18.241 18.241 19.151 -0.910 18219 5941 1 12 . 1 1 52 52 ALA H H 43 7.758 7.758 7.958 -0.200 18219 5942 1 12 . 1 1 53 53 TYR N N 44 119.664 119.664 115.416 4.248 18219 5943 1 12 . 1 1 53 53 TYR HA H 44 4.318 4.318 3.950 0.368 18219 5944 1 12 . 1 1 53 53 TYR C C 44 174.180 174.180 175.727 -1.547 18219 5945 1 12 . 1 1 53 53 TYR CA C 44 58.593 58.593 59.505 -0.912 18219 5946 1 12 . 1 1 53 53 TYR CB C 44 38.192 38.192 36.888 1.304 18219 5947 1 12 . 1 1 53 53 TYR H H 44 7.920 7.920 8.102 -0.182 18219 5948 1 12 . 1 1 54 54 ARG N N 45 119.516 119.516 116.633 2.883 18219 5949 1 12 . 1 1 54 54 ARG HA H 45 3.930 3.930 4.329 -0.399 18219 5950 1 12 . 1 1 54 54 ARG C C 45 174.423 174.423 176.812 -2.389 18219 5951 1 12 . 1 1 54 54 ARG CA C 45 56.027 56.027 55.715 0.312 18219 5952 1 12 . 1 1 54 54 ARG CB C 45 30.173 30.173 30.902 -0.729 18219 5953 1 12 . 1 1 54 54 ARG H H 45 7.956 7.956 8.198 -0.242 18219 5954 1 12 . 1 1 55 55 VAL N N 46 116.437 116.437 120.122 -3.685 18219 5955 1 12 . 1 1 55 55 VAL HA H 46 4.060 4.060 3.678 0.382 18219 5956 1 12 . 1 1 55 55 VAL C C 46 173.806 173.806 176.114 -2.308 18219 5957 1 12 . 1 1 55 55 VAL CA C 46 62.300 62.300 65.254 -2.954 18219 5958 1 12 . 1 1 55 55 VAL CB C 46 31.521 31.521 31.367 0.154 18219 5959 1 12 . 1 1 55 55 VAL H H 46 7.489 7.489 8.224 -0.735 18219 5960 1 12 . 1 1 56 56 SER N N 47 117.185 117.185 111.304 5.881 18219 5961 1 12 . 1 1 56 56 SER HA H 47 4.401 4.401 4.297 0.104 18219 5962 1 12 . 1 1 56 56 SER C C 47 172.074 172.074 174.327 -2.253 18219 5963 1 12 . 1 1 56 56 SER CA C 47 58.133 58.133 59.052 -0.919 18219 5964 1 12 . 1 1 56 56 SER CB C 47 63.468 63.468 62.111 1.357 18219 5965 1 12 . 1 1 56 56 SER H H 47 7.728 7.728 7.907 -0.179 18219 5966 1 12 . 1 1 57 57 ASN N N 48 121.049 121.049 119.964 1.085 18219 5967 1 12 . 1 1 57 57 ASN HA H 48 4.590 4.590 4.681 -0.091 18219 5968 1 12 . 1 1 57 57 ASN CA C 48 53.600 53.600 54.810 -1.210 18219 5969 1 12 . 1 1 57 57 ASN CB C 48 38.641 38.641 39.592 -0.951 18219 5970 1 12 . 1 1 57 57 ASN H H 48 8.228 8.228 8.121 0.107 18219 5971 1 12 . 1 1 58 58 ASP N N 49 120.276 120.276 118.484 1.792 18219 5972 1 12 . 1 1 58 58 ASP HA H 49 4.530 4.530 4.648 -0.118 18219 5973 1 12 . 1 1 58 58 ASP CA C 49 54.202 54.202 53.850 0.352 18219 5974 1 12 . 1 1 58 58 ASP CB C 49 40.374 40.374 41.392 -1.018 18219 5975 1 12 . 1 1 58 58 ASP H H 49 8.192 8.192 8.091 0.101 18219 5976 1 12 . 1 1 59 59 LYS N N 50 120.660 120.660 117.250 3.410 18219 5977 1 12 . 1 1 59 59 LYS HA H 50 4.200 4.200 3.988 0.212 18219 5978 1 12 . 1 1 59 59 LYS C C 50 173.474 173.474 175.450 -1.976 18219 5979 1 12 . 1 1 59 59 LYS CA C 50 56.300 56.300 56.992 -0.692 18219 5980 1 12 . 1 1 59 59 LYS CB C 50 32.034 32.034 30.633 1.401 18219 5981 1 12 . 1 1 59 59 LYS H H 50 8.003 8.003 7.563 0.440 18219 5982 1 12 . 1 1 60 60 ARG N N 51 121.278 121.278 118.413 2.865 18219 5983 1 12 . 1 1 60 60 ARG HA H 51 4.200 4.200 4.140 0.060 18219 5984 1 12 . 1 1 60 60 ARG C C 51 173.303 173.303 175.302 -1.999 18219 5985 1 12 . 1 1 60 60 ARG CA C 51 56.283 56.283 57.202 -0.919 18219 5986 1 12 . 1 1 60 60 ARG CB C 51 30.238 30.238 30.714 -0.476 18219 5987 1 12 . 1 1 60 60 ARG H H 51 8.091 8.091 7.684 0.407 18219 5988 1 12 . 1 1 61 61 ASP N N 52 121.185 121.185 116.686 4.499 18219 5989 1 12 . 1 1 61 61 ASP HA H 52 4.615 4.615 4.686 -0.071 18219 5990 1 12 . 1 1 61 61 ASP C C 52 173.777 173.777 176.530 -2.753 18219 5991 1 12 . 1 1 61 61 ASP CA C 52 53.979 53.979 55.340 -1.361 18219 5992 1 12 . 1 1 61 61 ASP CB C 52 40.245 40.245 41.514 -1.269 18219 5993 1 12 . 1 1 61 61 ASP H H 52 8.261 8.261 8.480 -0.219 18219 5994 1 12 . 1 1 62 62 VAL N N 53 121.902 121.902 119.147 2.755 18219 5995 1 12 . 1 1 62 62 VAL HA H 53 3.950 3.950 4.317 -0.367 18219 5996 1 12 . 1 1 62 62 VAL C C 53 173.279 173.279 177.128 -3.849 18219 5997 1 12 . 1 1 62 62 VAL CA C 53 63.176 63.176 63.361 -0.185 18219 5998 1 12 . 1 1 62 62 VAL CB C 53 32.099 32.099 32.292 -0.193 18219 5999 1 12 . 1 1 62 62 VAL H H 53 7.997 7.997 8.281 -0.284 18219 6000 1 12 . 1 1 63 63 LYS N N 54 123.522 123.522 122.006 1.516 18219 6001 1 12 . 1 1 63 63 LYS HA H 54 4.260 4.260 4.146 0.114 18219 6002 1 12 . 1 1 63 63 LYS C C 54 174.481 174.481 178.719 -4.238 18219 6003 1 12 . 1 1 63 63 LYS CA C 54 56.347 56.347 59.540 -3.193 18219 6004 1 12 . 1 1 63 63 LYS CB C 54 32.099 32.099 32.240 -0.141 18219 6005 1 12 . 1 1 63 63 LYS H H 54 8.054 8.054 8.276 -0.222 18219 6006 1 12 . 1 1 64 64 VAL N N 55 120.647 120.647 116.754 3.893 18219 6007 1 12 . 1 1 64 64 VAL HA H 55 3.947 3.947 3.839 0.108 18219 6008 1 12 . 1 1 64 64 VAL C C 55 174.955 174.955 177.341 -2.386 18219 6009 1 12 . 1 1 64 64 VAL CA C 55 64.600 64.600 65.246 -0.646 18219 6010 1 12 . 1 1 64 64 VAL CB C 55 31.877 31.877 31.406 0.471 18219 6011 1 12 . 1 1 64 64 VAL H H 55 8.225 8.225 8.140 0.085 18219 6012 1 12 . 1 1 65 65 SER N N 56 117.785 117.785 116.065 1.720 18219 6013 1 12 . 1 1 65 65 SER HA H 56 4.390 4.390 4.196 0.194 18219 6014 1 12 . 1 1 65 65 SER C C 56 172.300 172.300 176.450 -4.150 18219 6015 1 12 . 1 1 65 65 SER CA C 56 60.000 60.000 62.030 -2.030 18219 6016 1 12 . 1 1 65 65 SER CB C 56 62.879 62.879 62.865 0.014 18219 6017 1 12 . 1 1 65 65 SER H H 56 8.260 8.260 7.869 0.391 18219 6018 1 12 . 1 1 66 66 LEU N N 57 123.318 123.318 122.664 0.654 18219 6019 1 12 . 1 1 66 66 LEU HA H 57 4.090 4.090 4.040 0.050 18219 6020 1 12 . 1 1 66 66 LEU C C 57 175.932 175.932 178.552 -2.620 18219 6021 1 12 . 1 1 66 66 LEU CA C 57 57.502 57.502 58.606 -1.104 18219 6022 1 12 . 1 1 66 66 LEU CB C 57 41.721 41.721 42.080 -0.359 18219 6023 1 12 . 1 1 66 66 LEU H H 57 8.091 8.091 8.130 -0.039 18219 6024 1 12 . 1 1 67 67 PHE N N 58 118.020 118.020 118.106 -0.086 18219 6025 1 12 . 1 1 67 67 PHE HA H 58 4.330 4.330 4.123 0.207 18219 6026 1 12 . 1 1 67 67 PHE C C 58 174.912 174.912 177.992 -3.080 18219 6027 1 12 . 1 1 67 67 PHE CA C 58 60.600 60.600 62.256 -1.656 18219 6028 1 12 . 1 1 67 67 PHE CB C 58 38.552 38.552 38.831 -0.279 18219 6029 1 12 . 1 1 67 67 PHE H H 58 8.066 8.066 8.661 -0.595 18219 6030 1 12 . 1 1 68 68 THR N N 59 115.324 115.324 116.449 -1.125 18219 6031 1 12 . 1 1 68 68 THR HA H 59 4.310 4.310 4.073 0.237 18219 6032 1 12 . 1 1 68 68 THR C C 59 173.380 173.380 176.222 -2.842 18219 6033 1 12 . 1 1 68 68 THR CA C 59 66.313 66.313 66.863 -0.550 18219 6034 1 12 . 1 1 68 68 THR CB C 59 67.700 67.700 68.427 -0.727 18219 6035 1 12 . 1 1 68 68 THR H H 59 8.287 8.287 8.197 0.090 18219 6036 1 12 . 1 1 69 69 ALA N N 60 123.621 123.621 124.729 -1.108 18219 6037 1 12 . 1 1 69 69 ALA HA H 60 4.280 4.280 4.150 0.130 18219 6038 1 12 . 1 1 69 69 ALA C C 60 176.978 176.978 179.853 -2.875 18219 6039 1 12 . 1 1 69 69 ALA CA C 60 55.100 55.100 55.228 -0.128 18219 6040 1 12 . 1 1 69 69 ALA CB C 60 17.728 17.728 18.212 -0.483 18219 6041 1 12 . 1 1 69 69 ALA H H 60 7.983 7.983 8.337 -0.354 18219 6042 1 12 . 1 1 70 70 PHE N N 61 118.520 118.520 118.370 0.150 18219 6043 1 12 . 1 1 70 70 PHE HA H 61 4.260 4.260 4.152 0.108 18219 6044 1 12 . 1 1 70 70 PHE C C 61 175.369 175.369 177.311 -1.942 18219 6045 1 12 . 1 1 70 70 PHE CA C 61 60.179 60.179 62.034 -1.855 18219 6046 1 12 . 1 1 70 70 PHE CB C 61 38.706 38.706 39.103 -0.397 18219 6047 1 12 . 1 1 70 70 PHE H H 61 8.007 8.007 8.855 -0.848 18219 6048 1 12 . 1 1 71 71 PHE N N 62 122.314 122.314 120.090 2.224 18219 6049 1 12 . 1 1 71 71 PHE HA H 62 4.000 4.000 4.126 -0.126 18219 6050 1 12 . 1 1 71 71 PHE C C 62 174.697 174.697 177.878 -3.181 18219 6051 1 12 . 1 1 71 71 PHE CA C 62 60.517 60.517 62.780 -2.263 18219 6052 1 12 . 1 1 71 71 PHE CB C 62 38.770 38.770 39.345 -0.575 18219 6053 1 12 . 1 1 71 71 PHE H H 62 8.546 8.546 8.177 0.369 18219 6054 1 12 . 1 1 72 72 LEU N N 63 119.399 119.399 119.108 0.291 18219 6055 1 12 . 1 1 72 72 LEU HA H 63 3.870 3.870 3.981 -0.111 18219 6056 1 12 . 1 1 72 72 LEU C C 63 175.774 175.774 179.045 -3.271 18219 6057 1 12 . 1 1 72 72 LEU CA C 63 56.925 56.925 57.828 -0.903 18219 6058 1 12 . 1 1 72 72 LEU CB C 63 41.207 41.207 40.851 0.356 18219 6059 1 12 . 1 1 72 72 LEU H H 63 8.396 8.396 8.907 -0.511 18219 6060 1 12 . 1 1 73 73 ALA N N 64 120.221 120.221 121.590 -1.369 18219 6061 1 12 . 1 1 73 73 ALA HA H 64 3.960 3.960 4.041 -0.081 18219 6062 1 12 . 1 1 73 73 ALA C C 64 177.267 177.267 179.481 -2.214 18219 6063 1 12 . 1 1 73 73 ALA CA C 64 54.600 54.600 55.330 -0.730 18219 6064 1 12 . 1 1 73 73 ALA CB C 64 17.784 17.784 18.128 -0.344 18219 6065 1 12 . 1 1 73 73 ALA H H 64 8.025 8.025 8.086 -0.062 18219 6066 1 12 . 1 1 74 74 THR N N 65 113.648 113.648 111.795 1.853 18219 6067 1 12 . 1 1 74 74 THR HA H 65 3.980 3.980 3.991 -0.011 18219 6068 1 12 . 1 1 74 74 THR CA C 65 66.291 66.291 64.869 1.422 18219 6069 1 12 . 1 1 74 74 THR CB C 65 67.914 67.914 68.459 -0.545 18219 6070 1 12 . 1 1 74 74 THR H H 65 7.717 7.717 7.880 -0.163 18219 6071 1 12 . 1 1 75 75 ILE N N 66 120.291 120.291 120.882 -0.591 18219 6072 1 12 . 1 1 75 75 ILE HA H 66 3.740 3.740 3.900 -0.160 18219 6073 1 12 . 1 1 75 75 ILE C C 66 174.951 174.951 177.305 -2.354 18219 6074 1 12 . 1 1 75 75 ILE CA C 66 64.880 64.880 63.886 0.994 18219 6075 1 12 . 1 1 75 75 ILE CB C 66 37.166 37.166 38.593 -1.427 18219 6076 1 12 . 1 1 75 75 ILE H H 66 7.738 7.738 8.056 -0.318 18219 6077 1 12 . 1 1 76 76 MET N N 67 117.618 117.618 116.928 0.690 18219 6078 1 12 . 1 1 76 76 MET HA H 67 4.220 4.220 4.423 -0.203 18219 6079 1 12 . 1 1 76 76 MET C C 67 175.142 175.142 176.871 -1.729 18219 6080 1 12 . 1 1 76 76 MET CA C 67 56.723 56.723 57.812 -1.089 18219 6081 1 12 . 1 1 76 76 MET CB C 67 31.951 31.951 34.138 -2.187 18219 6082 1 12 . 1 1 76 76 MET H H 67 7.823 7.823 8.444 -0.621 18219 6083 1 12 . 1 1 77 77 GLY N N 68 107.110 107.110 105.593 1.517 18219 6084 1 12 . 1 1 77 77 GLY C C 68 172.260 172.260 174.663 -2.403 18219 6085 1 12 . 1 1 77 77 GLY CA C 68 45.800 45.800 44.972 0.828 18219 6086 1 12 . 1 1 77 77 GLY H H 68 7.937 7.937 8.018 -0.081 18219 6087 1 12 . 1 1 78 78 VAL N N 69 120.431 120.431 119.470 0.961 18219 6088 1 12 . 1 1 78 78 VAL HA H 69 4.220 4.220 3.686 0.534 18219 6089 1 12 . 1 1 78 78 VAL CA C 69 63.900 63.900 65.153 -1.253 18219 6090 1 12 . 1 1 78 78 VAL CB C 69 31.506 31.506 31.986 -0.480 18219 6091 1 12 . 1 1 78 78 VAL H H 69 7.697 7.697 7.437 0.260 18219 6092 1 12 . 1 1 79 79 ARG N N 70 121.420 121.420 118.820 2.600 18219 6093 1 12 . 1 1 79 79 ARG HA H 70 3.810 3.810 4.026 -0.216 18219 6094 1 12 . 1 1 79 79 ARG CA C 70 56.400 56.400 57.663 -1.263 18219 6095 1 12 . 1 1 79 79 ARG CB C 70 30.097 30.097 29.664 0.433 18219 6096 1 12 . 1 1 79 79 ARG H H 70 7.889 7.889 8.325 -0.436 18219 6097 1 12 . 1 1 80 80 PHE N N 71 119.949 119.949 124.043 -4.094 18219 6098 1 12 . 1 1 80 80 PHE HA H 71 4.510 4.510 4.678 -0.168 18219 6099 1 12 . 1 1 80 80 PHE CA C 71 58.600 58.600 58.272 0.328 18219 6100 1 12 . 1 1 80 80 PHE CB C 71 39.145 39.145 40.617 -1.472 18219 6101 1 12 . 1 1 80 80 PHE H H 71 8.101 8.101 8.169 -0.068 18219 6102 1 12 . 1 1 81 81 LYS N N 72 122.193 122.193 118.494 3.699 18219 6103 1 12 . 1 1 81 81 LYS CA C 72 56.800 56.800 56.292 0.508 18219 6104 1 12 . 1 1 81 81 LYS CB C 72 32.322 32.322 34.842 -2.520 18219 6105 1 12 . 1 1 81 81 LYS H H 72 8.090 8.090 8.248 -0.158 18219 6106 1 12 . 1 1 82 82 ARG N N 73 119.650 119.650 120.920 -1.270 18219 6107 1 12 . 1 1 82 82 ARG CA C 73 56.089 56.089 56.132 -0.043 18219 6108 1 12 . 1 1 82 82 ARG CB C 73 30.171 30.171 31.724 -1.554 18219 6109 1 12 . 1 1 82 82 ARG H H 73 8.052 8.052 8.675 -0.623 18219 6110 1 12 . 1 1 83 83 SER N N 74 115.734 115.734 117.194 -1.460 18219 6111 1 12 . 1 1 83 83 SER CA C 74 58.355 58.355 58.794 -0.439 18219 6112 1 12 . 1 1 83 83 SER CB C 74 63.404 63.404 63.608 -0.204 18219 6113 1 12 . 1 1 83 83 SER H H 74 7.912 7.912 8.517 -0.605 18219 6114 1 12 . 1 1 84 84 LYS N N 75 122.370 122.370 121.284 1.086 18219 6115 1 12 . 1 1 84 84 LYS CA C 75 56.135 56.135 56.940 -0.805 18219 6116 1 12 . 1 1 84 84 LYS CB C 75 32.175 32.175 33.075 -0.900 18219 6117 1 12 . 1 1 84 84 LYS H H 75 8.067 8.067 7.998 0.069 18219 6118 1 12 . 1 1 86 86 ILE N N 77 119.592 119.592 118.542 1.050 18219 6119 1 12 . 1 1 86 86 ILE HA H 77 3.810 3.810 4.176 -0.366 18219 6120 1 12 . 1 1 86 86 ILE CA C 77 64.900 64.900 62.462 2.438 18219 6121 1 12 . 1 1 86 86 ILE CB C 77 39.145 39.145 38.779 0.366 18219 6122 1 12 . 1 1 86 86 ILE H H 77 7.837 7.837 8.185 -0.348 18219 6123 1 12 . 1 1 87 87 MET N N 78 121.645 121.645 117.860 3.785 18219 6124 1 12 . 1 1 87 87 MET CA C 78 52.982 52.982 58.094 -5.112 18219 6125 1 12 . 1 1 87 87 MET CB C 78 32.173 32.173 31.664 0.509 18219 6126 1 12 . 1 1 87 87 MET H H 78 7.950 7.950 7.950 0.000 18219 6127 1 12 . 1 1 88 88 PRO HA H 79 4.140 4.140 4.451 -0.311 18219 6128 1 12 . 1 1 88 88 PRO C C 79 173.921 173.921 177.248 -3.327 18219 6129 1 12 . 1 1 88 88 PRO CA C 79 62.800 62.800 63.342 -0.541 18219 6130 1 12 . 1 1 88 88 PRO CB C 79 31.136 31.136 31.957 -0.821 18219 6131 1 12 . 1 1 89 89 ALA N N 80 124.431 124.431 120.785 3.646 18219 6132 1 12 . 1 1 89 89 ALA HA H 80 4.400 4.400 3.983 0.417 18219 6133 1 12 . 1 1 89 89 ALA C C 80 176.234 176.234 179.589 -3.355 18219 6134 1 12 . 1 1 89 89 ALA CA C 80 53.300 53.300 54.025 -0.725 18219 6135 1 12 . 1 1 89 89 ALA CB C 80 18.498 18.498 17.489 1.009 18219 6136 1 12 . 1 1 89 89 ALA H H 80 8.320 8.320 8.582 -0.262 18219 6137 1 12 . 1 1 90 90 GLY N N 81 106.834 106.834 106.876 -0.042 18219 6138 1 12 . 1 1 90 90 GLY C C 81 172.398 172.398 175.461 -3.063 18219 6139 1 12 . 1 1 90 90 GLY CA C 81 45.600 45.600 47.161 -1.561 18219 6140 1 12 . 1 1 90 90 GLY H H 81 8.458 8.458 8.350 0.108 18219 6141 1 12 . 1 1 91 91 LEU N N 82 121.043 121.043 121.334 -0.291 18219 6142 1 12 . 1 1 91 91 LEU HA H 82 4.200 4.200 4.008 0.192 18219 6143 1 12 . 1 1 91 91 LEU C C 82 174.783 174.783 178.770 -3.987 18219 6144 1 12 . 1 1 91 91 LEU CA C 82 56.300 56.300 58.801 -2.501 18219 6145 1 12 . 1 1 91 91 LEU CB C 82 42.106 42.106 42.084 0.022 18219 6146 1 12 . 1 1 91 91 LEU H H 82 7.687 7.687 7.801 -0.114 18219 6147 1 12 . 1 1 92 92 VAL N N 83 114.737 114.737 118.609 -3.872 18219 6148 1 12 . 1 1 92 92 VAL HA H 83 3.980 3.980 3.635 0.345 18219 6149 1 12 . 1 1 92 92 VAL C C 83 173.634 173.634 177.730 -4.096 18219 6150 1 12 . 1 1 92 92 VAL CA C 83 62.400 62.400 67.070 -4.670 18219 6151 1 12 . 1 1 92 92 VAL CB C 83 31.585 31.585 31.447 0.138 18219 6152 1 12 . 1 1 92 92 VAL H H 83 7.602 7.602 7.969 -0.367 18219 6153 1 12 . 1 1 93 93 ALA N N 84 124.320 124.320 121.241 3.079 18219 6154 1 12 . 1 1 93 93 ALA HA H 84 4.150 4.150 3.957 0.193 18219 6155 1 12 . 1 1 93 93 ALA C C 84 175.746 175.746 179.871 -4.125 18219 6156 1 12 . 1 1 93 93 ALA CA C 84 53.300 53.300 55.323 -2.023 18219 6157 1 12 . 1 1 93 93 ALA CB C 84 18.241 18.241 17.808 0.433 18219 6158 1 12 . 1 1 93 93 ALA H H 84 7.891 7.891 8.252 -0.361 18219 6159 1 12 . 1 1 94 94 GLY N N 85 106.807 106.807 107.022 -0.215 18219 6160 1 12 . 1 1 94 94 GLY C C 85 171.752 171.752 175.885 -4.133 18219 6161 1 12 . 1 1 94 94 GLY CA C 85 45.249 45.249 46.569 -1.320 18219 6162 1 12 . 1 1 94 94 GLY H H 85 8.204 8.204 7.924 0.280 18219 6163 1 12 . 1 1 95 95 LEU N N 86 121.266 121.266 121.869 -0.603 18219 6164 1 12 . 1 1 95 95 LEU HA H 86 4.380 4.380 4.057 0.323 18219 6165 1 12 . 1 1 95 95 LEU C C 86 173.702 173.702 178.827 -5.125 18219 6166 1 12 . 1 1 95 95 LEU CA C 86 55.000 55.000 57.466 -2.466 18219 6167 1 12 . 1 1 95 95 LEU CB C 86 42.298 42.298 40.839 1.459 18219 6168 1 12 . 1 1 95 95 LEU H H 86 7.718 7.718 7.969 -0.251 18219 6169 1 12 . 1 1 96 96 SER N N 87 115.658 115.658 115.412 0.246 18219 6170 1 12 . 1 1 96 96 SER HA H 87 4.370 4.370 4.198 0.172 18219 6171 1 12 . 1 1 96 96 SER C C 87 172.479 172.479 176.784 -4.305 18219 6172 1 12 . 1 1 96 96 SER CA C 87 57.200 57.200 61.878 -4.678 18219 6173 1 12 . 1 1 96 96 SER CB C 87 64.174 64.174 63.285 0.889 18219 6174 1 12 . 1 1 96 96 SER H H 87 7.659 7.659 8.103 -0.444 18219 6175 1 12 . 1 1 97 97 LEU N N 88 123.720 123.720 122.524 1.196 18219 6176 1 12 . 1 1 97 97 LEU HA H 88 4.600 4.600 4.050 0.550 18219 6177 1 12 . 1 1 97 97 LEU C C 88 175.932 175.932 179.369 -3.437 18219 6178 1 12 . 1 1 97 97 LEU CA C 88 57.600 57.600 57.813 -0.213 18219 6179 1 12 . 1 1 97 97 LEU CB C 88 41.400 41.400 41.078 0.322 18219 6180 1 12 . 1 1 97 97 LEU H H 88 8.733 8.733 8.256 0.477 18219 6181 1 12 . 1 1 98 98 MET N N 89 116.684 116.684 120.161 -3.477 18219 6182 1 12 . 1 1 98 98 MET HA H 89 4.280 4.280 4.137 0.143 18219 6183 1 12 . 1 1 98 98 MET C C 89 175.789 175.789 177.707 -1.918 18219 6184 1 12 . 1 1 98 98 MET CA C 89 56.915 56.915 59.175 -2.260 18219 6185 1 12 . 1 1 98 98 MET CB C 89 31.007 31.007 32.705 -1.698 18219 6186 1 12 . 1 1 98 98 MET H H 89 8.342 8.342 8.301 0.041 18219 6187 1 12 . 1 1 99 99 MET N N 90 119.182 119.182 118.682 0.500 18219 6188 1 12 . 1 1 99 99 MET HA H 90 4.110 4.110 4.204 -0.094 18219 6189 1 12 . 1 1 99 99 MET C C 90 175.588 175.588 178.701 -3.113 18219 6190 1 12 . 1 1 99 99 MET CA C 90 57.951 57.951 58.509 -0.558 18219 6191 1 12 . 1 1 99 99 MET CB C 90 32.226 32.226 31.861 0.365 18219 6192 1 12 . 1 1 99 99 MET H H 90 7.720 7.720 8.217 -0.497 18219 6193 1 12 . 1 1 100 100 ILE N N 91 119.077 119.077 119.821 -0.744 18219 6194 1 12 . 1 1 100 100 ILE HA H 91 4.110 4.110 3.971 0.139 18219 6195 1 12 . 1 1 100 100 ILE C C 91 174.634 174.634 176.993 -2.359 18219 6196 1 12 . 1 1 100 100 ILE CA C 91 64.100 64.100 64.229 -0.129 18219 6197 1 12 . 1 1 100 100 ILE CB C 91 37.143 37.143 38.605 -1.462 18219 6198 1 12 . 1 1 100 100 ILE H H 91 7.662 7.662 8.269 -0.607 18219 6199 1 12 . 1 1 101 101 LEU N N 92 119.646 119.646 120.938 -1.292 18219 6200 1 12 . 1 1 101 101 LEU HA H 92 4.530 4.530 3.961 0.569 18219 6201 1 12 . 1 1 101 101 LEU C C 92 175.430 175.430 178.511 -3.081 18219 6202 1 12 . 1 1 101 101 LEU CA C 92 57.800 57.800 57.837 -0.037 18219 6203 1 12 . 1 1 101 101 LEU CB C 92 40.758 40.758 41.684 -0.926 18219 6204 1 12 . 1 1 101 101 LEU H H 92 8.142 8.142 7.719 0.423 18219 6205 1 12 . 1 1 102 102 ARG N N 93 116.394 116.394 117.918 -1.524 18219 6206 1 12 . 1 1 102 102 ARG HA H 93 4.140 4.140 4.213 -0.073 18219 6207 1 12 . 1 1 102 102 ARG C C 93 175.961 175.961 177.993 -2.032 18219 6208 1 12 . 1 1 102 102 ARG CA C 93 59.100 59.100 58.465 0.635 18219 6209 1 12 . 1 1 102 102 ARG CB C 93 29.404 29.404 31.104 -1.700 18219 6210 1 12 . 1 1 102 102 ARG H H 93 7.893 7.893 8.321 -0.428 18219 6211 1 12 . 1 1 103 103 LEU N N 94 119.114 119.114 122.051 -2.937 18219 6212 1 12 . 1 1 103 103 LEU HA H 94 4.110 4.110 4.054 0.056 18219 6213 1 12 . 1 1 103 103 LEU C C 94 175.889 175.889 178.217 -2.328 18219 6214 1 12 . 1 1 103 103 LEU CA C 94 57.300 57.300 57.901 -0.601 18219 6215 1 12 . 1 1 103 103 LEU CB C 94 41.296 41.296 41.804 -0.508 18219 6216 1 12 . 1 1 103 103 LEU H H 94 7.622 7.622 7.971 -0.349 18219 6217 1 12 . 1 1 104 104 VAL N N 95 117.704 117.704 118.724 -1.020 18219 6218 1 12 . 1 1 104 104 VAL HA H 95 3.530 3.530 3.733 -0.203 18219 6219 1 12 . 1 1 104 104 VAL C C 95 175.042 175.042 177.387 -2.345 18219 6220 1 12 . 1 1 104 104 VAL CA C 95 66.419 66.419 65.654 0.765 18219 6221 1 12 . 1 1 104 104 VAL CB C 95 31.357 31.357 31.941 -0.584 18219 6222 1 12 . 1 1 104 104 VAL H H 95 8.026 8.026 8.216 -0.190 18219 6223 1 12 . 1 1 105 105 LEU N N 96 117.185 117.185 116.184 1.001 18219 6224 1 12 . 1 1 105 105 LEU HA H 96 3.980 3.980 4.261 -0.281 18219 6225 1 12 . 1 1 105 105 LEU C C 96 176.579 176.579 177.896 -1.317 18219 6226 1 12 . 1 1 105 105 LEU CA C 96 56.800 56.800 56.106 0.694 18219 6227 1 12 . 1 1 105 105 LEU CB C 96 40.951 40.951 42.516 -1.565 18219 6228 1 12 . 1 1 105 105 LEU H H 96 7.893 7.893 7.729 0.164 18219 6229 1 12 . 1 1 106 106 LEU N N 97 118.471 118.471 117.880 0.591 18219 6230 1 12 . 1 1 106 106 LEU HA H 97 4.180 4.180 3.937 0.243 18219 6231 1 12 . 1 1 106 106 LEU C C 97 175.802 175.802 176.820 -1.018 18219 6232 1 12 . 1 1 106 106 LEU CA C 97 56.300 56.300 56.334 -0.034 18219 6233 1 12 . 1 1 106 106 LEU CB C 97 41.592 41.592 40.916 0.676 18219 6234 1 12 . 1 1 106 106 LEU H H 97 7.545 7.545 8.241 -0.696 18219 6235 1 12 . 1 1 107 107 LEU N N 98 118.162 118.162 115.338 2.824 18219 6236 1 12 . 1 1 107 107 LEU HA H 98 4.230 4.230 4.455 -0.225 18219 6237 1 12 . 1 1 107 107 LEU C C 98 174.174 174.174 176.896 -2.722 18219 6238 1 12 . 1 1 107 107 LEU CA C 98 56.283 56.283 55.371 0.912 18219 6239 1 12 . 1 1 107 107 LEU CB C 98 42.362 42.362 42.534 -0.172 18219 6240 1 12 . 1 1 107 107 LEU H H 98 7.688 7.688 7.665 0.023 18219 6241 1 13 . 1 1 11 11 ASP N N 2 120.536 120.536 118.228 2.308 18219 6242 1 13 . 1 1 11 11 ASP CA C 2 55.918 55.918 54.400 1.518 18219 6243 1 13 . 1 1 11 11 ASP CB C 2 37.959 37.959 41.160 -3.201 18219 6244 1 13 . 1 1 11 11 ASP H H 2 7.863 7.863 8.028 -0.165 18219 6245 1 13 . 1 1 12 12 LEU N N 3 121.414 121.414 121.897 -0.483 18219 6246 1 13 . 1 1 12 12 LEU C C 3 176.162 176.162 179.478 -3.316 18219 6247 1 13 . 1 1 12 12 LEU CA C 3 57.600 57.600 56.581 1.019 18219 6248 1 13 . 1 1 12 12 LEU CB C 3 41.657 41.657 41.491 0.166 18219 6249 1 13 . 1 1 12 12 LEU H H 3 8.285 8.285 7.960 0.325 18219 6250 1 13 . 1 1 13 13 ILE N N 4 118.854 118.854 118.670 0.184 18219 6251 1 13 . 1 1 13 13 ILE HA H 4 3.740 3.740 3.869 -0.129 18219 6252 1 13 . 1 1 13 13 ILE C C 4 175.228 175.228 177.511 -2.283 18219 6253 1 13 . 1 1 13 13 ILE CA C 4 64.500 64.500 63.662 0.838 18219 6254 1 13 . 1 1 13 13 ILE CB C 4 37.102 37.102 37.946 -0.844 18219 6255 1 13 . 1 1 13 13 ILE H H 4 8.031 8.031 7.876 0.155 18219 6256 1 13 . 1 1 14 14 GLY N N 5 107.478 107.478 106.537 0.941 18219 6257 1 13 . 1 1 14 14 GLY C C 5 174.424 174.424 176.148 -1.724 18219 6258 1 13 . 1 1 14 14 GLY CA C 5 47.059 47.059 46.820 0.239 18219 6259 1 13 . 1 1 14 14 GLY H H 5 8.148 8.148 8.190 -0.042 18219 6260 1 13 . 1 1 15 15 PHE N N 6 122.774 122.774 123.933 -1.159 18219 6261 1 13 . 1 1 15 15 PHE HA H 6 4.480 4.480 4.320 0.160 18219 6262 1 13 . 1 1 15 15 PHE C C 6 175.113 175.113 177.341 -2.228 18219 6263 1 13 . 1 1 15 15 PHE CA C 6 60.017 60.017 61.811 -1.794 18219 6264 1 13 . 1 1 15 15 PHE CB C 6 38.774 38.774 38.926 -0.152 18219 6265 1 13 . 1 1 15 15 PHE H H 6 8.194 8.194 8.790 -0.596 18219 6266 1 13 . 1 1 16 16 GLY N N 7 107.938 107.938 107.222 0.716 18219 6267 1 13 . 1 1 16 16 GLY C C 7 171.838 171.838 175.737 -3.899 18219 6268 1 13 . 1 1 16 16 GLY CA C 7 47.100 47.100 47.679 -0.579 18219 6269 1 13 . 1 1 16 16 GLY H H 7 8.697 8.697 8.257 0.440 18219 6270 1 13 . 1 1 17 17 TYR N N 8 121.785 121.785 123.020 -1.235 18219 6271 1 13 . 1 1 17 17 TYR HA H 8 4.150 4.150 4.077 0.073 18219 6272 1 13 . 1 1 17 17 TYR C C 8 174.180 174.180 177.702 -3.522 18219 6273 1 13 . 1 1 17 17 TYR CA C 8 61.300 61.300 61.309 -0.010 18219 6274 1 13 . 1 1 17 17 TYR CB C 8 37.959 37.959 38.132 -0.173 18219 6275 1 13 . 1 1 17 17 TYR H H 8 8.710 8.710 8.300 0.410 18219 6276 1 13 . 1 1 18 18 ALA N N 9 120.233 120.233 119.322 0.911 18219 6277 1 13 . 1 1 18 18 ALA HA H 9 3.950 3.950 3.928 0.022 18219 6278 1 13 . 1 1 18 18 ALA C C 9 178.059 178.059 179.043 -0.984 18219 6279 1 13 . 1 1 18 18 ALA CA C 9 54.872 54.872 54.582 0.290 18219 6280 1 13 . 1 1 18 18 ALA CB C 9 17.562 17.562 17.309 0.253 18219 6281 1 13 . 1 1 18 18 ALA H H 9 7.843 7.843 8.205 -0.362 18219 6282 1 13 . 1 1 19 19 ALA N N 10 121.797 121.797 122.946 -1.149 18219 6283 1 13 . 1 1 19 19 ALA HA H 10 3.950 3.950 4.031 -0.081 18219 6284 1 13 . 1 1 19 19 ALA C C 10 176.191 176.191 179.411 -3.220 18219 6285 1 13 . 1 1 19 19 ALA CA C 10 54.600 54.600 54.815 -0.215 18219 6286 1 13 . 1 1 19 19 ALA CB C 10 17.562 17.562 18.263 -0.701 18219 6287 1 13 . 1 1 19 19 ALA H H 10 8.212 8.212 7.529 0.683 18219 6288 1 13 . 1 1 20 20 LEU N N 11 119.442 119.442 117.879 1.563 18219 6289 1 13 . 1 1 20 20 LEU HA H 11 3.937 3.937 4.015 -0.078 18219 6290 1 13 . 1 1 20 20 LEU C C 11 176.694 176.694 178.903 -2.209 18219 6291 1 13 . 1 1 20 20 LEU CA C 11 57.800 57.800 57.903 -0.103 18219 6292 1 13 . 1 1 20 20 LEU CB C 11 41.222 41.222 41.040 0.182 18219 6293 1 13 . 1 1 20 20 LEU H H 11 8.065 8.065 8.150 -0.085 18219 6294 1 13 . 1 1 21 21 VAL N N 12 118.323 118.323 120.167 -1.844 18219 6295 1 13 . 1 1 21 21 VAL HA H 12 3.640 3.640 3.532 0.108 18219 6296 1 13 . 1 1 21 21 VAL C C 12 176.536 176.536 178.560 -2.024 18219 6297 1 13 . 1 1 21 21 VAL CA C 12 65.400 65.400 66.816 -1.416 18219 6298 1 13 . 1 1 21 21 VAL CB C 12 31.135 31.135 30.455 0.680 18219 6299 1 13 . 1 1 21 21 VAL H H 12 8.051 8.051 8.466 -0.415 18219 6300 1 13 . 1 1 22 22 THR N N 13 118.298 118.298 116.786 1.512 18219 6301 1 13 . 1 1 22 22 THR HA H 13 4.660 4.660 4.000 0.660 18219 6302 1 13 . 1 1 22 22 THR C C 13 173.734 173.734 176.387 -2.653 18219 6303 1 13 . 1 1 22 22 THR CA C 13 66.300 66.300 67.062 -0.762 18219 6304 1 13 . 1 1 22 22 THR CB C 13 67.775 67.775 68.642 -0.867 18219 6305 1 13 . 1 1 22 22 THR H H 13 7.944 7.944 7.866 0.078 18219 6306 1 13 . 1 1 23 23 PHE N N 14 121.328 121.328 122.324 -0.996 18219 6307 1 13 . 1 1 23 23 PHE HA H 14 4.340 4.340 4.174 0.166 18219 6308 1 13 . 1 1 23 23 PHE C C 14 174.783 174.783 177.134 -2.351 18219 6309 1 13 . 1 1 23 23 PHE CA C 14 60.500 60.500 61.314 -0.814 18219 6310 1 13 . 1 1 23 23 PHE CB C 14 38.626 38.626 38.818 -0.192 18219 6311 1 13 . 1 1 23 23 PHE H H 14 8.567 8.567 8.373 0.194 18219 6312 1 13 . 1 1 24 24 GLY N N 15 106.871 106.871 105.313 1.558 18219 6313 1 13 . 1 1 24 24 GLY C C 15 172.858 172.858 176.773 -3.915 18219 6314 1 13 . 1 1 24 24 GLY CA C 15 46.900 46.900 47.093 -0.193 18219 6315 1 13 . 1 1 24 24 GLY H H 15 8.475 8.475 8.929 -0.454 18219 6316 1 13 . 1 1 25 25 SER N N 16 116.214 116.214 117.790 -1.576 18219 6317 1 13 . 1 1 25 25 SER HA H 16 4.280 4.280 4.198 0.082 18219 6318 1 13 . 1 1 25 25 SER CA C 16 60.300 60.300 61.791 -1.491 18219 6319 1 13 . 1 1 25 25 SER CB C 16 62.879 62.879 63.275 -0.396 18219 6320 1 13 . 1 1 25 25 SER H H 16 7.963 7.963 7.852 0.111 18219 6321 1 13 . 1 1 26 26 ILE N N 17 121.024 121.024 121.770 -0.746 18219 6322 1 13 . 1 1 26 26 ILE HA H 17 3.946 3.946 3.684 0.262 18219 6323 1 13 . 1 1 26 26 ILE C C 17 173.935 173.935 178.211 -4.276 18219 6324 1 13 . 1 1 26 26 ILE CA C 17 63.100 63.100 64.522 -1.422 18219 6325 1 13 . 1 1 26 26 ILE CB C 17 38.107 38.107 38.150 -0.043 18219 6326 1 13 . 1 1 26 26 ILE H H 17 7.676 7.676 7.912 -0.236 18219 6327 1 13 . 1 1 27 27 PHE N N 18 117.142 117.142 118.731 -1.589 18219 6328 1 13 . 1 1 27 27 PHE HA H 18 4.430 4.430 3.903 0.527 18219 6329 1 13 . 1 1 27 27 PHE C C 18 173.504 173.504 176.464 -2.960 18219 6330 1 13 . 1 1 27 27 PHE CA C 18 58.500 58.500 60.583 -2.083 18219 6331 1 13 . 1 1 27 27 PHE CB C 18 38.774 38.774 38.896 -0.122 18219 6332 1 13 . 1 1 27 27 PHE H H 18 7.703 7.703 8.032 -0.329 18219 6333 1 13 . 1 1 28 28 GLY N N 19 107.303 107.303 106.063 1.240 18219 6334 1 13 . 1 1 28 28 GLY C C 19 171.593 171.593 174.357 -2.764 18219 6335 1 13 . 1 1 28 28 GLY CA C 19 45.600 45.600 45.427 0.173 18219 6336 1 13 . 1 1 28 28 GLY H H 19 7.722 7.722 7.680 0.042 18219 6337 1 13 . 1 1 29 29 TYR N N 20 119.862 119.862 118.025 1.837 18219 6338 1 13 . 1 1 29 29 TYR HA H 20 4.392 4.392 4.146 0.246 18219 6339 1 13 . 1 1 29 29 TYR C C 20 173.174 173.174 175.022 -1.848 18219 6340 1 13 . 1 1 29 29 TYR CA C 20 58.500 58.500 58.212 0.287 18219 6341 1 13 . 1 1 29 29 TYR CB C 20 38.404 38.404 37.929 0.475 18219 6342 1 13 . 1 1 29 29 TYR H H 20 7.880 7.880 8.404 -0.524 18219 6343 1 13 . 1 1 30 30 LYS N N 21 122.335 122.335 123.675 -1.340 18219 6344 1 13 . 1 1 30 30 LYS HA H 21 4.390 4.390 3.988 0.402 18219 6345 1 13 . 1 1 30 30 LYS C C 21 173.547 173.547 176.781 -3.234 18219 6346 1 13 . 1 1 30 30 LYS CA C 21 55.800 55.800 56.950 -1.150 18219 6347 1 13 . 1 1 30 30 LYS CB C 21 32.396 32.396 32.968 -0.572 18219 6348 1 13 . 1 1 30 30 LYS H H 21 7.934 7.934 8.212 -0.278 18219 6349 1 13 . 1 1 31 31 ARG N N 22 120.612 120.612 122.871 -2.259 18219 6350 1 13 . 1 1 31 31 ARG C C 22 173.547 173.547 175.881 -2.334 18219 6351 1 13 . 1 1 31 31 ARG CA C 22 55.834 55.834 56.009 -0.175 18219 6352 1 13 . 1 1 31 31 ARG CB C 22 30.101 30.101 30.719 -0.618 18219 6353 1 13 . 1 1 31 31 ARG H H 22 7.905 7.905 8.604 -0.699 18219 6354 1 13 . 1 1 32 32 ARG N N 23 121.748 121.748 122.986 -1.238 18219 6355 1 13 . 1 1 32 32 ARG HA H 23 4.310 4.310 4.409 -0.099 18219 6356 1 13 . 1 1 32 32 ARG C C 23 173.863 173.863 176.071 -2.208 18219 6357 1 13 . 1 1 32 32 ARG CA C 23 55.800 55.800 56.700 -0.900 18219 6358 1 13 . 1 1 32 32 ARG CB C 23 30.245 30.245 30.674 -0.429 18219 6359 1 13 . 1 1 32 32 ARG H H 23 8.175 8.175 8.473 -0.298 18219 6360 1 13 . 1 1 33 33 GLY N N 24 109.528 109.528 104.564 4.964 18219 6361 1 13 . 1 1 33 33 GLY C C 24 171.752 171.752 173.055 -1.303 18219 6362 1 13 . 1 1 33 33 GLY CA C 24 44.900 44.900 45.080 -0.180 18219 6363 1 13 . 1 1 33 33 GLY H H 24 8.264 8.264 8.191 0.073 18219 6364 1 13 . 1 1 34 34 GLY N N 25 108.563 108.563 108.383 0.180 18219 6365 1 13 . 1 1 34 34 GLY C C 25 171.701 171.701 174.501 -2.800 18219 6366 1 13 . 1 1 34 34 GLY CA C 25 44.600 44.600 44.660 -0.060 18219 6367 1 13 . 1 1 34 34 GLY H H 25 8.208 8.208 8.074 0.134 18219 6368 1 13 . 1 1 35 35 VAL N N 26 121.164 121.164 121.994 -0.830 18219 6369 1 13 . 1 1 35 35 VAL HA H 26 4.010 4.010 3.976 0.034 18219 6370 1 13 . 1 1 35 35 VAL C C 26 175.888 175.888 175.718 0.170 18219 6371 1 13 . 1 1 35 35 VAL CA C 26 63.900 63.900 65.178 -1.278 18219 6372 1 13 . 1 1 35 35 VAL CB C 26 30.690 30.690 31.620 -0.930 18219 6373 1 13 . 1 1 35 35 VAL H H 26 8.485 8.485 8.295 0.190 18219 6374 1 13 . 1 1 36 36 PRO C C 27 177.660 177.660 175.527 2.133 18219 6375 1 13 . 1 1 36 36 PRO CA C 27 61.847 61.847 63.250 -1.403 18219 6376 1 13 . 1 1 37 37 SER N N 28 116.023 116.023 116.354 -0.331 18219 6377 1 13 . 1 1 37 37 SER HA H 28 4.280 4.280 4.653 -0.373 18219 6378 1 13 . 1 1 37 37 SER CA C 28 61.100 61.100 59.717 1.383 18219 6379 1 13 . 1 1 37 37 SER H H 28 7.948 7.948 8.314 -0.366 18219 6380 1 13 . 1 1 38 38 LEU N N 29 124.029 124.029 122.053 1.976 18219 6381 1 13 . 1 1 38 38 LEU HA H 29 4.170 4.170 4.039 0.131 18219 6382 1 13 . 1 1 38 38 LEU C C 29 176.132 176.132 178.377 -2.245 18219 6383 1 13 . 1 1 38 38 LEU CA C 29 57.500 57.500 58.224 -0.724 18219 6384 1 13 . 1 1 38 38 LEU CB C 29 42.038 42.038 40.989 1.049 18219 6385 1 13 . 1 1 38 38 LEU H H 29 8.201 8.201 7.869 0.332 18219 6386 1 13 . 1 1 39 39 ILE N N 30 117.098 117.098 119.614 -2.516 18219 6387 1 13 . 1 1 39 39 ILE HA H 30 4.370 4.370 3.681 0.689 18219 6388 1 13 . 1 1 39 39 ILE C C 30 176.478 176.478 177.670 -1.192 18219 6389 1 13 . 1 1 39 39 ILE CA C 30 63.079 63.079 63.953 -0.874 18219 6390 1 13 . 1 1 39 39 ILE CB C 30 36.973 36.973 36.886 0.087 18219 6391 1 13 . 1 1 39 39 ILE H H 30 7.662 7.662 8.368 -0.706 18219 6392 1 13 . 1 1 40 40 ALA N N 31 122.447 122.447 122.782 -0.335 18219 6393 1 13 . 1 1 40 40 ALA HA H 31 4.034 4.034 4.004 0.030 18219 6394 1 13 . 1 1 40 40 ALA C C 31 177.067 177.067 179.822 -2.755 18219 6395 1 13 . 1 1 40 40 ALA CA C 31 55.962 55.962 55.337 0.625 18219 6396 1 13 . 1 1 40 40 ALA CB C 31 17.856 17.856 18.114 -0.258 18219 6397 1 13 . 1 1 40 40 ALA H H 31 8.096 8.096 7.275 0.821 18219 6398 1 13 . 1 1 41 41 GLY N N 32 104.056 104.056 107.507 -3.451 18219 6399 1 13 . 1 1 41 41 GLY C C 32 174.251 174.251 176.036 -1.785 18219 6400 1 13 . 1 1 41 41 GLY CA C 32 46.500 46.500 46.923 -0.423 18219 6401 1 13 . 1 1 41 41 GLY H H 32 8.123 8.123 8.168 -0.045 18219 6402 1 13 . 1 1 42 42 LEU N N 33 123.250 123.250 123.043 0.207 18219 6403 1 13 . 1 1 42 42 LEU HA H 33 3.857 3.857 3.930 -0.073 18219 6404 1 13 . 1 1 42 42 LEU C C 33 176.033 176.033 178.476 -2.443 18219 6405 1 13 . 1 1 42 42 LEU CA C 33 56.668 56.668 58.189 -1.521 18219 6406 1 13 . 1 1 42 42 LEU CB C 33 41.721 41.721 42.000 -0.279 18219 6407 1 13 . 1 1 42 42 LEU H H 33 7.914 7.914 8.492 -0.578 18219 6408 1 13 . 1 1 43 43 PHE N N 34 119.757 119.757 118.665 1.092 18219 6409 1 13 . 1 1 43 43 PHE HA H 34 4.200 4.200 4.036 0.164 18219 6410 1 13 . 1 1 43 43 PHE C C 34 174.374 174.374 177.516 -3.142 18219 6411 1 13 . 1 1 43 43 PHE CA C 34 59.876 59.876 62.424 -2.548 18219 6412 1 13 . 1 1 43 43 PHE CB C 34 38.834 38.834 38.922 -0.089 18219 6413 1 13 . 1 1 43 43 PHE H H 34 8.287 8.287 8.587 -0.300 18219 6414 1 13 . 1 1 44 44 VAL N N 35 117.791 117.791 118.287 -0.496 18219 6415 1 13 . 1 1 44 44 VAL HA H 35 3.610 3.610 3.767 -0.157 18219 6416 1 13 . 1 1 44 44 VAL C C 35 176.205 176.205 178.645 -2.440 18219 6417 1 13 . 1 1 44 44 VAL CA C 35 64.559 64.559 65.427 -0.868 18219 6418 1 13 . 1 1 44 44 VAL CB C 35 31.432 31.432 30.762 0.670 18219 6419 1 13 . 1 1 44 44 VAL H H 35 8.235 8.235 8.295 -0.060 18219 6420 1 13 . 1 1 45 45 GLY N N 36 108.551 108.551 107.733 0.818 18219 6421 1 13 . 1 1 45 45 GLY C C 36 173.749 173.749 175.879 -2.130 18219 6422 1 13 . 1 1 45 45 GLY CA C 36 46.083 46.083 47.250 -1.167 18219 6423 1 13 . 1 1 45 45 GLY H H 36 8.178 8.178 8.534 -0.356 18219 6424 1 13 . 1 1 46 46 CYS N N 37 121.173 121.173 122.581 -1.408 18219 6425 1 13 . 1 1 46 46 CYS HA H 37 4.180 4.180 4.079 0.101 18219 6426 1 13 . 1 1 46 46 CYS C C 37 173.710 173.710 176.706 -2.996 18219 6427 1 13 . 1 1 46 46 CYS CA C 37 63.000 63.000 63.855 -0.855 18219 6428 1 13 . 1 1 46 46 CYS CB C 37 60.283 60.283 27.690 32.593 18219 6429 1 13 . 1 1 46 46 CYS H H 37 8.253 8.253 8.118 0.135 18219 6430 1 13 . 1 1 47 47 LEU N N 38 120.283 120.283 119.134 1.149 18219 6431 1 13 . 1 1 47 47 LEU HA H 38 4.060 4.060 4.001 0.059 18219 6432 1 13 . 1 1 47 47 LEU C C 38 176.679 176.679 178.398 -1.719 18219 6433 1 13 . 1 1 47 47 LEU CA C 38 56.027 56.027 58.173 -2.146 18219 6434 1 13 . 1 1 47 47 LEU CB C 38 41.464 41.464 40.625 0.839 18219 6435 1 13 . 1 1 47 47 LEU H H 38 7.965 7.965 8.448 -0.483 18219 6436 1 13 . 1 1 48 48 ALA N N 39 122.249 122.249 122.854 -0.605 18219 6437 1 13 . 1 1 48 48 ALA HA H 39 4.142 4.142 4.023 0.119 18219 6438 1 13 . 1 1 48 48 ALA C C 39 177.915 177.915 179.568 -1.653 18219 6439 1 13 . 1 1 48 48 ALA CA C 39 53.717 53.717 55.292 -1.575 18219 6440 1 13 . 1 1 48 48 ALA CB C 39 17.985 17.985 17.956 0.030 18219 6441 1 13 . 1 1 48 48 ALA H H 39 8.066 8.066 8.188 -0.122 18219 6442 1 13 . 1 1 49 49 GLY N N 40 107.377 107.377 107.186 0.191 18219 6443 1 13 . 1 1 49 49 GLY C C 40 172.527 172.527 176.010 -3.483 18219 6444 1 13 . 1 1 49 49 GLY CA C 40 45.450 45.450 46.981 -1.531 18219 6445 1 13 . 1 1 49 49 GLY H H 40 8.172 8.172 8.162 0.010 18219 6446 1 13 . 1 1 50 50 TYR N N 41 122.409 122.409 123.257 -0.848 18219 6447 1 13 . 1 1 50 50 TYR HA H 41 3.799 3.799 4.118 -0.319 18219 6448 1 13 . 1 1 50 50 TYR C C 41 174.208 174.208 177.105 -2.897 18219 6449 1 13 . 1 1 50 50 TYR CA C 41 59.245 59.245 61.171 -1.926 18219 6450 1 13 . 1 1 50 50 TYR CB C 41 37.936 37.936 38.289 -0.353 18219 6451 1 13 . 1 1 50 50 TYR H H 41 7.800 7.800 8.397 -0.597 18219 6452 1 13 . 1 1 51 51 GLY N N 42 106.935 106.935 105.348 1.587 18219 6453 1 13 . 1 1 51 51 GLY C C 42 172.642 172.642 175.735 -3.093 18219 6454 1 13 . 1 1 51 51 GLY CA C 42 46.265 46.265 45.713 0.552 18219 6455 1 13 . 1 1 51 51 GLY H H 42 8.199 8.199 7.964 0.235 18219 6456 1 13 . 1 1 52 52 ALA N N 43 123.018 123.018 125.054 -2.036 18219 6457 1 13 . 1 1 52 52 ALA HA H 43 4.150 4.150 4.166 -0.016 18219 6458 1 13 . 1 1 52 52 ALA C C 43 176.398 176.398 177.200 -0.802 18219 6459 1 13 . 1 1 52 52 ALA CA C 43 52.883 52.883 52.524 0.359 18219 6460 1 13 . 1 1 52 52 ALA CB C 43 18.241 18.241 18.930 -0.689 18219 6461 1 13 . 1 1 52 52 ALA H H 43 7.758 7.758 7.909 -0.151 18219 6462 1 13 . 1 1 53 53 TYR N N 44 119.664 119.664 120.850 -1.186 18219 6463 1 13 . 1 1 53 53 TYR HA H 44 4.318 4.318 4.167 0.151 18219 6464 1 13 . 1 1 53 53 TYR C C 44 174.180 174.180 175.391 -1.211 18219 6465 1 13 . 1 1 53 53 TYR CA C 44 58.593 58.593 59.937 -1.344 18219 6466 1 13 . 1 1 53 53 TYR CB C 44 38.192 38.192 37.589 0.603 18219 6467 1 13 . 1 1 53 53 TYR H H 44 7.920 7.920 7.962 -0.042 18219 6468 1 13 . 1 1 54 54 ARG N N 45 119.516 119.516 125.024 -5.508 18219 6469 1 13 . 1 1 54 54 ARG HA H 45 3.930 3.930 3.865 0.065 18219 6470 1 13 . 1 1 54 54 ARG C C 45 174.423 174.423 175.485 -1.062 18219 6471 1 13 . 1 1 54 54 ARG CA C 45 56.027 56.027 57.743 -1.716 18219 6472 1 13 . 1 1 54 54 ARG CB C 45 30.173 30.173 29.501 0.672 18219 6473 1 13 . 1 1 54 54 ARG H H 45 7.956 7.956 8.603 -0.647 18219 6474 1 13 . 1 1 55 55 VAL N N 46 116.437 116.437 115.010 1.427 18219 6475 1 13 . 1 1 55 55 VAL HA H 46 4.060 4.060 3.604 0.456 18219 6476 1 13 . 1 1 55 55 VAL C C 46 173.806 173.806 175.311 -1.505 18219 6477 1 13 . 1 1 55 55 VAL CA C 46 62.300 62.300 64.494 -2.194 18219 6478 1 13 . 1 1 55 55 VAL CB C 46 31.521 31.521 31.110 0.411 18219 6479 1 13 . 1 1 55 55 VAL H H 46 7.489 7.489 8.013 -0.524 18219 6480 1 13 . 1 1 56 56 SER N N 47 117.185 117.185 114.457 2.728 18219 6481 1 13 . 1 1 56 56 SER HA H 47 4.401 4.401 4.456 -0.055 18219 6482 1 13 . 1 1 56 56 SER C C 47 172.074 172.074 174.543 -2.469 18219 6483 1 13 . 1 1 56 56 SER CA C 47 58.133 58.133 59.409 -1.276 18219 6484 1 13 . 1 1 56 56 SER CB C 47 63.468 63.468 62.757 0.711 18219 6485 1 13 . 1 1 56 56 SER H H 47 7.728 7.728 8.076 -0.348 18219 6486 1 13 . 1 1 57 57 ASN N N 48 121.049 121.049 119.593 1.456 18219 6487 1 13 . 1 1 57 57 ASN HA H 48 4.590 4.590 4.762 -0.172 18219 6488 1 13 . 1 1 57 57 ASN CA C 48 53.600 53.600 54.556 -0.956 18219 6489 1 13 . 1 1 57 57 ASN CB C 48 38.641 38.641 39.703 -1.062 18219 6490 1 13 . 1 1 57 57 ASN H H 48 8.228 8.228 7.806 0.422 18219 6491 1 13 . 1 1 58 58 ASP N N 49 120.276 120.276 118.594 1.682 18219 6492 1 13 . 1 1 58 58 ASP HA H 49 4.530 4.530 4.696 -0.166 18219 6493 1 13 . 1 1 58 58 ASP CA C 49 54.202 54.202 53.103 1.099 18219 6494 1 13 . 1 1 58 58 ASP CB C 49 40.374 40.374 42.035 -1.661 18219 6495 1 13 . 1 1 58 58 ASP H H 49 8.192 8.192 7.974 0.218 18219 6496 1 13 . 1 1 59 59 LYS N N 50 120.660 120.660 118.171 2.489 18219 6497 1 13 . 1 1 59 59 LYS HA H 50 4.200 4.200 3.965 0.235 18219 6498 1 13 . 1 1 59 59 LYS C C 50 173.474 173.474 176.665 -3.191 18219 6499 1 13 . 1 1 59 59 LYS CA C 50 56.300 56.300 58.357 -2.057 18219 6500 1 13 . 1 1 59 59 LYS CB C 50 32.034 32.034 31.097 0.937 18219 6501 1 13 . 1 1 59 59 LYS H H 50 8.003 8.003 8.152 -0.149 18219 6502 1 13 . 1 1 60 60 ARG N N 51 121.278 121.278 120.278 1.000 18219 6503 1 13 . 1 1 60 60 ARG HA H 51 4.200 4.200 4.107 0.093 18219 6504 1 13 . 1 1 60 60 ARG C C 51 173.303 173.303 175.524 -2.221 18219 6505 1 13 . 1 1 60 60 ARG CA C 51 56.283 56.283 57.386 -1.103 18219 6506 1 13 . 1 1 60 60 ARG CB C 51 30.238 30.238 30.462 -0.224 18219 6507 1 13 . 1 1 60 60 ARG H H 51 8.091 8.091 8.390 -0.299 18219 6508 1 13 . 1 1 61 61 ASP N N 52 121.185 121.185 118.901 2.284 18219 6509 1 13 . 1 1 61 61 ASP HA H 52 4.615 4.615 4.720 -0.105 18219 6510 1 13 . 1 1 61 61 ASP C C 52 173.777 173.777 178.221 -4.444 18219 6511 1 13 . 1 1 61 61 ASP CA C 52 53.979 53.979 56.498 -2.519 18219 6512 1 13 . 1 1 61 61 ASP CB C 52 40.245 40.245 41.537 -1.292 18219 6513 1 13 . 1 1 61 61 ASP H H 52 8.261 8.261 8.336 -0.075 18219 6514 1 13 . 1 1 62 62 VAL N N 53 121.902 121.902 119.483 2.419 18219 6515 1 13 . 1 1 62 62 VAL HA H 53 3.950 3.950 3.739 0.211 18219 6516 1 13 . 1 1 62 62 VAL C C 53 173.279 173.279 177.921 -4.642 18219 6517 1 13 . 1 1 62 62 VAL CA C 53 63.176 63.176 66.383 -3.207 18219 6518 1 13 . 1 1 62 62 VAL CB C 53 32.099 32.099 31.544 0.555 18219 6519 1 13 . 1 1 62 62 VAL H H 53 7.997 7.997 8.230 -0.233 18219 6520 1 13 . 1 1 63 63 LYS N N 54 123.522 123.522 119.268 4.254 18219 6521 1 13 . 1 1 63 63 LYS HA H 54 4.260 4.260 4.146 0.114 18219 6522 1 13 . 1 1 63 63 LYS C C 54 174.481 174.481 178.496 -4.015 18219 6523 1 13 . 1 1 63 63 LYS CA C 54 56.347 56.347 59.709 -3.362 18219 6524 1 13 . 1 1 63 63 LYS CB C 54 32.099 32.099 32.124 -0.025 18219 6525 1 13 . 1 1 63 63 LYS H H 54 8.054 8.054 7.892 0.162 18219 6526 1 13 . 1 1 64 64 VAL N N 55 120.647 120.647 119.918 0.729 18219 6527 1 13 . 1 1 64 64 VAL HA H 55 3.947 3.947 4.005 -0.058 18219 6528 1 13 . 1 1 64 64 VAL C C 55 174.955 174.955 177.862 -2.907 18219 6529 1 13 . 1 1 64 64 VAL CA C 55 64.600 64.600 64.150 0.450 18219 6530 1 13 . 1 1 64 64 VAL CB C 55 31.877 31.877 31.156 0.721 18219 6531 1 13 . 1 1 64 64 VAL H H 55 8.225 8.225 8.354 -0.129 18219 6532 1 13 . 1 1 65 65 SER N N 56 117.785 117.785 117.326 0.459 18219 6533 1 13 . 1 1 65 65 SER HA H 56 4.390 4.390 4.187 0.203 18219 6534 1 13 . 1 1 65 65 SER C C 56 172.300 172.300 176.561 -4.261 18219 6535 1 13 . 1 1 65 65 SER CA C 56 60.000 60.000 62.652 -2.652 18219 6536 1 13 . 1 1 65 65 SER CB C 56 62.879 62.879 63.067 -0.188 18219 6537 1 13 . 1 1 65 65 SER H H 56 8.260 8.260 8.271 -0.011 18219 6538 1 13 . 1 1 66 66 LEU N N 57 123.318 123.318 122.432 0.886 18219 6539 1 13 . 1 1 66 66 LEU HA H 57 4.090 4.090 4.136 -0.046 18219 6540 1 13 . 1 1 66 66 LEU C C 57 175.932 175.932 178.233 -2.301 18219 6541 1 13 . 1 1 66 66 LEU CA C 57 57.502 57.502 58.436 -0.934 18219 6542 1 13 . 1 1 66 66 LEU CB C 57 41.721 41.721 42.361 -0.640 18219 6543 1 13 . 1 1 66 66 LEU H H 57 8.091 8.091 8.162 -0.071 18219 6544 1 13 . 1 1 67 67 PHE N N 58 118.020 118.020 118.585 -0.565 18219 6545 1 13 . 1 1 67 67 PHE HA H 58 4.330 4.330 4.244 0.086 18219 6546 1 13 . 1 1 67 67 PHE C C 58 174.912 174.912 177.494 -2.582 18219 6547 1 13 . 1 1 67 67 PHE CA C 58 60.600 60.600 61.861 -1.261 18219 6548 1 13 . 1 1 67 67 PHE CB C 58 38.552 38.552 39.076 -0.524 18219 6549 1 13 . 1 1 67 67 PHE H H 58 8.066 8.066 8.585 -0.519 18219 6550 1 13 . 1 1 68 68 THR N N 59 115.324 115.324 116.578 -1.254 18219 6551 1 13 . 1 1 68 68 THR HA H 59 4.310 4.310 4.190 0.120 18219 6552 1 13 . 1 1 68 68 THR C C 59 173.380 173.380 176.327 -2.947 18219 6553 1 13 . 1 1 68 68 THR CA C 59 66.313 66.313 66.736 -0.423 18219 6554 1 13 . 1 1 68 68 THR CB C 59 67.700 67.700 68.775 -1.075 18219 6555 1 13 . 1 1 68 68 THR H H 59 8.287 8.287 8.116 0.171 18219 6556 1 13 . 1 1 69 69 ALA N N 60 123.621 123.621 124.676 -1.055 18219 6557 1 13 . 1 1 69 69 ALA HA H 60 4.280 4.280 4.093 0.187 18219 6558 1 13 . 1 1 69 69 ALA C C 60 176.978 176.978 180.016 -3.038 18219 6559 1 13 . 1 1 69 69 ALA CA C 60 55.100 55.100 55.213 -0.113 18219 6560 1 13 . 1 1 69 69 ALA CB C 60 17.728 17.728 18.088 -0.360 18219 6561 1 13 . 1 1 69 69 ALA H H 60 7.983 7.983 8.107 -0.124 18219 6562 1 13 . 1 1 70 70 PHE N N 61 118.520 118.520 118.120 0.400 18219 6563 1 13 . 1 1 70 70 PHE HA H 61 4.260 4.260 4.144 0.116 18219 6564 1 13 . 1 1 70 70 PHE C C 61 175.369 175.369 177.553 -2.184 18219 6565 1 13 . 1 1 70 70 PHE CA C 61 60.179 60.179 61.656 -1.477 18219 6566 1 13 . 1 1 70 70 PHE CB C 61 38.706 38.706 38.734 -0.028 18219 6567 1 13 . 1 1 70 70 PHE H H 61 8.007 8.007 8.692 -0.685 18219 6568 1 13 . 1 1 71 71 PHE N N 62 122.314 122.314 120.267 2.047 18219 6569 1 13 . 1 1 71 71 PHE HA H 62 4.000 4.000 4.033 -0.033 18219 6570 1 13 . 1 1 71 71 PHE C C 62 174.697 174.697 177.285 -2.588 18219 6571 1 13 . 1 1 71 71 PHE CA C 62 60.517 60.517 61.929 -1.412 18219 6572 1 13 . 1 1 71 71 PHE CB C 62 38.770 38.770 38.975 -0.205 18219 6573 1 13 . 1 1 71 71 PHE H H 62 8.546 8.546 8.082 0.464 18219 6574 1 13 . 1 1 72 72 LEU N N 63 119.399 119.399 120.478 -1.079 18219 6575 1 13 . 1 1 72 72 LEU HA H 63 3.870 3.870 3.679 0.191 18219 6576 1 13 . 1 1 72 72 LEU C C 63 175.774 175.774 178.396 -2.622 18219 6577 1 13 . 1 1 72 72 LEU CA C 63 56.925 56.925 58.660 -1.735 18219 6578 1 13 . 1 1 72 72 LEU CB C 63 41.207 41.207 41.437 -0.230 18219 6579 1 13 . 1 1 72 72 LEU H H 63 8.396 8.396 8.905 -0.509 18219 6580 1 13 . 1 1 73 73 ALA N N 64 120.221 120.221 119.925 0.296 18219 6581 1 13 . 1 1 73 73 ALA HA H 64 3.960 3.960 3.809 0.151 18219 6582 1 13 . 1 1 73 73 ALA C C 64 177.267 177.267 179.390 -2.123 18219 6583 1 13 . 1 1 73 73 ALA CA C 64 54.600 54.600 55.505 -0.905 18219 6584 1 13 . 1 1 73 73 ALA CB C 64 17.784 17.784 17.788 -0.003 18219 6585 1 13 . 1 1 73 73 ALA H H 64 8.025 8.025 8.296 -0.271 18219 6586 1 13 . 1 1 74 74 THR N N 65 113.648 113.648 115.479 -1.831 18219 6587 1 13 . 1 1 74 74 THR HA H 65 3.980 3.980 3.943 0.037 18219 6588 1 13 . 1 1 74 74 THR CA C 65 66.291 66.291 66.612 -0.321 18219 6589 1 13 . 1 1 74 74 THR CB C 65 67.914 67.914 68.750 -0.836 18219 6590 1 13 . 1 1 74 74 THR H H 65 7.717 7.717 7.678 0.039 18219 6591 1 13 . 1 1 75 75 ILE N N 66 120.291 120.291 119.784 0.507 18219 6592 1 13 . 1 1 75 75 ILE HA H 66 3.740 3.740 3.445 0.295 18219 6593 1 13 . 1 1 75 75 ILE C C 66 174.951 174.951 177.998 -3.047 18219 6594 1 13 . 1 1 75 75 ILE CA C 66 64.880 64.880 64.021 0.859 18219 6595 1 13 . 1 1 75 75 ILE CB C 66 37.166 37.166 37.416 -0.250 18219 6596 1 13 . 1 1 75 75 ILE H H 66 7.738 7.738 7.823 -0.085 18219 6597 1 13 . 1 1 76 76 MET N N 67 117.618 117.618 117.444 0.174 18219 6598 1 13 . 1 1 76 76 MET HA H 67 4.220 4.220 4.114 0.106 18219 6599 1 13 . 1 1 76 76 MET C C 67 175.142 175.142 177.558 -2.416 18219 6600 1 13 . 1 1 76 76 MET CA C 67 56.723 56.723 57.906 -1.183 18219 6601 1 13 . 1 1 76 76 MET CB C 67 31.951 31.951 33.585 -1.634 18219 6602 1 13 . 1 1 76 76 MET H H 67 7.823 7.823 8.356 -0.533 18219 6603 1 13 . 1 1 77 77 GLY N N 68 107.110 107.110 105.771 1.339 18219 6604 1 13 . 1 1 77 77 GLY C C 68 172.260 172.260 175.677 -3.417 18219 6605 1 13 . 1 1 77 77 GLY CA C 68 45.800 45.800 45.493 0.307 18219 6606 1 13 . 1 1 77 77 GLY H H 68 7.937 7.937 8.387 -0.450 18219 6607 1 13 . 1 1 78 78 VAL N N 69 120.431 120.431 118.319 2.112 18219 6608 1 13 . 1 1 78 78 VAL HA H 69 4.220 4.220 3.676 0.544 18219 6609 1 13 . 1 1 78 78 VAL CA C 69 63.900 63.900 65.195 -1.295 18219 6610 1 13 . 1 1 78 78 VAL CB C 69 31.506 31.506 31.896 -0.390 18219 6611 1 13 . 1 1 78 78 VAL H H 69 7.697 7.697 8.195 -0.498 18219 6612 1 13 . 1 1 79 79 ARG N N 70 121.420 121.420 115.700 5.720 18219 6613 1 13 . 1 1 79 79 ARG HA H 70 3.810 3.810 4.445 -0.635 18219 6614 1 13 . 1 1 79 79 ARG CA C 70 56.400 56.400 55.888 0.512 18219 6615 1 13 . 1 1 79 79 ARG CB C 70 30.097 30.097 32.436 -2.339 18219 6616 1 13 . 1 1 79 79 ARG H H 70 7.889 7.889 7.668 0.221 18219 6617 1 13 . 1 1 80 80 PHE N N 71 119.949 119.949 125.682 -5.733 18219 6618 1 13 . 1 1 80 80 PHE HA H 71 4.510 4.510 4.675 -0.165 18219 6619 1 13 . 1 1 80 80 PHE CA C 71 58.600 58.600 57.494 1.106 18219 6620 1 13 . 1 1 80 80 PHE CB C 71 39.145 39.145 38.669 0.476 18219 6621 1 13 . 1 1 80 80 PHE H H 71 8.101 8.101 8.816 -0.715 18219 6622 1 13 . 1 1 81 81 LYS N N 72 122.193 122.193 125.624 -3.431 18219 6623 1 13 . 1 1 81 81 LYS CA C 72 56.800 56.800 56.876 -0.076 18219 6624 1 13 . 1 1 81 81 LYS CB C 72 32.322 32.322 34.213 -1.891 18219 6625 1 13 . 1 1 81 81 LYS H H 72 8.090 8.090 7.971 0.119 18219 6626 1 13 . 1 1 82 82 ARG N N 73 119.650 119.650 125.156 -5.506 18219 6627 1 13 . 1 1 82 82 ARG CA C 73 56.089 56.089 56.767 -0.678 18219 6628 1 13 . 1 1 82 82 ARG CB C 73 30.171 30.171 28.719 1.452 18219 6629 1 13 . 1 1 82 82 ARG H H 73 8.052 8.052 8.693 -0.641 18219 6630 1 13 . 1 1 83 83 SER N N 74 115.734 115.734 115.999 -0.265 18219 6631 1 13 . 1 1 83 83 SER CA C 74 58.355 58.355 58.999 -0.644 18219 6632 1 13 . 1 1 83 83 SER CB C 74 63.404 63.404 63.730 -0.326 18219 6633 1 13 . 1 1 83 83 SER H H 74 7.912 7.912 8.365 -0.453 18219 6634 1 13 . 1 1 84 84 LYS N N 75 122.370 122.370 121.763 0.607 18219 6635 1 13 . 1 1 84 84 LYS CA C 75 56.135 56.135 58.044 -1.909 18219 6636 1 13 . 1 1 84 84 LYS CB C 75 32.175 32.175 32.839 -0.664 18219 6637 1 13 . 1 1 84 84 LYS H H 75 8.067 8.067 8.097 -0.030 18219 6638 1 13 . 1 1 86 86 ILE N N 77 119.592 119.592 118.314 1.278 18219 6639 1 13 . 1 1 86 86 ILE HA H 77 3.810 3.810 3.959 -0.149 18219 6640 1 13 . 1 1 86 86 ILE CA C 77 64.900 64.900 63.094 1.806 18219 6641 1 13 . 1 1 86 86 ILE CB C 77 39.145 39.145 38.351 0.794 18219 6642 1 13 . 1 1 86 86 ILE H H 77 7.837 7.837 7.960 -0.123 18219 6643 1 13 . 1 1 87 87 MET N N 78 121.645 121.645 118.723 2.922 18219 6644 1 13 . 1 1 87 87 MET CA C 78 52.982 52.982 59.671 -6.689 18219 6645 1 13 . 1 1 87 87 MET CB C 78 32.173 32.173 31.423 0.750 18219 6646 1 13 . 1 1 87 87 MET H H 78 7.950 7.950 8.030 -0.080 18219 6647 1 13 . 1 1 88 88 PRO HA H 79 4.140 4.140 4.574 -0.434 18219 6648 1 13 . 1 1 88 88 PRO C C 79 173.921 173.921 175.906 -1.985 18219 6649 1 13 . 1 1 88 88 PRO CA C 79 62.800 62.800 62.647 0.153 18219 6650 1 13 . 1 1 88 88 PRO CB C 79 31.136 31.136 29.366 1.770 18219 6651 1 13 . 1 1 89 89 ALA N N 80 124.431 124.431 123.512 0.919 18219 6652 1 13 . 1 1 89 89 ALA HA H 80 4.400 4.400 4.337 0.063 18219 6653 1 13 . 1 1 89 89 ALA C C 80 176.234 176.234 178.864 -2.630 18219 6654 1 13 . 1 1 89 89 ALA CA C 80 53.300 53.300 54.574 -1.274 18219 6655 1 13 . 1 1 89 89 ALA CB C 80 18.498 18.498 19.477 -0.979 18219 6656 1 13 . 1 1 89 89 ALA H H 80 8.320 8.320 8.371 -0.051 18219 6657 1 13 . 1 1 90 90 GLY N N 81 106.834 106.834 106.968 -0.134 18219 6658 1 13 . 1 1 90 90 GLY C C 81 172.398 172.398 175.458 -3.060 18219 6659 1 13 . 1 1 90 90 GLY CA C 81 45.600 45.600 46.914 -1.314 18219 6660 1 13 . 1 1 90 90 GLY H H 81 8.458 8.458 8.328 0.130 18219 6661 1 13 . 1 1 91 91 LEU N N 82 121.043 121.043 120.984 0.059 18219 6662 1 13 . 1 1 91 91 LEU HA H 82 4.200 4.200 3.954 0.246 18219 6663 1 13 . 1 1 91 91 LEU C C 82 174.783 174.783 178.867 -4.084 18219 6664 1 13 . 1 1 91 91 LEU CA C 82 56.300 56.300 57.562 -1.262 18219 6665 1 13 . 1 1 91 91 LEU CB C 82 42.106 42.106 42.077 0.029 18219 6666 1 13 . 1 1 91 91 LEU H H 82 7.687 7.687 7.624 0.063 18219 6667 1 13 . 1 1 92 92 VAL N N 83 114.737 114.737 118.682 -3.945 18219 6668 1 13 . 1 1 92 92 VAL HA H 83 3.980 3.980 3.574 0.406 18219 6669 1 13 . 1 1 92 92 VAL C C 83 173.634 173.634 177.881 -4.247 18219 6670 1 13 . 1 1 92 92 VAL CA C 83 62.400 62.400 67.109 -4.709 18219 6671 1 13 . 1 1 92 92 VAL CB C 83 31.585 31.585 31.371 0.214 18219 6672 1 13 . 1 1 92 92 VAL H H 83 7.602 7.602 7.575 0.027 18219 6673 1 13 . 1 1 93 93 ALA N N 84 124.320 124.320 120.866 3.454 18219 6674 1 13 . 1 1 93 93 ALA HA H 84 4.150 4.150 4.000 0.150 18219 6675 1 13 . 1 1 93 93 ALA C C 84 175.746 175.746 179.871 -4.125 18219 6676 1 13 . 1 1 93 93 ALA CA C 84 53.300 53.300 55.371 -2.071 18219 6677 1 13 . 1 1 93 93 ALA CB C 84 18.241 18.241 17.847 0.394 18219 6678 1 13 . 1 1 93 93 ALA H H 84 7.891 7.891 8.365 -0.474 18219 6679 1 13 . 1 1 94 94 GLY N N 85 106.807 106.807 107.440 -0.633 18219 6680 1 13 . 1 1 94 94 GLY C C 85 171.752 171.752 176.031 -4.279 18219 6681 1 13 . 1 1 94 94 GLY CA C 85 45.249 45.249 46.639 -1.390 18219 6682 1 13 . 1 1 94 94 GLY H H 85 8.204 8.204 7.917 0.287 18219 6683 1 13 . 1 1 95 95 LEU N N 86 121.266 121.266 122.028 -0.762 18219 6684 1 13 . 1 1 95 95 LEU HA H 86 4.380 4.380 4.165 0.215 18219 6685 1 13 . 1 1 95 95 LEU C C 86 173.702 173.702 179.409 -5.707 18219 6686 1 13 . 1 1 95 95 LEU CA C 86 55.000 55.000 57.295 -2.295 18219 6687 1 13 . 1 1 95 95 LEU CB C 86 42.298 42.298 41.254 1.044 18219 6688 1 13 . 1 1 95 95 LEU H H 86 7.718 7.718 8.101 -0.383 18219 6689 1 13 . 1 1 96 96 SER N N 87 115.658 115.658 116.102 -0.444 18219 6690 1 13 . 1 1 96 96 SER HA H 87 4.370 4.370 4.117 0.253 18219 6691 1 13 . 1 1 96 96 SER C C 87 172.479 172.479 176.541 -4.062 18219 6692 1 13 . 1 1 96 96 SER CA C 87 57.200 57.200 62.758 -5.558 18219 6693 1 13 . 1 1 96 96 SER CB C 87 64.174 64.174 63.103 1.071 18219 6694 1 13 . 1 1 96 96 SER H H 87 7.659 7.659 8.215 -0.556 18219 6695 1 13 . 1 1 97 97 LEU N N 88 123.720 123.720 122.023 1.697 18219 6696 1 13 . 1 1 97 97 LEU HA H 88 4.600 4.600 3.986 0.614 18219 6697 1 13 . 1 1 97 97 LEU C C 88 175.932 175.932 178.859 -2.927 18219 6698 1 13 . 1 1 97 97 LEU CA C 88 57.600 57.600 58.068 -0.468 18219 6699 1 13 . 1 1 97 97 LEU CB C 88 41.400 41.400 41.998 -0.598 18219 6700 1 13 . 1 1 97 97 LEU H H 88 8.733 8.733 8.069 0.664 18219 6701 1 13 . 1 1 98 98 MET N N 89 116.684 116.684 119.742 -3.058 18219 6702 1 13 . 1 1 98 98 MET HA H 89 4.280 4.280 4.105 0.175 18219 6703 1 13 . 1 1 98 98 MET C C 89 175.789 175.789 178.025 -2.236 18219 6704 1 13 . 1 1 98 98 MET CA C 89 56.915 56.915 58.804 -1.889 18219 6705 1 13 . 1 1 98 98 MET CB C 89 31.007 31.007 32.546 -1.539 18219 6706 1 13 . 1 1 98 98 MET H H 89 8.342 8.342 8.091 0.251 18219 6707 1 13 . 1 1 99 99 MET N N 90 119.182 119.182 117.689 1.493 18219 6708 1 13 . 1 1 99 99 MET HA H 90 4.110 4.110 4.091 0.019 18219 6709 1 13 . 1 1 99 99 MET C C 90 175.588 175.588 178.776 -3.188 18219 6710 1 13 . 1 1 99 99 MET CA C 90 57.951 57.951 58.952 -1.001 18219 6711 1 13 . 1 1 99 99 MET CB C 90 32.226 32.226 32.173 0.053 18219 6712 1 13 . 1 1 99 99 MET H H 90 7.720 7.720 8.220 -0.500 18219 6713 1 13 . 1 1 100 100 ILE N N 91 119.077 119.077 119.971 -0.894 18219 6714 1 13 . 1 1 100 100 ILE HA H 91 4.110 4.110 3.897 0.213 18219 6715 1 13 . 1 1 100 100 ILE C C 91 174.634 174.634 177.391 -2.757 18219 6716 1 13 . 1 1 100 100 ILE CA C 91 64.100 64.100 64.157 -0.057 18219 6717 1 13 . 1 1 100 100 ILE CB C 91 37.143 37.143 38.364 -1.221 18219 6718 1 13 . 1 1 100 100 ILE H H 91 7.662 7.662 8.278 -0.616 18219 6719 1 13 . 1 1 101 101 LEU N N 92 119.646 119.646 120.843 -1.197 18219 6720 1 13 . 1 1 101 101 LEU HA H 92 4.530 4.530 4.043 0.487 18219 6721 1 13 . 1 1 101 101 LEU C C 92 175.430 175.430 177.980 -2.550 18219 6722 1 13 . 1 1 101 101 LEU CA C 92 57.800 57.800 57.451 0.349 18219 6723 1 13 . 1 1 101 101 LEU CB C 92 40.758 40.758 41.766 -1.008 18219 6724 1 13 . 1 1 101 101 LEU H H 92 8.142 8.142 7.713 0.429 18219 6725 1 13 . 1 1 102 102 ARG N N 93 116.394 116.394 117.652 -1.258 18219 6726 1 13 . 1 1 102 102 ARG HA H 93 4.140 4.140 4.336 -0.196 18219 6727 1 13 . 1 1 102 102 ARG C C 93 175.961 175.961 178.742 -2.781 18219 6728 1 13 . 1 1 102 102 ARG CA C 93 59.100 59.100 57.580 1.520 18219 6729 1 13 . 1 1 102 102 ARG CB C 93 29.404 29.404 30.819 -1.415 18219 6730 1 13 . 1 1 102 102 ARG H H 93 7.893 7.893 7.980 -0.087 18219 6731 1 13 . 1 1 103 103 LEU N N 94 119.114 119.114 121.936 -2.822 18219 6732 1 13 . 1 1 103 103 LEU HA H 94 4.110 4.110 4.155 -0.045 18219 6733 1 13 . 1 1 103 103 LEU C C 94 175.889 175.889 179.053 -3.164 18219 6734 1 13 . 1 1 103 103 LEU CA C 94 57.300 57.300 57.272 0.028 18219 6735 1 13 . 1 1 103 103 LEU CB C 94 41.296 41.296 41.901 -0.605 18219 6736 1 13 . 1 1 103 103 LEU H H 94 7.622 7.622 8.194 -0.572 18219 6737 1 13 . 1 1 104 104 VAL N N 95 117.704 117.704 120.649 -2.945 18219 6738 1 13 . 1 1 104 104 VAL HA H 95 3.530 3.530 3.680 -0.150 18219 6739 1 13 . 1 1 104 104 VAL C C 95 175.042 175.042 177.096 -2.054 18219 6740 1 13 . 1 1 104 104 VAL CA C 95 66.419 66.419 66.150 0.269 18219 6741 1 13 . 1 1 104 104 VAL CB C 95 31.357 31.357 31.635 -0.278 18219 6742 1 13 . 1 1 104 104 VAL H H 95 8.026 8.026 7.880 0.146 18219 6743 1 13 . 1 1 105 105 LEU N N 96 117.185 117.185 112.829 4.356 18219 6744 1 13 . 1 1 105 105 LEU HA H 96 3.980 3.980 4.630 -0.650 18219 6745 1 13 . 1 1 105 105 LEU C C 96 176.579 176.579 176.708 -0.129 18219 6746 1 13 . 1 1 105 105 LEU CA C 96 56.800 56.800 53.684 3.116 18219 6747 1 13 . 1 1 105 105 LEU CB C 96 40.951 40.951 41.429 -0.478 18219 6748 1 13 . 1 1 105 105 LEU H H 96 7.893 7.893 7.536 0.357 18219 6749 1 13 . 1 1 106 106 LEU N N 97 118.471 118.471 120.332 -1.861 18219 6750 1 13 . 1 1 106 106 LEU HA H 97 4.180 4.180 4.005 0.175 18219 6751 1 13 . 1 1 106 106 LEU C C 97 175.802 175.802 176.568 -0.766 18219 6752 1 13 . 1 1 106 106 LEU CA C 97 56.300 56.300 55.848 0.452 18219 6753 1 13 . 1 1 106 106 LEU CB C 97 41.592 41.592 41.374 0.218 18219 6754 1 13 . 1 1 106 106 LEU H H 97 7.545 7.545 8.119 -0.574 18219 6755 1 13 . 1 1 107 107 LEU N N 98 118.162 118.162 119.697 -1.535 18219 6756 1 13 . 1 1 107 107 LEU HA H 98 4.230 4.230 4.546 -0.316 18219 6757 1 13 . 1 1 107 107 LEU C C 98 174.174 174.174 177.229 -3.055 18219 6758 1 13 . 1 1 107 107 LEU CA C 98 56.283 56.283 55.438 0.845 18219 6759 1 13 . 1 1 107 107 LEU CB C 98 42.362 42.362 42.744 -0.382 18219 6760 1 13 . 1 1 107 107 LEU H H 98 7.688 7.688 7.670 0.018 18219 6761 1 14 . 1 1 11 11 ASP N N 2 120.536 120.536 122.300 -1.764 18219 6762 1 14 . 1 1 11 11 ASP CA C 2 55.918 55.918 54.504 1.414 18219 6763 1 14 . 1 1 11 11 ASP CB C 2 37.959 37.959 41.166 -3.207 18219 6764 1 14 . 1 1 11 11 ASP H H 2 7.863 7.863 8.430 -0.567 18219 6765 1 14 . 1 1 12 12 LEU N N 3 121.414 121.414 125.482 -4.068 18219 6766 1 14 . 1 1 12 12 LEU C C 3 176.162 176.162 178.241 -2.079 18219 6767 1 14 . 1 1 12 12 LEU CA C 3 57.600 57.600 55.312 2.288 18219 6768 1 14 . 1 1 12 12 LEU CB C 3 41.657 41.657 42.908 -1.252 18219 6769 1 14 . 1 1 12 12 LEU H H 3 8.285 8.285 8.453 -0.168 18219 6770 1 14 . 1 1 13 13 ILE N N 4 118.854 118.854 119.266 -0.412 18219 6771 1 14 . 1 1 13 13 ILE HA H 4 3.740 3.740 3.882 -0.142 18219 6772 1 14 . 1 1 13 13 ILE C C 4 175.228 175.228 178.035 -2.807 18219 6773 1 14 . 1 1 13 13 ILE CA C 4 64.500 64.500 63.204 1.296 18219 6774 1 14 . 1 1 13 13 ILE CB C 4 37.102 37.102 38.303 -1.201 18219 6775 1 14 . 1 1 13 13 ILE H H 4 8.031 8.031 7.980 0.051 18219 6776 1 14 . 1 1 14 14 GLY N N 5 107.478 107.478 106.389 1.089 18219 6777 1 14 . 1 1 14 14 GLY C C 5 174.424 174.424 175.777 -1.353 18219 6778 1 14 . 1 1 14 14 GLY CA C 5 47.059 47.059 46.525 0.534 18219 6779 1 14 . 1 1 14 14 GLY H H 5 8.148 8.148 8.447 -0.299 18219 6780 1 14 . 1 1 15 15 PHE N N 6 122.774 122.774 123.766 -0.992 18219 6781 1 14 . 1 1 15 15 PHE HA H 6 4.480 4.480 4.390 0.090 18219 6782 1 14 . 1 1 15 15 PHE C C 6 175.113 175.113 177.057 -1.944 18219 6783 1 14 . 1 1 15 15 PHE CA C 6 60.017 60.017 61.066 -1.049 18219 6784 1 14 . 1 1 15 15 PHE CB C 6 38.774 38.774 38.478 0.296 18219 6785 1 14 . 1 1 15 15 PHE H H 6 8.194 8.194 7.890 0.304 18219 6786 1 14 . 1 1 16 16 GLY N N 7 107.938 107.938 106.530 1.408 18219 6787 1 14 . 1 1 16 16 GLY C C 7 171.838 171.838 175.751 -3.913 18219 6788 1 14 . 1 1 16 16 GLY CA C 7 47.100 47.100 47.496 -0.396 18219 6789 1 14 . 1 1 16 16 GLY H H 7 8.697 8.697 8.572 0.125 18219 6790 1 14 . 1 1 17 17 TYR N N 8 121.785 121.785 123.301 -1.516 18219 6791 1 14 . 1 1 17 17 TYR HA H 8 4.150 4.150 4.086 0.064 18219 6792 1 14 . 1 1 17 17 TYR C C 8 174.180 174.180 177.602 -3.422 18219 6793 1 14 . 1 1 17 17 TYR CA C 8 61.300 61.300 61.198 0.102 18219 6794 1 14 . 1 1 17 17 TYR CB C 8 37.959 37.959 38.368 -0.409 18219 6795 1 14 . 1 1 17 17 TYR H H 8 8.710 8.710 8.160 0.550 18219 6796 1 14 . 1 1 18 18 ALA N N 9 120.233 120.233 119.217 1.016 18219 6797 1 14 . 1 1 18 18 ALA HA H 9 3.950 3.950 4.034 -0.084 18219 6798 1 14 . 1 1 18 18 ALA C C 9 178.059 178.059 179.039 -0.980 18219 6799 1 14 . 1 1 18 18 ALA CA C 9 54.872 54.872 54.726 0.146 18219 6800 1 14 . 1 1 18 18 ALA CB C 9 17.562 17.562 17.696 -0.134 18219 6801 1 14 . 1 1 18 18 ALA H H 9 7.843 7.843 8.108 -0.265 18219 6802 1 14 . 1 1 19 19 ALA N N 10 121.797 121.797 123.072 -1.275 18219 6803 1 14 . 1 1 19 19 ALA HA H 10 3.950 3.950 4.024 -0.074 18219 6804 1 14 . 1 1 19 19 ALA C C 10 176.191 176.191 179.444 -3.253 18219 6805 1 14 . 1 1 19 19 ALA CA C 10 54.600 54.600 54.803 -0.203 18219 6806 1 14 . 1 1 19 19 ALA CB C 10 17.562 17.562 18.215 -0.653 18219 6807 1 14 . 1 1 19 19 ALA H H 10 8.212 8.212 7.502 0.710 18219 6808 1 14 . 1 1 20 20 LEU N N 11 119.442 119.442 117.977 1.465 18219 6809 1 14 . 1 1 20 20 LEU HA H 11 3.937 3.937 3.945 -0.008 18219 6810 1 14 . 1 1 20 20 LEU C C 11 176.694 176.694 178.780 -2.086 18219 6811 1 14 . 1 1 20 20 LEU CA C 11 57.800 57.800 57.847 -0.047 18219 6812 1 14 . 1 1 20 20 LEU CB C 11 41.222 41.222 41.074 0.148 18219 6813 1 14 . 1 1 20 20 LEU H H 11 8.065 8.065 7.969 0.096 18219 6814 1 14 . 1 1 21 21 VAL N N 12 118.323 118.323 120.402 -2.079 18219 6815 1 14 . 1 1 21 21 VAL HA H 12 3.640 3.640 3.515 0.125 18219 6816 1 14 . 1 1 21 21 VAL C C 12 176.536 176.536 178.378 -1.842 18219 6817 1 14 . 1 1 21 21 VAL CA C 12 65.400 65.400 66.980 -1.579 18219 6818 1 14 . 1 1 21 21 VAL CB C 12 31.135 31.135 31.335 -0.200 18219 6819 1 14 . 1 1 21 21 VAL H H 12 8.051 8.051 8.441 -0.390 18219 6820 1 14 . 1 1 22 22 THR N N 13 118.298 118.298 116.428 1.870 18219 6821 1 14 . 1 1 22 22 THR HA H 13 4.660 4.660 4.058 0.602 18219 6822 1 14 . 1 1 22 22 THR C C 13 173.734 173.734 176.452 -2.718 18219 6823 1 14 . 1 1 22 22 THR CA C 13 66.300 66.300 66.596 -0.296 18219 6824 1 14 . 1 1 22 22 THR CB C 13 67.775 67.775 68.464 -0.689 18219 6825 1 14 . 1 1 22 22 THR H H 13 7.944 7.944 7.955 -0.011 18219 6826 1 14 . 1 1 23 23 PHE N N 14 121.328 121.328 122.466 -1.138 18219 6827 1 14 . 1 1 23 23 PHE HA H 14 4.340 4.340 4.278 0.062 18219 6828 1 14 . 1 1 23 23 PHE C C 14 174.783 174.783 177.437 -2.654 18219 6829 1 14 . 1 1 23 23 PHE CA C 14 60.500 60.500 61.943 -1.443 18219 6830 1 14 . 1 1 23 23 PHE CB C 14 38.626 38.626 38.930 -0.304 18219 6831 1 14 . 1 1 23 23 PHE H H 14 8.567 8.567 8.457 0.110 18219 6832 1 14 . 1 1 24 24 GLY N N 15 106.871 106.871 105.176 1.695 18219 6833 1 14 . 1 1 24 24 GLY C C 15 172.858 172.858 176.640 -3.782 18219 6834 1 14 . 1 1 24 24 GLY CA C 15 46.900 46.900 47.188 -0.288 18219 6835 1 14 . 1 1 24 24 GLY H H 15 8.475 8.475 8.911 -0.436 18219 6836 1 14 . 1 1 25 25 SER N N 16 116.214 116.214 118.739 -2.525 18219 6837 1 14 . 1 1 25 25 SER HA H 16 4.280 4.280 4.297 -0.017 18219 6838 1 14 . 1 1 25 25 SER CA C 16 60.300 60.300 62.305 -2.005 18219 6839 1 14 . 1 1 25 25 SER CB C 16 62.879 62.879 63.297 -0.417 18219 6840 1 14 . 1 1 25 25 SER H H 16 7.963 7.963 8.007 -0.044 18219 6841 1 14 . 1 1 26 26 ILE N N 17 121.024 121.024 121.536 -0.512 18219 6842 1 14 . 1 1 26 26 ILE HA H 17 3.946 3.946 3.830 0.116 18219 6843 1 14 . 1 1 26 26 ILE C C 17 173.935 173.935 177.800 -3.865 18219 6844 1 14 . 1 1 26 26 ILE CA C 17 63.100 63.100 65.097 -1.997 18219 6845 1 14 . 1 1 26 26 ILE CB C 17 38.107 38.107 38.150 -0.043 18219 6846 1 14 . 1 1 26 26 ILE H H 17 7.676 7.676 8.044 -0.368 18219 6847 1 14 . 1 1 27 27 PHE N N 18 117.142 117.142 120.444 -3.302 18219 6848 1 14 . 1 1 27 27 PHE HA H 18 4.430 4.430 4.095 0.335 18219 6849 1 14 . 1 1 27 27 PHE C C 18 173.504 173.504 177.522 -4.018 18219 6850 1 14 . 1 1 27 27 PHE CA C 18 58.500 58.500 60.446 -1.946 18219 6851 1 14 . 1 1 27 27 PHE CB C 18 38.774 38.774 38.641 0.133 18219 6852 1 14 . 1 1 27 27 PHE H H 18 7.703 7.703 8.334 -0.631 18219 6853 1 14 . 1 1 28 28 GLY N N 19 107.303 107.303 106.639 0.664 18219 6854 1 14 . 1 1 28 28 GLY C C 19 171.593 171.593 174.097 -2.504 18219 6855 1 14 . 1 1 28 28 GLY CA C 19 45.600 45.600 45.963 -0.363 18219 6856 1 14 . 1 1 28 28 GLY H H 19 7.722 7.722 7.898 -0.176 18219 6857 1 14 . 1 1 29 29 TYR N N 20 119.862 119.862 118.152 1.710 18219 6858 1 14 . 1 1 29 29 TYR HA H 20 4.392 4.392 4.102 0.290 18219 6859 1 14 . 1 1 29 29 TYR C C 20 173.174 173.174 175.223 -2.049 18219 6860 1 14 . 1 1 29 29 TYR CA C 20 58.500 58.500 58.930 -0.430 18219 6861 1 14 . 1 1 29 29 TYR CB C 20 38.404 38.404 39.135 -0.731 18219 6862 1 14 . 1 1 29 29 TYR H H 20 7.880 7.880 7.631 0.249 18219 6863 1 14 . 1 1 30 30 LYS N N 21 122.335 122.335 121.577 0.758 18219 6864 1 14 . 1 1 30 30 LYS HA H 21 4.390 4.390 4.147 0.243 18219 6865 1 14 . 1 1 30 30 LYS C C 21 173.547 173.547 175.917 -2.370 18219 6866 1 14 . 1 1 30 30 LYS CA C 21 55.800 55.800 57.232 -1.432 18219 6867 1 14 . 1 1 30 30 LYS CB C 21 32.396 32.396 32.990 -0.595 18219 6868 1 14 . 1 1 30 30 LYS H H 21 7.934 7.934 7.931 0.003 18219 6869 1 14 . 1 1 31 31 ARG N N 22 120.612 120.612 121.166 -0.554 18219 6870 1 14 . 1 1 31 31 ARG C C 22 173.547 173.547 176.764 -3.217 18219 6871 1 14 . 1 1 31 31 ARG CA C 22 55.834 55.834 55.209 0.625 18219 6872 1 14 . 1 1 31 31 ARG CB C 22 30.101 30.101 31.920 -1.819 18219 6873 1 14 . 1 1 31 31 ARG H H 22 7.905 7.905 8.420 -0.515 18219 6874 1 14 . 1 1 32 32 ARG N N 23 121.748 121.748 121.726 0.022 18219 6875 1 14 . 1 1 32 32 ARG HA H 23 4.310 4.310 4.648 -0.338 18219 6876 1 14 . 1 1 32 32 ARG C C 23 173.863 173.863 176.600 -2.737 18219 6877 1 14 . 1 1 32 32 ARG CA C 23 55.800 55.800 56.571 -0.771 18219 6878 1 14 . 1 1 32 32 ARG CB C 23 30.245 30.245 30.850 -0.605 18219 6879 1 14 . 1 1 32 32 ARG H H 23 8.175 8.175 8.717 -0.542 18219 6880 1 14 . 1 1 33 33 GLY N N 24 109.528 109.528 104.352 5.176 18219 6881 1 14 . 1 1 33 33 GLY C C 24 171.752 171.752 172.918 -1.166 18219 6882 1 14 . 1 1 33 33 GLY CA C 24 44.900 44.900 45.419 -0.519 18219 6883 1 14 . 1 1 33 33 GLY H H 24 8.264 8.264 8.211 0.053 18219 6884 1 14 . 1 1 34 34 GLY N N 25 108.563 108.563 109.231 -0.668 18219 6885 1 14 . 1 1 34 34 GLY C C 25 171.701 171.701 174.875 -3.174 18219 6886 1 14 . 1 1 34 34 GLY CA C 25 44.600 44.600 44.568 0.032 18219 6887 1 14 . 1 1 34 34 GLY H H 25 8.208 8.208 8.155 0.053 18219 6888 1 14 . 1 1 35 35 VAL N N 26 121.164 121.164 121.707 -0.543 18219 6889 1 14 . 1 1 35 35 VAL HA H 26 4.010 4.010 3.937 0.073 18219 6890 1 14 . 1 1 35 35 VAL C C 26 175.888 175.888 176.080 -0.192 18219 6891 1 14 . 1 1 35 35 VAL CA C 26 63.900 63.900 66.065 -2.165 18219 6892 1 14 . 1 1 35 35 VAL CB C 26 30.690 30.690 30.891 -0.201 18219 6893 1 14 . 1 1 35 35 VAL H H 26 8.485 8.485 8.375 0.110 18219 6894 1 14 . 1 1 36 36 PRO C C 27 177.660 177.660 175.968 1.692 18219 6895 1 14 . 1 1 36 36 PRO CA C 27 61.847 61.847 63.550 -1.703 18219 6896 1 14 . 1 1 37 37 SER N N 28 116.023 116.023 115.370 0.653 18219 6897 1 14 . 1 1 37 37 SER HA H 28 4.280 4.280 4.539 -0.259 18219 6898 1 14 . 1 1 37 37 SER CA C 28 61.100 61.100 59.606 1.494 18219 6899 1 14 . 1 1 37 37 SER H H 28 7.948 7.948 8.321 -0.373 18219 6900 1 14 . 1 1 38 38 LEU N N 29 124.029 124.029 122.402 1.627 18219 6901 1 14 . 1 1 38 38 LEU HA H 29 4.170 4.170 4.067 0.103 18219 6902 1 14 . 1 1 38 38 LEU C C 29 176.132 176.132 178.695 -2.563 18219 6903 1 14 . 1 1 38 38 LEU CA C 29 57.500 57.500 58.244 -0.744 18219 6904 1 14 . 1 1 38 38 LEU CB C 29 42.038 42.038 40.937 1.101 18219 6905 1 14 . 1 1 38 38 LEU H H 29 8.201 8.201 7.794 0.407 18219 6906 1 14 . 1 1 39 39 ILE N N 30 117.098 117.098 119.807 -2.709 18219 6907 1 14 . 1 1 39 39 ILE HA H 30 4.370 4.370 3.677 0.693 18219 6908 1 14 . 1 1 39 39 ILE C C 30 176.478 176.478 177.438 -0.960 18219 6909 1 14 . 1 1 39 39 ILE CA C 30 63.079 63.079 63.112 -0.033 18219 6910 1 14 . 1 1 39 39 ILE CB C 30 36.973 36.973 37.156 -0.183 18219 6911 1 14 . 1 1 39 39 ILE H H 30 7.662 7.662 8.319 -0.657 18219 6912 1 14 . 1 1 40 40 ALA N N 31 122.447 122.447 121.571 0.876 18219 6913 1 14 . 1 1 40 40 ALA HA H 31 4.034 4.034 4.019 0.015 18219 6914 1 14 . 1 1 40 40 ALA C C 31 177.067 177.067 179.858 -2.791 18219 6915 1 14 . 1 1 40 40 ALA CA C 31 55.962 55.962 55.362 0.600 18219 6916 1 14 . 1 1 40 40 ALA CB C 31 17.856 17.856 18.075 -0.219 18219 6917 1 14 . 1 1 40 40 ALA H H 31 8.096 8.096 7.271 0.825 18219 6918 1 14 . 1 1 41 41 GLY N N 32 104.056 104.056 107.583 -3.527 18219 6919 1 14 . 1 1 41 41 GLY C C 32 174.251 174.251 175.809 -1.558 18219 6920 1 14 . 1 1 41 41 GLY CA C 32 46.500 46.500 46.768 -0.268 18219 6921 1 14 . 1 1 41 41 GLY H H 32 8.123 8.123 8.239 -0.116 18219 6922 1 14 . 1 1 42 42 LEU N N 33 123.250 123.250 123.359 -0.109 18219 6923 1 14 . 1 1 42 42 LEU HA H 33 3.857 3.857 3.986 -0.129 18219 6924 1 14 . 1 1 42 42 LEU C C 33 176.033 176.033 178.392 -2.359 18219 6925 1 14 . 1 1 42 42 LEU CA C 33 56.668 56.668 58.149 -1.481 18219 6926 1 14 . 1 1 42 42 LEU CB C 33 41.721 41.721 41.967 -0.246 18219 6927 1 14 . 1 1 42 42 LEU H H 33 7.914 7.914 8.432 -0.518 18219 6928 1 14 . 1 1 43 43 PHE N N 34 119.757 119.757 118.677 1.080 18219 6929 1 14 . 1 1 43 43 PHE HA H 34 4.200 4.200 4.061 0.139 18219 6930 1 14 . 1 1 43 43 PHE C C 34 174.374 174.374 177.352 -2.978 18219 6931 1 14 . 1 1 43 43 PHE CA C 34 59.876 59.876 62.460 -2.584 18219 6932 1 14 . 1 1 43 43 PHE CB C 34 38.834 38.834 39.208 -0.374 18219 6933 1 14 . 1 1 43 43 PHE H H 34 8.287 8.287 8.214 0.073 18219 6934 1 14 . 1 1 44 44 VAL N N 35 117.791 117.791 118.713 -0.922 18219 6935 1 14 . 1 1 44 44 VAL HA H 35 3.610 3.610 3.670 -0.060 18219 6936 1 14 . 1 1 44 44 VAL C C 35 176.205 176.205 178.438 -2.233 18219 6937 1 14 . 1 1 44 44 VAL CA C 35 64.559 64.559 67.118 -2.559 18219 6938 1 14 . 1 1 44 44 VAL CB C 35 31.432 31.432 31.594 -0.162 18219 6939 1 14 . 1 1 44 44 VAL H H 35 8.235 8.235 8.323 -0.088 18219 6940 1 14 . 1 1 45 45 GLY N N 36 108.551 108.551 107.057 1.494 18219 6941 1 14 . 1 1 45 45 GLY C C 36 173.749 173.749 175.478 -1.729 18219 6942 1 14 . 1 1 45 45 GLY CA C 36 46.083 46.083 47.026 -0.943 18219 6943 1 14 . 1 1 45 45 GLY H H 36 8.178 8.178 8.612 -0.434 18219 6944 1 14 . 1 1 46 46 CYS N N 37 121.173 121.173 122.527 -1.354 18219 6945 1 14 . 1 1 46 46 CYS HA H 37 4.180 4.180 4.170 0.010 18219 6946 1 14 . 1 1 46 46 CYS C C 37 173.710 173.710 176.600 -2.890 18219 6947 1 14 . 1 1 46 46 CYS CA C 37 63.000 63.000 63.712 -0.712 18219 6948 1 14 . 1 1 46 46 CYS CB C 37 60.283 60.283 27.733 32.550 18219 6949 1 14 . 1 1 46 46 CYS H H 37 8.253 8.253 8.119 0.134 18219 6950 1 14 . 1 1 47 47 LEU N N 38 120.283 120.283 120.693 -0.410 18219 6951 1 14 . 1 1 47 47 LEU HA H 38 4.060 4.060 4.194 -0.134 18219 6952 1 14 . 1 1 47 47 LEU C C 38 176.679 176.679 178.121 -1.442 18219 6953 1 14 . 1 1 47 47 LEU CA C 38 56.027 56.027 58.071 -2.044 18219 6954 1 14 . 1 1 47 47 LEU CB C 38 41.464 41.464 41.106 0.358 18219 6955 1 14 . 1 1 47 47 LEU H H 38 7.965 7.965 8.530 -0.565 18219 6956 1 14 . 1 1 48 48 ALA N N 39 122.249 122.249 122.657 -0.408 18219 6957 1 14 . 1 1 48 48 ALA HA H 39 4.142 4.142 4.019 0.123 18219 6958 1 14 . 1 1 48 48 ALA C C 39 177.915 177.915 179.331 -1.416 18219 6959 1 14 . 1 1 48 48 ALA CA C 39 53.717 53.717 55.425 -1.708 18219 6960 1 14 . 1 1 48 48 ALA CB C 39 17.985 17.985 18.171 -0.186 18219 6961 1 14 . 1 1 48 48 ALA H H 39 8.066 8.066 8.098 -0.033 18219 6962 1 14 . 1 1 49 49 GLY N N 40 107.377 107.377 106.915 0.462 18219 6963 1 14 . 1 1 49 49 GLY C C 40 172.527 172.527 175.960 -3.433 18219 6964 1 14 . 1 1 49 49 GLY CA C 40 45.450 45.450 46.965 -1.516 18219 6965 1 14 . 1 1 49 49 GLY H H 40 8.172 8.172 8.475 -0.302 18219 6966 1 14 . 1 1 50 50 TYR N N 41 122.409 122.409 123.288 -0.879 18219 6967 1 14 . 1 1 50 50 TYR HA H 41 3.799 3.799 4.294 -0.495 18219 6968 1 14 . 1 1 50 50 TYR C C 41 174.208 174.208 176.297 -2.089 18219 6969 1 14 . 1 1 50 50 TYR CA C 41 59.245 59.245 61.040 -1.795 18219 6970 1 14 . 1 1 50 50 TYR CB C 41 37.936 37.936 38.473 -0.537 18219 6971 1 14 . 1 1 50 50 TYR H H 41 7.800 7.800 8.249 -0.449 18219 6972 1 14 . 1 1 51 51 GLY N N 42 106.935 106.935 106.062 0.873 18219 6973 1 14 . 1 1 51 51 GLY C C 42 172.642 172.642 174.923 -2.281 18219 6974 1 14 . 1 1 51 51 GLY CA C 42 46.265 46.265 45.484 0.781 18219 6975 1 14 . 1 1 51 51 GLY H H 42 8.199 8.199 7.705 0.494 18219 6976 1 14 . 1 1 52 52 ALA N N 43 123.018 123.018 124.289 -1.271 18219 6977 1 14 . 1 1 52 52 ALA HA H 43 4.150 4.150 4.094 0.056 18219 6978 1 14 . 1 1 52 52 ALA C C 43 176.398 176.398 177.464 -1.066 18219 6979 1 14 . 1 1 52 52 ALA CA C 43 52.883 52.883 53.615 -0.732 18219 6980 1 14 . 1 1 52 52 ALA CB C 43 18.241 18.241 19.078 -0.837 18219 6981 1 14 . 1 1 52 52 ALA H H 43 7.758 7.758 7.816 -0.058 18219 6982 1 14 . 1 1 53 53 TYR N N 44 119.664 119.664 119.005 0.659 18219 6983 1 14 . 1 1 53 53 TYR HA H 44 4.318 4.318 4.180 0.138 18219 6984 1 14 . 1 1 53 53 TYR C C 44 174.180 174.180 175.663 -1.483 18219 6985 1 14 . 1 1 53 53 TYR CA C 44 58.593 58.593 58.663 -0.070 18219 6986 1 14 . 1 1 53 53 TYR CB C 44 38.192 38.192 36.764 1.428 18219 6987 1 14 . 1 1 53 53 TYR H H 44 7.920 7.920 8.169 -0.249 18219 6988 1 14 . 1 1 54 54 ARG N N 45 119.516 119.516 123.754 -4.238 18219 6989 1 14 . 1 1 54 54 ARG HA H 45 3.930 3.930 3.792 0.138 18219 6990 1 14 . 1 1 54 54 ARG C C 45 174.423 174.423 174.833 -0.410 18219 6991 1 14 . 1 1 54 54 ARG CA C 45 56.027 56.027 57.370 -1.343 18219 6992 1 14 . 1 1 54 54 ARG CB C 45 30.173 30.173 29.644 0.529 18219 6993 1 14 . 1 1 54 54 ARG H H 45 7.956 7.956 8.727 -0.771 18219 6994 1 14 . 1 1 55 55 VAL N N 46 116.437 116.437 115.133 1.304 18219 6995 1 14 . 1 1 55 55 VAL HA H 46 4.060 4.060 3.624 0.436 18219 6996 1 14 . 1 1 55 55 VAL C C 46 173.806 173.806 175.710 -1.904 18219 6997 1 14 . 1 1 55 55 VAL CA C 46 62.300 62.300 63.033 -0.733 18219 6998 1 14 . 1 1 55 55 VAL CB C 46 31.521 31.521 30.915 0.606 18219 6999 1 14 . 1 1 55 55 VAL H H 46 7.489 7.489 7.976 -0.487 18219 7000 1 14 . 1 1 56 56 SER N N 47 117.185 117.185 114.068 3.117 18219 7001 1 14 . 1 1 56 56 SER HA H 47 4.401 4.401 4.164 0.237 18219 7002 1 14 . 1 1 56 56 SER C C 47 172.074 172.074 175.289 -3.215 18219 7003 1 14 . 1 1 56 56 SER CA C 47 58.133 58.133 59.754 -1.621 18219 7004 1 14 . 1 1 56 56 SER CB C 47 63.468 63.468 64.040 -0.571 18219 7005 1 14 . 1 1 56 56 SER H H 47 7.728 7.728 7.808 -0.080 18219 7006 1 14 . 1 1 57 57 ASN N N 48 121.049 121.049 120.393 0.656 18219 7007 1 14 . 1 1 57 57 ASN HA H 48 4.590 4.590 4.580 0.010 18219 7008 1 14 . 1 1 57 57 ASN CA C 48 53.600 53.600 54.320 -0.720 18219 7009 1 14 . 1 1 57 57 ASN CB C 48 38.641 38.641 37.176 1.465 18219 7010 1 14 . 1 1 57 57 ASN H H 48 8.228 8.228 8.874 -0.646 18219 7011 1 14 . 1 1 58 58 ASP N N 49 120.276 120.276 121.204 -0.928 18219 7012 1 14 . 1 1 58 58 ASP HA H 49 4.530 4.530 4.718 -0.188 18219 7013 1 14 . 1 1 58 58 ASP CA C 49 54.202 54.202 54.931 -0.729 18219 7014 1 14 . 1 1 58 58 ASP CB C 49 40.374 40.374 42.336 -1.962 18219 7015 1 14 . 1 1 58 58 ASP H H 49 8.192 8.192 8.611 -0.419 18219 7016 1 14 . 1 1 59 59 LYS N N 50 120.660 120.660 120.527 0.133 18219 7017 1 14 . 1 1 59 59 LYS HA H 50 4.200 4.200 4.646 -0.446 18219 7018 1 14 . 1 1 59 59 LYS C C 50 173.474 173.474 175.712 -2.238 18219 7019 1 14 . 1 1 59 59 LYS CA C 50 56.300 56.300 55.320 0.980 18219 7020 1 14 . 1 1 59 59 LYS CB C 50 32.034 32.034 34.243 -2.209 18219 7021 1 14 . 1 1 59 59 LYS H H 50 8.003 8.003 7.741 0.262 18219 7022 1 14 . 1 1 60 60 ARG N N 51 121.278 121.278 119.263 2.015 18219 7023 1 14 . 1 1 60 60 ARG HA H 51 4.200 4.200 4.154 0.046 18219 7024 1 14 . 1 1 60 60 ARG C C 51 173.303 173.303 175.776 -2.473 18219 7025 1 14 . 1 1 60 60 ARG CA C 51 56.283 56.283 56.881 -0.598 18219 7026 1 14 . 1 1 60 60 ARG CB C 51 30.238 30.238 30.733 -0.495 18219 7027 1 14 . 1 1 60 60 ARG H H 51 8.091 8.091 8.402 -0.311 18219 7028 1 14 . 1 1 61 61 ASP N N 52 121.185 121.185 118.354 2.831 18219 7029 1 14 . 1 1 61 61 ASP HA H 52 4.615 4.615 4.627 -0.012 18219 7030 1 14 . 1 1 61 61 ASP C C 52 173.777 173.777 177.493 -3.716 18219 7031 1 14 . 1 1 61 61 ASP CA C 52 53.979 53.979 55.503 -1.524 18219 7032 1 14 . 1 1 61 61 ASP CB C 52 40.245 40.245 41.150 -0.905 18219 7033 1 14 . 1 1 61 61 ASP H H 52 8.261 8.261 8.371 -0.110 18219 7034 1 14 . 1 1 62 62 VAL N N 53 121.902 121.902 118.029 3.873 18219 7035 1 14 . 1 1 62 62 VAL HA H 53 3.950 3.950 4.341 -0.391 18219 7036 1 14 . 1 1 62 62 VAL C C 53 173.279 173.279 177.048 -3.769 18219 7037 1 14 . 1 1 62 62 VAL CA C 53 63.176 63.176 62.266 0.910 18219 7038 1 14 . 1 1 62 62 VAL CB C 53 32.099 32.099 32.337 -0.239 18219 7039 1 14 . 1 1 62 62 VAL H H 53 7.997 7.997 7.966 0.031 18219 7040 1 14 . 1 1 63 63 LYS N N 54 123.522 123.522 121.667 1.855 18219 7041 1 14 . 1 1 63 63 LYS HA H 54 4.260 4.260 4.025 0.235 18219 7042 1 14 . 1 1 63 63 LYS C C 54 174.481 174.481 178.469 -3.988 18219 7043 1 14 . 1 1 63 63 LYS CA C 54 56.347 56.347 60.109 -3.762 18219 7044 1 14 . 1 1 63 63 LYS CB C 54 32.099 32.099 31.848 0.251 18219 7045 1 14 . 1 1 63 63 LYS H H 54 8.054 8.054 7.552 0.502 18219 7046 1 14 . 1 1 64 64 VAL N N 55 120.647 120.647 117.187 3.460 18219 7047 1 14 . 1 1 64 64 VAL HA H 55 3.947 3.947 3.882 0.065 18219 7048 1 14 . 1 1 64 64 VAL C C 55 174.955 174.955 178.107 -3.152 18219 7049 1 14 . 1 1 64 64 VAL CA C 55 64.600 64.600 65.130 -0.530 18219 7050 1 14 . 1 1 64 64 VAL CB C 55 31.877 31.877 30.736 1.141 18219 7051 1 14 . 1 1 64 64 VAL H H 55 8.225 8.225 8.083 0.142 18219 7052 1 14 . 1 1 65 65 SER N N 56 117.785 117.785 116.276 1.509 18219 7053 1 14 . 1 1 65 65 SER HA H 56 4.390 4.390 4.224 0.166 18219 7054 1 14 . 1 1 65 65 SER C C 56 172.300 172.300 176.659 -4.359 18219 7055 1 14 . 1 1 65 65 SER CA C 56 60.000 60.000 62.096 -2.095 18219 7056 1 14 . 1 1 65 65 SER CB C 56 62.879 62.879 63.000 -0.121 18219 7057 1 14 . 1 1 65 65 SER H H 56 8.260 8.260 8.000 0.260 18219 7058 1 14 . 1 1 66 66 LEU N N 57 123.318 123.318 122.160 1.158 18219 7059 1 14 . 1 1 66 66 LEU HA H 57 4.090 4.090 4.174 -0.084 18219 7060 1 14 . 1 1 66 66 LEU C C 57 175.932 175.932 178.200 -2.268 18219 7061 1 14 . 1 1 66 66 LEU CA C 57 57.502 57.502 58.143 -0.641 18219 7062 1 14 . 1 1 66 66 LEU CB C 57 41.721 41.721 42.064 -0.343 18219 7063 1 14 . 1 1 66 66 LEU H H 57 8.091 8.091 8.170 -0.079 18219 7064 1 14 . 1 1 67 67 PHE N N 58 118.020 118.020 118.977 -0.957 18219 7065 1 14 . 1 1 67 67 PHE HA H 58 4.330 4.330 4.019 0.311 18219 7066 1 14 . 1 1 67 67 PHE C C 58 174.912 174.912 177.497 -2.585 18219 7067 1 14 . 1 1 67 67 PHE CA C 58 60.600 60.600 61.908 -1.308 18219 7068 1 14 . 1 1 67 67 PHE CB C 58 38.552 38.552 38.803 -0.251 18219 7069 1 14 . 1 1 67 67 PHE H H 58 8.066 8.066 8.860 -0.794 18219 7070 1 14 . 1 1 68 68 THR N N 59 115.324 115.324 115.885 -0.561 18219 7071 1 14 . 1 1 68 68 THR HA H 59 4.310 4.310 4.115 0.195 18219 7072 1 14 . 1 1 68 68 THR C C 59 173.380 173.380 176.586 -3.206 18219 7073 1 14 . 1 1 68 68 THR CA C 59 66.313 66.313 66.420 -0.107 18219 7074 1 14 . 1 1 68 68 THR CB C 59 67.700 67.700 68.420 -0.720 18219 7075 1 14 . 1 1 68 68 THR H H 59 8.287 8.287 8.551 -0.264 18219 7076 1 14 . 1 1 69 69 ALA N N 60 123.621 123.621 124.709 -1.088 18219 7077 1 14 . 1 1 69 69 ALA HA H 60 4.280 4.280 4.091 0.189 18219 7078 1 14 . 1 1 69 69 ALA C C 60 176.978 176.978 180.009 -3.031 18219 7079 1 14 . 1 1 69 69 ALA CA C 60 55.100 55.100 55.084 0.016 18219 7080 1 14 . 1 1 69 69 ALA CB C 60 17.728 17.728 18.155 -0.427 18219 7081 1 14 . 1 1 69 69 ALA H H 60 7.983 7.983 8.057 -0.074 18219 7082 1 14 . 1 1 70 70 PHE N N 61 118.520 118.520 118.847 -0.327 18219 7083 1 14 . 1 1 70 70 PHE HA H 61 4.260 4.260 4.156 0.104 18219 7084 1 14 . 1 1 70 70 PHE C C 61 175.369 175.369 177.333 -1.964 18219 7085 1 14 . 1 1 70 70 PHE CA C 61 60.179 60.179 61.607 -1.428 18219 7086 1 14 . 1 1 70 70 PHE CB C 61 38.706 38.706 39.069 -0.363 18219 7087 1 14 . 1 1 70 70 PHE H H 61 8.007 8.007 8.781 -0.774 18219 7088 1 14 . 1 1 71 71 PHE N N 62 122.314 122.314 119.868 2.446 18219 7089 1 14 . 1 1 71 71 PHE HA H 62 4.000 4.000 4.089 -0.089 18219 7090 1 14 . 1 1 71 71 PHE C C 62 174.697 174.697 177.566 -2.869 18219 7091 1 14 . 1 1 71 71 PHE CA C 62 60.517 60.517 62.896 -2.379 18219 7092 1 14 . 1 1 71 71 PHE CB C 62 38.770 38.770 39.029 -0.259 18219 7093 1 14 . 1 1 71 71 PHE H H 62 8.546 8.546 8.217 0.329 18219 7094 1 14 . 1 1 72 72 LEU N N 63 119.399 119.399 119.745 -0.346 18219 7095 1 14 . 1 1 72 72 LEU HA H 63 3.870 3.870 3.848 0.022 18219 7096 1 14 . 1 1 72 72 LEU C C 63 175.774 175.774 178.561 -2.787 18219 7097 1 14 . 1 1 72 72 LEU CA C 63 56.925 56.925 58.821 -1.896 18219 7098 1 14 . 1 1 72 72 LEU CB C 63 41.207 41.207 41.729 -0.522 18219 7099 1 14 . 1 1 72 72 LEU H H 63 8.396 8.396 8.687 -0.291 18219 7100 1 14 . 1 1 73 73 ALA N N 64 120.221 120.221 120.695 -0.474 18219 7101 1 14 . 1 1 73 73 ALA HA H 64 3.960 3.960 3.824 0.136 18219 7102 1 14 . 1 1 73 73 ALA C C 64 177.267 177.267 179.448 -2.181 18219 7103 1 14 . 1 1 73 73 ALA CA C 64 54.600 54.600 55.285 -0.685 18219 7104 1 14 . 1 1 73 73 ALA CB C 64 17.784 17.784 17.820 -0.036 18219 7105 1 14 . 1 1 73 73 ALA H H 64 8.025 8.025 7.948 0.077 18219 7106 1 14 . 1 1 74 74 THR N N 65 113.648 113.648 115.133 -1.485 18219 7107 1 14 . 1 1 74 74 THR HA H 65 3.980 3.980 3.835 0.145 18219 7108 1 14 . 1 1 74 74 THR CA C 65 66.291 66.291 67.102 -0.811 18219 7109 1 14 . 1 1 74 74 THR CB C 65 67.914 67.914 68.767 -0.853 18219 7110 1 14 . 1 1 74 74 THR H H 65 7.717 7.717 7.845 -0.128 18219 7111 1 14 . 1 1 75 75 ILE N N 66 120.291 120.291 121.030 -0.739 18219 7112 1 14 . 1 1 75 75 ILE HA H 66 3.740 3.740 3.580 0.160 18219 7113 1 14 . 1 1 75 75 ILE C C 66 174.951 174.951 177.594 -2.643 18219 7114 1 14 . 1 1 75 75 ILE CA C 66 64.880 64.880 64.469 0.411 18219 7115 1 14 . 1 1 75 75 ILE CB C 66 37.166 37.166 37.971 -0.805 18219 7116 1 14 . 1 1 75 75 ILE H H 66 7.738 7.738 7.753 -0.015 18219 7117 1 14 . 1 1 76 76 MET N N 67 117.618 117.618 117.435 0.183 18219 7118 1 14 . 1 1 76 76 MET HA H 67 4.220 4.220 4.046 0.174 18219 7119 1 14 . 1 1 76 76 MET C C 67 175.142 175.142 178.167 -3.025 18219 7120 1 14 . 1 1 76 76 MET CA C 67 56.723 56.723 58.241 -1.518 18219 7121 1 14 . 1 1 76 76 MET CB C 67 31.951 31.951 33.083 -1.132 18219 7122 1 14 . 1 1 76 76 MET H H 67 7.823 7.823 8.493 -0.670 18219 7123 1 14 . 1 1 77 77 GLY N N 68 107.110 107.110 105.501 1.609 18219 7124 1 14 . 1 1 77 77 GLY C C 68 172.260 172.260 174.503 -2.243 18219 7125 1 14 . 1 1 77 77 GLY CA C 68 45.800 45.800 46.115 -0.315 18219 7126 1 14 . 1 1 77 77 GLY H H 68 7.937 7.937 8.266 -0.329 18219 7127 1 14 . 1 1 78 78 VAL N N 69 120.431 120.431 117.518 2.913 18219 7128 1 14 . 1 1 78 78 VAL HA H 69 4.220 4.220 3.799 0.421 18219 7129 1 14 . 1 1 78 78 VAL CA C 69 63.900 63.900 64.527 -0.627 18219 7130 1 14 . 1 1 78 78 VAL CB C 69 31.506 31.506 31.835 -0.329 18219 7131 1 14 . 1 1 78 78 VAL H H 69 7.697 7.697 7.831 -0.134 18219 7132 1 14 . 1 1 79 79 ARG N N 70 121.420 121.420 119.931 1.489 18219 7133 1 14 . 1 1 79 79 ARG HA H 70 3.810 3.810 4.168 -0.358 18219 7134 1 14 . 1 1 79 79 ARG CA C 70 56.400 56.400 57.243 -0.843 18219 7135 1 14 . 1 1 79 79 ARG CB C 70 30.097 30.097 30.719 -0.622 18219 7136 1 14 . 1 1 79 79 ARG H H 70 7.889 7.889 7.898 -0.009 18219 7137 1 14 . 1 1 80 80 PHE N N 71 119.949 119.949 124.860 -4.911 18219 7138 1 14 . 1 1 80 80 PHE HA H 71 4.510 4.510 4.581 -0.071 18219 7139 1 14 . 1 1 80 80 PHE CA C 71 58.600 58.600 59.078 -0.478 18219 7140 1 14 . 1 1 80 80 PHE CB C 71 39.145 39.145 40.331 -1.186 18219 7141 1 14 . 1 1 80 80 PHE H H 71 8.101 8.101 8.542 -0.441 18219 7142 1 14 . 1 1 81 81 LYS N N 72 122.193 122.193 119.915 2.278 18219 7143 1 14 . 1 1 81 81 LYS CA C 72 56.800 56.800 56.312 0.488 18219 7144 1 14 . 1 1 81 81 LYS CB C 72 32.322 32.322 33.171 -0.849 18219 7145 1 14 . 1 1 81 81 LYS H H 72 8.090 8.090 7.780 0.310 18219 7146 1 14 . 1 1 82 82 ARG N N 73 119.650 119.650 117.022 2.628 18219 7147 1 14 . 1 1 82 82 ARG CA C 73 56.089 56.089 55.399 0.690 18219 7148 1 14 . 1 1 82 82 ARG CB C 73 30.171 30.171 31.581 -1.410 18219 7149 1 14 . 1 1 82 82 ARG H H 73 8.052 8.052 8.299 -0.247 18219 7150 1 14 . 1 1 83 83 SER N N 74 115.734 115.734 120.220 -4.486 18219 7151 1 14 . 1 1 83 83 SER CA C 74 58.355 58.355 59.552 -1.197 18219 7152 1 14 . 1 1 83 83 SER CB C 74 63.404 63.404 64.157 -0.753 18219 7153 1 14 . 1 1 83 83 SER H H 74 7.912 7.912 8.846 -0.934 18219 7154 1 14 . 1 1 84 84 LYS N N 75 122.370 122.370 120.917 1.453 18219 7155 1 14 . 1 1 84 84 LYS CA C 75 56.135 56.135 57.659 -1.524 18219 7156 1 14 . 1 1 84 84 LYS CB C 75 32.175 32.175 32.994 -0.819 18219 7157 1 14 . 1 1 84 84 LYS H H 75 8.067 8.067 8.412 -0.345 18219 7158 1 14 . 1 1 86 86 ILE N N 77 119.592 119.592 114.352 5.240 18219 7159 1 14 . 1 1 86 86 ILE HA H 77 3.810 3.810 4.357 -0.547 18219 7160 1 14 . 1 1 86 86 ILE CA C 77 64.900 64.900 60.793 4.107 18219 7161 1 14 . 1 1 86 86 ILE CB C 77 39.145 39.145 38.306 0.839 18219 7162 1 14 . 1 1 86 86 ILE H H 77 7.837 7.837 8.046 -0.209 18219 7163 1 14 . 1 1 87 87 MET N N 78 121.645 121.645 120.357 1.288 18219 7164 1 14 . 1 1 87 87 MET CA C 78 52.982 52.982 58.206 -5.224 18219 7165 1 14 . 1 1 87 87 MET CB C 78 32.173 32.173 31.442 0.731 18219 7166 1 14 . 1 1 87 87 MET H H 78 7.950 7.950 8.115 -0.165 18219 7167 1 14 . 1 1 88 88 PRO HA H 79 4.140 4.140 4.493 -0.353 18219 7168 1 14 . 1 1 88 88 PRO C C 79 173.921 173.921 176.158 -2.237 18219 7169 1 14 . 1 1 88 88 PRO CA C 79 62.800 62.800 62.522 0.278 18219 7170 1 14 . 1 1 88 88 PRO CB C 79 31.136 31.136 29.928 1.208 18219 7171 1 14 . 1 1 89 89 ALA N N 80 124.431 124.431 127.864 -3.433 18219 7172 1 14 . 1 1 89 89 ALA HA H 80 4.400 4.400 4.231 0.169 18219 7173 1 14 . 1 1 89 89 ALA C C 80 176.234 176.234 179.087 -2.853 18219 7174 1 14 . 1 1 89 89 ALA CA C 80 53.300 53.300 54.951 -1.651 18219 7175 1 14 . 1 1 89 89 ALA CB C 80 18.498 18.498 18.920 -0.422 18219 7176 1 14 . 1 1 89 89 ALA H H 80 8.320 8.320 7.992 0.328 18219 7177 1 14 . 1 1 90 90 GLY N N 81 106.834 106.834 106.767 0.067 18219 7178 1 14 . 1 1 90 90 GLY C C 81 172.398 172.398 176.050 -3.652 18219 7179 1 14 . 1 1 90 90 GLY CA C 81 45.600 45.600 46.533 -0.933 18219 7180 1 14 . 1 1 90 90 GLY H H 81 8.458 8.458 8.723 -0.265 18219 7181 1 14 . 1 1 91 91 LEU N N 82 121.043 121.043 121.614 -0.571 18219 7182 1 14 . 1 1 91 91 LEU HA H 82 4.200 4.200 4.143 0.057 18219 7183 1 14 . 1 1 91 91 LEU C C 82 174.783 174.783 178.799 -4.016 18219 7184 1 14 . 1 1 91 91 LEU CA C 82 56.300 56.300 57.511 -1.212 18219 7185 1 14 . 1 1 91 91 LEU CB C 82 42.106 42.106 41.375 0.731 18219 7186 1 14 . 1 1 91 91 LEU H H 82 7.687 7.687 7.855 -0.168 18219 7187 1 14 . 1 1 92 92 VAL N N 83 114.737 114.737 118.570 -3.833 18219 7188 1 14 . 1 1 92 92 VAL HA H 83 3.980 3.980 3.542 0.438 18219 7189 1 14 . 1 1 92 92 VAL C C 83 173.634 173.634 177.703 -4.069 18219 7190 1 14 . 1 1 92 92 VAL CA C 83 62.400 62.400 67.255 -4.856 18219 7191 1 14 . 1 1 92 92 VAL CB C 83 31.585 31.585 31.483 0.102 18219 7192 1 14 . 1 1 92 92 VAL H H 83 7.602 7.602 7.469 0.133 18219 7193 1 14 . 1 1 93 93 ALA N N 84 124.320 124.320 121.293 3.027 18219 7194 1 14 . 1 1 93 93 ALA HA H 84 4.150 4.150 3.982 0.168 18219 7195 1 14 . 1 1 93 93 ALA C C 84 175.746 175.746 179.824 -4.078 18219 7196 1 14 . 1 1 93 93 ALA CA C 84 53.300 53.300 55.356 -2.057 18219 7197 1 14 . 1 1 93 93 ALA CB C 84 18.241 18.241 17.916 0.325 18219 7198 1 14 . 1 1 93 93 ALA H H 84 7.891 7.891 7.916 -0.025 18219 7199 1 14 . 1 1 94 94 GLY N N 85 106.807 106.807 107.418 -0.611 18219 7200 1 14 . 1 1 94 94 GLY C C 85 171.752 171.752 175.837 -4.085 18219 7201 1 14 . 1 1 94 94 GLY CA C 85 45.249 45.249 46.595 -1.346 18219 7202 1 14 . 1 1 94 94 GLY H H 85 8.204 8.204 7.993 0.211 18219 7203 1 14 . 1 1 95 95 LEU N N 86 121.266 121.266 122.574 -1.308 18219 7204 1 14 . 1 1 95 95 LEU HA H 86 4.380 4.380 4.135 0.245 18219 7205 1 14 . 1 1 95 95 LEU C C 86 173.702 173.702 178.889 -5.187 18219 7206 1 14 . 1 1 95 95 LEU CA C 86 55.000 55.000 57.588 -2.588 18219 7207 1 14 . 1 1 95 95 LEU CB C 86 42.298 42.298 41.367 0.931 18219 7208 1 14 . 1 1 95 95 LEU H H 86 7.718 7.718 8.032 -0.314 18219 7209 1 14 . 1 1 96 96 SER N N 87 115.658 115.658 115.305 0.353 18219 7210 1 14 . 1 1 96 96 SER HA H 87 4.370 4.370 4.217 0.153 18219 7211 1 14 . 1 1 96 96 SER C C 87 172.479 172.479 177.015 -4.536 18219 7212 1 14 . 1 1 96 96 SER CA C 87 57.200 57.200 62.034 -4.834 18219 7213 1 14 . 1 1 96 96 SER CB C 87 64.174 64.174 63.050 1.124 18219 7214 1 14 . 1 1 96 96 SER H H 87 7.659 7.659 8.273 -0.614 18219 7215 1 14 . 1 1 97 97 LEU N N 88 123.720 123.720 122.504 1.216 18219 7216 1 14 . 1 1 97 97 LEU HA H 88 4.600 4.600 4.019 0.581 18219 7217 1 14 . 1 1 97 97 LEU C C 88 175.932 175.932 179.256 -3.324 18219 7218 1 14 . 1 1 97 97 LEU CA C 88 57.600 57.600 57.629 -0.029 18219 7219 1 14 . 1 1 97 97 LEU CB C 88 41.400 41.400 41.975 -0.575 18219 7220 1 14 . 1 1 97 97 LEU H H 88 8.733 8.733 8.177 0.556 18219 7221 1 14 . 1 1 98 98 MET N N 89 116.684 116.684 120.070 -3.386 18219 7222 1 14 . 1 1 98 98 MET HA H 89 4.280 4.280 4.143 0.137 18219 7223 1 14 . 1 1 98 98 MET C C 89 175.789 175.789 178.013 -2.224 18219 7224 1 14 . 1 1 98 98 MET CA C 89 56.915 56.915 59.020 -2.105 18219 7225 1 14 . 1 1 98 98 MET CB C 89 31.007 31.007 32.857 -1.850 18219 7226 1 14 . 1 1 98 98 MET H H 89 8.342 8.342 8.373 -0.031 18219 7227 1 14 . 1 1 99 99 MET N N 90 119.182 119.182 117.238 1.944 18219 7228 1 14 . 1 1 99 99 MET HA H 90 4.110 4.110 4.144 -0.034 18219 7229 1 14 . 1 1 99 99 MET C C 90 175.588 175.588 178.886 -3.298 18219 7230 1 14 . 1 1 99 99 MET CA C 90 57.951 57.951 58.873 -0.923 18219 7231 1 14 . 1 1 99 99 MET CB C 90 32.226 32.226 32.082 0.144 18219 7232 1 14 . 1 1 99 99 MET H H 90 7.720 7.720 8.171 -0.451 18219 7233 1 14 . 1 1 100 100 ILE N N 91 119.077 119.077 120.008 -0.931 18219 7234 1 14 . 1 1 100 100 ILE HA H 91 4.110 4.110 3.934 0.176 18219 7235 1 14 . 1 1 100 100 ILE C C 91 174.634 174.634 177.276 -2.642 18219 7236 1 14 . 1 1 100 100 ILE CA C 91 64.100 64.100 64.276 -0.176 18219 7237 1 14 . 1 1 100 100 ILE CB C 91 37.143 37.143 38.529 -1.386 18219 7238 1 14 . 1 1 100 100 ILE H H 91 7.662 7.662 8.266 -0.604 18219 7239 1 14 . 1 1 101 101 LEU N N 92 119.646 119.646 121.107 -1.461 18219 7240 1 14 . 1 1 101 101 LEU HA H 92 4.530 4.530 4.065 0.465 18219 7241 1 14 . 1 1 101 101 LEU C C 92 175.430 175.430 178.058 -2.628 18219 7242 1 14 . 1 1 101 101 LEU CA C 92 57.800 57.800 57.534 0.266 18219 7243 1 14 . 1 1 101 101 LEU CB C 92 40.758 40.758 41.839 -1.081 18219 7244 1 14 . 1 1 101 101 LEU H H 92 8.142 8.142 7.710 0.432 18219 7245 1 14 . 1 1 102 102 ARG N N 93 116.394 116.394 117.552 -1.158 18219 7246 1 14 . 1 1 102 102 ARG HA H 93 4.140 4.140 4.351 -0.211 18219 7247 1 14 . 1 1 102 102 ARG C C 93 175.961 175.961 178.451 -2.490 18219 7248 1 14 . 1 1 102 102 ARG CA C 93 59.100 59.100 57.544 1.556 18219 7249 1 14 . 1 1 102 102 ARG CB C 93 29.404 29.404 30.909 -1.505 18219 7250 1 14 . 1 1 102 102 ARG H H 93 7.893 7.893 8.104 -0.211 18219 7251 1 14 . 1 1 103 103 LEU N N 94 119.114 119.114 121.013 -1.899 18219 7252 1 14 . 1 1 103 103 LEU HA H 94 4.110 4.110 4.115 -0.005 18219 7253 1 14 . 1 1 103 103 LEU C C 94 175.889 175.889 178.023 -2.134 18219 7254 1 14 . 1 1 103 103 LEU CA C 94 57.300 57.300 57.119 0.181 18219 7255 1 14 . 1 1 103 103 LEU CB C 94 41.296 41.296 41.741 -0.445 18219 7256 1 14 . 1 1 103 103 LEU H H 94 7.622 7.622 7.826 -0.204 18219 7257 1 14 . 1 1 104 104 VAL N N 95 117.704 117.704 118.255 -0.551 18219 7258 1 14 . 1 1 104 104 VAL HA H 95 3.530 3.530 3.694 -0.164 18219 7259 1 14 . 1 1 104 104 VAL C C 95 175.042 175.042 177.715 -2.673 18219 7260 1 14 . 1 1 104 104 VAL CA C 95 66.419 66.419 65.524 0.895 18219 7261 1 14 . 1 1 104 104 VAL CB C 95 31.357 31.357 31.868 -0.511 18219 7262 1 14 . 1 1 104 104 VAL H H 95 8.026 8.026 7.769 0.257 18219 7263 1 14 . 1 1 105 105 LEU N N 96 117.185 117.185 113.928 3.257 18219 7264 1 14 . 1 1 105 105 LEU HA H 96 3.980 3.980 4.466 -0.486 18219 7265 1 14 . 1 1 105 105 LEU C C 96 176.579 176.579 177.784 -1.205 18219 7266 1 14 . 1 1 105 105 LEU CA C 96 56.800 56.800 55.020 1.780 18219 7267 1 14 . 1 1 105 105 LEU CB C 96 40.951 40.951 42.582 -1.631 18219 7268 1 14 . 1 1 105 105 LEU H H 96 7.893 7.893 7.526 0.367 18219 7269 1 14 . 1 1 106 106 LEU N N 97 118.471 118.471 119.603 -1.132 18219 7270 1 14 . 1 1 106 106 LEU HA H 97 4.180 4.180 3.891 0.289 18219 7271 1 14 . 1 1 106 106 LEU C C 97 175.802 175.802 176.685 -0.883 18219 7272 1 14 . 1 1 106 106 LEU CA C 97 56.300 56.300 55.843 0.457 18219 7273 1 14 . 1 1 106 106 LEU CB C 97 41.592 41.592 41.100 0.492 18219 7274 1 14 . 1 1 106 106 LEU H H 97 7.545 7.545 7.864 -0.319 18219 7275 1 14 . 1 1 107 107 LEU N N 98 118.162 118.162 117.901 0.261 18219 7276 1 14 . 1 1 107 107 LEU HA H 98 4.230 4.230 4.176 0.054 18219 7277 1 14 . 1 1 107 107 LEU C C 98 174.174 174.174 177.805 -3.631 18219 7278 1 14 . 1 1 107 107 LEU CA C 98 56.283 56.283 55.728 0.555 18219 7279 1 14 . 1 1 107 107 LEU CB C 98 42.362 42.362 42.371 -0.009 18219 7280 1 14 . 1 1 107 107 LEU H H 98 7.688 7.688 7.893 -0.205 18219 7281 1 15 . 1 1 11 11 ASP N N 2 120.536 120.536 123.327 -2.791 18219 7282 1 15 . 1 1 11 11 ASP CA C 2 55.918 55.918 54.288 1.630 18219 7283 1 15 . 1 1 11 11 ASP CB C 2 37.959 37.959 40.444 -2.485 18219 7284 1 15 . 1 1 11 11 ASP H H 2 7.863 7.863 8.407 -0.544 18219 7285 1 15 . 1 1 12 12 LEU N N 3 121.414 121.414 125.438 -4.024 18219 7286 1 15 . 1 1 12 12 LEU C C 3 176.162 176.162 178.387 -2.225 18219 7287 1 15 . 1 1 12 12 LEU CA C 3 57.600 57.600 56.838 0.762 18219 7288 1 15 . 1 1 12 12 LEU CB C 3 41.657 41.657 42.411 -0.754 18219 7289 1 15 . 1 1 12 12 LEU H H 3 8.285 8.285 8.218 0.067 18219 7290 1 15 . 1 1 13 13 ILE N N 4 118.854 118.854 118.156 0.698 18219 7291 1 15 . 1 1 13 13 ILE HA H 4 3.740 3.740 3.795 -0.055 18219 7292 1 15 . 1 1 13 13 ILE C C 4 175.228 175.228 177.859 -2.631 18219 7293 1 15 . 1 1 13 13 ILE CA C 4 64.500 64.500 63.288 1.212 18219 7294 1 15 . 1 1 13 13 ILE CB C 4 37.102 37.102 38.274 -1.172 18219 7295 1 15 . 1 1 13 13 ILE H H 4 8.031 8.031 8.000 0.031 18219 7296 1 15 . 1 1 14 14 GLY N N 5 107.478 107.478 107.409 0.069 18219 7297 1 15 . 1 1 14 14 GLY C C 5 174.424 174.424 175.765 -1.341 18219 7298 1 15 . 1 1 14 14 GLY CA C 5 47.059 47.059 46.251 0.808 18219 7299 1 15 . 1 1 14 14 GLY H H 5 8.148 8.148 8.236 -0.088 18219 7300 1 15 . 1 1 15 15 PHE N N 6 122.774 122.774 123.510 -0.736 18219 7301 1 15 . 1 1 15 15 PHE HA H 6 4.480 4.480 4.236 0.244 18219 7302 1 15 . 1 1 15 15 PHE C C 6 175.113 175.113 177.076 -1.963 18219 7303 1 15 . 1 1 15 15 PHE CA C 6 60.017 60.017 62.049 -2.032 18219 7304 1 15 . 1 1 15 15 PHE CB C 6 38.774 38.774 38.685 0.089 18219 7305 1 15 . 1 1 15 15 PHE H H 6 8.194 8.194 7.993 0.201 18219 7306 1 15 . 1 1 16 16 GLY N N 7 107.938 107.938 106.424 1.514 18219 7307 1 15 . 1 1 16 16 GLY C C 7 171.838 171.838 175.630 -3.792 18219 7308 1 15 . 1 1 16 16 GLY CA C 7 47.100 47.100 47.355 -0.255 18219 7309 1 15 . 1 1 16 16 GLY H H 7 8.697 8.697 8.572 0.125 18219 7310 1 15 . 1 1 17 17 TYR N N 8 121.785 121.785 123.578 -1.793 18219 7311 1 15 . 1 1 17 17 TYR HA H 8 4.150 4.150 4.099 0.051 18219 7312 1 15 . 1 1 17 17 TYR C C 8 174.180 174.180 177.667 -3.487 18219 7313 1 15 . 1 1 17 17 TYR CA C 8 61.300 61.300 61.163 0.137 18219 7314 1 15 . 1 1 17 17 TYR CB C 8 37.959 37.959 38.394 -0.435 18219 7315 1 15 . 1 1 17 17 TYR H H 8 8.710 8.710 8.206 0.504 18219 7316 1 15 . 1 1 18 18 ALA N N 9 120.233 120.233 119.972 0.261 18219 7317 1 15 . 1 1 18 18 ALA HA H 9 3.950 3.950 3.943 0.007 18219 7318 1 15 . 1 1 18 18 ALA C C 9 178.059 178.059 178.847 -0.788 18219 7319 1 15 . 1 1 18 18 ALA CA C 9 54.872 54.872 54.495 0.377 18219 7320 1 15 . 1 1 18 18 ALA CB C 9 17.562 17.562 18.049 -0.487 18219 7321 1 15 . 1 1 18 18 ALA H H 9 7.843 7.843 8.334 -0.491 18219 7322 1 15 . 1 1 19 19 ALA N N 10 121.797 121.797 123.031 -1.234 18219 7323 1 15 . 1 1 19 19 ALA HA H 10 3.950 3.950 4.065 -0.115 18219 7324 1 15 . 1 1 19 19 ALA C C 10 176.191 176.191 179.464 -3.273 18219 7325 1 15 . 1 1 19 19 ALA CA C 10 54.600 54.600 54.965 -0.365 18219 7326 1 15 . 1 1 19 19 ALA CB C 10 17.562 17.562 18.348 -0.786 18219 7327 1 15 . 1 1 19 19 ALA H H 10 8.212 8.212 7.924 0.288 18219 7328 1 15 . 1 1 20 20 LEU N N 11 119.442 119.442 117.522 1.920 18219 7329 1 15 . 1 1 20 20 LEU HA H 11 3.937 3.937 3.961 -0.024 18219 7330 1 15 . 1 1 20 20 LEU C C 11 176.694 176.694 178.880 -2.186 18219 7331 1 15 . 1 1 20 20 LEU CA C 11 57.800 57.800 57.924 -0.124 18219 7332 1 15 . 1 1 20 20 LEU CB C 11 41.222 41.222 40.928 0.294 18219 7333 1 15 . 1 1 20 20 LEU H H 11 8.065 8.065 8.270 -0.205 18219 7334 1 15 . 1 1 21 21 VAL N N 12 118.323 118.323 120.518 -2.195 18219 7335 1 15 . 1 1 21 21 VAL HA H 12 3.640 3.640 3.520 0.120 18219 7336 1 15 . 1 1 21 21 VAL C C 12 176.536 176.536 178.403 -1.867 18219 7337 1 15 . 1 1 21 21 VAL CA C 12 65.400 65.400 66.429 -1.029 18219 7338 1 15 . 1 1 21 21 VAL CB C 12 31.135 31.135 30.738 0.397 18219 7339 1 15 . 1 1 21 21 VAL H H 12 8.051 8.051 8.226 -0.174 18219 7340 1 15 . 1 1 22 22 THR N N 13 118.298 118.298 116.848 1.450 18219 7341 1 15 . 1 1 22 22 THR HA H 13 4.660 4.660 3.983 0.677 18219 7342 1 15 . 1 1 22 22 THR C C 13 173.734 173.734 176.532 -2.798 18219 7343 1 15 . 1 1 22 22 THR CA C 13 66.300 66.300 67.213 -0.913 18219 7344 1 15 . 1 1 22 22 THR CB C 13 67.775 67.775 68.733 -0.958 18219 7345 1 15 . 1 1 22 22 THR H H 13 7.944 7.944 7.902 0.042 18219 7346 1 15 . 1 1 23 23 PHE N N 14 121.328 121.328 122.448 -1.120 18219 7347 1 15 . 1 1 23 23 PHE HA H 14 4.340 4.340 4.230 0.110 18219 7348 1 15 . 1 1 23 23 PHE C C 14 174.783 174.783 177.417 -2.634 18219 7349 1 15 . 1 1 23 23 PHE CA C 14 60.500 60.500 61.979 -1.479 18219 7350 1 15 . 1 1 23 23 PHE CB C 14 38.626 38.626 38.983 -0.357 18219 7351 1 15 . 1 1 23 23 PHE H H 14 8.567 8.567 8.494 0.073 18219 7352 1 15 . 1 1 24 24 GLY N N 15 106.871 106.871 105.153 1.718 18219 7353 1 15 . 1 1 24 24 GLY C C 15 172.858 172.858 176.720 -3.862 18219 7354 1 15 . 1 1 24 24 GLY CA C 15 46.900 46.900 47.198 -0.298 18219 7355 1 15 . 1 1 24 24 GLY H H 15 8.475 8.475 9.025 -0.550 18219 7356 1 15 . 1 1 25 25 SER N N 16 116.214 116.214 118.456 -2.242 18219 7357 1 15 . 1 1 25 25 SER HA H 16 4.280 4.280 4.278 0.002 18219 7358 1 15 . 1 1 25 25 SER CA C 16 60.300 60.300 61.560 -1.260 18219 7359 1 15 . 1 1 25 25 SER CB C 16 62.879 62.879 62.973 -0.094 18219 7360 1 15 . 1 1 25 25 SER H H 16 7.963 7.963 8.008 -0.045 18219 7361 1 15 . 1 1 26 26 ILE N N 17 121.024 121.024 121.295 -0.271 18219 7362 1 15 . 1 1 26 26 ILE HA H 17 3.946 3.946 3.912 0.034 18219 7363 1 15 . 1 1 26 26 ILE C C 17 173.935 173.935 178.008 -4.073 18219 7364 1 15 . 1 1 26 26 ILE CA C 17 63.100 63.100 65.222 -2.122 18219 7365 1 15 . 1 1 26 26 ILE CB C 17 38.107 38.107 38.177 -0.070 18219 7366 1 15 . 1 1 26 26 ILE H H 17 7.676 7.676 7.966 -0.290 18219 7367 1 15 . 1 1 27 27 PHE N N 18 117.142 117.142 120.284 -3.142 18219 7368 1 15 . 1 1 27 27 PHE HA H 18 4.430 4.430 4.159 0.271 18219 7369 1 15 . 1 1 27 27 PHE C C 18 173.504 173.504 177.329 -3.825 18219 7370 1 15 . 1 1 27 27 PHE CA C 18 58.500 58.500 60.412 -1.912 18219 7371 1 15 . 1 1 27 27 PHE CB C 18 38.774 38.774 38.825 -0.051 18219 7372 1 15 . 1 1 27 27 PHE H H 18 7.703 7.703 8.359 -0.656 18219 7373 1 15 . 1 1 28 28 GLY N N 19 107.303 107.303 106.724 0.579 18219 7374 1 15 . 1 1 28 28 GLY C C 19 171.593 171.593 174.325 -2.732 18219 7375 1 15 . 1 1 28 28 GLY CA C 19 45.600 45.600 45.397 0.203 18219 7376 1 15 . 1 1 28 28 GLY H H 19 7.722 7.722 7.611 0.111 18219 7377 1 15 . 1 1 29 29 TYR N N 20 119.862 119.862 121.245 -1.383 18219 7378 1 15 . 1 1 29 29 TYR HA H 20 4.392 4.392 4.116 0.276 18219 7379 1 15 . 1 1 29 29 TYR C C 20 173.174 173.174 174.842 -1.668 18219 7380 1 15 . 1 1 29 29 TYR CA C 20 58.500 58.500 58.230 0.270 18219 7381 1 15 . 1 1 29 29 TYR CB C 20 38.404 38.404 37.038 1.366 18219 7382 1 15 . 1 1 29 29 TYR H H 20 7.880 7.880 8.052 -0.172 18219 7383 1 15 . 1 1 30 30 LYS N N 21 122.335 122.335 124.955 -2.620 18219 7384 1 15 . 1 1 30 30 LYS HA H 21 4.390 4.390 4.172 0.218 18219 7385 1 15 . 1 1 30 30 LYS C C 21 173.547 173.547 176.024 -2.477 18219 7386 1 15 . 1 1 30 30 LYS CA C 21 55.800 55.800 57.053 -1.253 18219 7387 1 15 . 1 1 30 30 LYS CB C 21 32.396 32.396 33.013 -0.617 18219 7388 1 15 . 1 1 30 30 LYS H H 21 7.934 7.934 8.404 -0.470 18219 7389 1 15 . 1 1 31 31 ARG N N 22 120.612 120.612 120.100 0.512 18219 7390 1 15 . 1 1 31 31 ARG C C 22 173.547 173.547 175.681 -2.134 18219 7391 1 15 . 1 1 31 31 ARG CA C 22 55.834 55.834 55.579 0.255 18219 7392 1 15 . 1 1 31 31 ARG CB C 22 30.101 30.101 30.295 -0.194 18219 7393 1 15 . 1 1 31 31 ARG H H 22 7.905 7.905 8.571 -0.666 18219 7394 1 15 . 1 1 32 32 ARG N N 23 121.748 121.748 120.940 0.808 18219 7395 1 15 . 1 1 32 32 ARG HA H 23 4.310 4.310 4.315 -0.005 18219 7396 1 15 . 1 1 32 32 ARG C C 23 173.863 173.863 176.262 -2.399 18219 7397 1 15 . 1 1 32 32 ARG CA C 23 55.800 55.800 57.208 -1.408 18219 7398 1 15 . 1 1 32 32 ARG CB C 23 30.245 30.245 30.610 -0.365 18219 7399 1 15 . 1 1 32 32 ARG H H 23 8.175 8.175 8.219 -0.044 18219 7400 1 15 . 1 1 33 33 GLY N N 24 109.528 109.528 104.964 4.564 18219 7401 1 15 . 1 1 33 33 GLY C C 24 171.752 171.752 173.612 -1.860 18219 7402 1 15 . 1 1 33 33 GLY CA C 24 44.900 44.900 44.662 0.238 18219 7403 1 15 . 1 1 33 33 GLY H H 24 8.264 8.264 8.975 -0.711 18219 7404 1 15 . 1 1 34 34 GLY N N 25 108.563 108.563 108.977 -0.414 18219 7405 1 15 . 1 1 34 34 GLY C C 25 171.701 171.701 174.469 -2.768 18219 7406 1 15 . 1 1 34 34 GLY CA C 25 44.600 44.600 44.446 0.154 18219 7407 1 15 . 1 1 34 34 GLY H H 25 8.208 8.208 8.160 0.048 18219 7408 1 15 . 1 1 35 35 VAL N N 26 121.164 121.164 120.733 0.431 18219 7409 1 15 . 1 1 35 35 VAL HA H 26 4.010 4.010 4.022 -0.012 18219 7410 1 15 . 1 1 35 35 VAL C C 26 175.888 175.888 174.905 0.983 18219 7411 1 15 . 1 1 35 35 VAL CA C 26 63.900 63.900 63.673 0.227 18219 7412 1 15 . 1 1 35 35 VAL CB C 26 30.690 30.690 31.582 -0.892 18219 7413 1 15 . 1 1 35 35 VAL H H 26 8.485 8.485 8.200 0.285 18219 7414 1 15 . 1 1 36 36 PRO C C 27 177.660 177.660 175.856 1.804 18219 7415 1 15 . 1 1 36 36 PRO CA C 27 61.847 61.847 62.917 -1.070 18219 7416 1 15 . 1 1 37 37 SER N N 28 116.023 116.023 115.982 0.041 18219 7417 1 15 . 1 1 37 37 SER HA H 28 4.280 4.280 4.405 -0.125 18219 7418 1 15 . 1 1 37 37 SER CA C 28 61.100 61.100 58.647 2.453 18219 7419 1 15 . 1 1 37 37 SER H H 28 7.948 7.948 8.548 -0.600 18219 7420 1 15 . 1 1 38 38 LEU N N 29 124.029 124.029 122.183 1.846 18219 7421 1 15 . 1 1 38 38 LEU HA H 29 4.170 4.170 4.089 0.081 18219 7422 1 15 . 1 1 38 38 LEU C C 29 176.132 176.132 178.622 -2.490 18219 7423 1 15 . 1 1 38 38 LEU CA C 29 57.500 57.500 58.022 -0.522 18219 7424 1 15 . 1 1 38 38 LEU CB C 29 42.038 42.038 41.023 1.015 18219 7425 1 15 . 1 1 38 38 LEU H H 29 8.201 8.201 7.993 0.208 18219 7426 1 15 . 1 1 39 39 ILE N N 30 117.098 117.098 119.137 -2.039 18219 7427 1 15 . 1 1 39 39 ILE HA H 30 4.370 4.370 3.974 0.396 18219 7428 1 15 . 1 1 39 39 ILE C C 30 176.478 176.478 177.350 -0.872 18219 7429 1 15 . 1 1 39 39 ILE CA C 30 63.079 63.079 62.063 1.016 18219 7430 1 15 . 1 1 39 39 ILE CB C 30 36.973 36.973 36.976 -0.003 18219 7431 1 15 . 1 1 39 39 ILE H H 30 7.662 7.662 8.166 -0.504 18219 7432 1 15 . 1 1 40 40 ALA N N 31 122.447 122.447 122.861 -0.414 18219 7433 1 15 . 1 1 40 40 ALA HA H 31 4.034 4.034 4.091 -0.057 18219 7434 1 15 . 1 1 40 40 ALA C C 31 177.067 177.067 179.766 -2.699 18219 7435 1 15 . 1 1 40 40 ALA CA C 31 55.962 55.962 55.584 0.378 18219 7436 1 15 . 1 1 40 40 ALA CB C 31 17.856 17.856 17.999 -0.143 18219 7437 1 15 . 1 1 40 40 ALA H H 31 8.096 8.096 8.213 -0.117 18219 7438 1 15 . 1 1 41 41 GLY N N 32 104.056 104.056 107.536 -3.480 18219 7439 1 15 . 1 1 41 41 GLY C C 32 174.251 174.251 176.014 -1.763 18219 7440 1 15 . 1 1 41 41 GLY CA C 32 46.500 46.500 46.951 -0.451 18219 7441 1 15 . 1 1 41 41 GLY H H 32 8.123 8.123 8.295 -0.172 18219 7442 1 15 . 1 1 42 42 LEU N N 33 123.250 123.250 123.015 0.235 18219 7443 1 15 . 1 1 42 42 LEU HA H 33 3.857 3.857 4.040 -0.183 18219 7444 1 15 . 1 1 42 42 LEU C C 33 176.033 176.033 178.241 -2.208 18219 7445 1 15 . 1 1 42 42 LEU CA C 33 56.668 56.668 57.916 -1.248 18219 7446 1 15 . 1 1 42 42 LEU CB C 33 41.721 41.721 42.019 -0.298 18219 7447 1 15 . 1 1 42 42 LEU H H 33 7.914 7.914 8.210 -0.296 18219 7448 1 15 . 1 1 43 43 PHE N N 34 119.757 119.757 119.449 0.308 18219 7449 1 15 . 1 1 43 43 PHE HA H 34 4.200 4.200 4.095 0.105 18219 7450 1 15 . 1 1 43 43 PHE C C 34 174.374 174.374 177.339 -2.965 18219 7451 1 15 . 1 1 43 43 PHE CA C 34 59.876 59.876 62.249 -2.373 18219 7452 1 15 . 1 1 43 43 PHE CB C 34 38.834 38.834 39.058 -0.224 18219 7453 1 15 . 1 1 43 43 PHE H H 34 8.287 8.287 8.035 0.252 18219 7454 1 15 . 1 1 44 44 VAL N N 35 117.791 117.791 118.315 -0.524 18219 7455 1 15 . 1 1 44 44 VAL HA H 35 3.610 3.610 3.720 -0.110 18219 7456 1 15 . 1 1 44 44 VAL C C 35 176.205 176.205 178.675 -2.470 18219 7457 1 15 . 1 1 44 44 VAL CA C 35 64.559 64.559 66.803 -2.244 18219 7458 1 15 . 1 1 44 44 VAL CB C 35 31.432 31.432 30.833 0.599 18219 7459 1 15 . 1 1 44 44 VAL H H 35 8.235 8.235 8.305 -0.070 18219 7460 1 15 . 1 1 45 45 GLY N N 36 108.551 108.551 107.435 1.116 18219 7461 1 15 . 1 1 45 45 GLY C C 36 173.749 173.749 175.807 -2.058 18219 7462 1 15 . 1 1 45 45 GLY CA C 36 46.083 46.083 47.144 -1.061 18219 7463 1 15 . 1 1 45 45 GLY H H 36 8.178 8.178 8.443 -0.265 18219 7464 1 15 . 1 1 46 46 CYS N N 37 121.173 121.173 122.271 -1.098 18219 7465 1 15 . 1 1 46 46 CYS HA H 37 4.180 4.180 4.162 0.018 18219 7466 1 15 . 1 1 46 46 CYS C C 37 173.710 173.710 176.480 -2.770 18219 7467 1 15 . 1 1 46 46 CYS CA C 37 63.000 63.000 63.648 -0.648 18219 7468 1 15 . 1 1 46 46 CYS CB C 37 60.283 60.283 27.791 32.492 18219 7469 1 15 . 1 1 46 46 CYS H H 37 8.253 8.253 8.138 0.115 18219 7470 1 15 . 1 1 47 47 LEU N N 38 120.283 120.283 120.360 -0.077 18219 7471 1 15 . 1 1 47 47 LEU HA H 38 4.060 4.060 3.966 0.094 18219 7472 1 15 . 1 1 47 47 LEU C C 38 176.679 176.679 177.947 -1.268 18219 7473 1 15 . 1 1 47 47 LEU CA C 38 56.027 56.027 58.045 -2.018 18219 7474 1 15 . 1 1 47 47 LEU CB C 38 41.464 41.464 40.727 0.737 18219 7475 1 15 . 1 1 47 47 LEU H H 38 7.965 7.965 8.496 -0.531 18219 7476 1 15 . 1 1 48 48 ALA N N 39 122.249 122.249 121.529 0.720 18219 7477 1 15 . 1 1 48 48 ALA HA H 39 4.142 4.142 4.014 0.128 18219 7478 1 15 . 1 1 48 48 ALA C C 39 177.915 177.915 179.794 -1.879 18219 7479 1 15 . 1 1 48 48 ALA CA C 39 53.717 53.717 55.350 -1.633 18219 7480 1 15 . 1 1 48 48 ALA CB C 39 17.985 17.985 17.967 0.018 18219 7481 1 15 . 1 1 48 48 ALA H H 39 8.066 8.066 7.985 0.081 18219 7482 1 15 . 1 1 49 49 GLY N N 40 107.377 107.377 107.150 0.227 18219 7483 1 15 . 1 1 49 49 GLY C C 40 172.527 172.527 175.823 -3.296 18219 7484 1 15 . 1 1 49 49 GLY CA C 40 45.450 45.450 46.779 -1.329 18219 7485 1 15 . 1 1 49 49 GLY H H 40 8.172 8.172 8.275 -0.103 18219 7486 1 15 . 1 1 50 50 TYR N N 41 122.409 122.409 123.449 -1.040 18219 7487 1 15 . 1 1 50 50 TYR HA H 41 3.799 3.799 4.348 -0.549 18219 7488 1 15 . 1 1 50 50 TYR C C 41 174.208 174.208 177.637 -3.429 18219 7489 1 15 . 1 1 50 50 TYR CA C 41 59.245 59.245 60.778 -1.533 18219 7490 1 15 . 1 1 50 50 TYR CB C 41 37.936 37.936 38.458 -0.522 18219 7491 1 15 . 1 1 50 50 TYR H H 41 7.800 7.800 8.509 -0.709 18219 7492 1 15 . 1 1 51 51 GLY N N 42 106.935 106.935 107.222 -0.287 18219 7493 1 15 . 1 1 51 51 GLY C C 42 172.642 172.642 175.095 -2.453 18219 7494 1 15 . 1 1 51 51 GLY CA C 42 46.265 46.265 45.489 0.776 18219 7495 1 15 . 1 1 51 51 GLY H H 42 8.199 8.199 7.970 0.229 18219 7496 1 15 . 1 1 52 52 ALA N N 43 123.018 123.018 124.648 -1.630 18219 7497 1 15 . 1 1 52 52 ALA HA H 43 4.150 4.150 4.078 0.072 18219 7498 1 15 . 1 1 52 52 ALA C C 43 176.398 176.398 177.784 -1.386 18219 7499 1 15 . 1 1 52 52 ALA CA C 43 52.883 52.883 53.531 -0.647 18219 7500 1 15 . 1 1 52 52 ALA CB C 43 18.241 18.241 19.182 -0.941 18219 7501 1 15 . 1 1 52 52 ALA H H 43 7.758 7.758 8.067 -0.309 18219 7502 1 15 . 1 1 53 53 TYR N N 44 119.664 119.664 116.431 3.233 18219 7503 1 15 . 1 1 53 53 TYR HA H 44 4.318 4.318 3.981 0.337 18219 7504 1 15 . 1 1 53 53 TYR C C 44 174.180 174.180 175.666 -1.486 18219 7505 1 15 . 1 1 53 53 TYR CA C 44 58.593 58.593 59.309 -0.716 18219 7506 1 15 . 1 1 53 53 TYR CB C 44 38.192 38.192 36.894 1.298 18219 7507 1 15 . 1 1 53 53 TYR H H 44 7.920 7.920 8.180 -0.260 18219 7508 1 15 . 1 1 54 54 ARG N N 45 119.516 119.516 115.087 4.429 18219 7509 1 15 . 1 1 54 54 ARG HA H 45 3.930 3.930 4.128 -0.198 18219 7510 1 15 . 1 1 54 54 ARG C C 45 174.423 174.423 175.398 -0.975 18219 7511 1 15 . 1 1 54 54 ARG CA C 45 56.027 56.027 56.983 -0.956 18219 7512 1 15 . 1 1 54 54 ARG CB C 45 30.173 30.173 30.500 -0.327 18219 7513 1 15 . 1 1 54 54 ARG H H 45 7.956 7.956 8.145 -0.189 18219 7514 1 15 . 1 1 55 55 VAL N N 46 116.437 116.437 118.476 -2.039 18219 7515 1 15 . 1 1 55 55 VAL HA H 46 4.060 4.060 3.823 0.237 18219 7516 1 15 . 1 1 55 55 VAL C C 46 173.806 173.806 175.267 -1.461 18219 7517 1 15 . 1 1 55 55 VAL CA C 46 62.300 62.300 64.426 -2.126 18219 7518 1 15 . 1 1 55 55 VAL CB C 46 31.521 31.521 31.800 -0.279 18219 7519 1 15 . 1 1 55 55 VAL H H 46 7.489 7.489 8.288 -0.799 18219 7520 1 15 . 1 1 56 56 SER N N 47 117.185 117.185 112.293 4.892 18219 7521 1 15 . 1 1 56 56 SER HA H 47 4.401 4.401 4.647 -0.246 18219 7522 1 15 . 1 1 56 56 SER C C 47 172.074 172.074 175.481 -3.407 18219 7523 1 15 . 1 1 56 56 SER CA C 47 58.133 58.133 58.017 0.116 18219 7524 1 15 . 1 1 56 56 SER CB C 47 63.468 63.468 64.391 -0.923 18219 7525 1 15 . 1 1 56 56 SER H H 47 7.728 7.728 7.367 0.361 18219 7526 1 15 . 1 1 57 57 ASN N N 48 121.049 121.049 125.694 -4.645 18219 7527 1 15 . 1 1 57 57 ASN HA H 48 4.590 4.590 4.385 0.205 18219 7528 1 15 . 1 1 57 57 ASN CA C 48 53.600 53.600 56.464 -2.864 18219 7529 1 15 . 1 1 57 57 ASN CB C 48 38.641 38.641 37.303 1.337 18219 7530 1 15 . 1 1 57 57 ASN H H 48 8.228 8.228 9.008 -0.780 18219 7531 1 15 . 1 1 58 58 ASP N N 49 120.276 120.276 121.734 -1.458 18219 7532 1 15 . 1 1 58 58 ASP HA H 49 4.530 4.530 4.553 -0.022 18219 7533 1 15 . 1 1 58 58 ASP CA C 49 54.202 54.202 55.575 -1.373 18219 7534 1 15 . 1 1 58 58 ASP CB C 49 40.374 40.374 41.601 -1.227 18219 7535 1 15 . 1 1 58 58 ASP H H 49 8.192 8.192 8.552 -0.360 18219 7536 1 15 . 1 1 59 59 LYS N N 50 120.660 120.660 115.831 4.829 18219 7537 1 15 . 1 1 59 59 LYS HA H 50 4.200 4.200 4.425 -0.225 18219 7538 1 15 . 1 1 59 59 LYS C C 50 173.474 173.474 174.346 -0.872 18219 7539 1 15 . 1 1 59 59 LYS CA C 50 56.300 56.300 54.810 1.490 18219 7540 1 15 . 1 1 59 59 LYS CB C 50 32.034 32.034 35.228 -3.194 18219 7541 1 15 . 1 1 59 59 LYS H H 50 8.003 8.003 7.236 0.767 18219 7542 1 15 . 1 1 60 60 ARG N N 51 121.278 121.278 119.734 1.544 18219 7543 1 15 . 1 1 60 60 ARG HA H 51 4.200 4.200 4.022 0.178 18219 7544 1 15 . 1 1 60 60 ARG C C 51 173.303 173.303 175.108 -1.805 18219 7545 1 15 . 1 1 60 60 ARG CA C 51 56.283 56.283 57.533 -1.250 18219 7546 1 15 . 1 1 60 60 ARG CB C 51 30.238 30.238 30.343 -0.105 18219 7547 1 15 . 1 1 60 60 ARG H H 51 8.091 8.091 8.474 -0.383 18219 7548 1 15 . 1 1 61 61 ASP N N 52 121.185 121.185 122.134 -0.949 18219 7549 1 15 . 1 1 61 61 ASP HA H 52 4.615 4.615 4.636 -0.021 18219 7550 1 15 . 1 1 61 61 ASP C C 52 173.777 173.777 177.784 -4.007 18219 7551 1 15 . 1 1 61 61 ASP CA C 52 53.979 53.979 55.524 -1.545 18219 7552 1 15 . 1 1 61 61 ASP CB C 52 40.245 40.245 41.563 -1.318 18219 7553 1 15 . 1 1 61 61 ASP H H 52 8.261 8.261 8.552 -0.291 18219 7554 1 15 . 1 1 62 62 VAL N N 53 121.902 121.902 119.798 2.104 18219 7555 1 15 . 1 1 62 62 VAL HA H 53 3.950 3.950 4.150 -0.200 18219 7556 1 15 . 1 1 62 62 VAL C C 53 173.279 173.279 176.899 -3.620 18219 7557 1 15 . 1 1 62 62 VAL CA C 53 63.176 63.176 64.122 -0.946 18219 7558 1 15 . 1 1 62 62 VAL CB C 53 32.099 32.099 32.178 -0.079 18219 7559 1 15 . 1 1 62 62 VAL H H 53 7.997 7.997 8.026 -0.029 18219 7560 1 15 . 1 1 63 63 LYS N N 54 123.522 123.522 121.303 2.219 18219 7561 1 15 . 1 1 63 63 LYS HA H 54 4.260 4.260 4.168 0.092 18219 7562 1 15 . 1 1 63 63 LYS C C 54 174.481 174.481 178.665 -4.184 18219 7563 1 15 . 1 1 63 63 LYS CA C 54 56.347 56.347 59.387 -3.040 18219 7564 1 15 . 1 1 63 63 LYS CB C 54 32.099 32.099 31.711 0.388 18219 7565 1 15 . 1 1 63 63 LYS H H 54 8.054 8.054 8.301 -0.247 18219 7566 1 15 . 1 1 64 64 VAL N N 55 120.647 120.647 118.266 2.381 18219 7567 1 15 . 1 1 64 64 VAL HA H 55 3.947 3.947 3.808 0.139 18219 7568 1 15 . 1 1 64 64 VAL C C 55 174.955 174.955 177.708 -2.753 18219 7569 1 15 . 1 1 64 64 VAL CA C 55 64.600 64.600 65.191 -0.591 18219 7570 1 15 . 1 1 64 64 VAL CB C 55 31.877 31.877 30.967 0.910 18219 7571 1 15 . 1 1 64 64 VAL H H 55 8.225 8.225 8.056 0.169 18219 7572 1 15 . 1 1 65 65 SER N N 56 117.785 117.785 116.458 1.327 18219 7573 1 15 . 1 1 65 65 SER HA H 56 4.390 4.390 4.147 0.243 18219 7574 1 15 . 1 1 65 65 SER C C 56 172.300 172.300 176.509 -4.209 18219 7575 1 15 . 1 1 65 65 SER CA C 56 60.000 60.000 62.184 -2.184 18219 7576 1 15 . 1 1 65 65 SER CB C 56 62.879 62.879 63.005 -0.126 18219 7577 1 15 . 1 1 65 65 SER H H 56 8.260 8.260 7.703 0.557 18219 7578 1 15 . 1 1 66 66 LEU N N 57 123.318 123.318 122.547 0.771 18219 7579 1 15 . 1 1 66 66 LEU HA H 57 4.090 4.090 4.101 -0.011 18219 7580 1 15 . 1 1 66 66 LEU C C 57 175.932 175.932 178.574 -2.642 18219 7581 1 15 . 1 1 66 66 LEU CA C 57 57.502 57.502 58.589 -1.087 18219 7582 1 15 . 1 1 66 66 LEU CB C 57 41.721 41.721 42.222 -0.501 18219 7583 1 15 . 1 1 66 66 LEU H H 57 8.091 8.091 8.116 -0.025 18219 7584 1 15 . 1 1 67 67 PHE N N 58 118.020 118.020 117.397 0.623 18219 7585 1 15 . 1 1 67 67 PHE HA H 58 4.330 4.330 4.104 0.226 18219 7586 1 15 . 1 1 67 67 PHE C C 58 174.912 174.912 178.322 -3.410 18219 7587 1 15 . 1 1 67 67 PHE CA C 58 60.600 60.600 62.312 -1.712 18219 7588 1 15 . 1 1 67 67 PHE CB C 58 38.552 38.552 38.226 0.326 18219 7589 1 15 . 1 1 67 67 PHE H H 58 8.066 8.066 8.814 -0.748 18219 7590 1 15 . 1 1 68 68 THR N N 59 115.324 115.324 116.136 -0.812 18219 7591 1 15 . 1 1 68 68 THR HA H 59 4.310 4.310 3.987 0.323 18219 7592 1 15 . 1 1 68 68 THR C C 59 173.380 173.380 176.230 -2.850 18219 7593 1 15 . 1 1 68 68 THR CA C 59 66.313 66.313 67.606 -1.292 18219 7594 1 15 . 1 1 68 68 THR CB C 59 67.700 67.700 68.826 -1.126 18219 7595 1 15 . 1 1 68 68 THR H H 59 8.287 8.287 8.345 -0.058 18219 7596 1 15 . 1 1 69 69 ALA N N 60 123.621 123.621 124.574 -0.953 18219 7597 1 15 . 1 1 69 69 ALA HA H 60 4.280 4.280 4.093 0.187 18219 7598 1 15 . 1 1 69 69 ALA C C 60 176.978 176.978 179.817 -2.839 18219 7599 1 15 . 1 1 69 69 ALA CA C 60 55.100 55.100 55.190 -0.090 18219 7600 1 15 . 1 1 69 69 ALA CB C 60 17.728 17.728 18.230 -0.502 18219 7601 1 15 . 1 1 69 69 ALA H H 60 7.983 7.983 8.074 -0.091 18219 7602 1 15 . 1 1 70 70 PHE N N 61 118.520 118.520 118.367 0.153 18219 7603 1 15 . 1 1 70 70 PHE HA H 61 4.260 4.260 4.194 0.066 18219 7604 1 15 . 1 1 70 70 PHE C C 61 175.369 175.369 177.517 -2.148 18219 7605 1 15 . 1 1 70 70 PHE CA C 61 60.179 60.179 61.456 -1.278 18219 7606 1 15 . 1 1 70 70 PHE CB C 61 38.706 38.706 39.124 -0.418 18219 7607 1 15 . 1 1 70 70 PHE H H 61 8.007 8.007 8.666 -0.659 18219 7608 1 15 . 1 1 71 71 PHE N N 62 122.314 122.314 120.268 2.046 18219 7609 1 15 . 1 1 71 71 PHE HA H 62 4.000 4.000 4.200 -0.200 18219 7610 1 15 . 1 1 71 71 PHE C C 62 174.697 174.697 177.535 -2.838 18219 7611 1 15 . 1 1 71 71 PHE CA C 62 60.517 60.517 62.689 -2.172 18219 7612 1 15 . 1 1 71 71 PHE CB C 62 38.770 38.770 39.388 -0.618 18219 7613 1 15 . 1 1 71 71 PHE H H 62 8.546 8.546 8.347 0.199 18219 7614 1 15 . 1 1 72 72 LEU N N 63 119.399 119.399 120.277 -0.878 18219 7615 1 15 . 1 1 72 72 LEU HA H 63 3.870 3.870 3.993 -0.123 18219 7616 1 15 . 1 1 72 72 LEU C C 63 175.774 175.774 178.440 -2.666 18219 7617 1 15 . 1 1 72 72 LEU CA C 63 56.925 56.925 58.580 -1.655 18219 7618 1 15 . 1 1 72 72 LEU CB C 63 41.207 41.207 41.896 -0.689 18219 7619 1 15 . 1 1 72 72 LEU H H 63 8.396 8.396 8.832 -0.436 18219 7620 1 15 . 1 1 73 73 ALA N N 64 120.221 120.221 119.763 0.458 18219 7621 1 15 . 1 1 73 73 ALA HA H 64 3.960 3.960 3.963 -0.003 18219 7622 1 15 . 1 1 73 73 ALA C C 64 177.267 177.267 179.468 -2.201 18219 7623 1 15 . 1 1 73 73 ALA CA C 64 54.600 54.600 55.395 -0.795 18219 7624 1 15 . 1 1 73 73 ALA CB C 64 17.784 17.784 18.100 -0.316 18219 7625 1 15 . 1 1 73 73 ALA H H 64 8.025 8.025 8.116 -0.091 18219 7626 1 15 . 1 1 74 74 THR N N 65 113.648 113.648 111.599 2.049 18219 7627 1 15 . 1 1 74 74 THR HA H 65 3.980 3.980 4.140 -0.160 18219 7628 1 15 . 1 1 74 74 THR CA C 65 66.291 66.291 64.725 1.566 18219 7629 1 15 . 1 1 74 74 THR CB C 65 67.914 67.914 68.602 -0.688 18219 7630 1 15 . 1 1 74 74 THR H H 65 7.717 7.717 7.668 0.049 18219 7631 1 15 . 1 1 75 75 ILE N N 66 120.291 120.291 120.858 -0.567 18219 7632 1 15 . 1 1 75 75 ILE HA H 66 3.740 3.740 3.980 -0.240 18219 7633 1 15 . 1 1 75 75 ILE C C 66 174.951 174.951 177.384 -2.433 18219 7634 1 15 . 1 1 75 75 ILE CA C 66 64.880 64.880 63.420 1.460 18219 7635 1 15 . 1 1 75 75 ILE CB C 66 37.166 37.166 38.154 -0.988 18219 7636 1 15 . 1 1 75 75 ILE H H 66 7.738 7.738 8.126 -0.388 18219 7637 1 15 . 1 1 76 76 MET N N 67 117.618 117.618 117.660 -0.042 18219 7638 1 15 . 1 1 76 76 MET HA H 67 4.220 4.220 4.434 -0.214 18219 7639 1 15 . 1 1 76 76 MET C C 67 175.142 175.142 177.023 -1.881 18219 7640 1 15 . 1 1 76 76 MET CA C 67 56.723 56.723 57.126 -0.403 18219 7641 1 15 . 1 1 76 76 MET CB C 67 31.951 31.951 33.463 -1.512 18219 7642 1 15 . 1 1 76 76 MET H H 67 7.823 7.823 8.564 -0.741 18219 7643 1 15 . 1 1 77 77 GLY N N 68 107.110 107.110 104.440 2.670 18219 7644 1 15 . 1 1 77 77 GLY C C 68 172.260 172.260 174.885 -2.625 18219 7645 1 15 . 1 1 77 77 GLY CA C 68 45.800 45.800 45.127 0.673 18219 7646 1 15 . 1 1 77 77 GLY H H 68 7.937 7.937 8.109 -0.172 18219 7647 1 15 . 1 1 78 78 VAL N N 69 120.431 120.431 118.271 2.160 18219 7648 1 15 . 1 1 78 78 VAL HA H 69 4.220 4.220 3.644 0.576 18219 7649 1 15 . 1 1 78 78 VAL CA C 69 63.900 63.900 65.058 -1.158 18219 7650 1 15 . 1 1 78 78 VAL CB C 69 31.506 31.506 31.929 -0.423 18219 7651 1 15 . 1 1 78 78 VAL H H 69 7.697 7.697 7.984 -0.287 18219 7652 1 15 . 1 1 79 79 ARG N N 70 121.420 121.420 118.298 3.122 18219 7653 1 15 . 1 1 79 79 ARG HA H 70 3.810 3.810 4.107 -0.297 18219 7654 1 15 . 1 1 79 79 ARG CA C 70 56.400 56.400 56.907 -0.507 18219 7655 1 15 . 1 1 79 79 ARG CB C 70 30.097 30.097 28.951 1.146 18219 7656 1 15 . 1 1 79 79 ARG H H 70 7.889 7.889 8.178 -0.289 18219 7657 1 15 . 1 1 80 80 PHE N N 71 119.949 119.949 125.771 -5.822 18219 7658 1 15 . 1 1 80 80 PHE HA H 71 4.510 4.510 4.691 -0.181 18219 7659 1 15 . 1 1 80 80 PHE CA C 71 58.600 58.600 58.953 -0.353 18219 7660 1 15 . 1 1 80 80 PHE CB C 71 39.145 39.145 40.998 -1.853 18219 7661 1 15 . 1 1 80 80 PHE H H 71 8.101 8.101 8.205 -0.104 18219 7662 1 15 . 1 1 81 81 LYS N N 72 122.193 122.193 119.732 2.461 18219 7663 1 15 . 1 1 81 81 LYS CA C 72 56.800 56.800 55.351 1.449 18219 7664 1 15 . 1 1 81 81 LYS CB C 72 32.322 32.322 33.878 -1.556 18219 7665 1 15 . 1 1 81 81 LYS H H 72 8.090 8.090 8.284 -0.194 18219 7666 1 15 . 1 1 82 82 ARG N N 73 119.650 119.650 121.603 -1.953 18219 7667 1 15 . 1 1 82 82 ARG CA C 73 56.089 56.089 56.228 -0.139 18219 7668 1 15 . 1 1 82 82 ARG CB C 73 30.171 30.171 29.445 0.726 18219 7669 1 15 . 1 1 82 82 ARG H H 73 8.052 8.052 8.565 -0.513 18219 7670 1 15 . 1 1 83 83 SER N N 74 115.734 115.734 118.225 -2.491 18219 7671 1 15 . 1 1 83 83 SER CA C 74 58.355 58.355 57.236 1.119 18219 7672 1 15 . 1 1 83 83 SER CB C 74 63.404 63.404 64.469 -1.065 18219 7673 1 15 . 1 1 83 83 SER H H 74 7.912 7.912 8.114 -0.202 18219 7674 1 15 . 1 1 84 84 LYS N N 75 122.370 122.370 122.663 -0.293 18219 7675 1 15 . 1 1 84 84 LYS CA C 75 56.135 56.135 55.426 0.709 18219 7676 1 15 . 1 1 84 84 LYS CB C 75 32.175 32.175 31.417 0.758 18219 7677 1 15 . 1 1 84 84 LYS H H 75 8.067 8.067 8.620 -0.553 18219 7678 1 15 . 1 1 86 86 ILE N N 77 119.592 119.592 117.118 2.474 18219 7679 1 15 . 1 1 86 86 ILE HA H 77 3.810 3.810 4.078 -0.268 18219 7680 1 15 . 1 1 86 86 ILE CA C 77 64.900 64.900 62.241 2.659 18219 7681 1 15 . 1 1 86 86 ILE CB C 77 39.145 39.145 38.862 0.283 18219 7682 1 15 . 1 1 86 86 ILE H H 77 7.837 7.837 7.551 0.286 18219 7683 1 15 . 1 1 87 87 MET N N 78 121.645 121.645 118.105 3.540 18219 7684 1 15 . 1 1 87 87 MET CA C 78 52.982 52.982 58.989 -6.007 18219 7685 1 15 . 1 1 87 87 MET CB C 78 32.173 32.173 31.527 0.646 18219 7686 1 15 . 1 1 87 87 MET H H 78 7.950 7.950 8.348 -0.398 18219 7687 1 15 . 1 1 88 88 PRO HA H 79 4.140 4.140 4.401 -0.261 18219 7688 1 15 . 1 1 88 88 PRO C C 79 173.921 173.921 177.140 -3.219 18219 7689 1 15 . 1 1 88 88 PRO CA C 79 62.800 62.800 63.755 -0.955 18219 7690 1 15 . 1 1 88 88 PRO CB C 79 31.136 31.136 31.909 -0.773 18219 7691 1 15 . 1 1 89 89 ALA N N 80 124.431 124.431 118.942 5.489 18219 7692 1 15 . 1 1 89 89 ALA HA H 80 4.400 4.400 4.048 0.352 18219 7693 1 15 . 1 1 89 89 ALA C C 80 176.234 176.234 179.580 -3.346 18219 7694 1 15 . 1 1 89 89 ALA CA C 80 53.300 53.300 54.348 -1.048 18219 7695 1 15 . 1 1 89 89 ALA CB C 80 18.498 18.498 17.257 1.241 18219 7696 1 15 . 1 1 89 89 ALA H H 80 8.320 8.320 8.520 -0.200 18219 7697 1 15 . 1 1 90 90 GLY N N 81 106.834 106.834 107.331 -0.497 18219 7698 1 15 . 1 1 90 90 GLY C C 81 172.398 172.398 175.258 -2.860 18219 7699 1 15 . 1 1 90 90 GLY CA C 81 45.600 45.600 46.994 -1.394 18219 7700 1 15 . 1 1 90 90 GLY H H 81 8.458 8.458 8.116 0.342 18219 7701 1 15 . 1 1 91 91 LEU N N 82 121.043 121.043 120.497 0.546 18219 7702 1 15 . 1 1 91 91 LEU HA H 82 4.200 4.200 4.060 0.140 18219 7703 1 15 . 1 1 91 91 LEU C C 82 174.783 174.783 178.206 -3.423 18219 7704 1 15 . 1 1 91 91 LEU CA C 82 56.300 56.300 58.375 -2.075 18219 7705 1 15 . 1 1 91 91 LEU CB C 82 42.106 42.106 42.084 0.022 18219 7706 1 15 . 1 1 91 91 LEU H H 82 7.687 7.687 7.788 -0.101 18219 7707 1 15 . 1 1 92 92 VAL N N 83 114.737 114.737 116.888 -2.151 18219 7708 1 15 . 1 1 92 92 VAL HA H 83 3.980 3.980 3.649 0.331 18219 7709 1 15 . 1 1 92 92 VAL C C 83 173.634 173.634 177.677 -4.043 18219 7710 1 15 . 1 1 92 92 VAL CA C 83 62.400 62.400 64.720 -2.320 18219 7711 1 15 . 1 1 92 92 VAL CB C 83 31.585 31.585 30.245 1.340 18219 7712 1 15 . 1 1 92 92 VAL H H 83 7.602 7.602 7.709 -0.107 18219 7713 1 15 . 1 1 93 93 ALA N N 84 124.320 124.320 121.580 2.740 18219 7714 1 15 . 1 1 93 93 ALA HA H 84 4.150 4.150 4.069 0.081 18219 7715 1 15 . 1 1 93 93 ALA C C 84 175.746 175.746 179.769 -4.023 18219 7716 1 15 . 1 1 93 93 ALA CA C 84 53.300 53.300 55.381 -2.081 18219 7717 1 15 . 1 1 93 93 ALA CB C 84 18.241 18.241 17.905 0.336 18219 7718 1 15 . 1 1 93 93 ALA H H 84 7.891 7.891 8.693 -0.802 18219 7719 1 15 . 1 1 94 94 GLY N N 85 106.807 106.807 107.576 -0.769 18219 7720 1 15 . 1 1 94 94 GLY C C 85 171.752 171.752 175.967 -4.215 18219 7721 1 15 . 1 1 94 94 GLY CA C 85 45.249 45.249 46.630 -1.381 18219 7722 1 15 . 1 1 94 94 GLY H H 85 8.204 8.204 7.896 0.308 18219 7723 1 15 . 1 1 95 95 LEU N N 86 121.266 121.266 121.793 -0.527 18219 7724 1 15 . 1 1 95 95 LEU HA H 86 4.380 4.380 4.167 0.213 18219 7725 1 15 . 1 1 95 95 LEU C C 86 173.702 173.702 179.431 -5.729 18219 7726 1 15 . 1 1 95 95 LEU CA C 86 55.000 55.000 57.474 -2.474 18219 7727 1 15 . 1 1 95 95 LEU CB C 86 42.298 42.298 41.273 1.024 18219 7728 1 15 . 1 1 95 95 LEU H H 86 7.718 7.718 7.958 -0.240 18219 7729 1 15 . 1 1 96 96 SER N N 87 115.658 115.658 116.482 -0.824 18219 7730 1 15 . 1 1 96 96 SER HA H 87 4.370 4.370 4.160 0.210 18219 7731 1 15 . 1 1 96 96 SER C C 87 172.479 172.479 176.595 -4.116 18219 7732 1 15 . 1 1 96 96 SER CA C 87 57.200 57.200 61.592 -4.392 18219 7733 1 15 . 1 1 96 96 SER CB C 87 64.174 64.174 63.192 0.982 18219 7734 1 15 . 1 1 96 96 SER H H 87 7.659 7.659 8.157 -0.498 18219 7735 1 15 . 1 1 97 97 LEU N N 88 123.720 123.720 122.342 1.378 18219 7736 1 15 . 1 1 97 97 LEU HA H 88 4.600 4.600 4.078 0.522 18219 7737 1 15 . 1 1 97 97 LEU C C 88 175.932 175.932 178.994 -3.062 18219 7738 1 15 . 1 1 97 97 LEU CA C 88 57.600 57.600 57.675 -0.076 18219 7739 1 15 . 1 1 97 97 LEU CB C 88 41.400 41.400 41.144 0.256 18219 7740 1 15 . 1 1 97 97 LEU H H 88 8.733 8.733 8.175 0.558 18219 7741 1 15 . 1 1 98 98 MET N N 89 116.684 116.684 120.668 -3.984 18219 7742 1 15 . 1 1 98 98 MET HA H 89 4.280 4.280 4.115 0.165 18219 7743 1 15 . 1 1 98 98 MET C C 89 175.789 175.789 177.747 -1.958 18219 7744 1 15 . 1 1 98 98 MET CA C 89 56.915 56.915 59.258 -2.343 18219 7745 1 15 . 1 1 98 98 MET CB C 89 31.007 31.007 32.669 -1.662 18219 7746 1 15 . 1 1 98 98 MET H H 89 8.342 8.342 8.348 -0.006 18219 7747 1 15 . 1 1 99 99 MET N N 90 119.182 119.182 117.988 1.194 18219 7748 1 15 . 1 1 99 99 MET HA H 90 4.110 4.110 4.296 -0.186 18219 7749 1 15 . 1 1 99 99 MET C C 90 175.588 175.588 178.739 -3.151 18219 7750 1 15 . 1 1 99 99 MET CA C 90 57.951 57.951 58.506 -0.555 18219 7751 1 15 . 1 1 99 99 MET CB C 90 32.226 32.226 32.016 0.210 18219 7752 1 15 . 1 1 99 99 MET H H 90 7.720 7.720 8.131 -0.411 18219 7753 1 15 . 1 1 100 100 ILE N N 91 119.077 119.077 120.431 -1.354 18219 7754 1 15 . 1 1 100 100 ILE HA H 91 4.110 4.110 3.841 0.269 18219 7755 1 15 . 1 1 100 100 ILE C C 91 174.634 174.634 177.650 -3.016 18219 7756 1 15 . 1 1 100 100 ILE CA C 91 64.100 64.100 64.783 -0.683 18219 7757 1 15 . 1 1 100 100 ILE CB C 91 37.143 37.143 38.153 -1.010 18219 7758 1 15 . 1 1 100 100 ILE H H 91 7.662 7.662 8.219 -0.557 18219 7759 1 15 . 1 1 101 101 LEU N N 92 119.646 119.646 121.050 -1.404 18219 7760 1 15 . 1 1 101 101 LEU HA H 92 4.530 4.530 4.011 0.519 18219 7761 1 15 . 1 1 101 101 LEU C C 92 175.430 175.430 178.595 -3.165 18219 7762 1 15 . 1 1 101 101 LEU CA C 92 57.800 57.800 58.011 -0.212 18219 7763 1 15 . 1 1 101 101 LEU CB C 92 40.758 40.758 41.772 -1.014 18219 7764 1 15 . 1 1 101 101 LEU H H 92 8.142 8.142 7.786 0.356 18219 7765 1 15 . 1 1 102 102 ARG N N 93 116.394 116.394 118.844 -2.450 18219 7766 1 15 . 1 1 102 102 ARG HA H 93 4.140 4.140 4.209 -0.069 18219 7767 1 15 . 1 1 102 102 ARG C C 93 175.961 175.961 178.589 -2.628 18219 7768 1 15 . 1 1 102 102 ARG CA C 93 59.100 59.100 58.585 0.515 18219 7769 1 15 . 1 1 102 102 ARG CB C 93 29.404 29.404 30.346 -0.942 18219 7770 1 15 . 1 1 102 102 ARG H H 93 7.893 7.893 8.291 -0.398 18219 7771 1 15 . 1 1 103 103 LEU N N 94 119.114 119.114 120.944 -1.830 18219 7772 1 15 . 1 1 103 103 LEU HA H 94 4.110 4.110 4.153 -0.043 18219 7773 1 15 . 1 1 103 103 LEU C C 94 175.889 175.889 178.049 -2.160 18219 7774 1 15 . 1 1 103 103 LEU CA C 94 57.300 57.300 57.528 -0.228 18219 7775 1 15 . 1 1 103 103 LEU CB C 94 41.296 41.296 41.911 -0.615 18219 7776 1 15 . 1 1 103 103 LEU H H 94 7.622 7.622 7.933 -0.311 18219 7777 1 15 . 1 1 104 104 VAL N N 95 117.704 117.704 119.275 -1.571 18219 7778 1 15 . 1 1 104 104 VAL HA H 95 3.530 3.530 3.744 -0.214 18219 7779 1 15 . 1 1 104 104 VAL C C 95 175.042 175.042 177.413 -2.371 18219 7780 1 15 . 1 1 104 104 VAL CA C 95 66.419 66.419 65.238 1.181 18219 7781 1 15 . 1 1 104 104 VAL CB C 95 31.357 31.357 31.915 -0.558 18219 7782 1 15 . 1 1 104 104 VAL H H 95 8.026 8.026 7.916 0.110 18219 7783 1 15 . 1 1 105 105 LEU N N 96 117.185 117.185 118.364 -1.179 18219 7784 1 15 . 1 1 105 105 LEU HA H 96 3.980 3.980 4.127 -0.147 18219 7785 1 15 . 1 1 105 105 LEU C C 96 176.579 176.579 177.736 -1.157 18219 7786 1 15 . 1 1 105 105 LEU CA C 96 56.800 56.800 56.620 0.180 18219 7787 1 15 . 1 1 105 105 LEU CB C 96 40.951 40.951 42.402 -1.451 18219 7788 1 15 . 1 1 105 105 LEU H H 96 7.893 7.893 7.498 0.395 18219 7789 1 15 . 1 1 106 106 LEU N N 97 118.471 118.471 118.624 -0.153 18219 7790 1 15 . 1 1 106 106 LEU HA H 97 4.180 4.180 3.900 0.280 18219 7791 1 15 . 1 1 106 106 LEU C C 97 175.802 175.802 176.070 -0.268 18219 7792 1 15 . 1 1 106 106 LEU CA C 97 56.300 56.300 55.038 1.262 18219 7793 1 15 . 1 1 106 106 LEU CB C 97 41.592 41.592 40.699 0.893 18219 7794 1 15 . 1 1 106 106 LEU H H 97 7.545 7.545 7.730 -0.185 18219 7795 1 15 . 1 1 107 107 LEU N N 98 118.162 118.162 114.159 4.003 18219 7796 1 15 . 1 1 107 107 LEU HA H 98 4.230 4.230 3.840 0.390 18219 7797 1 15 . 1 1 107 107 LEU C C 98 174.174 174.174 177.502 -3.328 18219 7798 1 15 . 1 1 107 107 LEU CA C 98 56.283 56.283 55.777 0.506 18219 7799 1 15 . 1 1 107 107 LEU CB C 98 42.362 42.362 39.816 2.546 18219 7800 1 15 . 1 1 107 107 LEU H H 98 7.688 7.688 8.253 -0.565 18219 7801 1 16 . 1 1 11 11 ASP N N 2 120.536 120.536 122.689 -2.153 18219 7802 1 16 . 1 1 11 11 ASP CA C 2 55.918 55.918 53.531 2.387 18219 7803 1 16 . 1 1 11 11 ASP CB C 2 37.959 37.959 43.739 -5.780 18219 7804 1 16 . 1 1 11 11 ASP H H 2 7.863 7.863 8.183 -0.320 18219 7805 1 16 . 1 1 12 12 LEU N N 3 121.414 121.414 122.415 -1.001 18219 7806 1 16 . 1 1 12 12 LEU C C 3 176.162 176.162 178.875 -2.713 18219 7807 1 16 . 1 1 12 12 LEU CA C 3 57.600 57.600 56.830 0.770 18219 7808 1 16 . 1 1 12 12 LEU CB C 3 41.657 41.657 42.184 -0.527 18219 7809 1 16 . 1 1 12 12 LEU H H 3 8.285 8.285 8.554 -0.269 18219 7810 1 16 . 1 1 13 13 ILE N N 4 118.854 118.854 117.402 1.452 18219 7811 1 16 . 1 1 13 13 ILE HA H 4 3.740 3.740 3.835 -0.095 18219 7812 1 16 . 1 1 13 13 ILE C C 4 175.228 175.228 177.977 -2.749 18219 7813 1 16 . 1 1 13 13 ILE CA C 4 64.500 64.500 63.116 1.384 18219 7814 1 16 . 1 1 13 13 ILE CB C 4 37.102 37.102 38.265 -1.163 18219 7815 1 16 . 1 1 13 13 ILE H H 4 8.031 8.031 7.844 0.187 18219 7816 1 16 . 1 1 14 14 GLY N N 5 107.478 107.478 106.398 1.080 18219 7817 1 16 . 1 1 14 14 GLY C C 5 174.424 174.424 175.958 -1.534 18219 7818 1 16 . 1 1 14 14 GLY CA C 5 47.059 47.059 46.685 0.373 18219 7819 1 16 . 1 1 14 14 GLY H H 5 8.148 8.148 8.308 -0.160 18219 7820 1 16 . 1 1 15 15 PHE N N 6 122.774 122.774 123.696 -0.922 18219 7821 1 16 . 1 1 15 15 PHE HA H 6 4.480 4.480 4.274 0.206 18219 7822 1 16 . 1 1 15 15 PHE C C 6 175.113 175.113 177.083 -1.970 18219 7823 1 16 . 1 1 15 15 PHE CA C 6 60.017 60.017 61.903 -1.886 18219 7824 1 16 . 1 1 15 15 PHE CB C 6 38.774 38.774 38.549 0.225 18219 7825 1 16 . 1 1 15 15 PHE H H 6 8.194 8.194 8.481 -0.287 18219 7826 1 16 . 1 1 16 16 GLY N N 7 107.938 107.938 106.741 1.197 18219 7827 1 16 . 1 1 16 16 GLY C C 7 171.838 171.838 175.634 -3.796 18219 7828 1 16 . 1 1 16 16 GLY CA C 7 47.100 47.100 47.490 -0.390 18219 7829 1 16 . 1 1 16 16 GLY H H 7 8.697 8.697 8.653 0.044 18219 7830 1 16 . 1 1 17 17 TYR N N 8 121.785 121.785 123.570 -1.785 18219 7831 1 16 . 1 1 17 17 TYR HA H 8 4.150 4.150 4.087 0.063 18219 7832 1 16 . 1 1 17 17 TYR C C 8 174.180 174.180 177.663 -3.483 18219 7833 1 16 . 1 1 17 17 TYR CA C 8 61.300 61.300 61.363 -0.063 18219 7834 1 16 . 1 1 17 17 TYR CB C 8 37.959 37.959 38.386 -0.427 18219 7835 1 16 . 1 1 17 17 TYR H H 8 8.710 8.710 8.235 0.475 18219 7836 1 16 . 1 1 18 18 ALA N N 9 120.233 120.233 120.217 0.016 18219 7837 1 16 . 1 1 18 18 ALA HA H 9 3.950 3.950 3.977 -0.027 18219 7838 1 16 . 1 1 18 18 ALA C C 9 178.059 178.059 178.928 -0.869 18219 7839 1 16 . 1 1 18 18 ALA CA C 9 54.872 54.872 54.559 0.313 18219 7840 1 16 . 1 1 18 18 ALA CB C 9 17.562 17.562 18.126 -0.564 18219 7841 1 16 . 1 1 18 18 ALA H H 9 7.843 7.843 7.960 -0.117 18219 7842 1 16 . 1 1 19 19 ALA N N 10 121.797 121.797 122.953 -1.156 18219 7843 1 16 . 1 1 19 19 ALA HA H 10 3.950 3.950 3.946 0.004 18219 7844 1 16 . 1 1 19 19 ALA C C 10 176.191 176.191 179.467 -3.276 18219 7845 1 16 . 1 1 19 19 ALA CA C 10 54.600 54.600 54.966 -0.366 18219 7846 1 16 . 1 1 19 19 ALA CB C 10 17.562 17.562 18.296 -0.734 18219 7847 1 16 . 1 1 19 19 ALA H H 10 8.212 8.212 8.173 0.039 18219 7848 1 16 . 1 1 20 20 LEU N N 11 119.442 119.442 117.310 2.132 18219 7849 1 16 . 1 1 20 20 LEU HA H 11 3.937 3.937 4.022 -0.085 18219 7850 1 16 . 1 1 20 20 LEU C C 11 176.694 176.694 178.886 -2.192 18219 7851 1 16 . 1 1 20 20 LEU CA C 11 57.800 57.800 57.991 -0.191 18219 7852 1 16 . 1 1 20 20 LEU CB C 11 41.222 41.222 41.053 0.169 18219 7853 1 16 . 1 1 20 20 LEU H H 11 8.065 8.065 8.373 -0.308 18219 7854 1 16 . 1 1 21 21 VAL N N 12 118.323 118.323 120.292 -1.969 18219 7855 1 16 . 1 1 21 21 VAL HA H 12 3.640 3.640 3.531 0.109 18219 7856 1 16 . 1 1 21 21 VAL C C 12 176.536 176.536 178.554 -2.018 18219 7857 1 16 . 1 1 21 21 VAL CA C 12 65.400 65.400 66.957 -1.557 18219 7858 1 16 . 1 1 21 21 VAL CB C 12 31.135 31.135 30.807 0.328 18219 7859 1 16 . 1 1 21 21 VAL H H 12 8.051 8.051 8.392 -0.341 18219 7860 1 16 . 1 1 22 22 THR N N 13 118.298 118.298 116.575 1.723 18219 7861 1 16 . 1 1 22 22 THR HA H 13 4.660 4.660 4.060 0.600 18219 7862 1 16 . 1 1 22 22 THR C C 13 173.734 173.734 176.766 -3.032 18219 7863 1 16 . 1 1 22 22 THR CA C 13 66.300 66.300 66.395 -0.095 18219 7864 1 16 . 1 1 22 22 THR CB C 13 67.775 67.775 68.385 -0.609 18219 7865 1 16 . 1 1 22 22 THR H H 13 7.944 7.944 8.204 -0.260 18219 7866 1 16 . 1 1 23 23 PHE N N 14 121.328 121.328 122.718 -1.390 18219 7867 1 16 . 1 1 23 23 PHE HA H 14 4.340 4.340 4.275 0.065 18219 7868 1 16 . 1 1 23 23 PHE C C 14 174.783 174.783 177.301 -2.518 18219 7869 1 16 . 1 1 23 23 PHE CA C 14 60.500 60.500 61.525 -1.025 18219 7870 1 16 . 1 1 23 23 PHE CB C 14 38.626 38.626 38.856 -0.230 18219 7871 1 16 . 1 1 23 23 PHE H H 14 8.567 8.567 8.476 0.092 18219 7872 1 16 . 1 1 24 24 GLY N N 15 106.871 106.871 105.603 1.268 18219 7873 1 16 . 1 1 24 24 GLY C C 15 172.858 172.858 175.882 -3.024 18219 7874 1 16 . 1 1 24 24 GLY CA C 15 46.900 46.900 47.243 -0.343 18219 7875 1 16 . 1 1 24 24 GLY H H 15 8.475 8.475 8.913 -0.438 18219 7876 1 16 . 1 1 25 25 SER N N 16 116.214 116.214 117.048 -0.834 18219 7877 1 16 . 1 1 25 25 SER HA H 16 4.280 4.280 4.276 0.004 18219 7878 1 16 . 1 1 25 25 SER CA C 16 60.300 60.300 61.917 -1.617 18219 7879 1 16 . 1 1 25 25 SER CB C 16 62.879 62.879 63.246 -0.367 18219 7880 1 16 . 1 1 25 25 SER H H 16 7.963 7.963 7.905 0.058 18219 7881 1 16 . 1 1 26 26 ILE N N 17 121.024 121.024 122.540 -1.516 18219 7882 1 16 . 1 1 26 26 ILE HA H 17 3.946 3.946 4.106 -0.160 18219 7883 1 16 . 1 1 26 26 ILE C C 17 173.935 173.935 177.547 -3.612 18219 7884 1 16 . 1 1 26 26 ILE CA C 17 63.100 63.100 63.577 -0.477 18219 7885 1 16 . 1 1 26 26 ILE CB C 17 38.107 38.107 37.138 0.969 18219 7886 1 16 . 1 1 26 26 ILE H H 17 7.676 7.676 8.166 -0.490 18219 7887 1 16 . 1 1 27 27 PHE N N 18 117.142 117.142 118.622 -1.480 18219 7888 1 16 . 1 1 27 27 PHE HA H 18 4.430 4.430 4.080 0.350 18219 7889 1 16 . 1 1 27 27 PHE C C 18 173.504 173.504 177.445 -3.941 18219 7890 1 16 . 1 1 27 27 PHE CA C 18 58.500 58.500 60.315 -1.815 18219 7891 1 16 . 1 1 27 27 PHE CB C 18 38.774 38.774 39.130 -0.356 18219 7892 1 16 . 1 1 27 27 PHE H H 18 7.703 7.703 8.040 -0.337 18219 7893 1 16 . 1 1 28 28 GLY N N 19 107.303 107.303 106.403 0.900 18219 7894 1 16 . 1 1 28 28 GLY C C 19 171.593 171.593 174.317 -2.724 18219 7895 1 16 . 1 1 28 28 GLY CA C 19 45.600 45.600 45.395 0.205 18219 7896 1 16 . 1 1 28 28 GLY H H 19 7.722 7.722 7.669 0.053 18219 7897 1 16 . 1 1 29 29 TYR N N 20 119.862 119.862 120.372 -0.510 18219 7898 1 16 . 1 1 29 29 TYR HA H 20 4.392 4.392 4.141 0.251 18219 7899 1 16 . 1 1 29 29 TYR C C 20 173.174 173.174 175.364 -2.190 18219 7900 1 16 . 1 1 29 29 TYR CA C 20 58.500 58.500 58.172 0.327 18219 7901 1 16 . 1 1 29 29 TYR CB C 20 38.404 38.404 36.943 1.461 18219 7902 1 16 . 1 1 29 29 TYR H H 20 7.880 7.880 8.144 -0.264 18219 7903 1 16 . 1 1 30 30 LYS N N 21 122.335 122.335 125.814 -3.479 18219 7904 1 16 . 1 1 30 30 LYS HA H 21 4.390 4.390 4.137 0.253 18219 7905 1 16 . 1 1 30 30 LYS C C 21 173.547 173.547 176.334 -2.787 18219 7906 1 16 . 1 1 30 30 LYS CA C 21 55.800 55.800 57.573 -1.773 18219 7907 1 16 . 1 1 30 30 LYS CB C 21 32.396 32.396 32.749 -0.353 18219 7908 1 16 . 1 1 30 30 LYS H H 21 7.934 7.934 8.442 -0.508 18219 7909 1 16 . 1 1 31 31 ARG N N 22 120.612 120.612 124.312 -3.700 18219 7910 1 16 . 1 1 31 31 ARG C C 22 173.547 173.547 175.968 -2.421 18219 7911 1 16 . 1 1 31 31 ARG CA C 22 55.834 55.834 55.599 0.235 18219 7912 1 16 . 1 1 31 31 ARG CB C 22 30.101 30.101 31.065 -0.964 18219 7913 1 16 . 1 1 31 31 ARG H H 22 7.905 7.905 8.564 -0.659 18219 7914 1 16 . 1 1 32 32 ARG N N 23 121.748 121.748 121.548 0.200 18219 7915 1 16 . 1 1 32 32 ARG HA H 23 4.310 4.310 4.498 -0.188 18219 7916 1 16 . 1 1 32 32 ARG C C 23 173.863 173.863 176.716 -2.853 18219 7917 1 16 . 1 1 32 32 ARG CA C 23 55.800 55.800 57.986 -2.187 18219 7918 1 16 . 1 1 32 32 ARG CB C 23 30.245 30.245 30.874 -0.629 18219 7919 1 16 . 1 1 32 32 ARG H H 23 8.175 8.175 8.795 -0.620 18219 7920 1 16 . 1 1 33 33 GLY N N 24 109.528 109.528 105.507 4.021 18219 7921 1 16 . 1 1 33 33 GLY C C 24 171.752 171.752 173.252 -1.500 18219 7922 1 16 . 1 1 33 33 GLY CA C 24 44.900 44.900 44.582 0.318 18219 7923 1 16 . 1 1 33 33 GLY H H 24 8.264 8.264 7.671 0.593 18219 7924 1 16 . 1 1 34 34 GLY N N 25 108.563 108.563 108.562 0.001 18219 7925 1 16 . 1 1 34 34 GLY C C 25 171.701 171.701 174.245 -2.544 18219 7926 1 16 . 1 1 34 34 GLY CA C 25 44.600 44.600 44.798 -0.198 18219 7927 1 16 . 1 1 34 34 GLY H H 25 8.208 8.208 7.979 0.229 18219 7928 1 16 . 1 1 35 35 VAL N N 26 121.164 121.164 119.356 1.808 18219 7929 1 16 . 1 1 35 35 VAL HA H 26 4.010 4.010 4.018 -0.008 18219 7930 1 16 . 1 1 35 35 VAL C C 26 175.888 175.888 175.329 0.559 18219 7931 1 16 . 1 1 35 35 VAL CA C 26 63.900 63.900 63.817 0.083 18219 7932 1 16 . 1 1 35 35 VAL CB C 26 30.690 30.690 31.599 -0.909 18219 7933 1 16 . 1 1 35 35 VAL H H 26 8.485 8.485 8.120 0.365 18219 7934 1 16 . 1 1 36 36 PRO C C 27 177.660 177.660 175.929 1.731 18219 7935 1 16 . 1 1 36 36 PRO CA C 27 61.847 61.847 62.435 -0.588 18219 7936 1 16 . 1 1 37 37 SER N N 28 116.023 116.023 112.438 3.585 18219 7937 1 16 . 1 1 37 37 SER HA H 28 4.280 4.280 4.532 -0.252 18219 7938 1 16 . 1 1 37 37 SER CA C 28 61.100 61.100 59.803 1.297 18219 7939 1 16 . 1 1 37 37 SER H H 28 7.948 7.948 8.335 -0.387 18219 7940 1 16 . 1 1 38 38 LEU N N 29 124.029 124.029 122.305 1.724 18219 7941 1 16 . 1 1 38 38 LEU HA H 29 4.170 4.170 4.133 0.037 18219 7942 1 16 . 1 1 38 38 LEU C C 29 176.132 176.132 178.523 -2.391 18219 7943 1 16 . 1 1 38 38 LEU CA C 29 57.500 57.500 58.123 -0.623 18219 7944 1 16 . 1 1 38 38 LEU CB C 29 42.038 42.038 40.898 1.140 18219 7945 1 16 . 1 1 38 38 LEU H H 29 8.201 8.201 7.931 0.270 18219 7946 1 16 . 1 1 39 39 ILE N N 30 117.098 117.098 119.086 -1.988 18219 7947 1 16 . 1 1 39 39 ILE HA H 30 4.370 4.370 3.792 0.578 18219 7948 1 16 . 1 1 39 39 ILE C C 30 176.478 176.478 177.758 -1.280 18219 7949 1 16 . 1 1 39 39 ILE CA C 30 63.079 63.079 63.569 -0.490 18219 7950 1 16 . 1 1 39 39 ILE CB C 30 36.973 36.973 36.504 0.469 18219 7951 1 16 . 1 1 39 39 ILE H H 30 7.662 7.662 8.247 -0.585 18219 7952 1 16 . 1 1 40 40 ALA N N 31 122.447 122.447 123.467 -1.020 18219 7953 1 16 . 1 1 40 40 ALA HA H 31 4.034 4.034 4.081 -0.047 18219 7954 1 16 . 1 1 40 40 ALA C C 31 177.067 177.067 179.296 -2.229 18219 7955 1 16 . 1 1 40 40 ALA CA C 31 55.962 55.962 55.279 0.684 18219 7956 1 16 . 1 1 40 40 ALA CB C 31 17.856 17.856 18.289 -0.433 18219 7957 1 16 . 1 1 40 40 ALA H H 31 8.096 8.096 7.924 0.172 18219 7958 1 16 . 1 1 41 41 GLY N N 32 104.056 104.056 107.498 -3.442 18219 7959 1 16 . 1 1 41 41 GLY C C 32 174.251 174.251 176.057 -1.806 18219 7960 1 16 . 1 1 41 41 GLY CA C 32 46.500 46.500 46.836 -0.336 18219 7961 1 16 . 1 1 41 41 GLY H H 32 8.123 8.123 8.194 -0.071 18219 7962 1 16 . 1 1 42 42 LEU N N 33 123.250 123.250 123.097 0.153 18219 7963 1 16 . 1 1 42 42 LEU HA H 33 3.857 3.857 3.991 -0.134 18219 7964 1 16 . 1 1 42 42 LEU C C 33 176.033 176.033 178.402 -2.369 18219 7965 1 16 . 1 1 42 42 LEU CA C 33 56.668 56.668 58.372 -1.704 18219 7966 1 16 . 1 1 42 42 LEU CB C 33 41.721 41.721 42.077 -0.356 18219 7967 1 16 . 1 1 42 42 LEU H H 33 7.914 7.914 8.508 -0.594 18219 7968 1 16 . 1 1 43 43 PHE N N 34 119.757 119.757 119.014 0.743 18219 7969 1 16 . 1 1 43 43 PHE HA H 34 4.200 4.200 4.007 0.193 18219 7970 1 16 . 1 1 43 43 PHE C C 34 174.374 174.374 177.483 -3.109 18219 7971 1 16 . 1 1 43 43 PHE CA C 34 59.876 59.876 61.880 -2.004 18219 7972 1 16 . 1 1 43 43 PHE CB C 34 38.834 38.834 38.671 0.163 18219 7973 1 16 . 1 1 43 43 PHE H H 34 8.287 8.287 8.059 0.228 18219 7974 1 16 . 1 1 44 44 VAL N N 35 117.791 117.791 118.382 -0.591 18219 7975 1 16 . 1 1 44 44 VAL HA H 35 3.610 3.610 3.604 0.006 18219 7976 1 16 . 1 1 44 44 VAL C C 35 176.205 176.205 178.590 -2.385 18219 7977 1 16 . 1 1 44 44 VAL CA C 35 64.559 64.559 66.738 -2.179 18219 7978 1 16 . 1 1 44 44 VAL CB C 35 31.432 31.432 31.136 0.296 18219 7979 1 16 . 1 1 44 44 VAL H H 35 8.235 8.235 8.417 -0.182 18219 7980 1 16 . 1 1 45 45 GLY N N 36 108.551 108.551 106.820 1.731 18219 7981 1 16 . 1 1 45 45 GLY C C 36 173.749 173.749 176.234 -2.485 18219 7982 1 16 . 1 1 45 45 GLY CA C 36 46.083 46.083 47.101 -1.018 18219 7983 1 16 . 1 1 45 45 GLY H H 36 8.178 8.178 8.381 -0.203 18219 7984 1 16 . 1 1 46 46 CYS N N 37 121.173 121.173 122.592 -1.419 18219 7985 1 16 . 1 1 46 46 CYS HA H 37 4.180 4.180 4.225 -0.045 18219 7986 1 16 . 1 1 46 46 CYS C C 37 173.710 173.710 176.604 -2.894 18219 7987 1 16 . 1 1 46 46 CYS CA C 37 63.000 63.000 63.060 -0.060 18219 7988 1 16 . 1 1 46 46 CYS CB C 37 60.283 60.283 27.206 33.077 18219 7989 1 16 . 1 1 46 46 CYS H H 37 8.253 8.253 8.054 0.199 18219 7990 1 16 . 1 1 47 47 LEU N N 38 120.283 120.283 120.777 -0.494 18219 7991 1 16 . 1 1 47 47 LEU HA H 38 4.060 4.060 4.054 0.006 18219 7992 1 16 . 1 1 47 47 LEU C C 38 176.679 176.679 178.379 -1.700 18219 7993 1 16 . 1 1 47 47 LEU CA C 38 56.027 56.027 58.229 -2.202 18219 7994 1 16 . 1 1 47 47 LEU CB C 38 41.464 41.464 40.700 0.764 18219 7995 1 16 . 1 1 47 47 LEU H H 38 7.965 7.965 8.408 -0.443 18219 7996 1 16 . 1 1 48 48 ALA N N 39 122.249 122.249 122.055 0.194 18219 7997 1 16 . 1 1 48 48 ALA HA H 39 4.142 4.142 3.940 0.202 18219 7998 1 16 . 1 1 48 48 ALA C C 39 177.915 177.915 179.458 -1.543 18219 7999 1 16 . 1 1 48 48 ALA CA C 39 53.717 53.717 55.405 -1.688 18219 8000 1 16 . 1 1 48 48 ALA CB C 39 17.985 17.985 18.090 -0.105 18219 8001 1 16 . 1 1 48 48 ALA H H 39 8.066 8.066 8.508 -0.442 18219 8002 1 16 . 1 1 49 49 GLY N N 40 107.377 107.377 107.387 -0.010 18219 8003 1 16 . 1 1 49 49 GLY C C 40 172.527 172.527 175.505 -2.978 18219 8004 1 16 . 1 1 49 49 GLY CA C 40 45.450 45.450 46.650 -1.200 18219 8005 1 16 . 1 1 49 49 GLY H H 40 8.172 8.172 7.947 0.225 18219 8006 1 16 . 1 1 50 50 TYR N N 41 122.409 122.409 123.571 -1.162 18219 8007 1 16 . 1 1 50 50 TYR HA H 41 3.799 3.799 3.817 -0.018 18219 8008 1 16 . 1 1 50 50 TYR C C 41 174.208 174.208 177.378 -3.170 18219 8009 1 16 . 1 1 50 50 TYR CA C 41 59.245 59.245 61.107 -1.862 18219 8010 1 16 . 1 1 50 50 TYR CB C 41 37.936 37.936 38.446 -0.510 18219 8011 1 16 . 1 1 50 50 TYR H H 41 7.800 7.800 8.560 -0.760 18219 8012 1 16 . 1 1 51 51 GLY N N 42 106.935 106.935 105.117 1.818 18219 8013 1 16 . 1 1 51 51 GLY C C 42 172.642 172.642 175.498 -2.856 18219 8014 1 16 . 1 1 51 51 GLY CA C 42 46.265 46.265 45.531 0.734 18219 8015 1 16 . 1 1 51 51 GLY H H 42 8.199 8.199 7.987 0.212 18219 8016 1 16 . 1 1 52 52 ALA N N 43 123.018 123.018 124.595 -1.577 18219 8017 1 16 . 1 1 52 52 ALA HA H 43 4.150 4.150 4.000 0.150 18219 8018 1 16 . 1 1 52 52 ALA C C 43 176.398 176.398 178.519 -2.121 18219 8019 1 16 . 1 1 52 52 ALA CA C 43 52.883 52.883 54.245 -1.362 18219 8020 1 16 . 1 1 52 52 ALA CB C 43 18.241 18.241 18.195 0.046 18219 8021 1 16 . 1 1 52 52 ALA H H 43 7.758 7.758 8.007 -0.249 18219 8022 1 16 . 1 1 53 53 TYR N N 44 119.664 119.664 118.953 0.711 18219 8023 1 16 . 1 1 53 53 TYR HA H 44 4.318 4.318 4.061 0.257 18219 8024 1 16 . 1 1 53 53 TYR C C 44 174.180 174.180 177.753 -3.573 18219 8025 1 16 . 1 1 53 53 TYR CA C 44 58.593 58.593 60.929 -2.336 18219 8026 1 16 . 1 1 53 53 TYR CB C 44 38.192 38.192 38.069 0.123 18219 8027 1 16 . 1 1 53 53 TYR H H 44 7.920 7.920 8.119 -0.199 18219 8028 1 16 . 1 1 54 54 ARG N N 45 119.516 119.516 116.758 2.758 18219 8029 1 16 . 1 1 54 54 ARG HA H 45 3.930 3.930 4.105 -0.175 18219 8030 1 16 . 1 1 54 54 ARG C C 45 174.423 174.423 177.151 -2.728 18219 8031 1 16 . 1 1 54 54 ARG CA C 45 56.027 56.027 57.301 -1.274 18219 8032 1 16 . 1 1 54 54 ARG CB C 45 30.173 30.173 30.873 -0.700 18219 8033 1 16 . 1 1 54 54 ARG H H 45 7.956 7.956 7.834 0.122 18219 8034 1 16 . 1 1 55 55 VAL N N 46 116.437 116.437 115.470 0.967 18219 8035 1 16 . 1 1 55 55 VAL HA H 46 4.060 4.060 3.735 0.325 18219 8036 1 16 . 1 1 55 55 VAL C C 46 173.806 173.806 174.788 -0.982 18219 8037 1 16 . 1 1 55 55 VAL CA C 46 62.300 62.300 63.941 -1.641 18219 8038 1 16 . 1 1 55 55 VAL CB C 46 31.521 31.521 31.258 0.263 18219 8039 1 16 . 1 1 55 55 VAL H H 46 7.489 7.489 7.905 -0.416 18219 8040 1 16 . 1 1 56 56 SER N N 47 117.185 117.185 114.155 3.030 18219 8041 1 16 . 1 1 56 56 SER HA H 47 4.401 4.401 4.418 -0.017 18219 8042 1 16 . 1 1 56 56 SER C C 47 172.074 172.074 174.678 -2.604 18219 8043 1 16 . 1 1 56 56 SER CA C 47 58.133 58.133 59.366 -1.233 18219 8044 1 16 . 1 1 56 56 SER CB C 47 63.468 63.468 62.950 0.518 18219 8045 1 16 . 1 1 56 56 SER H H 47 7.728 7.728 8.532 -0.804 18219 8046 1 16 . 1 1 57 57 ASN N N 48 121.049 121.049 119.594 1.455 18219 8047 1 16 . 1 1 57 57 ASN HA H 48 4.590 4.590 4.648 -0.058 18219 8048 1 16 . 1 1 57 57 ASN CA C 48 53.600 53.600 55.153 -1.553 18219 8049 1 16 . 1 1 57 57 ASN CB C 48 38.641 38.641 39.204 -0.563 18219 8050 1 16 . 1 1 57 57 ASN H H 48 8.228 8.228 8.068 0.160 18219 8051 1 16 . 1 1 58 58 ASP N N 49 120.276 120.276 117.097 3.179 18219 8052 1 16 . 1 1 58 58 ASP HA H 49 4.530 4.530 4.762 -0.232 18219 8053 1 16 . 1 1 58 58 ASP CA C 49 54.202 54.202 53.441 0.761 18219 8054 1 16 . 1 1 58 58 ASP CB C 49 40.374 40.374 41.957 -1.583 18219 8055 1 16 . 1 1 58 58 ASP H H 49 8.192 8.192 8.452 -0.260 18219 8056 1 16 . 1 1 59 59 LYS N N 50 120.660 120.660 117.925 2.735 18219 8057 1 16 . 1 1 59 59 LYS HA H 50 4.200 4.200 3.948 0.252 18219 8058 1 16 . 1 1 59 59 LYS C C 50 173.474 173.474 176.498 -3.024 18219 8059 1 16 . 1 1 59 59 LYS CA C 50 56.300 56.300 58.753 -2.453 18219 8060 1 16 . 1 1 59 59 LYS CB C 50 32.034 32.034 30.870 1.163 18219 8061 1 16 . 1 1 59 59 LYS H H 50 8.003 8.003 7.714 0.289 18219 8062 1 16 . 1 1 60 60 ARG N N 51 121.278 121.278 120.302 0.976 18219 8063 1 16 . 1 1 60 60 ARG HA H 51 4.200 4.200 4.069 0.131 18219 8064 1 16 . 1 1 60 60 ARG C C 51 173.303 173.303 175.865 -2.562 18219 8065 1 16 . 1 1 60 60 ARG CA C 51 56.283 56.283 57.516 -1.233 18219 8066 1 16 . 1 1 60 60 ARG CB C 51 30.238 30.238 30.448 -0.210 18219 8067 1 16 . 1 1 60 60 ARG H H 51 8.091 8.091 8.099 -0.008 18219 8068 1 16 . 1 1 61 61 ASP N N 52 121.185 121.185 119.248 1.937 18219 8069 1 16 . 1 1 61 61 ASP HA H 52 4.615 4.615 4.626 -0.011 18219 8070 1 16 . 1 1 61 61 ASP C C 52 173.777 173.777 178.150 -4.373 18219 8071 1 16 . 1 1 61 61 ASP CA C 52 53.979 53.979 56.470 -2.491 18219 8072 1 16 . 1 1 61 61 ASP CB C 52 40.245 40.245 41.746 -1.501 18219 8073 1 16 . 1 1 61 61 ASP H H 52 8.261 8.261 8.399 -0.138 18219 8074 1 16 . 1 1 62 62 VAL N N 53 121.902 121.902 120.679 1.223 18219 8075 1 16 . 1 1 62 62 VAL HA H 53 3.950 3.950 3.992 -0.042 18219 8076 1 16 . 1 1 62 62 VAL C C 53 173.279 173.279 177.268 -3.989 18219 8077 1 16 . 1 1 62 62 VAL CA C 53 63.176 63.176 65.531 -2.354 18219 8078 1 16 . 1 1 62 62 VAL CB C 53 32.099 32.099 32.141 -0.042 18219 8079 1 16 . 1 1 62 62 VAL H H 53 7.997 7.997 8.034 -0.037 18219 8080 1 16 . 1 1 63 63 LYS N N 54 123.522 123.522 120.812 2.710 18219 8081 1 16 . 1 1 63 63 LYS HA H 54 4.260 4.260 4.033 0.227 18219 8082 1 16 . 1 1 63 63 LYS C C 54 174.481 174.481 177.984 -3.503 18219 8083 1 16 . 1 1 63 63 LYS CA C 54 56.347 56.347 59.788 -3.441 18219 8084 1 16 . 1 1 63 63 LYS CB C 54 32.099 32.099 31.907 0.192 18219 8085 1 16 . 1 1 63 63 LYS H H 54 8.054 8.054 8.140 -0.086 18219 8086 1 16 . 1 1 64 64 VAL N N 55 120.647 120.647 117.337 3.310 18219 8087 1 16 . 1 1 64 64 VAL HA H 55 3.947 3.947 3.933 0.014 18219 8088 1 16 . 1 1 64 64 VAL C C 55 174.955 174.955 177.746 -2.791 18219 8089 1 16 . 1 1 64 64 VAL CA C 55 64.600 64.600 65.012 -0.412 18219 8090 1 16 . 1 1 64 64 VAL CB C 55 31.877 31.877 30.776 1.101 18219 8091 1 16 . 1 1 64 64 VAL H H 55 8.225 8.225 7.872 0.353 18219 8092 1 16 . 1 1 65 65 SER N N 56 117.785 117.785 116.630 1.155 18219 8093 1 16 . 1 1 65 65 SER HA H 56 4.390 4.390 4.102 0.288 18219 8094 1 16 . 1 1 65 65 SER C C 56 172.300 172.300 176.433 -4.133 18219 8095 1 16 . 1 1 65 65 SER CA C 56 60.000 60.000 62.421 -2.421 18219 8096 1 16 . 1 1 65 65 SER CB C 56 62.879 62.879 63.103 -0.224 18219 8097 1 16 . 1 1 65 65 SER H H 56 8.260 8.260 7.509 0.751 18219 8098 1 16 . 1 1 66 66 LEU N N 57 123.318 123.318 122.280 1.038 18219 8099 1 16 . 1 1 66 66 LEU HA H 57 4.090 4.090 4.195 -0.105 18219 8100 1 16 . 1 1 66 66 LEU C C 57 175.932 175.932 178.133 -2.201 18219 8101 1 16 . 1 1 66 66 LEU CA C 57 57.502 57.502 58.321 -0.819 18219 8102 1 16 . 1 1 66 66 LEU CB C 57 41.721 41.721 42.165 -0.444 18219 8103 1 16 . 1 1 66 66 LEU H H 57 8.091 8.091 8.111 -0.020 18219 8104 1 16 . 1 1 67 67 PHE N N 58 118.020 118.020 118.699 -0.679 18219 8105 1 16 . 1 1 67 67 PHE HA H 58 4.330 4.330 3.944 0.386 18219 8106 1 16 . 1 1 67 67 PHE C C 58 174.912 174.912 177.498 -2.586 18219 8107 1 16 . 1 1 67 67 PHE CA C 58 60.600 60.600 61.613 -1.013 18219 8108 1 16 . 1 1 67 67 PHE CB C 58 38.552 38.552 38.716 -0.164 18219 8109 1 16 . 1 1 67 67 PHE H H 58 8.066 8.066 8.430 -0.364 18219 8110 1 16 . 1 1 68 68 THR N N 59 115.324 115.324 115.913 -0.589 18219 8111 1 16 . 1 1 68 68 THR HA H 59 4.310 4.310 3.835 0.475 18219 8112 1 16 . 1 1 68 68 THR C C 59 173.380 173.380 176.244 -2.864 18219 8113 1 16 . 1 1 68 68 THR CA C 59 66.313 66.313 67.543 -1.230 18219 8114 1 16 . 1 1 68 68 THR CB C 59 67.700 67.700 68.867 -1.167 18219 8115 1 16 . 1 1 68 68 THR H H 59 8.287 8.287 8.356 -0.069 18219 8116 1 16 . 1 1 69 69 ALA N N 60 123.621 123.621 124.589 -0.968 18219 8117 1 16 . 1 1 69 69 ALA HA H 60 4.280 4.280 4.031 0.249 18219 8118 1 16 . 1 1 69 69 ALA C C 60 176.978 176.978 179.906 -2.928 18219 8119 1 16 . 1 1 69 69 ALA CA C 60 55.100 55.100 55.088 0.012 18219 8120 1 16 . 1 1 69 69 ALA CB C 60 17.728 17.728 18.261 -0.533 18219 8121 1 16 . 1 1 69 69 ALA H H 60 7.983 7.983 8.049 -0.066 18219 8122 1 16 . 1 1 70 70 PHE N N 61 118.520 118.520 117.747 0.773 18219 8123 1 16 . 1 1 70 70 PHE HA H 61 4.260 4.260 4.155 0.105 18219 8124 1 16 . 1 1 70 70 PHE C C 61 175.369 175.369 177.598 -2.229 18219 8125 1 16 . 1 1 70 70 PHE CA C 61 60.179 60.179 62.361 -2.182 18219 8126 1 16 . 1 1 70 70 PHE CB C 61 38.706 38.706 38.983 -0.277 18219 8127 1 16 . 1 1 70 70 PHE H H 61 8.007 8.007 8.685 -0.678 18219 8128 1 16 . 1 1 71 71 PHE N N 62 122.314 122.314 120.043 2.271 18219 8129 1 16 . 1 1 71 71 PHE HA H 62 4.000 4.000 4.056 -0.056 18219 8130 1 16 . 1 1 71 71 PHE C C 62 174.697 174.697 177.425 -2.728 18219 8131 1 16 . 1 1 71 71 PHE CA C 62 60.517 60.517 62.207 -1.690 18219 8132 1 16 . 1 1 71 71 PHE CB C 62 38.770 38.770 38.679 0.091 18219 8133 1 16 . 1 1 71 71 PHE H H 62 8.546 8.546 8.119 0.427 18219 8134 1 16 . 1 1 72 72 LEU N N 63 119.399 119.399 119.568 -0.169 18219 8135 1 16 . 1 1 72 72 LEU HA H 63 3.870 3.870 3.810 0.060 18219 8136 1 16 . 1 1 72 72 LEU C C 63 175.774 175.774 178.687 -2.913 18219 8137 1 16 . 1 1 72 72 LEU CA C 63 56.925 56.925 58.516 -1.591 18219 8138 1 16 . 1 1 72 72 LEU CB C 63 41.207 41.207 41.662 -0.455 18219 8139 1 16 . 1 1 72 72 LEU H H 63 8.396 8.396 8.708 -0.312 18219 8140 1 16 . 1 1 73 73 ALA N N 64 120.221 120.221 121.072 -0.851 18219 8141 1 16 . 1 1 73 73 ALA HA H 64 3.960 3.960 3.841 0.119 18219 8142 1 16 . 1 1 73 73 ALA C C 64 177.267 177.267 179.519 -2.252 18219 8143 1 16 . 1 1 73 73 ALA CA C 64 54.600 54.600 55.504 -0.904 18219 8144 1 16 . 1 1 73 73 ALA CB C 64 17.784 17.784 17.723 0.062 18219 8145 1 16 . 1 1 73 73 ALA H H 64 8.025 8.025 8.039 -0.014 18219 8146 1 16 . 1 1 74 74 THR N N 65 113.648 113.648 115.124 -1.476 18219 8147 1 16 . 1 1 74 74 THR HA H 65 3.980 3.980 3.918 0.062 18219 8148 1 16 . 1 1 74 74 THR CA C 65 66.291 66.291 66.250 0.041 18219 8149 1 16 . 1 1 74 74 THR CB C 65 67.914 67.914 68.820 -0.906 18219 8150 1 16 . 1 1 74 74 THR H H 65 7.717 7.717 7.750 -0.033 18219 8151 1 16 . 1 1 75 75 ILE N N 66 120.291 120.291 119.731 0.560 18219 8152 1 16 . 1 1 75 75 ILE HA H 66 3.740 3.740 3.576 0.164 18219 8153 1 16 . 1 1 75 75 ILE C C 66 174.951 174.951 178.504 -3.553 18219 8154 1 16 . 1 1 75 75 ILE CA C 66 64.880 64.880 63.897 0.983 18219 8155 1 16 . 1 1 75 75 ILE CB C 66 37.166 37.166 37.512 -0.346 18219 8156 1 16 . 1 1 75 75 ILE H H 66 7.738 7.738 8.299 -0.561 18219 8157 1 16 . 1 1 76 76 MET N N 67 117.618 117.618 116.924 0.694 18219 8158 1 16 . 1 1 76 76 MET HA H 67 4.220 4.220 4.165 0.055 18219 8159 1 16 . 1 1 76 76 MET C C 67 175.142 175.142 177.762 -2.620 18219 8160 1 16 . 1 1 76 76 MET CA C 67 56.723 56.723 57.795 -1.072 18219 8161 1 16 . 1 1 76 76 MET CB C 67 31.951 31.951 33.401 -1.450 18219 8162 1 16 . 1 1 76 76 MET H H 67 7.823 7.823 8.352 -0.529 18219 8163 1 16 . 1 1 77 77 GLY N N 68 107.110 107.110 105.109 2.001 18219 8164 1 16 . 1 1 77 77 GLY C C 68 172.260 172.260 175.285 -3.025 18219 8165 1 16 . 1 1 77 77 GLY CA C 68 45.800 45.800 45.363 0.437 18219 8166 1 16 . 1 1 77 77 GLY H H 68 7.937 7.937 8.267 -0.330 18219 8167 1 16 . 1 1 78 78 VAL N N 69 120.431 120.431 118.512 1.919 18219 8168 1 16 . 1 1 78 78 VAL HA H 69 4.220 4.220 3.670 0.550 18219 8169 1 16 . 1 1 78 78 VAL CA C 69 63.900 63.900 64.403 -0.504 18219 8170 1 16 . 1 1 78 78 VAL CB C 69 31.506 31.506 31.701 -0.195 18219 8171 1 16 . 1 1 78 78 VAL H H 69 7.697 7.697 7.955 -0.258 18219 8172 1 16 . 1 1 79 79 ARG N N 70 121.420 121.420 120.775 0.645 18219 8173 1 16 . 1 1 79 79 ARG HA H 70 3.810 3.810 4.026 -0.216 18219 8174 1 16 . 1 1 79 79 ARG CA C 70 56.400 56.400 56.986 -0.586 18219 8175 1 16 . 1 1 79 79 ARG CB C 70 30.097 30.097 29.031 1.066 18219 8176 1 16 . 1 1 79 79 ARG H H 70 7.889 7.889 8.075 -0.186 18219 8177 1 16 . 1 1 80 80 PHE N N 71 119.949 119.949 124.285 -4.336 18219 8178 1 16 . 1 1 80 80 PHE HA H 71 4.510 4.510 4.590 -0.080 18219 8179 1 16 . 1 1 80 80 PHE CA C 71 58.600 58.600 58.318 0.282 18219 8180 1 16 . 1 1 80 80 PHE CB C 71 39.145 39.145 39.724 -0.578 18219 8181 1 16 . 1 1 80 80 PHE H H 71 8.101 8.101 8.277 -0.176 18219 8182 1 16 . 1 1 81 81 LYS N N 72 122.193 122.193 119.479 2.714 18219 8183 1 16 . 1 1 81 81 LYS CA C 72 56.800 56.800 55.571 1.229 18219 8184 1 16 . 1 1 81 81 LYS CB C 72 32.322 32.322 34.383 -2.061 18219 8185 1 16 . 1 1 81 81 LYS H H 72 8.090 8.090 7.972 0.118 18219 8186 1 16 . 1 1 82 82 ARG N N 73 119.650 119.650 121.935 -2.285 18219 8187 1 16 . 1 1 82 82 ARG CA C 73 56.089 56.089 56.631 -0.542 18219 8188 1 16 . 1 1 82 82 ARG CB C 73 30.171 30.171 29.253 0.918 18219 8189 1 16 . 1 1 82 82 ARG H H 73 8.052 8.052 8.350 -0.298 18219 8190 1 16 . 1 1 83 83 SER N N 74 115.734 115.734 114.247 1.487 18219 8191 1 16 . 1 1 83 83 SER CA C 74 58.355 58.355 58.133 0.222 18219 8192 1 16 . 1 1 83 83 SER CB C 74 63.404 63.404 64.816 -1.412 18219 8193 1 16 . 1 1 83 83 SER H H 74 7.912 7.912 8.191 -0.279 18219 8194 1 16 . 1 1 84 84 LYS N N 75 122.370 122.370 123.655 -1.285 18219 8195 1 16 . 1 1 84 84 LYS CA C 75 56.135 56.135 57.221 -1.085 18219 8196 1 16 . 1 1 84 84 LYS CB C 75 32.175 32.175 33.305 -1.130 18219 8197 1 16 . 1 1 84 84 LYS H H 75 8.067 8.067 8.295 -0.228 18219 8198 1 16 . 1 1 86 86 ILE N N 77 119.592 119.592 120.910 -1.318 18219 8199 1 16 . 1 1 86 86 ILE HA H 77 3.810 3.810 4.135 -0.325 18219 8200 1 16 . 1 1 86 86 ILE CA C 77 64.900 64.900 61.920 2.980 18219 8201 1 16 . 1 1 86 86 ILE CB C 77 39.145 39.145 39.418 -0.273 18219 8202 1 16 . 1 1 86 86 ILE H H 77 7.837 7.837 8.026 -0.189 18219 8203 1 16 . 1 1 87 87 MET N N 78 121.645 121.645 119.288 2.357 18219 8204 1 16 . 1 1 87 87 MET CA C 78 52.982 52.982 59.365 -6.383 18219 8205 1 16 . 1 1 87 87 MET CB C 78 32.173 32.173 31.420 0.753 18219 8206 1 16 . 1 1 87 87 MET H H 78 7.950 7.950 8.188 -0.238 18219 8207 1 16 . 1 1 88 88 PRO HA H 79 4.140 4.140 4.525 -0.385 18219 8208 1 16 . 1 1 88 88 PRO C C 79 173.921 173.921 175.856 -1.935 18219 8209 1 16 . 1 1 88 88 PRO CA C 79 62.800 62.800 62.353 0.447 18219 8210 1 16 . 1 1 88 88 PRO CB C 79 31.136 31.136 29.231 1.905 18219 8211 1 16 . 1 1 89 89 ALA N N 80 124.431 124.431 123.412 1.019 18219 8212 1 16 . 1 1 89 89 ALA HA H 80 4.400 4.400 4.201 0.199 18219 8213 1 16 . 1 1 89 89 ALA C C 80 176.234 176.234 179.262 -3.028 18219 8214 1 16 . 1 1 89 89 ALA CA C 80 53.300 53.300 55.146 -1.846 18219 8215 1 16 . 1 1 89 89 ALA CB C 80 18.498 18.498 18.757 -0.259 18219 8216 1 16 . 1 1 89 89 ALA H H 80 8.320 8.320 8.441 -0.121 18219 8217 1 16 . 1 1 90 90 GLY N N 81 106.834 106.834 106.654 0.180 18219 8218 1 16 . 1 1 90 90 GLY C C 81 172.398 172.398 175.143 -2.745 18219 8219 1 16 . 1 1 90 90 GLY CA C 81 45.600 45.600 46.033 -0.433 18219 8220 1 16 . 1 1 90 90 GLY H H 81 8.458 8.458 8.758 -0.300 18219 8221 1 16 . 1 1 91 91 LEU N N 82 121.043 121.043 122.620 -1.577 18219 8222 1 16 . 1 1 91 91 LEU HA H 82 4.200 4.200 4.066 0.134 18219 8223 1 16 . 1 1 91 91 LEU C C 82 174.783 174.783 178.401 -3.618 18219 8224 1 16 . 1 1 91 91 LEU CA C 82 56.300 56.300 58.113 -1.813 18219 8225 1 16 . 1 1 91 91 LEU CB C 82 42.106 42.106 42.283 -0.177 18219 8226 1 16 . 1 1 91 91 LEU H H 82 7.687 7.687 7.546 0.141 18219 8227 1 16 . 1 1 92 92 VAL N N 83 114.737 114.737 115.610 -0.873 18219 8228 1 16 . 1 1 92 92 VAL HA H 83 3.980 3.980 3.668 0.312 18219 8229 1 16 . 1 1 92 92 VAL C C 83 173.634 173.634 177.849 -4.215 18219 8230 1 16 . 1 1 92 92 VAL CA C 83 62.400 62.400 66.474 -4.074 18219 8231 1 16 . 1 1 92 92 VAL CB C 83 31.585 31.585 31.229 0.356 18219 8232 1 16 . 1 1 92 92 VAL H H 83 7.602 7.602 7.504 0.098 18219 8233 1 16 . 1 1 93 93 ALA N N 84 124.320 124.320 121.580 2.740 18219 8234 1 16 . 1 1 93 93 ALA HA H 84 4.150 4.150 4.111 0.039 18219 8235 1 16 . 1 1 93 93 ALA C C 84 175.746 175.746 179.685 -3.939 18219 8236 1 16 . 1 1 93 93 ALA CA C 84 53.300 53.300 55.367 -2.067 18219 8237 1 16 . 1 1 93 93 ALA CB C 84 18.241 18.241 17.830 0.411 18219 8238 1 16 . 1 1 93 93 ALA H H 84 7.891 7.891 8.400 -0.509 18219 8239 1 16 . 1 1 94 94 GLY N N 85 106.807 106.807 107.740 -0.933 18219 8240 1 16 . 1 1 94 94 GLY C C 85 171.752 171.752 175.934 -4.182 18219 8241 1 16 . 1 1 94 94 GLY CA C 85 45.249 45.249 46.555 -1.306 18219 8242 1 16 . 1 1 94 94 GLY H H 85 8.204 8.204 7.882 0.322 18219 8243 1 16 . 1 1 95 95 LEU N N 86 121.266 121.266 122.244 -0.978 18219 8244 1 16 . 1 1 95 95 LEU HA H 86 4.380 4.380 4.286 0.094 18219 8245 1 16 . 1 1 95 95 LEU C C 86 173.702 173.702 179.619 -5.917 18219 8246 1 16 . 1 1 95 95 LEU CA C 86 55.000 55.000 57.556 -2.556 18219 8247 1 16 . 1 1 95 95 LEU CB C 86 42.298 42.298 41.684 0.615 18219 8248 1 16 . 1 1 95 95 LEU H H 86 7.718 7.718 8.191 -0.473 18219 8249 1 16 . 1 1 96 96 SER N N 87 115.658 115.658 116.766 -1.108 18219 8250 1 16 . 1 1 96 96 SER HA H 87 4.370 4.370 4.264 0.106 18219 8251 1 16 . 1 1 96 96 SER C C 87 172.479 172.479 176.392 -3.913 18219 8252 1 16 . 1 1 96 96 SER CA C 87 57.200 57.200 62.429 -5.229 18219 8253 1 16 . 1 1 96 96 SER CB C 87 64.174 64.174 63.120 1.054 18219 8254 1 16 . 1 1 96 96 SER H H 87 7.659 7.659 8.323 -0.664 18219 8255 1 16 . 1 1 97 97 LEU N N 88 123.720 123.720 122.456 1.264 18219 8256 1 16 . 1 1 97 97 LEU HA H 88 4.600 4.600 4.080 0.520 18219 8257 1 16 . 1 1 97 97 LEU C C 88 175.932 175.932 178.929 -2.997 18219 8258 1 16 . 1 1 97 97 LEU CA C 88 57.600 57.600 57.653 -0.053 18219 8259 1 16 . 1 1 97 97 LEU CB C 88 41.400 41.400 41.295 0.104 18219 8260 1 16 . 1 1 97 97 LEU H H 88 8.733 8.733 8.047 0.686 18219 8261 1 16 . 1 1 98 98 MET N N 89 116.684 116.684 120.143 -3.459 18219 8262 1 16 . 1 1 98 98 MET HA H 89 4.280 4.280 4.171 0.109 18219 8263 1 16 . 1 1 98 98 MET C C 89 175.789 175.789 178.041 -2.252 18219 8264 1 16 . 1 1 98 98 MET CA C 89 56.915 56.915 59.036 -2.121 18219 8265 1 16 . 1 1 98 98 MET CB C 89 31.007 31.007 32.767 -1.760 18219 8266 1 16 . 1 1 98 98 MET H H 89 8.342 8.342 8.224 0.118 18219 8267 1 16 . 1 1 99 99 MET N N 90 119.182 119.182 118.124 1.058 18219 8268 1 16 . 1 1 99 99 MET HA H 90 4.110 4.110 4.258 -0.148 18219 8269 1 16 . 1 1 99 99 MET C C 90 175.588 175.588 179.058 -3.470 18219 8270 1 16 . 1 1 99 99 MET CA C 90 57.951 57.951 58.628 -0.677 18219 8271 1 16 . 1 1 99 99 MET CB C 90 32.226 32.226 32.014 0.212 18219 8272 1 16 . 1 1 99 99 MET H H 90 7.720 7.720 8.256 -0.536 18219 8273 1 16 . 1 1 100 100 ILE N N 91 119.077 119.077 119.984 -0.907 18219 8274 1 16 . 1 1 100 100 ILE HA H 91 4.110 4.110 3.916 0.194 18219 8275 1 16 . 1 1 100 100 ILE C C 91 174.634 174.634 177.160 -2.526 18219 8276 1 16 . 1 1 100 100 ILE CA C 91 64.100 64.100 64.533 -0.433 18219 8277 1 16 . 1 1 100 100 ILE CB C 91 37.143 37.143 38.549 -1.406 18219 8278 1 16 . 1 1 100 100 ILE H H 91 7.662 7.662 8.414 -0.752 18219 8279 1 16 . 1 1 101 101 LEU N N 92 119.646 119.646 121.349 -1.703 18219 8280 1 16 . 1 1 101 101 LEU HA H 92 4.530 4.530 3.941 0.589 18219 8281 1 16 . 1 1 101 101 LEU C C 92 175.430 175.430 178.652 -3.222 18219 8282 1 16 . 1 1 101 101 LEU CA C 92 57.800 57.800 57.990 -0.190 18219 8283 1 16 . 1 1 101 101 LEU CB C 92 40.758 40.758 41.734 -0.976 18219 8284 1 16 . 1 1 101 101 LEU H H 92 8.142 8.142 7.744 0.398 18219 8285 1 16 . 1 1 102 102 ARG N N 93 116.394 116.394 118.295 -1.901 18219 8286 1 16 . 1 1 102 102 ARG HA H 93 4.140 4.140 4.302 -0.162 18219 8287 1 16 . 1 1 102 102 ARG C C 93 175.961 175.961 178.604 -2.643 18219 8288 1 16 . 1 1 102 102 ARG CA C 93 59.100 59.100 58.411 0.689 18219 8289 1 16 . 1 1 102 102 ARG CB C 93 29.404 29.404 30.599 -1.195 18219 8290 1 16 . 1 1 102 102 ARG H H 93 7.893 7.893 8.321 -0.428 18219 8291 1 16 . 1 1 103 103 LEU N N 94 119.114 119.114 121.415 -2.301 18219 8292 1 16 . 1 1 103 103 LEU HA H 94 4.110 4.110 4.179 -0.069 18219 8293 1 16 . 1 1 103 103 LEU C C 94 175.889 175.889 177.951 -2.062 18219 8294 1 16 . 1 1 103 103 LEU CA C 94 57.300 57.300 57.604 -0.304 18219 8295 1 16 . 1 1 103 103 LEU CB C 94 41.296 41.296 42.008 -0.712 18219 8296 1 16 . 1 1 103 103 LEU H H 94 7.622 7.622 7.715 -0.093 18219 8297 1 16 . 1 1 104 104 VAL N N 95 117.704 117.704 117.964 -0.260 18219 8298 1 16 . 1 1 104 104 VAL HA H 95 3.530 3.530 3.810 -0.280 18219 8299 1 16 . 1 1 104 104 VAL C C 95 175.042 175.042 177.511 -2.469 18219 8300 1 16 . 1 1 104 104 VAL CA C 95 66.419 66.419 64.753 1.666 18219 8301 1 16 . 1 1 104 104 VAL CB C 95 31.357 31.357 32.110 -0.753 18219 8302 1 16 . 1 1 104 104 VAL H H 95 8.026 8.026 8.356 -0.330 18219 8303 1 16 . 1 1 105 105 LEU N N 96 117.185 117.185 116.040 1.145 18219 8304 1 16 . 1 1 105 105 LEU HA H 96 3.980 3.980 4.159 -0.179 18219 8305 1 16 . 1 1 105 105 LEU C C 96 176.579 176.579 178.069 -1.490 18219 8306 1 16 . 1 1 105 105 LEU CA C 96 56.800 56.800 56.442 0.358 18219 8307 1 16 . 1 1 105 105 LEU CB C 96 40.951 40.951 42.187 -1.236 18219 8308 1 16 . 1 1 105 105 LEU H H 96 7.893 7.893 7.498 0.395 18219 8309 1 16 . 1 1 106 106 LEU N N 97 118.471 118.471 118.316 0.155 18219 8310 1 16 . 1 1 106 106 LEU HA H 97 4.180 4.180 3.908 0.272 18219 8311 1 16 . 1 1 106 106 LEU C C 97 175.802 175.802 176.053 -0.251 18219 8312 1 16 . 1 1 106 106 LEU CA C 97 56.300 56.300 55.119 1.181 18219 8313 1 16 . 1 1 106 106 LEU CB C 97 41.592 41.592 40.512 1.080 18219 8314 1 16 . 1 1 106 106 LEU H H 97 7.545 7.545 7.753 -0.208 18219 8315 1 16 . 1 1 107 107 LEU N N 98 118.162 118.162 114.139 4.023 18219 8316 1 16 . 1 1 107 107 LEU HA H 98 4.230 4.230 3.835 0.395 18219 8317 1 16 . 1 1 107 107 LEU C C 98 174.174 174.174 177.623 -3.449 18219 8318 1 16 . 1 1 107 107 LEU CA C 98 56.283 56.283 55.618 0.665 18219 8319 1 16 . 1 1 107 107 LEU CB C 98 42.362 42.362 39.577 2.785 18219 8320 1 16 . 1 1 107 107 LEU H H 98 7.688 7.688 8.281 -0.593 18219 8321 1 17 . 1 1 11 11 ASP N N 2 120.536 120.536 120.800 -0.264 18219 8322 1 17 . 1 1 11 11 ASP CA C 2 55.918 55.918 54.215 1.703 18219 8323 1 17 . 1 1 11 11 ASP CB C 2 37.959 37.959 41.131 -3.172 18219 8324 1 17 . 1 1 11 11 ASP H H 2 7.863 7.863 8.280 -0.417 18219 8325 1 17 . 1 1 12 12 LEU N N 3 121.414 121.414 123.078 -1.664 18219 8326 1 17 . 1 1 12 12 LEU C C 3 176.162 176.162 178.502 -2.340 18219 8327 1 17 . 1 1 12 12 LEU CA C 3 57.600 57.600 55.516 2.084 18219 8328 1 17 . 1 1 12 12 LEU CB C 3 41.657 41.657 42.577 -0.920 18219 8329 1 17 . 1 1 12 12 LEU H H 3 8.285 8.285 7.935 0.350 18219 8330 1 17 . 1 1 13 13 ILE N N 4 118.854 118.854 118.741 0.113 18219 8331 1 17 . 1 1 13 13 ILE HA H 4 3.740 3.740 3.873 -0.133 18219 8332 1 17 . 1 1 13 13 ILE C C 4 175.228 175.228 177.728 -2.500 18219 8333 1 17 . 1 1 13 13 ILE CA C 4 64.500 64.500 63.522 0.978 18219 8334 1 17 . 1 1 13 13 ILE CB C 4 37.102 37.102 37.894 -0.792 18219 8335 1 17 . 1 1 13 13 ILE H H 4 8.031 8.031 7.931 0.100 18219 8336 1 17 . 1 1 14 14 GLY N N 5 107.478 107.478 106.316 1.162 18219 8337 1 17 . 1 1 14 14 GLY C C 5 174.424 174.424 175.789 -1.365 18219 8338 1 17 . 1 1 14 14 GLY CA C 5 47.059 47.059 46.521 0.538 18219 8339 1 17 . 1 1 14 14 GLY H H 5 8.148 8.148 8.327 -0.179 18219 8340 1 17 . 1 1 15 15 PHE N N 6 122.774 122.774 123.742 -0.968 18219 8341 1 17 . 1 1 15 15 PHE HA H 6 4.480 4.480 4.219 0.261 18219 8342 1 17 . 1 1 15 15 PHE C C 6 175.113 175.113 177.042 -1.929 18219 8343 1 17 . 1 1 15 15 PHE CA C 6 60.017 60.017 62.123 -2.107 18219 8344 1 17 . 1 1 15 15 PHE CB C 6 38.774 38.774 38.509 0.265 18219 8345 1 17 . 1 1 15 15 PHE H H 6 8.194 8.194 8.035 0.159 18219 8346 1 17 . 1 1 16 16 GLY N N 7 107.938 107.938 106.456 1.482 18219 8347 1 17 . 1 1 16 16 GLY C C 7 171.838 171.838 175.554 -3.716 18219 8348 1 17 . 1 1 16 16 GLY CA C 7 47.100 47.100 47.423 -0.323 18219 8349 1 17 . 1 1 16 16 GLY H H 7 8.697 8.697 8.637 0.060 18219 8350 1 17 . 1 1 17 17 TYR N N 8 121.785 121.785 123.814 -2.029 18219 8351 1 17 . 1 1 17 17 TYR HA H 8 4.150 4.150 4.116 0.034 18219 8352 1 17 . 1 1 17 17 TYR C C 8 174.180 174.180 177.793 -3.613 18219 8353 1 17 . 1 1 17 17 TYR CA C 8 61.300 61.300 60.307 0.993 18219 8354 1 17 . 1 1 17 17 TYR CB C 8 37.959 37.959 38.307 -0.348 18219 8355 1 17 . 1 1 17 17 TYR H H 8 8.710 8.710 8.180 0.530 18219 8356 1 17 . 1 1 18 18 ALA N N 9 120.233 120.233 120.325 -0.092 18219 8357 1 17 . 1 1 18 18 ALA HA H 9 3.950 3.950 3.808 0.142 18219 8358 1 17 . 1 1 18 18 ALA C C 9 178.059 178.059 179.232 -1.173 18219 8359 1 17 . 1 1 18 18 ALA CA C 9 54.872 54.872 54.623 0.249 18219 8360 1 17 . 1 1 18 18 ALA CB C 9 17.562 17.562 17.898 -0.336 18219 8361 1 17 . 1 1 18 18 ALA H H 9 7.843 7.843 8.673 -0.830 18219 8362 1 17 . 1 1 19 19 ALA N N 10 121.797 121.797 122.727 -0.930 18219 8363 1 17 . 1 1 19 19 ALA HA H 10 3.950 3.950 3.925 0.025 18219 8364 1 17 . 1 1 19 19 ALA C C 10 176.191 176.191 179.415 -3.224 18219 8365 1 17 . 1 1 19 19 ALA CA C 10 54.600 54.600 54.915 -0.315 18219 8366 1 17 . 1 1 19 19 ALA CB C 10 17.562 17.562 18.261 -0.699 18219 8367 1 17 . 1 1 19 19 ALA H H 10 8.212 8.212 8.173 0.039 18219 8368 1 17 . 1 1 20 20 LEU N N 11 119.442 119.442 117.357 2.085 18219 8369 1 17 . 1 1 20 20 LEU HA H 11 3.937 3.937 3.941 -0.004 18219 8370 1 17 . 1 1 20 20 LEU C C 11 176.694 176.694 178.806 -2.112 18219 8371 1 17 . 1 1 20 20 LEU CA C 11 57.800 57.800 57.879 -0.079 18219 8372 1 17 . 1 1 20 20 LEU CB C 11 41.222 41.222 41.023 0.199 18219 8373 1 17 . 1 1 20 20 LEU H H 11 8.065 8.065 8.449 -0.384 18219 8374 1 17 . 1 1 21 21 VAL N N 12 118.323 118.323 120.231 -1.908 18219 8375 1 17 . 1 1 21 21 VAL HA H 12 3.640 3.640 3.434 0.206 18219 8376 1 17 . 1 1 21 21 VAL C C 12 176.536 176.536 178.396 -1.860 18219 8377 1 17 . 1 1 21 21 VAL CA C 12 65.400 65.400 66.981 -1.581 18219 8378 1 17 . 1 1 21 21 VAL CB C 12 31.135 31.135 30.669 0.466 18219 8379 1 17 . 1 1 21 21 VAL H H 12 8.051 8.051 8.109 -0.058 18219 8380 1 17 . 1 1 22 22 THR N N 13 118.298 118.298 116.668 1.630 18219 8381 1 17 . 1 1 22 22 THR HA H 13 4.660 4.660 3.962 0.698 18219 8382 1 17 . 1 1 22 22 THR C C 13 173.734 173.734 176.409 -2.675 18219 8383 1 17 . 1 1 22 22 THR CA C 13 66.300 66.300 67.134 -0.834 18219 8384 1 17 . 1 1 22 22 THR CB C 13 67.775 67.775 68.609 -0.834 18219 8385 1 17 . 1 1 22 22 THR H H 13 7.944 7.944 8.061 -0.117 18219 8386 1 17 . 1 1 23 23 PHE N N 14 121.328 121.328 122.325 -0.997 18219 8387 1 17 . 1 1 23 23 PHE HA H 14 4.340 4.340 4.147 0.193 18219 8388 1 17 . 1 1 23 23 PHE C C 14 174.783 174.783 177.199 -2.416 18219 8389 1 17 . 1 1 23 23 PHE CA C 14 60.500 60.500 61.564 -1.064 18219 8390 1 17 . 1 1 23 23 PHE CB C 14 38.626 38.626 38.847 -0.221 18219 8391 1 17 . 1 1 23 23 PHE H H 14 8.567 8.567 8.337 0.230 18219 8392 1 17 . 1 1 24 24 GLY N N 15 106.871 106.871 105.149 1.722 18219 8393 1 17 . 1 1 24 24 GLY C C 15 172.858 172.858 176.912 -4.054 18219 8394 1 17 . 1 1 24 24 GLY CA C 15 46.900 46.900 47.118 -0.218 18219 8395 1 17 . 1 1 24 24 GLY H H 15 8.475 8.475 8.908 -0.433 18219 8396 1 17 . 1 1 25 25 SER N N 16 116.214 116.214 117.236 -1.022 18219 8397 1 17 . 1 1 25 25 SER HA H 16 4.280 4.280 4.227 0.053 18219 8398 1 17 . 1 1 25 25 SER CA C 16 60.300 60.300 61.216 -0.916 18219 8399 1 17 . 1 1 25 25 SER CB C 16 62.879 62.879 63.093 -0.214 18219 8400 1 17 . 1 1 25 25 SER H H 16 7.963 7.963 7.862 0.101 18219 8401 1 17 . 1 1 26 26 ILE N N 17 121.024 121.024 122.402 -1.378 18219 8402 1 17 . 1 1 26 26 ILE HA H 17 3.946 3.946 3.776 0.170 18219 8403 1 17 . 1 1 26 26 ILE C C 17 173.935 173.935 178.236 -4.301 18219 8404 1 17 . 1 1 26 26 ILE CA C 17 63.100 63.100 63.612 -0.512 18219 8405 1 17 . 1 1 26 26 ILE CB C 17 38.107 38.107 37.566 0.540 18219 8406 1 17 . 1 1 26 26 ILE H H 17 7.676 7.676 8.015 -0.339 18219 8407 1 17 . 1 1 27 27 PHE N N 18 117.142 117.142 117.543 -0.401 18219 8408 1 17 . 1 1 27 27 PHE HA H 18 4.430 4.430 4.042 0.388 18219 8409 1 17 . 1 1 27 27 PHE C C 18 173.504 173.504 177.025 -3.521 18219 8410 1 17 . 1 1 27 27 PHE CA C 18 58.500 58.500 60.472 -1.972 18219 8411 1 17 . 1 1 27 27 PHE CB C 18 38.774 38.774 39.206 -0.432 18219 8412 1 17 . 1 1 27 27 PHE H H 18 7.703 7.703 8.197 -0.494 18219 8413 1 17 . 1 1 28 28 GLY N N 19 107.303 107.303 105.846 1.457 18219 8414 1 17 . 1 1 28 28 GLY C C 19 171.593 171.593 173.264 -1.671 18219 8415 1 17 . 1 1 28 28 GLY CA C 19 45.600 45.600 45.390 0.210 18219 8416 1 17 . 1 1 28 28 GLY H H 19 7.722 7.722 7.970 -0.248 18219 8417 1 17 . 1 1 29 29 TYR N N 20 119.862 119.862 119.203 0.659 18219 8418 1 17 . 1 1 29 29 TYR HA H 20 4.392 4.392 4.679 -0.287 18219 8419 1 17 . 1 1 29 29 TYR C C 20 173.174 173.174 175.366 -2.192 18219 8420 1 17 . 1 1 29 29 TYR CA C 20 58.500 58.500 56.918 1.582 18219 8421 1 17 . 1 1 29 29 TYR CB C 20 38.404 38.404 39.566 -1.162 18219 8422 1 17 . 1 1 29 29 TYR H H 20 7.880 7.880 7.928 -0.048 18219 8423 1 17 . 1 1 30 30 LYS N N 21 122.335 122.335 124.763 -2.428 18219 8424 1 17 . 1 1 30 30 LYS HA H 21 4.390 4.390 4.294 0.096 18219 8425 1 17 . 1 1 30 30 LYS C C 21 173.547 173.547 177.032 -3.485 18219 8426 1 17 . 1 1 30 30 LYS CA C 21 55.800 55.800 59.251 -3.451 18219 8427 1 17 . 1 1 30 30 LYS CB C 21 32.396 32.396 32.985 -0.589 18219 8428 1 17 . 1 1 30 30 LYS H H 21 7.934 7.934 8.665 -0.731 18219 8429 1 17 . 1 1 31 31 ARG N N 22 120.612 120.612 113.702 6.910 18219 8430 1 17 . 1 1 31 31 ARG C C 22 173.547 173.547 176.079 -2.532 18219 8431 1 17 . 1 1 31 31 ARG CA C 22 55.834 55.834 56.112 -0.278 18219 8432 1 17 . 1 1 31 31 ARG CB C 22 30.101 30.101 30.465 -0.364 18219 8433 1 17 . 1 1 31 31 ARG H H 22 7.905 7.905 8.072 -0.167 18219 8434 1 17 . 1 1 32 32 ARG N N 23 121.748 121.748 120.755 0.993 18219 8435 1 17 . 1 1 32 32 ARG HA H 23 4.310 4.310 4.427 -0.117 18219 8436 1 17 . 1 1 32 32 ARG C C 23 173.863 173.863 176.176 -2.313 18219 8437 1 17 . 1 1 32 32 ARG CA C 23 55.800 55.800 55.314 0.486 18219 8438 1 17 . 1 1 32 32 ARG CB C 23 30.245 30.245 31.029 -0.784 18219 8439 1 17 . 1 1 32 32 ARG H H 23 8.175 8.175 8.099 0.076 18219 8440 1 17 . 1 1 33 33 GLY N N 24 109.528 109.528 107.243 2.285 18219 8441 1 17 . 1 1 33 33 GLY C C 24 171.752 171.752 173.954 -2.202 18219 8442 1 17 . 1 1 33 33 GLY CA C 24 44.900 44.900 44.916 -0.016 18219 8443 1 17 . 1 1 33 33 GLY H H 24 8.264 8.264 8.443 -0.179 18219 8444 1 17 . 1 1 34 34 GLY N N 25 108.563 108.563 109.699 -1.136 18219 8445 1 17 . 1 1 34 34 GLY C C 25 171.701 171.701 174.824 -3.123 18219 8446 1 17 . 1 1 34 34 GLY CA C 25 44.600 44.600 44.810 -0.210 18219 8447 1 17 . 1 1 34 34 GLY H H 25 8.208 8.208 8.227 -0.019 18219 8448 1 17 . 1 1 35 35 VAL N N 26 121.164 121.164 120.882 0.282 18219 8449 1 17 . 1 1 35 35 VAL HA H 26 4.010 4.010 3.932 0.078 18219 8450 1 17 . 1 1 35 35 VAL C C 26 175.888 175.888 175.726 0.162 18219 8451 1 17 . 1 1 35 35 VAL CA C 26 63.900 63.900 65.047 -1.147 18219 8452 1 17 . 1 1 35 35 VAL CB C 26 30.690 30.690 31.470 -0.779 18219 8453 1 17 . 1 1 35 35 VAL H H 26 8.485 8.485 8.173 0.312 18219 8454 1 17 . 1 1 36 36 PRO C C 27 177.660 177.660 175.800 1.860 18219 8455 1 17 . 1 1 36 36 PRO CA C 27 61.847 61.847 63.716 -1.869 18219 8456 1 17 . 1 1 37 37 SER N N 28 116.023 116.023 115.117 0.906 18219 8457 1 17 . 1 1 37 37 SER HA H 28 4.280 4.280 4.698 -0.418 18219 8458 1 17 . 1 1 37 37 SER CA C 28 61.100 61.100 60.097 1.003 18219 8459 1 17 . 1 1 37 37 SER H H 28 7.948 7.948 8.323 -0.375 18219 8460 1 17 . 1 1 38 38 LEU N N 29 124.029 124.029 122.063 1.966 18219 8461 1 17 . 1 1 38 38 LEU HA H 29 4.170 4.170 4.029 0.141 18219 8462 1 17 . 1 1 38 38 LEU C C 29 176.132 176.132 178.340 -2.208 18219 8463 1 17 . 1 1 38 38 LEU CA C 29 57.500 57.500 58.279 -0.779 18219 8464 1 17 . 1 1 38 38 LEU CB C 29 42.038 42.038 40.940 1.098 18219 8465 1 17 . 1 1 38 38 LEU H H 29 8.201 8.201 7.488 0.713 18219 8466 1 17 . 1 1 39 39 ILE N N 30 117.098 117.098 119.443 -2.345 18219 8467 1 17 . 1 1 39 39 ILE HA H 30 4.370 4.370 3.647 0.723 18219 8468 1 17 . 1 1 39 39 ILE C C 30 176.478 176.478 177.681 -1.203 18219 8469 1 17 . 1 1 39 39 ILE CA C 30 63.079 63.079 64.018 -0.939 18219 8470 1 17 . 1 1 39 39 ILE CB C 30 36.973 36.973 37.006 -0.033 18219 8471 1 17 . 1 1 39 39 ILE H H 30 7.662 7.662 8.342 -0.680 18219 8472 1 17 . 1 1 40 40 ALA N N 31 122.447 122.447 121.434 1.013 18219 8473 1 17 . 1 1 40 40 ALA HA H 31 4.034 4.034 4.054 -0.020 18219 8474 1 17 . 1 1 40 40 ALA C C 31 177.067 177.067 179.692 -2.625 18219 8475 1 17 . 1 1 40 40 ALA CA C 31 55.962 55.962 55.282 0.680 18219 8476 1 17 . 1 1 40 40 ALA CB C 31 17.856 17.856 18.140 -0.284 18219 8477 1 17 . 1 1 40 40 ALA H H 31 8.096 8.096 7.320 0.776 18219 8478 1 17 . 1 1 41 41 GLY N N 32 104.056 104.056 107.571 -3.515 18219 8479 1 17 . 1 1 41 41 GLY C C 32 174.251 174.251 175.973 -1.722 18219 8480 1 17 . 1 1 41 41 GLY CA C 32 46.500 46.500 46.936 -0.436 18219 8481 1 17 . 1 1 41 41 GLY H H 32 8.123 8.123 8.206 -0.083 18219 8482 1 17 . 1 1 42 42 LEU N N 33 123.250 123.250 123.331 -0.081 18219 8483 1 17 . 1 1 42 42 LEU HA H 33 3.857 3.857 3.966 -0.109 18219 8484 1 17 . 1 1 42 42 LEU C C 33 176.033 176.033 178.337 -2.304 18219 8485 1 17 . 1 1 42 42 LEU CA C 33 56.668 56.668 58.198 -1.530 18219 8486 1 17 . 1 1 42 42 LEU CB C 33 41.721 41.721 41.846 -0.125 18219 8487 1 17 . 1 1 42 42 LEU H H 33 7.914 7.914 8.357 -0.443 18219 8488 1 17 . 1 1 43 43 PHE N N 34 119.757 119.757 118.650 1.107 18219 8489 1 17 . 1 1 43 43 PHE HA H 34 4.200 4.200 4.015 0.185 18219 8490 1 17 . 1 1 43 43 PHE C C 34 174.374 174.374 177.540 -3.166 18219 8491 1 17 . 1 1 43 43 PHE CA C 34 59.876 59.876 61.920 -2.044 18219 8492 1 17 . 1 1 43 43 PHE CB C 34 38.834 38.834 38.950 -0.117 18219 8493 1 17 . 1 1 43 43 PHE H H 34 8.287 8.287 8.071 0.216 18219 8494 1 17 . 1 1 44 44 VAL N N 35 117.791 117.791 118.063 -0.272 18219 8495 1 17 . 1 1 44 44 VAL HA H 35 3.610 3.610 3.722 -0.112 18219 8496 1 17 . 1 1 44 44 VAL C C 35 176.205 176.205 178.644 -2.439 18219 8497 1 17 . 1 1 44 44 VAL CA C 35 64.559 64.559 66.857 -2.298 18219 8498 1 17 . 1 1 44 44 VAL CB C 35 31.432 31.432 31.024 0.408 18219 8499 1 17 . 1 1 44 44 VAL H H 35 8.235 8.235 8.415 -0.180 18219 8500 1 17 . 1 1 45 45 GLY N N 36 108.551 108.551 107.461 1.090 18219 8501 1 17 . 1 1 45 45 GLY C C 36 173.749 173.749 175.760 -2.011 18219 8502 1 17 . 1 1 45 45 GLY CA C 36 46.083 46.083 47.124 -1.041 18219 8503 1 17 . 1 1 45 45 GLY H H 36 8.178 8.178 8.563 -0.385 18219 8504 1 17 . 1 1 46 46 CYS N N 37 121.173 121.173 122.400 -1.227 18219 8505 1 17 . 1 1 46 46 CYS HA H 37 4.180 4.180 4.173 0.007 18219 8506 1 17 . 1 1 46 46 CYS C C 37 173.710 173.710 176.506 -2.796 18219 8507 1 17 . 1 1 46 46 CYS CA C 37 63.000 63.000 63.468 -0.468 18219 8508 1 17 . 1 1 46 46 CYS CB C 37 60.283 60.283 27.698 32.585 18219 8509 1 17 . 1 1 46 46 CYS H H 37 8.253 8.253 8.146 0.107 18219 8510 1 17 . 1 1 47 47 LEU N N 38 120.283 120.283 120.553 -0.270 18219 8511 1 17 . 1 1 47 47 LEU HA H 38 4.060 4.060 4.094 -0.034 18219 8512 1 17 . 1 1 47 47 LEU C C 38 176.679 176.679 178.206 -1.527 18219 8513 1 17 . 1 1 47 47 LEU CA C 38 56.027 56.027 57.999 -1.972 18219 8514 1 17 . 1 1 47 47 LEU CB C 38 41.464 41.464 40.809 0.655 18219 8515 1 17 . 1 1 47 47 LEU H H 38 7.965 7.965 8.284 -0.319 18219 8516 1 17 . 1 1 48 48 ALA N N 39 122.249 122.249 122.745 -0.496 18219 8517 1 17 . 1 1 48 48 ALA HA H 39 4.142 4.142 4.009 0.133 18219 8518 1 17 . 1 1 48 48 ALA C C 39 177.915 177.915 179.326 -1.411 18219 8519 1 17 . 1 1 48 48 ALA CA C 39 53.717 53.717 55.447 -1.730 18219 8520 1 17 . 1 1 48 48 ALA CB C 39 17.985 17.985 18.121 -0.136 18219 8521 1 17 . 1 1 48 48 ALA H H 39 8.066 8.066 8.071 -0.005 18219 8522 1 17 . 1 1 49 49 GLY N N 40 107.377 107.377 107.047 0.330 18219 8523 1 17 . 1 1 49 49 GLY C C 40 172.527 172.527 175.967 -3.440 18219 8524 1 17 . 1 1 49 49 GLY CA C 40 45.450 45.450 46.854 -1.404 18219 8525 1 17 . 1 1 49 49 GLY H H 40 8.172 8.172 8.295 -0.123 18219 8526 1 17 . 1 1 50 50 TYR N N 41 122.409 122.409 122.938 -0.529 18219 8527 1 17 . 1 1 50 50 TYR HA H 41 3.799 3.799 4.247 -0.448 18219 8528 1 17 . 1 1 50 50 TYR C C 41 174.208 174.208 177.422 -3.214 18219 8529 1 17 . 1 1 50 50 TYR CA C 41 59.245 59.245 60.426 -1.181 18219 8530 1 17 . 1 1 50 50 TYR CB C 41 37.936 37.936 38.609 -0.673 18219 8531 1 17 . 1 1 50 50 TYR H H 41 7.800 7.800 8.448 -0.648 18219 8532 1 17 . 1 1 51 51 GLY N N 42 106.935 106.935 107.648 -0.713 18219 8533 1 17 . 1 1 51 51 GLY C C 42 172.642 172.642 175.245 -2.603 18219 8534 1 17 . 1 1 51 51 GLY CA C 42 46.265 46.265 45.658 0.607 18219 8535 1 17 . 1 1 51 51 GLY H H 42 8.199 8.199 7.823 0.376 18219 8536 1 17 . 1 1 52 52 ALA N N 43 123.018 123.018 123.991 -0.973 18219 8537 1 17 . 1 1 52 52 ALA HA H 43 4.150 4.150 4.055 0.095 18219 8538 1 17 . 1 1 52 52 ALA C C 43 176.398 176.398 178.624 -2.226 18219 8539 1 17 . 1 1 52 52 ALA CA C 43 52.883 52.883 53.989 -1.106 18219 8540 1 17 . 1 1 52 52 ALA CB C 43 18.241 18.241 19.285 -1.044 18219 8541 1 17 . 1 1 52 52 ALA H H 43 7.758 7.758 7.984 -0.226 18219 8542 1 17 . 1 1 53 53 TYR N N 44 119.664 119.664 115.988 3.676 18219 8543 1 17 . 1 1 53 53 TYR HA H 44 4.318 4.318 4.066 0.252 18219 8544 1 17 . 1 1 53 53 TYR C C 44 174.180 174.180 176.604 -2.424 18219 8545 1 17 . 1 1 53 53 TYR CA C 44 58.593 58.593 61.805 -3.212 18219 8546 1 17 . 1 1 53 53 TYR CB C 44 38.192 38.192 37.291 0.901 18219 8547 1 17 . 1 1 53 53 TYR H H 44 7.920 7.920 8.429 -0.509 18219 8548 1 17 . 1 1 54 54 ARG N N 45 119.516 119.516 118.682 0.834 18219 8549 1 17 . 1 1 54 54 ARG HA H 45 3.930 3.930 4.507 -0.577 18219 8550 1 17 . 1 1 54 54 ARG C C 45 174.423 174.423 175.835 -1.412 18219 8551 1 17 . 1 1 54 54 ARG CA C 45 56.027 56.027 55.644 0.383 18219 8552 1 17 . 1 1 54 54 ARG CB C 45 30.173 30.173 31.753 -1.579 18219 8553 1 17 . 1 1 54 54 ARG H H 45 7.956 7.956 8.588 -0.632 18219 8554 1 17 . 1 1 55 55 VAL N N 46 116.437 116.437 116.046 0.391 18219 8555 1 17 . 1 1 55 55 VAL HA H 46 4.060 4.060 3.678 0.382 18219 8556 1 17 . 1 1 55 55 VAL C C 46 173.806 173.806 174.255 -0.449 18219 8557 1 17 . 1 1 55 55 VAL CA C 46 62.300 62.300 63.284 -0.984 18219 8558 1 17 . 1 1 55 55 VAL CB C 46 31.521 31.521 31.518 0.003 18219 8559 1 17 . 1 1 55 55 VAL H H 46 7.489 7.489 7.323 0.166 18219 8560 1 17 . 1 1 56 56 SER N N 47 117.185 117.185 113.290 3.895 18219 8561 1 17 . 1 1 56 56 SER HA H 47 4.401 4.401 4.405 -0.004 18219 8562 1 17 . 1 1 56 56 SER C C 47 172.074 172.074 174.879 -2.805 18219 8563 1 17 . 1 1 56 56 SER CA C 47 58.133 58.133 59.491 -1.358 18219 8564 1 17 . 1 1 56 56 SER CB C 47 63.468 63.468 64.375 -0.907 18219 8565 1 17 . 1 1 56 56 SER H H 47 7.728 7.728 7.809 -0.081 18219 8566 1 17 . 1 1 57 57 ASN N N 48 121.049 121.049 118.821 2.228 18219 8567 1 17 . 1 1 57 57 ASN HA H 48 4.590 4.590 4.387 0.203 18219 8568 1 17 . 1 1 57 57 ASN CA C 48 53.600 53.600 55.674 -2.074 18219 8569 1 17 . 1 1 57 57 ASN CB C 48 38.641 38.641 37.406 1.235 18219 8570 1 17 . 1 1 57 57 ASN H H 48 8.228 8.228 8.790 -0.562 18219 8571 1 17 . 1 1 58 58 ASP N N 49 120.276 120.276 121.646 -1.370 18219 8572 1 17 . 1 1 58 58 ASP HA H 49 4.530 4.530 4.468 0.062 18219 8573 1 17 . 1 1 58 58 ASP CA C 49 54.202 54.202 54.948 -0.746 18219 8574 1 17 . 1 1 58 58 ASP CB C 49 40.374 40.374 41.275 -0.901 18219 8575 1 17 . 1 1 58 58 ASP H H 49 8.192 8.192 8.560 -0.368 18219 8576 1 17 . 1 1 59 59 LYS N N 50 120.660 120.660 115.294 5.366 18219 8577 1 17 . 1 1 59 59 LYS HA H 50 4.200 4.200 3.823 0.377 18219 8578 1 17 . 1 1 59 59 LYS C C 50 173.474 173.474 175.802 -2.328 18219 8579 1 17 . 1 1 59 59 LYS CA C 50 56.300 56.300 58.413 -2.112 18219 8580 1 17 . 1 1 59 59 LYS CB C 50 32.034 32.034 30.581 1.452 18219 8581 1 17 . 1 1 59 59 LYS H H 50 8.003 8.003 7.970 0.033 18219 8582 1 17 . 1 1 60 60 ARG N N 51 121.278 121.278 120.136 1.142 18219 8583 1 17 . 1 1 60 60 ARG HA H 51 4.200 4.200 4.151 0.049 18219 8584 1 17 . 1 1 60 60 ARG C C 51 173.303 173.303 175.936 -2.633 18219 8585 1 17 . 1 1 60 60 ARG CA C 51 56.283 56.283 57.162 -0.879 18219 8586 1 17 . 1 1 60 60 ARG CB C 51 30.238 30.238 30.642 -0.404 18219 8587 1 17 . 1 1 60 60 ARG H H 51 8.091 8.091 8.323 -0.232 18219 8588 1 17 . 1 1 61 61 ASP N N 52 121.185 121.185 119.458 1.727 18219 8589 1 17 . 1 1 61 61 ASP HA H 52 4.615 4.615 4.698 -0.083 18219 8590 1 17 . 1 1 61 61 ASP C C 52 173.777 173.777 177.735 -3.958 18219 8591 1 17 . 1 1 61 61 ASP CA C 52 53.979 53.979 56.278 -2.299 18219 8592 1 17 . 1 1 61 61 ASP CB C 52 40.245 40.245 41.604 -1.359 18219 8593 1 17 . 1 1 61 61 ASP H H 52 8.261 8.261 8.511 -0.250 18219 8594 1 17 . 1 1 62 62 VAL N N 53 121.902 121.902 120.817 1.085 18219 8595 1 17 . 1 1 62 62 VAL HA H 53 3.950 3.950 3.866 0.084 18219 8596 1 17 . 1 1 62 62 VAL C C 53 173.279 173.279 177.505 -4.226 18219 8597 1 17 . 1 1 62 62 VAL CA C 53 63.176 63.176 65.416 -2.240 18219 8598 1 17 . 1 1 62 62 VAL CB C 53 32.099 32.099 31.317 0.782 18219 8599 1 17 . 1 1 62 62 VAL H H 53 7.997 7.997 8.136 -0.139 18219 8600 1 17 . 1 1 63 63 LYS N N 54 123.522 123.522 121.053 2.469 18219 8601 1 17 . 1 1 63 63 LYS HA H 54 4.260 4.260 4.137 0.123 18219 8602 1 17 . 1 1 63 63 LYS C C 54 174.481 174.481 178.522 -4.041 18219 8603 1 17 . 1 1 63 63 LYS CA C 54 56.347 56.347 59.562 -3.215 18219 8604 1 17 . 1 1 63 63 LYS CB C 54 32.099 32.099 32.207 -0.108 18219 8605 1 17 . 1 1 63 63 LYS H H 54 8.054 8.054 8.388 -0.334 18219 8606 1 17 . 1 1 64 64 VAL N N 55 120.647 120.647 119.735 0.912 18219 8607 1 17 . 1 1 64 64 VAL HA H 55 3.947 3.947 3.819 0.128 18219 8608 1 17 . 1 1 64 64 VAL C C 55 174.955 174.955 177.832 -2.877 18219 8609 1 17 . 1 1 64 64 VAL CA C 55 64.600 64.600 64.519 0.081 18219 8610 1 17 . 1 1 64 64 VAL CB C 55 31.877 31.877 30.886 0.991 18219 8611 1 17 . 1 1 64 64 VAL H H 55 8.225 8.225 7.581 0.644 18219 8612 1 17 . 1 1 65 65 SER N N 56 117.785 117.785 116.380 1.405 18219 8613 1 17 . 1 1 65 65 SER HA H 56 4.390 4.390 4.133 0.257 18219 8614 1 17 . 1 1 65 65 SER C C 56 172.300 172.300 176.428 -4.128 18219 8615 1 17 . 1 1 65 65 SER CA C 56 60.000 60.000 62.233 -2.232 18219 8616 1 17 . 1 1 65 65 SER CB C 56 62.879 62.879 63.056 -0.177 18219 8617 1 17 . 1 1 65 65 SER H H 56 8.260 8.260 7.713 0.547 18219 8618 1 17 . 1 1 66 66 LEU N N 57 123.318 123.318 122.395 0.923 18219 8619 1 17 . 1 1 66 66 LEU HA H 57 4.090 4.090 4.234 -0.144 18219 8620 1 17 . 1 1 66 66 LEU C C 57 175.932 175.932 178.346 -2.414 18219 8621 1 17 . 1 1 66 66 LEU CA C 57 57.502 57.502 57.863 -0.361 18219 8622 1 17 . 1 1 66 66 LEU CB C 57 41.721 41.721 41.034 0.687 18219 8623 1 17 . 1 1 66 66 LEU H H 57 8.091 8.091 8.156 -0.065 18219 8624 1 17 . 1 1 67 67 PHE N N 58 118.020 118.020 119.175 -1.155 18219 8625 1 17 . 1 1 67 67 PHE HA H 58 4.330 4.330 4.023 0.307 18219 8626 1 17 . 1 1 67 67 PHE C C 58 174.912 174.912 177.801 -2.889 18219 8627 1 17 . 1 1 67 67 PHE CA C 58 60.600 60.600 61.719 -1.119 18219 8628 1 17 . 1 1 67 67 PHE CB C 58 38.552 38.552 38.742 -0.190 18219 8629 1 17 . 1 1 67 67 PHE H H 58 8.066 8.066 8.500 -0.434 18219 8630 1 17 . 1 1 68 68 THR N N 59 115.324 115.324 115.968 -0.644 18219 8631 1 17 . 1 1 68 68 THR HA H 59 4.310 4.310 4.084 0.226 18219 8632 1 17 . 1 1 68 68 THR C C 59 173.380 173.380 176.375 -2.995 18219 8633 1 17 . 1 1 68 68 THR CA C 59 66.313 66.313 67.564 -1.251 18219 8634 1 17 . 1 1 68 68 THR CB C 59 67.700 67.700 69.021 -1.321 18219 8635 1 17 . 1 1 68 68 THR H H 59 8.287 8.287 8.471 -0.184 18219 8636 1 17 . 1 1 69 69 ALA N N 60 123.621 123.621 124.810 -1.189 18219 8637 1 17 . 1 1 69 69 ALA HA H 60 4.280 4.280 4.122 0.158 18219 8638 1 17 . 1 1 69 69 ALA C C 60 176.978 176.978 179.982 -3.004 18219 8639 1 17 . 1 1 69 69 ALA CA C 60 55.100 55.100 55.227 -0.127 18219 8640 1 17 . 1 1 69 69 ALA CB C 60 17.728 17.728 18.246 -0.518 18219 8641 1 17 . 1 1 69 69 ALA H H 60 7.983 7.983 8.159 -0.176 18219 8642 1 17 . 1 1 70 70 PHE N N 61 118.520 118.520 118.120 0.400 18219 8643 1 17 . 1 1 70 70 PHE HA H 61 4.260 4.260 4.233 0.027 18219 8644 1 17 . 1 1 70 70 PHE C C 61 175.369 175.369 177.385 -2.016 18219 8645 1 17 . 1 1 70 70 PHE CA C 61 60.179 60.179 62.017 -1.838 18219 8646 1 17 . 1 1 70 70 PHE CB C 61 38.706 38.706 39.311 -0.605 18219 8647 1 17 . 1 1 70 70 PHE H H 61 8.007 8.007 8.920 -0.913 18219 8648 1 17 . 1 1 71 71 PHE N N 62 122.314 122.314 120.287 2.027 18219 8649 1 17 . 1 1 71 71 PHE HA H 62 4.000 4.000 4.108 -0.108 18219 8650 1 17 . 1 1 71 71 PHE C C 62 174.697 174.697 177.707 -3.010 18219 8651 1 17 . 1 1 71 71 PHE CA C 62 60.517 60.517 62.499 -1.982 18219 8652 1 17 . 1 1 71 71 PHE CB C 62 38.770 38.770 38.898 -0.128 18219 8653 1 17 . 1 1 71 71 PHE H H 62 8.546 8.546 8.212 0.334 18219 8654 1 17 . 1 1 72 72 LEU N N 63 119.399 119.399 119.652 -0.253 18219 8655 1 17 . 1 1 72 72 LEU HA H 63 3.870 3.870 3.956 -0.086 18219 8656 1 17 . 1 1 72 72 LEU C C 63 175.774 175.774 178.652 -2.878 18219 8657 1 17 . 1 1 72 72 LEU CA C 63 56.925 56.925 58.452 -1.526 18219 8658 1 17 . 1 1 72 72 LEU CB C 63 41.207 41.207 41.584 -0.377 18219 8659 1 17 . 1 1 72 72 LEU H H 63 8.396 8.396 8.848 -0.452 18219 8660 1 17 . 1 1 73 73 ALA N N 64 120.221 120.221 121.021 -0.800 18219 8661 1 17 . 1 1 73 73 ALA HA H 64 3.960 3.960 3.912 0.048 18219 8662 1 17 . 1 1 73 73 ALA C C 64 177.267 177.267 179.599 -2.332 18219 8663 1 17 . 1 1 73 73 ALA CA C 64 54.600 54.600 55.480 -0.880 18219 8664 1 17 . 1 1 73 73 ALA CB C 64 17.784 17.784 17.905 -0.121 18219 8665 1 17 . 1 1 73 73 ALA H H 64 8.025 8.025 8.059 -0.034 18219 8666 1 17 . 1 1 74 74 THR N N 65 113.648 113.648 113.072 0.576 18219 8667 1 17 . 1 1 74 74 THR HA H 65 3.980 3.980 3.949 0.031 18219 8668 1 17 . 1 1 74 74 THR CA C 65 66.291 66.291 64.941 1.350 18219 8669 1 17 . 1 1 74 74 THR CB C 65 67.914 67.914 68.565 -0.651 18219 8670 1 17 . 1 1 74 74 THR H H 65 7.717 7.717 7.677 0.040 18219 8671 1 17 . 1 1 75 75 ILE N N 66 120.291 120.291 120.567 -0.276 18219 8672 1 17 . 1 1 75 75 ILE HA H 66 3.740 3.740 3.726 0.014 18219 8673 1 17 . 1 1 75 75 ILE C C 66 174.951 174.951 177.380 -2.429 18219 8674 1 17 . 1 1 75 75 ILE CA C 66 64.880 64.880 63.676 1.204 18219 8675 1 17 . 1 1 75 75 ILE CB C 66 37.166 37.166 38.311 -1.145 18219 8676 1 17 . 1 1 75 75 ILE H H 66 7.738 7.738 7.946 -0.208 18219 8677 1 17 . 1 1 76 76 MET N N 67 117.618 117.618 117.762 -0.144 18219 8678 1 17 . 1 1 76 76 MET HA H 67 4.220 4.220 4.257 -0.037 18219 8679 1 17 . 1 1 76 76 MET C C 67 175.142 175.142 177.120 -1.978 18219 8680 1 17 . 1 1 76 76 MET CA C 67 56.723 56.723 57.998 -1.275 18219 8681 1 17 . 1 1 76 76 MET CB C 67 31.951 31.951 33.456 -1.505 18219 8682 1 17 . 1 1 76 76 MET H H 67 7.823 7.823 8.316 -0.493 18219 8683 1 17 . 1 1 77 77 GLY N N 68 107.110 107.110 103.589 3.521 18219 8684 1 17 . 1 1 77 77 GLY C C 68 172.260 172.260 174.338 -2.078 18219 8685 1 17 . 1 1 77 77 GLY CA C 68 45.800 45.800 44.807 0.993 18219 8686 1 17 . 1 1 77 77 GLY H H 68 7.937 7.937 8.055 -0.118 18219 8687 1 17 . 1 1 78 78 VAL N N 69 120.431 120.431 120.246 0.185 18219 8688 1 17 . 1 1 78 78 VAL HA H 69 4.220 4.220 3.764 0.456 18219 8689 1 17 . 1 1 78 78 VAL CA C 69 63.900 63.900 64.984 -1.084 18219 8690 1 17 . 1 1 78 78 VAL CB C 69 31.506 31.506 31.970 -0.464 18219 8691 1 17 . 1 1 78 78 VAL H H 69 7.697 7.697 7.317 0.380 18219 8692 1 17 . 1 1 79 79 ARG N N 70 121.420 121.420 118.269 3.151 18219 8693 1 17 . 1 1 79 79 ARG HA H 70 3.810 3.810 4.092 -0.282 18219 8694 1 17 . 1 1 79 79 ARG CA C 70 56.400 56.400 58.068 -1.668 18219 8695 1 17 . 1 1 79 79 ARG CB C 70 30.097 30.097 30.615 -0.518 18219 8696 1 17 . 1 1 79 79 ARG H H 70 7.889 7.889 7.874 0.015 18219 8697 1 17 . 1 1 80 80 PHE N N 71 119.949 119.949 120.192 -0.243 18219 8698 1 17 . 1 1 80 80 PHE HA H 71 4.510 4.510 4.416 0.094 18219 8699 1 17 . 1 1 80 80 PHE CA C 71 58.600 58.600 58.857 -0.257 18219 8700 1 17 . 1 1 80 80 PHE CB C 71 39.145 39.145 38.906 0.239 18219 8701 1 17 . 1 1 80 80 PHE H H 71 8.101 8.101 8.216 -0.115 18219 8702 1 17 . 1 1 81 81 LYS N N 72 122.193 122.193 125.160 -2.967 18219 8703 1 17 . 1 1 81 81 LYS CA C 72 56.800 56.800 55.827 0.973 18219 8704 1 17 . 1 1 81 81 LYS CB C 72 32.322 32.322 35.083 -2.761 18219 8705 1 17 . 1 1 81 81 LYS H H 72 8.090 8.090 7.896 0.194 18219 8706 1 17 . 1 1 82 82 ARG N N 73 119.650 119.650 121.985 -2.335 18219 8707 1 17 . 1 1 82 82 ARG CA C 73 56.089 56.089 55.502 0.587 18219 8708 1 17 . 1 1 82 82 ARG CB C 73 30.171 30.171 30.050 0.121 18219 8709 1 17 . 1 1 82 82 ARG H H 73 8.052 8.052 8.528 -0.476 18219 8710 1 17 . 1 1 83 83 SER N N 74 115.734 115.734 117.288 -1.554 18219 8711 1 17 . 1 1 83 83 SER CA C 74 58.355 58.355 58.484 -0.129 18219 8712 1 17 . 1 1 83 83 SER CB C 74 63.404 63.404 63.181 0.223 18219 8713 1 17 . 1 1 83 83 SER H H 74 7.912 7.912 8.646 -0.734 18219 8714 1 17 . 1 1 84 84 LYS N N 75 122.370 122.370 124.440 -2.070 18219 8715 1 17 . 1 1 84 84 LYS CA C 75 56.135 56.135 57.004 -0.869 18219 8716 1 17 . 1 1 84 84 LYS CB C 75 32.175 32.175 33.560 -1.385 18219 8717 1 17 . 1 1 84 84 LYS H H 75 8.067 8.067 8.197 -0.130 18219 8718 1 17 . 1 1 86 86 ILE N N 77 119.592 119.592 117.144 2.448 18219 8719 1 17 . 1 1 86 86 ILE HA H 77 3.810 3.810 4.087 -0.277 18219 8720 1 17 . 1 1 86 86 ILE CA C 77 64.900 64.900 62.707 2.193 18219 8721 1 17 . 1 1 86 86 ILE CB C 77 39.145 39.145 38.688 0.457 18219 8722 1 17 . 1 1 86 86 ILE H H 77 7.837 7.837 7.725 0.112 18219 8723 1 17 . 1 1 87 87 MET N N 78 121.645 121.645 117.375 4.270 18219 8724 1 17 . 1 1 87 87 MET CA C 78 52.982 52.982 59.100 -6.118 18219 8725 1 17 . 1 1 87 87 MET CB C 78 32.173 32.173 31.718 0.455 18219 8726 1 17 . 1 1 87 87 MET H H 78 7.950 7.950 7.957 -0.007 18219 8727 1 17 . 1 1 88 88 PRO HA H 79 4.140 4.140 4.392 -0.252 18219 8728 1 17 . 1 1 88 88 PRO C C 79 173.921 173.921 177.018 -3.097 18219 8729 1 17 . 1 1 88 88 PRO CA C 79 62.800 62.800 63.336 -0.536 18219 8730 1 17 . 1 1 88 88 PRO CB C 79 31.136 31.136 31.935 -0.799 18219 8731 1 17 . 1 1 89 89 ALA N N 80 124.431 124.431 118.881 5.550 18219 8732 1 17 . 1 1 89 89 ALA HA H 80 4.400 4.400 4.077 0.323 18219 8733 1 17 . 1 1 89 89 ALA C C 80 176.234 176.234 179.607 -3.373 18219 8734 1 17 . 1 1 89 89 ALA CA C 80 53.300 53.300 54.422 -1.122 18219 8735 1 17 . 1 1 89 89 ALA CB C 80 18.498 18.498 17.280 1.218 18219 8736 1 17 . 1 1 89 89 ALA H H 80 8.320 8.320 8.579 -0.259 18219 8737 1 17 . 1 1 90 90 GLY N N 81 106.834 106.834 107.094 -0.260 18219 8738 1 17 . 1 1 90 90 GLY C C 81 172.398 172.398 176.043 -3.645 18219 8739 1 17 . 1 1 90 90 GLY CA C 81 45.600 45.600 47.036 -1.436 18219 8740 1 17 . 1 1 90 90 GLY H H 81 8.458 8.458 8.158 0.300 18219 8741 1 17 . 1 1 91 91 LEU N N 82 121.043 121.043 120.876 0.167 18219 8742 1 17 . 1 1 91 91 LEU HA H 82 4.200 4.200 4.093 0.106 18219 8743 1 17 . 1 1 91 91 LEU C C 82 174.783 174.783 178.697 -3.914 18219 8744 1 17 . 1 1 91 91 LEU CA C 82 56.300 56.300 58.220 -1.920 18219 8745 1 17 . 1 1 91 91 LEU CB C 82 42.106 42.106 41.059 1.047 18219 8746 1 17 . 1 1 91 91 LEU H H 82 7.687 7.687 7.959 -0.272 18219 8747 1 17 . 1 1 92 92 VAL N N 83 114.737 114.737 116.827 -2.090 18219 8748 1 17 . 1 1 92 92 VAL HA H 83 3.980 3.980 3.698 0.282 18219 8749 1 17 . 1 1 92 92 VAL C C 83 173.634 173.634 177.969 -4.335 18219 8750 1 17 . 1 1 92 92 VAL CA C 83 62.400 62.400 64.986 -2.586 18219 8751 1 17 . 1 1 92 92 VAL CB C 83 31.585 31.585 29.990 1.595 18219 8752 1 17 . 1 1 92 92 VAL H H 83 7.602 7.602 7.965 -0.363 18219 8753 1 17 . 1 1 93 93 ALA N N 84 124.320 124.320 121.619 2.701 18219 8754 1 17 . 1 1 93 93 ALA HA H 84 4.150 4.150 4.095 0.055 18219 8755 1 17 . 1 1 93 93 ALA C C 84 175.746 175.746 179.805 -4.059 18219 8756 1 17 . 1 1 93 93 ALA CA C 84 53.300 53.300 55.362 -2.062 18219 8757 1 17 . 1 1 93 93 ALA CB C 84 18.241 18.241 17.980 0.261 18219 8758 1 17 . 1 1 93 93 ALA H H 84 7.891 7.891 8.431 -0.540 18219 8759 1 17 . 1 1 94 94 GLY N N 85 106.807 106.807 107.595 -0.788 18219 8760 1 17 . 1 1 94 94 GLY C C 85 171.752 171.752 175.993 -4.241 18219 8761 1 17 . 1 1 94 94 GLY CA C 85 45.249 45.249 46.609 -1.360 18219 8762 1 17 . 1 1 94 94 GLY H H 85 8.204 8.204 8.165 0.039 18219 8763 1 17 . 1 1 95 95 LEU N N 86 121.266 121.266 122.273 -1.007 18219 8764 1 17 . 1 1 95 95 LEU HA H 86 4.380 4.380 4.187 0.193 18219 8765 1 17 . 1 1 95 95 LEU C C 86 173.702 173.702 179.626 -5.924 18219 8766 1 17 . 1 1 95 95 LEU CA C 86 55.000 55.000 57.596 -2.596 18219 8767 1 17 . 1 1 95 95 LEU CB C 86 42.298 42.298 41.322 0.976 18219 8768 1 17 . 1 1 95 95 LEU H H 86 7.718 7.718 8.045 -0.327 18219 8769 1 17 . 1 1 96 96 SER N N 87 115.658 115.658 115.888 -0.230 18219 8770 1 17 . 1 1 96 96 SER HA H 87 4.370 4.370 4.187 0.183 18219 8771 1 17 . 1 1 96 96 SER C C 87 172.479 172.479 176.748 -4.269 18219 8772 1 17 . 1 1 96 96 SER CA C 87 57.200 57.200 61.693 -4.493 18219 8773 1 17 . 1 1 96 96 SER CB C 87 64.174 64.174 62.733 1.441 18219 8774 1 17 . 1 1 96 96 SER H H 87 7.659 7.659 8.294 -0.635 18219 8775 1 17 . 1 1 97 97 LEU N N 88 123.720 123.720 122.573 1.147 18219 8776 1 17 . 1 1 97 97 LEU HA H 88 4.600 4.600 4.020 0.580 18219 8777 1 17 . 1 1 97 97 LEU C C 88 175.932 175.932 178.675 -2.743 18219 8778 1 17 . 1 1 97 97 LEU CA C 88 57.600 57.600 57.677 -0.077 18219 8779 1 17 . 1 1 97 97 LEU CB C 88 41.400 41.400 41.980 -0.580 18219 8780 1 17 . 1 1 97 97 LEU H H 88 8.733 8.733 8.035 0.698 18219 8781 1 17 . 1 1 98 98 MET N N 89 116.684 116.684 119.894 -3.210 18219 8782 1 17 . 1 1 98 98 MET HA H 89 4.280 4.280 4.119 0.161 18219 8783 1 17 . 1 1 98 98 MET C C 89 175.789 175.789 178.055 -2.266 18219 8784 1 17 . 1 1 98 98 MET CA C 89 56.915 56.915 58.837 -1.921 18219 8785 1 17 . 1 1 98 98 MET CB C 89 31.007 31.007 32.672 -1.665 18219 8786 1 17 . 1 1 98 98 MET H H 89 8.342 8.342 8.139 0.203 18219 8787 1 17 . 1 1 99 99 MET N N 90 119.182 119.182 117.955 1.227 18219 8788 1 17 . 1 1 99 99 MET HA H 90 4.110 4.110 4.101 0.009 18219 8789 1 17 . 1 1 99 99 MET C C 90 175.588 175.588 178.803 -3.215 18219 8790 1 17 . 1 1 99 99 MET CA C 90 57.951 57.951 58.898 -0.947 18219 8791 1 17 . 1 1 99 99 MET CB C 90 32.226 32.226 31.957 0.269 18219 8792 1 17 . 1 1 99 99 MET H H 90 7.720 7.720 8.175 -0.455 18219 8793 1 17 . 1 1 100 100 ILE N N 91 119.077 119.077 120.599 -1.522 18219 8794 1 17 . 1 1 100 100 ILE HA H 91 4.110 4.110 3.789 0.321 18219 8795 1 17 . 1 1 100 100 ILE C C 91 174.634 174.634 177.753 -3.119 18219 8796 1 17 . 1 1 100 100 ILE CA C 91 64.100 64.100 64.963 -0.863 18219 8797 1 17 . 1 1 100 100 ILE CB C 91 37.143 37.143 38.028 -0.885 18219 8798 1 17 . 1 1 100 100 ILE H H 91 7.662 7.662 8.299 -0.637 18219 8799 1 17 . 1 1 101 101 LEU N N 92 119.646 119.646 121.065 -1.419 18219 8800 1 17 . 1 1 101 101 LEU HA H 92 4.530 4.530 3.931 0.599 18219 8801 1 17 . 1 1 101 101 LEU C C 92 175.430 175.430 178.674 -3.244 18219 8802 1 17 . 1 1 101 101 LEU CA C 92 57.800 57.800 58.149 -0.349 18219 8803 1 17 . 1 1 101 101 LEU CB C 92 40.758 40.758 41.734 -0.976 18219 8804 1 17 . 1 1 101 101 LEU H H 92 8.142 8.142 7.833 0.309 18219 8805 1 17 . 1 1 102 102 ARG N N 93 116.394 116.394 118.964 -2.570 18219 8806 1 17 . 1 1 102 102 ARG HA H 93 4.140 4.140 4.192 -0.052 18219 8807 1 17 . 1 1 102 102 ARG C C 93 175.961 175.961 178.759 -2.798 18219 8808 1 17 . 1 1 102 102 ARG CA C 93 59.100 59.100 58.296 0.804 18219 8809 1 17 . 1 1 102 102 ARG CB C 93 29.404 29.404 30.056 -0.652 18219 8810 1 17 . 1 1 102 102 ARG H H 93 7.893 7.893 8.149 -0.256 18219 8811 1 17 . 1 1 103 103 LEU N N 94 119.114 119.114 121.039 -1.925 18219 8812 1 17 . 1 1 103 103 LEU HA H 94 4.110 4.110 4.115 -0.005 18219 8813 1 17 . 1 1 103 103 LEU C C 94 175.889 175.889 178.330 -2.441 18219 8814 1 17 . 1 1 103 103 LEU CA C 94 57.300 57.300 57.853 -0.553 18219 8815 1 17 . 1 1 103 103 LEU CB C 94 41.296 41.296 41.973 -0.677 18219 8816 1 17 . 1 1 103 103 LEU H H 94 7.622 7.622 7.875 -0.253 18219 8817 1 17 . 1 1 104 104 VAL N N 95 117.704 117.704 119.707 -2.003 18219 8818 1 17 . 1 1 104 104 VAL HA H 95 3.530 3.530 3.764 -0.234 18219 8819 1 17 . 1 1 104 104 VAL C C 95 175.042 175.042 177.454 -2.412 18219 8820 1 17 . 1 1 104 104 VAL CA C 95 66.419 66.419 64.980 1.439 18219 8821 1 17 . 1 1 104 104 VAL CB C 95 31.357 31.357 31.829 -0.472 18219 8822 1 17 . 1 1 104 104 VAL H H 95 8.026 8.026 8.105 -0.079 18219 8823 1 17 . 1 1 105 105 LEU N N 96 117.185 117.185 118.400 -1.215 18219 8824 1 17 . 1 1 105 105 LEU HA H 96 3.980 3.980 4.148 -0.168 18219 8825 1 17 . 1 1 105 105 LEU C C 96 176.579 176.579 177.826 -1.247 18219 8826 1 17 . 1 1 105 105 LEU CA C 96 56.800 56.800 56.748 0.052 18219 8827 1 17 . 1 1 105 105 LEU CB C 96 40.951 40.951 42.457 -1.506 18219 8828 1 17 . 1 1 105 105 LEU H H 96 7.893 7.893 7.531 0.362 18219 8829 1 17 . 1 1 106 106 LEU N N 97 118.471 118.471 118.376 0.095 18219 8830 1 17 . 1 1 106 106 LEU HA H 97 4.180 4.180 3.964 0.216 18219 8831 1 17 . 1 1 106 106 LEU C C 97 175.802 175.802 176.009 -0.207 18219 8832 1 17 . 1 1 106 106 LEU CA C 97 56.300 56.300 55.126 1.174 18219 8833 1 17 . 1 1 106 106 LEU CB C 97 41.592 41.592 40.473 1.119 18219 8834 1 17 . 1 1 106 106 LEU H H 97 7.545 7.545 8.104 -0.559 18219 8835 1 17 . 1 1 107 107 LEU N N 98 118.162 118.162 113.838 4.324 18219 8836 1 17 . 1 1 107 107 LEU HA H 98 4.230 4.230 3.873 0.357 18219 8837 1 17 . 1 1 107 107 LEU C C 98 174.174 174.174 177.445 -3.271 18219 8838 1 17 . 1 1 107 107 LEU CA C 98 56.283 56.283 55.887 0.396 18219 8839 1 17 . 1 1 107 107 LEU CB C 98 42.362 42.362 39.766 2.596 18219 8840 1 17 . 1 1 107 107 LEU H H 98 7.688 7.688 8.221 -0.533 18219 8841 1 18 . 1 1 11 11 ASP N N 2 120.536 120.536 122.065 -1.529 18219 8842 1 18 . 1 1 11 11 ASP CA C 2 55.918 55.918 53.635 2.283 18219 8843 1 18 . 1 1 11 11 ASP CB C 2 37.959 37.959 43.357 -5.398 18219 8844 1 18 . 1 1 11 11 ASP H H 2 7.863 7.863 8.204 -0.341 18219 8845 1 18 . 1 1 12 12 LEU N N 3 121.414 121.414 122.347 -0.933 18219 8846 1 18 . 1 1 12 12 LEU C C 3 176.162 176.162 178.835 -2.673 18219 8847 1 18 . 1 1 12 12 LEU CA C 3 57.600 57.600 56.851 0.749 18219 8848 1 18 . 1 1 12 12 LEU CB C 3 41.657 41.657 42.334 -0.677 18219 8849 1 18 . 1 1 12 12 LEU H H 3 8.285 8.285 8.568 -0.283 18219 8850 1 18 . 1 1 13 13 ILE N N 4 118.854 118.854 117.243 1.611 18219 8851 1 18 . 1 1 13 13 ILE HA H 4 3.740 3.740 3.800 -0.060 18219 8852 1 18 . 1 1 13 13 ILE C C 4 175.228 175.228 178.130 -2.902 18219 8853 1 18 . 1 1 13 13 ILE CA C 4 64.500 64.500 63.431 1.069 18219 8854 1 18 . 1 1 13 13 ILE CB C 4 37.102 37.102 38.280 -1.178 18219 8855 1 18 . 1 1 13 13 ILE H H 4 8.031 8.031 8.072 -0.041 18219 8856 1 18 . 1 1 14 14 GLY N N 5 107.478 107.478 105.939 1.539 18219 8857 1 18 . 1 1 14 14 GLY C C 5 174.424 174.424 175.744 -1.320 18219 8858 1 18 . 1 1 14 14 GLY CA C 5 47.059 47.059 46.548 0.511 18219 8859 1 18 . 1 1 14 14 GLY H H 5 8.148 8.148 8.418 -0.270 18219 8860 1 18 . 1 1 15 15 PHE N N 6 122.774 122.774 123.719 -0.945 18219 8861 1 18 . 1 1 15 15 PHE HA H 6 4.480 4.480 4.350 0.130 18219 8862 1 18 . 1 1 15 15 PHE C C 6 175.113 175.113 176.953 -1.840 18219 8863 1 18 . 1 1 15 15 PHE CA C 6 60.017 60.017 61.596 -1.579 18219 8864 1 18 . 1 1 15 15 PHE CB C 6 38.774 38.774 38.395 0.379 18219 8865 1 18 . 1 1 15 15 PHE H H 6 8.194 8.194 7.900 0.294 18219 8866 1 18 . 1 1 16 16 GLY N N 7 107.938 107.938 106.680 1.258 18219 8867 1 18 . 1 1 16 16 GLY C C 7 171.838 171.838 175.748 -3.910 18219 8868 1 18 . 1 1 16 16 GLY CA C 7 47.100 47.100 47.653 -0.553 18219 8869 1 18 . 1 1 16 16 GLY H H 7 8.697 8.697 8.734 -0.037 18219 8870 1 18 . 1 1 17 17 TYR N N 8 121.785 121.785 123.459 -1.674 18219 8871 1 18 . 1 1 17 17 TYR HA H 8 4.150 4.150 4.148 0.002 18219 8872 1 18 . 1 1 17 17 TYR C C 8 174.180 174.180 177.674 -3.494 18219 8873 1 18 . 1 1 17 17 TYR CA C 8 61.300 61.300 61.294 0.006 18219 8874 1 18 . 1 1 17 17 TYR CB C 8 37.959 37.959 38.406 -0.447 18219 8875 1 18 . 1 1 17 17 TYR H H 8 8.710 8.710 8.258 0.452 18219 8876 1 18 . 1 1 18 18 ALA N N 9 120.233 120.233 120.892 -0.659 18219 8877 1 18 . 1 1 18 18 ALA HA H 9 3.950 3.950 3.988 -0.038 18219 8878 1 18 . 1 1 18 18 ALA C C 9 178.059 178.059 178.924 -0.865 18219 8879 1 18 . 1 1 18 18 ALA CA C 9 54.872 54.872 54.595 0.277 18219 8880 1 18 . 1 1 18 18 ALA CB C 9 17.562 17.562 18.206 -0.644 18219 8881 1 18 . 1 1 18 18 ALA H H 9 7.843 7.843 8.276 -0.433 18219 8882 1 18 . 1 1 19 19 ALA N N 10 121.797 121.797 122.910 -1.113 18219 8883 1 18 . 1 1 19 19 ALA HA H 10 3.950 3.950 3.966 -0.016 18219 8884 1 18 . 1 1 19 19 ALA C C 10 176.191 176.191 179.517 -3.326 18219 8885 1 18 . 1 1 19 19 ALA CA C 10 54.600 54.600 54.995 -0.395 18219 8886 1 18 . 1 1 19 19 ALA CB C 10 17.562 17.562 18.360 -0.798 18219 8887 1 18 . 1 1 19 19 ALA H H 10 8.212 8.212 8.403 -0.191 18219 8888 1 18 . 1 1 20 20 LEU N N 11 119.442 119.442 117.431 2.011 18219 8889 1 18 . 1 1 20 20 LEU HA H 11 3.937 3.937 4.123 -0.186 18219 8890 1 18 . 1 1 20 20 LEU C C 11 176.694 176.694 178.825 -2.131 18219 8891 1 18 . 1 1 20 20 LEU CA C 11 57.800 57.800 58.026 -0.226 18219 8892 1 18 . 1 1 20 20 LEU CB C 11 41.222 41.222 41.112 0.110 18219 8893 1 18 . 1 1 20 20 LEU H H 11 8.065 8.065 8.457 -0.392 18219 8894 1 18 . 1 1 21 21 VAL N N 12 118.323 118.323 120.414 -2.091 18219 8895 1 18 . 1 1 21 21 VAL HA H 12 3.640 3.640 3.503 0.137 18219 8896 1 18 . 1 1 21 21 VAL C C 12 176.536 176.536 178.507 -1.971 18219 8897 1 18 . 1 1 21 21 VAL CA C 12 65.400 65.400 67.028 -1.629 18219 8898 1 18 . 1 1 21 21 VAL CB C 12 31.135 31.135 30.857 0.278 18219 8899 1 18 . 1 1 21 21 VAL H H 12 8.051 8.051 8.207 -0.156 18219 8900 1 18 . 1 1 22 22 THR N N 13 118.298 118.298 116.381 1.917 18219 8901 1 18 . 1 1 22 22 THR HA H 13 4.660 4.660 4.033 0.627 18219 8902 1 18 . 1 1 22 22 THR C C 13 173.734 173.734 176.548 -2.814 18219 8903 1 18 . 1 1 22 22 THR CA C 13 66.300 66.300 66.820 -0.520 18219 8904 1 18 . 1 1 22 22 THR CB C 13 67.775 67.775 68.483 -0.707 18219 8905 1 18 . 1 1 22 22 THR H H 13 7.944 7.944 8.200 -0.256 18219 8906 1 18 . 1 1 23 23 PHE N N 14 121.328 121.328 122.664 -1.336 18219 8907 1 18 . 1 1 23 23 PHE HA H 14 4.340 4.340 4.289 0.051 18219 8908 1 18 . 1 1 23 23 PHE C C 14 174.783 174.783 177.547 -2.764 18219 8909 1 18 . 1 1 23 23 PHE CA C 14 60.500 60.500 61.090 -0.590 18219 8910 1 18 . 1 1 23 23 PHE CB C 14 38.626 38.626 38.808 -0.182 18219 8911 1 18 . 1 1 23 23 PHE H H 14 8.567 8.567 8.438 0.129 18219 8912 1 18 . 1 1 24 24 GLY N N 15 106.871 106.871 105.798 1.073 18219 8913 1 18 . 1 1 24 24 GLY C C 15 172.858 172.858 176.669 -3.811 18219 8914 1 18 . 1 1 24 24 GLY CA C 15 46.900 46.900 47.481 -0.581 18219 8915 1 18 . 1 1 24 24 GLY H H 15 8.475 8.475 9.058 -0.583 18219 8916 1 18 . 1 1 25 25 SER N N 16 116.214 116.214 118.092 -1.878 18219 8917 1 18 . 1 1 25 25 SER HA H 16 4.280 4.280 4.280 -0.000 18219 8918 1 18 . 1 1 25 25 SER CA C 16 60.300 60.300 61.668 -1.368 18219 8919 1 18 . 1 1 25 25 SER CB C 16 62.879 62.879 63.358 -0.479 18219 8920 1 18 . 1 1 25 25 SER H H 16 7.963 7.963 8.034 -0.071 18219 8921 1 18 . 1 1 26 26 ILE N N 17 121.024 121.024 121.985 -0.961 18219 8922 1 18 . 1 1 26 26 ILE HA H 17 3.946 3.946 3.714 0.232 18219 8923 1 18 . 1 1 26 26 ILE C C 17 173.935 173.935 178.094 -4.159 18219 8924 1 18 . 1 1 26 26 ILE CA C 17 63.100 63.100 64.578 -1.478 18219 8925 1 18 . 1 1 26 26 ILE CB C 17 38.107 38.107 38.164 -0.057 18219 8926 1 18 . 1 1 26 26 ILE H H 17 7.676 7.676 8.104 -0.428 18219 8927 1 18 . 1 1 27 27 PHE N N 18 117.142 117.142 118.331 -1.189 18219 8928 1 18 . 1 1 27 27 PHE HA H 18 4.430 4.430 4.103 0.327 18219 8929 1 18 . 1 1 27 27 PHE C C 18 173.504 173.504 176.690 -3.186 18219 8930 1 18 . 1 1 27 27 PHE CA C 18 58.500 58.500 60.565 -2.065 18219 8931 1 18 . 1 1 27 27 PHE CB C 18 38.774 38.774 39.560 -0.786 18219 8932 1 18 . 1 1 27 27 PHE H H 18 7.703 7.703 8.383 -0.680 18219 8933 1 18 . 1 1 28 28 GLY N N 19 107.303 107.303 105.855 1.448 18219 8934 1 18 . 1 1 28 28 GLY C C 19 171.593 171.593 173.706 -2.113 18219 8935 1 18 . 1 1 28 28 GLY CA C 19 45.600 45.600 45.099 0.501 18219 8936 1 18 . 1 1 28 28 GLY H H 19 7.722 7.722 8.140 -0.418 18219 8937 1 18 . 1 1 29 29 TYR N N 20 119.862 119.862 120.258 -0.396 18219 8938 1 18 . 1 1 29 29 TYR HA H 20 4.392 4.392 4.116 0.276 18219 8939 1 18 . 1 1 29 29 TYR C C 20 173.174 173.174 175.357 -2.183 18219 8940 1 18 . 1 1 29 29 TYR CA C 20 58.500 58.500 58.035 0.465 18219 8941 1 18 . 1 1 29 29 TYR CB C 20 38.404 38.404 37.522 0.882 18219 8942 1 18 . 1 1 29 29 TYR H H 20 7.880 7.880 8.149 -0.269 18219 8943 1 18 . 1 1 30 30 LYS N N 21 122.335 122.335 123.735 -1.400 18219 8944 1 18 . 1 1 30 30 LYS HA H 21 4.390 4.390 4.110 0.280 18219 8945 1 18 . 1 1 30 30 LYS C C 21 173.547 173.547 176.356 -2.809 18219 8946 1 18 . 1 1 30 30 LYS CA C 21 55.800 55.800 57.527 -1.727 18219 8947 1 18 . 1 1 30 30 LYS CB C 21 32.396 32.396 32.379 0.017 18219 8948 1 18 . 1 1 30 30 LYS H H 21 7.934 7.934 8.460 -0.526 18219 8949 1 18 . 1 1 31 31 ARG N N 22 120.612 120.612 123.297 -2.685 18219 8950 1 18 . 1 1 31 31 ARG C C 22 173.547 173.547 175.614 -2.067 18219 8951 1 18 . 1 1 31 31 ARG CA C 22 55.834 55.834 55.585 0.249 18219 8952 1 18 . 1 1 31 31 ARG CB C 22 30.101 30.101 31.857 -1.756 18219 8953 1 18 . 1 1 31 31 ARG H H 22 7.905 7.905 8.557 -0.652 18219 8954 1 18 . 1 1 32 32 ARG N N 23 121.748 121.748 122.326 -0.578 18219 8955 1 18 . 1 1 32 32 ARG HA H 23 4.310 4.310 4.403 -0.093 18219 8956 1 18 . 1 1 32 32 ARG C C 23 173.863 173.863 176.368 -2.505 18219 8957 1 18 . 1 1 32 32 ARG CA C 23 55.800 55.800 56.152 -0.352 18219 8958 1 18 . 1 1 32 32 ARG CB C 23 30.245 30.245 30.827 -0.582 18219 8959 1 18 . 1 1 32 32 ARG H H 23 8.175 8.175 8.594 -0.419 18219 8960 1 18 . 1 1 33 33 GLY N N 24 109.528 109.528 108.454 1.074 18219 8961 1 18 . 1 1 33 33 GLY C C 24 171.752 171.752 173.597 -1.845 18219 8962 1 18 . 1 1 33 33 GLY CA C 24 44.900 44.900 44.999 -0.099 18219 8963 1 18 . 1 1 33 33 GLY H H 24 8.264 8.264 8.242 0.022 18219 8964 1 18 . 1 1 34 34 GLY N N 25 108.563 108.563 107.803 0.760 18219 8965 1 18 . 1 1 34 34 GLY C C 25 171.701 171.701 174.263 -2.562 18219 8966 1 18 . 1 1 34 34 GLY CA C 25 44.600 44.600 44.309 0.291 18219 8967 1 18 . 1 1 34 34 GLY H H 25 8.208 8.208 7.660 0.548 18219 8968 1 18 . 1 1 35 35 VAL N N 26 121.164 121.164 124.242 -3.078 18219 8969 1 18 . 1 1 35 35 VAL HA H 26 4.010 4.010 3.970 0.040 18219 8970 1 18 . 1 1 35 35 VAL C C 26 175.888 175.888 175.253 0.635 18219 8971 1 18 . 1 1 35 35 VAL CA C 26 63.900 63.900 65.768 -1.868 18219 8972 1 18 . 1 1 35 35 VAL CB C 26 30.690 30.690 31.484 -0.794 18219 8973 1 18 . 1 1 35 35 VAL H H 26 8.485 8.485 8.393 0.092 18219 8974 1 18 . 1 1 36 36 PRO C C 27 177.660 177.660 178.036 -0.376 18219 8975 1 18 . 1 1 36 36 PRO CA C 27 61.847 61.847 64.721 -2.874 18219 8976 1 18 . 1 1 37 37 SER N N 28 116.023 116.023 116.459 -0.436 18219 8977 1 18 . 1 1 37 37 SER HA H 28 4.280 4.280 4.398 -0.118 18219 8978 1 18 . 1 1 37 37 SER CA C 28 61.100 61.100 61.070 0.030 18219 8979 1 18 . 1 1 37 37 SER H H 28 7.948 7.948 7.864 0.084 18219 8980 1 18 . 1 1 38 38 LEU N N 29 124.029 124.029 121.239 2.790 18219 8981 1 18 . 1 1 38 38 LEU HA H 29 4.170 4.170 3.948 0.222 18219 8982 1 18 . 1 1 38 38 LEU C C 29 176.132 176.132 178.690 -2.558 18219 8983 1 18 . 1 1 38 38 LEU CA C 29 57.500 57.500 58.240 -0.740 18219 8984 1 18 . 1 1 38 38 LEU CB C 29 42.038 42.038 40.782 1.256 18219 8985 1 18 . 1 1 38 38 LEU H H 29 8.201 8.201 7.277 0.924 18219 8986 1 18 . 1 1 39 39 ILE N N 30 117.098 117.098 119.463 -2.365 18219 8987 1 18 . 1 1 39 39 ILE HA H 30 4.370 4.370 3.651 0.719 18219 8988 1 18 . 1 1 39 39 ILE C C 30 176.478 176.478 177.309 -0.831 18219 8989 1 18 . 1 1 39 39 ILE CA C 30 63.079 63.079 63.474 -0.395 18219 8990 1 18 . 1 1 39 39 ILE CB C 30 36.973 36.973 37.220 -0.247 18219 8991 1 18 . 1 1 39 39 ILE H H 30 7.662 7.662 7.575 0.087 18219 8992 1 18 . 1 1 40 40 ALA N N 31 122.447 122.447 121.564 0.883 18219 8993 1 18 . 1 1 40 40 ALA HA H 31 4.034 4.034 3.973 0.061 18219 8994 1 18 . 1 1 40 40 ALA C C 31 177.067 177.067 179.769 -2.702 18219 8995 1 18 . 1 1 40 40 ALA CA C 31 55.962 55.962 55.584 0.378 18219 8996 1 18 . 1 1 40 40 ALA CB C 31 17.856 17.856 17.699 0.157 18219 8997 1 18 . 1 1 40 40 ALA H H 31 8.096 8.096 8.108 -0.012 18219 8998 1 18 . 1 1 41 41 GLY N N 32 104.056 104.056 107.550 -3.494 18219 8999 1 18 . 1 1 41 41 GLY C C 32 174.251 174.251 175.943 -1.692 18219 9000 1 18 . 1 1 41 41 GLY CA C 32 46.500 46.500 46.951 -0.451 18219 9001 1 18 . 1 1 41 41 GLY H H 32 8.123 8.123 8.059 0.064 18219 9002 1 18 . 1 1 42 42 LEU N N 33 123.250 123.250 123.144 0.106 18219 9003 1 18 . 1 1 42 42 LEU HA H 33 3.857 3.857 3.975 -0.118 18219 9004 1 18 . 1 1 42 42 LEU C C 33 176.033 176.033 178.515 -2.482 18219 9005 1 18 . 1 1 42 42 LEU CA C 33 56.668 56.668 58.033 -1.365 18219 9006 1 18 . 1 1 42 42 LEU CB C 33 41.721 41.721 41.989 -0.268 18219 9007 1 18 . 1 1 42 42 LEU H H 33 7.914 7.914 8.198 -0.284 18219 9008 1 18 . 1 1 43 43 PHE N N 34 119.757 119.757 119.118 0.639 18219 9009 1 18 . 1 1 43 43 PHE HA H 34 4.200 4.200 4.055 0.145 18219 9010 1 18 . 1 1 43 43 PHE C C 34 174.374 174.374 177.477 -3.103 18219 9011 1 18 . 1 1 43 43 PHE CA C 34 59.876 59.876 62.106 -2.231 18219 9012 1 18 . 1 1 43 43 PHE CB C 34 38.834 38.834 38.705 0.129 18219 9013 1 18 . 1 1 43 43 PHE H H 34 8.287 8.287 8.396 -0.109 18219 9014 1 18 . 1 1 44 44 VAL N N 35 117.791 117.791 118.841 -1.050 18219 9015 1 18 . 1 1 44 44 VAL HA H 35 3.610 3.610 3.612 -0.002 18219 9016 1 18 . 1 1 44 44 VAL C C 35 176.205 176.205 178.671 -2.466 18219 9017 1 18 . 1 1 44 44 VAL CA C 35 64.559 64.559 66.437 -1.878 18219 9018 1 18 . 1 1 44 44 VAL CB C 35 31.432 31.432 31.217 0.215 18219 9019 1 18 . 1 1 44 44 VAL H H 35 8.235 8.235 8.456 -0.221 18219 9020 1 18 . 1 1 45 45 GLY N N 36 108.551 108.551 106.471 2.080 18219 9021 1 18 . 1 1 45 45 GLY C C 36 173.749 173.749 175.720 -1.971 18219 9022 1 18 . 1 1 45 45 GLY CA C 36 46.083 46.083 47.138 -1.055 18219 9023 1 18 . 1 1 45 45 GLY H H 36 8.178 8.178 8.248 -0.070 18219 9024 1 18 . 1 1 46 46 CYS N N 37 121.173 121.173 122.195 -1.022 18219 9025 1 18 . 1 1 46 46 CYS HA H 37 4.180 4.180 4.037 0.143 18219 9026 1 18 . 1 1 46 46 CYS C C 37 173.710 173.710 176.448 -2.738 18219 9027 1 18 . 1 1 46 46 CYS CA C 37 63.000 63.000 63.738 -0.738 18219 9028 1 18 . 1 1 46 46 CYS CB C 37 60.283 60.283 27.756 32.527 18219 9029 1 18 . 1 1 46 46 CYS H H 37 8.253 8.253 8.007 0.246 18219 9030 1 18 . 1 1 47 47 LEU N N 38 120.283 120.283 119.591 0.692 18219 9031 1 18 . 1 1 47 47 LEU HA H 38 4.060 4.060 4.053 0.007 18219 9032 1 18 . 1 1 47 47 LEU C C 38 176.679 176.679 177.960 -1.281 18219 9033 1 18 . 1 1 47 47 LEU CA C 38 56.027 56.027 58.041 -2.014 18219 9034 1 18 . 1 1 47 47 LEU CB C 38 41.464 41.464 41.031 0.434 18219 9035 1 18 . 1 1 47 47 LEU H H 38 7.965 7.965 8.187 -0.222 18219 9036 1 18 . 1 1 48 48 ALA N N 39 122.249 122.249 121.869 0.380 18219 9037 1 18 . 1 1 48 48 ALA HA H 39 4.142 4.142 3.932 0.210 18219 9038 1 18 . 1 1 48 48 ALA C C 39 177.915 177.915 179.550 -1.635 18219 9039 1 18 . 1 1 48 48 ALA CA C 39 53.717 53.717 55.225 -1.508 18219 9040 1 18 . 1 1 48 48 ALA CB C 39 17.985 17.985 18.076 -0.091 18219 9041 1 18 . 1 1 48 48 ALA H H 39 8.066 8.066 7.852 0.214 18219 9042 1 18 . 1 1 49 49 GLY N N 40 107.377 107.377 107.256 0.121 18219 9043 1 18 . 1 1 49 49 GLY C C 40 172.527 172.527 175.497 -2.970 18219 9044 1 18 . 1 1 49 49 GLY CA C 40 45.450 45.450 46.521 -1.071 18219 9045 1 18 . 1 1 49 49 GLY H H 40 8.172 8.172 8.163 0.009 18219 9046 1 18 . 1 1 50 50 TYR N N 41 122.409 122.409 123.624 -1.215 18219 9047 1 18 . 1 1 50 50 TYR HA H 41 3.799 3.799 4.096 -0.297 18219 9048 1 18 . 1 1 50 50 TYR C C 41 174.208 174.208 177.079 -2.871 18219 9049 1 18 . 1 1 50 50 TYR CA C 41 59.245 59.245 60.964 -1.719 18219 9050 1 18 . 1 1 50 50 TYR CB C 41 37.936 37.936 38.433 -0.497 18219 9051 1 18 . 1 1 50 50 TYR H H 41 7.800 7.800 8.420 -0.620 18219 9052 1 18 . 1 1 51 51 GLY N N 42 106.935 106.935 105.067 1.868 18219 9053 1 18 . 1 1 51 51 GLY C C 42 172.642 172.642 175.317 -2.675 18219 9054 1 18 . 1 1 51 51 GLY CA C 42 46.265 46.265 45.562 0.703 18219 9055 1 18 . 1 1 51 51 GLY H H 42 8.199 8.199 7.958 0.241 18219 9056 1 18 . 1 1 52 52 ALA N N 43 123.018 123.018 125.850 -2.832 18219 9057 1 18 . 1 1 52 52 ALA HA H 43 4.150 4.150 3.958 0.192 18219 9058 1 18 . 1 1 52 52 ALA C C 43 176.398 176.398 179.217 -2.819 18219 9059 1 18 . 1 1 52 52 ALA CA C 43 52.883 52.883 54.672 -1.789 18219 9060 1 18 . 1 1 52 52 ALA CB C 43 18.241 18.241 18.093 0.148 18219 9061 1 18 . 1 1 52 52 ALA H H 43 7.758 7.758 7.849 -0.091 18219 9062 1 18 . 1 1 53 53 TYR N N 44 119.664 119.664 118.004 1.660 18219 9063 1 18 . 1 1 53 53 TYR HA H 44 4.318 4.318 4.093 0.225 18219 9064 1 18 . 1 1 53 53 TYR C C 44 174.180 174.180 177.012 -2.832 18219 9065 1 18 . 1 1 53 53 TYR CA C 44 58.593 58.593 61.619 -3.026 18219 9066 1 18 . 1 1 53 53 TYR CB C 44 38.192 38.192 38.393 -0.201 18219 9067 1 18 . 1 1 53 53 TYR H H 44 7.920 7.920 7.939 -0.019 18219 9068 1 18 . 1 1 54 54 ARG N N 45 119.516 119.516 116.295 3.221 18219 9069 1 18 . 1 1 54 54 ARG HA H 45 3.930 3.930 4.343 -0.413 18219 9070 1 18 . 1 1 54 54 ARG C C 45 174.423 174.423 177.160 -2.737 18219 9071 1 18 . 1 1 54 54 ARG CA C 45 56.027 56.027 56.555 -0.528 18219 9072 1 18 . 1 1 54 54 ARG CB C 45 30.173 30.173 32.036 -1.863 18219 9073 1 18 . 1 1 54 54 ARG H H 45 7.956 7.956 8.180 -0.224 18219 9074 1 18 . 1 1 55 55 VAL N N 46 116.437 116.437 120.579 -4.142 18219 9075 1 18 . 1 1 55 55 VAL HA H 46 4.060 4.060 3.994 0.066 18219 9076 1 18 . 1 1 55 55 VAL C C 46 173.806 173.806 175.296 -1.490 18219 9077 1 18 . 1 1 55 55 VAL CA C 46 62.300 62.300 62.375 -0.075 18219 9078 1 18 . 1 1 55 55 VAL CB C 46 31.521 31.521 31.400 0.121 18219 9079 1 18 . 1 1 55 55 VAL H H 46 7.489 7.489 8.538 -1.049 18219 9080 1 18 . 1 1 56 56 SER N N 47 117.185 117.185 116.030 1.155 18219 9081 1 18 . 1 1 56 56 SER HA H 47 4.401 4.401 4.027 0.374 18219 9082 1 18 . 1 1 56 56 SER C C 47 172.074 172.074 175.537 -3.463 18219 9083 1 18 . 1 1 56 56 SER CA C 47 58.133 58.133 60.540 -2.407 18219 9084 1 18 . 1 1 56 56 SER CB C 47 63.468 63.468 63.577 -0.109 18219 9085 1 18 . 1 1 56 56 SER H H 47 7.728 7.728 7.715 0.013 18219 9086 1 18 . 1 1 57 57 ASN N N 48 121.049 121.049 119.706 1.343 18219 9087 1 18 . 1 1 57 57 ASN HA H 48 4.590 4.590 4.445 0.145 18219 9088 1 18 . 1 1 57 57 ASN CA C 48 53.600 53.600 55.538 -1.938 18219 9089 1 18 . 1 1 57 57 ASN CB C 48 38.641 38.641 36.872 1.769 18219 9090 1 18 . 1 1 57 57 ASN H H 48 8.228 8.228 8.829 -0.601 18219 9091 1 18 . 1 1 58 58 ASP N N 49 120.276 120.276 121.162 -0.886 18219 9092 1 18 . 1 1 58 58 ASP HA H 49 4.530 4.530 4.507 0.023 18219 9093 1 18 . 1 1 58 58 ASP CA C 49 54.202 54.202 55.263 -1.061 18219 9094 1 18 . 1 1 58 58 ASP CB C 49 40.374 40.374 41.621 -1.247 18219 9095 1 18 . 1 1 58 58 ASP H H 49 8.192 8.192 8.202 -0.010 18219 9096 1 18 . 1 1 59 59 LYS N N 50 120.660 120.660 119.994 0.666 18219 9097 1 18 . 1 1 59 59 LYS HA H 50 4.200 4.200 3.911 0.289 18219 9098 1 18 . 1 1 59 59 LYS C C 50 173.474 173.474 175.509 -2.035 18219 9099 1 18 . 1 1 59 59 LYS CA C 50 56.300 56.300 56.410 -0.110 18219 9100 1 18 . 1 1 59 59 LYS CB C 50 32.034 32.034 31.698 0.336 18219 9101 1 18 . 1 1 59 59 LYS H H 50 8.003 8.003 7.703 0.300 18219 9102 1 18 . 1 1 60 60 ARG N N 51 121.278 121.278 122.507 -1.229 18219 9103 1 18 . 1 1 60 60 ARG HA H 51 4.200 4.200 4.140 0.060 18219 9104 1 18 . 1 1 60 60 ARG C C 51 173.303 173.303 174.418 -1.115 18219 9105 1 18 . 1 1 60 60 ARG CA C 51 56.283 56.283 56.127 0.156 18219 9106 1 18 . 1 1 60 60 ARG CB C 51 30.238 30.238 31.234 -0.996 18219 9107 1 18 . 1 1 60 60 ARG H H 51 8.091 8.091 8.249 -0.158 18219 9108 1 18 . 1 1 61 61 ASP N N 52 121.185 121.185 121.152 0.033 18219 9109 1 18 . 1 1 61 61 ASP HA H 52 4.615 4.615 4.801 -0.186 18219 9110 1 18 . 1 1 61 61 ASP C C 52 173.777 173.777 176.037 -2.260 18219 9111 1 18 . 1 1 61 61 ASP CA C 52 53.979 53.979 54.030 -0.051 18219 9112 1 18 . 1 1 61 61 ASP CB C 52 40.245 40.245 41.790 -1.545 18219 9113 1 18 . 1 1 61 61 ASP H H 52 8.261 8.261 8.257 0.004 18219 9114 1 18 . 1 1 62 62 VAL N N 53 121.902 121.902 123.924 -2.022 18219 9115 1 18 . 1 1 62 62 VAL HA H 53 3.950 3.950 3.415 0.535 18219 9116 1 18 . 1 1 62 62 VAL C C 53 173.279 173.279 175.718 -2.439 18219 9117 1 18 . 1 1 62 62 VAL CA C 53 63.176 63.176 66.031 -2.855 18219 9118 1 18 . 1 1 62 62 VAL CB C 53 32.099 32.099 31.429 0.670 18219 9119 1 18 . 1 1 62 62 VAL H H 53 7.997 7.997 8.740 -0.743 18219 9120 1 18 . 1 1 63 63 LYS N N 54 123.522 123.522 120.621 2.901 18219 9121 1 18 . 1 1 63 63 LYS HA H 54 4.260 4.260 3.744 0.516 18219 9122 1 18 . 1 1 63 63 LYS C C 54 174.481 174.481 177.998 -3.517 18219 9123 1 18 . 1 1 63 63 LYS CA C 54 56.347 56.347 59.643 -3.296 18219 9124 1 18 . 1 1 63 63 LYS CB C 54 32.099 32.099 31.785 0.313 18219 9125 1 18 . 1 1 63 63 LYS H H 54 8.054 8.054 7.948 0.106 18219 9126 1 18 . 1 1 64 64 VAL N N 55 120.647 120.647 117.824 2.823 18219 9127 1 18 . 1 1 64 64 VAL HA H 55 3.947 3.947 3.739 0.208 18219 9128 1 18 . 1 1 64 64 VAL C C 55 174.955 174.955 177.773 -2.818 18219 9129 1 18 . 1 1 64 64 VAL CA C 55 64.600 64.600 65.787 -1.187 18219 9130 1 18 . 1 1 64 64 VAL CB C 55 31.877 31.877 31.228 0.649 18219 9131 1 18 . 1 1 64 64 VAL H H 55 8.225 8.225 8.145 0.080 18219 9132 1 18 . 1 1 65 65 SER N N 56 117.785 117.785 116.461 1.324 18219 9133 1 18 . 1 1 65 65 SER HA H 56 4.390 4.390 4.214 0.176 18219 9134 1 18 . 1 1 65 65 SER C C 56 172.300 172.300 176.456 -4.156 18219 9135 1 18 . 1 1 65 65 SER CA C 56 60.000 60.000 61.872 -1.872 18219 9136 1 18 . 1 1 65 65 SER CB C 56 62.879 62.879 62.660 0.219 18219 9137 1 18 . 1 1 65 65 SER H H 56 8.260 8.260 8.048 0.212 18219 9138 1 18 . 1 1 66 66 LEU N N 57 123.318 123.318 122.236 1.082 18219 9139 1 18 . 1 1 66 66 LEU HA H 57 4.090 4.090 4.258 -0.168 18219 9140 1 18 . 1 1 66 66 LEU C C 57 175.932 175.932 178.958 -3.026 18219 9141 1 18 . 1 1 66 66 LEU CA C 57 57.502 57.502 58.365 -0.863 18219 9142 1 18 . 1 1 66 66 LEU CB C 57 41.721 41.721 41.357 0.364 18219 9143 1 18 . 1 1 66 66 LEU H H 57 8.091 8.091 8.806 -0.715 18219 9144 1 18 . 1 1 67 67 PHE N N 58 118.020 118.020 118.292 -0.272 18219 9145 1 18 . 1 1 67 67 PHE HA H 58 4.330 4.330 4.181 0.149 18219 9146 1 18 . 1 1 67 67 PHE C C 58 174.912 174.912 178.623 -3.711 18219 9147 1 18 . 1 1 67 67 PHE CA C 58 60.600 60.600 61.615 -1.015 18219 9148 1 18 . 1 1 67 67 PHE CB C 58 38.552 38.552 37.868 0.684 18219 9149 1 18 . 1 1 67 67 PHE H H 58 8.066 8.066 8.874 -0.808 18219 9150 1 18 . 1 1 68 68 THR N N 59 115.324 115.324 116.307 -0.983 18219 9151 1 18 . 1 1 68 68 THR HA H 59 4.310 4.310 4.190 0.120 18219 9152 1 18 . 1 1 68 68 THR C C 59 173.380 173.380 176.479 -3.099 18219 9153 1 18 . 1 1 68 68 THR CA C 59 66.313 66.313 66.366 -0.053 18219 9154 1 18 . 1 1 68 68 THR CB C 59 67.700 67.700 68.443 -0.743 18219 9155 1 18 . 1 1 68 68 THR H H 59 8.287 8.287 8.621 -0.334 18219 9156 1 18 . 1 1 69 69 ALA N N 60 123.621 123.621 124.852 -1.231 18219 9157 1 18 . 1 1 69 69 ALA HA H 60 4.280 4.280 4.092 0.188 18219 9158 1 18 . 1 1 69 69 ALA C C 60 176.978 176.978 180.051 -3.073 18219 9159 1 18 . 1 1 69 69 ALA CA C 60 55.100 55.100 55.132 -0.032 18219 9160 1 18 . 1 1 69 69 ALA CB C 60 17.728 17.728 18.215 -0.487 18219 9161 1 18 . 1 1 69 69 ALA H H 60 7.983 7.983 8.211 -0.228 18219 9162 1 18 . 1 1 70 70 PHE N N 61 118.520 118.520 118.169 0.351 18219 9163 1 18 . 1 1 70 70 PHE HA H 61 4.260 4.260 4.236 0.024 18219 9164 1 18 . 1 1 70 70 PHE C C 61 175.369 175.369 177.410 -2.041 18219 9165 1 18 . 1 1 70 70 PHE CA C 61 60.179 60.179 61.280 -1.101 18219 9166 1 18 . 1 1 70 70 PHE CB C 61 38.706 38.706 39.041 -0.335 18219 9167 1 18 . 1 1 70 70 PHE H H 61 8.007 8.007 8.874 -0.867 18219 9168 1 18 . 1 1 71 71 PHE N N 62 122.314 122.314 120.734 1.580 18219 9169 1 18 . 1 1 71 71 PHE HA H 62 4.000 4.000 4.146 -0.146 18219 9170 1 18 . 1 1 71 71 PHE C C 62 174.697 174.697 177.213 -2.516 18219 9171 1 18 . 1 1 71 71 PHE CA C 62 60.517 60.517 62.673 -2.156 18219 9172 1 18 . 1 1 71 71 PHE CB C 62 38.770 38.770 39.166 -0.396 18219 9173 1 18 . 1 1 71 71 PHE H H 62 8.546 8.546 8.280 0.266 18219 9174 1 18 . 1 1 72 72 LEU N N 63 119.399 119.399 119.689 -0.290 18219 9175 1 18 . 1 1 72 72 LEU HA H 63 3.870 3.870 3.920 -0.050 18219 9176 1 18 . 1 1 72 72 LEU C C 63 175.774 175.774 178.770 -2.996 18219 9177 1 18 . 1 1 72 72 LEU CA C 63 56.925 56.925 58.903 -1.978 18219 9178 1 18 . 1 1 72 72 LEU CB C 63 41.207 41.207 41.600 -0.393 18219 9179 1 18 . 1 1 72 72 LEU H H 63 8.396 8.396 8.858 -0.462 18219 9180 1 18 . 1 1 73 73 ALA N N 64 120.221 120.221 121.147 -0.926 18219 9181 1 18 . 1 1 73 73 ALA HA H 64 3.960 3.960 3.877 0.083 18219 9182 1 18 . 1 1 73 73 ALA C C 64 177.267 177.267 179.563 -2.296 18219 9183 1 18 . 1 1 73 73 ALA CA C 64 54.600 54.600 55.608 -1.008 18219 9184 1 18 . 1 1 73 73 ALA CB C 64 17.784 17.784 17.730 0.054 18219 9185 1 18 . 1 1 73 73 ALA H H 64 8.025 8.025 8.095 -0.070 18219 9186 1 18 . 1 1 74 74 THR N N 65 113.648 113.648 116.752 -3.104 18219 9187 1 18 . 1 1 74 74 THR HA H 65 3.980 3.980 4.231 -0.251 18219 9188 1 18 . 1 1 74 74 THR CA C 65 66.291 66.291 66.386 -0.095 18219 9189 1 18 . 1 1 74 74 THR CB C 65 67.914 67.914 68.709 -0.795 18219 9190 1 18 . 1 1 74 74 THR H H 65 7.717 7.717 8.177 -0.460 18219 9191 1 18 . 1 1 75 75 ILE N N 66 120.291 120.291 120.900 -0.609 18219 9192 1 18 . 1 1 75 75 ILE HA H 66 3.740 3.740 3.525 0.215 18219 9193 1 18 . 1 1 75 75 ILE C C 66 174.951 174.951 178.202 -3.251 18219 9194 1 18 . 1 1 75 75 ILE CA C 66 64.880 64.880 64.125 0.755 18219 9195 1 18 . 1 1 75 75 ILE CB C 66 37.166 37.166 37.401 -0.235 18219 9196 1 18 . 1 1 75 75 ILE H H 66 7.738 7.738 8.300 -0.562 18219 9197 1 18 . 1 1 76 76 MET N N 67 117.618 117.618 116.859 0.759 18219 9198 1 18 . 1 1 76 76 MET HA H 67 4.220 4.220 4.175 0.045 18219 9199 1 18 . 1 1 76 76 MET C C 67 175.142 175.142 178.025 -2.883 18219 9200 1 18 . 1 1 76 76 MET CA C 67 56.723 56.723 57.372 -0.649 18219 9201 1 18 . 1 1 76 76 MET CB C 67 31.951 31.951 33.347 -1.396 18219 9202 1 18 . 1 1 76 76 MET H H 67 7.823 7.823 8.508 -0.685 18219 9203 1 18 . 1 1 77 77 GLY N N 68 107.110 107.110 106.143 0.967 18219 9204 1 18 . 1 1 77 77 GLY C C 68 172.260 172.260 175.182 -2.922 18219 9205 1 18 . 1 1 77 77 GLY CA C 68 45.800 45.800 45.586 0.214 18219 9206 1 18 . 1 1 77 77 GLY H H 68 7.937 7.937 8.489 -0.552 18219 9207 1 18 . 1 1 78 78 VAL N N 69 120.431 120.431 117.725 2.706 18219 9208 1 18 . 1 1 78 78 VAL HA H 69 4.220 4.220 3.600 0.620 18219 9209 1 18 . 1 1 78 78 VAL CA C 69 63.900 63.900 65.016 -1.116 18219 9210 1 18 . 1 1 78 78 VAL CB C 69 31.506 31.506 31.087 0.419 18219 9211 1 18 . 1 1 78 78 VAL H H 69 7.697 7.697 8.460 -0.763 18219 9212 1 18 . 1 1 79 79 ARG N N 70 121.420 121.420 118.270 3.150 18219 9213 1 18 . 1 1 79 79 ARG HA H 70 3.810 3.810 4.148 -0.338 18219 9214 1 18 . 1 1 79 79 ARG CA C 70 56.400 56.400 58.707 -2.307 18219 9215 1 18 . 1 1 79 79 ARG CB C 70 30.097 30.097 30.884 -0.787 18219 9216 1 18 . 1 1 79 79 ARG H H 70 7.889 7.889 8.311 -0.422 18219 9217 1 18 . 1 1 80 80 PHE N N 71 119.949 119.949 113.161 6.788 18219 9218 1 18 . 1 1 80 80 PHE HA H 71 4.510 4.510 4.521 -0.011 18219 9219 1 18 . 1 1 80 80 PHE CA C 71 58.600 58.600 59.106 -0.506 18219 9220 1 18 . 1 1 80 80 PHE CB C 71 39.145 39.145 40.333 -1.188 18219 9221 1 18 . 1 1 80 80 PHE H H 71 8.101 8.101 8.339 -0.238 18219 9222 1 18 . 1 1 81 81 LYS N N 72 122.193 122.193 118.315 3.878 18219 9223 1 18 . 1 1 81 81 LYS CA C 72 56.800 56.800 56.764 0.036 18219 9224 1 18 . 1 1 81 81 LYS CB C 72 32.322 32.322 34.179 -1.857 18219 9225 1 18 . 1 1 81 81 LYS H H 72 8.090 8.090 7.918 0.172 18219 9226 1 18 . 1 1 82 82 ARG N N 73 119.650 119.650 120.601 -0.951 18219 9227 1 18 . 1 1 82 82 ARG CA C 73 56.089 56.089 56.348 -0.259 18219 9228 1 18 . 1 1 82 82 ARG CB C 73 30.171 30.171 31.469 -1.298 18219 9229 1 18 . 1 1 82 82 ARG H H 73 8.052 8.052 8.401 -0.349 18219 9230 1 18 . 1 1 83 83 SER N N 74 115.734 115.734 117.745 -2.011 18219 9231 1 18 . 1 1 83 83 SER CA C 74 58.355 58.355 58.865 -0.510 18219 9232 1 18 . 1 1 83 83 SER CB C 74 63.404 63.404 64.034 -0.630 18219 9233 1 18 . 1 1 83 83 SER H H 74 7.912 7.912 8.818 -0.906 18219 9234 1 18 . 1 1 84 84 LYS N N 75 122.370 122.370 120.855 1.515 18219 9235 1 18 . 1 1 84 84 LYS CA C 75 56.135 56.135 57.330 -1.195 18219 9236 1 18 . 1 1 84 84 LYS CB C 75 32.175 32.175 31.335 0.839 18219 9237 1 18 . 1 1 84 84 LYS H H 75 8.067 8.067 8.403 -0.336 18219 9238 1 18 . 1 1 86 86 ILE N N 77 119.592 119.592 118.572 1.020 18219 9239 1 18 . 1 1 86 86 ILE HA H 77 3.810 3.810 4.187 -0.377 18219 9240 1 18 . 1 1 86 86 ILE CA C 77 64.900 64.900 61.002 3.898 18219 9241 1 18 . 1 1 86 86 ILE CB C 77 39.145 39.145 38.317 0.828 18219 9242 1 18 . 1 1 86 86 ILE H H 77 7.837 7.837 8.067 -0.230 18219 9243 1 18 . 1 1 87 87 MET N N 78 121.645 121.645 120.520 1.125 18219 9244 1 18 . 1 1 87 87 MET CA C 78 52.982 52.982 59.575 -6.593 18219 9245 1 18 . 1 1 87 87 MET CB C 78 32.173 32.173 30.637 1.536 18219 9246 1 18 . 1 1 87 87 MET H H 78 7.950 7.950 8.029 -0.079 18219 9247 1 18 . 1 1 88 88 PRO HA H 79 4.140 4.140 4.544 -0.404 18219 9248 1 18 . 1 1 88 88 PRO C C 79 173.921 173.921 176.338 -2.417 18219 9249 1 18 . 1 1 88 88 PRO CA C 79 62.800 62.800 62.270 0.530 18219 9250 1 18 . 1 1 88 88 PRO CB C 79 31.136 31.136 29.239 1.897 18219 9251 1 18 . 1 1 89 89 ALA N N 80 124.431 124.431 125.073 -0.642 18219 9252 1 18 . 1 1 89 89 ALA HA H 80 4.400 4.400 3.987 0.413 18219 9253 1 18 . 1 1 89 89 ALA C C 80 176.234 176.234 179.221 -2.987 18219 9254 1 18 . 1 1 89 89 ALA CA C 80 53.300 53.300 55.764 -2.464 18219 9255 1 18 . 1 1 89 89 ALA CB C 80 18.498 18.498 18.553 -0.055 18219 9256 1 18 . 1 1 89 89 ALA H H 80 8.320 8.320 8.612 -0.292 18219 9257 1 18 . 1 1 90 90 GLY N N 81 106.834 106.834 105.886 0.948 18219 9258 1 18 . 1 1 90 90 GLY C C 81 172.398 172.398 176.161 -3.763 18219 9259 1 18 . 1 1 90 90 GLY CA C 81 45.600 45.600 46.904 -1.304 18219 9260 1 18 . 1 1 90 90 GLY H H 81 8.458 8.458 8.049 0.409 18219 9261 1 18 . 1 1 91 91 LEU N N 82 121.043 121.043 122.605 -1.562 18219 9262 1 18 . 1 1 91 91 LEU HA H 82 4.200 4.200 4.071 0.129 18219 9263 1 18 . 1 1 91 91 LEU C C 82 174.783 174.783 179.144 -4.361 18219 9264 1 18 . 1 1 91 91 LEU CA C 82 56.300 56.300 57.390 -1.090 18219 9265 1 18 . 1 1 91 91 LEU CB C 82 42.106 42.106 41.140 0.966 18219 9266 1 18 . 1 1 91 91 LEU H H 82 7.687 7.687 7.660 0.027 18219 9267 1 18 . 1 1 92 92 VAL N N 83 114.737 114.737 118.953 -4.216 18219 9268 1 18 . 1 1 92 92 VAL HA H 83 3.980 3.980 3.538 0.442 18219 9269 1 18 . 1 1 92 92 VAL C C 83 173.634 173.634 178.026 -4.392 18219 9270 1 18 . 1 1 92 92 VAL CA C 83 62.400 62.400 67.073 -4.673 18219 9271 1 18 . 1 1 92 92 VAL CB C 83 31.585 31.585 31.087 0.498 18219 9272 1 18 . 1 1 92 92 VAL H H 83 7.602 7.602 8.397 -0.795 18219 9273 1 18 . 1 1 93 93 ALA N N 84 124.320 124.320 120.901 3.419 18219 9274 1 18 . 1 1 93 93 ALA HA H 84 4.150 4.150 3.991 0.159 18219 9275 1 18 . 1 1 93 93 ALA C C 84 175.746 175.746 179.947 -4.201 18219 9276 1 18 . 1 1 93 93 ALA CA C 84 53.300 53.300 55.305 -2.005 18219 9277 1 18 . 1 1 93 93 ALA CB C 84 18.241 18.241 17.899 0.342 18219 9278 1 18 . 1 1 93 93 ALA H H 84 7.891 7.891 8.220 -0.329 18219 9279 1 18 . 1 1 94 94 GLY N N 85 106.807 106.807 107.114 -0.307 18219 9280 1 18 . 1 1 94 94 GLY C C 85 171.752 171.752 175.993 -4.241 18219 9281 1 18 . 1 1 94 94 GLY CA C 85 45.249 45.249 46.592 -1.343 18219 9282 1 18 . 1 1 94 94 GLY H H 85 8.204 8.204 8.048 0.156 18219 9283 1 18 . 1 1 95 95 LEU N N 86 121.266 121.266 122.112 -0.846 18219 9284 1 18 . 1 1 95 95 LEU HA H 86 4.380 4.380 4.147 0.233 18219 9285 1 18 . 1 1 95 95 LEU C C 86 173.702 173.702 178.841 -5.139 18219 9286 1 18 . 1 1 95 95 LEU CA C 86 55.000 55.000 57.335 -2.335 18219 9287 1 18 . 1 1 95 95 LEU CB C 86 42.298 42.298 40.992 1.306 18219 9288 1 18 . 1 1 95 95 LEU H H 86 7.718 7.718 8.019 -0.301 18219 9289 1 18 . 1 1 96 96 SER N N 87 115.658 115.658 116.061 -0.403 18219 9290 1 18 . 1 1 96 96 SER HA H 87 4.370 4.370 4.139 0.231 18219 9291 1 18 . 1 1 96 96 SER C C 87 172.479 172.479 176.816 -4.337 18219 9292 1 18 . 1 1 96 96 SER CA C 87 57.200 57.200 62.271 -5.071 18219 9293 1 18 . 1 1 96 96 SER CB C 87 64.174 64.174 63.185 0.989 18219 9294 1 18 . 1 1 96 96 SER H H 87 7.659 7.659 8.127 -0.468 18219 9295 1 18 . 1 1 97 97 LEU N N 88 123.720 123.720 122.797 0.923 18219 9296 1 18 . 1 1 97 97 LEU HA H 88 4.600 4.600 4.026 0.574 18219 9297 1 18 . 1 1 97 97 LEU C C 88 175.932 175.932 178.676 -2.744 18219 9298 1 18 . 1 1 97 97 LEU CA C 88 57.600 57.600 57.806 -0.206 18219 9299 1 18 . 1 1 97 97 LEU CB C 88 41.400 41.400 42.035 -0.635 18219 9300 1 18 . 1 1 97 97 LEU H H 88 8.733 8.733 8.134 0.599 18219 9301 1 18 . 1 1 98 98 MET N N 89 116.684 116.684 120.042 -3.358 18219 9302 1 18 . 1 1 98 98 MET HA H 89 4.280 4.280 4.140 0.140 18219 9303 1 18 . 1 1 98 98 MET C C 89 175.789 175.789 178.113 -2.324 18219 9304 1 18 . 1 1 98 98 MET CA C 89 56.915 56.915 58.923 -2.008 18219 9305 1 18 . 1 1 98 98 MET CB C 89 31.007 31.007 32.729 -1.722 18219 9306 1 18 . 1 1 98 98 MET H H 89 8.342 8.342 8.213 0.129 18219 9307 1 18 . 1 1 99 99 MET N N 90 119.182 119.182 118.104 1.078 18219 9308 1 18 . 1 1 99 99 MET HA H 90 4.110 4.110 4.214 -0.104 18219 9309 1 18 . 1 1 99 99 MET C C 90 175.588 175.588 178.732 -3.144 18219 9310 1 18 . 1 1 99 99 MET CA C 90 57.951 57.951 58.395 -0.444 18219 9311 1 18 . 1 1 99 99 MET CB C 90 32.226 32.226 32.011 0.215 18219 9312 1 18 . 1 1 99 99 MET H H 90 7.720 7.720 8.178 -0.459 18219 9313 1 18 . 1 1 100 100 ILE N N 91 119.077 119.077 120.851 -1.774 18219 9314 1 18 . 1 1 100 100 ILE HA H 91 4.110 4.110 3.929 0.181 18219 9315 1 18 . 1 1 100 100 ILE C C 91 174.634 174.634 177.127 -2.493 18219 9316 1 18 . 1 1 100 100 ILE CA C 91 64.100 64.100 64.759 -0.659 18219 9317 1 18 . 1 1 100 100 ILE CB C 91 37.143 37.143 38.662 -1.519 18219 9318 1 18 . 1 1 100 100 ILE H H 91 7.662 7.662 8.178 -0.516 18219 9319 1 18 . 1 1 101 101 LEU N N 92 119.646 119.646 118.581 1.065 18219 9320 1 18 . 1 1 101 101 LEU HA H 92 4.530 4.530 4.185 0.345 18219 9321 1 18 . 1 1 101 101 LEU C C 92 175.430 175.430 178.167 -2.737 18219 9322 1 18 . 1 1 101 101 LEU CA C 92 57.800 57.800 57.492 0.308 18219 9323 1 18 . 1 1 101 101 LEU CB C 92 40.758 40.758 41.394 -0.636 18219 9324 1 18 . 1 1 101 101 LEU H H 92 8.142 8.142 7.884 0.258 18219 9325 1 18 . 1 1 102 102 ARG N N 93 116.394 116.394 118.160 -1.766 18219 9326 1 18 . 1 1 102 102 ARG HA H 93 4.140 4.140 4.379 -0.239 18219 9327 1 18 . 1 1 102 102 ARG C C 93 175.961 175.961 177.757 -1.796 18219 9328 1 18 . 1 1 102 102 ARG CA C 93 59.100 59.100 58.385 0.715 18219 9329 1 18 . 1 1 102 102 ARG CB C 93 29.404 29.404 31.383 -1.979 18219 9330 1 18 . 1 1 102 102 ARG H H 93 7.893 7.893 8.146 -0.253 18219 9331 1 18 . 1 1 103 103 LEU N N 94 119.114 119.114 121.181 -2.067 18219 9332 1 18 . 1 1 103 103 LEU HA H 94 4.110 4.110 4.280 -0.170 18219 9333 1 18 . 1 1 103 103 LEU C C 94 175.889 175.889 179.072 -3.183 18219 9334 1 18 . 1 1 103 103 LEU CA C 94 57.300 57.300 56.399 0.901 18219 9335 1 18 . 1 1 103 103 LEU CB C 94 41.296 41.296 41.908 -0.612 18219 9336 1 18 . 1 1 103 103 LEU H H 94 7.622 7.622 7.958 -0.336 18219 9337 1 18 . 1 1 104 104 VAL N N 95 117.704 117.704 120.537 -2.833 18219 9338 1 18 . 1 1 104 104 VAL HA H 95 3.530 3.530 3.770 -0.240 18219 9339 1 18 . 1 1 104 104 VAL C C 95 175.042 175.042 176.918 -1.876 18219 9340 1 18 . 1 1 104 104 VAL CA C 95 66.419 66.419 65.961 0.458 18219 9341 1 18 . 1 1 104 104 VAL CB C 95 31.357 31.357 31.785 -0.428 18219 9342 1 18 . 1 1 104 104 VAL H H 95 8.026 8.026 7.870 0.156 18219 9343 1 18 . 1 1 105 105 LEU N N 96 117.185 117.185 114.746 2.439 18219 9344 1 18 . 1 1 105 105 LEU HA H 96 3.980 3.980 4.670 -0.690 18219 9345 1 18 . 1 1 105 105 LEU C C 96 176.579 176.579 176.376 0.203 18219 9346 1 18 . 1 1 105 105 LEU CA C 96 56.800 56.800 53.677 3.123 18219 9347 1 18 . 1 1 105 105 LEU CB C 96 40.951 40.951 41.148 -0.197 18219 9348 1 18 . 1 1 105 105 LEU H H 96 7.893 7.893 7.592 0.301 18219 9349 1 18 . 1 1 106 106 LEU N N 97 118.471 118.471 115.989 2.482 18219 9350 1 18 . 1 1 106 106 LEU HA H 97 4.180 4.180 3.949 0.231 18219 9351 1 18 . 1 1 106 106 LEU C C 97 175.802 175.802 176.564 -0.762 18219 9352 1 18 . 1 1 106 106 LEU CA C 97 56.300 56.300 56.101 0.199 18219 9353 1 18 . 1 1 106 106 LEU CB C 97 41.592 41.592 40.314 1.278 18219 9354 1 18 . 1 1 106 106 LEU H H 97 7.545 7.545 7.502 0.043 18219 9355 1 18 . 1 1 107 107 LEU N N 98 118.162 118.162 115.747 2.415 18219 9356 1 18 . 1 1 107 107 LEU HA H 98 4.230 4.230 4.395 -0.165 18219 9357 1 18 . 1 1 107 107 LEU C C 98 174.174 174.174 176.814 -2.640 18219 9358 1 18 . 1 1 107 107 LEU CA C 98 56.283 56.283 55.957 0.326 18219 9359 1 18 . 1 1 107 107 LEU CB C 98 42.362 42.362 42.208 0.154 18219 9360 1 18 . 1 1 107 107 LEU H H 98 7.688 7.688 7.519 0.169 18219 9361 1 19 . 1 1 11 11 ASP N N 2 120.536 120.536 121.478 -0.942 18219 9362 1 19 . 1 1 11 11 ASP CA C 2 55.918 55.918 54.424 1.494 18219 9363 1 19 . 1 1 11 11 ASP CB C 2 37.959 37.959 41.181 -3.222 18219 9364 1 19 . 1 1 11 11 ASP H H 2 7.863 7.863 8.493 -0.630 18219 9365 1 19 . 1 1 12 12 LEU N N 3 121.414 121.414 122.285 -0.871 18219 9366 1 19 . 1 1 12 12 LEU C C 3 176.162 176.162 178.588 -2.426 18219 9367 1 19 . 1 1 12 12 LEU CA C 3 57.600 57.600 56.550 1.050 18219 9368 1 19 . 1 1 12 12 LEU CB C 3 41.657 41.657 42.203 -0.546 18219 9369 1 19 . 1 1 12 12 LEU H H 3 8.285 8.285 8.264 0.021 18219 9370 1 19 . 1 1 13 13 ILE N N 4 118.854 118.854 117.677 1.177 18219 9371 1 19 . 1 1 13 13 ILE HA H 4 3.740 3.740 3.850 -0.110 18219 9372 1 19 . 1 1 13 13 ILE C C 4 175.228 175.228 177.893 -2.665 18219 9373 1 19 . 1 1 13 13 ILE CA C 4 64.500 64.500 63.157 1.343 18219 9374 1 19 . 1 1 13 13 ILE CB C 4 37.102 37.102 38.228 -1.126 18219 9375 1 19 . 1 1 13 13 ILE H H 4 8.031 8.031 7.939 0.092 18219 9376 1 19 . 1 1 14 14 GLY N N 5 107.478 107.478 106.268 1.210 18219 9377 1 19 . 1 1 14 14 GLY C C 5 174.424 174.424 175.794 -1.370 18219 9378 1 19 . 1 1 14 14 GLY CA C 5 47.059 47.059 46.512 0.547 18219 9379 1 19 . 1 1 14 14 GLY H H 5 8.148 8.148 8.415 -0.267 18219 9380 1 19 . 1 1 15 15 PHE N N 6 122.774 122.774 123.756 -0.982 18219 9381 1 19 . 1 1 15 15 PHE HA H 6 4.480 4.480 4.285 0.195 18219 9382 1 19 . 1 1 15 15 PHE C C 6 175.113 175.113 176.926 -1.813 18219 9383 1 19 . 1 1 15 15 PHE CA C 6 60.017 60.017 61.901 -1.884 18219 9384 1 19 . 1 1 15 15 PHE CB C 6 38.774 38.774 38.560 0.214 18219 9385 1 19 . 1 1 15 15 PHE H H 6 8.194 8.194 7.947 0.247 18219 9386 1 19 . 1 1 16 16 GLY N N 7 107.938 107.938 106.773 1.165 18219 9387 1 19 . 1 1 16 16 GLY C C 7 171.838 171.838 175.637 -3.799 18219 9388 1 19 . 1 1 16 16 GLY CA C 7 47.100 47.100 47.567 -0.467 18219 9389 1 19 . 1 1 16 16 GLY H H 7 8.697 8.697 8.658 0.039 18219 9390 1 19 . 1 1 17 17 TYR N N 8 121.785 121.785 123.577 -1.792 18219 9391 1 19 . 1 1 17 17 TYR HA H 8 4.150 4.150 4.132 0.018 18219 9392 1 19 . 1 1 17 17 TYR C C 8 174.180 174.180 177.768 -3.588 18219 9393 1 19 . 1 1 17 17 TYR CA C 8 61.300 61.300 60.696 0.604 18219 9394 1 19 . 1 1 17 17 TYR CB C 8 37.959 37.959 38.299 -0.340 18219 9395 1 19 . 1 1 17 17 TYR H H 8 8.710 8.710 8.242 0.468 18219 9396 1 19 . 1 1 18 18 ALA N N 9 120.233 120.233 120.586 -0.353 18219 9397 1 19 . 1 1 18 18 ALA HA H 9 3.950 3.950 4.018 -0.068 18219 9398 1 19 . 1 1 18 18 ALA C C 9 178.059 178.059 178.884 -0.825 18219 9399 1 19 . 1 1 18 18 ALA CA C 9 54.872 54.872 54.529 0.343 18219 9400 1 19 . 1 1 18 18 ALA CB C 9 17.562 17.562 18.116 -0.555 18219 9401 1 19 . 1 1 18 18 ALA H H 9 7.843 7.843 8.113 -0.270 18219 9402 1 19 . 1 1 19 19 ALA N N 10 121.797 121.797 122.903 -1.106 18219 9403 1 19 . 1 1 19 19 ALA HA H 10 3.950 3.950 3.984 -0.034 18219 9404 1 19 . 1 1 19 19 ALA C C 10 176.191 176.191 179.506 -3.315 18219 9405 1 19 . 1 1 19 19 ALA CA C 10 54.600 54.600 54.874 -0.275 18219 9406 1 19 . 1 1 19 19 ALA CB C 10 17.562 17.562 18.381 -0.819 18219 9407 1 19 . 1 1 19 19 ALA H H 10 8.212 8.212 8.236 -0.024 18219 9408 1 19 . 1 1 20 20 LEU N N 11 119.442 119.442 117.522 1.920 18219 9409 1 19 . 1 1 20 20 LEU HA H 11 3.937 3.937 4.006 -0.069 18219 9410 1 19 . 1 1 20 20 LEU C C 11 176.694 176.694 178.855 -2.161 18219 9411 1 19 . 1 1 20 20 LEU CA C 11 57.800 57.800 58.020 -0.220 18219 9412 1 19 . 1 1 20 20 LEU CB C 11 41.222 41.222 41.038 0.184 18219 9413 1 19 . 1 1 20 20 LEU H H 11 8.065 8.065 8.523 -0.458 18219 9414 1 19 . 1 1 21 21 VAL N N 12 118.323 118.323 120.442 -2.119 18219 9415 1 19 . 1 1 21 21 VAL HA H 12 3.640 3.640 3.656 -0.016 18219 9416 1 19 . 1 1 21 21 VAL C C 12 176.536 176.536 178.659 -2.123 18219 9417 1 19 . 1 1 21 21 VAL CA C 12 65.400 65.400 66.750 -1.350 18219 9418 1 19 . 1 1 21 21 VAL CB C 12 31.135 31.135 30.586 0.549 18219 9419 1 19 . 1 1 21 21 VAL H H 12 8.051 8.051 8.386 -0.335 18219 9420 1 19 . 1 1 22 22 THR N N 13 118.298 118.298 116.566 1.732 18219 9421 1 19 . 1 1 22 22 THR HA H 13 4.660 4.660 4.054 0.606 18219 9422 1 19 . 1 1 22 22 THR C C 13 173.734 173.734 176.839 -3.105 18219 9423 1 19 . 1 1 22 22 THR CA C 13 66.300 66.300 66.312 -0.012 18219 9424 1 19 . 1 1 22 22 THR CB C 13 67.775 67.775 68.358 -0.583 18219 9425 1 19 . 1 1 22 22 THR H H 13 7.944 7.944 7.874 0.070 18219 9426 1 19 . 1 1 23 23 PHE N N 14 121.328 121.328 122.856 -1.528 18219 9427 1 19 . 1 1 23 23 PHE HA H 14 4.340 4.340 4.239 0.101 18219 9428 1 19 . 1 1 23 23 PHE C C 14 174.783 174.783 177.212 -2.429 18219 9429 1 19 . 1 1 23 23 PHE CA C 14 60.500 60.500 61.764 -1.264 18219 9430 1 19 . 1 1 23 23 PHE CB C 14 38.626 38.626 38.882 -0.256 18219 9431 1 19 . 1 1 23 23 PHE H H 14 8.567 8.567 8.451 0.116 18219 9432 1 19 . 1 1 24 24 GLY N N 15 106.871 106.871 105.874 0.997 18219 9433 1 19 . 1 1 24 24 GLY C C 15 172.858 172.858 175.900 -3.042 18219 9434 1 19 . 1 1 24 24 GLY CA C 15 46.900 46.900 47.152 -0.252 18219 9435 1 19 . 1 1 24 24 GLY H H 15 8.475 8.475 8.931 -0.456 18219 9436 1 19 . 1 1 25 25 SER N N 16 116.214 116.214 116.796 -0.582 18219 9437 1 19 . 1 1 25 25 SER HA H 16 4.280 4.280 4.316 -0.036 18219 9438 1 19 . 1 1 25 25 SER CA C 16 60.300 60.300 61.374 -1.074 18219 9439 1 19 . 1 1 25 25 SER CB C 16 62.879 62.879 63.343 -0.464 18219 9440 1 19 . 1 1 25 25 SER H H 16 7.963 7.963 7.871 0.092 18219 9441 1 19 . 1 1 26 26 ILE N N 17 121.024 121.024 121.673 -0.649 18219 9442 1 19 . 1 1 26 26 ILE HA H 17 3.946 3.946 3.801 0.145 18219 9443 1 19 . 1 1 26 26 ILE C C 17 173.935 173.935 178.200 -4.265 18219 9444 1 19 . 1 1 26 26 ILE CA C 17 63.100 63.100 63.362 -0.263 18219 9445 1 19 . 1 1 26 26 ILE CB C 17 38.107 38.107 37.433 0.674 18219 9446 1 19 . 1 1 26 26 ILE H H 17 7.676 7.676 8.109 -0.433 18219 9447 1 19 . 1 1 27 27 PHE N N 18 117.142 117.142 119.376 -2.234 18219 9448 1 19 . 1 1 27 27 PHE HA H 18 4.430 4.430 4.107 0.323 18219 9449 1 19 . 1 1 27 27 PHE C C 18 173.504 173.504 176.316 -2.812 18219 9450 1 19 . 1 1 27 27 PHE CA C 18 58.500 58.500 60.309 -1.809 18219 9451 1 19 . 1 1 27 27 PHE CB C 18 38.774 38.774 39.544 -0.770 18219 9452 1 19 . 1 1 27 27 PHE H H 18 7.703 7.703 8.246 -0.543 18219 9453 1 19 . 1 1 28 28 GLY N N 19 107.303 107.303 106.965 0.338 18219 9454 1 19 . 1 1 28 28 GLY C C 19 171.593 171.593 173.872 -2.279 18219 9455 1 19 . 1 1 28 28 GLY CA C 19 45.600 45.600 45.695 -0.095 18219 9456 1 19 . 1 1 28 28 GLY H H 19 7.722 7.722 7.787 -0.065 18219 9457 1 19 . 1 1 29 29 TYR N N 20 119.862 119.862 116.878 2.984 18219 9458 1 19 . 1 1 29 29 TYR HA H 20 4.392 4.392 4.369 0.023 18219 9459 1 19 . 1 1 29 29 TYR C C 20 173.174 173.174 174.963 -1.789 18219 9460 1 19 . 1 1 29 29 TYR CA C 20 58.500 58.500 57.786 0.714 18219 9461 1 19 . 1 1 29 29 TYR CB C 20 38.404 38.404 38.313 0.091 18219 9462 1 19 . 1 1 29 29 TYR H H 20 7.880 7.880 8.408 -0.528 18219 9463 1 19 . 1 1 30 30 LYS N N 21 122.335 122.335 122.731 -0.396 18219 9464 1 19 . 1 1 30 30 LYS HA H 21 4.390 4.390 3.767 0.623 18219 9465 1 19 . 1 1 30 30 LYS C C 21 173.547 173.547 176.272 -2.725 18219 9466 1 19 . 1 1 30 30 LYS CA C 21 55.800 55.800 57.408 -1.608 18219 9467 1 19 . 1 1 30 30 LYS CB C 21 32.396 32.396 32.559 -0.163 18219 9468 1 19 . 1 1 30 30 LYS H H 21 7.934 7.934 8.039 -0.105 18219 9469 1 19 . 1 1 31 31 ARG N N 22 120.612 120.612 124.593 -3.981 18219 9470 1 19 . 1 1 31 31 ARG C C 22 173.547 173.547 175.671 -2.124 18219 9471 1 19 . 1 1 31 31 ARG CA C 22 55.834 55.834 55.657 0.177 18219 9472 1 19 . 1 1 31 31 ARG CB C 22 30.101 30.101 31.755 -1.654 18219 9473 1 19 . 1 1 31 31 ARG H H 22 7.905 7.905 8.483 -0.578 18219 9474 1 19 . 1 1 32 32 ARG N N 23 121.748 121.748 123.028 -1.280 18219 9475 1 19 . 1 1 32 32 ARG HA H 23 4.310 4.310 4.263 0.047 18219 9476 1 19 . 1 1 32 32 ARG C C 23 173.863 173.863 176.219 -2.356 18219 9477 1 19 . 1 1 32 32 ARG CA C 23 55.800 55.800 57.006 -1.206 18219 9478 1 19 . 1 1 32 32 ARG CB C 23 30.245 30.245 30.608 -0.363 18219 9479 1 19 . 1 1 32 32 ARG H H 23 8.175 8.175 8.567 -0.392 18219 9480 1 19 . 1 1 33 33 GLY N N 24 109.528 109.528 105.948 3.580 18219 9481 1 19 . 1 1 33 33 GLY C C 24 171.752 171.752 173.113 -1.361 18219 9482 1 19 . 1 1 33 33 GLY CA C 24 44.900 44.900 44.182 0.718 18219 9483 1 19 . 1 1 33 33 GLY H H 24 8.264 8.264 8.200 0.064 18219 9484 1 19 . 1 1 34 34 GLY N N 25 108.563 108.563 108.563 0.000 18219 9485 1 19 . 1 1 34 34 GLY C C 25 171.701 171.701 174.108 -2.407 18219 9486 1 19 . 1 1 34 34 GLY CA C 25 44.600 44.600 44.359 0.241 18219 9487 1 19 . 1 1 34 34 GLY H H 25 8.208 8.208 7.988 0.220 18219 9488 1 19 . 1 1 35 35 VAL N N 26 121.164 121.164 120.619 0.545 18219 9489 1 19 . 1 1 35 35 VAL HA H 26 4.010 4.010 4.076 -0.066 18219 9490 1 19 . 1 1 35 35 VAL C C 26 175.888 175.888 175.833 0.055 18219 9491 1 19 . 1 1 35 35 VAL CA C 26 63.900 63.900 64.005 -0.105 18219 9492 1 19 . 1 1 35 35 VAL CB C 26 30.690 30.690 30.791 -0.101 18219 9493 1 19 . 1 1 35 35 VAL H H 26 8.485 8.485 8.282 0.203 18219 9494 1 19 . 1 1 36 36 PRO C C 27 177.660 177.660 176.473 1.187 18219 9495 1 19 . 1 1 36 36 PRO CA C 27 61.847 61.847 62.204 -0.357 18219 9496 1 19 . 1 1 37 37 SER N N 28 116.023 116.023 112.641 3.382 18219 9497 1 19 . 1 1 37 37 SER HA H 28 4.280 4.280 4.502 -0.222 18219 9498 1 19 . 1 1 37 37 SER CA C 28 61.100 61.100 59.829 1.271 18219 9499 1 19 . 1 1 37 37 SER H H 28 7.948 7.948 8.522 -0.574 18219 9500 1 19 . 1 1 38 38 LEU N N 29 124.029 124.029 121.777 2.252 18219 9501 1 19 . 1 1 38 38 LEU HA H 29 4.170 4.170 3.985 0.185 18219 9502 1 19 . 1 1 38 38 LEU C C 29 176.132 176.132 178.747 -2.615 18219 9503 1 19 . 1 1 38 38 LEU CA C 29 57.500 57.500 58.319 -0.819 18219 9504 1 19 . 1 1 38 38 LEU CB C 29 42.038 42.038 40.927 1.111 18219 9505 1 19 . 1 1 38 38 LEU H H 29 8.201 8.201 7.984 0.217 18219 9506 1 19 . 1 1 39 39 ILE N N 30 117.098 117.098 119.124 -2.026 18219 9507 1 19 . 1 1 39 39 ILE HA H 30 4.370 4.370 3.887 0.483 18219 9508 1 19 . 1 1 39 39 ILE C C 30 176.478 176.478 177.314 -0.836 18219 9509 1 19 . 1 1 39 39 ILE CA C 30 63.079 63.079 62.730 0.349 18219 9510 1 19 . 1 1 39 39 ILE CB C 30 36.973 36.973 37.095 -0.122 18219 9511 1 19 . 1 1 39 39 ILE H H 30 7.662 7.662 8.148 -0.486 18219 9512 1 19 . 1 1 40 40 ALA N N 31 122.447 122.447 122.815 -0.368 18219 9513 1 19 . 1 1 40 40 ALA HA H 31 4.034 4.034 4.062 -0.028 18219 9514 1 19 . 1 1 40 40 ALA C C 31 177.067 177.067 179.498 -2.431 18219 9515 1 19 . 1 1 40 40 ALA CA C 31 55.962 55.962 55.258 0.704 18219 9516 1 19 . 1 1 40 40 ALA CB C 31 17.856 17.856 18.137 -0.281 18219 9517 1 19 . 1 1 40 40 ALA H H 31 8.096 8.096 8.183 -0.087 18219 9518 1 19 . 1 1 41 41 GLY N N 32 104.056 104.056 108.053 -3.997 18219 9519 1 19 . 1 1 41 41 GLY C C 32 174.251 174.251 175.757 -1.506 18219 9520 1 19 . 1 1 41 41 GLY CA C 32 46.500 46.500 46.756 -0.256 18219 9521 1 19 . 1 1 41 41 GLY H H 32 8.123 8.123 8.271 -0.148 18219 9522 1 19 . 1 1 42 42 LEU N N 33 123.250 123.250 123.315 -0.065 18219 9523 1 19 . 1 1 42 42 LEU HA H 33 3.857 3.857 3.981 -0.124 18219 9524 1 19 . 1 1 42 42 LEU C C 33 176.033 176.033 178.446 -2.413 18219 9525 1 19 . 1 1 42 42 LEU CA C 33 56.668 56.668 58.353 -1.685 18219 9526 1 19 . 1 1 42 42 LEU CB C 33 41.721 41.721 42.054 -0.333 18219 9527 1 19 . 1 1 42 42 LEU H H 33 7.914 7.914 8.238 -0.324 18219 9528 1 19 . 1 1 43 43 PHE N N 34 119.757 119.757 118.748 1.009 18219 9529 1 19 . 1 1 43 43 PHE HA H 34 4.200 4.200 4.058 0.142 18219 9530 1 19 . 1 1 43 43 PHE C C 34 174.374 174.374 177.243 -2.869 18219 9531 1 19 . 1 1 43 43 PHE CA C 34 59.876 59.876 61.985 -2.109 18219 9532 1 19 . 1 1 43 43 PHE CB C 34 38.834 38.834 38.778 0.056 18219 9533 1 19 . 1 1 43 43 PHE H H 34 8.287 8.287 8.260 0.027 18219 9534 1 19 . 1 1 44 44 VAL N N 35 117.791 117.791 119.088 -1.297 18219 9535 1 19 . 1 1 44 44 VAL HA H 35 3.610 3.610 3.561 0.049 18219 9536 1 19 . 1 1 44 44 VAL C C 35 176.205 176.205 178.472 -2.267 18219 9537 1 19 . 1 1 44 44 VAL CA C 35 64.559 64.559 66.810 -2.251 18219 9538 1 19 . 1 1 44 44 VAL CB C 35 31.432 31.432 31.415 0.017 18219 9539 1 19 . 1 1 44 44 VAL H H 35 8.235 8.235 8.121 0.114 18219 9540 1 19 . 1 1 45 45 GLY N N 36 108.551 108.551 106.794 1.757 18219 9541 1 19 . 1 1 45 45 GLY C C 36 173.749 173.749 176.035 -2.286 18219 9542 1 19 . 1 1 45 45 GLY CA C 36 46.083 46.083 47.097 -1.014 18219 9543 1 19 . 1 1 45 45 GLY H H 36 8.178 8.178 8.562 -0.384 18219 9544 1 19 . 1 1 46 46 CYS N N 37 121.173 121.173 122.504 -1.331 18219 9545 1 19 . 1 1 46 46 CYS HA H 37 4.180 4.180 4.091 0.089 18219 9546 1 19 . 1 1 46 46 CYS C C 37 173.710 173.710 176.627 -2.917 18219 9547 1 19 . 1 1 46 46 CYS CA C 37 63.000 63.000 64.266 -1.266 18219 9548 1 19 . 1 1 46 46 CYS CB C 37 60.283 60.283 27.747 32.535 18219 9549 1 19 . 1 1 46 46 CYS H H 37 8.253 8.253 8.159 0.094 18219 9550 1 19 . 1 1 47 47 LEU N N 38 120.283 120.283 120.249 0.034 18219 9551 1 19 . 1 1 47 47 LEU HA H 38 4.060 4.060 3.974 0.086 18219 9552 1 19 . 1 1 47 47 LEU C C 38 176.679 176.679 178.153 -1.474 18219 9553 1 19 . 1 1 47 47 LEU CA C 38 56.027 56.027 58.143 -2.116 18219 9554 1 19 . 1 1 47 47 LEU CB C 38 41.464 41.464 40.615 0.849 18219 9555 1 19 . 1 1 47 47 LEU H H 38 7.965 7.965 8.419 -0.454 18219 9556 1 19 . 1 1 48 48 ALA N N 39 122.249 122.249 122.071 0.178 18219 9557 1 19 . 1 1 48 48 ALA HA H 39 4.142 4.142 3.964 0.178 18219 9558 1 19 . 1 1 48 48 ALA C C 39 177.915 177.915 179.404 -1.489 18219 9559 1 19 . 1 1 48 48 ALA CA C 39 53.717 53.717 55.204 -1.487 18219 9560 1 19 . 1 1 48 48 ALA CB C 39 17.985 17.985 18.064 -0.080 18219 9561 1 19 . 1 1 48 48 ALA H H 39 8.066 8.066 8.097 -0.031 18219 9562 1 19 . 1 1 49 49 GLY N N 40 107.377 107.377 107.590 -0.213 18219 9563 1 19 . 1 1 49 49 GLY C C 40 172.527 172.527 175.541 -3.014 18219 9564 1 19 . 1 1 49 49 GLY CA C 40 45.450 45.450 46.659 -1.209 18219 9565 1 19 . 1 1 49 49 GLY H H 40 8.172 8.172 8.128 0.044 18219 9566 1 19 . 1 1 50 50 TYR N N 41 122.409 122.409 123.718 -1.309 18219 9567 1 19 . 1 1 50 50 TYR HA H 41 3.799 3.799 3.967 -0.168 18219 9568 1 19 . 1 1 50 50 TYR C C 41 174.208 174.208 177.416 -3.208 18219 9569 1 19 . 1 1 50 50 TYR CA C 41 59.245 59.245 61.317 -2.072 18219 9570 1 19 . 1 1 50 50 TYR CB C 41 37.936 37.936 38.525 -0.589 18219 9571 1 19 . 1 1 50 50 TYR H H 41 7.800 7.800 8.598 -0.798 18219 9572 1 19 . 1 1 51 51 GLY N N 42 106.935 106.935 105.046 1.889 18219 9573 1 19 . 1 1 51 51 GLY C C 42 172.642 172.642 175.536 -2.894 18219 9574 1 19 . 1 1 51 51 GLY CA C 42 46.265 46.265 45.581 0.684 18219 9575 1 19 . 1 1 51 51 GLY H H 42 8.199 8.199 8.164 0.035 18219 9576 1 19 . 1 1 52 52 ALA N N 43 123.018 123.018 126.592 -3.574 18219 9577 1 19 . 1 1 52 52 ALA HA H 43 4.150 4.150 4.011 0.139 18219 9578 1 19 . 1 1 52 52 ALA C C 43 176.398 176.398 179.775 -3.377 18219 9579 1 19 . 1 1 52 52 ALA CA C 43 52.883 52.883 54.463 -1.580 18219 9580 1 19 . 1 1 52 52 ALA CB C 43 18.241 18.241 18.215 0.026 18219 9581 1 19 . 1 1 52 52 ALA H H 43 7.758 7.758 8.275 -0.517 18219 9582 1 19 . 1 1 53 53 TYR N N 44 119.664 119.664 118.673 0.991 18219 9583 1 19 . 1 1 53 53 TYR HA H 44 4.318 4.318 4.024 0.294 18219 9584 1 19 . 1 1 53 53 TYR C C 44 174.180 174.180 178.472 -4.292 18219 9585 1 19 . 1 1 53 53 TYR CA C 44 58.593 58.593 62.309 -3.716 18219 9586 1 19 . 1 1 53 53 TYR CB C 44 38.192 38.192 38.244 -0.052 18219 9587 1 19 . 1 1 53 53 TYR H H 44 7.920 7.920 8.370 -0.450 18219 9588 1 19 . 1 1 54 54 ARG N N 45 119.516 119.516 116.080 3.436 18219 9589 1 19 . 1 1 54 54 ARG HA H 45 3.930 3.930 4.255 -0.325 18219 9590 1 19 . 1 1 54 54 ARG C C 45 174.423 174.423 176.357 -1.934 18219 9591 1 19 . 1 1 54 54 ARG CA C 45 56.027 56.027 57.122 -1.095 18219 9592 1 19 . 1 1 54 54 ARG CB C 45 30.173 30.173 31.642 -1.468 18219 9593 1 19 . 1 1 54 54 ARG H H 45 7.956 7.956 8.073 -0.117 18219 9594 1 19 . 1 1 55 55 VAL N N 46 116.437 116.437 115.953 0.484 18219 9595 1 19 . 1 1 55 55 VAL HA H 46 4.060 4.060 3.674 0.386 18219 9596 1 19 . 1 1 55 55 VAL C C 46 173.806 173.806 174.009 -0.203 18219 9597 1 19 . 1 1 55 55 VAL CA C 46 62.300 62.300 64.047 -1.747 18219 9598 1 19 . 1 1 55 55 VAL CB C 46 31.521 31.521 31.557 -0.036 18219 9599 1 19 . 1 1 55 55 VAL H H 46 7.489 7.489 7.936 -0.447 18219 9600 1 19 . 1 1 56 56 SER N N 47 117.185 117.185 113.741 3.444 18219 9601 1 19 . 1 1 56 56 SER HA H 47 4.401 4.401 4.648 -0.247 18219 9602 1 19 . 1 1 56 56 SER C C 47 172.074 172.074 173.379 -1.305 18219 9603 1 19 . 1 1 56 56 SER CA C 47 58.133 58.133 57.607 0.526 18219 9604 1 19 . 1 1 56 56 SER CB C 47 63.468 63.468 64.006 -0.538 18219 9605 1 19 . 1 1 56 56 SER H H 47 7.728 7.728 7.999 -0.271 18219 9606 1 19 . 1 1 57 57 ASN N N 48 121.049 121.049 122.737 -1.688 18219 9607 1 19 . 1 1 57 57 ASN HA H 48 4.590 4.590 4.714 -0.124 18219 9608 1 19 . 1 1 57 57 ASN CA C 48 53.600 53.600 54.681 -1.081 18219 9609 1 19 . 1 1 57 57 ASN CB C 48 38.641 38.641 38.954 -0.313 18219 9610 1 19 . 1 1 57 57 ASN H H 48 8.228 8.228 8.773 -0.545 18219 9611 1 19 . 1 1 58 58 ASP N N 49 120.276 120.276 118.104 2.172 18219 9612 1 19 . 1 1 58 58 ASP HA H 49 4.530 4.530 4.673 -0.143 18219 9613 1 19 . 1 1 58 58 ASP CA C 49 54.202 54.202 55.238 -1.036 18219 9614 1 19 . 1 1 58 58 ASP CB C 49 40.374 40.374 41.997 -1.623 18219 9615 1 19 . 1 1 58 58 ASP H H 49 8.192 8.192 8.269 -0.077 18219 9616 1 19 . 1 1 59 59 LYS N N 50 120.660 120.660 117.639 3.021 18219 9617 1 19 . 1 1 59 59 LYS HA H 50 4.200 4.200 4.476 -0.276 18219 9618 1 19 . 1 1 59 59 LYS C C 50 173.474 173.474 175.678 -2.204 18219 9619 1 19 . 1 1 59 59 LYS CA C 50 56.300 56.300 55.205 1.095 18219 9620 1 19 . 1 1 59 59 LYS CB C 50 32.034 32.034 34.638 -2.604 18219 9621 1 19 . 1 1 59 59 LYS H H 50 8.003 8.003 7.533 0.470 18219 9622 1 19 . 1 1 60 60 ARG N N 51 121.278 121.278 118.968 2.310 18219 9623 1 19 . 1 1 60 60 ARG HA H 51 4.200 4.200 3.974 0.226 18219 9624 1 19 . 1 1 60 60 ARG C C 51 173.303 173.303 176.498 -3.195 18219 9625 1 19 . 1 1 60 60 ARG CA C 51 56.283 56.283 58.358 -2.075 18219 9626 1 19 . 1 1 60 60 ARG CB C 51 30.238 30.238 30.224 0.014 18219 9627 1 19 . 1 1 60 60 ARG H H 51 8.091 8.091 8.473 -0.382 18219 9628 1 19 . 1 1 61 61 ASP N N 52 121.185 121.185 113.451 7.734 18219 9629 1 19 . 1 1 61 61 ASP HA H 52 4.615 4.615 4.658 -0.043 18219 9630 1 19 . 1 1 61 61 ASP C C 52 173.777 173.777 177.853 -4.076 18219 9631 1 19 . 1 1 61 61 ASP CA C 52 53.979 53.979 55.852 -1.873 18219 9632 1 19 . 1 1 61 61 ASP CB C 52 40.245 40.245 41.614 -1.369 18219 9633 1 19 . 1 1 61 61 ASP H H 52 8.261 8.261 8.084 0.177 18219 9634 1 19 . 1 1 62 62 VAL N N 53 121.902 121.902 121.381 0.521 18219 9635 1 19 . 1 1 62 62 VAL HA H 53 3.950 3.950 3.828 0.122 18219 9636 1 19 . 1 1 62 62 VAL C C 53 173.279 173.279 177.342 -4.063 18219 9637 1 19 . 1 1 62 62 VAL CA C 53 63.176 63.176 66.678 -3.502 18219 9638 1 19 . 1 1 62 62 VAL CB C 53 32.099 32.099 31.696 0.403 18219 9639 1 19 . 1 1 62 62 VAL H H 53 7.997 7.997 8.090 -0.093 18219 9640 1 19 . 1 1 63 63 LYS N N 54 123.522 123.522 119.912 3.610 18219 9641 1 19 . 1 1 63 63 LYS HA H 54 4.260 4.260 4.071 0.189 18219 9642 1 19 . 1 1 63 63 LYS C C 54 174.481 174.481 178.601 -4.120 18219 9643 1 19 . 1 1 63 63 LYS CA C 54 56.347 56.347 59.643 -3.296 18219 9644 1 19 . 1 1 63 63 LYS CB C 54 32.099 32.099 32.001 0.098 18219 9645 1 19 . 1 1 63 63 LYS H H 54 8.054 8.054 8.107 -0.053 18219 9646 1 19 . 1 1 64 64 VAL N N 55 120.647 120.647 117.730 2.917 18219 9647 1 19 . 1 1 64 64 VAL HA H 55 3.947 3.947 3.926 0.021 18219 9648 1 19 . 1 1 64 64 VAL C C 55 174.955 174.955 177.557 -2.602 18219 9649 1 19 . 1 1 64 64 VAL CA C 55 64.600 64.600 65.067 -0.466 18219 9650 1 19 . 1 1 64 64 VAL CB C 55 31.877 31.877 30.922 0.955 18219 9651 1 19 . 1 1 64 64 VAL H H 55 8.225 8.225 7.835 0.390 18219 9652 1 19 . 1 1 65 65 SER N N 56 117.785 117.785 116.547 1.238 18219 9653 1 19 . 1 1 65 65 SER HA H 56 4.390 4.390 4.109 0.281 18219 9654 1 19 . 1 1 65 65 SER C C 56 172.300 172.300 176.385 -4.085 18219 9655 1 19 . 1 1 65 65 SER CA C 56 60.000 60.000 62.047 -2.047 18219 9656 1 19 . 1 1 65 65 SER CB C 56 62.879 62.879 63.037 -0.158 18219 9657 1 19 . 1 1 65 65 SER H H 56 8.260 8.260 7.908 0.352 18219 9658 1 19 . 1 1 66 66 LEU N N 57 123.318 123.318 122.343 0.975 18219 9659 1 19 . 1 1 66 66 LEU HA H 57 4.090 4.090 4.187 -0.097 18219 9660 1 19 . 1 1 66 66 LEU C C 57 175.932 175.932 178.204 -2.272 18219 9661 1 19 . 1 1 66 66 LEU CA C 57 57.502 57.502 57.855 -0.353 18219 9662 1 19 . 1 1 66 66 LEU CB C 57 41.721 41.721 41.086 0.635 18219 9663 1 19 . 1 1 66 66 LEU H H 57 8.091 8.091 8.167 -0.076 18219 9664 1 19 . 1 1 67 67 PHE N N 58 118.020 118.020 118.960 -0.940 18219 9665 1 19 . 1 1 67 67 PHE HA H 58 4.330 4.330 4.077 0.253 18219 9666 1 19 . 1 1 67 67 PHE C C 58 174.912 174.912 177.771 -2.859 18219 9667 1 19 . 1 1 67 67 PHE CA C 58 60.600 60.600 61.882 -1.282 18219 9668 1 19 . 1 1 67 67 PHE CB C 58 38.552 38.552 39.024 -0.472 18219 9669 1 19 . 1 1 67 67 PHE H H 58 8.066 8.066 8.481 -0.415 18219 9670 1 19 . 1 1 68 68 THR N N 59 115.324 115.324 116.718 -1.394 18219 9671 1 19 . 1 1 68 68 THR HA H 59 4.310 4.310 4.039 0.271 18219 9672 1 19 . 1 1 68 68 THR C C 59 173.380 173.380 176.129 -2.749 18219 9673 1 19 . 1 1 68 68 THR CA C 59 66.313 66.313 67.317 -1.004 18219 9674 1 19 . 1 1 68 68 THR CB C 59 67.700 67.700 68.928 -1.228 18219 9675 1 19 . 1 1 68 68 THR H H 59 8.287 8.287 8.229 0.058 18219 9676 1 19 . 1 1 69 69 ALA N N 60 123.621 123.621 124.915 -1.294 18219 9677 1 19 . 1 1 69 69 ALA HA H 60 4.280 4.280 4.074 0.206 18219 9678 1 19 . 1 1 69 69 ALA C C 60 176.978 176.978 179.875 -2.897 18219 9679 1 19 . 1 1 69 69 ALA CA C 60 55.100 55.100 55.218 -0.118 18219 9680 1 19 . 1 1 69 69 ALA CB C 60 17.728 17.728 18.278 -0.550 18219 9681 1 19 . 1 1 69 69 ALA H H 60 7.983 7.983 8.102 -0.119 18219 9682 1 19 . 1 1 70 70 PHE N N 61 118.520 118.520 118.351 0.169 18219 9683 1 19 . 1 1 70 70 PHE HA H 61 4.260 4.260 4.172 0.088 18219 9684 1 19 . 1 1 70 70 PHE C C 61 175.369 175.369 177.328 -1.959 18219 9685 1 19 . 1 1 70 70 PHE CA C 61 60.179 60.179 61.094 -0.915 18219 9686 1 19 . 1 1 70 70 PHE CB C 61 38.706 38.706 39.075 -0.369 18219 9687 1 19 . 1 1 70 70 PHE H H 61 8.007 8.007 8.424 -0.417 18219 9688 1 19 . 1 1 71 71 PHE N N 62 122.314 122.314 120.587 1.727 18219 9689 1 19 . 1 1 71 71 PHE HA H 62 4.000 4.000 3.994 0.006 18219 9690 1 19 . 1 1 71 71 PHE C C 62 174.697 174.697 177.384 -2.687 18219 9691 1 19 . 1 1 71 71 PHE CA C 62 60.517 60.517 61.967 -1.450 18219 9692 1 19 . 1 1 71 71 PHE CB C 62 38.770 38.770 39.029 -0.259 18219 9693 1 19 . 1 1 71 71 PHE H H 62 8.546 8.546 8.070 0.476 18219 9694 1 19 . 1 1 72 72 LEU N N 63 119.399 119.399 120.007 -0.608 18219 9695 1 19 . 1 1 72 72 LEU HA H 63 3.870 3.870 4.071 -0.201 18219 9696 1 19 . 1 1 72 72 LEU C C 63 175.774 175.774 178.981 -3.207 18219 9697 1 19 . 1 1 72 72 LEU CA C 63 56.925 56.925 57.827 -0.902 18219 9698 1 19 . 1 1 72 72 LEU CB C 63 41.207 41.207 40.626 0.581 18219 9699 1 19 . 1 1 72 72 LEU H H 63 8.396 8.396 8.816 -0.420 18219 9700 1 19 . 1 1 73 73 ALA N N 64 120.221 120.221 121.059 -0.838 18219 9701 1 19 . 1 1 73 73 ALA HA H 64 3.960 3.960 3.870 0.090 18219 9702 1 19 . 1 1 73 73 ALA C C 64 177.267 177.267 179.501 -2.234 18219 9703 1 19 . 1 1 73 73 ALA CA C 64 54.600 54.600 55.282 -0.682 18219 9704 1 19 . 1 1 73 73 ALA CB C 64 17.784 17.784 18.032 -0.247 18219 9705 1 19 . 1 1 73 73 ALA H H 64 8.025 8.025 8.268 -0.243 18219 9706 1 19 . 1 1 74 74 THR N N 65 113.648 113.648 115.475 -1.827 18219 9707 1 19 . 1 1 74 74 THR HA H 65 3.980 3.980 3.884 0.096 18219 9708 1 19 . 1 1 74 74 THR CA C 65 66.291 66.291 67.258 -0.967 18219 9709 1 19 . 1 1 74 74 THR CB C 65 67.914 67.914 68.665 -0.750 18219 9710 1 19 . 1 1 74 74 THR H H 65 7.717 7.717 7.663 0.054 18219 9711 1 19 . 1 1 75 75 ILE N N 66 120.291 120.291 121.242 -0.951 18219 9712 1 19 . 1 1 75 75 ILE HA H 66 3.740 3.740 3.570 0.170 18219 9713 1 19 . 1 1 75 75 ILE C C 66 174.951 174.951 177.747 -2.796 18219 9714 1 19 . 1 1 75 75 ILE CA C 66 64.880 64.880 64.327 0.553 18219 9715 1 19 . 1 1 75 75 ILE CB C 66 37.166 37.166 37.344 -0.178 18219 9716 1 19 . 1 1 75 75 ILE H H 66 7.738 7.738 8.253 -0.515 18219 9717 1 19 . 1 1 76 76 MET N N 67 117.618 117.618 117.037 0.581 18219 9718 1 19 . 1 1 76 76 MET HA H 67 4.220 4.220 4.245 -0.025 18219 9719 1 19 . 1 1 76 76 MET C C 67 175.142 175.142 176.936 -1.794 18219 9720 1 19 . 1 1 76 76 MET CA C 67 56.723 56.723 57.900 -1.177 18219 9721 1 19 . 1 1 76 76 MET CB C 67 31.951 31.951 33.959 -2.008 18219 9722 1 19 . 1 1 76 76 MET H H 67 7.823 7.823 8.521 -0.698 18219 9723 1 19 . 1 1 77 77 GLY N N 68 107.110 107.110 104.592 2.518 18219 9724 1 19 . 1 1 77 77 GLY C C 68 172.260 172.260 174.767 -2.507 18219 9725 1 19 . 1 1 77 77 GLY CA C 68 45.800 45.800 44.776 1.024 18219 9726 1 19 . 1 1 77 77 GLY H H 68 7.937 7.937 8.066 -0.129 18219 9727 1 19 . 1 1 78 78 VAL N N 69 120.431 120.431 119.534 0.897 18219 9728 1 19 . 1 1 78 78 VAL HA H 69 4.220 4.220 3.829 0.391 18219 9729 1 19 . 1 1 78 78 VAL CA C 69 63.900 63.900 64.337 -0.437 18219 9730 1 19 . 1 1 78 78 VAL CB C 69 31.506 31.506 32.079 -0.573 18219 9731 1 19 . 1 1 78 78 VAL H H 69 7.697 7.697 8.429 -0.732 18219 9732 1 19 . 1 1 79 79 ARG N N 70 121.420 121.420 121.387 0.033 18219 9733 1 19 . 1 1 79 79 ARG HA H 70 3.810 3.810 4.103 -0.293 18219 9734 1 19 . 1 1 79 79 ARG CA C 70 56.400 56.400 56.911 -0.511 18219 9735 1 19 . 1 1 79 79 ARG CB C 70 30.097 30.097 28.643 1.454 18219 9736 1 19 . 1 1 79 79 ARG H H 70 7.889 7.889 7.934 -0.045 18219 9737 1 19 . 1 1 80 80 PHE N N 71 119.949 119.949 125.440 -5.491 18219 9738 1 19 . 1 1 80 80 PHE HA H 71 4.510 4.510 4.535 -0.025 18219 9739 1 19 . 1 1 80 80 PHE CA C 71 58.600 58.600 58.298 0.302 18219 9740 1 19 . 1 1 80 80 PHE CB C 71 39.145 39.145 40.712 -1.567 18219 9741 1 19 . 1 1 80 80 PHE H H 71 8.101 8.101 7.965 0.136 18219 9742 1 19 . 1 1 81 81 LYS N N 72 122.193 122.193 123.615 -1.422 18219 9743 1 19 . 1 1 81 81 LYS CA C 72 56.800 56.800 58.147 -1.347 18219 9744 1 19 . 1 1 81 81 LYS CB C 72 32.322 32.322 32.307 0.015 18219 9745 1 19 . 1 1 81 81 LYS H H 72 8.090 8.090 8.295 -0.205 18219 9746 1 19 . 1 1 82 82 ARG N N 73 119.650 119.650 117.796 1.854 18219 9747 1 19 . 1 1 82 82 ARG CA C 73 56.089 56.089 55.595 0.494 18219 9748 1 19 . 1 1 82 82 ARG CB C 73 30.171 30.171 32.484 -2.313 18219 9749 1 19 . 1 1 82 82 ARG H H 73 8.052 8.052 8.174 -0.122 18219 9750 1 19 . 1 1 83 83 SER N N 74 115.734 115.734 116.917 -1.183 18219 9751 1 19 . 1 1 83 83 SER CA C 74 58.355 58.355 58.746 -0.391 18219 9752 1 19 . 1 1 83 83 SER CB C 74 63.404 63.404 65.126 -1.722 18219 9753 1 19 . 1 1 83 83 SER H H 74 7.912 7.912 8.476 -0.564 18219 9754 1 19 . 1 1 84 84 LYS N N 75 122.370 122.370 121.623 0.747 18219 9755 1 19 . 1 1 84 84 LYS CA C 75 56.135 56.135 56.877 -0.742 18219 9756 1 19 . 1 1 84 84 LYS CB C 75 32.175 32.175 31.860 0.315 18219 9757 1 19 . 1 1 84 84 LYS H H 75 8.067 8.067 8.224 -0.157 18219 9758 1 19 . 1 1 86 86 ILE N N 77 119.592 119.592 115.972 3.620 18219 9759 1 19 . 1 1 86 86 ILE HA H 77 3.810 3.810 4.086 -0.276 18219 9760 1 19 . 1 1 86 86 ILE CA C 77 64.900 64.900 62.561 2.339 18219 9761 1 19 . 1 1 86 86 ILE CB C 77 39.145 39.145 38.612 0.533 18219 9762 1 19 . 1 1 86 86 ILE H H 77 7.837 7.837 7.682 0.155 18219 9763 1 19 . 1 1 87 87 MET N N 78 121.645 121.645 118.577 3.068 18219 9764 1 19 . 1 1 87 87 MET CA C 78 52.982 52.982 58.278 -5.296 18219 9765 1 19 . 1 1 87 87 MET CB C 78 32.173 32.173 31.621 0.552 18219 9766 1 19 . 1 1 87 87 MET H H 78 7.950 7.950 8.286 -0.336 18219 9767 1 19 . 1 1 88 88 PRO HA H 79 4.140 4.140 4.430 -0.290 18219 9768 1 19 . 1 1 88 88 PRO C C 79 173.921 173.921 177.520 -3.599 18219 9769 1 19 . 1 1 88 88 PRO CA C 79 62.800 62.800 64.530 -1.730 18219 9770 1 19 . 1 1 88 88 PRO CB C 79 31.136 31.136 32.072 -0.936 18219 9771 1 19 . 1 1 89 89 ALA N N 80 124.431 124.431 119.356 5.075 18219 9772 1 19 . 1 1 89 89 ALA HA H 80 4.400 4.400 4.016 0.384 18219 9773 1 19 . 1 1 89 89 ALA C C 80 176.234 176.234 179.807 -3.573 18219 9774 1 19 . 1 1 89 89 ALA CA C 80 53.300 53.300 54.570 -1.270 18219 9775 1 19 . 1 1 89 89 ALA CB C 80 18.498 18.498 17.145 1.353 18219 9776 1 19 . 1 1 89 89 ALA H H 80 8.320 8.320 8.362 -0.042 18219 9777 1 19 . 1 1 90 90 GLY N N 81 106.834 106.834 106.423 0.411 18219 9778 1 19 . 1 1 90 90 GLY C C 81 172.398 172.398 175.507 -3.109 18219 9779 1 19 . 1 1 90 90 GLY CA C 81 45.600 45.600 46.386 -0.786 18219 9780 1 19 . 1 1 90 90 GLY H H 81 8.458 8.458 8.634 -0.176 18219 9781 1 19 . 1 1 91 91 LEU N N 82 121.043 121.043 121.099 -0.056 18219 9782 1 19 . 1 1 91 91 LEU HA H 82 4.200 4.200 4.138 0.062 18219 9783 1 19 . 1 1 91 91 LEU C C 82 174.783 174.783 179.031 -4.248 18219 9784 1 19 . 1 1 91 91 LEU CA C 82 56.300 56.300 57.932 -1.632 18219 9785 1 19 . 1 1 91 91 LEU CB C 82 42.106 42.106 41.431 0.674 18219 9786 1 19 . 1 1 91 91 LEU H H 82 7.687 7.687 7.979 -0.292 18219 9787 1 19 . 1 1 92 92 VAL N N 83 114.737 114.737 118.915 -4.178 18219 9788 1 19 . 1 1 92 92 VAL HA H 83 3.980 3.980 3.670 0.310 18219 9789 1 19 . 1 1 92 92 VAL C C 83 173.634 173.634 177.771 -4.137 18219 9790 1 19 . 1 1 92 92 VAL CA C 83 62.400 62.400 66.920 -4.520 18219 9791 1 19 . 1 1 92 92 VAL CB C 83 31.585 31.585 31.357 0.228 18219 9792 1 19 . 1 1 92 92 VAL H H 83 7.602 7.602 7.929 -0.327 18219 9793 1 19 . 1 1 93 93 ALA N N 84 124.320 124.320 121.201 3.119 18219 9794 1 19 . 1 1 93 93 ALA HA H 84 4.150 4.150 3.970 0.180 18219 9795 1 19 . 1 1 93 93 ALA C C 84 175.746 175.746 179.949 -4.203 18219 9796 1 19 . 1 1 93 93 ALA CA C 84 53.300 53.300 55.270 -1.970 18219 9797 1 19 . 1 1 93 93 ALA CB C 84 18.241 18.241 17.882 0.359 18219 9798 1 19 . 1 1 93 93 ALA H H 84 7.891 7.891 8.166 -0.275 18219 9799 1 19 . 1 1 94 94 GLY N N 85 106.807 106.807 107.157 -0.350 18219 9800 1 19 . 1 1 94 94 GLY C C 85 171.752 171.752 175.881 -4.129 18219 9801 1 19 . 1 1 94 94 GLY CA C 85 45.249 45.249 46.554 -1.305 18219 9802 1 19 . 1 1 94 94 GLY H H 85 8.204 8.204 7.984 0.220 18219 9803 1 19 . 1 1 95 95 LEU N N 86 121.266 121.266 121.692 -0.426 18219 9804 1 19 . 1 1 95 95 LEU HA H 86 4.380 4.380 4.092 0.288 18219 9805 1 19 . 1 1 95 95 LEU C C 86 173.702 173.702 179.428 -5.726 18219 9806 1 19 . 1 1 95 95 LEU CA C 86 55.000 55.000 57.561 -2.561 18219 9807 1 19 . 1 1 95 95 LEU CB C 86 42.298 42.298 41.157 1.141 18219 9808 1 19 . 1 1 95 95 LEU H H 86 7.718 7.718 7.977 -0.259 18219 9809 1 19 . 1 1 96 96 SER N N 87 115.658 115.658 115.489 0.169 18219 9810 1 19 . 1 1 96 96 SER HA H 87 4.370 4.370 4.144 0.226 18219 9811 1 19 . 1 1 96 96 SER C C 87 172.479 172.479 176.691 -4.212 18219 9812 1 19 . 1 1 96 96 SER CA C 87 57.200 57.200 62.110 -4.910 18219 9813 1 19 . 1 1 96 96 SER CB C 87 64.174 64.174 63.190 0.984 18219 9814 1 19 . 1 1 96 96 SER H H 87 7.659 7.659 8.170 -0.511 18219 9815 1 19 . 1 1 97 97 LEU N N 88 123.720 123.720 122.663 1.057 18219 9816 1 19 . 1 1 97 97 LEU HA H 88 4.600 4.600 3.998 0.602 18219 9817 1 19 . 1 1 97 97 LEU C C 88 175.932 175.932 178.947 -3.015 18219 9818 1 19 . 1 1 97 97 LEU CA C 88 57.600 57.600 57.712 -0.112 18219 9819 1 19 . 1 1 97 97 LEU CB C 88 41.400 41.400 42.009 -0.609 18219 9820 1 19 . 1 1 97 97 LEU H H 88 8.733 8.733 8.174 0.559 18219 9821 1 19 . 1 1 98 98 MET N N 89 116.684 116.684 119.917 -3.233 18219 9822 1 19 . 1 1 98 98 MET HA H 89 4.280 4.280 4.166 0.114 18219 9823 1 19 . 1 1 98 98 MET C C 89 175.789 175.789 178.007 -2.218 18219 9824 1 19 . 1 1 98 98 MET CA C 89 56.915 56.915 58.663 -1.748 18219 9825 1 19 . 1 1 98 98 MET CB C 89 31.007 31.007 32.647 -1.640 18219 9826 1 19 . 1 1 98 98 MET H H 89 8.342 8.342 8.121 0.221 18219 9827 1 19 . 1 1 99 99 MET N N 90 119.182 119.182 118.527 0.655 18219 9828 1 19 . 1 1 99 99 MET HA H 90 4.110 4.110 4.131 -0.021 18219 9829 1 19 . 1 1 99 99 MET C C 90 175.588 175.588 178.812 -3.224 18219 9830 1 19 . 1 1 99 99 MET CA C 90 57.951 57.951 58.689 -0.738 18219 9831 1 19 . 1 1 99 99 MET CB C 90 32.226 32.226 31.856 0.370 18219 9832 1 19 . 1 1 99 99 MET H H 90 7.720 7.720 8.159 -0.439 18219 9833 1 19 . 1 1 100 100 ILE N N 91 119.077 119.077 120.303 -1.226 18219 9834 1 19 . 1 1 100 100 ILE HA H 91 4.110 4.110 3.827 0.283 18219 9835 1 19 . 1 1 100 100 ILE C C 91 174.634 174.634 177.435 -2.801 18219 9836 1 19 . 1 1 100 100 ILE CA C 91 64.100 64.100 64.738 -0.638 18219 9837 1 19 . 1 1 100 100 ILE CB C 91 37.143 37.143 38.184 -1.041 18219 9838 1 19 . 1 1 100 100 ILE H H 91 7.662 7.662 8.278 -0.616 18219 9839 1 19 . 1 1 101 101 LEU N N 92 119.646 119.646 120.793 -1.147 18219 9840 1 19 . 1 1 101 101 LEU HA H 92 4.530 4.530 3.938 0.592 18219 9841 1 19 . 1 1 101 101 LEU C C 92 175.430 175.430 178.594 -3.164 18219 9842 1 19 . 1 1 101 101 LEU CA C 92 57.800 57.800 57.970 -0.170 18219 9843 1 19 . 1 1 101 101 LEU CB C 92 40.758 40.758 41.764 -1.006 18219 9844 1 19 . 1 1 101 101 LEU H H 92 8.142 8.142 7.753 0.389 18219 9845 1 19 . 1 1 102 102 ARG N N 93 116.394 116.394 118.141 -1.747 18219 9846 1 19 . 1 1 102 102 ARG HA H 93 4.140 4.140 4.271 -0.131 18219 9847 1 19 . 1 1 102 102 ARG C C 93 175.961 175.961 178.470 -2.509 18219 9848 1 19 . 1 1 102 102 ARG CA C 93 59.100 59.100 58.462 0.638 18219 9849 1 19 . 1 1 102 102 ARG CB C 93 29.404 29.404 30.740 -1.336 18219 9850 1 19 . 1 1 102 102 ARG H H 93 7.893 7.893 8.207 -0.314 18219 9851 1 19 . 1 1 103 103 LEU N N 94 119.114 119.114 121.847 -2.733 18219 9852 1 19 . 1 1 103 103 LEU HA H 94 4.110 4.110 4.108 0.002 18219 9853 1 19 . 1 1 103 103 LEU C C 94 175.889 175.889 177.928 -2.039 18219 9854 1 19 . 1 1 103 103 LEU CA C 94 57.300 57.300 57.767 -0.467 18219 9855 1 19 . 1 1 103 103 LEU CB C 94 41.296 41.296 41.884 -0.588 18219 9856 1 19 . 1 1 103 103 LEU H H 94 7.622 7.622 7.737 -0.116 18219 9857 1 19 . 1 1 104 104 VAL N N 95 117.704 117.704 117.746 -0.042 18219 9858 1 19 . 1 1 104 104 VAL HA H 95 3.530 3.530 3.783 -0.253 18219 9859 1 19 . 1 1 104 104 VAL C C 95 175.042 175.042 177.573 -2.531 18219 9860 1 19 . 1 1 104 104 VAL CA C 95 66.419 66.419 64.334 2.085 18219 9861 1 19 . 1 1 104 104 VAL CB C 95 31.357 31.357 31.760 -0.403 18219 9862 1 19 . 1 1 104 104 VAL H H 95 8.026 8.026 8.247 -0.221 18219 9863 1 19 . 1 1 105 105 LEU N N 96 117.185 117.185 116.319 0.866 18219 9864 1 19 . 1 1 105 105 LEU HA H 96 3.980 3.980 4.113 -0.133 18219 9865 1 19 . 1 1 105 105 LEU C C 96 176.579 176.579 178.204 -1.625 18219 9866 1 19 . 1 1 105 105 LEU CA C 96 56.800 56.800 56.357 0.443 18219 9867 1 19 . 1 1 105 105 LEU CB C 96 40.951 40.951 42.094 -1.143 18219 9868 1 19 . 1 1 105 105 LEU H H 96 7.893 7.893 7.685 0.208 18219 9869 1 19 . 1 1 106 106 LEU N N 97 118.471 118.471 118.203 0.268 18219 9870 1 19 . 1 1 106 106 LEU HA H 97 4.180 4.180 3.898 0.282 18219 9871 1 19 . 1 1 106 106 LEU C C 97 175.802 175.802 176.027 -0.225 18219 9872 1 19 . 1 1 106 106 LEU CA C 97 56.300 56.300 55.095 1.205 18219 9873 1 19 . 1 1 106 106 LEU CB C 97 41.592 41.592 40.470 1.122 18219 9874 1 19 . 1 1 106 106 LEU H H 97 7.545 7.545 7.913 -0.368 18219 9875 1 19 . 1 1 107 107 LEU N N 98 118.162 118.162 114.319 3.843 18219 9876 1 19 . 1 1 107 107 LEU HA H 98 4.230 4.230 3.852 0.378 18219 9877 1 19 . 1 1 107 107 LEU C C 98 174.174 174.174 177.566 -3.392 18219 9878 1 19 . 1 1 107 107 LEU CA C 98 56.283 56.283 55.638 0.645 18219 9879 1 19 . 1 1 107 107 LEU CB C 98 42.362 42.362 39.566 2.796 18219 9880 1 19 . 1 1 107 107 LEU H H 98 7.688 7.688 8.282 -0.594 18219 9881 1 20 . 1 1 11 11 ASP N N 2 120.536 120.536 120.905 -0.369 18219 9882 1 20 . 1 1 11 11 ASP CA C 2 55.918 55.918 54.428 1.490 18219 9883 1 20 . 1 1 11 11 ASP CB C 2 37.959 37.959 40.856 -2.897 18219 9884 1 20 . 1 1 11 11 ASP H H 2 7.863 7.863 8.378 -0.515 18219 9885 1 20 . 1 1 12 12 LEU N N 3 121.414 121.414 122.024 -0.610 18219 9886 1 20 . 1 1 12 12 LEU C C 3 176.162 176.162 179.368 -3.206 18219 9887 1 20 . 1 1 12 12 LEU CA C 3 57.600 57.600 56.980 0.620 18219 9888 1 20 . 1 1 12 12 LEU CB C 3 41.657 41.657 41.935 -0.278 18219 9889 1 20 . 1 1 12 12 LEU H H 3 8.285 8.285 7.897 0.388 18219 9890 1 20 . 1 1 13 13 ILE N N 4 118.854 118.854 117.492 1.362 18219 9891 1 20 . 1 1 13 13 ILE HA H 4 3.740 3.740 3.854 -0.114 18219 9892 1 20 . 1 1 13 13 ILE C C 4 175.228 175.228 177.678 -2.450 18219 9893 1 20 . 1 1 13 13 ILE CA C 4 64.500 64.500 63.664 0.836 18219 9894 1 20 . 1 1 13 13 ILE CB C 4 37.102 37.102 37.786 -0.684 18219 9895 1 20 . 1 1 13 13 ILE H H 4 8.031 8.031 7.932 0.099 18219 9896 1 20 . 1 1 14 14 GLY N N 5 107.478 107.478 106.408 1.070 18219 9897 1 20 . 1 1 14 14 GLY C C 5 174.424 174.424 176.009 -1.585 18219 9898 1 20 . 1 1 14 14 GLY CA C 5 47.059 47.059 46.799 0.260 18219 9899 1 20 . 1 1 14 14 GLY H H 5 8.148 8.148 8.268 -0.120 18219 9900 1 20 . 1 1 15 15 PHE N N 6 122.774 122.774 123.806 -1.032 18219 9901 1 20 . 1 1 15 15 PHE HA H 6 4.480 4.480 4.268 0.212 18219 9902 1 20 . 1 1 15 15 PHE C C 6 175.113 175.113 177.202 -2.089 18219 9903 1 20 . 1 1 15 15 PHE CA C 6 60.017 60.017 61.872 -1.855 18219 9904 1 20 . 1 1 15 15 PHE CB C 6 38.774 38.774 38.526 0.248 18219 9905 1 20 . 1 1 15 15 PHE H H 6 8.194 8.194 8.816 -0.622 18219 9906 1 20 . 1 1 16 16 GLY N N 7 107.938 107.938 106.350 1.588 18219 9907 1 20 . 1 1 16 16 GLY C C 7 171.838 171.838 175.665 -3.827 18219 9908 1 20 . 1 1 16 16 GLY CA C 7 47.100 47.100 47.406 -0.306 18219 9909 1 20 . 1 1 16 16 GLY H H 7 8.697 8.697 8.632 0.065 18219 9910 1 20 . 1 1 17 17 TYR N N 8 121.785 121.785 123.362 -1.577 18219 9911 1 20 . 1 1 17 17 TYR HA H 8 4.150 4.150 4.117 0.033 18219 9912 1 20 . 1 1 17 17 TYR C C 8 174.180 174.180 177.597 -3.417 18219 9913 1 20 . 1 1 17 17 TYR CA C 8 61.300 61.300 61.330 -0.030 18219 9914 1 20 . 1 1 17 17 TYR CB C 8 37.959 37.959 38.420 -0.461 18219 9915 1 20 . 1 1 17 17 TYR H H 8 8.710 8.710 8.198 0.512 18219 9916 1 20 . 1 1 18 18 ALA N N 9 120.233 120.233 120.308 -0.075 18219 9917 1 20 . 1 1 18 18 ALA HA H 9 3.950 3.950 4.008 -0.058 18219 9918 1 20 . 1 1 18 18 ALA C C 9 178.059 178.059 178.832 -0.773 18219 9919 1 20 . 1 1 18 18 ALA CA C 9 54.872 54.872 54.431 0.441 18219 9920 1 20 . 1 1 18 18 ALA CB C 9 17.562 17.562 18.023 -0.461 18219 9921 1 20 . 1 1 18 18 ALA H H 9 7.843 7.843 8.253 -0.410 18219 9922 1 20 . 1 1 19 19 ALA N N 10 121.797 121.797 123.088 -1.291 18219 9923 1 20 . 1 1 19 19 ALA HA H 10 3.950 3.950 3.976 -0.026 18219 9924 1 20 . 1 1 19 19 ALA C C 10 176.191 176.191 179.477 -3.286 18219 9925 1 20 . 1 1 19 19 ALA CA C 10 54.600 54.600 54.985 -0.385 18219 9926 1 20 . 1 1 19 19 ALA CB C 10 17.562 17.562 18.289 -0.727 18219 9927 1 20 . 1 1 19 19 ALA H H 10 8.212 8.212 7.972 0.240 18219 9928 1 20 . 1 1 20 20 LEU N N 11 119.442 119.442 117.352 2.090 18219 9929 1 20 . 1 1 20 20 LEU HA H 11 3.937 3.937 3.992 -0.055 18219 9930 1 20 . 1 1 20 20 LEU C C 11 176.694 176.694 178.860 -2.166 18219 9931 1 20 . 1 1 20 20 LEU CA C 11 57.800 57.800 57.947 -0.147 18219 9932 1 20 . 1 1 20 20 LEU CB C 11 41.222 41.222 40.987 0.235 18219 9933 1 20 . 1 1 20 20 LEU H H 11 8.065 8.065 8.143 -0.078 18219 9934 1 20 . 1 1 21 21 VAL N N 12 118.323 118.323 120.750 -2.427 18219 9935 1 20 . 1 1 21 21 VAL HA H 12 3.640 3.640 3.590 0.050 18219 9936 1 20 . 1 1 21 21 VAL C C 12 176.536 176.536 178.509 -1.973 18219 9937 1 20 . 1 1 21 21 VAL CA C 12 65.400 65.400 66.505 -1.105 18219 9938 1 20 . 1 1 21 21 VAL CB C 12 31.135 31.135 30.727 0.408 18219 9939 1 20 . 1 1 21 21 VAL H H 12 8.051 8.051 8.275 -0.224 18219 9940 1 20 . 1 1 22 22 THR N N 13 118.298 118.298 116.639 1.659 18219 9941 1 20 . 1 1 22 22 THR HA H 13 4.660 4.660 4.038 0.622 18219 9942 1 20 . 1 1 22 22 THR C C 13 173.734 173.734 176.632 -2.898 18219 9943 1 20 . 1 1 22 22 THR CA C 13 66.300 66.300 66.582 -0.281 18219 9944 1 20 . 1 1 22 22 THR CB C 13 67.775 67.775 68.517 -0.742 18219 9945 1 20 . 1 1 22 22 THR H H 13 7.944 7.944 8.154 -0.210 18219 9946 1 20 . 1 1 23 23 PHE N N 14 121.328 121.328 122.489 -1.161 18219 9947 1 20 . 1 1 23 23 PHE HA H 14 4.340 4.340 4.193 0.147 18219 9948 1 20 . 1 1 23 23 PHE C C 14 174.783 174.783 177.297 -2.514 18219 9949 1 20 . 1 1 23 23 PHE CA C 14 60.500 60.500 61.979 -1.479 18219 9950 1 20 . 1 1 23 23 PHE CB C 14 38.626 38.626 38.929 -0.303 18219 9951 1 20 . 1 1 23 23 PHE H H 14 8.567 8.567 8.418 0.149 18219 9952 1 20 . 1 1 24 24 GLY N N 15 106.871 106.871 105.120 1.751 18219 9953 1 20 . 1 1 24 24 GLY C C 15 172.858 172.858 176.878 -4.020 18219 9954 1 20 . 1 1 24 24 GLY CA C 15 46.900 46.900 47.173 -0.273 18219 9955 1 20 . 1 1 24 24 GLY H H 15 8.475 8.475 9.056 -0.581 18219 9956 1 20 . 1 1 25 25 SER N N 16 116.214 116.214 118.241 -2.027 18219 9957 1 20 . 1 1 25 25 SER HA H 16 4.280 4.280 4.421 -0.141 18219 9958 1 20 . 1 1 25 25 SER CA C 16 60.300 60.300 61.440 -1.140 18219 9959 1 20 . 1 1 25 25 SER CB C 16 62.879 62.879 63.129 -0.250 18219 9960 1 20 . 1 1 25 25 SER H H 16 7.963 7.963 8.004 -0.041 18219 9961 1 20 . 1 1 26 26 ILE N N 17 121.024 121.024 121.457 -0.433 18219 9962 1 20 . 1 1 26 26 ILE HA H 17 3.946 3.946 4.010 -0.064 18219 9963 1 20 . 1 1 26 26 ILE C C 17 173.935 173.935 178.040 -4.105 18219 9964 1 20 . 1 1 26 26 ILE CA C 17 63.100 63.100 64.580 -1.480 18219 9965 1 20 . 1 1 26 26 ILE CB C 17 38.107 38.107 37.511 0.596 18219 9966 1 20 . 1 1 26 26 ILE H H 17 7.676 7.676 8.292 -0.616 18219 9967 1 20 . 1 1 27 27 PHE N N 18 117.142 117.142 120.035 -2.893 18219 9968 1 20 . 1 1 27 27 PHE HA H 18 4.430 4.430 4.177 0.253 18219 9969 1 20 . 1 1 27 27 PHE C C 18 173.504 173.504 177.318 -3.814 18219 9970 1 20 . 1 1 27 27 PHE CA C 18 58.500 58.500 60.290 -1.790 18219 9971 1 20 . 1 1 27 27 PHE CB C 18 38.774 38.774 38.739 0.035 18219 9972 1 20 . 1 1 27 27 PHE H H 18 7.703 7.703 8.281 -0.578 18219 9973 1 20 . 1 1 28 28 GLY N N 19 107.303 107.303 106.650 0.653 18219 9974 1 20 . 1 1 28 28 GLY C C 19 171.593 171.593 174.316 -2.723 18219 9975 1 20 . 1 1 28 28 GLY CA C 19 45.600 45.600 45.369 0.231 18219 9976 1 20 . 1 1 28 28 GLY H H 19 7.722 7.722 7.630 0.092 18219 9977 1 20 . 1 1 29 29 TYR N N 20 119.862 119.862 120.274 -0.412 18219 9978 1 20 . 1 1 29 29 TYR HA H 20 4.392 4.392 4.164 0.228 18219 9979 1 20 . 1 1 29 29 TYR C C 20 173.174 173.174 176.250 -3.076 18219 9980 1 20 . 1 1 29 29 TYR CA C 20 58.500 58.500 58.102 0.398 18219 9981 1 20 . 1 1 29 29 TYR CB C 20 38.404 38.404 37.371 1.033 18219 9982 1 20 . 1 1 29 29 TYR H H 20 7.880 7.880 7.790 0.090 18219 9983 1 20 . 1 1 30 30 LYS N N 21 122.335 122.335 124.331 -1.996 18219 9984 1 20 . 1 1 30 30 LYS HA H 21 4.390 4.390 4.062 0.328 18219 9985 1 20 . 1 1 30 30 LYS C C 21 173.547 173.547 176.210 -2.663 18219 9986 1 20 . 1 1 30 30 LYS CA C 21 55.800 55.800 57.204 -1.404 18219 9987 1 20 . 1 1 30 30 LYS CB C 21 32.396 32.396 32.949 -0.553 18219 9988 1 20 . 1 1 30 30 LYS H H 21 7.934 7.934 8.216 -0.282 18219 9989 1 20 . 1 1 31 31 ARG N N 22 120.612 120.612 125.449 -4.837 18219 9990 1 20 . 1 1 31 31 ARG C C 22 173.547 173.547 176.062 -2.515 18219 9991 1 20 . 1 1 31 31 ARG CA C 22 55.834 55.834 56.222 -0.388 18219 9992 1 20 . 1 1 31 31 ARG CB C 22 30.101 30.101 30.006 0.095 18219 9993 1 20 . 1 1 31 31 ARG H H 22 7.905 7.905 8.549 -0.644 18219 9994 1 20 . 1 1 32 32 ARG N N 23 121.748 121.748 122.269 -0.521 18219 9995 1 20 . 1 1 32 32 ARG HA H 23 4.310 4.310 4.295 0.015 18219 9996 1 20 . 1 1 32 32 ARG C C 23 173.863 173.863 176.855 -2.992 18219 9997 1 20 . 1 1 32 32 ARG CA C 23 55.800 55.800 56.210 -0.410 18219 9998 1 20 . 1 1 32 32 ARG CB C 23 30.245 30.245 30.082 0.163 18219 9999 1 20 . 1 1 32 32 ARG H H 23 8.175 8.175 8.683 -0.508 18219 10000 1 20 . 1 1 33 33 GLY N N 24 109.528 109.528 106.747 2.781 18219 10001 1 20 . 1 1 33 33 GLY C C 24 171.752 171.752 173.207 -1.455 18219 10002 1 20 . 1 1 33 33 GLY CA C 24 44.900 44.900 44.155 0.745 18219 10003 1 20 . 1 1 33 33 GLY H H 24 8.264 8.264 7.731 0.533 18219 10004 1 20 . 1 1 34 34 GLY N N 25 108.563 108.563 107.615 0.948 18219 10005 1 20 . 1 1 34 34 GLY C C 25 171.701 171.701 174.239 -2.538 18219 10006 1 20 . 1 1 34 34 GLY CA C 25 44.600 44.600 44.590 0.010 18219 10007 1 20 . 1 1 34 34 GLY H H 25 8.208 8.208 8.005 0.203 18219 10008 1 20 . 1 1 35 35 VAL N N 26 121.164 121.164 122.127 -0.963 18219 10009 1 20 . 1 1 35 35 VAL HA H 26 4.010 4.010 4.082 -0.072 18219 10010 1 20 . 1 1 35 35 VAL C C 26 175.888 175.888 175.489 0.399 18219 10011 1 20 . 1 1 35 35 VAL CA C 26 63.900 63.900 63.907 -0.007 18219 10012 1 20 . 1 1 35 35 VAL CB C 26 30.690 30.690 30.597 0.093 18219 10013 1 20 . 1 1 35 35 VAL H H 26 8.485 8.485 8.397 0.088 18219 10014 1 20 . 1 1 36 36 PRO C C 27 177.660 177.660 175.784 1.876 18219 10015 1 20 . 1 1 36 36 PRO CA C 27 61.847 61.847 62.463 -0.616 18219 10016 1 20 . 1 1 37 37 SER N N 28 116.023 116.023 112.800 3.223 18219 10017 1 20 . 1 1 37 37 SER HA H 28 4.280 4.280 4.449 -0.169 18219 10018 1 20 . 1 1 37 37 SER CA C 28 61.100 61.100 60.092 1.008 18219 10019 1 20 . 1 1 37 37 SER H H 28 7.948 7.948 8.188 -0.240 18219 10020 1 20 . 1 1 38 38 LEU N N 29 124.029 124.029 121.169 2.860 18219 10021 1 20 . 1 1 38 38 LEU HA H 29 4.170 4.170 4.096 0.074 18219 10022 1 20 . 1 1 38 38 LEU C C 29 176.132 176.132 178.423 -2.291 18219 10023 1 20 . 1 1 38 38 LEU CA C 29 57.500 57.500 57.911 -0.411 18219 10024 1 20 . 1 1 38 38 LEU CB C 29 42.038 42.038 40.962 1.076 18219 10025 1 20 . 1 1 38 38 LEU H H 29 8.201 8.201 7.957 0.244 18219 10026 1 20 . 1 1 39 39 ILE N N 30 117.098 117.098 119.289 -2.191 18219 10027 1 20 . 1 1 39 39 ILE HA H 30 4.370 4.370 3.862 0.508 18219 10028 1 20 . 1 1 39 39 ILE C C 30 176.478 176.478 177.374 -0.896 18219 10029 1 20 . 1 1 39 39 ILE CA C 30 63.079 63.079 62.608 0.471 18219 10030 1 20 . 1 1 39 39 ILE CB C 30 36.973 36.973 37.011 -0.038 18219 10031 1 20 . 1 1 39 39 ILE H H 30 7.662 7.662 8.128 -0.466 18219 10032 1 20 . 1 1 40 40 ALA N N 31 122.447 122.447 122.998 -0.551 18219 10033 1 20 . 1 1 40 40 ALA HA H 31 4.034 4.034 4.031 0.003 18219 10034 1 20 . 1 1 40 40 ALA C C 31 177.067 177.067 179.439 -2.372 18219 10035 1 20 . 1 1 40 40 ALA CA C 31 55.962 55.962 55.480 0.482 18219 10036 1 20 . 1 1 40 40 ALA CB C 31 17.856 17.856 18.079 -0.223 18219 10037 1 20 . 1 1 40 40 ALA H H 31 8.096 8.096 8.232 -0.136 18219 10038 1 20 . 1 1 41 41 GLY N N 32 104.056 104.056 107.849 -3.793 18219 10039 1 20 . 1 1 41 41 GLY C C 32 174.251 174.251 175.840 -1.589 18219 10040 1 20 . 1 1 41 41 GLY CA C 32 46.500 46.500 46.830 -0.329 18219 10041 1 20 . 1 1 41 41 GLY H H 32 8.123 8.123 8.105 0.018 18219 10042 1 20 . 1 1 42 42 LEU N N 33 123.250 123.250 123.366 -0.116 18219 10043 1 20 . 1 1 42 42 LEU HA H 33 3.857 3.857 3.958 -0.101 18219 10044 1 20 . 1 1 42 42 LEU C C 33 176.033 176.033 178.433 -2.400 18219 10045 1 20 . 1 1 42 42 LEU CA C 33 56.668 56.668 58.361 -1.693 18219 10046 1 20 . 1 1 42 42 LEU CB C 33 41.721 41.721 42.033 -0.312 18219 10047 1 20 . 1 1 42 42 LEU H H 33 7.914 7.914 8.087 -0.173 18219 10048 1 20 . 1 1 43 43 PHE N N 34 119.757 119.757 118.809 0.948 18219 10049 1 20 . 1 1 43 43 PHE HA H 34 4.200 4.200 4.062 0.138 18219 10050 1 20 . 1 1 43 43 PHE C C 34 174.374 174.374 177.623 -3.249 18219 10051 1 20 . 1 1 43 43 PHE CA C 34 59.876 59.876 61.390 -1.514 18219 10052 1 20 . 1 1 43 43 PHE CB C 34 38.834 38.834 38.699 0.135 18219 10053 1 20 . 1 1 43 43 PHE H H 34 8.287 8.287 8.195 0.092 18219 10054 1 20 . 1 1 44 44 VAL N N 35 117.791 117.791 118.141 -0.350 18219 10055 1 20 . 1 1 44 44 VAL HA H 35 3.610 3.610 3.457 0.153 18219 10056 1 20 . 1 1 44 44 VAL C C 35 176.205 176.205 178.539 -2.334 18219 10057 1 20 . 1 1 44 44 VAL CA C 35 64.559 64.559 67.027 -2.468 18219 10058 1 20 . 1 1 44 44 VAL CB C 35 31.432 31.432 31.082 0.350 18219 10059 1 20 . 1 1 44 44 VAL H H 35 8.235 8.235 8.375 -0.140 18219 10060 1 20 . 1 1 45 45 GLY N N 36 108.551 108.551 106.524 2.027 18219 10061 1 20 . 1 1 45 45 GLY C C 36 173.749 173.749 175.608 -1.859 18219 10062 1 20 . 1 1 45 45 GLY CA C 36 46.083 46.083 47.262 -1.179 18219 10063 1 20 . 1 1 45 45 GLY H H 36 8.178 8.178 8.704 -0.526 18219 10064 1 20 . 1 1 46 46 CYS N N 37 121.173 121.173 122.325 -1.152 18219 10065 1 20 . 1 1 46 46 CYS HA H 37 4.180 4.180 4.167 0.013 18219 10066 1 20 . 1 1 46 46 CYS C C 37 173.710 173.710 176.679 -2.969 18219 10067 1 20 . 1 1 46 46 CYS CA C 37 63.000 63.000 63.448 -0.448 18219 10068 1 20 . 1 1 46 46 CYS CB C 37 60.283 60.283 27.409 32.874 18219 10069 1 20 . 1 1 46 46 CYS H H 37 8.253 8.253 7.845 0.408 18219 10070 1 20 . 1 1 47 47 LEU N N 38 120.283 120.283 118.793 1.490 18219 10071 1 20 . 1 1 47 47 LEU HA H 38 4.060 4.060 3.909 0.151 18219 10072 1 20 . 1 1 47 47 LEU C C 38 176.679 176.679 178.441 -1.762 18219 10073 1 20 . 1 1 47 47 LEU CA C 38 56.027 56.027 57.368 -1.341 18219 10074 1 20 . 1 1 47 47 LEU CB C 38 41.464 41.464 40.954 0.510 18219 10075 1 20 . 1 1 47 47 LEU H H 38 7.965 7.965 8.193 -0.228 18219 10076 1 20 . 1 1 48 48 ALA N N 39 122.249 122.249 122.091 0.158 18219 10077 1 20 . 1 1 48 48 ALA HA H 39 4.142 4.142 4.018 0.124 18219 10078 1 20 . 1 1 48 48 ALA C C 39 177.915 177.915 179.764 -1.849 18219 10079 1 20 . 1 1 48 48 ALA CA C 39 53.717 53.717 55.105 -1.388 18219 10080 1 20 . 1 1 48 48 ALA CB C 39 17.985 17.985 18.194 -0.209 18219 10081 1 20 . 1 1 48 48 ALA H H 39 8.066 8.066 7.958 0.108 18219 10082 1 20 . 1 1 49 49 GLY N N 40 107.377 107.377 107.142 0.235 18219 10083 1 20 . 1 1 49 49 GLY C C 40 172.527 172.527 175.622 -3.095 18219 10084 1 20 . 1 1 49 49 GLY CA C 40 45.450 45.450 46.873 -1.423 18219 10085 1 20 . 1 1 49 49 GLY H H 40 8.172 8.172 8.504 -0.332 18219 10086 1 20 . 1 1 50 50 TYR N N 41 122.409 122.409 123.384 -0.975 18219 10087 1 20 . 1 1 50 50 TYR HA H 41 3.799 3.799 4.208 -0.409 18219 10088 1 20 . 1 1 50 50 TYR C C 41 174.208 174.208 177.737 -3.529 18219 10089 1 20 . 1 1 50 50 TYR CA C 41 59.245 59.245 60.779 -1.534 18219 10090 1 20 . 1 1 50 50 TYR CB C 41 37.936 37.936 38.361 -0.425 18219 10091 1 20 . 1 1 50 50 TYR H H 41 7.800 7.800 8.333 -0.533 18219 10092 1 20 . 1 1 51 51 GLY N N 42 106.935 106.935 107.181 -0.246 18219 10093 1 20 . 1 1 51 51 GLY C C 42 172.642 172.642 175.051 -2.409 18219 10094 1 20 . 1 1 51 51 GLY CA C 42 46.265 46.265 45.404 0.861 18219 10095 1 20 . 1 1 51 51 GLY H H 42 8.199 8.199 8.066 0.133 18219 10096 1 20 . 1 1 52 52 ALA N N 43 123.018 123.018 125.289 -2.271 18219 10097 1 20 . 1 1 52 52 ALA HA H 43 4.150 4.150 3.980 0.170 18219 10098 1 20 . 1 1 52 52 ALA C C 43 176.398 176.398 178.402 -2.004 18219 10099 1 20 . 1 1 52 52 ALA CA C 43 52.883 52.883 53.830 -0.947 18219 10100 1 20 . 1 1 52 52 ALA CB C 43 18.241 18.241 19.140 -0.899 18219 10101 1 20 . 1 1 52 52 ALA H H 43 7.758 7.758 7.726 0.032 18219 10102 1 20 . 1 1 53 53 TYR N N 44 119.664 119.664 115.899 3.765 18219 10103 1 20 . 1 1 53 53 TYR HA H 44 4.318 4.318 4.159 0.159 18219 10104 1 20 . 1 1 53 53 TYR C C 44 174.180 174.180 175.630 -1.450 18219 10105 1 20 . 1 1 53 53 TYR CA C 44 58.593 58.593 58.987 -0.394 18219 10106 1 20 . 1 1 53 53 TYR CB C 44 38.192 38.192 36.445 1.747 18219 10107 1 20 . 1 1 53 53 TYR H H 44 7.920 7.920 8.399 -0.479 18219 10108 1 20 . 1 1 54 54 ARG N N 45 119.516 119.516 117.498 2.018 18219 10109 1 20 . 1 1 54 54 ARG HA H 45 3.930 3.930 4.152 -0.222 18219 10110 1 20 . 1 1 54 54 ARG C C 45 174.423 174.423 175.299 -0.876 18219 10111 1 20 . 1 1 54 54 ARG CA C 45 56.027 56.027 56.836 -0.809 18219 10112 1 20 . 1 1 54 54 ARG CB C 45 30.173 30.173 30.981 -0.808 18219 10113 1 20 . 1 1 54 54 ARG H H 45 7.956 7.956 8.071 -0.115 18219 10114 1 20 . 1 1 55 55 VAL N N 46 116.437 116.437 116.426 0.011 18219 10115 1 20 . 1 1 55 55 VAL HA H 46 4.060 4.060 3.737 0.323 18219 10116 1 20 . 1 1 55 55 VAL C C 46 173.806 173.806 173.572 0.234 18219 10117 1 20 . 1 1 55 55 VAL CA C 46 62.300 62.300 63.571 -1.271 18219 10118 1 20 . 1 1 55 55 VAL CB C 46 31.521 31.521 31.354 0.167 18219 10119 1 20 . 1 1 55 55 VAL H H 46 7.489 7.489 8.351 -0.862 18219 10120 1 20 . 1 1 56 56 SER N N 47 117.185 117.185 113.716 3.469 18219 10121 1 20 . 1 1 56 56 SER HA H 47 4.401 4.401 4.530 -0.129 18219 10122 1 20 . 1 1 56 56 SER C C 47 172.074 172.074 174.079 -2.005 18219 10123 1 20 . 1 1 56 56 SER CA C 47 58.133 58.133 58.434 -0.301 18219 10124 1 20 . 1 1 56 56 SER CB C 47 63.468 63.468 63.920 -0.452 18219 10125 1 20 . 1 1 56 56 SER H H 47 7.728 7.728 8.022 -0.294 18219 10126 1 20 . 1 1 57 57 ASN N N 48 121.049 121.049 122.790 -1.741 18219 10127 1 20 . 1 1 57 57 ASN HA H 48 4.590 4.590 4.682 -0.092 18219 10128 1 20 . 1 1 57 57 ASN CA C 48 53.600 53.600 54.368 -0.768 18219 10129 1 20 . 1 1 57 57 ASN CB C 48 38.641 38.641 38.874 -0.233 18219 10130 1 20 . 1 1 57 57 ASN H H 48 8.228 8.228 8.570 -0.342 18219 10131 1 20 . 1 1 58 58 ASP N N 49 120.276 120.276 118.040 2.236 18219 10132 1 20 . 1 1 58 58 ASP HA H 49 4.530 4.530 4.608 -0.078 18219 10133 1 20 . 1 1 58 58 ASP CA C 49 54.202 54.202 54.659 -0.457 18219 10134 1 20 . 1 1 58 58 ASP CB C 49 40.374 40.374 42.005 -1.631 18219 10135 1 20 . 1 1 58 58 ASP H H 49 8.192 8.192 8.122 0.070 18219 10136 1 20 . 1 1 59 59 LYS N N 50 120.660 120.660 121.369 -0.709 18219 10137 1 20 . 1 1 59 59 LYS HA H 50 4.200 4.200 4.364 -0.164 18219 10138 1 20 . 1 1 59 59 LYS C C 50 173.474 173.474 176.812 -3.338 18219 10139 1 20 . 1 1 59 59 LYS CA C 50 56.300 56.300 55.501 0.799 18219 10140 1 20 . 1 1 59 59 LYS CB C 50 32.034 32.034 33.012 -0.978 18219 10141 1 20 . 1 1 59 59 LYS H H 50 8.003 8.003 8.013 -0.010 18219 10142 1 20 . 1 1 60 60 ARG N N 51 121.278 121.278 122.563 -1.285 18219 10143 1 20 . 1 1 60 60 ARG HA H 51 4.200 4.200 4.073 0.127 18219 10144 1 20 . 1 1 60 60 ARG C C 51 173.303 173.303 176.067 -2.764 18219 10145 1 20 . 1 1 60 60 ARG CA C 51 56.283 56.283 58.371 -2.088 18219 10146 1 20 . 1 1 60 60 ARG CB C 51 30.238 30.238 30.571 -0.333 18219 10147 1 20 . 1 1 60 60 ARG H H 51 8.091 8.091 8.604 -0.513 18219 10148 1 20 . 1 1 61 61 ASP N N 52 121.185 121.185 111.803 9.382 18219 10149 1 20 . 1 1 61 61 ASP HA H 52 4.615 4.615 4.599 0.016 18219 10150 1 20 . 1 1 61 61 ASP C C 52 173.777 173.777 176.879 -3.102 18219 10151 1 20 . 1 1 61 61 ASP CA C 52 53.979 53.979 55.098 -1.119 18219 10152 1 20 . 1 1 61 61 ASP CB C 52 40.245 40.245 40.731 -0.486 18219 10153 1 20 . 1 1 61 61 ASP H H 52 8.261 8.261 8.004 0.257 18219 10154 1 20 . 1 1 62 62 VAL N N 53 121.902 121.902 121.170 0.732 18219 10155 1 20 . 1 1 62 62 VAL HA H 53 3.950 3.950 4.072 -0.122 18219 10156 1 20 . 1 1 62 62 VAL C C 53 173.279 173.279 177.021 -3.742 18219 10157 1 20 . 1 1 62 62 VAL CA C 53 63.176 63.176 64.237 -1.061 18219 10158 1 20 . 1 1 62 62 VAL CB C 53 32.099 32.099 31.958 0.141 18219 10159 1 20 . 1 1 62 62 VAL H H 53 7.997 7.997 8.125 -0.128 18219 10160 1 20 . 1 1 63 63 LYS N N 54 123.522 123.522 121.294 2.228 18219 10161 1 20 . 1 1 63 63 LYS HA H 54 4.260 4.260 4.156 0.104 18219 10162 1 20 . 1 1 63 63 LYS C C 54 174.481 174.481 178.723 -4.242 18219 10163 1 20 . 1 1 63 63 LYS CA C 54 56.347 56.347 59.382 -3.035 18219 10164 1 20 . 1 1 63 63 LYS CB C 54 32.099 32.099 31.936 0.163 18219 10165 1 20 . 1 1 63 63 LYS H H 54 8.054 8.054 8.428 -0.374 18219 10166 1 20 . 1 1 64 64 VAL N N 55 120.647 120.647 118.275 2.372 18219 10167 1 20 . 1 1 64 64 VAL HA H 55 3.947 3.947 3.956 -0.009 18219 10168 1 20 . 1 1 64 64 VAL C C 55 174.955 174.955 178.020 -3.065 18219 10169 1 20 . 1 1 64 64 VAL CA C 55 64.600 64.600 65.483 -0.883 18219 10170 1 20 . 1 1 64 64 VAL CB C 55 31.877 31.877 30.966 0.911 18219 10171 1 20 . 1 1 64 64 VAL H H 55 8.225 8.225 8.151 0.074 18219 10172 1 20 . 1 1 65 65 SER N N 56 117.785 117.785 116.210 1.575 18219 10173 1 20 . 1 1 65 65 SER HA H 56 4.390 4.390 4.217 0.173 18219 10174 1 20 . 1 1 65 65 SER C C 56 172.300 172.300 176.476 -4.176 18219 10175 1 20 . 1 1 65 65 SER CA C 56 60.000 60.000 61.820 -1.820 18219 10176 1 20 . 1 1 65 65 SER CB C 56 62.879 62.879 62.928 -0.049 18219 10177 1 20 . 1 1 65 65 SER H H 56 8.260 8.260 7.636 0.624 18219 10178 1 20 . 1 1 66 66 LEU N N 57 123.318 123.318 122.295 1.023 18219 10179 1 20 . 1 1 66 66 LEU HA H 57 4.090 4.090 4.181 -0.091 18219 10180 1 20 . 1 1 66 66 LEU C C 57 175.932 175.932 178.335 -2.403 18219 10181 1 20 . 1 1 66 66 LEU CA C 57 57.502 57.502 57.849 -0.347 18219 10182 1 20 . 1 1 66 66 LEU CB C 57 41.721 41.721 40.819 0.902 18219 10183 1 20 . 1 1 66 66 LEU H H 57 8.091 8.091 8.135 -0.044 18219 10184 1 20 . 1 1 67 67 PHE N N 58 118.020 118.020 119.229 -1.209 18219 10185 1 20 . 1 1 67 67 PHE HA H 58 4.330 4.330 3.898 0.432 18219 10186 1 20 . 1 1 67 67 PHE C C 58 174.912 174.912 177.882 -2.970 18219 10187 1 20 . 1 1 67 67 PHE CA C 58 60.600 60.600 61.828 -1.228 18219 10188 1 20 . 1 1 67 67 PHE CB C 58 38.552 38.552 38.797 -0.245 18219 10189 1 20 . 1 1 67 67 PHE H H 58 8.066 8.066 8.538 -0.472 18219 10190 1 20 . 1 1 68 68 THR N N 59 115.324 115.324 115.561 -0.237 18219 10191 1 20 . 1 1 68 68 THR HA H 59 4.310 4.310 4.231 0.079 18219 10192 1 20 . 1 1 68 68 THR C C 59 173.380 173.380 176.550 -3.170 18219 10193 1 20 . 1 1 68 68 THR CA C 59 66.313 66.313 67.106 -0.793 18219 10194 1 20 . 1 1 68 68 THR CB C 59 67.700 67.700 68.761 -1.061 18219 10195 1 20 . 1 1 68 68 THR H H 59 8.287 8.287 8.553 -0.266 18219 10196 1 20 . 1 1 69 69 ALA N N 60 123.621 123.621 124.885 -1.264 18219 10197 1 20 . 1 1 69 69 ALA HA H 60 4.280 4.280 4.133 0.147 18219 10198 1 20 . 1 1 69 69 ALA C C 60 176.978 176.978 180.176 -3.198 18219 10199 1 20 . 1 1 69 69 ALA CA C 60 55.100 55.100 55.287 -0.187 18219 10200 1 20 . 1 1 69 69 ALA CB C 60 17.728 17.728 18.256 -0.528 18219 10201 1 20 . 1 1 69 69 ALA H H 60 7.983 7.983 8.209 -0.226 18219 10202 1 20 . 1 1 70 70 PHE N N 61 118.520 118.520 116.743 1.777 18219 10203 1 20 . 1 1 70 70 PHE HA H 61 4.260 4.260 4.320 -0.060 18219 10204 1 20 . 1 1 70 70 PHE C C 61 175.369 175.369 177.604 -2.235 18219 10205 1 20 . 1 1 70 70 PHE CA C 61 60.179 60.179 60.553 -0.374 18219 10206 1 20 . 1 1 70 70 PHE CB C 61 38.706 38.706 38.679 0.027 18219 10207 1 20 . 1 1 70 70 PHE H H 61 8.007 8.007 9.013 -1.006 18219 10208 1 20 . 1 1 71 71 PHE N N 62 122.314 122.314 121.039 1.275 18219 10209 1 20 . 1 1 71 71 PHE HA H 62 4.000 4.000 4.193 -0.193 18219 10210 1 20 . 1 1 71 71 PHE C C 62 174.697 174.697 177.730 -3.033 18219 10211 1 20 . 1 1 71 71 PHE CA C 62 60.517 60.517 60.325 0.192 18219 10212 1 20 . 1 1 71 71 PHE CB C 62 38.770 38.770 38.850 -0.080 18219 10213 1 20 . 1 1 71 71 PHE H H 62 8.546 8.546 7.539 1.007 18219 10214 1 20 . 1 1 72 72 LEU N N 63 119.399 119.399 119.910 -0.511 18219 10215 1 20 . 1 1 72 72 LEU HA H 63 3.870 3.870 4.006 -0.136 18219 10216 1 20 . 1 1 72 72 LEU C C 63 175.774 175.774 179.012 -3.238 18219 10217 1 20 . 1 1 72 72 LEU CA C 63 56.925 56.925 57.670 -0.745 18219 10218 1 20 . 1 1 72 72 LEU CB C 63 41.207 41.207 40.683 0.524 18219 10219 1 20 . 1 1 72 72 LEU H H 63 8.396 8.396 9.003 -0.607 18219 10220 1 20 . 1 1 73 73 ALA N N 64 120.221 120.221 121.490 -1.269 18219 10221 1 20 . 1 1 73 73 ALA HA H 64 3.960 3.960 3.963 -0.003 18219 10222 1 20 . 1 1 73 73 ALA C C 64 177.267 177.267 179.711 -2.444 18219 10223 1 20 . 1 1 73 73 ALA CA C 64 54.600 54.600 55.429 -0.829 18219 10224 1 20 . 1 1 73 73 ALA CB C 64 17.784 17.784 18.002 -0.218 18219 10225 1 20 . 1 1 73 73 ALA H H 64 8.025 8.025 8.333 -0.308 18219 10226 1 20 . 1 1 74 74 THR N N 65 113.648 113.648 114.039 -0.391 18219 10227 1 20 . 1 1 74 74 THR HA H 65 3.980 3.980 4.139 -0.159 18219 10228 1 20 . 1 1 74 74 THR CA C 65 66.291 66.291 65.844 0.447 18219 10229 1 20 . 1 1 74 74 THR CB C 65 67.914 67.914 68.875 -0.961 18219 10230 1 20 . 1 1 74 74 THR H H 65 7.717 7.717 7.841 -0.124 18219 10231 1 20 . 1 1 75 75 ILE N N 66 120.291 120.291 121.876 -1.585 18219 10232 1 20 . 1 1 75 75 ILE HA H 66 3.740 3.740 3.747 -0.007 18219 10233 1 20 . 1 1 75 75 ILE C C 66 174.951 174.951 177.434 -2.483 18219 10234 1 20 . 1 1 75 75 ILE CA C 66 64.880 64.880 64.540 0.340 18219 10235 1 20 . 1 1 75 75 ILE CB C 66 37.166 37.166 38.295 -1.129 18219 10236 1 20 . 1 1 75 75 ILE H H 66 7.738 7.738 8.250 -0.512 18219 10237 1 20 . 1 1 76 76 MET N N 67 117.618 117.618 117.142 0.476 18219 10238 1 20 . 1 1 76 76 MET HA H 67 4.220 4.220 4.294 -0.074 18219 10239 1 20 . 1 1 76 76 MET C C 67 175.142 175.142 177.129 -1.987 18219 10240 1 20 . 1 1 76 76 MET CA C 67 56.723 56.723 58.188 -1.466 18219 10241 1 20 . 1 1 76 76 MET CB C 67 31.951 31.951 33.842 -1.891 18219 10242 1 20 . 1 1 76 76 MET H H 67 7.823 7.823 8.504 -0.681 18219 10243 1 20 . 1 1 77 77 GLY N N 68 107.110 107.110 103.694 3.416 18219 10244 1 20 . 1 1 77 77 GLY C C 68 172.260 172.260 174.402 -2.142 18219 10245 1 20 . 1 1 77 77 GLY CA C 68 45.800 45.800 44.828 0.972 18219 10246 1 20 . 1 1 77 77 GLY H H 68 7.937 7.937 7.970 -0.033 18219 10247 1 20 . 1 1 78 78 VAL N N 69 120.431 120.431 119.682 0.749 18219 10248 1 20 . 1 1 78 78 VAL HA H 69 4.220 4.220 4.072 0.148 18219 10249 1 20 . 1 1 78 78 VAL CA C 69 63.900 63.900 62.316 1.584 18219 10250 1 20 . 1 1 78 78 VAL CB C 69 31.506 31.506 32.732 -1.226 18219 10251 1 20 . 1 1 78 78 VAL H H 69 7.697 7.697 8.656 -0.959 18219 10252 1 20 . 1 1 79 79 ARG N N 70 121.420 121.420 119.702 1.718 18219 10253 1 20 . 1 1 79 79 ARG HA H 70 3.810 3.810 4.233 -0.423 18219 10254 1 20 . 1 1 79 79 ARG CA C 70 56.400 56.400 57.115 -0.715 18219 10255 1 20 . 1 1 79 79 ARG CB C 70 30.097 30.097 30.985 -0.888 18219 10256 1 20 . 1 1 79 79 ARG H H 70 7.889 7.889 7.468 0.421 18219 10257 1 20 . 1 1 80 80 PHE N N 71 119.949 119.949 122.212 -2.263 18219 10258 1 20 . 1 1 80 80 PHE HA H 71 4.510 4.510 4.520 -0.010 18219 10259 1 20 . 1 1 80 80 PHE CA C 71 58.600 58.600 58.751 -0.151 18219 10260 1 20 . 1 1 80 80 PHE CB C 71 39.145 39.145 40.740 -1.595 18219 10261 1 20 . 1 1 80 80 PHE H H 71 8.101 8.101 8.502 -0.401 18219 10262 1 20 . 1 1 81 81 LYS N N 72 122.193 122.193 121.545 0.648 18219 10263 1 20 . 1 1 81 81 LYS CA C 72 56.800 56.800 56.088 0.712 18219 10264 1 20 . 1 1 81 81 LYS CB C 72 32.322 32.322 34.839 -2.517 18219 10265 1 20 . 1 1 81 81 LYS H H 72 8.090 8.090 8.207 -0.117 18219 10266 1 20 . 1 1 82 82 ARG N N 73 119.650 119.650 122.962 -3.312 18219 10267 1 20 . 1 1 82 82 ARG CA C 73 56.089 56.089 57.070 -0.981 18219 10268 1 20 . 1 1 82 82 ARG CB C 73 30.171 30.171 29.227 0.944 18219 10269 1 20 . 1 1 82 82 ARG H H 73 8.052 8.052 8.405 -0.353 18219 10270 1 20 . 1 1 83 83 SER N N 74 115.734 115.734 118.079 -2.345 18219 10271 1 20 . 1 1 83 83 SER CA C 74 58.355 58.355 57.749 0.606 18219 10272 1 20 . 1 1 83 83 SER CB C 74 63.404 63.404 65.316 -1.912 18219 10273 1 20 . 1 1 83 83 SER H H 74 7.912 7.912 7.971 -0.059 18219 10274 1 20 . 1 1 84 84 LYS N N 75 122.370 122.370 125.440 -3.070 18219 10275 1 20 . 1 1 84 84 LYS CA C 75 56.135 56.135 57.985 -1.850 18219 10276 1 20 . 1 1 84 84 LYS CB C 75 32.175 32.175 32.079 0.096 18219 10277 1 20 . 1 1 84 84 LYS H H 75 8.067 8.067 8.809 -0.742 18219 10278 1 20 . 1 1 86 86 ILE N N 77 119.592 119.592 117.199 2.393 18219 10279 1 20 . 1 1 86 86 ILE HA H 77 3.810 3.810 4.011 -0.201 18219 10280 1 20 . 1 1 86 86 ILE CA C 77 64.900 64.900 62.021 2.879 18219 10281 1 20 . 1 1 86 86 ILE CB C 77 39.145 39.145 38.545 0.600 18219 10282 1 20 . 1 1 86 86 ILE H H 77 7.837 7.837 8.647 -0.810 18219 10283 1 20 . 1 1 87 87 MET N N 78 121.645 121.645 119.436 2.209 18219 10284 1 20 . 1 1 87 87 MET CA C 78 52.982 52.982 59.887 -6.905 18219 10285 1 20 . 1 1 87 87 MET CB C 78 32.173 32.173 30.835 1.338 18219 10286 1 20 . 1 1 87 87 MET H H 78 7.950 7.950 8.314 -0.364 18219 10287 1 20 . 1 1 88 88 PRO HA H 79 4.140 4.140 4.331 -0.191 18219 10288 1 20 . 1 1 88 88 PRO C C 79 173.921 173.921 177.990 -4.069 18219 10289 1 20 . 1 1 88 88 PRO CA C 79 62.800 62.800 64.797 -1.998 18219 10290 1 20 . 1 1 88 88 PRO CB C 79 31.136 31.136 31.595 -0.459 18219 10291 1 20 . 1 1 89 89 ALA N N 80 124.431 124.431 119.313 5.118 18219 10292 1 20 . 1 1 89 89 ALA HA H 80 4.400 4.400 3.901 0.499 18219 10293 1 20 . 1 1 89 89 ALA C C 80 176.234 176.234 179.651 -3.417 18219 10294 1 20 . 1 1 89 89 ALA CA C 80 53.300 53.300 54.312 -1.012 18219 10295 1 20 . 1 1 89 89 ALA CB C 80 18.498 18.498 16.976 1.522 18219 10296 1 20 . 1 1 89 89 ALA H H 80 8.320 8.320 8.535 -0.215 18219 10297 1 20 . 1 1 90 90 GLY N N 81 106.834 106.834 106.853 -0.019 18219 10298 1 20 . 1 1 90 90 GLY C C 81 172.398 172.398 175.754 -3.356 18219 10299 1 20 . 1 1 90 90 GLY CA C 81 45.600 45.600 46.479 -0.879 18219 10300 1 20 . 1 1 90 90 GLY H H 81 8.458 8.458 8.641 -0.183 18219 10301 1 20 . 1 1 91 91 LEU N N 82 121.043 121.043 122.008 -0.965 18219 10302 1 20 . 1 1 91 91 LEU HA H 82 4.200 4.200 4.075 0.125 18219 10303 1 20 . 1 1 91 91 LEU C C 82 174.783 174.783 178.733 -3.950 18219 10304 1 20 . 1 1 91 91 LEU CA C 82 56.300 56.300 58.285 -1.985 18219 10305 1 20 . 1 1 91 91 LEU CB C 82 42.106 42.106 41.771 0.335 18219 10306 1 20 . 1 1 91 91 LEU H H 82 7.687 7.687 8.230 -0.543 18219 10307 1 20 . 1 1 92 92 VAL N N 83 114.737 114.737 115.262 -0.525 18219 10308 1 20 . 1 1 92 92 VAL HA H 83 3.980 3.980 3.630 0.350 18219 10309 1 20 . 1 1 92 92 VAL C C 83 173.634 173.634 177.620 -3.986 18219 10310 1 20 . 1 1 92 92 VAL CA C 83 62.400 62.400 66.174 -3.774 18219 10311 1 20 . 1 1 92 92 VAL CB C 83 31.585 31.585 31.074 0.511 18219 10312 1 20 . 1 1 92 92 VAL H H 83 7.602 7.602 7.787 -0.185 18219 10313 1 20 . 1 1 93 93 ALA N N 84 124.320 124.320 121.350 2.970 18219 10314 1 20 . 1 1 93 93 ALA HA H 84 4.150 4.150 4.028 0.122 18219 10315 1 20 . 1 1 93 93 ALA C C 84 175.746 175.746 179.706 -3.960 18219 10316 1 20 . 1 1 93 93 ALA CA C 84 53.300 53.300 55.367 -2.067 18219 10317 1 20 . 1 1 93 93 ALA CB C 84 18.241 18.241 17.900 0.341 18219 10318 1 20 . 1 1 93 93 ALA H H 84 7.891 7.891 8.252 -0.361 18219 10319 1 20 . 1 1 94 94 GLY N N 85 106.807 106.807 107.030 -0.223 18219 10320 1 20 . 1 1 94 94 GLY C C 85 171.752 171.752 175.968 -4.216 18219 10321 1 20 . 1 1 94 94 GLY CA C 85 45.249 45.249 46.502 -1.253 18219 10322 1 20 . 1 1 94 94 GLY H H 85 8.204 8.204 8.176 0.028 18219 10323 1 20 . 1 1 95 95 LEU N N 86 121.266 121.266 122.519 -1.253 18219 10324 1 20 . 1 1 95 95 LEU HA H 86 4.380 4.380 4.153 0.227 18219 10325 1 20 . 1 1 95 95 LEU C C 86 173.702 173.702 178.883 -5.181 18219 10326 1 20 . 1 1 95 95 LEU CA C 86 55.000 55.000 57.559 -2.559 18219 10327 1 20 . 1 1 95 95 LEU CB C 86 42.298 42.298 41.120 1.178 18219 10328 1 20 . 1 1 95 95 LEU H H 86 7.718 7.718 7.943 -0.225 18219 10329 1 20 . 1 1 96 96 SER N N 87 115.658 115.658 115.354 0.304 18219 10330 1 20 . 1 1 96 96 SER HA H 87 4.370 4.370 4.203 0.167 18219 10331 1 20 . 1 1 96 96 SER C C 87 172.479 172.479 176.859 -4.380 18219 10332 1 20 . 1 1 96 96 SER CA C 87 57.200 57.200 61.807 -4.607 18219 10333 1 20 . 1 1 96 96 SER CB C 87 64.174 64.174 63.124 1.050 18219 10334 1 20 . 1 1 96 96 SER H H 87 7.659 7.659 8.185 -0.526 18219 10335 1 20 . 1 1 97 97 LEU N N 88 123.720 123.720 122.790 0.930 18219 10336 1 20 . 1 1 97 97 LEU HA H 88 4.600 4.600 4.022 0.578 18219 10337 1 20 . 1 1 97 97 LEU C C 88 175.932 175.932 178.986 -3.054 18219 10338 1 20 . 1 1 97 97 LEU CA C 88 57.600 57.600 57.953 -0.353 18219 10339 1 20 . 1 1 97 97 LEU CB C 88 41.400 41.400 42.062 -0.662 18219 10340 1 20 . 1 1 97 97 LEU H H 88 8.733 8.733 8.121 0.612 18219 10341 1 20 . 1 1 98 98 MET N N 89 116.684 116.684 119.425 -2.741 18219 10342 1 20 . 1 1 98 98 MET HA H 89 4.280 4.280 4.181 0.099 18219 10343 1 20 . 1 1 98 98 MET C C 89 175.789 175.789 177.933 -2.144 18219 10344 1 20 . 1 1 98 98 MET CA C 89 56.915 56.915 58.813 -1.898 18219 10345 1 20 . 1 1 98 98 MET CB C 89 31.007 31.007 32.776 -1.769 18219 10346 1 20 . 1 1 98 98 MET H H 89 8.342 8.342 8.269 0.073 18219 10347 1 20 . 1 1 99 99 MET N N 90 119.182 119.182 118.021 1.161 18219 10348 1 20 . 1 1 99 99 MET HA H 90 4.110 4.110 4.246 -0.136 18219 10349 1 20 . 1 1 99 99 MET C C 90 175.588 175.588 178.678 -3.090 18219 10350 1 20 . 1 1 99 99 MET CA C 90 57.951 57.951 58.556 -0.605 18219 10351 1 20 . 1 1 99 99 MET CB C 90 32.226 32.226 31.982 0.244 18219 10352 1 20 . 1 1 99 99 MET H H 90 7.720 7.720 8.171 -0.451 18219 10353 1 20 . 1 1 100 100 ILE N N 91 119.077 119.077 120.369 -1.292 18219 10354 1 20 . 1 1 100 100 ILE HA H 91 4.110 4.110 3.996 0.114 18219 10355 1 20 . 1 1 100 100 ILE C C 91 174.634 174.634 176.818 -2.184 18219 10356 1 20 . 1 1 100 100 ILE CA C 91 64.100 64.100 64.328 -0.228 18219 10357 1 20 . 1 1 100 100 ILE CB C 91 37.143 37.143 38.901 -1.758 18219 10358 1 20 . 1 1 100 100 ILE H H 91 7.662 7.662 8.199 -0.537 18219 10359 1 20 . 1 1 101 101 LEU N N 92 119.646 119.646 118.747 0.899 18219 10360 1 20 . 1 1 101 101 LEU HA H 92 4.530 4.530 4.231 0.299 18219 10361 1 20 . 1 1 101 101 LEU C C 92 175.430 175.430 177.686 -2.256 18219 10362 1 20 . 1 1 101 101 LEU CA C 92 57.800 57.800 57.262 0.538 18219 10363 1 20 . 1 1 101 101 LEU CB C 92 40.758 40.758 41.498 -0.740 18219 10364 1 20 . 1 1 101 101 LEU H H 92 8.142 8.142 7.661 0.481 18219 10365 1 20 . 1 1 102 102 ARG N N 93 116.394 116.394 118.108 -1.714 18219 10366 1 20 . 1 1 102 102 ARG HA H 93 4.140 4.140 4.452 -0.312 18219 10367 1 20 . 1 1 102 102 ARG C C 93 175.961 175.961 178.317 -2.356 18219 10368 1 20 . 1 1 102 102 ARG CA C 93 59.100 59.100 57.924 1.176 18219 10369 1 20 . 1 1 102 102 ARG CB C 93 29.404 29.404 31.388 -1.984 18219 10370 1 20 . 1 1 102 102 ARG H H 93 7.893 7.893 8.226 -0.333 18219 10371 1 20 . 1 1 103 103 LEU N N 94 119.114 119.114 122.273 -3.159 18219 10372 1 20 . 1 1 103 103 LEU HA H 94 4.110 4.110 4.155 -0.045 18219 10373 1 20 . 1 1 103 103 LEU C C 94 175.889 175.889 178.883 -2.994 18219 10374 1 20 . 1 1 103 103 LEU CA C 94 57.300 57.300 57.459 -0.159 18219 10375 1 20 . 1 1 103 103 LEU CB C 94 41.296 41.296 41.897 -0.601 18219 10376 1 20 . 1 1 103 103 LEU H H 94 7.622 7.622 7.967 -0.345 18219 10377 1 20 . 1 1 104 104 VAL N N 95 117.704 117.704 120.130 -2.426 18219 10378 1 20 . 1 1 104 104 VAL HA H 95 3.530 3.530 3.779 -0.249 18219 10379 1 20 . 1 1 104 104 VAL C C 95 175.042 175.042 177.175 -2.133 18219 10380 1 20 . 1 1 104 104 VAL CA C 95 66.419 66.419 65.881 0.538 18219 10381 1 20 . 1 1 104 104 VAL CB C 95 31.357 31.357 31.649 -0.292 18219 10382 1 20 . 1 1 104 104 VAL H H 95 8.026 8.026 7.700 0.326 18219 10383 1 20 . 1 1 105 105 LEU N N 96 117.185 117.185 115.078 2.107 18219 10384 1 20 . 1 1 105 105 LEU HA H 96 3.980 3.980 4.643 -0.663 18219 10385 1 20 . 1 1 105 105 LEU C C 96 176.579 176.579 176.657 -0.078 18219 10386 1 20 . 1 1 105 105 LEU CA C 96 56.800 56.800 53.950 2.850 18219 10387 1 20 . 1 1 105 105 LEU CB C 96 40.951 40.951 41.847 -0.896 18219 10388 1 20 . 1 1 105 105 LEU H H 96 7.893 7.893 7.786 0.107 18219 10389 1 20 . 1 1 106 106 LEU N N 97 118.471 118.471 120.006 -1.535 18219 10390 1 20 . 1 1 106 106 LEU HA H 97 4.180 4.180 3.947 0.233 18219 10391 1 20 . 1 1 106 106 LEU C C 97 175.802 175.802 176.132 -0.330 18219 10392 1 20 . 1 1 106 106 LEU CA C 97 56.300 56.300 55.389 0.911 18219 10393 1 20 . 1 1 106 106 LEU CB C 97 41.592 41.592 40.341 1.251 18219 10394 1 20 . 1 1 106 106 LEU H H 97 7.545 7.545 7.616 -0.071 18219 10395 1 20 . 1 1 107 107 LEU N N 98 118.162 118.162 113.442 4.720 18219 10396 1 20 . 1 1 107 107 LEU HA H 98 4.230 4.230 3.843 0.387 18219 10397 1 20 . 1 1 107 107 LEU C C 98 174.174 174.174 176.912 -2.738 18219 10398 1 20 . 1 1 107 107 LEU CA C 98 56.283 56.283 55.280 1.003 18219 10399 1 20 . 1 1 107 107 LEU CB C 98 42.362 42.362 39.235 3.127 18219 10400 1 20 . 1 1 107 107 LEU H H 98 7.688 7.688 7.661 0.027 18219 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 94 2.066 -0.002 2.077 18219 2 1 1 "Average Difference" HA 100 0.248 -0.096 0.230 18219 3 1 1 "Average Difference" C 81 2.880 2.694 1.023 18219 4 1 1 "Average Difference" CA 96 1.669 0.772 1.487 18219 5 1 1 "Average Difference" CB 81 3.768 -0.124 3.790 18219 6 1 1 "Average Difference" HN 94 0.360 0.143 0.332 18219 7 1 2 "Average Difference" N 94 2.246 -0.185 2.250 18219 8 1 2 "Average Difference" HA 100 0.247 -0.075 0.237 18219 9 1 2 "Average Difference" C 81 2.866 2.629 1.148 18219 10 1 2 "Average Difference" CA 96 1.665 0.753 1.493 18219 11 1 2 "Average Difference" CB 81 3.753 -0.072 3.776 18219 12 1 2 "Average Difference" HN 94 0.371 0.112 0.356 18219 13 1 3 "Average Difference" N 94 1.988 -0.089 1.996 18219 14 1 3 "Average Difference" HA 100 0.234 -0.064 0.226 18219 15 1 3 "Average Difference" C 81 2.799 2.586 1.077 18219 16 1 3 "Average Difference" CA 96 1.667 0.721 1.511 18219 17 1 3 "Average Difference" CB 81 3.768 -0.116 3.790 18219 18 1 3 "Average Difference" HN 94 0.326 0.110 0.308 18219 19 1 4 "Average Difference" N 94 2.091 -0.325 2.077 18219 20 1 4 "Average Difference" HA 100 0.247 -0.100 0.227 18219 21 1 4 "Average Difference" C 81 2.845 2.632 1.087 18219 22 1 4 "Average Difference" CA 96 1.551 0.831 1.316 18219 23 1 4 "Average Difference" CB 81 3.736 -0.174 3.756 18219 24 1 4 "Average Difference" HN 94 0.339 0.121 0.319 18219 25 1 5 "Average Difference" N 94 2.054 0.021 2.065 18219 26 1 5 "Average Difference" HA 100 0.258 -0.071 0.249 18219 27 1 5 "Average Difference" C 81 2.843 2.619 1.112 18219 28 1 5 "Average Difference" CA 96 1.617 0.772 1.429 18219 29 1 5 "Average Difference" CB 81 3.721 -0.094 3.743 18219 30 1 5 "Average Difference" HN 94 0.403 0.160 0.371 18219 31 1 6 "Average Difference" N 94 2.213 -0.162 2.219 18219 32 1 6 "Average Difference" HA 100 0.258 -0.100 0.239 18219 33 1 6 "Average Difference" C 81 2.812 2.566 1.157 18219 34 1 6 "Average Difference" CA 96 1.618 0.790 1.419 18219 35 1 6 "Average Difference" CB 81 3.751 -0.220 3.768 18219 36 1 6 "Average Difference" HN 94 0.408 0.172 0.372 18219 37 1 7 "Average Difference" N 94 2.165 -0.104 2.174 18219 38 1 7 "Average Difference" HA 100 0.231 -0.064 0.223 18219 39 1 7 "Average Difference" C 81 2.814 2.605 1.071 18219 40 1 7 "Average Difference" CA 96 1.623 0.822 1.407 18219 41 1 7 "Average Difference" CB 81 3.727 -0.182 3.745 18219 42 1 7 "Average Difference" HN 94 0.408 0.148 0.382 18219 43 1 8 "Average Difference" N 94 2.179 -0.147 2.186 18219 44 1 8 "Average Difference" HA 100 0.256 -0.102 0.235 18219 45 1 8 "Average Difference" C 81 2.864 2.660 1.069 18219 46 1 8 "Average Difference" CA 96 1.638 0.755 1.461 18219 47 1 8 "Average Difference" CB 81 3.744 -0.145 3.765 18219 48 1 8 "Average Difference" HN 94 0.354 0.107 0.340 18219 49 1 9 "Average Difference" N 94 2.260 -0.240 2.260 18219 50 1 9 "Average Difference" HA 100 0.255 -0.094 0.239 18219 51 1 9 "Average Difference" C 81 2.893 2.696 1.055 18219 52 1 9 "Average Difference" CA 96 1.636 0.772 1.450 18219 53 1 9 "Average Difference" CB 81 3.763 -0.207 3.780 18219 54 1 9 "Average Difference" HN 94 0.392 0.120 0.375 18219 55 1 10 "Average Difference" N 94 2.022 -0.332 2.005 18219 56 1 10 "Average Difference" HA 100 0.246 -0.077 0.235 18219 57 1 10 "Average Difference" C 81 2.861 2.671 1.032 18219 58 1 10 "Average Difference" CA 96 1.643 0.841 1.419 18219 59 1 10 "Average Difference" CB 81 3.759 -0.222 3.776 18219 60 1 10 "Average Difference" HN 94 0.354 0.154 0.320 18219 61 1 11 "Average Difference" N 94 2.390 0.042 2.403 18219 62 1 11 "Average Difference" HA 100 0.260 -0.081 0.249 18219 63 1 11 "Average Difference" C 81 2.908 2.665 1.169 18219 64 1 11 "Average Difference" CA 96 1.677 0.784 1.490 18219 65 1 11 "Average Difference" CB 81 3.810 -0.066 3.833 18219 66 1 11 "Average Difference" HN 94 0.430 0.185 0.391 18219 67 1 12 "Average Difference" N 94 2.085 -0.472 2.042 18219 68 1 12 "Average Difference" HA 100 0.235 -0.081 0.222 18219 69 1 12 "Average Difference" C 81 2.787 2.580 1.060 18219 70 1 12 "Average Difference" CA 96 1.530 0.689 1.373 18219 71 1 12 "Average Difference" CB 81 3.740 -0.111 3.762 18219 72 1 12 "Average Difference" HN 94 0.367 0.154 0.335 18219 73 1 13 "Average Difference" N 94 2.097 0.013 2.109 18219 74 1 13 "Average Difference" HA 100 0.255 -0.084 0.242 18219 75 1 13 "Average Difference" C 81 2.856 2.611 1.164 18219 76 1 13 "Average Difference" CA 96 1.660 0.820 1.451 18219 77 1 13 "Average Difference" CB 81 3.723 -0.181 3.742 18219 78 1 13 "Average Difference" HN 94 0.375 0.125 0.355 18219 79 1 14 "Average Difference" N 94 2.039 -0.047 2.049 18219 80 1 14 "Average Difference" HA 100 0.242 -0.058 0.236 18219 81 1 14 "Average Difference" C 81 2.808 2.587 1.098 18219 82 1 14 "Average Difference" CA 96 1.600 0.732 1.430 18219 83 1 14 "Average Difference" CB 81 3.728 -0.047 3.751 18219 84 1 14 "Average Difference" HN 94 0.380 0.126 0.360 18219 85 1 15 "Average Difference" N 94 2.175 -0.082 2.185 18219 86 1 15 "Average Difference" HA 100 0.224 -0.058 0.218 18219 87 1 15 "Average Difference" C 81 2.796 2.550 1.155 18219 88 1 15 "Average Difference" CA 96 1.528 0.666 1.383 18219 89 1 15 "Average Difference" CB 81 3.736 -0.172 3.755 18219 90 1 15 "Average Difference" HN 94 0.383 0.163 0.349 18219 91 1 16 "Average Difference" N 94 1.830 -0.174 1.831 18219 92 1 16 "Average Difference" HA 100 0.224 -0.078 0.210 18219 93 1 16 "Average Difference" C 81 2.861 2.657 1.066 18219 94 1 16 "Average Difference" CA 96 1.635 0.789 1.439 18219 95 1 16 "Average Difference" CB 81 3.830 -0.175 3.850 18219 96 1 16 "Average Difference" HN 94 0.367 0.141 0.340 18219 97 1 17 "Average Difference" N 94 2.001 -0.278 1.992 18219 98 1 17 "Average Difference" HA 100 0.249 -0.093 0.232 18219 99 1 17 "Average Difference" C 81 2.874 2.646 1.130 18219 100 1 17 "Average Difference" CA 96 1.597 0.789 1.396 18219 101 1 17 "Average Difference" CB 81 3.747 -0.184 3.766 18219 102 1 17 "Average Difference" HN 94 0.384 0.132 0.362 18219 103 1 18 "Average Difference" N 94 1.947 -0.040 1.957 18219 104 1 18 "Average Difference" HA 100 0.263 -0.078 0.252 18219 105 1 18 "Average Difference" C 81 2.807 2.615 1.027 18219 106 1 18 "Average Difference" CA 96 1.690 0.825 1.483 18219 107 1 18 "Average Difference" CB 81 3.764 -0.162 3.784 18219 108 1 18 "Average Difference" HN 94 0.407 0.180 0.367 18219 109 1 19 "Average Difference" N 94 2.163 -0.254 2.159 18219 110 1 19 "Average Difference" HA 100 0.232 -0.086 0.217 18219 111 1 19 "Average Difference" C 81 2.852 2.628 1.116 18219 112 1 19 "Average Difference" CA 96 1.570 0.756 1.384 18219 113 1 19 "Average Difference" CB 81 3.750 -0.116 3.772 18219 114 1 19 "Average Difference" HN 94 0.348 0.160 0.311 18219 115 1 20 "Average Difference" N 94 2.171 -0.162 2.177 18219 116 1 20 "Average Difference" HA 100 0.218 -0.044 0.214 18219 117 1 20 "Average Difference" C 81 2.843 2.594 1.171 18219 118 1 20 "Average Difference" CA 96 1.494 0.608 1.372 18219 119 1 20 "Average Difference" CB 81 3.785 -0.211 3.803 18219 120 1 20 "Average Difference" HN 94 0.408 0.168 0.374 18219 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 18219 _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 11 11 ASP N N 2 120.536 120.536 121.541 -1.005 18219 2 1 . 1 1 11 11 ASP CA C 2 55.918 55.918 54.282 1.636 18219 3 1 . 1 1 11 11 ASP CB C 2 37.959 37.959 41.816 -3.857 18219 4 1 . 1 1 11 11 ASP H H 2 7.863 7.863 8.304 -0.441 18219 5 1 . 1 1 12 12 LEU N N 3 121.414 121.414 122.513 -1.099 18219 6 1 . 1 1 12 12 LEU C C 3 176.162 176.162 178.813 -2.651 18219 7 1 . 1 1 12 12 LEU CA C 3 57.600 57.600 56.170 1.430 18219 8 1 . 1 1 12 12 LEU CB C 3 41.657 41.657 42.306 -0.649 18219 9 1 . 1 1 12 12 LEU H H 3 8.285 8.285 8.193 0.092 18219 10 1 . 1 1 13 13 ILE N N 4 118.854 118.854 118.380 0.474 18219 11 1 . 1 1 13 13 ILE HA H 4 3.740 3.740 3.829 -0.089 18219 12 1 . 1 1 13 13 ILE C C 4 175.228 175.228 177.747 -2.519 18219 13 1 . 1 1 13 13 ILE CA C 4 64.500 64.500 63.415 1.085 18219 14 1 . 1 1 13 13 ILE CB C 4 37.102 37.102 38.095 -0.993 18219 15 1 . 1 1 13 13 ILE H H 4 8.031 8.031 7.916 0.115 18219 16 1 . 1 1 14 14 GLY N N 5 107.478 107.478 106.566 0.912 18219 17 1 . 1 1 14 14 GLY C C 5 174.424 174.424 175.835 -1.411 18219 18 1 . 1 1 14 14 GLY CA C 5 47.059 47.059 46.623 0.436 18219 19 1 . 1 1 14 14 GLY H H 5 8.148 8.148 8.296 -0.148 18219 20 1 . 1 1 15 15 PHE N N 6 122.774 122.774 123.632 -0.858 18219 21 1 . 1 1 15 15 PHE HA H 6 4.480 4.480 4.318 0.162 18219 22 1 . 1 1 15 15 PHE C C 6 175.113 175.113 177.118 -2.005 18219 23 1 . 1 1 15 15 PHE CA C 6 60.017 60.017 61.654 -1.637 18219 24 1 . 1 1 15 15 PHE CB C 6 38.774 38.774 38.625 0.149 18219 25 1 . 1 1 15 15 PHE H H 6 8.194 8.194 8.310 -0.116 18219 26 1 . 1 1 16 16 GLY N N 7 107.938 107.938 106.628 1.310 18219 27 1 . 1 1 16 16 GLY C C 7 171.838 171.838 175.676 -3.838 18219 28 1 . 1 1 16 16 GLY CA C 7 47.100 47.100 47.526 -0.426 18219 29 1 . 1 1 16 16 GLY H H 7 8.697 8.697 8.597 0.100 18219 30 1 . 1 1 17 17 TYR N N 8 121.785 121.785 123.346 -1.561 18219 31 1 . 1 1 17 17 TYR HA H 8 4.150 4.150 4.129 0.021 18219 32 1 . 1 1 17 17 TYR C C 8 174.180 174.180 177.627 -3.447 18219 33 1 . 1 1 17 17 TYR CA C 8 61.300 61.300 61.083 0.217 18219 34 1 . 1 1 17 17 TYR CB C 8 37.959 37.959 38.337 -0.378 18219 35 1 . 1 1 17 17 TYR H H 8 8.710 8.710 8.193 0.517 18219 36 1 . 1 1 18 18 ALA N N 9 120.233 120.233 120.329 -0.096 18219 37 1 . 1 1 18 18 ALA HA H 9 3.950 3.950 3.971 -0.021 18219 38 1 . 1 1 18 18 ALA C C 9 178.059 178.059 178.969 -0.910 18219 39 1 . 1 1 18 18 ALA CA C 9 54.872 54.872 54.526 0.346 18219 40 1 . 1 1 18 18 ALA CB C 9 17.562 17.562 17.868 -0.306 18219 41 1 . 1 1 18 18 ALA H H 9 7.843 7.843 8.282 -0.439 18219 42 1 . 1 1 19 19 ALA N N 10 121.797 121.797 122.954 -1.157 18219 43 1 . 1 1 19 19 ALA HA H 10 3.950 3.950 3.978 -0.028 18219 44 1 . 1 1 19 19 ALA C C 10 176.191 176.191 179.436 -3.245 18219 45 1 . 1 1 19 19 ALA CA C 10 54.600 54.600 54.908 -0.309 18219 46 1 . 1 1 19 19 ALA CB C 10 17.562 17.562 18.298 -0.736 18219 47 1 . 1 1 19 19 ALA H H 10 8.212 8.212 8.041 0.171 18219 48 1 . 1 1 20 20 LEU N N 11 119.442 119.442 117.481 1.961 18219 49 1 . 1 1 20 20 LEU HA H 11 3.937 3.937 3.994 -0.057 18219 50 1 . 1 1 20 20 LEU C C 11 176.694 176.694 178.846 -2.152 18219 51 1 . 1 1 20 20 LEU CA C 11 57.800 57.800 57.929 -0.129 18219 52 1 . 1 1 20 20 LEU CB C 11 41.222 41.222 41.041 0.181 18219 53 1 . 1 1 20 20 LEU H H 11 8.065 8.065 8.184 -0.119 18219 54 1 . 1 1 21 21 VAL N N 12 118.323 118.323 120.395 -2.072 18219 55 1 . 1 1 21 21 VAL HA H 12 3.640 3.640 3.537 0.103 18219 56 1 . 1 1 21 21 VAL C C 12 176.536 176.536 178.505 -1.969 18219 57 1 . 1 1 21 21 VAL CA C 12 65.400 65.400 66.836 -1.436 18219 58 1 . 1 1 21 21 VAL CB C 12 31.135 31.135 30.769 0.366 18219 59 1 . 1 1 21 21 VAL H H 12 8.051 8.051 8.342 -0.291 18219 60 1 . 1 1 22 22 THR N N 13 118.298 118.298 116.574 1.724 18219 61 1 . 1 1 22 22 THR HA H 13 4.660 4.660 4.027 0.634 18219 62 1 . 1 1 22 22 THR C C 13 173.734 173.734 176.578 -2.844 18219 63 1 . 1 1 22 22 THR CA C 13 66.300 66.300 66.748 -0.448 18219 64 1 . 1 1 22 22 THR CB C 13 67.775 67.775 68.523 -0.748 18219 65 1 . 1 1 22 22 THR H H 13 7.944 7.944 8.008 -0.064 18219 66 1 . 1 1 23 23 PHE N N 14 121.328 121.328 122.487 -1.159 18219 67 1 . 1 1 23 23 PHE HA H 14 4.340 4.340 4.225 0.115 18219 68 1 . 1 1 23 23 PHE C C 14 174.783 174.783 177.314 -2.531 18219 69 1 . 1 1 23 23 PHE CA C 14 60.500 60.500 61.649 -1.149 18219 70 1 . 1 1 23 23 PHE CB C 14 38.626 38.626 38.871 -0.245 18219 71 1 . 1 1 23 23 PHE H H 14 8.567 8.567 8.417 0.150 18219 72 1 . 1 1 24 24 GLY N N 15 106.871 106.871 105.283 1.588 18219 73 1 . 1 1 24 24 GLY C C 15 172.858 172.858 176.580 -3.722 18219 74 1 . 1 1 24 24 GLY CA C 15 46.900 46.900 47.214 -0.314 18219 75 1 . 1 1 24 24 GLY H H 15 8.475 8.475 8.957 -0.482 18219 76 1 . 1 1 25 25 SER N N 16 116.214 116.214 117.779 -1.565 18219 77 1 . 1 1 25 25 SER HA H 16 4.280 4.280 4.297 -0.017 18219 78 1 . 1 1 25 25 SER CA C 16 60.300 60.300 61.648 -1.348 18219 79 1 . 1 1 25 25 SER CB C 16 62.879 62.879 63.206 -0.327 18219 80 1 . 1 1 25 25 SER H H 16 7.963 7.963 7.946 0.017 18219 81 1 . 1 1 26 26 ILE N N 17 121.024 121.024 121.863 -0.839 18219 82 1 . 1 1 26 26 ILE HA H 17 3.946 3.946 3.780 0.166 18219 83 1 . 1 1 26 26 ILE C C 17 173.935 173.935 178.066 -4.131 18219 84 1 . 1 1 26 26 ILE CA C 17 63.100 63.100 64.354 -1.254 18219 85 1 . 1 1 26 26 ILE CB C 17 38.107 38.107 37.828 0.278 18219 86 1 . 1 1 26 26 ILE H H 17 7.676 7.676 8.020 -0.344 18219 87 1 . 1 1 27 27 PHE N N 18 117.142 117.142 118.964 -1.822 18219 88 1 . 1 1 27 27 PHE HA H 18 4.430 4.430 4.054 0.376 18219 89 1 . 1 1 27 27 PHE C C 18 173.504 173.504 176.903 -3.399 18219 90 1 . 1 1 27 27 PHE CA C 18 58.500 58.500 60.655 -2.154 18219 91 1 . 1 1 27 27 PHE CB C 18 38.774 38.774 39.054 -0.280 18219 92 1 . 1 1 27 27 PHE H H 18 7.703 7.703 8.237 -0.534 18219 93 1 . 1 1 28 28 GLY N N 19 107.303 107.303 106.184 1.119 18219 94 1 . 1 1 28 28 GLY C C 19 171.593 171.593 174.117 -2.524 18219 95 1 . 1 1 28 28 GLY CA C 19 45.600 45.600 45.482 0.118 18219 96 1 . 1 1 28 28 GLY H H 19 7.722 7.722 7.794 -0.072 18219 97 1 . 1 1 29 29 TYR N N 20 119.862 119.862 118.891 0.971 18219 98 1 . 1 1 29 29 TYR HA H 20 4.392 4.392 4.210 0.182 18219 99 1 . 1 1 29 29 TYR C C 20 173.174 173.174 175.286 -2.112 18219 100 1 . 1 1 29 29 TYR CA C 20 58.500 58.500 58.048 0.452 18219 101 1 . 1 1 29 29 TYR CB C 20 38.404 38.404 37.960 0.445 18219 102 1 . 1 1 29 29 TYR H H 20 7.880 7.880 8.084 -0.204 18219 103 1 . 1 1 30 30 LYS N N 21 122.335 122.335 123.727 -1.392 18219 104 1 . 1 1 30 30 LYS HA H 21 4.390 4.390 4.023 0.367 18219 105 1 . 1 1 30 30 LYS C C 21 173.547 173.547 176.534 -2.987 18219 106 1 . 1 1 30 30 LYS CA C 21 55.800 55.800 57.511 -1.711 18219 107 1 . 1 1 30 30 LYS CB C 21 32.396 32.396 32.827 -0.431 18219 108 1 . 1 1 30 30 LYS H H 21 7.934 7.934 8.314 -0.380 18219 109 1 . 1 1 31 31 ARG N N 22 120.612 120.612 122.162 -1.550 18219 110 1 . 1 1 31 31 ARG C C 22 173.547 173.547 175.974 -2.427 18219 111 1 . 1 1 31 31 ARG CA C 22 55.834 55.834 55.991 -0.157 18219 112 1 . 1 1 31 31 ARG CB C 22 30.101 30.101 30.644 -0.543 18219 113 1 . 1 1 31 31 ARG H H 22 7.905 7.905 8.459 -0.554 18219 114 1 . 1 1 32 32 ARG N N 23 121.748 121.748 122.151 -0.403 18219 115 1 . 1 1 32 32 ARG HA H 23 4.310 4.310 4.328 -0.018 18219 116 1 . 1 1 32 32 ARG C C 23 173.863 173.863 176.478 -2.615 18219 117 1 . 1 1 32 32 ARG CA C 23 55.800 55.800 56.846 -1.046 18219 118 1 . 1 1 32 32 ARG CB C 23 30.245 30.245 30.677 -0.432 18219 119 1 . 1 1 32 32 ARG H H 23 8.175 8.175 8.493 -0.318 18219 120 1 . 1 1 33 33 GLY N N 24 109.528 109.528 105.728 3.800 18219 121 1 . 1 1 33 33 GLY C C 24 171.752 171.752 173.493 -1.741 18219 122 1 . 1 1 33 33 GLY CA C 24 44.900 44.900 44.585 0.315 18219 123 1 . 1 1 33 33 GLY H H 24 8.264 8.264 8.112 0.152 18219 124 1 . 1 1 34 34 GLY N N 25 108.563 108.563 108.643 -0.080 18219 125 1 . 1 1 34 34 GLY C C 25 171.701 171.701 174.536 -2.835 18219 126 1 . 1 1 34 34 GLY CA C 25 44.600 44.600 44.777 -0.177 18219 127 1 . 1 1 34 34 GLY H H 25 8.208 8.208 8.034 0.174 18219 128 1 . 1 1 35 35 VAL N N 26 121.164 121.164 121.519 -0.355 18219 129 1 . 1 1 35 35 VAL HA H 26 4.010 4.010 4.009 0.001 18219 130 1 . 1 1 35 35 VAL C C 26 175.888 175.888 175.460 0.428 18219 131 1 . 1 1 35 35 VAL CA C 26 63.900 63.900 64.550 -0.650 18219 132 1 . 1 1 35 35 VAL CB C 26 30.690 30.690 31.223 -0.533 18219 133 1 . 1 1 35 35 VAL H H 26 8.485 8.485 8.211 0.274 18219 134 1 . 1 1 36 36 PRO C C 27 177.660 177.660 176.091 1.569 18219 135 1 . 1 1 36 36 PRO CA C 27 61.847 61.847 63.080 -1.233 18219 136 1 . 1 1 37 37 SER N N 28 116.023 116.023 115.175 0.848 18219 137 1 . 1 1 37 37 SER HA H 28 4.280 4.280 4.509 -0.229 18219 138 1 . 1 1 37 37 SER CA C 28 61.100 61.100 59.782 1.318 18219 139 1 . 1 1 37 37 SER H H 28 7.948 7.948 8.372 -0.424 18219 140 1 . 1 1 38 38 LEU N N 29 124.029 124.029 121.652 2.377 18219 141 1 . 1 1 38 38 LEU HA H 29 4.170 4.170 4.068 0.102 18219 142 1 . 1 1 38 38 LEU C C 29 176.132 176.132 178.555 -2.423 18219 143 1 . 1 1 38 38 LEU CA C 29 57.500 57.500 58.155 -0.655 18219 144 1 . 1 1 38 38 LEU CB C 29 42.038 42.038 40.819 1.219 18219 145 1 . 1 1 38 38 LEU H H 29 8.201 8.201 7.806 0.395 18219 146 1 . 1 1 39 39 ILE N N 30 117.098 117.098 118.810 -1.712 18219 147 1 . 1 1 39 39 ILE HA H 30 4.370 4.370 3.806 0.564 18219 148 1 . 1 1 39 39 ILE C C 30 176.478 176.478 177.526 -1.048 18219 149 1 . 1 1 39 39 ILE CA C 30 63.079 63.079 63.326 -0.247 18219 150 1 . 1 1 39 39 ILE CB C 30 36.973 36.973 36.908 0.065 18219 151 1 . 1 1 39 39 ILE H H 30 7.662 7.662 8.133 -0.471 18219 152 1 . 1 1 40 40 ALA N N 31 122.447 122.447 122.489 -0.042 18219 153 1 . 1 1 40 40 ALA HA H 31 4.034 4.034 4.068 -0.034 18219 154 1 . 1 1 40 40 ALA C C 31 177.067 177.067 179.685 -2.618 18219 155 1 . 1 1 40 40 ALA CA C 31 55.962 55.962 55.402 0.560 18219 156 1 . 1 1 40 40 ALA CB C 31 17.856 17.856 18.002 -0.146 18219 157 1 . 1 1 40 40 ALA H H 31 8.096 8.096 7.865 0.231 18219 158 1 . 1 1 41 41 GLY N N 32 104.056 104.056 107.688 -3.632 18219 159 1 . 1 1 41 41 GLY C C 32 174.251 174.251 175.927 -1.676 18219 160 1 . 1 1 41 41 GLY CA C 32 46.500 46.500 46.874 -0.374 18219 161 1 . 1 1 41 41 GLY H H 32 8.123 8.123 8.191 -0.068 18219 162 1 . 1 1 42 42 LEU N N 33 123.250 123.250 123.111 0.140 18219 163 1 . 1 1 42 42 LEU HA H 33 3.857 3.857 3.984 -0.127 18219 164 1 . 1 1 42 42 LEU C C 33 176.033 176.033 178.366 -2.333 18219 165 1 . 1 1 42 42 LEU CA C 33 56.668 56.668 58.127 -1.459 18219 166 1 . 1 1 42 42 LEU CB C 33 41.721 41.721 42.013 -0.292 18219 167 1 . 1 1 42 42 LEU H H 33 7.914 7.914 8.278 -0.364 18219 168 1 . 1 1 43 43 PHE N N 34 119.757 119.757 119.059 0.698 18219 169 1 . 1 1 43 43 PHE HA H 34 4.200 4.200 4.064 0.136 18219 170 1 . 1 1 43 43 PHE C C 34 174.374 174.374 177.441 -3.067 18219 171 1 . 1 1 43 43 PHE CA C 34 59.876 59.876 62.075 -2.199 18219 172 1 . 1 1 43 43 PHE CB C 34 38.834 38.834 38.915 -0.081 18219 173 1 . 1 1 43 43 PHE H H 34 8.287 8.287 8.229 0.058 18219 174 1 . 1 1 44 44 VAL N N 35 117.791 117.791 118.462 -0.671 18219 175 1 . 1 1 44 44 VAL HA H 35 3.610 3.610 3.624 -0.014 18219 176 1 . 1 1 44 44 VAL C C 35 176.205 176.205 178.552 -2.347 18219 177 1 . 1 1 44 44 VAL CA C 35 64.559 64.559 66.667 -2.108 18219 178 1 . 1 1 44 44 VAL CB C 35 31.432 31.432 31.126 0.306 18219 179 1 . 1 1 44 44 VAL H H 35 8.235 8.235 8.374 -0.139 18219 180 1 . 1 1 45 45 GLY N N 36 108.551 108.551 107.092 1.459 18219 181 1 . 1 1 45 45 GLY C C 36 173.749 173.749 175.796 -2.047 18219 182 1 . 1 1 45 45 GLY CA C 36 46.083 46.083 47.143 -1.060 18219 183 1 . 1 1 45 45 GLY H H 36 8.178 8.178 8.466 -0.288 18219 184 1 . 1 1 46 46 CYS N N 37 121.173 121.173 122.379 -1.206 18219 185 1 . 1 1 46 46 CYS HA H 37 4.180 4.180 4.111 0.069 18219 186 1 . 1 1 46 46 CYS C C 37 173.710 173.710 176.604 -2.894 18219 187 1 . 1 1 46 46 CYS CA C 37 63.000 63.000 63.835 -0.835 18219 188 1 . 1 1 46 46 CYS CB C 37 60.283 60.283 27.651 32.632 18219 189 1 . 1 1 46 46 CYS H H 37 8.253 8.253 8.084 0.169 18219 190 1 . 1 1 47 47 LEU N N 38 120.283 120.283 119.805 0.478 18219 191 1 . 1 1 47 47 LEU HA H 38 4.060 4.060 4.026 0.034 18219 192 1 . 1 1 47 47 LEU C C 38 176.679 176.679 178.288 -1.609 18219 193 1 . 1 1 47 47 LEU CA C 38 56.027 56.027 57.979 -1.952 18219 194 1 . 1 1 47 47 LEU CB C 38 41.464 41.464 40.803 0.661 18219 195 1 . 1 1 47 47 LEU H H 38 7.965 7.965 8.392 -0.427 18219 196 1 . 1 1 48 48 ALA N N 39 122.249 122.249 122.225 0.024 18219 197 1 . 1 1 48 48 ALA HA H 39 4.142 4.142 4.001 0.141 18219 198 1 . 1 1 48 48 ALA C C 39 177.915 177.915 179.606 -1.691 18219 199 1 . 1 1 48 48 ALA CA C 39 53.717 53.717 55.225 -1.508 18219 200 1 . 1 1 48 48 ALA CB C 39 17.985 17.985 18.088 -0.103 18219 201 1 . 1 1 48 48 ALA H H 39 8.066 8.066 8.109 -0.043 18219 202 1 . 1 1 49 49 GLY N N 40 107.377 107.377 107.285 0.092 18219 203 1 . 1 1 49 49 GLY C C 40 172.527 172.527 175.653 -3.126 18219 204 1 . 1 1 49 49 GLY CA C 40 45.450 45.450 46.722 -1.272 18219 205 1 . 1 1 49 49 GLY H H 40 8.172 8.172 8.207 -0.035 18219 206 1 . 1 1 50 50 TYR N N 41 122.409 122.409 123.454 -1.045 18219 207 1 . 1 1 50 50 TYR HA H 41 3.799 3.799 4.100 -0.301 18219 208 1 . 1 1 50 50 TYR C C 41 174.208 174.208 177.404 -3.196 18219 209 1 . 1 1 50 50 TYR CA C 41 59.245 59.245 61.000 -1.755 18219 210 1 . 1 1 50 50 TYR CB C 41 37.936 37.936 38.450 -0.514 18219 211 1 . 1 1 50 50 TYR H H 41 7.800 7.800 8.443 -0.643 18219 212 1 . 1 1 51 51 GLY N N 42 106.935 106.935 105.676 1.259 18219 213 1 . 1 1 51 51 GLY C C 42 172.642 172.642 175.335 -2.693 18219 214 1 . 1 1 51 51 GLY CA C 42 46.265 46.265 45.525 0.740 18219 215 1 . 1 1 51 51 GLY H H 42 8.199 8.199 8.054 0.145 18219 216 1 . 1 1 52 52 ALA N N 43 123.018 123.018 125.062 -2.044 18219 217 1 . 1 1 52 52 ALA HA H 43 4.150 4.150 4.042 0.108 18219 218 1 . 1 1 52 52 ALA C C 43 176.398 176.398 178.719 -2.321 18219 219 1 . 1 1 52 52 ALA CA C 43 52.883 52.883 53.992 -1.109 18219 220 1 . 1 1 52 52 ALA CB C 43 18.241 18.241 18.573 -0.332 18219 221 1 . 1 1 52 52 ALA H H 43 7.758 7.758 7.983 -0.225 18219 222 1 . 1 1 53 53 TYR N N 44 119.664 119.664 118.092 1.572 18219 223 1 . 1 1 53 53 TYR HA H 44 4.318 4.318 4.105 0.213 18219 224 1 . 1 1 53 53 TYR C C 44 174.180 174.180 176.723 -2.543 18219 225 1 . 1 1 53 53 TYR CA C 44 58.593 58.593 60.708 -2.115 18219 226 1 . 1 1 53 53 TYR CB C 44 38.192 38.192 37.830 0.362 18219 227 1 . 1 1 53 53 TYR H H 44 7.920 7.920 8.216 -0.296 18219 228 1 . 1 1 54 54 ARG N N 45 119.516 119.516 118.011 1.505 18219 229 1 . 1 1 54 54 ARG HA H 45 3.930 3.930 4.268 -0.338 18219 230 1 . 1 1 54 54 ARG C C 45 174.423 174.423 176.238 -1.815 18219 231 1 . 1 1 54 54 ARG CA C 45 56.027 56.027 56.491 -0.463 18219 232 1 . 1 1 54 54 ARG CB C 45 30.173 30.173 30.912 -0.739 18219 233 1 . 1 1 54 54 ARG H H 45 7.956 7.956 8.135 -0.179 18219 234 1 . 1 1 55 55 VAL N N 46 116.437 116.437 118.447 -2.010 18219 235 1 . 1 1 55 55 VAL HA H 46 4.060 4.060 3.831 0.229 18219 236 1 . 1 1 55 55 VAL C C 46 173.806 173.806 175.345 -1.539 18219 237 1 . 1 1 55 55 VAL CA C 46 62.300 62.300 63.598 -1.298 18219 238 1 . 1 1 55 55 VAL CB C 46 31.521 31.521 31.710 -0.189 18219 239 1 . 1 1 55 55 VAL H H 46 7.489 7.489 7.808 -0.319 18219 240 1 . 1 1 56 56 SER N N 47 117.185 117.185 113.984 3.201 18219 241 1 . 1 1 56 56 SER HA H 47 4.401 4.401 4.308 0.093 18219 242 1 . 1 1 56 56 SER C C 47 172.074 172.074 174.832 -2.758 18219 243 1 . 1 1 56 56 SER CA C 47 58.133 58.133 59.538 -1.405 18219 244 1 . 1 1 56 56 SER CB C 47 63.468 63.468 63.581 -0.113 18219 245 1 . 1 1 56 56 SER H H 47 7.728 7.728 7.789 -0.061 18219 246 1 . 1 1 57 57 ASN N N 48 121.049 121.049 122.171 -1.122 18219 247 1 . 1 1 57 57 ASN HA H 48 4.590 4.590 4.566 0.024 18219 248 1 . 1 1 57 57 ASN CA C 48 53.600 53.600 55.058 -1.458 18219 249 1 . 1 1 57 57 ASN CB C 48 38.641 38.641 38.126 0.514 18219 250 1 . 1 1 57 57 ASN H H 48 8.228 8.228 8.620 -0.392 18219 251 1 . 1 1 58 58 ASP N N 49 120.276 120.276 120.375 -0.099 18219 252 1 . 1 1 58 58 ASP HA H 49 4.530 4.530 4.610 -0.080 18219 253 1 . 1 1 58 58 ASP CA C 49 54.202 54.202 54.613 -0.411 18219 254 1 . 1 1 58 58 ASP CB C 49 40.374 40.374 41.728 -1.354 18219 255 1 . 1 1 58 58 ASP H H 49 8.192 8.192 8.376 -0.184 18219 256 1 . 1 1 59 59 LYS N N 50 120.660 120.660 117.635 3.025 18219 257 1 . 1 1 59 59 LYS HA H 50 4.200 4.200 4.179 0.021 18219 258 1 . 1 1 59 59 LYS C C 50 173.474 173.474 175.507 -2.033 18219 259 1 . 1 1 59 59 LYS CA C 50 56.300 56.300 56.431 -0.131 18219 260 1 . 1 1 59 59 LYS CB C 50 32.034 32.034 32.854 -0.820 18219 261 1 . 1 1 59 59 LYS H H 50 8.003 8.003 7.825 0.178 18219 262 1 . 1 1 60 60 ARG N N 51 121.278 121.278 119.990 1.288 18219 263 1 . 1 1 60 60 ARG HA H 51 4.200 4.200 4.120 0.080 18219 264 1 . 1 1 60 60 ARG C C 51 173.303 173.303 175.392 -2.090 18219 265 1 . 1 1 60 60 ARG CA C 51 56.283 56.283 57.318 -1.035 18219 266 1 . 1 1 60 60 ARG CB C 51 30.238 30.238 30.558 -0.320 18219 267 1 . 1 1 60 60 ARG H H 51 8.091 8.091 8.317 -0.226 18219 268 1 . 1 1 61 61 ASP N N 52 121.185 121.185 118.532 2.653 18219 269 1 . 1 1 61 61 ASP HA H 52 4.615 4.615 4.683 -0.068 18219 270 1 . 1 1 61 61 ASP C C 52 173.777 173.777 177.277 -3.500 18219 271 1 . 1 1 61 61 ASP CA C 52 53.979 53.979 55.609 -1.630 18219 272 1 . 1 1 61 61 ASP CB C 52 40.245 40.245 41.539 -1.294 18219 273 1 . 1 1 61 61 ASP H H 52 8.261 8.261 8.392 -0.131 18219 274 1 . 1 1 62 62 VAL N N 53 121.902 121.902 120.240 1.662 18219 275 1 . 1 1 62 62 VAL HA H 53 3.950 3.950 4.059 -0.108 18219 276 1 . 1 1 62 62 VAL C C 53 173.279 173.279 177.068 -3.789 18219 277 1 . 1 1 62 62 VAL CA C 53 63.176 63.176 64.297 -1.121 18219 278 1 . 1 1 62 62 VAL CB C 53 32.099 32.099 31.954 0.145 18219 279 1 . 1 1 62 62 VAL H H 53 7.997 7.997 8.182 -0.185 18219 280 1 . 1 1 63 63 LYS N N 54 123.522 123.522 121.143 2.379 18219 281 1 . 1 1 63 63 LYS HA H 54 4.260 4.260 4.091 0.169 18219 282 1 . 1 1 63 63 LYS C C 54 174.481 174.481 178.492 -4.011 18219 283 1 . 1 1 63 63 LYS CA C 54 56.347 56.347 59.708 -3.361 18219 284 1 . 1 1 63 63 LYS CB C 54 32.099 32.099 32.012 0.087 18219 285 1 . 1 1 63 63 LYS H H 54 8.054 8.054 8.153 -0.099 18219 286 1 . 1 1 64 64 VAL N N 55 120.647 120.647 118.133 2.514 18219 287 1 . 1 1 64 64 VAL HA H 55 3.947 3.947 3.884 0.063 18219 288 1 . 1 1 64 64 VAL C C 55 174.955 174.955 177.739 -2.784 18219 289 1 . 1 1 64 64 VAL CA C 55 64.600 64.600 65.153 -0.553 18219 290 1 . 1 1 64 64 VAL CB C 55 31.877 31.877 31.020 0.857 18219 291 1 . 1 1 64 64 VAL H H 55 8.225 8.225 8.033 0.192 18219 292 1 . 1 1 65 65 SER N N 56 117.785 117.785 116.481 1.304 18219 293 1 . 1 1 65 65 SER HA H 56 4.390 4.390 4.187 0.203 18219 294 1 . 1 1 65 65 SER C C 56 172.300 172.300 176.590 -4.290 18219 295 1 . 1 1 65 65 SER CA C 56 60.000 60.000 62.174 -2.174 18219 296 1 . 1 1 65 65 SER CB C 56 62.879 62.879 62.976 -0.097 18219 297 1 . 1 1 65 65 SER H H 56 8.260 8.260 7.804 0.456 18219 298 1 . 1 1 66 66 LEU N N 57 123.318 123.318 122.405 0.913 18219 299 1 . 1 1 66 66 LEU HA H 57 4.090 4.090 4.164 -0.074 18219 300 1 . 1 1 66 66 LEU C C 57 175.932 175.932 178.379 -2.447 18219 301 1 . 1 1 66 66 LEU CA C 57 57.502 57.502 58.303 -0.801 18219 302 1 . 1 1 66 66 LEU CB C 57 41.721 41.721 41.876 -0.155 18219 303 1 . 1 1 66 66 LEU H H 57 8.091 8.091 8.201 -0.110 18219 304 1 . 1 1 67 67 PHE N N 58 118.020 118.020 118.518 -0.498 18219 305 1 . 1 1 67 67 PHE HA H 58 4.330 4.330 4.042 0.288 18219 306 1 . 1 1 67 67 PHE C C 58 174.912 174.912 177.794 -2.882 18219 307 1 . 1 1 67 67 PHE CA C 58 60.600 60.600 61.892 -1.292 18219 308 1 . 1 1 67 67 PHE CB C 58 38.552 38.552 38.701 -0.149 18219 309 1 . 1 1 67 67 PHE H H 58 8.066 8.066 8.660 -0.594 18219 310 1 . 1 1 68 68 THR N N 59 115.324 115.324 116.179 -0.855 18219 311 1 . 1 1 68 68 THR HA H 59 4.310 4.310 4.078 0.232 18219 312 1 . 1 1 68 68 THR C C 59 173.380 173.380 176.335 -2.955 18219 313 1 . 1 1 68 68 THR CA C 59 66.313 66.313 67.212 -0.899 18219 314 1 . 1 1 68 68 THR CB C 59 67.700 67.700 68.740 -1.040 18219 315 1 . 1 1 68 68 THR H H 59 8.287 8.287 8.366 -0.079 18219 316 1 . 1 1 69 69 ALA N N 60 123.621 123.621 124.742 -1.121 18219 317 1 . 1 1 69 69 ALA HA H 60 4.280 4.280 4.077 0.203 18219 318 1 . 1 1 69 69 ALA C C 60 176.978 176.978 179.853 -2.875 18219 319 1 . 1 1 69 69 ALA CA C 60 55.100 55.100 55.207 -0.107 18219 320 1 . 1 1 69 69 ALA CB C 60 17.728 17.728 18.246 -0.518 18219 321 1 . 1 1 69 69 ALA H H 60 7.983 7.983 8.179 -0.196 18219 322 1 . 1 1 70 70 PHE N N 61 118.520 118.520 118.147 0.373 18219 323 1 . 1 1 70 70 PHE HA H 61 4.260 4.260 4.177 0.083 18219 324 1 . 1 1 70 70 PHE C C 61 175.369 175.369 177.446 -2.077 18219 325 1 . 1 1 70 70 PHE CA C 61 60.179 60.179 61.693 -1.514 18219 326 1 . 1 1 70 70 PHE CB C 61 38.706 38.706 39.030 -0.324 18219 327 1 . 1 1 70 70 PHE H H 61 8.007 8.007 8.798 -0.791 18219 328 1 . 1 1 71 71 PHE N N 62 122.314 122.314 120.341 1.973 18219 329 1 . 1 1 71 71 PHE HA H 62 4.000 4.000 4.109 -0.109 18219 330 1 . 1 1 71 71 PHE C C 62 174.697 174.697 177.469 -2.772 18219 331 1 . 1 1 71 71 PHE CA C 62 60.517 60.517 62.233 -1.716 18219 332 1 . 1 1 71 71 PHE CB C 62 38.770 38.770 39.013 -0.243 18219 333 1 . 1 1 71 71 PHE H H 62 8.546 8.546 8.123 0.423 18219 334 1 . 1 1 72 72 LEU N N 63 119.399 119.399 119.825 -0.426 18219 335 1 . 1 1 72 72 LEU HA H 63 3.870 3.870 3.875 -0.004 18219 336 1 . 1 1 72 72 LEU C C 63 175.774 175.774 178.701 -2.927 18219 337 1 . 1 1 72 72 LEU CA C 63 56.925 56.925 58.369 -1.444 18219 338 1 . 1 1 72 72 LEU CB C 63 41.207 41.207 41.402 -0.195 18219 339 1 . 1 1 72 72 LEU H H 63 8.396 8.396 8.806 -0.410 18219 340 1 . 1 1 73 73 ALA N N 64 120.221 120.221 120.907 -0.686 18219 341 1 . 1 1 73 73 ALA HA H 64 3.960 3.960 3.890 0.070 18219 342 1 . 1 1 73 73 ALA C C 64 177.267 177.267 179.541 -2.274 18219 343 1 . 1 1 73 73 ALA CA C 64 54.600 54.600 55.404 -0.804 18219 344 1 . 1 1 73 73 ALA CB C 64 17.784 17.784 17.877 -0.093 18219 345 1 . 1 1 73 73 ALA H H 64 8.025 8.025 8.102 -0.077 18219 346 1 . 1 1 74 74 THR N N 65 113.648 113.648 114.770 -1.122 18219 347 1 . 1 1 74 74 THR HA H 65 3.980 3.980 3.946 0.034 18219 348 1 . 1 1 74 74 THR CA C 65 66.291 66.291 66.272 0.019 18219 349 1 . 1 1 74 74 THR CB C 65 67.914 67.914 68.711 -0.796 18219 350 1 . 1 1 74 74 THR H H 65 7.717 7.717 7.793 -0.076 18219 351 1 . 1 1 75 75 ILE N N 66 120.291 120.291 120.831 -0.540 18219 352 1 . 1 1 75 75 ILE HA H 66 3.740 3.740 3.626 0.114 18219 353 1 . 1 1 75 75 ILE C C 66 174.951 174.951 177.843 -2.892 18219 354 1 . 1 1 75 75 ILE CA C 66 64.880 64.880 64.062 0.818 18219 355 1 . 1 1 75 75 ILE CB C 66 37.166 37.166 37.696 -0.530 18219 356 1 . 1 1 75 75 ILE H H 66 7.738 7.738 8.081 -0.343 18219 357 1 . 1 1 76 76 MET N N 67 117.618 117.618 117.311 0.307 18219 358 1 . 1 1 76 76 MET HA H 67 4.220 4.220 4.163 0.057 18219 359 1 . 1 1 76 76 MET C C 67 175.142 175.142 177.526 -2.384 18219 360 1 . 1 1 76 76 MET CA C 67 56.723 56.723 57.934 -1.211 18219 361 1 . 1 1 76 76 MET CB C 67 31.951 31.951 33.442 -1.491 18219 362 1 . 1 1 76 76 MET H H 67 7.823 7.823 8.419 -0.596 18219 363 1 . 1 1 77 77 GLY N N 68 107.110 107.110 104.939 2.171 18219 364 1 . 1 1 77 77 GLY C C 68 172.260 172.260 174.963 -2.703 18219 365 1 . 1 1 77 77 GLY CA C 68 45.800 45.800 45.292 0.508 18219 366 1 . 1 1 77 77 GLY H H 68 7.937 7.937 8.177 -0.239 18219 367 1 . 1 1 78 78 VAL N N 69 120.431 120.431 118.488 1.943 18219 368 1 . 1 1 78 78 VAL HA H 69 4.220 4.220 3.737 0.483 18219 369 1 . 1 1 78 78 VAL CA C 69 63.900 63.900 64.680 -0.781 18219 370 1 . 1 1 78 78 VAL CB C 69 31.506 31.506 31.865 -0.360 18219 371 1 . 1 1 78 78 VAL H H 69 7.697 7.697 8.160 -0.463 18219 372 1 . 1 1 79 79 ARG N N 70 121.420 121.420 118.439 2.981 18219 373 1 . 1 1 79 79 ARG HA H 70 3.810 3.810 4.259 -0.449 18219 374 1 . 1 1 79 79 ARG CA C 70 56.400 56.400 56.548 -0.148 18219 375 1 . 1 1 79 79 ARG CB C 70 30.097 30.097 30.587 -0.490 18219 376 1 . 1 1 79 79 ARG H H 70 7.889 7.889 7.802 0.087 18219 377 1 . 1 1 80 80 PHE N N 71 119.949 119.949 122.941 -2.992 18219 378 1 . 1 1 80 80 PHE HA H 71 4.510 4.510 4.475 0.035 18219 379 1 . 1 1 80 80 PHE CA C 71 58.600 58.600 59.032 -0.432 18219 380 1 . 1 1 80 80 PHE CB C 71 39.145 39.145 39.768 -0.623 18219 381 1 . 1 1 80 80 PHE H H 71 8.101 8.101 8.497 -0.396 18219 382 1 . 1 1 81 81 LYS N N 72 122.193 122.193 121.842 0.351 18219 383 1 . 1 1 81 81 LYS CA C 72 56.800 56.800 56.382 0.418 18219 384 1 . 1 1 81 81 LYS CB C 72 32.322 32.322 33.711 -1.389 18219 385 1 . 1 1 81 81 LYS H H 72 8.090 8.090 8.131 -0.041 18219 386 1 . 1 1 82 82 ARG N N 73 119.650 119.650 120.757 -1.107 18219 387 1 . 1 1 82 82 ARG CA C 73 56.089 56.089 56.665 -0.576 18219 388 1 . 1 1 82 82 ARG CB C 73 30.171 30.171 30.632 -0.461 18219 389 1 . 1 1 82 82 ARG H H 73 8.052 8.052 8.382 -0.330 18219 390 1 . 1 1 83 83 SER N N 74 115.734 115.734 115.935 -0.201 18219 391 1 . 1 1 83 83 SER CA C 74 58.355 58.355 58.296 0.059 18219 392 1 . 1 1 83 83 SER CB C 74 63.404 63.404 64.119 -0.715 18219 393 1 . 1 1 83 83 SER H H 74 7.912 7.912 8.158 -0.246 18219 394 1 . 1 1 84 84 LYS N N 75 122.370 122.370 122.760 -0.390 18219 395 1 . 1 1 84 84 LYS CA C 75 56.135 56.135 56.768 -0.633 18219 396 1 . 1 1 84 84 LYS CB C 75 32.175 32.175 32.166 0.009 18219 397 1 . 1 1 84 84 LYS H H 75 8.067 8.067 8.388 -0.321 18219 398 1 . 1 1 86 86 ILE N N 77 119.592 119.592 117.764 1.828 18219 399 1 . 1 1 86 86 ILE HA H 77 3.810 3.810 4.085 -0.275 18219 400 1 . 1 1 86 86 ILE CA C 77 64.900 64.900 62.044 2.856 18219 401 1 . 1 1 86 86 ILE CB C 77 39.145 39.145 38.749 0.396 18219 402 1 . 1 1 86 86 ILE H H 77 7.837 7.837 7.945 -0.108 18219 403 1 . 1 1 87 87 MET N N 78 121.645 121.645 119.231 2.414 18219 404 1 . 1 1 87 87 MET CA C 78 52.982 52.982 59.242 -6.260 18219 405 1 . 1 1 87 87 MET CB C 78 32.173 32.173 31.062 1.111 18219 406 1 . 1 1 87 87 MET H H 78 7.950 7.950 8.095 -0.145 18219 407 1 . 1 1 88 88 PRO HA H 79 4.140 4.140 4.466 -0.326 18219 408 1 . 1 1 88 88 PRO C C 79 173.921 173.921 176.727 -2.806 18219 409 1 . 1 1 88 88 PRO CA C 79 62.800 62.800 63.114 -0.314 18219 410 1 . 1 1 88 88 PRO CB C 79 31.136 31.136 30.657 0.479 18219 411 1 . 1 1 89 89 ALA N N 80 124.431 124.431 121.930 2.501 18219 412 1 . 1 1 89 89 ALA HA H 80 4.400 4.400 4.066 0.334 18219 413 1 . 1 1 89 89 ALA C C 80 176.234 176.234 179.333 -3.099 18219 414 1 . 1 1 89 89 ALA CA C 80 53.300 53.300 54.782 -1.482 18219 415 1 . 1 1 89 89 ALA CB C 80 18.498 18.498 18.058 0.440 18219 416 1 . 1 1 89 89 ALA H H 80 8.320 8.320 8.448 -0.128 18219 417 1 . 1 1 90 90 GLY N N 81 106.834 106.834 106.695 0.139 18219 418 1 . 1 1 90 90 GLY C C 81 172.398 172.398 175.701 -3.303 18219 419 1 . 1 1 90 90 GLY CA C 81 45.600 45.600 46.809 -1.209 18219 420 1 . 1 1 90 90 GLY H H 81 8.458 8.458 8.451 0.007 18219 421 1 . 1 1 91 91 LEU N N 82 121.043 121.043 121.452 -0.409 18219 422 1 . 1 1 91 91 LEU HA H 82 4.200 4.200 4.046 0.154 18219 423 1 . 1 1 91 91 LEU C C 82 174.783 174.783 178.750 -3.967 18219 424 1 . 1 1 91 91 LEU CA C 82 56.300 56.300 57.983 -1.683 18219 425 1 . 1 1 91 91 LEU CB C 82 42.106 42.106 41.752 0.354 18219 426 1 . 1 1 91 91 LEU H H 82 7.687 7.687 7.803 -0.116 18219 427 1 . 1 1 92 92 VAL N N 83 114.737 114.737 118.160 -3.423 18219 428 1 . 1 1 92 92 VAL HA H 83 3.980 3.980 3.601 0.379 18219 429 1 . 1 1 92 92 VAL C C 83 173.634 173.634 177.774 -4.140 18219 430 1 . 1 1 92 92 VAL CA C 83 62.400 62.400 66.698 -4.298 18219 431 1 . 1 1 92 92 VAL CB C 83 31.585 31.585 31.181 0.403 18219 432 1 . 1 1 92 92 VAL H H 83 7.602 7.602 7.856 -0.254 18219 433 1 . 1 1 93 93 ALA N N 84 124.320 124.320 121.152 3.168 18219 434 1 . 1 1 93 93 ALA HA H 84 4.150 4.150 4.008 0.142 18219 435 1 . 1 1 93 93 ALA C C 84 175.746 175.746 179.854 -4.108 18219 436 1 . 1 1 93 93 ALA CA C 84 53.300 53.300 55.344 -2.044 18219 437 1 . 1 1 93 93 ALA CB C 84 18.241 18.241 17.896 0.345 18219 438 1 . 1 1 93 93 ALA H H 84 7.891 7.891 8.274 -0.383 18219 439 1 . 1 1 94 94 GLY N N 85 106.807 106.807 107.307 -0.500 18219 440 1 . 1 1 94 94 GLY C C 85 171.752 171.752 175.908 -4.156 18219 441 1 . 1 1 94 94 GLY CA C 85 45.249 45.249 46.584 -1.335 18219 442 1 . 1 1 94 94 GLY H H 85 8.204 8.204 8.035 0.169 18219 443 1 . 1 1 95 95 LEU N N 86 121.266 121.266 122.220 -0.954 18219 444 1 . 1 1 95 95 LEU HA H 86 4.380 4.380 4.136 0.244 18219 445 1 . 1 1 95 95 LEU C C 86 173.702 173.702 179.090 -5.388 18219 446 1 . 1 1 95 95 LEU CA C 86 55.000 55.000 57.531 -2.531 18219 447 1 . 1 1 95 95 LEU CB C 86 42.298 42.298 41.248 1.050 18219 448 1 . 1 1 95 95 LEU H H 86 7.718 7.718 8.037 -0.319 18219 449 1 . 1 1 96 96 SER N N 87 115.658 115.658 115.692 -0.034 18219 450 1 . 1 1 96 96 SER HA H 87 4.370 4.370 4.182 0.188 18219 451 1 . 1 1 96 96 SER C C 87 172.479 172.479 176.736 -4.257 18219 452 1 . 1 1 96 96 SER CA C 87 57.200 57.200 62.180 -4.980 18219 453 1 . 1 1 96 96 SER CB C 87 64.174 64.174 63.111 1.063 18219 454 1 . 1 1 96 96 SER H H 87 7.659 7.659 8.189 -0.530 18219 455 1 . 1 1 97 97 LEU N N 88 123.720 123.720 122.522 1.198 18219 456 1 . 1 1 97 97 LEU HA H 88 4.600 4.600 4.000 0.600 18219 457 1 . 1 1 97 97 LEU C C 88 175.932 175.932 178.964 -3.032 18219 458 1 . 1 1 97 97 LEU CA C 88 57.600 57.600 57.901 -0.301 18219 459 1 . 1 1 97 97 LEU CB C 88 41.400 41.400 41.787 -0.387 18219 460 1 . 1 1 97 97 LEU H H 88 8.733 8.733 8.138 0.595 18219 461 1 . 1 1 98 98 MET N N 89 116.684 116.684 119.761 -3.077 18219 462 1 . 1 1 98 98 MET HA H 89 4.280 4.280 4.131 0.149 18219 463 1 . 1 1 98 98 MET C C 89 175.789 175.789 178.011 -2.222 18219 464 1 . 1 1 98 98 MET CA C 89 56.915 56.915 58.806 -1.890 18219 465 1 . 1 1 98 98 MET CB C 89 31.007 31.007 32.646 -1.639 18219 466 1 . 1 1 98 98 MET H H 89 8.342 8.342 8.265 0.077 18219 467 1 . 1 1 99 99 MET N N 90 119.182 119.182 118.274 0.908 18219 468 1 . 1 1 99 99 MET HA H 90 4.110 4.110 4.170 -0.060 18219 469 1 . 1 1 99 99 MET C C 90 175.588 175.588 178.811 -3.223 18219 470 1 . 1 1 99 99 MET CA C 90 57.951 57.951 58.755 -0.804 18219 471 1 . 1 1 99 99 MET CB C 90 32.226 32.226 32.067 0.159 18219 472 1 . 1 1 99 99 MET H H 90 7.720 7.720 8.169 -0.449 18219 473 1 . 1 1 100 100 ILE N N 91 119.077 119.077 120.061 -0.984 18219 474 1 . 1 1 100 100 ILE HA H 91 4.110 4.110 3.903 0.207 18219 475 1 . 1 1 100 100 ILE C C 91 174.634 174.634 177.307 -2.672 18219 476 1 . 1 1 100 100 ILE CA C 91 64.100 64.100 64.389 -0.289 18219 477 1 . 1 1 100 100 ILE CB C 91 37.143 37.143 38.334 -1.191 18219 478 1 . 1 1 100 100 ILE H H 91 7.662 7.662 8.267 -0.605 18219 479 1 . 1 1 101 101 LEU N N 92 119.646 119.646 120.468 -0.822 18219 480 1 . 1 1 101 101 LEU HA H 92 4.530 4.530 4.040 0.490 18219 481 1 . 1 1 101 101 LEU C C 92 175.430 175.430 178.337 -2.907 18219 482 1 . 1 1 101 101 LEU CA C 92 57.800 57.800 57.694 0.106 18219 483 1 . 1 1 101 101 LEU CB C 92 40.758 40.758 41.699 -0.941 18219 484 1 . 1 1 101 101 LEU H H 92 8.142 8.142 7.785 0.357 18219 485 1 . 1 1 102 102 ARG N N 93 116.394 116.394 118.313 -1.919 18219 486 1 . 1 1 102 102 ARG HA H 93 4.140 4.140 4.299 -0.159 18219 487 1 . 1 1 102 102 ARG C C 93 175.961 175.961 178.384 -2.423 18219 488 1 . 1 1 102 102 ARG CA C 93 59.100 59.100 58.314 0.786 18219 489 1 . 1 1 102 102 ARG CB C 93 29.404 29.404 30.841 -1.437 18219 490 1 . 1 1 102 102 ARG H H 93 7.893 7.893 8.165 -0.272 18219 491 1 . 1 1 103 103 LEU N N 94 119.114 119.114 121.513 -2.399 18219 492 1 . 1 1 103 103 LEU HA H 94 4.110 4.110 4.132 -0.022 18219 493 1 . 1 1 103 103 LEU C C 94 175.889 175.889 178.313 -2.424 18219 494 1 . 1 1 103 103 LEU CA C 94 57.300 57.300 57.571 -0.271 18219 495 1 . 1 1 103 103 LEU CB C 94 41.296 41.296 41.877 -0.581 18219 496 1 . 1 1 103 103 LEU H H 94 7.622 7.622 7.903 -0.281 18219 497 1 . 1 1 104 104 VAL N N 95 117.704 117.704 119.064 -1.361 18219 498 1 . 1 1 104 104 VAL HA H 95 3.530 3.530 3.745 -0.215 18219 499 1 . 1 1 104 104 VAL C C 95 175.042 175.042 177.398 -2.356 18219 500 1 . 1 1 104 104 VAL CA C 95 66.419 66.419 65.410 1.009 18219 501 1 . 1 1 104 104 VAL CB C 95 31.357 31.357 31.901 -0.544 18219 502 1 . 1 1 104 104 VAL H H 95 8.026 8.026 7.998 0.028 18219 503 1 . 1 1 105 105 LEU N N 96 117.185 117.185 115.650 1.535 18219 504 1 . 1 1 105 105 LEU HA H 96 3.980 3.980 4.341 -0.361 18219 505 1 . 1 1 105 105 LEU C C 96 176.579 176.579 177.530 -0.951 18219 506 1 . 1 1 105 105 LEU CA C 96 56.800 56.800 55.586 1.214 18219 507 1 . 1 1 105 105 LEU CB C 96 40.951 40.951 42.221 -1.270 18219 508 1 . 1 1 105 105 LEU H H 96 7.893 7.893 7.557 0.336 18219 509 1 . 1 1 106 106 LEU N N 97 118.471 118.471 118.222 0.249 18219 510 1 . 1 1 106 106 LEU HA H 97 4.180 4.180 3.919 0.261 18219 511 1 . 1 1 106 106 LEU C C 97 175.802 175.802 176.344 -0.542 18219 512 1 . 1 1 106 106 LEU CA C 97 56.300 56.300 55.594 0.706 18219 513 1 . 1 1 106 106 LEU CB C 97 41.592 41.592 40.729 0.863 18219 514 1 . 1 1 106 106 LEU H H 97 7.545 7.545 7.841 -0.296 18219 515 1 . 1 1 107 107 LEU N N 98 118.162 118.162 114.843 3.319 18219 516 1 . 1 1 107 107 LEU HA H 98 4.230 4.230 4.083 0.147 18219 517 1 . 1 1 107 107 LEU C C 98 174.174 174.174 177.344 -3.170 18219 518 1 . 1 1 107 107 LEU CA C 98 56.283 56.283 55.501 0.782 18219 519 1 . 1 1 107 107 LEU CB C 98 42.362 42.362 40.815 1.547 18219 520 1 . 1 1 107 107 LEU H H 98 7.688 7.688 7.991 -0.303 18219 stop_ save_