data_18706 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18706 _Entry.PDB_ID 2LY0 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 18706 _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 20 20 ASN N N 20 120.297 120.297 120.336 -0.039 18706 2 1 1 . 1 1 20 20 ASN HA H 20 4.861 4.861 4.862 -0.001 18706 3 1 1 . 1 1 20 20 ASN CA C 20 53.430 53.430 53.670 -0.240 18706 4 1 1 . 1 1 20 20 ASN CB C 20 38.831 38.831 37.906 0.925 18706 5 1 1 . 1 1 20 20 ASN H H 20 8.313 8.313 8.601 -0.288 18706 6 1 1 . 1 1 21 21 ASP N N 21 120.233 120.233 119.021 1.212 18706 7 1 1 . 1 1 21 21 ASP HA H 21 4.756 4.756 4.439 0.317 18706 8 1 1 . 1 1 21 21 ASP CA C 21 54.305 54.305 56.154 -1.849 18706 9 1 1 . 1 1 21 21 ASP CB C 21 41.911 41.911 40.903 1.008 18706 10 1 1 . 1 1 21 21 ASP H H 21 8.280 8.280 8.302 -0.022 18706 11 1 1 . 1 1 22 22 SER N N 22 115.690 115.690 115.229 0.461 18706 12 1 1 . 1 1 22 22 SER HA H 22 4.410 4.410 4.309 0.101 18706 13 1 1 . 1 1 22 22 SER CA C 22 58.393 58.393 60.160 -1.767 18706 14 1 1 . 1 1 22 22 SER CB C 22 63.850 63.850 63.892 -0.042 18706 15 1 1 . 1 1 22 22 SER H H 22 8.347 8.347 7.825 0.522 18706 16 1 1 . 1 1 23 23 SER N N 23 115.951 115.951 114.969 0.982 18706 17 1 1 . 1 1 23 23 SER HA H 23 4.330 4.330 4.564 -0.234 18706 18 1 1 . 1 1 23 23 SER CA C 23 58.355 58.355 58.053 0.302 18706 19 1 1 . 1 1 23 23 SER CB C 23 63.851 63.851 64.132 -0.281 18706 20 1 1 . 1 1 23 23 SER H H 23 8.235 8.235 7.747 0.488 18706 21 1 1 . 1 1 24 24 ASP N N 24 124.731 124.731 128.210 -3.479 18706 22 1 1 . 1 1 24 24 ASP HA H 24 4.827 4.827 5.055 -0.228 18706 23 1 1 . 1 1 24 24 ASP CA C 24 52.224 52.224 52.210 0.014 18706 24 1 1 . 1 1 24 24 ASP CB C 24 43.514 43.514 41.936 1.578 18706 25 1 1 . 1 1 24 24 ASP H H 24 7.963 7.963 8.635 -0.672 18706 26 1 1 . 1 1 25 25 PRO HA H 25 4.129 4.129 4.343 -0.214 18706 27 1 1 . 1 1 25 25 PRO CA C 25 65.502 65.502 65.149 0.353 18706 28 1 1 . 1 1 25 25 PRO CB C 25 32.478 32.478 32.052 0.426 18706 29 1 1 . 1 1 26 26 LEU N N 26 116.951 116.951 119.376 -2.425 18706 30 1 1 . 1 1 26 26 LEU HA H 26 4.054 4.054 4.111 -0.057 18706 31 1 1 . 1 1 26 26 LEU CA C 26 57.440 57.440 58.146 -0.706 18706 32 1 1 . 1 1 26 26 LEU CB C 26 41.242 41.242 41.190 0.052 18706 33 1 1 . 1 1 26 26 LEU H H 26 8.240 8.240 8.212 0.028 18706 34 1 1 . 1 1 27 27 VAL N N 27 118.624 118.624 118.955 -0.331 18706 35 1 1 . 1 1 27 27 VAL HA H 27 3.447 3.447 3.667 -0.220 18706 36 1 1 . 1 1 27 27 VAL CA C 27 65.752 65.752 66.257 -0.505 18706 37 1 1 . 1 1 27 27 VAL CB C 27 25.152 25.152 31.021 -5.869 18706 38 1 1 . 1 1 27 27 VAL H H 27 7.218 7.218 7.414 -0.196 18706 39 1 1 . 1 1 28 28 VAL N N 28 118.219 118.219 119.977 -1.758 18706 40 1 1 . 1 1 28 28 VAL HA H 28 3.501 3.501 3.655 -0.154 18706 41 1 1 . 1 1 28 28 VAL CA C 28 66.968 66.968 66.472 0.495 18706 42 1 1 . 1 1 28 28 VAL CB C 28 31.948 31.948 30.720 1.228 18706 43 1 1 . 1 1 28 28 VAL H H 28 7.866 7.866 7.366 0.500 18706 44 1 1 . 1 1 29 29 ALA N N 29 117.871 117.871 122.006 -4.135 18706 45 1 1 . 1 1 29 29 ALA HA H 29 3.859 3.859 4.000 -0.141 18706 46 1 1 . 1 1 29 29 ALA CA C 29 55.486 55.486 55.291 0.195 18706 47 1 1 . 1 1 29 29 ALA CB C 29 18.727 18.727 18.142 0.585 18706 48 1 1 . 1 1 29 29 ALA H H 29 8.348 8.348 8.454 -0.106 18706 49 1 1 . 1 1 30 30 ALA N N 30 118.323 118.323 121.713 -3.390 18706 50 1 1 . 1 1 30 30 ALA HA H 30 3.820 3.820 3.904 -0.084 18706 51 1 1 . 1 1 30 30 ALA CA C 30 55.509 55.509 55.370 0.139 18706 52 1 1 . 1 1 30 30 ALA CB C 30 18.958 18.958 18.195 0.763 18706 53 1 1 . 1 1 30 30 ALA H H 30 8.452 8.452 8.478 -0.026 18706 54 1 1 . 1 1 31 31 ASN N N 31 116.443 116.443 117.118 -0.675 18706 55 1 1 . 1 1 31 31 ASN HA H 31 4.470 4.470 4.484 -0.014 18706 56 1 1 . 1 1 31 31 ASN CA C 31 55.964 55.964 55.729 0.235 18706 57 1 1 . 1 1 31 31 ASN CB C 31 37.441 37.441 38.455 -1.014 18706 58 1 1 . 1 1 31 31 ASN H H 31 8.226 8.226 7.755 0.471 18706 59 1 1 . 1 1 32 32 ILE N N 32 118.219 118.219 121.208 -2.989 18706 60 1 1 . 1 1 32 32 ILE HA H 32 3.557 3.557 3.695 -0.138 18706 61 1 1 . 1 1 32 32 ILE CA C 32 65.529 65.529 65.505 0.024 18706 62 1 1 . 1 1 32 32 ILE CB C 32 37.736 37.736 37.937 -0.201 18706 63 1 1 . 1 1 32 32 ILE H H 32 8.055 8.055 7.860 0.195 18706 64 1 1 . 1 1 33 33 ILE N N 33 120.114 120.114 119.923 0.191 18706 65 1 1 . 1 1 33 33 ILE HA H 33 3.590 3.590 3.752 -0.162 18706 66 1 1 . 1 1 33 33 ILE CA C 33 65.111 65.111 64.827 0.284 18706 67 1 1 . 1 1 33 33 ILE CB C 33 35.842 35.842 36.664 -0.822 18706 68 1 1 . 1 1 33 33 ILE H H 33 8.753 8.753 8.770 -0.017 18706 69 1 1 . 1 1 34 34 GLY N N 34 108.895 108.895 108.479 0.416 18706 70 1 1 . 1 1 34 34 GLY CA C 34 46.649 46.649 47.262 -0.613 18706 71 1 1 . 1 1 35 35 ILE N N 35 121.351 121.351 123.033 -1.682 18706 72 1 1 . 1 1 35 35 ILE HA H 35 3.797 3.797 3.698 0.099 18706 73 1 1 . 1 1 35 35 ILE CA C 35 65.632 65.632 64.957 0.675 18706 74 1 1 . 1 1 35 35 ILE CB C 35 37.845 37.845 38.038 -0.193 18706 75 1 1 . 1 1 35 35 ILE H H 35 7.478 7.478 7.854 -0.376 18706 76 1 1 . 1 1 36 36 LEU N N 36 119.361 119.361 119.482 -0.121 18706 77 1 1 . 1 1 36 36 LEU HA H 36 3.870 3.870 3.866 0.004 18706 78 1 1 . 1 1 36 36 LEU CA C 36 57.867 57.867 58.153 -0.286 18706 79 1 1 . 1 1 36 36 LEU CB C 36 42.058 42.058 41.437 0.621 18706 80 1 1 . 1 1 36 36 LEU H H 36 8.726 8.726 8.217 0.509 18706 81 1 1 . 1 1 37 37 HIS N N 37 116.547 116.547 119.046 -2.499 18706 82 1 1 . 1 1 37 37 HIS HA H 37 4.112 4.112 4.254 -0.142 18706 83 1 1 . 1 1 37 37 HIS CA C 37 57.307 57.307 60.129 -2.822 18706 84 1 1 . 1 1 37 37 HIS CB C 37 30.893 30.893 30.038 0.855 18706 85 1 1 . 1 1 37 37 HIS H H 37 9.111 9.111 7.981 1.130 18706 86 1 1 . 1 1 38 38 LEU N N 38 117.109 117.109 120.061 -2.952 18706 87 1 1 . 1 1 38 38 LEU HA H 38 3.013 3.013 4.236 -1.223 18706 88 1 1 . 1 1 38 38 LEU CA C 38 58.434 58.434 58.438 -0.004 18706 89 1 1 . 1 1 38 38 LEU CB C 38 37.761 37.761 42.000 -4.239 18706 90 1 1 . 1 1 38 38 LEU H H 38 6.860 6.860 7.818 -0.958 18706 91 1 1 . 1 1 39 39 ILE N N 39 117.022 117.022 119.783 -2.761 18706 92 1 1 . 1 1 39 39 ILE HA H 39 3.382 3.382 3.652 -0.270 18706 93 1 1 . 1 1 39 39 ILE CA C 39 65.812 65.812 65.586 0.226 18706 94 1 1 . 1 1 39 39 ILE CB C 39 37.562 37.562 37.790 -0.228 18706 95 1 1 . 1 1 39 39 ILE H H 39 7.626 7.626 7.496 0.130 18706 96 1 1 . 1 1 40 40 LEU N N 40 116.396 116.396 119.370 -2.974 18706 97 1 1 . 1 1 40 40 LEU HA H 40 4.012 4.012 4.005 0.007 18706 98 1 1 . 1 1 40 40 LEU CA C 40 58.032 58.032 57.803 0.229 18706 99 1 1 . 1 1 40 40 LEU CB C 40 41.947 41.947 41.593 0.354 18706 100 1 1 . 1 1 40 40 LEU H H 40 8.827 8.827 7.569 1.258 18706 101 1 1 . 1 1 41 41 TRP N N 41 119.815 119.815 121.245 -1.430 18706 102 1 1 . 1 1 41 41 TRP HA H 41 4.343 4.343 4.326 0.017 18706 103 1 1 . 1 1 41 41 TRP CA C 41 62.301 62.301 61.527 0.774 18706 104 1 1 . 1 1 41 41 TRP CB C 41 27.395 27.395 29.933 -2.538 18706 105 1 1 . 1 1 41 41 TRP H H 41 8.229 8.229 8.513 -0.284 18706 106 1 1 . 1 1 42 42 ILE N N 42 118.537 118.537 119.364 -0.827 18706 107 1 1 . 1 1 42 42 ILE HA H 42 3.051 3.051 3.448 -0.397 18706 108 1 1 . 1 1 42 42 ILE CA C 42 65.166 65.166 64.722 0.444 18706 109 1 1 . 1 1 42 42 ILE CB C 42 37.696 37.696 37.245 0.451 18706 110 1 1 . 1 1 42 42 ILE H H 42 8.432 8.432 8.877 -0.445 18706 111 1 1 . 1 1 43 43 LEU N N 43 118.124 118.124 121.070 -2.946 18706 112 1 1 . 1 1 43 43 LEU HA H 43 4.005 4.005 3.955 0.050 18706 113 1 1 . 1 1 43 43 LEU CA C 43 58.472 58.472 58.214 0.258 18706 114 1 1 . 1 1 43 43 LEU CB C 43 41.942 41.942 41.529 0.413 18706 115 1 1 . 1 1 43 43 LEU H H 43 8.149 8.149 7.745 0.404 18706 116 1 1 . 1 1 44 44 ASP N N 44 119.401 119.401 118.745 0.656 18706 117 1 1 . 1 1 44 44 ASP HA H 44 4.580 4.580 4.401 0.179 18706 118 1 1 . 1 1 44 44 ASP CA C 44 58.165 58.165 56.826 1.339 18706 119 1 1 . 1 1 44 44 ASP CB C 44 43.647 43.647 40.753 2.894 18706 120 1 1 . 1 1 44 44 ASP H H 44 8.572 8.572 7.712 0.860 18706 121 1 1 . 1 1 45 45 ARG N N 45 115.835 115.835 117.580 -1.745 18706 122 1 1 . 1 1 45 45 ARG HA H 45 3.954 3.954 3.984 -0.030 18706 123 1 1 . 1 1 45 45 ARG CA C 45 56.437 56.437 57.447 -1.010 18706 124 1 1 . 1 1 45 45 ARG CB C 45 29.411 29.411 29.596 -0.185 18706 125 1 1 . 1 1 45 45 ARG H H 45 7.962 7.962 7.425 0.537 18706 126 1 1 . 1 1 46 46 LEU N N 46 114.591 114.591 121.852 -7.261 18706 127 1 1 . 1 1 46 46 LEU HA H 46 3.952 3.952 4.047 -0.095 18706 128 1 1 . 1 1 46 46 LEU CA C 46 56.521 56.521 57.846 -1.325 18706 129 1 1 . 1 1 46 46 LEU CB C 46 43.024 43.024 41.905 1.119 18706 130 1 1 . 1 1 46 46 LEU H H 46 8.047 8.047 7.563 0.484 18706 131 1 1 . 1 1 47 47 PHE N N 47 112.891 112.891 117.149 -4.258 18706 132 1 1 . 1 1 47 47 PHE HA H 47 4.618 4.618 4.559 0.059 18706 133 1 1 . 1 1 47 47 PHE CA C 47 59.065 59.065 56.902 2.163 18706 134 1 1 . 1 1 47 47 PHE CB C 47 41.119 41.119 38.589 2.530 18706 135 1 1 . 1 1 47 47 PHE H H 47 8.030 8.030 7.735 0.295 18706 136 1 1 . 1 1 48 48 PHE N N 48 118.885 118.885 119.351 -0.466 18706 137 1 1 . 1 1 48 48 PHE HA H 48 4.893 4.893 4.332 0.561 18706 138 1 1 . 1 1 48 48 PHE CA C 48 57.576 57.576 58.344 -0.768 18706 139 1 1 . 1 1 48 48 PHE CB C 48 39.388 39.388 39.501 -0.113 18706 140 1 1 . 1 1 48 48 PHE H H 48 8.300 8.300 7.951 0.349 18706 141 1 2 . 1 1 20 20 ASN N N 20 120.297 120.297 119.937 0.360 18706 142 1 2 . 1 1 20 20 ASN HA H 20 4.861 4.861 4.451 0.410 18706 143 1 2 . 1 1 20 20 ASN CA C 20 53.430 53.430 55.066 -1.636 18706 144 1 2 . 1 1 20 20 ASN CB C 20 38.831 38.831 38.467 0.365 18706 145 1 2 . 1 1 20 20 ASN H H 20 8.313 8.313 8.735 -0.422 18706 146 1 2 . 1 1 21 21 ASP N N 21 120.233 120.233 117.708 2.525 18706 147 1 2 . 1 1 21 21 ASP HA H 21 4.756 4.756 4.549 0.207 18706 148 1 2 . 1 1 21 21 ASP CA C 21 54.305 54.305 55.749 -1.444 18706 149 1 2 . 1 1 21 21 ASP CB C 21 41.911 41.911 40.038 1.873 18706 150 1 2 . 1 1 21 21 ASP H H 21 8.280 8.280 8.599 -0.319 18706 151 1 2 . 1 1 22 22 SER N N 22 115.690 115.690 113.344 2.346 18706 152 1 2 . 1 1 22 22 SER HA H 22 4.410 4.410 4.294 0.116 18706 153 1 2 . 1 1 22 22 SER CA C 22 58.393 58.393 60.368 -1.975 18706 154 1 2 . 1 1 22 22 SER CB C 22 63.850 63.850 63.589 0.261 18706 155 1 2 . 1 1 22 22 SER H H 22 8.347 8.347 7.628 0.719 18706 156 1 2 . 1 1 23 23 SER N N 23 115.951 115.951 116.782 -0.831 18706 157 1 2 . 1 1 23 23 SER HA H 23 4.330 4.330 4.550 -0.220 18706 158 1 2 . 1 1 23 23 SER CA C 23 58.355 58.355 57.441 0.914 18706 159 1 2 . 1 1 23 23 SER CB C 23 63.851 63.851 63.742 0.109 18706 160 1 2 . 1 1 23 23 SER H H 23 8.235 8.235 7.574 0.661 18706 161 1 2 . 1 1 24 24 ASP N N 24 124.731 124.731 129.024 -4.293 18706 162 1 2 . 1 1 24 24 ASP HA H 24 4.827 4.827 4.818 0.009 18706 163 1 2 . 1 1 24 24 ASP CA C 24 52.224 52.224 52.474 -0.251 18706 164 1 2 . 1 1 24 24 ASP CB C 24 43.514 43.514 41.287 2.227 18706 165 1 2 . 1 1 24 24 ASP H H 24 7.963 7.963 8.124 -0.161 18706 166 1 2 . 1 1 25 25 PRO HA H 25 4.129 4.129 4.299 -0.170 18706 167 1 2 . 1 1 25 25 PRO CA C 25 65.502 65.502 65.100 0.401 18706 168 1 2 . 1 1 25 25 PRO CB C 25 32.478 32.478 32.081 0.397 18706 169 1 2 . 1 1 26 26 LEU N N 26 116.951 116.951 118.119 -1.168 18706 170 1 2 . 1 1 26 26 LEU HA H 26 4.054 4.054 4.089 -0.035 18706 171 1 2 . 1 1 26 26 LEU CA C 26 57.440 57.440 57.862 -0.422 18706 172 1 2 . 1 1 26 26 LEU CB C 26 41.242 41.242 41.282 -0.040 18706 173 1 2 . 1 1 26 26 LEU H H 26 8.240 8.240 8.110 0.130 18706 174 1 2 . 1 1 27 27 VAL N N 27 118.624 118.624 118.819 -0.195 18706 175 1 2 . 1 1 27 27 VAL HA H 27 3.447 3.447 3.711 -0.264 18706 176 1 2 . 1 1 27 27 VAL CA C 27 65.752 65.752 66.222 -0.470 18706 177 1 2 . 1 1 27 27 VAL CB C 27 25.152 25.152 31.152 -6.000 18706 178 1 2 . 1 1 27 27 VAL H H 27 7.218 7.218 7.502 -0.284 18706 179 1 2 . 1 1 28 28 VAL N N 28 118.219 118.219 117.119 1.100 18706 180 1 2 . 1 1 28 28 VAL HA H 28 3.501 3.501 3.827 -0.326 18706 181 1 2 . 1 1 28 28 VAL CA C 28 66.968 66.968 65.403 1.565 18706 182 1 2 . 1 1 28 28 VAL CB C 28 31.948 31.948 30.204 1.744 18706 183 1 2 . 1 1 28 28 VAL H H 28 7.866 7.866 7.299 0.567 18706 184 1 2 . 1 1 29 29 ALA N N 29 117.871 117.871 123.004 -5.133 18706 185 1 2 . 1 1 29 29 ALA HA H 29 3.859 3.859 3.978 -0.119 18706 186 1 2 . 1 1 29 29 ALA CA C 29 55.486 55.486 55.249 0.237 18706 187 1 2 . 1 1 29 29 ALA CB C 29 18.727 18.727 18.025 0.702 18706 188 1 2 . 1 1 29 29 ALA H H 29 8.348 8.348 8.297 0.051 18706 189 1 2 . 1 1 30 30 ALA N N 30 118.323 118.323 120.804 -2.481 18706 190 1 2 . 1 1 30 30 ALA HA H 30 3.820 3.820 3.949 -0.129 18706 191 1 2 . 1 1 30 30 ALA CA C 30 55.509 55.509 55.285 0.224 18706 192 1 2 . 1 1 30 30 ALA CB C 30 18.958 18.958 18.252 0.707 18706 193 1 2 . 1 1 30 30 ALA H H 30 8.452 8.452 8.581 -0.129 18706 194 1 2 . 1 1 31 31 ASN N N 31 116.443 116.443 117.860 -1.417 18706 195 1 2 . 1 1 31 31 ASN HA H 31 4.470 4.470 4.420 0.050 18706 196 1 2 . 1 1 31 31 ASN CA C 31 55.964 55.964 56.145 -0.181 18706 197 1 2 . 1 1 31 31 ASN CB C 31 37.441 37.441 38.567 -1.126 18706 198 1 2 . 1 1 31 31 ASN H H 31 8.226 8.226 7.777 0.449 18706 199 1 2 . 1 1 32 32 ILE N N 32 118.219 118.219 121.330 -3.111 18706 200 1 2 . 1 1 32 32 ILE HA H 32 3.557 3.557 3.671 -0.114 18706 201 1 2 . 1 1 32 32 ILE CA C 32 65.529 65.529 65.719 -0.190 18706 202 1 2 . 1 1 32 32 ILE CB C 32 37.736 37.736 37.935 -0.199 18706 203 1 2 . 1 1 32 32 ILE H H 32 8.055 8.055 8.142 -0.087 18706 204 1 2 . 1 1 33 33 ILE N N 33 120.114 120.114 119.955 0.159 18706 205 1 2 . 1 1 33 33 ILE HA H 33 3.590 3.590 3.680 -0.090 18706 206 1 2 . 1 1 33 33 ILE CA C 33 65.111 65.111 65.627 -0.516 18706 207 1 2 . 1 1 33 33 ILE CB C 33 35.842 35.842 37.539 -1.697 18706 208 1 2 . 1 1 33 33 ILE H H 33 8.753 8.753 8.536 0.217 18706 209 1 2 . 1 1 34 34 GLY N N 34 108.895 108.895 108.387 0.508 18706 210 1 2 . 1 1 34 34 GLY CA C 34 46.649 46.649 47.248 -0.599 18706 211 1 2 . 1 1 35 35 ILE N N 35 121.351 121.351 122.922 -1.571 18706 212 1 2 . 1 1 35 35 ILE HA H 35 3.797 3.797 3.740 0.057 18706 213 1 2 . 1 1 35 35 ILE CA C 35 65.632 65.632 64.741 0.891 18706 214 1 2 . 1 1 35 35 ILE CB C 35 37.845 37.845 38.122 -0.277 18706 215 1 2 . 1 1 35 35 ILE H H 35 7.478 7.478 7.978 -0.500 18706 216 1 2 . 1 1 36 36 LEU N N 36 119.361 119.361 120.702 -1.341 18706 217 1 2 . 1 1 36 36 LEU HA H 36 3.870 3.870 3.943 -0.073 18706 218 1 2 . 1 1 36 36 LEU CA C 36 57.867 57.867 57.863 0.004 18706 219 1 2 . 1 1 36 36 LEU CB C 36 42.058 42.058 41.468 0.590 18706 220 1 2 . 1 1 36 36 LEU H H 36 8.726 8.726 8.229 0.497 18706 221 1 2 . 1 1 37 37 HIS N N 37 116.547 116.547 118.880 -2.333 18706 222 1 2 . 1 1 37 37 HIS HA H 37 4.112 4.112 4.250 -0.138 18706 223 1 2 . 1 1 37 37 HIS CA C 37 57.307 57.307 60.265 -2.958 18706 224 1 2 . 1 1 37 37 HIS CB C 37 30.893 30.893 29.947 0.946 18706 225 1 2 . 1 1 37 37 HIS H H 37 9.111 9.111 8.112 0.999 18706 226 1 2 . 1 1 38 38 LEU N N 38 117.109 117.109 120.082 -2.973 18706 227 1 2 . 1 1 38 38 LEU HA H 38 3.013 3.013 4.260 -1.247 18706 228 1 2 . 1 1 38 38 LEU CA C 38 58.434 58.434 58.543 -0.109 18706 229 1 2 . 1 1 38 38 LEU CB C 38 37.761 37.761 42.039 -4.278 18706 230 1 2 . 1 1 38 38 LEU H H 38 6.860 6.860 7.778 -0.918 18706 231 1 2 . 1 1 39 39 ILE N N 39 117.022 117.022 119.758 -2.736 18706 232 1 2 . 1 1 39 39 ILE HA H 39 3.382 3.382 3.681 -0.299 18706 233 1 2 . 1 1 39 39 ILE CA C 39 65.812 65.812 65.626 0.185 18706 234 1 2 . 1 1 39 39 ILE CB C 39 37.562 37.562 37.860 -0.298 18706 235 1 2 . 1 1 39 39 ILE H H 39 7.626 7.626 7.528 0.098 18706 236 1 2 . 1 1 40 40 LEU N N 40 116.396 116.396 119.934 -3.538 18706 237 1 2 . 1 1 40 40 LEU HA H 40 4.012 4.012 4.065 -0.053 18706 238 1 2 . 1 1 40 40 LEU CA C 40 58.032 58.032 57.902 0.130 18706 239 1 2 . 1 1 40 40 LEU CB C 40 41.947 41.947 41.753 0.194 18706 240 1 2 . 1 1 40 40 LEU H H 40 8.827 8.827 7.828 0.999 18706 241 1 2 . 1 1 41 41 TRP N N 41 119.815 119.815 121.477 -1.662 18706 242 1 2 . 1 1 41 41 TRP HA H 41 4.343 4.343 4.356 -0.013 18706 243 1 2 . 1 1 41 41 TRP CA C 41 62.301 62.301 61.730 0.571 18706 244 1 2 . 1 1 41 41 TRP CB C 41 27.395 27.395 29.759 -2.364 18706 245 1 2 . 1 1 41 41 TRP H H 41 8.229 8.229 8.749 -0.520 18706 246 1 2 . 1 1 42 42 ILE N N 42 118.537 118.537 120.105 -1.568 18706 247 1 2 . 1 1 42 42 ILE HA H 42 3.051 3.051 3.141 -0.090 18706 248 1 2 . 1 1 42 42 ILE CA C 42 65.166 65.166 64.880 0.286 18706 249 1 2 . 1 1 42 42 ILE CB C 42 37.696 37.696 38.175 -0.479 18706 250 1 2 . 1 1 42 42 ILE H H 42 8.432 8.432 8.793 -0.361 18706 251 1 2 . 1 1 43 43 LEU N N 43 118.124 118.124 119.732 -1.608 18706 252 1 2 . 1 1 43 43 LEU HA H 43 4.005 4.005 3.802 0.203 18706 253 1 2 . 1 1 43 43 LEU CA C 43 58.472 58.472 58.046 0.426 18706 254 1 2 . 1 1 43 43 LEU CB C 43 41.942 41.942 41.572 0.370 18706 255 1 2 . 1 1 43 43 LEU H H 43 8.149 8.149 7.628 0.521 18706 256 1 2 . 1 1 44 44 ASP N N 44 119.401 119.401 119.237 0.164 18706 257 1 2 . 1 1 44 44 ASP HA H 44 4.580 4.580 4.556 0.024 18706 258 1 2 . 1 1 44 44 ASP CA C 44 58.165 58.165 57.318 0.847 18706 259 1 2 . 1 1 44 44 ASP CB C 44 43.647 43.647 40.376 3.272 18706 260 1 2 . 1 1 44 44 ASP H H 44 8.572 8.572 8.192 0.380 18706 261 1 2 . 1 1 45 45 ARG N N 45 115.835 115.835 119.432 -3.597 18706 262 1 2 . 1 1 45 45 ARG HA H 45 3.954 3.954 4.228 -0.274 18706 263 1 2 . 1 1 45 45 ARG CA C 45 56.437 56.437 57.427 -0.990 18706 264 1 2 . 1 1 45 45 ARG CB C 45 29.411 29.411 29.662 -0.251 18706 265 1 2 . 1 1 45 45 ARG H H 45 7.962 7.962 7.734 0.228 18706 266 1 2 . 1 1 46 46 LEU N N 46 114.591 114.591 118.243 -3.652 18706 267 1 2 . 1 1 46 46 LEU HA H 46 3.952 3.952 3.865 0.087 18706 268 1 2 . 1 1 46 46 LEU CA C 46 56.521 56.521 57.092 -0.570 18706 269 1 2 . 1 1 46 46 LEU CB C 46 43.024 43.024 41.659 1.365 18706 270 1 2 . 1 1 46 46 LEU H H 46 8.047 8.047 7.133 0.914 18706 271 1 2 . 1 1 47 47 PHE N N 47 112.891 112.891 116.196 -3.305 18706 272 1 2 . 1 1 47 47 PHE HA H 47 4.618 4.618 3.987 0.631 18706 273 1 2 . 1 1 47 47 PHE CA C 47 59.065 59.065 60.975 -1.910 18706 274 1 2 . 1 1 47 47 PHE CB C 47 41.119 41.119 39.326 1.793 18706 275 1 2 . 1 1 47 47 PHE H H 47 8.030 8.030 7.348 0.682 18706 276 1 2 . 1 1 48 48 PHE N N 48 118.885 118.885 116.037 2.848 18706 277 1 2 . 1 1 48 48 PHE HA H 48 4.893 4.893 4.752 0.141 18706 278 1 2 . 1 1 48 48 PHE CA C 48 57.576 57.576 56.814 0.762 18706 279 1 2 . 1 1 48 48 PHE CB C 48 39.388 39.388 41.714 -2.326 18706 280 1 2 . 1 1 48 48 PHE H H 48 8.300 8.300 7.536 0.764 18706 281 1 3 . 1 1 20 20 ASN N N 20 120.297 120.297 121.880 -1.583 18706 282 1 3 . 1 1 20 20 ASN HA H 20 4.861 4.861 4.802 0.059 18706 283 1 3 . 1 1 20 20 ASN CA C 20 53.430 53.430 52.988 0.442 18706 284 1 3 . 1 1 20 20 ASN CB C 20 38.831 38.831 39.432 -0.601 18706 285 1 3 . 1 1 20 20 ASN H H 20 8.313 8.313 8.182 0.131 18706 286 1 3 . 1 1 21 21 ASP N N 21 120.233 120.233 120.431 -0.198 18706 287 1 3 . 1 1 21 21 ASP HA H 21 4.756 4.756 4.572 0.184 18706 288 1 3 . 1 1 21 21 ASP CA C 21 54.305 54.305 54.399 -0.094 18706 289 1 3 . 1 1 21 21 ASP CB C 21 41.911 41.911 40.709 1.202 18706 290 1 3 . 1 1 21 21 ASP H H 21 8.280 8.280 8.664 -0.384 18706 291 1 3 . 1 1 22 22 SER N N 22 115.690 115.690 115.195 0.495 18706 292 1 3 . 1 1 22 22 SER HA H 22 4.410 4.410 4.260 0.150 18706 293 1 3 . 1 1 22 22 SER CA C 22 58.393 58.393 60.545 -2.152 18706 294 1 3 . 1 1 22 22 SER CB C 22 63.850 63.850 63.311 0.539 18706 295 1 3 . 1 1 22 22 SER H H 22 8.347 8.347 8.031 0.316 18706 296 1 3 . 1 1 23 23 SER N N 23 115.951 115.951 117.397 -1.446 18706 297 1 3 . 1 1 23 23 SER HA H 23 4.330 4.330 4.561 -0.231 18706 298 1 3 . 1 1 23 23 SER CA C 23 58.355 58.355 57.216 1.139 18706 299 1 3 . 1 1 23 23 SER CB C 23 63.851 63.851 62.692 1.159 18706 300 1 3 . 1 1 23 23 SER H H 23 8.235 8.235 7.849 0.386 18706 301 1 3 . 1 1 24 24 ASP N N 24 124.731 124.731 126.332 -1.601 18706 302 1 3 . 1 1 24 24 ASP HA H 24 4.827 4.827 4.709 0.118 18706 303 1 3 . 1 1 24 24 ASP CA C 24 52.224 52.224 53.408 -1.184 18706 304 1 3 . 1 1 24 24 ASP CB C 24 43.514 43.514 41.364 2.150 18706 305 1 3 . 1 1 24 24 ASP H H 24 7.963 7.963 7.741 0.222 18706 306 1 3 . 1 1 25 25 PRO HA H 25 4.129 4.129 4.319 -0.190 18706 307 1 3 . 1 1 25 25 PRO CA C 25 65.502 65.502 64.814 0.688 18706 308 1 3 . 1 1 25 25 PRO CB C 25 32.478 32.478 32.050 0.428 18706 309 1 3 . 1 1 26 26 LEU N N 26 116.951 116.951 118.306 -1.355 18706 310 1 3 . 1 1 26 26 LEU HA H 26 4.054 4.054 4.053 0.001 18706 311 1 3 . 1 1 26 26 LEU CA C 26 57.440 57.440 57.797 -0.357 18706 312 1 3 . 1 1 26 26 LEU CB C 26 41.242 41.242 41.495 -0.253 18706 313 1 3 . 1 1 26 26 LEU H H 26 8.240 8.240 8.159 0.081 18706 314 1 3 . 1 1 27 27 VAL N N 27 118.624 118.624 118.903 -0.279 18706 315 1 3 . 1 1 27 27 VAL HA H 27 3.447 3.447 3.589 -0.142 18706 316 1 3 . 1 1 27 27 VAL CA C 27 65.752 65.752 66.280 -0.528 18706 317 1 3 . 1 1 27 27 VAL CB C 27 25.152 25.152 31.594 -6.442 18706 318 1 3 . 1 1 27 27 VAL H H 27 7.218 7.218 7.383 -0.165 18706 319 1 3 . 1 1 28 28 VAL N N 28 118.219 118.219 119.924 -1.705 18706 320 1 3 . 1 1 28 28 VAL HA H 28 3.501 3.501 3.619 -0.118 18706 321 1 3 . 1 1 28 28 VAL CA C 28 66.968 66.968 66.475 0.492 18706 322 1 3 . 1 1 28 28 VAL CB C 28 31.948 31.948 30.931 1.016 18706 323 1 3 . 1 1 28 28 VAL H H 28 7.866 7.866 7.414 0.452 18706 324 1 3 . 1 1 29 29 ALA N N 29 117.871 117.871 121.670 -3.799 18706 325 1 3 . 1 1 29 29 ALA HA H 29 3.859 3.859 4.018 -0.159 18706 326 1 3 . 1 1 29 29 ALA CA C 29 55.486 55.486 55.269 0.217 18706 327 1 3 . 1 1 29 29 ALA CB C 29 18.727 18.727 17.952 0.775 18706 328 1 3 . 1 1 29 29 ALA H H 29 8.348 8.348 8.410 -0.062 18706 329 1 3 . 1 1 30 30 ALA N N 30 118.323 118.323 121.123 -2.800 18706 330 1 3 . 1 1 30 30 ALA HA H 30 3.820 3.820 4.010 -0.190 18706 331 1 3 . 1 1 30 30 ALA CA C 30 55.509 55.509 54.976 0.533 18706 332 1 3 . 1 1 30 30 ALA CB C 30 18.958 18.958 18.312 0.646 18706 333 1 3 . 1 1 30 30 ALA H H 30 8.452 8.452 8.169 0.283 18706 334 1 3 . 1 1 31 31 ASN N N 31 116.443 116.443 118.188 -1.745 18706 335 1 3 . 1 1 31 31 ASN HA H 31 4.470 4.470 4.501 -0.031 18706 336 1 3 . 1 1 31 31 ASN CA C 31 55.964 55.964 56.359 -0.395 18706 337 1 3 . 1 1 31 31 ASN CB C 31 37.441 37.441 39.136 -1.695 18706 338 1 3 . 1 1 31 31 ASN H H 31 8.226 8.226 7.988 0.238 18706 339 1 3 . 1 1 32 32 ILE N N 32 118.219 118.219 121.168 -2.949 18706 340 1 3 . 1 1 32 32 ILE HA H 32 3.557 3.557 3.789 -0.232 18706 341 1 3 . 1 1 32 32 ILE CA C 32 65.529 65.529 64.794 0.735 18706 342 1 3 . 1 1 32 32 ILE CB C 32 37.736 37.736 38.209 -0.473 18706 343 1 3 . 1 1 32 32 ILE H H 32 8.055 8.055 8.523 -0.468 18706 344 1 3 . 1 1 33 33 ILE N N 33 120.114 120.114 119.393 0.721 18706 345 1 3 . 1 1 33 33 ILE HA H 33 3.590 3.590 3.691 -0.101 18706 346 1 3 . 1 1 33 33 ILE CA C 33 65.111 65.111 65.542 -0.431 18706 347 1 3 . 1 1 33 33 ILE CB C 33 35.842 35.842 37.584 -1.742 18706 348 1 3 . 1 1 33 33 ILE H H 33 8.753 8.753 7.851 0.902 18706 349 1 3 . 1 1 34 34 GLY N N 34 108.895 108.895 108.452 0.443 18706 350 1 3 . 1 1 34 34 GLY CA C 34 46.649 46.649 47.207 -0.558 18706 351 1 3 . 1 1 35 35 ILE N N 35 121.351 121.351 122.975 -1.624 18706 352 1 3 . 1 1 35 35 ILE HA H 35 3.797 3.797 3.738 0.059 18706 353 1 3 . 1 1 35 35 ILE CA C 35 65.632 65.632 64.761 0.871 18706 354 1 3 . 1 1 35 35 ILE CB C 35 37.845 37.845 38.127 -0.282 18706 355 1 3 . 1 1 35 35 ILE H H 35 7.478 7.478 8.107 -0.629 18706 356 1 3 . 1 1 36 36 LEU N N 36 119.361 119.361 120.730 -1.369 18706 357 1 3 . 1 1 36 36 LEU HA H 36 3.870 3.870 3.944 -0.074 18706 358 1 3 . 1 1 36 36 LEU CA C 36 57.867 57.867 57.888 -0.021 18706 359 1 3 . 1 1 36 36 LEU CB C 36 42.058 42.058 41.416 0.642 18706 360 1 3 . 1 1 36 36 LEU H H 36 8.726 8.726 8.269 0.457 18706 361 1 3 . 1 1 37 37 HIS N N 37 116.547 116.547 118.718 -2.171 18706 362 1 3 . 1 1 37 37 HIS HA H 37 4.112 4.112 4.246 -0.134 18706 363 1 3 . 1 1 37 37 HIS CA C 37 57.307 57.307 60.075 -2.768 18706 364 1 3 . 1 1 37 37 HIS CB C 37 30.893 30.893 29.954 0.939 18706 365 1 3 . 1 1 37 37 HIS H H 37 9.111 9.111 8.196 0.915 18706 366 1 3 . 1 1 38 38 LEU N N 38 117.109 117.109 120.219 -3.110 18706 367 1 3 . 1 1 38 38 LEU HA H 38 3.013 3.013 4.195 -1.182 18706 368 1 3 . 1 1 38 38 LEU CA C 38 58.434 58.434 58.465 -0.031 18706 369 1 3 . 1 1 38 38 LEU CB C 38 37.761 37.761 42.033 -4.272 18706 370 1 3 . 1 1 38 38 LEU H H 38 6.860 6.860 7.793 -0.933 18706 371 1 3 . 1 1 39 39 ILE N N 39 117.022 117.022 119.888 -2.866 18706 372 1 3 . 1 1 39 39 ILE HA H 39 3.382 3.382 3.661 -0.279 18706 373 1 3 . 1 1 39 39 ILE CA C 39 65.812 65.812 65.582 0.230 18706 374 1 3 . 1 1 39 39 ILE CB C 39 37.562 37.562 37.697 -0.135 18706 375 1 3 . 1 1 39 39 ILE H H 39 7.626 7.626 7.509 0.117 18706 376 1 3 . 1 1 40 40 LEU N N 40 116.396 116.396 119.441 -3.045 18706 377 1 3 . 1 1 40 40 LEU HA H 40 4.012 4.012 4.035 -0.023 18706 378 1 3 . 1 1 40 40 LEU CA C 40 58.032 58.032 58.158 -0.126 18706 379 1 3 . 1 1 40 40 LEU CB C 40 41.947 41.947 40.795 1.152 18706 380 1 3 . 1 1 40 40 LEU H H 40 8.827 8.827 7.680 1.147 18706 381 1 3 . 1 1 41 41 TRP N N 41 119.815 119.815 121.779 -1.964 18706 382 1 3 . 1 1 41 41 TRP HA H 41 4.343 4.343 4.289 0.054 18706 383 1 3 . 1 1 41 41 TRP CA C 41 62.301 62.301 61.850 0.451 18706 384 1 3 . 1 1 41 41 TRP CB C 41 27.395 27.395 29.656 -2.261 18706 385 1 3 . 1 1 41 41 TRP H H 41 8.229 8.229 8.546 -0.317 18706 386 1 3 . 1 1 42 42 ILE N N 42 118.537 118.537 119.741 -1.204 18706 387 1 3 . 1 1 42 42 ILE HA H 42 3.051 3.051 3.375 -0.324 18706 388 1 3 . 1 1 42 42 ILE CA C 42 65.166 65.166 65.268 -0.102 18706 389 1 3 . 1 1 42 42 ILE CB C 42 37.696 37.696 37.978 -0.283 18706 390 1 3 . 1 1 42 42 ILE H H 42 8.432 8.432 8.713 -0.281 18706 391 1 3 . 1 1 43 43 LEU N N 43 118.124 118.124 119.839 -1.715 18706 392 1 3 . 1 1 43 43 LEU HA H 43 4.005 4.005 3.951 0.054 18706 393 1 3 . 1 1 43 43 LEU CA C 43 58.472 58.472 57.615 0.857 18706 394 1 3 . 1 1 43 43 LEU CB C 43 41.942 41.942 40.684 1.258 18706 395 1 3 . 1 1 43 43 LEU H H 43 8.149 8.149 8.052 0.097 18706 396 1 3 . 1 1 44 44 ASP N N 44 119.401 119.401 120.289 -0.888 18706 397 1 3 . 1 1 44 44 ASP HA H 44 4.580 4.580 4.397 0.183 18706 398 1 3 . 1 1 44 44 ASP CA C 44 58.165 58.165 57.260 0.905 18706 399 1 3 . 1 1 44 44 ASP CB C 44 43.647 43.647 40.594 3.053 18706 400 1 3 . 1 1 44 44 ASP H H 44 8.572 8.572 8.231 0.341 18706 401 1 3 . 1 1 45 45 ARG N N 45 115.835 115.835 118.280 -2.445 18706 402 1 3 . 1 1 45 45 ARG HA H 45 3.954 3.954 4.118 -0.164 18706 403 1 3 . 1 1 45 45 ARG CA C 45 56.437 56.437 58.135 -1.698 18706 404 1 3 . 1 1 45 45 ARG CB C 45 29.411 29.411 29.919 -0.508 18706 405 1 3 . 1 1 45 45 ARG H H 45 7.962 7.962 7.335 0.627 18706 406 1 3 . 1 1 46 46 LEU N N 46 114.591 114.591 119.683 -5.092 18706 407 1 3 . 1 1 46 46 LEU HA H 46 3.952 3.952 3.861 0.091 18706 408 1 3 . 1 1 46 46 LEU CA C 46 56.521 56.521 57.221 -0.700 18706 409 1 3 . 1 1 46 46 LEU CB C 46 43.024 43.024 41.830 1.194 18706 410 1 3 . 1 1 46 46 LEU H H 46 8.047 8.047 7.536 0.511 18706 411 1 3 . 1 1 47 47 PHE N N 47 112.891 112.891 116.224 -3.333 18706 412 1 3 . 1 1 47 47 PHE HA H 47 4.618 4.618 3.876 0.742 18706 413 1 3 . 1 1 47 47 PHE CA C 47 59.065 59.065 60.678 -1.613 18706 414 1 3 . 1 1 47 47 PHE CB C 47 41.119 41.119 38.718 2.401 18706 415 1 3 . 1 1 47 47 PHE H H 47 8.030 8.030 7.270 0.760 18706 416 1 3 . 1 1 48 48 PHE N N 48 118.885 118.885 115.246 3.639 18706 417 1 3 . 1 1 48 48 PHE HA H 48 4.893 4.893 4.761 0.132 18706 418 1 3 . 1 1 48 48 PHE CA C 48 57.576 57.576 55.781 1.795 18706 419 1 3 . 1 1 48 48 PHE CB C 48 39.388 39.388 40.879 -1.491 18706 420 1 3 . 1 1 48 48 PHE H H 48 8.300 8.300 7.299 1.001 18706 421 1 4 . 1 1 20 20 ASN N N 20 120.297 120.297 119.766 0.531 18706 422 1 4 . 1 1 20 20 ASN HA H 20 4.861 4.861 4.518 0.343 18706 423 1 4 . 1 1 20 20 ASN CA C 20 53.430 53.430 53.672 -0.242 18706 424 1 4 . 1 1 20 20 ASN CB C 20 38.831 38.831 37.715 1.117 18706 425 1 4 . 1 1 20 20 ASN H H 20 8.313 8.313 8.528 -0.215 18706 426 1 4 . 1 1 21 21 ASP N N 21 120.233 120.233 116.086 4.147 18706 427 1 4 . 1 1 21 21 ASP HA H 21 4.756 4.756 4.438 0.318 18706 428 1 4 . 1 1 21 21 ASP CA C 21 54.305 54.305 56.042 -1.737 18706 429 1 4 . 1 1 21 21 ASP CB C 21 41.911 41.911 40.590 1.321 18706 430 1 4 . 1 1 21 21 ASP H H 21 8.280 8.280 8.211 0.069 18706 431 1 4 . 1 1 22 22 SER N N 22 115.690 115.690 114.092 1.598 18706 432 1 4 . 1 1 22 22 SER HA H 22 4.410 4.410 4.316 0.094 18706 433 1 4 . 1 1 22 22 SER CA C 22 58.393 58.393 59.828 -1.435 18706 434 1 4 . 1 1 22 22 SER CB C 22 63.850 63.850 63.572 0.278 18706 435 1 4 . 1 1 22 22 SER H H 22 8.347 8.347 8.252 0.095 18706 436 1 4 . 1 1 23 23 SER N N 23 115.951 115.951 115.169 0.782 18706 437 1 4 . 1 1 23 23 SER HA H 23 4.330 4.330 4.499 -0.169 18706 438 1 4 . 1 1 23 23 SER CA C 23 58.355 58.355 57.202 1.153 18706 439 1 4 . 1 1 23 23 SER CB C 23 63.851 63.851 63.891 -0.040 18706 440 1 4 . 1 1 23 23 SER H H 23 8.235 8.235 7.650 0.585 18706 441 1 4 . 1 1 24 24 ASP N N 24 124.731 124.731 127.006 -2.275 18706 442 1 4 . 1 1 24 24 ASP HA H 24 4.827 4.827 4.728 0.099 18706 443 1 4 . 1 1 24 24 ASP CA C 24 52.224 52.224 54.010 -1.786 18706 444 1 4 . 1 1 24 24 ASP CB C 24 43.514 43.514 41.142 2.372 18706 445 1 4 . 1 1 24 24 ASP H H 24 7.963 7.963 8.603 -0.640 18706 446 1 4 . 1 1 25 25 PRO HA H 25 4.129 4.129 4.338 -0.209 18706 447 1 4 . 1 1 25 25 PRO CA C 25 65.502 65.502 64.924 0.578 18706 448 1 4 . 1 1 25 25 PRO CB C 25 32.478 32.478 32.065 0.413 18706 449 1 4 . 1 1 26 26 LEU N N 26 116.951 116.951 120.726 -3.775 18706 450 1 4 . 1 1 26 26 LEU HA H 26 4.054 4.054 4.123 -0.069 18706 451 1 4 . 1 1 26 26 LEU CA C 26 57.440 57.440 57.778 -0.338 18706 452 1 4 . 1 1 26 26 LEU CB C 26 41.242 41.242 41.579 -0.337 18706 453 1 4 . 1 1 26 26 LEU H H 26 8.240 8.240 8.094 0.146 18706 454 1 4 . 1 1 27 27 VAL N N 27 118.624 118.624 115.611 3.013 18706 455 1 4 . 1 1 27 27 VAL HA H 27 3.447 3.447 3.652 -0.205 18706 456 1 4 . 1 1 27 27 VAL CA C 27 65.752 65.752 65.728 0.024 18706 457 1 4 . 1 1 27 27 VAL CB C 27 25.152 25.152 31.396 -6.244 18706 458 1 4 . 1 1 27 27 VAL H H 27 7.218 7.218 7.332 -0.114 18706 459 1 4 . 1 1 28 28 VAL N N 28 118.219 118.219 121.165 -2.946 18706 460 1 4 . 1 1 28 28 VAL HA H 28 3.501 3.501 3.557 -0.056 18706 461 1 4 . 1 1 28 28 VAL CA C 28 66.968 66.968 66.285 0.683 18706 462 1 4 . 1 1 28 28 VAL CB C 28 31.948 31.948 31.302 0.646 18706 463 1 4 . 1 1 28 28 VAL H H 28 7.866 7.866 7.386 0.480 18706 464 1 4 . 1 1 29 29 ALA N N 29 117.871 117.871 121.472 -3.601 18706 465 1 4 . 1 1 29 29 ALA HA H 29 3.859 3.859 3.965 -0.106 18706 466 1 4 . 1 1 29 29 ALA CA C 29 55.486 55.486 55.254 0.232 18706 467 1 4 . 1 1 29 29 ALA CB C 29 18.727 18.727 17.996 0.731 18706 468 1 4 . 1 1 29 29 ALA H H 29 8.348 8.348 8.057 0.291 18706 469 1 4 . 1 1 30 30 ALA N N 30 118.323 118.323 120.885 -2.562 18706 470 1 4 . 1 1 30 30 ALA HA H 30 3.820 3.820 3.966 -0.146 18706 471 1 4 . 1 1 30 30 ALA CA C 30 55.509 55.509 55.047 0.462 18706 472 1 4 . 1 1 30 30 ALA CB C 30 18.958 18.958 18.243 0.715 18706 473 1 4 . 1 1 30 30 ALA H H 30 8.452 8.452 7.791 0.661 18706 474 1 4 . 1 1 31 31 ASN N N 31 116.443 116.443 117.717 -1.274 18706 475 1 4 . 1 1 31 31 ASN HA H 31 4.470 4.470 4.500 -0.030 18706 476 1 4 . 1 1 31 31 ASN CA C 31 55.964 55.964 55.644 0.320 18706 477 1 4 . 1 1 31 31 ASN CB C 31 37.441 37.441 38.276 -0.835 18706 478 1 4 . 1 1 31 31 ASN H H 31 8.226 8.226 7.679 0.547 18706 479 1 4 . 1 1 32 32 ILE N N 32 118.219 118.219 120.664 -2.445 18706 480 1 4 . 1 1 32 32 ILE HA H 32 3.557 3.557 3.693 -0.136 18706 481 1 4 . 1 1 32 32 ILE CA C 32 65.529 65.529 65.576 -0.047 18706 482 1 4 . 1 1 32 32 ILE CB C 32 37.736 37.736 37.995 -0.259 18706 483 1 4 . 1 1 32 32 ILE H H 32 8.055 8.055 7.738 0.317 18706 484 1 4 . 1 1 33 33 ILE N N 33 120.114 120.114 120.253 -0.139 18706 485 1 4 . 1 1 33 33 ILE HA H 33 3.590 3.590 3.778 -0.188 18706 486 1 4 . 1 1 33 33 ILE CA C 33 65.111 65.111 64.611 0.500 18706 487 1 4 . 1 1 33 33 ILE CB C 33 35.842 35.842 37.904 -2.062 18706 488 1 4 . 1 1 33 33 ILE H H 33 8.753 8.753 8.298 0.455 18706 489 1 4 . 1 1 34 34 GLY N N 34 108.895 108.895 108.252 0.643 18706 490 1 4 . 1 1 34 34 GLY CA C 34 46.649 46.649 47.325 -0.677 18706 491 1 4 . 1 1 35 35 ILE N N 35 121.351 121.351 122.974 -1.623 18706 492 1 4 . 1 1 35 35 ILE HA H 35 3.797 3.797 3.738 0.059 18706 493 1 4 . 1 1 35 35 ILE CA C 35 65.632 65.632 64.743 0.889 18706 494 1 4 . 1 1 35 35 ILE CB C 35 37.845 37.845 38.124 -0.279 18706 495 1 4 . 1 1 35 35 ILE H H 35 7.478 7.478 7.810 -0.332 18706 496 1 4 . 1 1 36 36 LEU N N 36 119.361 119.361 120.529 -1.168 18706 497 1 4 . 1 1 36 36 LEU HA H 36 3.870 3.870 3.951 -0.081 18706 498 1 4 . 1 1 36 36 LEU CA C 36 57.867 57.867 57.819 0.048 18706 499 1 4 . 1 1 36 36 LEU CB C 36 42.058 42.058 41.448 0.610 18706 500 1 4 . 1 1 36 36 LEU H H 36 8.726 8.726 8.023 0.703 18706 501 1 4 . 1 1 37 37 HIS N N 37 116.547 116.547 118.795 -2.248 18706 502 1 4 . 1 1 37 37 HIS HA H 37 4.112 4.112 4.256 -0.144 18706 503 1 4 . 1 1 37 37 HIS CA C 37 57.307 57.307 60.094 -2.787 18706 504 1 4 . 1 1 37 37 HIS CB C 37 30.893 30.893 29.938 0.956 18706 505 1 4 . 1 1 37 37 HIS H H 37 9.111 9.111 7.957 1.154 18706 506 1 4 . 1 1 38 38 LEU N N 38 117.109 117.109 120.185 -3.076 18706 507 1 4 . 1 1 38 38 LEU HA H 38 3.013 3.013 4.211 -1.198 18706 508 1 4 . 1 1 38 38 LEU CA C 38 58.434 58.434 58.387 0.047 18706 509 1 4 . 1 1 38 38 LEU CB C 38 37.761 37.761 42.045 -4.285 18706 510 1 4 . 1 1 38 38 LEU H H 38 6.860 6.860 7.823 -0.963 18706 511 1 4 . 1 1 39 39 ILE N N 39 117.022 117.022 119.763 -2.741 18706 512 1 4 . 1 1 39 39 ILE HA H 39 3.382 3.382 3.644 -0.262 18706 513 1 4 . 1 1 39 39 ILE CA C 39 65.812 65.812 65.678 0.134 18706 514 1 4 . 1 1 39 39 ILE CB C 39 37.562 37.562 37.805 -0.243 18706 515 1 4 . 1 1 39 39 ILE H H 39 7.626 7.626 7.490 0.136 18706 516 1 4 . 1 1 40 40 LEU N N 40 116.396 116.396 119.854 -3.458 18706 517 1 4 . 1 1 40 40 LEU HA H 40 4.012 4.012 4.004 0.008 18706 518 1 4 . 1 1 40 40 LEU CA C 40 58.032 58.032 58.023 0.010 18706 519 1 4 . 1 1 40 40 LEU CB C 40 41.947 41.947 41.454 0.493 18706 520 1 4 . 1 1 40 40 LEU H H 40 8.827 8.827 7.647 1.180 18706 521 1 4 . 1 1 41 41 TRP N N 41 119.815 119.815 121.253 -1.438 18706 522 1 4 . 1 1 41 41 TRP HA H 41 4.343 4.343 4.425 -0.082 18706 523 1 4 . 1 1 41 41 TRP CA C 41 62.301 62.301 61.045 1.256 18706 524 1 4 . 1 1 41 41 TRP CB C 41 27.395 27.395 30.048 -2.653 18706 525 1 4 . 1 1 41 41 TRP H H 41 8.229 8.229 8.534 -0.305 18706 526 1 4 . 1 1 42 42 ILE N N 42 118.537 118.537 119.369 -0.832 18706 527 1 4 . 1 1 42 42 ILE HA H 42 3.051 3.051 3.498 -0.447 18706 528 1 4 . 1 1 42 42 ILE CA C 42 65.166 65.166 64.769 0.397 18706 529 1 4 . 1 1 42 42 ILE CB C 42 37.696 37.696 37.370 0.326 18706 530 1 4 . 1 1 42 42 ILE H H 42 8.432 8.432 8.885 -0.453 18706 531 1 4 . 1 1 43 43 LEU N N 43 118.124 118.124 121.146 -3.022 18706 532 1 4 . 1 1 43 43 LEU HA H 43 4.005 4.005 3.880 0.125 18706 533 1 4 . 1 1 43 43 LEU CA C 43 58.472 58.472 58.269 0.203 18706 534 1 4 . 1 1 43 43 LEU CB C 43 41.942 41.942 41.479 0.463 18706 535 1 4 . 1 1 43 43 LEU H H 43 8.149 8.149 8.160 -0.011 18706 536 1 4 . 1 1 44 44 ASP N N 44 119.401 119.401 118.917 0.484 18706 537 1 4 . 1 1 44 44 ASP HA H 44 4.580 4.580 4.449 0.131 18706 538 1 4 . 1 1 44 44 ASP CA C 44 58.165 58.165 57.579 0.586 18706 539 1 4 . 1 1 44 44 ASP CB C 44 43.647 43.647 40.329 3.318 18706 540 1 4 . 1 1 44 44 ASP H H 44 8.572 8.572 8.095 0.477 18706 541 1 4 . 1 1 45 45 ARG N N 45 115.835 115.835 118.479 -2.644 18706 542 1 4 . 1 1 45 45 ARG HA H 45 3.954 3.954 4.238 -0.284 18706 543 1 4 . 1 1 45 45 ARG CA C 45 56.437 56.437 57.026 -0.589 18706 544 1 4 . 1 1 45 45 ARG CB C 45 29.411 29.411 30.026 -0.615 18706 545 1 4 . 1 1 45 45 ARG H H 45 7.962 7.962 7.395 0.567 18706 546 1 4 . 1 1 46 46 LEU N N 46 114.591 114.591 121.110 -6.519 18706 547 1 4 . 1 1 46 46 LEU HA H 46 3.952 3.952 3.890 0.062 18706 548 1 4 . 1 1 46 46 LEU CA C 46 56.521 56.521 57.834 -1.313 18706 549 1 4 . 1 1 46 46 LEU CB C 46 43.024 43.024 41.727 1.297 18706 550 1 4 . 1 1 46 46 LEU H H 46 8.047 8.047 7.787 0.260 18706 551 1 4 . 1 1 47 47 PHE N N 47 112.891 112.891 116.069 -3.178 18706 552 1 4 . 1 1 47 47 PHE HA H 47 4.618 4.618 4.156 0.462 18706 553 1 4 . 1 1 47 47 PHE CA C 47 59.065 59.065 61.663 -2.598 18706 554 1 4 . 1 1 47 47 PHE CB C 47 41.119 41.119 39.512 1.607 18706 555 1 4 . 1 1 47 47 PHE H H 47 8.030 8.030 7.448 0.582 18706 556 1 4 . 1 1 48 48 PHE N N 48 118.885 118.885 118.651 0.234 18706 557 1 4 . 1 1 48 48 PHE HA H 48 4.893 4.893 4.694 0.199 18706 558 1 4 . 1 1 48 48 PHE CA C 48 57.576 57.576 56.953 0.623 18706 559 1 4 . 1 1 48 48 PHE CB C 48 39.388 39.388 40.024 -0.636 18706 560 1 4 . 1 1 48 48 PHE H H 48 8.300 8.300 7.844 0.456 18706 561 1 5 . 1 1 20 20 ASN N N 20 120.297 120.297 120.826 -0.529 18706 562 1 5 . 1 1 20 20 ASN HA H 20 4.861 4.861 4.846 0.015 18706 563 1 5 . 1 1 20 20 ASN CA C 20 53.430 53.430 53.253 0.177 18706 564 1 5 . 1 1 20 20 ASN CB C 20 38.831 38.831 40.423 -1.593 18706 565 1 5 . 1 1 20 20 ASN H H 20 8.313 8.313 8.719 -0.406 18706 566 1 5 . 1 1 21 21 ASP N N 21 120.233 120.233 120.497 -0.264 18706 567 1 5 . 1 1 21 21 ASP HA H 21 4.756 4.756 4.671 0.085 18706 568 1 5 . 1 1 21 21 ASP CA C 21 54.305 54.305 55.124 -0.819 18706 569 1 5 . 1 1 21 21 ASP CB C 21 41.911 41.911 40.824 1.087 18706 570 1 5 . 1 1 21 21 ASP H H 21 8.280 8.280 8.696 -0.416 18706 571 1 5 . 1 1 22 22 SER N N 22 115.690 115.690 113.966 1.724 18706 572 1 5 . 1 1 22 22 SER HA H 22 4.410 4.410 4.306 0.104 18706 573 1 5 . 1 1 22 22 SER CA C 22 58.393 58.393 59.765 -1.372 18706 574 1 5 . 1 1 22 22 SER CB C 22 63.850 63.850 63.548 0.302 18706 575 1 5 . 1 1 22 22 SER H H 22 8.347 8.347 8.005 0.342 18706 576 1 5 . 1 1 23 23 SER N N 23 115.951 115.951 115.919 0.032 18706 577 1 5 . 1 1 23 23 SER HA H 23 4.330 4.330 4.549 -0.219 18706 578 1 5 . 1 1 23 23 SER CA C 23 58.355 58.355 57.914 0.441 18706 579 1 5 . 1 1 23 23 SER CB C 23 63.851 63.851 64.443 -0.592 18706 580 1 5 . 1 1 23 23 SER H H 23 8.235 8.235 7.512 0.723 18706 581 1 5 . 1 1 24 24 ASP N N 24 124.731 124.731 127.786 -3.055 18706 582 1 5 . 1 1 24 24 ASP HA H 24 4.827 4.827 4.863 -0.036 18706 583 1 5 . 1 1 24 24 ASP CA C 24 52.224 52.224 53.426 -1.202 18706 584 1 5 . 1 1 24 24 ASP CB C 24 43.514 43.514 41.557 1.957 18706 585 1 5 . 1 1 24 24 ASP H H 24 7.963 7.963 8.582 -0.619 18706 586 1 5 . 1 1 25 25 PRO HA H 25 4.129 4.129 4.351 -0.222 18706 587 1 5 . 1 1 25 25 PRO CA C 25 65.502 65.502 65.027 0.475 18706 588 1 5 . 1 1 25 25 PRO CB C 25 32.478 32.478 32.026 0.452 18706 589 1 5 . 1 1 26 26 LEU N N 26 116.951 116.951 119.518 -2.567 18706 590 1 5 . 1 1 26 26 LEU HA H 26 4.054 4.054 4.105 -0.051 18706 591 1 5 . 1 1 26 26 LEU CA C 26 57.440 57.440 58.111 -0.671 18706 592 1 5 . 1 1 26 26 LEU CB C 26 41.242 41.242 41.222 0.020 18706 593 1 5 . 1 1 26 26 LEU H H 26 8.240 8.240 8.162 0.078 18706 594 1 5 . 1 1 27 27 VAL N N 27 118.624 118.624 118.718 -0.094 18706 595 1 5 . 1 1 27 27 VAL HA H 27 3.447 3.447 3.639 -0.192 18706 596 1 5 . 1 1 27 27 VAL CA C 27 65.752 65.752 66.319 -0.567 18706 597 1 5 . 1 1 27 27 VAL CB C 27 25.152 25.152 31.068 -5.916 18706 598 1 5 . 1 1 27 27 VAL H H 27 7.218 7.218 7.419 -0.201 18706 599 1 5 . 1 1 28 28 VAL N N 28 118.219 118.219 120.080 -1.861 18706 600 1 5 . 1 1 28 28 VAL HA H 28 3.501 3.501 3.666 -0.165 18706 601 1 5 . 1 1 28 28 VAL CA C 28 66.968 66.968 66.389 0.579 18706 602 1 5 . 1 1 28 28 VAL CB C 28 31.948 31.948 30.904 1.044 18706 603 1 5 . 1 1 28 28 VAL H H 28 7.866 7.866 7.439 0.427 18706 604 1 5 . 1 1 29 29 ALA N N 29 117.871 117.871 121.430 -3.559 18706 605 1 5 . 1 1 29 29 ALA HA H 29 3.859 3.859 4.007 -0.148 18706 606 1 5 . 1 1 29 29 ALA CA C 29 55.486 55.486 55.167 0.319 18706 607 1 5 . 1 1 29 29 ALA CB C 29 18.727 18.727 17.976 0.751 18706 608 1 5 . 1 1 29 29 ALA H H 29 8.348 8.348 8.291 0.057 18706 609 1 5 . 1 1 30 30 ALA N N 30 118.323 118.323 121.392 -3.069 18706 610 1 5 . 1 1 30 30 ALA HA H 30 3.820 3.820 3.883 -0.063 18706 611 1 5 . 1 1 30 30 ALA CA C 30 55.509 55.509 55.409 0.100 18706 612 1 5 . 1 1 30 30 ALA CB C 30 18.958 18.958 18.119 0.839 18706 613 1 5 . 1 1 30 30 ALA H H 30 8.452 8.452 8.376 0.076 18706 614 1 5 . 1 1 31 31 ASN N N 31 116.443 116.443 117.464 -1.021 18706 615 1 5 . 1 1 31 31 ASN HA H 31 4.470 4.470 4.410 0.060 18706 616 1 5 . 1 1 31 31 ASN CA C 31 55.964 55.964 56.055 -0.091 18706 617 1 5 . 1 1 31 31 ASN CB C 31 37.441 37.441 38.577 -1.136 18706 618 1 5 . 1 1 31 31 ASN H H 31 8.226 8.226 7.777 0.449 18706 619 1 5 . 1 1 32 32 ILE N N 32 118.219 118.219 121.404 -3.185 18706 620 1 5 . 1 1 32 32 ILE HA H 32 3.557 3.557 3.663 -0.106 18706 621 1 5 . 1 1 32 32 ILE CA C 32 65.529 65.529 65.672 -0.143 18706 622 1 5 . 1 1 32 32 ILE CB C 32 37.736 37.736 37.937 -0.201 18706 623 1 5 . 1 1 32 32 ILE H H 32 8.055 8.055 7.747 0.308 18706 624 1 5 . 1 1 33 33 ILE N N 33 120.114 120.114 119.962 0.152 18706 625 1 5 . 1 1 33 33 ILE HA H 33 3.590 3.590 3.661 -0.071 18706 626 1 5 . 1 1 33 33 ILE CA C 33 65.111 65.111 65.705 -0.594 18706 627 1 5 . 1 1 33 33 ILE CB C 33 35.842 35.842 37.532 -1.690 18706 628 1 5 . 1 1 33 33 ILE H H 33 8.753 8.753 8.741 0.012 18706 629 1 5 . 1 1 34 34 GLY N N 34 108.895 108.895 108.292 0.603 18706 630 1 5 . 1 1 34 34 GLY CA C 34 46.649 46.649 47.251 -0.602 18706 631 1 5 . 1 1 35 35 ILE N N 35 121.351 121.351 122.942 -1.591 18706 632 1 5 . 1 1 35 35 ILE HA H 35 3.797 3.797 3.691 0.106 18706 633 1 5 . 1 1 35 35 ILE CA C 35 65.632 65.632 64.919 0.713 18706 634 1 5 . 1 1 35 35 ILE CB C 35 37.845 37.845 38.021 -0.176 18706 635 1 5 . 1 1 35 35 ILE H H 35 7.478 7.478 7.850 -0.372 18706 636 1 5 . 1 1 36 36 LEU N N 36 119.361 119.361 119.547 -0.186 18706 637 1 5 . 1 1 36 36 LEU HA H 36 3.870 3.870 3.854 0.016 18706 638 1 5 . 1 1 36 36 LEU CA C 36 57.867 57.867 58.158 -0.291 18706 639 1 5 . 1 1 36 36 LEU CB C 36 42.058 42.058 41.428 0.630 18706 640 1 5 . 1 1 36 36 LEU H H 36 8.726 8.726 8.056 0.670 18706 641 1 5 . 1 1 37 37 HIS N N 37 116.547 116.547 119.026 -2.479 18706 642 1 5 . 1 1 37 37 HIS HA H 37 4.112 4.112 4.243 -0.131 18706 643 1 5 . 1 1 37 37 HIS CA C 37 57.307 57.307 60.117 -2.810 18706 644 1 5 . 1 1 37 37 HIS CB C 37 30.893 30.893 30.032 0.861 18706 645 1 5 . 1 1 37 37 HIS H H 37 9.111 9.111 8.024 1.087 18706 646 1 5 . 1 1 38 38 LEU N N 38 117.109 117.109 120.076 -2.967 18706 647 1 5 . 1 1 38 38 LEU HA H 38 3.013 3.013 4.221 -1.208 18706 648 1 5 . 1 1 38 38 LEU CA C 38 58.434 58.434 58.430 0.004 18706 649 1 5 . 1 1 38 38 LEU CB C 38 37.761 37.761 41.998 -4.237 18706 650 1 5 . 1 1 38 38 LEU H H 38 6.860 6.860 7.769 -0.909 18706 651 1 5 . 1 1 39 39 ILE N N 39 117.022 117.022 119.751 -2.729 18706 652 1 5 . 1 1 39 39 ILE HA H 39 3.382 3.382 3.631 -0.249 18706 653 1 5 . 1 1 39 39 ILE CA C 39 65.812 65.812 65.609 0.203 18706 654 1 5 . 1 1 39 39 ILE CB C 39 37.562 37.562 37.776 -0.214 18706 655 1 5 . 1 1 39 39 ILE H H 39 7.626 7.626 7.483 0.143 18706 656 1 5 . 1 1 40 40 LEU N N 40 116.396 116.396 119.655 -3.259 18706 657 1 5 . 1 1 40 40 LEU HA H 40 4.012 4.012 4.001 0.011 18706 658 1 5 . 1 1 40 40 LEU CA C 40 58.032 58.032 57.934 0.098 18706 659 1 5 . 1 1 40 40 LEU CB C 40 41.947 41.947 41.489 0.458 18706 660 1 5 . 1 1 40 40 LEU H H 40 8.827 8.827 7.590 1.237 18706 661 1 5 . 1 1 41 41 TRP N N 41 119.815 119.815 121.487 -1.672 18706 662 1 5 . 1 1 41 41 TRP HA H 41 4.343 4.343 4.387 -0.044 18706 663 1 5 . 1 1 41 41 TRP CA C 41 62.301 62.301 61.114 1.187 18706 664 1 5 . 1 1 41 41 TRP CB C 41 27.395 27.395 29.931 -2.536 18706 665 1 5 . 1 1 41 41 TRP H H 41 8.229 8.229 8.635 -0.406 18706 666 1 5 . 1 1 42 42 ILE N N 42 118.537 118.537 119.339 -0.802 18706 667 1 5 . 1 1 42 42 ILE HA H 42 3.051 3.051 3.360 -0.309 18706 668 1 5 . 1 1 42 42 ILE CA C 42 65.166 65.166 65.048 0.118 18706 669 1 5 . 1 1 42 42 ILE CB C 42 37.696 37.696 37.462 0.234 18706 670 1 5 . 1 1 42 42 ILE H H 42 8.432 8.432 8.862 -0.430 18706 671 1 5 . 1 1 43 43 LEU N N 43 118.124 118.124 120.389 -2.265 18706 672 1 5 . 1 1 43 43 LEU HA H 43 4.005 4.005 3.673 0.332 18706 673 1 5 . 1 1 43 43 LEU CA C 43 58.472 58.472 58.202 0.270 18706 674 1 5 . 1 1 43 43 LEU CB C 43 41.942 41.942 41.405 0.537 18706 675 1 5 . 1 1 43 43 LEU H H 43 8.149 8.149 7.761 0.388 18706 676 1 5 . 1 1 44 44 ASP N N 44 119.401 119.401 118.947 0.454 18706 677 1 5 . 1 1 44 44 ASP HA H 44 4.580 4.580 4.303 0.277 18706 678 1 5 . 1 1 44 44 ASP CA C 44 58.165 58.165 57.214 0.951 18706 679 1 5 . 1 1 44 44 ASP CB C 44 43.647 43.647 40.332 3.315 18706 680 1 5 . 1 1 44 44 ASP H H 44 8.572 8.572 8.140 0.432 18706 681 1 5 . 1 1 45 45 ARG N N 45 115.835 115.835 118.582 -2.747 18706 682 1 5 . 1 1 45 45 ARG HA H 45 3.954 3.954 3.985 -0.031 18706 683 1 5 . 1 1 45 45 ARG CA C 45 56.437 56.437 57.489 -1.052 18706 684 1 5 . 1 1 45 45 ARG CB C 45 29.411 29.411 30.065 -0.654 18706 685 1 5 . 1 1 45 45 ARG H H 45 7.962 7.962 7.395 0.567 18706 686 1 5 . 1 1 46 46 LEU N N 46 114.591 114.591 121.412 -6.821 18706 687 1 5 . 1 1 46 46 LEU HA H 46 3.952 3.952 3.368 0.584 18706 688 1 5 . 1 1 46 46 LEU CA C 46 56.521 56.521 56.941 -0.420 18706 689 1 5 . 1 1 46 46 LEU CB C 46 43.024 43.024 41.594 1.430 18706 690 1 5 . 1 1 46 46 LEU H H 46 8.047 8.047 7.481 0.566 18706 691 1 5 . 1 1 47 47 PHE N N 47 112.891 112.891 118.067 -5.176 18706 692 1 5 . 1 1 47 47 PHE HA H 47 4.618 4.618 4.382 0.236 18706 693 1 5 . 1 1 47 47 PHE CA C 47 59.065 59.065 56.379 2.686 18706 694 1 5 . 1 1 47 47 PHE CB C 47 41.119 41.119 37.418 3.701 18706 695 1 5 . 1 1 47 47 PHE H H 47 8.030 8.030 7.236 0.794 18706 696 1 5 . 1 1 48 48 PHE N N 48 118.885 118.885 118.427 0.458 18706 697 1 5 . 1 1 48 48 PHE HA H 48 4.893 4.893 4.304 0.589 18706 698 1 5 . 1 1 48 48 PHE CA C 48 57.576 57.576 56.260 1.316 18706 699 1 5 . 1 1 48 48 PHE CB C 48 39.388 39.388 38.941 0.447 18706 700 1 5 . 1 1 48 48 PHE H H 48 8.300 8.300 6.168 2.132 18706 701 1 6 . 1 1 20 20 ASN N N 20 120.297 120.297 123.294 -2.997 18706 702 1 6 . 1 1 20 20 ASN HA H 20 4.861 4.861 4.557 0.304 18706 703 1 6 . 1 1 20 20 ASN CA C 20 53.430 53.430 53.797 -0.367 18706 704 1 6 . 1 1 20 20 ASN CB C 20 38.831 38.831 38.831 0.000 18706 705 1 6 . 1 1 20 20 ASN H H 20 8.313 8.313 8.710 -0.397 18706 706 1 6 . 1 1 21 21 ASP N N 21 120.233 120.233 119.291 0.942 18706 707 1 6 . 1 1 21 21 ASP HA H 21 4.756 4.756 4.542 0.214 18706 708 1 6 . 1 1 21 21 ASP CA C 21 54.305 54.305 55.537 -1.232 18706 709 1 6 . 1 1 21 21 ASP CB C 21 41.911 41.911 40.660 1.252 18706 710 1 6 . 1 1 21 21 ASP H H 21 8.280 8.280 8.787 -0.507 18706 711 1 6 . 1 1 22 22 SER N N 22 115.690 115.690 114.564 1.126 18706 712 1 6 . 1 1 22 22 SER HA H 22 4.410 4.410 4.305 0.105 18706 713 1 6 . 1 1 22 22 SER CA C 22 58.393 58.393 60.298 -1.905 18706 714 1 6 . 1 1 22 22 SER CB C 22 63.850 63.850 63.514 0.336 18706 715 1 6 . 1 1 22 22 SER H H 22 8.347 8.347 8.143 0.204 18706 716 1 6 . 1 1 23 23 SER N N 23 115.951 115.951 115.633 0.318 18706 717 1 6 . 1 1 23 23 SER HA H 23 4.330 4.330 4.524 -0.194 18706 718 1 6 . 1 1 23 23 SER CA C 23 58.355 58.355 57.798 0.557 18706 719 1 6 . 1 1 23 23 SER CB C 23 63.851 63.851 65.423 -1.572 18706 720 1 6 . 1 1 23 23 SER H H 23 8.235 8.235 7.592 0.643 18706 721 1 6 . 1 1 24 24 ASP N N 24 124.731 124.731 125.598 -0.867 18706 722 1 6 . 1 1 24 24 ASP HA H 24 4.827 4.827 4.899 -0.072 18706 723 1 6 . 1 1 24 24 ASP CA C 24 52.224 52.224 52.589 -0.365 18706 724 1 6 . 1 1 24 24 ASP CB C 24 43.514 43.514 41.309 2.205 18706 725 1 6 . 1 1 24 24 ASP H H 24 7.963 7.963 8.361 -0.398 18706 726 1 6 . 1 1 25 25 PRO HA H 25 4.129 4.129 4.176 -0.047 18706 727 1 6 . 1 1 25 25 PRO CA C 25 65.502 65.502 65.932 -0.430 18706 728 1 6 . 1 1 25 25 PRO CB C 25 32.478 32.478 31.832 0.646 18706 729 1 6 . 1 1 26 26 LEU N N 26 116.951 116.951 116.482 0.469 18706 730 1 6 . 1 1 26 26 LEU HA H 26 4.054 4.054 4.098 -0.044 18706 731 1 6 . 1 1 26 26 LEU CA C 26 57.440 57.440 58.186 -0.746 18706 732 1 6 . 1 1 26 26 LEU CB C 26 41.242 41.242 41.138 0.104 18706 733 1 6 . 1 1 26 26 LEU H H 26 8.240 8.240 8.198 0.042 18706 734 1 6 . 1 1 27 27 VAL N N 27 118.624 118.624 119.025 -0.401 18706 735 1 6 . 1 1 27 27 VAL HA H 27 3.447 3.447 3.600 -0.153 18706 736 1 6 . 1 1 27 27 VAL CA C 27 65.752 65.752 66.643 -0.891 18706 737 1 6 . 1 1 27 27 VAL CB C 27 25.152 25.152 31.275 -6.123 18706 738 1 6 . 1 1 27 27 VAL H H 27 7.218 7.218 7.605 -0.387 18706 739 1 6 . 1 1 28 28 VAL N N 28 118.219 118.219 119.766 -1.547 18706 740 1 6 . 1 1 28 28 VAL HA H 28 3.501 3.501 3.541 -0.040 18706 741 1 6 . 1 1 28 28 VAL CA C 28 66.968 66.968 67.130 -0.162 18706 742 1 6 . 1 1 28 28 VAL CB C 28 31.948 31.948 31.376 0.572 18706 743 1 6 . 1 1 28 28 VAL H H 28 7.866 7.866 7.721 0.145 18706 744 1 6 . 1 1 29 29 ALA N N 29 117.871 117.871 121.526 -3.655 18706 745 1 6 . 1 1 29 29 ALA HA H 29 3.859 3.859 4.010 -0.151 18706 746 1 6 . 1 1 29 29 ALA CA C 29 55.486 55.486 55.235 0.251 18706 747 1 6 . 1 1 29 29 ALA CB C 29 18.727 18.727 18.022 0.705 18706 748 1 6 . 1 1 29 29 ALA H H 29 8.348 8.348 8.491 -0.143 18706 749 1 6 . 1 1 30 30 ALA N N 30 118.323 118.323 121.524 -3.201 18706 750 1 6 . 1 1 30 30 ALA HA H 30 3.820 3.820 3.934 -0.114 18706 751 1 6 . 1 1 30 30 ALA CA C 30 55.509 55.509 55.372 0.137 18706 752 1 6 . 1 1 30 30 ALA CB C 30 18.958 18.958 18.213 0.745 18706 753 1 6 . 1 1 30 30 ALA H H 30 8.452 8.452 8.587 -0.135 18706 754 1 6 . 1 1 31 31 ASN N N 31 116.443 116.443 117.420 -0.977 18706 755 1 6 . 1 1 31 31 ASN HA H 31 4.470 4.470 4.470 -0.000 18706 756 1 6 . 1 1 31 31 ASN CA C 31 55.964 55.964 55.830 0.134 18706 757 1 6 . 1 1 31 31 ASN CB C 31 37.441 37.441 38.187 -0.746 18706 758 1 6 . 1 1 31 31 ASN H H 31 8.226 8.226 7.869 0.357 18706 759 1 6 . 1 1 32 32 ILE N N 32 118.219 118.219 121.609 -3.390 18706 760 1 6 . 1 1 32 32 ILE HA H 32 3.557 3.557 3.728 -0.171 18706 761 1 6 . 1 1 32 32 ILE CA C 32 65.529 65.529 65.471 0.058 18706 762 1 6 . 1 1 32 32 ILE CB C 32 37.736 37.736 37.901 -0.166 18706 763 1 6 . 1 1 32 32 ILE H H 32 8.055 8.055 7.841 0.214 18706 764 1 6 . 1 1 33 33 ILE N N 33 120.114 120.114 119.981 0.133 18706 765 1 6 . 1 1 33 33 ILE HA H 33 3.590 3.590 3.752 -0.162 18706 766 1 6 . 1 1 33 33 ILE CA C 33 65.111 65.111 64.823 0.288 18706 767 1 6 . 1 1 33 33 ILE CB C 33 35.842 35.842 36.668 -0.826 18706 768 1 6 . 1 1 33 33 ILE H H 33 8.753 8.753 8.732 0.021 18706 769 1 6 . 1 1 34 34 GLY N N 34 108.895 108.895 108.460 0.435 18706 770 1 6 . 1 1 34 34 GLY CA C 34 46.649 46.649 47.294 -0.645 18706 771 1 6 . 1 1 35 35 ILE N N 35 121.351 121.351 122.992 -1.641 18706 772 1 6 . 1 1 35 35 ILE HA H 35 3.797 3.797 3.703 0.094 18706 773 1 6 . 1 1 35 35 ILE CA C 35 65.632 65.632 64.928 0.704 18706 774 1 6 . 1 1 35 35 ILE CB C 35 37.845 37.845 38.035 -0.189 18706 775 1 6 . 1 1 35 35 ILE H H 35 7.478 7.478 7.729 -0.251 18706 776 1 6 . 1 1 36 36 LEU N N 36 119.361 119.361 119.563 -0.202 18706 777 1 6 . 1 1 36 36 LEU HA H 36 3.870 3.870 3.870 0.000 18706 778 1 6 . 1 1 36 36 LEU CA C 36 57.867 57.867 58.170 -0.303 18706 779 1 6 . 1 1 36 36 LEU CB C 36 42.058 42.058 41.424 0.634 18706 780 1 6 . 1 1 36 36 LEU H H 36 8.726 8.726 8.210 0.516 18706 781 1 6 . 1 1 37 37 HIS N N 37 116.547 116.547 119.142 -2.595 18706 782 1 6 . 1 1 37 37 HIS HA H 37 4.112 4.112 4.254 -0.142 18706 783 1 6 . 1 1 37 37 HIS CA C 37 57.307 57.307 60.204 -2.897 18706 784 1 6 . 1 1 37 37 HIS CB C 37 30.893 30.893 30.041 0.852 18706 785 1 6 . 1 1 37 37 HIS H H 37 9.111 9.111 8.092 1.019 18706 786 1 6 . 1 1 38 38 LEU N N 38 117.109 117.109 120.096 -2.987 18706 787 1 6 . 1 1 38 38 LEU HA H 38 3.013 3.013 4.258 -1.245 18706 788 1 6 . 1 1 38 38 LEU CA C 38 58.434 58.434 58.545 -0.111 18706 789 1 6 . 1 1 38 38 LEU CB C 38 37.761 37.761 42.039 -4.278 18706 790 1 6 . 1 1 38 38 LEU H H 38 6.860 6.860 7.801 -0.941 18706 791 1 6 . 1 1 39 39 ILE N N 39 117.022 117.022 119.742 -2.720 18706 792 1 6 . 1 1 39 39 ILE HA H 39 3.382 3.382 3.677 -0.295 18706 793 1 6 . 1 1 39 39 ILE CA C 39 65.812 65.812 65.588 0.224 18706 794 1 6 . 1 1 39 39 ILE CB C 39 37.562 37.562 37.870 -0.307 18706 795 1 6 . 1 1 39 39 ILE H H 39 7.626 7.626 7.517 0.109 18706 796 1 6 . 1 1 40 40 LEU N N 40 116.396 116.396 119.927 -3.531 18706 797 1 6 . 1 1 40 40 LEU HA H 40 4.012 4.012 4.038 -0.026 18706 798 1 6 . 1 1 40 40 LEU CA C 40 58.032 58.032 57.942 0.090 18706 799 1 6 . 1 1 40 40 LEU CB C 40 41.947 41.947 41.742 0.205 18706 800 1 6 . 1 1 40 40 LEU H H 40 8.827 8.827 7.787 1.040 18706 801 1 6 . 1 1 41 41 TRP N N 41 119.815 119.815 121.557 -1.742 18706 802 1 6 . 1 1 41 41 TRP HA H 41 4.343 4.343 4.375 -0.032 18706 803 1 6 . 1 1 41 41 TRP CA C 41 62.301 62.301 61.260 1.041 18706 804 1 6 . 1 1 41 41 TRP CB C 41 27.395 27.395 29.785 -2.390 18706 805 1 6 . 1 1 41 41 TRP H H 41 8.229 8.229 8.724 -0.495 18706 806 1 6 . 1 1 42 42 ILE N N 42 118.537 118.537 119.778 -1.241 18706 807 1 6 . 1 1 42 42 ILE HA H 42 3.051 3.051 3.165 -0.114 18706 808 1 6 . 1 1 42 42 ILE CA C 42 65.166 65.166 64.322 0.844 18706 809 1 6 . 1 1 42 42 ILE CB C 42 37.696 37.696 38.075 -0.379 18706 810 1 6 . 1 1 42 42 ILE H H 42 8.432 8.432 8.741 -0.309 18706 811 1 6 . 1 1 43 43 LEU N N 43 118.124 118.124 120.542 -2.418 18706 812 1 6 . 1 1 43 43 LEU HA H 43 4.005 4.005 3.911 0.094 18706 813 1 6 . 1 1 43 43 LEU CA C 43 58.472 58.472 57.940 0.532 18706 814 1 6 . 1 1 43 43 LEU CB C 43 41.942 41.942 41.456 0.486 18706 815 1 6 . 1 1 43 43 LEU H H 43 8.149 8.149 7.688 0.461 18706 816 1 6 . 1 1 44 44 ASP N N 44 119.401 119.401 118.799 0.602 18706 817 1 6 . 1 1 44 44 ASP HA H 44 4.580 4.580 4.413 0.167 18706 818 1 6 . 1 1 44 44 ASP CA C 44 58.165 58.165 57.256 0.909 18706 819 1 6 . 1 1 44 44 ASP CB C 44 43.647 43.647 40.294 3.353 18706 820 1 6 . 1 1 44 44 ASP H H 44 8.572 8.572 8.075 0.497 18706 821 1 6 . 1 1 45 45 ARG N N 45 115.835 115.835 118.943 -3.108 18706 822 1 6 . 1 1 45 45 ARG HA H 45 3.954 3.954 4.092 -0.138 18706 823 1 6 . 1 1 45 45 ARG CA C 45 56.437 56.437 57.809 -1.372 18706 824 1 6 . 1 1 45 45 ARG CB C 45 29.411 29.411 29.890 -0.479 18706 825 1 6 . 1 1 45 45 ARG H H 45 7.962 7.962 7.467 0.495 18706 826 1 6 . 1 1 46 46 LEU N N 46 114.591 114.591 120.460 -5.869 18706 827 1 6 . 1 1 46 46 LEU HA H 46 3.952 3.952 3.954 -0.002 18706 828 1 6 . 1 1 46 46 LEU CA C 46 56.521 56.521 57.258 -0.737 18706 829 1 6 . 1 1 46 46 LEU CB C 46 43.024 43.024 41.944 1.079 18706 830 1 6 . 1 1 46 46 LEU H H 46 8.047 8.047 7.195 0.852 18706 831 1 6 . 1 1 47 47 PHE N N 47 112.891 112.891 118.017 -5.126 18706 832 1 6 . 1 1 47 47 PHE HA H 47 4.618 4.618 4.664 -0.046 18706 833 1 6 . 1 1 47 47 PHE CA C 47 59.065 59.065 56.501 2.564 18706 834 1 6 . 1 1 47 47 PHE CB C 47 41.119 41.119 37.956 3.163 18706 835 1 6 . 1 1 47 47 PHE H H 47 8.030 8.030 7.692 0.338 18706 836 1 6 . 1 1 48 48 PHE N N 48 118.885 118.885 119.528 -0.643 18706 837 1 6 . 1 1 48 48 PHE HA H 48 4.893 4.893 4.362 0.531 18706 838 1 6 . 1 1 48 48 PHE CA C 48 57.576 57.576 57.599 -0.023 18706 839 1 6 . 1 1 48 48 PHE CB C 48 39.388 39.388 39.557 -0.169 18706 840 1 6 . 1 1 48 48 PHE H H 48 8.300 8.300 7.801 0.499 18706 841 1 7 . 1 1 20 20 ASN N N 20 120.297 120.297 121.716 -1.419 18706 842 1 7 . 1 1 20 20 ASN HA H 20 4.861 4.861 4.784 0.077 18706 843 1 7 . 1 1 20 20 ASN CA C 20 53.430 53.430 52.390 1.040 18706 844 1 7 . 1 1 20 20 ASN CB C 20 38.831 38.831 39.280 -0.449 18706 845 1 7 . 1 1 20 20 ASN H H 20 8.313 8.313 7.918 0.395 18706 846 1 7 . 1 1 21 21 ASP N N 21 120.233 120.233 118.205 2.028 18706 847 1 7 . 1 1 21 21 ASP HA H 21 4.756 4.756 4.511 0.245 18706 848 1 7 . 1 1 21 21 ASP CA C 21 54.305 54.305 56.261 -1.956 18706 849 1 7 . 1 1 21 21 ASP CB C 21 41.911 41.911 40.717 1.194 18706 850 1 7 . 1 1 21 21 ASP H H 21 8.280 8.280 8.691 -0.411 18706 851 1 7 . 1 1 22 22 SER N N 22 115.690 115.690 113.190 2.500 18706 852 1 7 . 1 1 22 22 SER HA H 22 4.410 4.410 4.237 0.173 18706 853 1 7 . 1 1 22 22 SER CA C 22 58.393 58.393 60.750 -2.357 18706 854 1 7 . 1 1 22 22 SER CB C 22 63.850 63.850 63.352 0.498 18706 855 1 7 . 1 1 22 22 SER H H 22 8.347 8.347 8.043 0.304 18706 856 1 7 . 1 1 23 23 SER N N 23 115.951 115.951 116.275 -0.324 18706 857 1 7 . 1 1 23 23 SER HA H 23 4.330 4.330 4.508 -0.178 18706 858 1 7 . 1 1 23 23 SER CA C 23 58.355 58.355 57.483 0.872 18706 859 1 7 . 1 1 23 23 SER CB C 23 63.851 63.851 63.331 0.520 18706 860 1 7 . 1 1 23 23 SER H H 23 8.235 8.235 8.592 -0.357 18706 861 1 7 . 1 1 24 24 ASP N N 24 124.731 124.731 128.706 -3.975 18706 862 1 7 . 1 1 24 24 ASP HA H 24 4.827 4.827 4.955 -0.128 18706 863 1 7 . 1 1 24 24 ASP CA C 24 52.224 52.224 53.282 -1.058 18706 864 1 7 . 1 1 24 24 ASP CB C 24 43.514 43.514 41.262 2.252 18706 865 1 7 . 1 1 24 24 ASP H H 24 7.963 7.963 7.994 -0.031 18706 866 1 7 . 1 1 25 25 PRO HA H 25 4.129 4.129 4.182 -0.053 18706 867 1 7 . 1 1 25 25 PRO CA C 25 65.502 65.502 66.073 -0.571 18706 868 1 7 . 1 1 25 25 PRO CB C 25 32.478 32.478 31.857 0.622 18706 869 1 7 . 1 1 26 26 LEU N N 26 116.951 116.951 116.984 -0.033 18706 870 1 7 . 1 1 26 26 LEU HA H 26 4.054 4.054 4.109 -0.055 18706 871 1 7 . 1 1 26 26 LEU CA C 26 57.440 57.440 58.149 -0.709 18706 872 1 7 . 1 1 26 26 LEU CB C 26 41.242 41.242 41.264 -0.022 18706 873 1 7 . 1 1 26 26 LEU H H 26 8.240 8.240 8.184 0.056 18706 874 1 7 . 1 1 27 27 VAL N N 27 118.624 118.624 118.651 -0.027 18706 875 1 7 . 1 1 27 27 VAL HA H 27 3.447 3.447 3.587 -0.140 18706 876 1 7 . 1 1 27 27 VAL CA C 27 65.752 65.752 66.164 -0.412 18706 877 1 7 . 1 1 27 27 VAL CB C 27 25.152 25.152 31.009 -5.857 18706 878 1 7 . 1 1 27 27 VAL H H 27 7.218 7.218 7.650 -0.432 18706 879 1 7 . 1 1 28 28 VAL N N 28 118.219 118.219 120.142 -1.923 18706 880 1 7 . 1 1 28 28 VAL HA H 28 3.501 3.501 3.543 -0.042 18706 881 1 7 . 1 1 28 28 VAL CA C 28 66.968 66.968 66.954 0.014 18706 882 1 7 . 1 1 28 28 VAL CB C 28 31.948 31.948 31.435 0.513 18706 883 1 7 . 1 1 28 28 VAL H H 28 7.866 7.866 7.874 -0.008 18706 884 1 7 . 1 1 29 29 ALA N N 29 117.871 117.871 121.163 -3.292 18706 885 1 7 . 1 1 29 29 ALA HA H 29 3.859 3.859 4.001 -0.142 18706 886 1 7 . 1 1 29 29 ALA CA C 29 55.486 55.486 55.140 0.346 18706 887 1 7 . 1 1 29 29 ALA CB C 29 18.727 18.727 18.053 0.673 18706 888 1 7 . 1 1 29 29 ALA H H 29 8.348 8.348 8.391 -0.043 18706 889 1 7 . 1 1 30 30 ALA N N 30 118.323 118.323 121.135 -2.812 18706 890 1 7 . 1 1 30 30 ALA HA H 30 3.820 3.820 3.935 -0.115 18706 891 1 7 . 1 1 30 30 ALA CA C 30 55.509 55.509 55.263 0.246 18706 892 1 7 . 1 1 30 30 ALA CB C 30 18.958 18.958 18.151 0.806 18706 893 1 7 . 1 1 30 30 ALA H H 30 8.452 8.452 8.285 0.167 18706 894 1 7 . 1 1 31 31 ASN N N 31 116.443 116.443 117.455 -1.012 18706 895 1 7 . 1 1 31 31 ASN HA H 31 4.470 4.470 4.480 -0.010 18706 896 1 7 . 1 1 31 31 ASN CA C 31 55.964 55.964 56.014 -0.049 18706 897 1 7 . 1 1 31 31 ASN CB C 31 37.441 37.441 38.116 -0.675 18706 898 1 7 . 1 1 31 31 ASN H H 31 8.226 8.226 7.637 0.589 18706 899 1 7 . 1 1 32 32 ILE N N 32 118.219 118.219 120.671 -2.452 18706 900 1 7 . 1 1 32 32 ILE HA H 32 3.557 3.557 3.812 -0.255 18706 901 1 7 . 1 1 32 32 ILE CA C 32 65.529 65.529 63.472 2.057 18706 902 1 7 . 1 1 32 32 ILE CB C 32 37.736 37.736 36.901 0.835 18706 903 1 7 . 1 1 32 32 ILE H H 32 8.055 8.055 7.484 0.571 18706 904 1 7 . 1 1 33 33 ILE N N 33 120.114 120.114 120.084 0.030 18706 905 1 7 . 1 1 33 33 ILE HA H 33 3.590 3.590 3.688 -0.098 18706 906 1 7 . 1 1 33 33 ILE CA C 33 65.111 65.111 65.758 -0.647 18706 907 1 7 . 1 1 33 33 ILE CB C 33 35.842 35.842 37.339 -1.497 18706 908 1 7 . 1 1 33 33 ILE H H 33 8.753 8.753 8.605 0.148 18706 909 1 7 . 1 1 34 34 GLY N N 34 108.895 108.895 108.940 -0.045 18706 910 1 7 . 1 1 34 34 GLY CA C 34 46.649 46.649 47.485 -0.836 18706 911 1 7 . 1 1 35 35 ILE N N 35 121.351 121.351 122.569 -1.218 18706 912 1 7 . 1 1 35 35 ILE HA H 35 3.797 3.797 3.883 -0.086 18706 913 1 7 . 1 1 35 35 ILE CA C 35 65.632 65.632 62.771 2.861 18706 914 1 7 . 1 1 35 35 ILE CB C 35 37.845 37.845 36.964 0.881 18706 915 1 7 . 1 1 35 35 ILE H H 35 7.478 7.478 7.571 -0.093 18706 916 1 7 . 1 1 36 36 LEU N N 36 119.361 119.361 120.152 -0.791 18706 917 1 7 . 1 1 36 36 LEU HA H 36 3.870 3.870 3.859 0.011 18706 918 1 7 . 1 1 36 36 LEU CA C 36 57.867 57.867 58.436 -0.569 18706 919 1 7 . 1 1 36 36 LEU CB C 36 42.058 42.058 41.346 0.712 18706 920 1 7 . 1 1 36 36 LEU H H 36 8.726 8.726 7.975 0.751 18706 921 1 7 . 1 1 37 37 HIS N N 37 116.547 116.547 118.909 -2.362 18706 922 1 7 . 1 1 37 37 HIS HA H 37 4.112 4.112 4.264 -0.152 18706 923 1 7 . 1 1 37 37 HIS CA C 37 57.307 57.307 60.172 -2.865 18706 924 1 7 . 1 1 37 37 HIS CB C 37 30.893 30.893 30.166 0.727 18706 925 1 7 . 1 1 37 37 HIS H H 37 9.111 9.111 8.621 0.490 18706 926 1 7 . 1 1 38 38 LEU N N 38 117.109 117.109 120.517 -3.408 18706 927 1 7 . 1 1 38 38 LEU HA H 38 3.013 3.013 4.252 -1.239 18706 928 1 7 . 1 1 38 38 LEU CA C 38 58.434 58.434 58.511 -0.077 18706 929 1 7 . 1 1 38 38 LEU CB C 38 37.761 37.761 42.128 -4.367 18706 930 1 7 . 1 1 38 38 LEU H H 38 6.860 6.860 8.044 -1.184 18706 931 1 7 . 1 1 39 39 ILE N N 39 117.022 117.022 119.776 -2.754 18706 932 1 7 . 1 1 39 39 ILE HA H 39 3.382 3.382 3.680 -0.298 18706 933 1 7 . 1 1 39 39 ILE CA C 39 65.812 65.812 65.703 0.109 18706 934 1 7 . 1 1 39 39 ILE CB C 39 37.562 37.562 37.904 -0.342 18706 935 1 7 . 1 1 39 39 ILE H H 39 7.626 7.626 7.829 -0.203 18706 936 1 7 . 1 1 40 40 LEU N N 40 116.396 116.396 119.960 -3.564 18706 937 1 7 . 1 1 40 40 LEU HA H 40 4.012 4.012 4.029 -0.017 18706 938 1 7 . 1 1 40 40 LEU CA C 40 58.032 58.032 57.944 0.088 18706 939 1 7 . 1 1 40 40 LEU CB C 40 41.947 41.947 41.691 0.256 18706 940 1 7 . 1 1 40 40 LEU H H 40 8.827 8.827 7.773 1.054 18706 941 1 7 . 1 1 41 41 TRP N N 41 119.815 119.815 121.623 -1.808 18706 942 1 7 . 1 1 41 41 TRP HA H 41 4.343 4.343 4.372 -0.029 18706 943 1 7 . 1 1 41 41 TRP CA C 41 62.301 62.301 61.315 0.986 18706 944 1 7 . 1 1 41 41 TRP CB C 41 27.395 27.395 29.856 -2.461 18706 945 1 7 . 1 1 41 41 TRP H H 41 8.229 8.229 8.708 -0.479 18706 946 1 7 . 1 1 42 42 ILE N N 42 118.537 118.537 119.879 -1.342 18706 947 1 7 . 1 1 42 42 ILE HA H 42 3.051 3.051 3.257 -0.206 18706 948 1 7 . 1 1 42 42 ILE CA C 42 65.166 65.166 64.451 0.715 18706 949 1 7 . 1 1 42 42 ILE CB C 42 37.696 37.696 38.110 -0.414 18706 950 1 7 . 1 1 42 42 ILE H H 42 8.432 8.432 8.826 -0.394 18706 951 1 7 . 1 1 43 43 LEU N N 43 118.124 118.124 120.351 -2.227 18706 952 1 7 . 1 1 43 43 LEU HA H 43 4.005 4.005 4.007 -0.002 18706 953 1 7 . 1 1 43 43 LEU CA C 43 58.472 58.472 57.976 0.496 18706 954 1 7 . 1 1 43 43 LEU CB C 43 41.942 41.942 41.531 0.411 18706 955 1 7 . 1 1 43 43 LEU H H 43 8.149 8.149 7.806 0.343 18706 956 1 7 . 1 1 44 44 ASP N N 44 119.401 119.401 118.873 0.528 18706 957 1 7 . 1 1 44 44 ASP HA H 44 4.580 4.580 4.512 0.068 18706 958 1 7 . 1 1 44 44 ASP CA C 44 58.165 58.165 57.276 0.889 18706 959 1 7 . 1 1 44 44 ASP CB C 44 43.647 43.647 40.306 3.341 18706 960 1 7 . 1 1 44 44 ASP H H 44 8.572 8.572 8.009 0.563 18706 961 1 7 . 1 1 45 45 ARG N N 45 115.835 115.835 119.203 -3.368 18706 962 1 7 . 1 1 45 45 ARG HA H 45 3.954 3.954 4.074 -0.120 18706 963 1 7 . 1 1 45 45 ARG CA C 45 56.437 56.437 58.531 -2.094 18706 964 1 7 . 1 1 45 45 ARG CB C 45 29.411 29.411 29.800 -0.389 18706 965 1 7 . 1 1 45 45 ARG H H 45 7.962 7.962 7.243 0.719 18706 966 1 7 . 1 1 46 46 LEU N N 46 114.591 114.591 116.678 -2.087 18706 967 1 7 . 1 1 46 46 LEU HA H 46 3.952 3.952 3.935 0.017 18706 968 1 7 . 1 1 46 46 LEU CA C 46 56.521 56.521 57.523 -1.002 18706 969 1 7 . 1 1 46 46 LEU CB C 46 43.024 43.024 42.143 0.881 18706 970 1 7 . 1 1 46 46 LEU H H 46 8.047 8.047 7.382 0.665 18706 971 1 7 . 1 1 47 47 PHE N N 47 112.891 112.891 115.089 -2.198 18706 972 1 7 . 1 1 47 47 PHE HA H 47 4.618 4.618 4.173 0.445 18706 973 1 7 . 1 1 47 47 PHE CA C 47 59.065 59.065 59.844 -0.779 18706 974 1 7 . 1 1 47 47 PHE CB C 47 41.119 41.119 39.830 1.289 18706 975 1 7 . 1 1 47 47 PHE H H 47 8.030 8.030 7.428 0.602 18706 976 1 7 . 1 1 48 48 PHE N N 48 118.885 118.885 117.303 1.582 18706 977 1 7 . 1 1 48 48 PHE HA H 48 4.893 4.893 4.715 0.178 18706 978 1 7 . 1 1 48 48 PHE CA C 48 57.576 57.576 56.766 0.810 18706 979 1 7 . 1 1 48 48 PHE CB C 48 39.388 39.388 39.732 -0.344 18706 980 1 7 . 1 1 48 48 PHE H H 48 8.300 8.300 7.940 0.360 18706 981 1 8 . 1 1 20 20 ASN N N 20 120.297 120.297 121.130 -0.833 18706 982 1 8 . 1 1 20 20 ASN HA H 20 4.861 4.861 4.644 0.217 18706 983 1 8 . 1 1 20 20 ASN CA C 20 53.430 53.430 54.021 -0.591 18706 984 1 8 . 1 1 20 20 ASN CB C 20 38.831 38.831 38.217 0.614 18706 985 1 8 . 1 1 20 20 ASN H H 20 8.313 8.313 8.711 -0.398 18706 986 1 8 . 1 1 21 21 ASP N N 21 120.233 120.233 115.823 4.410 18706 987 1 8 . 1 1 21 21 ASP HA H 21 4.756 4.756 4.661 0.095 18706 988 1 8 . 1 1 21 21 ASP CA C 21 54.305 54.305 54.077 0.228 18706 989 1 8 . 1 1 21 21 ASP CB C 21 41.911 41.911 39.881 2.030 18706 990 1 8 . 1 1 21 21 ASP H H 21 8.280 8.280 8.278 0.002 18706 991 1 8 . 1 1 22 22 SER N N 22 115.690 115.690 115.408 0.282 18706 992 1 8 . 1 1 22 22 SER HA H 22 4.410 4.410 4.259 0.151 18706 993 1 8 . 1 1 22 22 SER CA C 22 58.393 58.393 60.078 -1.685 18706 994 1 8 . 1 1 22 22 SER CB C 22 63.850 63.850 63.736 0.114 18706 995 1 8 . 1 1 22 22 SER H H 22 8.347 8.347 7.827 0.520 18706 996 1 8 . 1 1 23 23 SER N N 23 115.951 115.951 113.893 2.058 18706 997 1 8 . 1 1 23 23 SER HA H 23 4.330 4.330 4.517 -0.187 18706 998 1 8 . 1 1 23 23 SER CA C 23 58.355 58.355 57.849 0.506 18706 999 1 8 . 1 1 23 23 SER CB C 23 63.851 63.851 64.667 -0.816 18706 1000 1 8 . 1 1 23 23 SER H H 23 8.235 8.235 7.629 0.606 18706 1001 1 8 . 1 1 24 24 ASP N N 24 124.731 124.731 123.518 1.213 18706 1002 1 8 . 1 1 24 24 ASP HA H 24 4.827 4.827 4.968 -0.141 18706 1003 1 8 . 1 1 24 24 ASP CA C 24 52.224 52.224 50.976 1.248 18706 1004 1 8 . 1 1 24 24 ASP CB C 24 43.514 43.514 42.006 1.508 18706 1005 1 8 . 1 1 24 24 ASP H H 24 7.963 7.963 8.513 -0.550 18706 1006 1 8 . 1 1 25 25 PRO HA H 25 4.129 4.129 4.444 -0.315 18706 1007 1 8 . 1 1 25 25 PRO CA C 25 65.502 65.502 63.937 1.565 18706 1008 1 8 . 1 1 25 25 PRO CB C 25 32.478 32.478 32.422 0.056 18706 1009 1 8 . 1 1 26 26 LEU N N 26 116.951 116.951 119.960 -3.009 18706 1010 1 8 . 1 1 26 26 LEU HA H 26 4.054 4.054 3.994 0.060 18706 1011 1 8 . 1 1 26 26 LEU CA C 26 57.440 57.440 58.008 -0.568 18706 1012 1 8 . 1 1 26 26 LEU CB C 26 41.242 41.242 41.413 -0.171 18706 1013 1 8 . 1 1 26 26 LEU H H 26 8.240 8.240 9.034 -0.794 18706 1014 1 8 . 1 1 27 27 VAL N N 27 118.624 118.624 118.361 0.263 18706 1015 1 8 . 1 1 27 27 VAL HA H 27 3.447 3.447 3.660 -0.213 18706 1016 1 8 . 1 1 27 27 VAL CA C 27 65.752 65.752 66.278 -0.527 18706 1017 1 8 . 1 1 27 27 VAL CB C 27 25.152 25.152 31.134 -5.982 18706 1018 1 8 . 1 1 27 27 VAL H H 27 7.218 7.218 7.469 -0.251 18706 1019 1 8 . 1 1 28 28 VAL N N 28 118.219 118.219 119.712 -1.493 18706 1020 1 8 . 1 1 28 28 VAL HA H 28 3.501 3.501 3.578 -0.077 18706 1021 1 8 . 1 1 28 28 VAL CA C 28 66.968 66.968 66.603 0.365 18706 1022 1 8 . 1 1 28 28 VAL CB C 28 31.948 31.948 31.393 0.555 18706 1023 1 8 . 1 1 28 28 VAL H H 28 7.866 7.866 7.461 0.405 18706 1024 1 8 . 1 1 29 29 ALA N N 29 117.871 117.871 121.632 -3.761 18706 1025 1 8 . 1 1 29 29 ALA HA H 29 3.859 3.859 3.980 -0.121 18706 1026 1 8 . 1 1 29 29 ALA CA C 29 55.486 55.486 55.241 0.245 18706 1027 1 8 . 1 1 29 29 ALA CB C 29 18.727 18.727 18.094 0.633 18706 1028 1 8 . 1 1 29 29 ALA H H 29 8.348 8.348 8.375 -0.027 18706 1029 1 8 . 1 1 30 30 ALA N N 30 118.323 118.323 120.838 -2.515 18706 1030 1 8 . 1 1 30 30 ALA HA H 30 3.820 3.820 3.920 -0.100 18706 1031 1 8 . 1 1 30 30 ALA CA C 30 55.509 55.509 55.114 0.395 18706 1032 1 8 . 1 1 30 30 ALA CB C 30 18.958 18.958 18.069 0.889 18706 1033 1 8 . 1 1 30 30 ALA H H 30 8.452 8.452 8.444 0.008 18706 1034 1 8 . 1 1 31 31 ASN N N 31 116.443 116.443 117.562 -1.119 18706 1035 1 8 . 1 1 31 31 ASN HA H 31 4.470 4.470 4.472 -0.002 18706 1036 1 8 . 1 1 31 31 ASN CA C 31 55.964 55.964 56.371 -0.407 18706 1037 1 8 . 1 1 31 31 ASN CB C 31 37.441 37.441 38.666 -1.225 18706 1038 1 8 . 1 1 31 31 ASN H H 31 8.226 8.226 7.642 0.584 18706 1039 1 8 . 1 1 32 32 ILE N N 32 118.219 118.219 120.635 -2.416 18706 1040 1 8 . 1 1 32 32 ILE HA H 32 3.557 3.557 3.705 -0.148 18706 1041 1 8 . 1 1 32 32 ILE CA C 32 65.529 65.529 65.256 0.273 18706 1042 1 8 . 1 1 32 32 ILE CB C 32 37.736 37.736 37.892 -0.156 18706 1043 1 8 . 1 1 32 32 ILE H H 32 8.055 8.055 7.525 0.530 18706 1044 1 8 . 1 1 33 33 ILE N N 33 120.114 120.114 120.069 0.045 18706 1045 1 8 . 1 1 33 33 ILE HA H 33 3.590 3.590 3.736 -0.146 18706 1046 1 8 . 1 1 33 33 ILE CA C 33 65.111 65.111 65.606 -0.495 18706 1047 1 8 . 1 1 33 33 ILE CB C 33 35.842 35.842 37.208 -1.366 18706 1048 1 8 . 1 1 33 33 ILE H H 33 8.753 8.753 7.813 0.940 18706 1049 1 8 . 1 1 34 34 GLY N N 34 108.895 108.895 108.942 -0.047 18706 1050 1 8 . 1 1 34 34 GLY CA C 34 46.649 46.649 47.454 -0.805 18706 1051 1 8 . 1 1 35 35 ILE N N 35 121.351 121.351 122.664 -1.313 18706 1052 1 8 . 1 1 35 35 ILE HA H 35 3.797 3.797 3.953 -0.156 18706 1053 1 8 . 1 1 35 35 ILE CA C 35 65.632 65.632 63.816 1.816 18706 1054 1 8 . 1 1 35 35 ILE CB C 35 37.845 37.845 37.969 -0.124 18706 1055 1 8 . 1 1 35 35 ILE H H 35 7.478 7.478 7.630 -0.152 18706 1056 1 8 . 1 1 36 36 LEU N N 36 119.361 119.361 120.978 -1.617 18706 1057 1 8 . 1 1 36 36 LEU HA H 36 3.870 3.870 3.941 -0.071 18706 1058 1 8 . 1 1 36 36 LEU CA C 36 57.867 57.867 58.301 -0.434 18706 1059 1 8 . 1 1 36 36 LEU CB C 36 42.058 42.058 41.507 0.551 18706 1060 1 8 . 1 1 36 36 LEU H H 36 8.726 8.726 8.667 0.059 18706 1061 1 8 . 1 1 37 37 HIS N N 37 116.547 116.547 118.524 -1.977 18706 1062 1 8 . 1 1 37 37 HIS HA H 37 4.112 4.112 4.281 -0.169 18706 1063 1 8 . 1 1 37 37 HIS CA C 37 57.307 57.307 60.151 -2.844 18706 1064 1 8 . 1 1 37 37 HIS CB C 37 30.893 30.893 30.012 0.881 18706 1065 1 8 . 1 1 37 37 HIS H H 37 9.111 9.111 8.595 0.516 18706 1066 1 8 . 1 1 38 38 LEU N N 38 117.109 117.109 120.240 -3.131 18706 1067 1 8 . 1 1 38 38 LEU HA H 38 3.013 3.013 4.271 -1.258 18706 1068 1 8 . 1 1 38 38 LEU CA C 38 58.434 58.434 58.448 -0.014 18706 1069 1 8 . 1 1 38 38 LEU CB C 38 37.761 37.761 42.029 -4.268 18706 1070 1 8 . 1 1 38 38 LEU H H 38 6.860 6.860 7.827 -0.967 18706 1071 1 8 . 1 1 39 39 ILE N N 39 117.022 117.022 119.914 -2.892 18706 1072 1 8 . 1 1 39 39 ILE HA H 39 3.382 3.382 3.715 -0.333 18706 1073 1 8 . 1 1 39 39 ILE CA C 39 65.812 65.812 65.504 0.308 18706 1074 1 8 . 1 1 39 39 ILE CB C 39 37.562 37.562 37.760 -0.198 18706 1075 1 8 . 1 1 39 39 ILE H H 39 7.626 7.626 7.743 -0.117 18706 1076 1 8 . 1 1 40 40 LEU N N 40 116.396 116.396 119.585 -3.189 18706 1077 1 8 . 1 1 40 40 LEU HA H 40 4.012 4.012 4.099 -0.087 18706 1078 1 8 . 1 1 40 40 LEU CA C 40 58.032 58.032 58.069 -0.037 18706 1079 1 8 . 1 1 40 40 LEU CB C 40 41.947 41.947 40.925 1.022 18706 1080 1 8 . 1 1 40 40 LEU H H 40 8.827 8.827 7.697 1.130 18706 1081 1 8 . 1 1 41 41 TRP N N 41 119.815 119.815 121.504 -1.689 18706 1082 1 8 . 1 1 41 41 TRP HA H 41 4.343 4.343 4.357 -0.014 18706 1083 1 8 . 1 1 41 41 TRP CA C 41 62.301 62.301 61.697 0.604 18706 1084 1 8 . 1 1 41 41 TRP CB C 41 27.395 27.395 29.653 -2.258 18706 1085 1 8 . 1 1 41 41 TRP H H 41 8.229 8.229 8.707 -0.478 18706 1086 1 8 . 1 1 42 42 ILE N N 42 118.537 118.537 120.009 -1.472 18706 1087 1 8 . 1 1 42 42 ILE HA H 42 3.051 3.051 3.166 -0.115 18706 1088 1 8 . 1 1 42 42 ILE CA C 42 65.166 65.166 64.855 0.312 18706 1089 1 8 . 1 1 42 42 ILE CB C 42 37.696 37.696 38.159 -0.463 18706 1090 1 8 . 1 1 42 42 ILE H H 42 8.432 8.432 8.760 -0.328 18706 1091 1 8 . 1 1 43 43 LEU N N 43 118.124 118.124 119.382 -1.258 18706 1092 1 8 . 1 1 43 43 LEU HA H 43 4.005 4.005 3.855 0.150 18706 1093 1 8 . 1 1 43 43 LEU CA C 43 58.472 58.472 57.921 0.551 18706 1094 1 8 . 1 1 43 43 LEU CB C 43 41.942 41.942 41.575 0.367 18706 1095 1 8 . 1 1 43 43 LEU H H 43 8.149 8.149 7.640 0.509 18706 1096 1 8 . 1 1 44 44 ASP N N 44 119.401 119.401 119.164 0.237 18706 1097 1 8 . 1 1 44 44 ASP HA H 44 4.580 4.580 4.490 0.090 18706 1098 1 8 . 1 1 44 44 ASP CA C 44 58.165 58.165 57.350 0.815 18706 1099 1 8 . 1 1 44 44 ASP CB C 44 43.647 43.647 40.647 3.000 18706 1100 1 8 . 1 1 44 44 ASP H H 44 8.572 8.572 8.171 0.401 18706 1101 1 8 . 1 1 45 45 ARG N N 45 115.835 115.835 119.077 -3.242 18706 1102 1 8 . 1 1 45 45 ARG HA H 45 3.954 3.954 4.145 -0.191 18706 1103 1 8 . 1 1 45 45 ARG CA C 45 56.437 56.437 58.818 -2.381 18706 1104 1 8 . 1 1 45 45 ARG CB C 45 29.411 29.411 29.769 -0.358 18706 1105 1 8 . 1 1 45 45 ARG H H 45 7.962 7.962 7.226 0.736 18706 1106 1 8 . 1 1 46 46 LEU N N 46 114.591 114.591 117.760 -3.169 18706 1107 1 8 . 1 1 46 46 LEU HA H 46 3.952 3.952 3.902 0.050 18706 1108 1 8 . 1 1 46 46 LEU CA C 46 56.521 56.521 57.322 -0.800 18706 1109 1 8 . 1 1 46 46 LEU CB C 46 43.024 43.024 41.715 1.310 18706 1110 1 8 . 1 1 46 46 LEU H H 46 8.047 8.047 7.462 0.585 18706 1111 1 8 . 1 1 47 47 PHE N N 47 112.891 112.891 116.356 -3.465 18706 1112 1 8 . 1 1 47 47 PHE HA H 47 4.618 4.618 3.900 0.718 18706 1113 1 8 . 1 1 47 47 PHE CA C 47 59.065 59.065 61.494 -2.429 18706 1114 1 8 . 1 1 47 47 PHE CB C 47 41.119 41.119 39.526 1.593 18706 1115 1 8 . 1 1 47 47 PHE H H 47 8.030 8.030 7.347 0.683 18706 1116 1 8 . 1 1 48 48 PHE N N 48 118.885 118.885 113.998 4.887 18706 1117 1 8 . 1 1 48 48 PHE HA H 48 4.893 4.893 4.813 0.080 18706 1118 1 8 . 1 1 48 48 PHE CA C 48 57.576 57.576 56.851 0.725 18706 1119 1 8 . 1 1 48 48 PHE CB C 48 39.388 39.388 43.199 -3.811 18706 1120 1 8 . 1 1 48 48 PHE H H 48 8.300 8.300 8.310 -0.010 18706 1121 1 9 . 1 1 20 20 ASN N N 20 120.297 120.297 120.280 0.017 18706 1122 1 9 . 1 1 20 20 ASN HA H 20 4.861 4.861 4.907 -0.046 18706 1123 1 9 . 1 1 20 20 ASN CA C 20 53.430 53.430 54.482 -1.052 18706 1124 1 9 . 1 1 20 20 ASN CB C 20 38.831 38.831 38.087 0.744 18706 1125 1 9 . 1 1 20 20 ASN H H 20 8.313 8.313 8.604 -0.291 18706 1126 1 9 . 1 1 21 21 ASP N N 21 120.233 120.233 118.387 1.846 18706 1127 1 9 . 1 1 21 21 ASP HA H 21 4.756 4.756 4.447 0.309 18706 1128 1 9 . 1 1 21 21 ASP CA C 21 54.305 54.305 56.505 -2.200 18706 1129 1 9 . 1 1 21 21 ASP CB C 21 41.911 41.911 40.857 1.054 18706 1130 1 9 . 1 1 21 21 ASP H H 21 8.280 8.280 8.386 -0.106 18706 1131 1 9 . 1 1 22 22 SER N N 22 115.690 115.690 114.995 0.695 18706 1132 1 9 . 1 1 22 22 SER HA H 22 4.410 4.410 4.311 0.099 18706 1133 1 9 . 1 1 22 22 SER CA C 22 58.393 58.393 60.078 -1.685 18706 1134 1 9 . 1 1 22 22 SER CB C 22 63.850 63.850 63.800 0.050 18706 1135 1 9 . 1 1 22 22 SER H H 22 8.347 8.347 7.771 0.576 18706 1136 1 9 . 1 1 23 23 SER N N 23 115.951 115.951 115.944 0.007 18706 1137 1 9 . 1 1 23 23 SER HA H 23 4.330 4.330 4.619 -0.289 18706 1138 1 9 . 1 1 23 23 SER CA C 23 58.355 58.355 57.730 0.625 18706 1139 1 9 . 1 1 23 23 SER CB C 23 63.851 63.851 64.554 -0.703 18706 1140 1 9 . 1 1 23 23 SER H H 23 8.235 8.235 7.458 0.777 18706 1141 1 9 . 1 1 24 24 ASP N N 24 124.731 124.731 126.781 -2.050 18706 1142 1 9 . 1 1 24 24 ASP HA H 24 4.827 4.827 4.940 -0.113 18706 1143 1 9 . 1 1 24 24 ASP CA C 24 52.224 52.224 51.898 0.326 18706 1144 1 9 . 1 1 24 24 ASP CB C 24 43.514 43.514 40.617 2.897 18706 1145 1 9 . 1 1 24 24 ASP H H 24 7.963 7.963 8.566 -0.603 18706 1146 1 9 . 1 1 25 25 PRO HA H 25 4.129 4.129 4.340 -0.211 18706 1147 1 9 . 1 1 25 25 PRO CA C 25 65.502 65.502 64.687 0.815 18706 1148 1 9 . 1 1 25 25 PRO CB C 25 32.478 32.478 31.967 0.511 18706 1149 1 9 . 1 1 26 26 LEU N N 26 116.951 116.951 118.726 -1.775 18706 1150 1 9 . 1 1 26 26 LEU HA H 26 4.054 4.054 4.056 -0.002 18706 1151 1 9 . 1 1 26 26 LEU CA C 26 57.440 57.440 57.768 -0.328 18706 1152 1 9 . 1 1 26 26 LEU CB C 26 41.242 41.242 41.466 -0.224 18706 1153 1 9 . 1 1 26 26 LEU H H 26 8.240 8.240 8.106 0.134 18706 1154 1 9 . 1 1 27 27 VAL N N 27 118.624 118.624 118.653 -0.029 18706 1155 1 9 . 1 1 27 27 VAL HA H 27 3.447 3.447 3.655 -0.208 18706 1156 1 9 . 1 1 27 27 VAL CA C 27 65.752 65.752 66.305 -0.553 18706 1157 1 9 . 1 1 27 27 VAL CB C 27 25.152 25.152 30.958 -5.806 18706 1158 1 9 . 1 1 27 27 VAL H H 27 7.218 7.218 7.418 -0.200 18706 1159 1 9 . 1 1 28 28 VAL N N 28 118.219 118.219 120.248 -2.029 18706 1160 1 9 . 1 1 28 28 VAL HA H 28 3.501 3.501 3.629 -0.128 18706 1161 1 9 . 1 1 28 28 VAL CA C 28 66.968 66.968 66.635 0.333 18706 1162 1 9 . 1 1 28 28 VAL CB C 28 31.948 31.948 30.803 1.145 18706 1163 1 9 . 1 1 28 28 VAL H H 28 7.866 7.866 7.483 0.383 18706 1164 1 9 . 1 1 29 29 ALA N N 29 117.871 117.871 121.690 -3.819 18706 1165 1 9 . 1 1 29 29 ALA HA H 29 3.859 3.859 3.980 -0.121 18706 1166 1 9 . 1 1 29 29 ALA CA C 29 55.486 55.486 55.311 0.175 18706 1167 1 9 . 1 1 29 29 ALA CB C 29 18.727 18.727 17.962 0.765 18706 1168 1 9 . 1 1 29 29 ALA H H 29 8.348 8.348 8.308 0.040 18706 1169 1 9 . 1 1 30 30 ALA N N 30 118.323 118.323 121.364 -3.041 18706 1170 1 9 . 1 1 30 30 ALA HA H 30 3.820 3.820 3.915 -0.095 18706 1171 1 9 . 1 1 30 30 ALA CA C 30 55.509 55.509 55.250 0.259 18706 1172 1 9 . 1 1 30 30 ALA CB C 30 18.958 18.958 18.102 0.856 18706 1173 1 9 . 1 1 30 30 ALA H H 30 8.452 8.452 8.459 -0.007 18706 1174 1 9 . 1 1 31 31 ASN N N 31 116.443 116.443 117.670 -1.227 18706 1175 1 9 . 1 1 31 31 ASN HA H 31 4.470 4.470 4.476 -0.006 18706 1176 1 9 . 1 1 31 31 ASN CA C 31 55.964 55.964 56.466 -0.502 18706 1177 1 9 . 1 1 31 31 ASN CB C 31 37.441 37.441 38.821 -1.380 18706 1178 1 9 . 1 1 31 31 ASN H H 31 8.226 8.226 7.915 0.311 18706 1179 1 9 . 1 1 32 32 ILE N N 32 118.219 118.219 121.089 -2.870 18706 1180 1 9 . 1 1 32 32 ILE HA H 32 3.557 3.557 3.697 -0.140 18706 1181 1 9 . 1 1 32 32 ILE CA C 32 65.529 65.529 65.460 0.069 18706 1182 1 9 . 1 1 32 32 ILE CB C 32 37.736 37.736 38.032 -0.296 18706 1183 1 9 . 1 1 32 32 ILE H H 32 8.055 8.055 8.144 -0.089 18706 1184 1 9 . 1 1 33 33 ILE N N 33 120.114 120.114 119.918 0.196 18706 1185 1 9 . 1 1 33 33 ILE HA H 33 3.590 3.590 3.677 -0.087 18706 1186 1 9 . 1 1 33 33 ILE CA C 33 65.111 65.111 65.631 -0.520 18706 1187 1 9 . 1 1 33 33 ILE CB C 33 35.842 35.842 37.520 -1.678 18706 1188 1 9 . 1 1 33 33 ILE H H 33 8.753 8.753 8.591 0.162 18706 1189 1 9 . 1 1 34 34 GLY N N 34 108.895 108.895 108.454 0.441 18706 1190 1 9 . 1 1 34 34 GLY CA C 34 46.649 46.649 47.227 -0.579 18706 1191 1 9 . 1 1 35 35 ILE N N 35 121.351 121.351 122.938 -1.587 18706 1192 1 9 . 1 1 35 35 ILE HA H 35 3.797 3.797 3.726 0.071 18706 1193 1 9 . 1 1 35 35 ILE CA C 35 65.632 65.632 64.725 0.907 18706 1194 1 9 . 1 1 35 35 ILE CB C 35 37.845 37.845 38.116 -0.271 18706 1195 1 9 . 1 1 35 35 ILE H H 35 7.478 7.478 8.178 -0.700 18706 1196 1 9 . 1 1 36 36 LEU N N 36 119.361 119.361 120.666 -1.305 18706 1197 1 9 . 1 1 36 36 LEU HA H 36 3.870 3.870 3.922 -0.052 18706 1198 1 9 . 1 1 36 36 LEU CA C 36 57.867 57.867 57.877 -0.010 18706 1199 1 9 . 1 1 36 36 LEU CB C 36 42.058 42.058 41.402 0.656 18706 1200 1 9 . 1 1 36 36 LEU H H 36 8.726 8.726 8.226 0.500 18706 1201 1 9 . 1 1 37 37 HIS N N 37 116.547 116.547 118.710 -2.163 18706 1202 1 9 . 1 1 37 37 HIS HA H 37 4.112 4.112 4.241 -0.129 18706 1203 1 9 . 1 1 37 37 HIS CA C 37 57.307 57.307 60.072 -2.765 18706 1204 1 9 . 1 1 37 37 HIS CB C 37 30.893 30.893 29.942 0.951 18706 1205 1 9 . 1 1 37 37 HIS H H 37 9.111 9.111 8.039 1.072 18706 1206 1 9 . 1 1 38 38 LEU N N 38 117.109 117.109 120.179 -3.070 18706 1207 1 9 . 1 1 38 38 LEU HA H 38 3.013 3.013 4.222 -1.209 18706 1208 1 9 . 1 1 38 38 LEU CA C 38 58.434 58.434 58.514 -0.080 18706 1209 1 9 . 1 1 38 38 LEU CB C 38 37.761 37.761 42.000 -4.239 18706 1210 1 9 . 1 1 38 38 LEU H H 38 6.860 6.860 7.723 -0.863 18706 1211 1 9 . 1 1 39 39 ILE N N 39 117.022 117.022 119.739 -2.717 18706 1212 1 9 . 1 1 39 39 ILE HA H 39 3.382 3.382 3.672 -0.290 18706 1213 1 9 . 1 1 39 39 ILE CA C 39 65.812 65.812 65.433 0.379 18706 1214 1 9 . 1 1 39 39 ILE CB C 39 37.562 37.562 37.662 -0.100 18706 1215 1 9 . 1 1 39 39 ILE H H 39 7.626 7.626 7.479 0.147 18706 1216 1 9 . 1 1 40 40 LEU N N 40 116.396 116.396 119.847 -3.451 18706 1217 1 9 . 1 1 40 40 LEU HA H 40 4.012 4.012 4.062 -0.050 18706 1218 1 9 . 1 1 40 40 LEU CA C 40 58.032 58.032 57.636 0.396 18706 1219 1 9 . 1 1 40 40 LEU CB C 40 41.947 41.947 40.757 1.190 18706 1220 1 9 . 1 1 40 40 LEU H H 40 8.827 8.827 7.654 1.173 18706 1221 1 9 . 1 1 41 41 TRP N N 41 119.815 119.815 121.846 -2.031 18706 1222 1 9 . 1 1 41 41 TRP HA H 41 4.343 4.343 4.513 -0.170 18706 1223 1 9 . 1 1 41 41 TRP CA C 41 62.301 62.301 61.425 0.876 18706 1224 1 9 . 1 1 41 41 TRP CB C 41 27.395 27.395 29.529 -2.134 18706 1225 1 9 . 1 1 41 41 TRP H H 41 8.229 8.229 8.665 -0.436 18706 1226 1 9 . 1 1 42 42 ILE N N 42 118.537 118.537 119.635 -1.098 18706 1227 1 9 . 1 1 42 42 ILE HA H 42 3.051 3.051 3.256 -0.205 18706 1228 1 9 . 1 1 42 42 ILE CA C 42 65.166 65.166 65.592 -0.426 18706 1229 1 9 . 1 1 42 42 ILE CB C 42 37.696 37.696 38.019 -0.323 18706 1230 1 9 . 1 1 42 42 ILE H H 42 8.432 8.432 8.846 -0.414 18706 1231 1 9 . 1 1 43 43 LEU N N 43 118.124 118.124 120.179 -2.055 18706 1232 1 9 . 1 1 43 43 LEU HA H 43 4.005 4.005 3.910 0.095 18706 1233 1 9 . 1 1 43 43 LEU CA C 43 58.472 58.472 58.235 0.237 18706 1234 1 9 . 1 1 43 43 LEU CB C 43 41.942 41.942 41.300 0.642 18706 1235 1 9 . 1 1 43 43 LEU H H 43 8.149 8.149 7.632 0.517 18706 1236 1 9 . 1 1 44 44 ASP N N 44 119.401 119.401 118.963 0.438 18706 1237 1 9 . 1 1 44 44 ASP HA H 44 4.580 4.580 4.277 0.303 18706 1238 1 9 . 1 1 44 44 ASP CA C 44 58.165 58.165 57.428 0.737 18706 1239 1 9 . 1 1 44 44 ASP CB C 44 43.647 43.647 39.991 3.656 18706 1240 1 9 . 1 1 44 44 ASP H H 44 8.572 8.572 8.229 0.343 18706 1241 1 9 . 1 1 45 45 ARG N N 45 115.835 115.835 119.586 -3.751 18706 1242 1 9 . 1 1 45 45 ARG HA H 45 3.954 3.954 3.917 0.037 18706 1243 1 9 . 1 1 45 45 ARG CA C 45 56.437 56.437 58.740 -2.303 18706 1244 1 9 . 1 1 45 45 ARG CB C 45 29.411 29.411 29.904 -0.493 18706 1245 1 9 . 1 1 45 45 ARG H H 45 7.962 7.962 7.224 0.738 18706 1246 1 9 . 1 1 46 46 LEU N N 46 114.591 114.591 119.747 -5.156 18706 1247 1 9 . 1 1 46 46 LEU HA H 46 3.952 3.952 3.504 0.448 18706 1248 1 9 . 1 1 46 46 LEU CA C 46 56.521 56.521 57.664 -1.143 18706 1249 1 9 . 1 1 46 46 LEU CB C 46 43.024 43.024 41.859 1.165 18706 1250 1 9 . 1 1 46 46 LEU H H 46 8.047 8.047 7.460 0.587 18706 1251 1 9 . 1 1 47 47 PHE N N 47 112.891 112.891 115.829 -2.938 18706 1252 1 9 . 1 1 47 47 PHE HA H 47 4.618 4.618 4.406 0.212 18706 1253 1 9 . 1 1 47 47 PHE CA C 47 59.065 59.065 56.717 2.348 18706 1254 1 9 . 1 1 47 47 PHE CB C 47 41.119 41.119 37.751 3.368 18706 1255 1 9 . 1 1 47 47 PHE H H 47 8.030 8.030 8.187 -0.157 18706 1256 1 9 . 1 1 48 48 PHE N N 48 118.885 118.885 120.068 -1.183 18706 1257 1 9 . 1 1 48 48 PHE HA H 48 4.893 4.893 4.545 0.348 18706 1258 1 9 . 1 1 48 48 PHE CA C 48 57.576 57.576 56.393 1.183 18706 1259 1 9 . 1 1 48 48 PHE CB C 48 39.388 39.388 37.192 2.196 18706 1260 1 9 . 1 1 48 48 PHE H H 48 8.300 8.300 6.475 1.825 18706 1261 1 10 . 1 1 20 20 ASN N N 20 120.297 120.297 118.744 1.553 18706 1262 1 10 . 1 1 20 20 ASN HA H 20 4.861 4.861 4.432 0.429 18706 1263 1 10 . 1 1 20 20 ASN CA C 20 53.430 53.430 53.119 0.311 18706 1264 1 10 . 1 1 20 20 ASN CB C 20 38.831 38.831 38.373 0.458 18706 1265 1 10 . 1 1 20 20 ASN H H 20 8.313 8.313 8.603 -0.290 18706 1266 1 10 . 1 1 21 21 ASP N N 21 120.233 120.233 118.665 1.568 18706 1267 1 10 . 1 1 21 21 ASP HA H 21 4.756 4.756 4.382 0.374 18706 1268 1 10 . 1 1 21 21 ASP CA C 21 54.305 54.305 55.871 -1.566 18706 1269 1 10 . 1 1 21 21 ASP CB C 21 41.911 41.911 41.040 0.871 18706 1270 1 10 . 1 1 21 21 ASP H H 21 8.280 8.280 8.373 -0.093 18706 1271 1 10 . 1 1 22 22 SER N N 22 115.690 115.690 113.322 2.368 18706 1272 1 10 . 1 1 22 22 SER HA H 22 4.410 4.410 4.313 0.097 18706 1273 1 10 . 1 1 22 22 SER CA C 22 58.393 58.393 59.567 -1.174 18706 1274 1 10 . 1 1 22 22 SER CB C 22 63.850 63.850 63.252 0.598 18706 1275 1 10 . 1 1 22 22 SER H H 22 8.347 8.347 8.060 0.287 18706 1276 1 10 . 1 1 23 23 SER N N 23 115.951 115.951 116.315 -0.364 18706 1277 1 10 . 1 1 23 23 SER HA H 23 4.330 4.330 4.539 -0.209 18706 1278 1 10 . 1 1 23 23 SER CA C 23 58.355 58.355 57.077 1.278 18706 1279 1 10 . 1 1 23 23 SER CB C 23 63.851 63.851 63.458 0.393 18706 1280 1 10 . 1 1 23 23 SER H H 23 8.235 8.235 7.740 0.495 18706 1281 1 10 . 1 1 24 24 ASP N N 24 124.731 124.731 128.253 -3.522 18706 1282 1 10 . 1 1 24 24 ASP HA H 24 4.827 4.827 4.742 0.085 18706 1283 1 10 . 1 1 24 24 ASP CA C 24 52.224 52.224 53.290 -1.066 18706 1284 1 10 . 1 1 24 24 ASP CB C 24 43.514 43.514 42.219 1.294 18706 1285 1 10 . 1 1 24 24 ASP H H 24 7.963 7.963 8.590 -0.627 18706 1286 1 10 . 1 1 25 25 PRO HA H 25 4.129 4.129 4.373 -0.244 18706 1287 1 10 . 1 1 25 25 PRO CA C 25 65.502 65.502 64.596 0.906 18706 1288 1 10 . 1 1 25 25 PRO CB C 25 32.478 32.478 32.244 0.234 18706 1289 1 10 . 1 1 26 26 LEU N N 26 116.951 116.951 121.033 -4.082 18706 1290 1 10 . 1 1 26 26 LEU HA H 26 4.054 4.054 4.061 -0.007 18706 1291 1 10 . 1 1 26 26 LEU CA C 26 57.440 57.440 58.465 -1.025 18706 1292 1 10 . 1 1 26 26 LEU CB C 26 41.242 41.242 41.782 -0.540 18706 1293 1 10 . 1 1 26 26 LEU H H 26 8.240 8.240 9.150 -0.910 18706 1294 1 10 . 1 1 27 27 VAL N N 27 118.624 118.624 117.521 1.103 18706 1295 1 10 . 1 1 27 27 VAL HA H 27 3.447 3.447 3.631 -0.184 18706 1296 1 10 . 1 1 27 27 VAL CA C 27 65.752 65.752 66.319 -0.567 18706 1297 1 10 . 1 1 27 27 VAL CB C 27 25.152 25.152 31.130 -5.978 18706 1298 1 10 . 1 1 27 27 VAL H H 27 7.218 7.218 7.468 -0.250 18706 1299 1 10 . 1 1 28 28 VAL N N 28 118.219 118.219 119.930 -1.711 18706 1300 1 10 . 1 1 28 28 VAL HA H 28 3.501 3.501 3.573 -0.072 18706 1301 1 10 . 1 1 28 28 VAL CA C 28 66.968 66.968 66.865 0.103 18706 1302 1 10 . 1 1 28 28 VAL CB C 28 31.948 31.948 31.367 0.581 18706 1303 1 10 . 1 1 28 28 VAL H H 28 7.866 7.866 7.318 0.548 18706 1304 1 10 . 1 1 29 29 ALA N N 29 117.871 117.871 121.487 -3.616 18706 1305 1 10 . 1 1 29 29 ALA HA H 29 3.859 3.859 4.000 -0.141 18706 1306 1 10 . 1 1 29 29 ALA CA C 29 55.486 55.486 55.217 0.269 18706 1307 1 10 . 1 1 29 29 ALA CB C 29 18.727 18.727 17.988 0.739 18706 1308 1 10 . 1 1 29 29 ALA H H 29 8.348 8.348 8.503 -0.155 18706 1309 1 10 . 1 1 30 30 ALA N N 30 118.323 118.323 121.648 -3.325 18706 1310 1 10 . 1 1 30 30 ALA HA H 30 3.820 3.820 3.913 -0.093 18706 1311 1 10 . 1 1 30 30 ALA CA C 30 55.509 55.509 55.407 0.101 18706 1312 1 10 . 1 1 30 30 ALA CB C 30 18.958 18.958 18.172 0.785 18706 1313 1 10 . 1 1 30 30 ALA H H 30 8.452 8.452 8.365 0.087 18706 1314 1 10 . 1 1 31 31 ASN N N 31 116.443 116.443 117.339 -0.896 18706 1315 1 10 . 1 1 31 31 ASN HA H 31 4.470 4.470 4.475 -0.005 18706 1316 1 10 . 1 1 31 31 ASN CA C 31 55.964 55.964 55.833 0.131 18706 1317 1 10 . 1 1 31 31 ASN CB C 31 37.441 37.441 38.195 -0.754 18706 1318 1 10 . 1 1 31 31 ASN H H 31 8.226 8.226 7.798 0.428 18706 1319 1 10 . 1 1 32 32 ILE N N 32 118.219 118.219 121.394 -3.175 18706 1320 1 10 . 1 1 32 32 ILE HA H 32 3.557 3.557 3.695 -0.138 18706 1321 1 10 . 1 1 32 32 ILE CA C 32 65.529 65.529 65.652 -0.123 18706 1322 1 10 . 1 1 32 32 ILE CB C 32 37.736 37.736 37.933 -0.197 18706 1323 1 10 . 1 1 32 32 ILE H H 32 8.055 8.055 7.818 0.237 18706 1324 1 10 . 1 1 33 33 ILE N N 33 120.114 120.114 119.996 0.118 18706 1325 1 10 . 1 1 33 33 ILE HA H 33 3.590 3.590 3.671 -0.081 18706 1326 1 10 . 1 1 33 33 ILE CA C 33 65.111 65.111 65.667 -0.556 18706 1327 1 10 . 1 1 33 33 ILE CB C 33 35.842 35.842 37.526 -1.684 18706 1328 1 10 . 1 1 33 33 ILE H H 33 8.753 8.753 8.733 0.020 18706 1329 1 10 . 1 1 34 34 GLY N N 34 108.895 108.895 108.361 0.534 18706 1330 1 10 . 1 1 34 34 GLY CA C 34 46.649 46.649 47.253 -0.604 18706 1331 1 10 . 1 1 35 35 ILE N N 35 121.351 121.351 122.904 -1.553 18706 1332 1 10 . 1 1 35 35 ILE HA H 35 3.797 3.797 3.738 0.059 18706 1333 1 10 . 1 1 35 35 ILE CA C 35 65.632 65.632 64.725 0.907 18706 1334 1 10 . 1 1 35 35 ILE CB C 35 37.845 37.845 38.113 -0.268 18706 1335 1 10 . 1 1 35 35 ILE H H 35 7.478 7.478 7.898 -0.420 18706 1336 1 10 . 1 1 36 36 LEU N N 36 119.361 119.361 120.692 -1.331 18706 1337 1 10 . 1 1 36 36 LEU HA H 36 3.870 3.870 3.942 -0.072 18706 1338 1 10 . 1 1 36 36 LEU CA C 36 57.867 57.867 57.860 0.007 18706 1339 1 10 . 1 1 36 36 LEU CB C 36 42.058 42.058 41.474 0.584 18706 1340 1 10 . 1 1 36 36 LEU H H 36 8.726 8.726 8.210 0.516 18706 1341 1 10 . 1 1 37 37 HIS N N 37 116.547 116.547 118.876 -2.329 18706 1342 1 10 . 1 1 37 37 HIS HA H 37 4.112 4.112 4.249 -0.137 18706 1343 1 10 . 1 1 37 37 HIS CA C 37 57.307 57.307 60.255 -2.948 18706 1344 1 10 . 1 1 37 37 HIS CB C 37 30.893 30.893 29.943 0.950 18706 1345 1 10 . 1 1 37 37 HIS H H 37 9.111 9.111 8.118 0.993 18706 1346 1 10 . 1 1 38 38 LEU N N 38 117.109 117.109 120.101 -2.992 18706 1347 1 10 . 1 1 38 38 LEU HA H 38 3.013 3.013 4.256 -1.243 18706 1348 1 10 . 1 1 38 38 LEU CA C 38 58.434 58.434 58.556 -0.122 18706 1349 1 10 . 1 1 38 38 LEU CB C 38 37.761 37.761 42.033 -4.272 18706 1350 1 10 . 1 1 38 38 LEU H H 38 6.860 6.860 7.765 -0.905 18706 1351 1 10 . 1 1 39 39 ILE N N 39 117.022 117.022 119.713 -2.691 18706 1352 1 10 . 1 1 39 39 ILE HA H 39 3.382 3.382 3.685 -0.303 18706 1353 1 10 . 1 1 39 39 ILE CA C 39 65.812 65.812 65.580 0.232 18706 1354 1 10 . 1 1 39 39 ILE CB C 39 37.562 37.562 37.871 -0.309 18706 1355 1 10 . 1 1 39 39 ILE H H 39 7.626 7.626 7.510 0.116 18706 1356 1 10 . 1 1 40 40 LEU N N 40 116.396 116.396 119.767 -3.371 18706 1357 1 10 . 1 1 40 40 LEU HA H 40 4.012 4.012 4.039 -0.027 18706 1358 1 10 . 1 1 40 40 LEU CA C 40 58.032 58.032 57.914 0.118 18706 1359 1 10 . 1 1 40 40 LEU CB C 40 41.947 41.947 41.534 0.413 18706 1360 1 10 . 1 1 40 40 LEU H H 40 8.827 8.827 7.762 1.065 18706 1361 1 10 . 1 1 41 41 TRP N N 41 119.815 119.815 121.562 -1.747 18706 1362 1 10 . 1 1 41 41 TRP HA H 41 4.343 4.343 4.393 -0.050 18706 1363 1 10 . 1 1 41 41 TRP CA C 41 62.301 62.301 61.267 1.034 18706 1364 1 10 . 1 1 41 41 TRP CB C 41 27.395 27.395 29.879 -2.484 18706 1365 1 10 . 1 1 41 41 TRP H H 41 8.229 8.229 8.706 -0.477 18706 1366 1 10 . 1 1 42 42 ILE N N 42 118.537 118.537 119.963 -1.426 18706 1367 1 10 . 1 1 42 42 ILE HA H 42 3.051 3.051 3.215 -0.164 18706 1368 1 10 . 1 1 42 42 ILE CA C 42 65.166 65.166 64.353 0.813 18706 1369 1 10 . 1 1 42 42 ILE CB C 42 37.696 37.696 38.087 -0.391 18706 1370 1 10 . 1 1 42 42 ILE H H 42 8.432 8.432 8.810 -0.378 18706 1371 1 10 . 1 1 43 43 LEU N N 43 118.124 118.124 120.592 -2.468 18706 1372 1 10 . 1 1 43 43 LEU HA H 43 4.005 4.005 3.931 0.074 18706 1373 1 10 . 1 1 43 43 LEU CA C 43 58.472 58.472 58.024 0.448 18706 1374 1 10 . 1 1 43 43 LEU CB C 43 41.942 41.942 41.465 0.477 18706 1375 1 10 . 1 1 43 43 LEU H H 43 8.149 8.149 7.688 0.461 18706 1376 1 10 . 1 1 44 44 ASP N N 44 119.401 119.401 119.018 0.383 18706 1377 1 10 . 1 1 44 44 ASP HA H 44 4.580 4.580 4.458 0.122 18706 1378 1 10 . 1 1 44 44 ASP CA C 44 58.165 58.165 57.455 0.710 18706 1379 1 10 . 1 1 44 44 ASP CB C 44 43.647 43.647 40.207 3.440 18706 1380 1 10 . 1 1 44 44 ASP H H 44 8.572 8.572 7.910 0.662 18706 1381 1 10 . 1 1 45 45 ARG N N 45 115.835 115.835 119.556 -3.721 18706 1382 1 10 . 1 1 45 45 ARG HA H 45 3.954 3.954 4.173 -0.219 18706 1383 1 10 . 1 1 45 45 ARG CA C 45 56.437 56.437 58.131 -1.694 18706 1384 1 10 . 1 1 45 45 ARG CB C 45 29.411 29.411 29.683 -0.272 18706 1385 1 10 . 1 1 45 45 ARG H H 45 7.962 7.962 7.411 0.551 18706 1386 1 10 . 1 1 46 46 LEU N N 46 114.591 114.591 119.136 -4.545 18706 1387 1 10 . 1 1 46 46 LEU HA H 46 3.952 3.952 3.908 0.044 18706 1388 1 10 . 1 1 46 46 LEU CA C 46 56.521 56.521 57.289 -0.768 18706 1389 1 10 . 1 1 46 46 LEU CB C 46 43.024 43.024 41.613 1.411 18706 1390 1 10 . 1 1 46 46 LEU H H 46 8.047 8.047 7.216 0.831 18706 1391 1 10 . 1 1 47 47 PHE N N 47 112.891 112.891 115.682 -2.791 18706 1392 1 10 . 1 1 47 47 PHE HA H 47 4.618 4.618 4.104 0.514 18706 1393 1 10 . 1 1 47 47 PHE CA C 47 59.065 59.065 61.407 -2.342 18706 1394 1 10 . 1 1 47 47 PHE CB C 47 41.119 41.119 39.437 1.682 18706 1395 1 10 . 1 1 47 47 PHE H H 47 8.030 8.030 7.444 0.586 18706 1396 1 10 . 1 1 48 48 PHE N N 48 118.885 118.885 117.813 1.072 18706 1397 1 10 . 1 1 48 48 PHE HA H 48 4.893 4.893 4.711 0.182 18706 1398 1 10 . 1 1 48 48 PHE CA C 48 57.576 57.576 57.116 0.460 18706 1399 1 10 . 1 1 48 48 PHE CB C 48 39.388 39.388 40.170 -0.782 18706 1400 1 10 . 1 1 48 48 PHE H H 48 8.300 8.300 7.698 0.602 18706 1401 1 11 . 1 1 20 20 ASN N N 20 120.297 120.297 120.083 0.214 18706 1402 1 11 . 1 1 20 20 ASN HA H 20 4.861 4.861 4.852 0.009 18706 1403 1 11 . 1 1 20 20 ASN CA C 20 53.430 53.430 53.294 0.136 18706 1404 1 11 . 1 1 20 20 ASN CB C 20 38.831 38.831 38.643 0.188 18706 1405 1 11 . 1 1 20 20 ASN H H 20 8.313 8.313 8.636 -0.323 18706 1406 1 11 . 1 1 21 21 ASP N N 21 120.233 120.233 118.046 2.187 18706 1407 1 11 . 1 1 21 21 ASP HA H 21 4.756 4.756 4.583 0.173 18706 1408 1 11 . 1 1 21 21 ASP CA C 21 54.305 54.305 54.573 -0.268 18706 1409 1 11 . 1 1 21 21 ASP CB C 21 41.911 41.911 39.893 2.018 18706 1410 1 11 . 1 1 21 21 ASP H H 21 8.280 8.280 8.469 -0.189 18706 1411 1 11 . 1 1 22 22 SER N N 22 115.690 115.690 116.402 -0.712 18706 1412 1 11 . 1 1 22 22 SER HA H 22 4.410 4.410 4.279 0.131 18706 1413 1 11 . 1 1 22 22 SER CA C 22 58.393 58.393 59.874 -1.481 18706 1414 1 11 . 1 1 22 22 SER CB C 22 63.850 63.850 63.510 0.340 18706 1415 1 11 . 1 1 22 22 SER H H 22 8.347 8.347 7.847 0.500 18706 1416 1 11 . 1 1 23 23 SER N N 23 115.951 115.951 117.071 -1.120 18706 1417 1 11 . 1 1 23 23 SER HA H 23 4.330 4.330 4.546 -0.216 18706 1418 1 11 . 1 1 23 23 SER CA C 23 58.355 58.355 58.126 0.229 18706 1419 1 11 . 1 1 23 23 SER CB C 23 63.851 63.851 65.993 -2.142 18706 1420 1 11 . 1 1 23 23 SER H H 23 8.235 8.235 7.489 0.746 18706 1421 1 11 . 1 1 24 24 ASP N N 24 124.731 124.731 126.073 -1.342 18706 1422 1 11 . 1 1 24 24 ASP HA H 24 4.827 4.827 4.670 0.157 18706 1423 1 11 . 1 1 24 24 ASP CA C 24 52.224 52.224 53.745 -1.521 18706 1424 1 11 . 1 1 24 24 ASP CB C 24 43.514 43.514 40.834 2.679 18706 1425 1 11 . 1 1 24 24 ASP H H 24 7.963 7.963 8.469 -0.506 18706 1426 1 11 . 1 1 25 25 PRO HA H 25 4.129 4.129 4.164 -0.035 18706 1427 1 11 . 1 1 25 25 PRO CA C 25 65.502 65.502 66.005 -0.504 18706 1428 1 11 . 1 1 25 25 PRO CB C 25 32.478 32.478 31.882 0.596 18706 1429 1 11 . 1 1 26 26 LEU N N 26 116.951 116.951 117.388 -0.437 18706 1430 1 11 . 1 1 26 26 LEU HA H 26 4.054 4.054 4.111 -0.057 18706 1431 1 11 . 1 1 26 26 LEU CA C 26 57.440 57.440 58.189 -0.749 18706 1432 1 11 . 1 1 26 26 LEU CB C 26 41.242 41.242 41.112 0.130 18706 1433 1 11 . 1 1 26 26 LEU H H 26 8.240 8.240 8.210 0.030 18706 1434 1 11 . 1 1 27 27 VAL N N 27 118.624 118.624 118.117 0.507 18706 1435 1 11 . 1 1 27 27 VAL HA H 27 3.447 3.447 3.648 -0.201 18706 1436 1 11 . 1 1 27 27 VAL CA C 27 65.752 65.752 66.074 -0.322 18706 1437 1 11 . 1 1 27 27 VAL CB C 27 25.152 25.152 31.170 -6.018 18706 1438 1 11 . 1 1 27 27 VAL H H 27 7.218 7.218 7.244 -0.026 18706 1439 1 11 . 1 1 28 28 VAL N N 28 118.219 118.219 120.309 -2.090 18706 1440 1 11 . 1 1 28 28 VAL HA H 28 3.501 3.501 3.626 -0.125 18706 1441 1 11 . 1 1 28 28 VAL CA C 28 66.968 66.968 66.552 0.416 18706 1442 1 11 . 1 1 28 28 VAL CB C 28 31.948 31.948 30.873 1.075 18706 1443 1 11 . 1 1 28 28 VAL H H 28 7.866 7.866 8.339 -0.473 18706 1444 1 11 . 1 1 29 29 ALA N N 29 117.871 117.871 121.429 -3.558 18706 1445 1 11 . 1 1 29 29 ALA HA H 29 3.859 3.859 3.963 -0.104 18706 1446 1 11 . 1 1 29 29 ALA CA C 29 55.486 55.486 55.245 0.241 18706 1447 1 11 . 1 1 29 29 ALA CB C 29 18.727 18.727 17.991 0.736 18706 1448 1 11 . 1 1 29 29 ALA H H 29 8.348 8.348 8.399 -0.051 18706 1449 1 11 . 1 1 30 30 ALA N N 30 118.323 118.323 120.473 -2.150 18706 1450 1 11 . 1 1 30 30 ALA HA H 30 3.820 3.820 3.920 -0.100 18706 1451 1 11 . 1 1 30 30 ALA CA C 30 55.509 55.509 55.529 -0.020 18706 1452 1 11 . 1 1 30 30 ALA CB C 30 18.958 18.958 18.049 0.909 18706 1453 1 11 . 1 1 30 30 ALA H H 30 8.452 8.452 8.185 0.267 18706 1454 1 11 . 1 1 31 31 ASN N N 31 116.443 116.443 117.094 -0.651 18706 1455 1 11 . 1 1 31 31 ASN HA H 31 4.470 4.470 4.497 -0.027 18706 1456 1 11 . 1 1 31 31 ASN CA C 31 55.964 55.964 55.988 -0.024 18706 1457 1 11 . 1 1 31 31 ASN CB C 31 37.441 37.441 37.639 -0.198 18706 1458 1 11 . 1 1 31 31 ASN H H 31 8.226 8.226 7.655 0.571 18706 1459 1 11 . 1 1 32 32 ILE N N 32 118.219 118.219 121.184 -2.965 18706 1460 1 11 . 1 1 32 32 ILE HA H 32 3.557 3.557 3.851 -0.294 18706 1461 1 11 . 1 1 32 32 ILE CA C 32 65.529 65.529 63.784 1.745 18706 1462 1 11 . 1 1 32 32 ILE CB C 32 37.736 37.736 36.982 0.754 18706 1463 1 11 . 1 1 32 32 ILE H H 32 8.055 8.055 7.231 0.824 18706 1464 1 11 . 1 1 33 33 ILE N N 33 120.114 120.114 120.274 -0.160 18706 1465 1 11 . 1 1 33 33 ILE HA H 33 3.590 3.590 3.813 -0.223 18706 1466 1 11 . 1 1 33 33 ILE CA C 33 65.111 65.111 63.885 1.226 18706 1467 1 11 . 1 1 33 33 ILE CB C 33 35.842 35.842 36.158 -0.317 18706 1468 1 11 . 1 1 33 33 ILE H H 33 8.753 8.753 8.615 0.138 18706 1469 1 11 . 1 1 34 34 GLY N N 34 108.895 108.895 108.711 0.184 18706 1470 1 11 . 1 1 34 34 GLY CA C 34 46.649 46.649 47.245 -0.596 18706 1471 1 11 . 1 1 35 35 ILE N N 35 121.351 121.351 122.901 -1.550 18706 1472 1 11 . 1 1 35 35 ILE HA H 35 3.797 3.797 3.745 0.052 18706 1473 1 11 . 1 1 35 35 ILE CA C 35 65.632 65.632 64.735 0.897 18706 1474 1 11 . 1 1 35 35 ILE CB C 35 37.845 37.845 38.152 -0.307 18706 1475 1 11 . 1 1 35 35 ILE H H 35 7.478 7.478 8.176 -0.698 18706 1476 1 11 . 1 1 36 36 LEU N N 36 119.361 119.361 120.706 -1.345 18706 1477 1 11 . 1 1 36 36 LEU HA H 36 3.870 3.870 3.941 -0.071 18706 1478 1 11 . 1 1 36 36 LEU CA C 36 57.867 57.867 57.913 -0.046 18706 1479 1 11 . 1 1 36 36 LEU CB C 36 42.058 42.058 41.410 0.648 18706 1480 1 11 . 1 1 36 36 LEU H H 36 8.726 8.726 8.512 0.214 18706 1481 1 11 . 1 1 37 37 HIS N N 37 116.547 116.547 118.675 -2.128 18706 1482 1 11 . 1 1 37 37 HIS HA H 37 4.112 4.112 4.252 -0.140 18706 1483 1 11 . 1 1 37 37 HIS CA C 37 57.307 57.307 60.072 -2.765 18706 1484 1 11 . 1 1 37 37 HIS CB C 37 30.893 30.893 29.943 0.950 18706 1485 1 11 . 1 1 37 37 HIS H H 37 9.111 9.111 8.154 0.957 18706 1486 1 11 . 1 1 38 38 LEU N N 38 117.109 117.109 120.169 -3.060 18706 1487 1 11 . 1 1 38 38 LEU HA H 38 3.013 3.013 4.254 -1.241 18706 1488 1 11 . 1 1 38 38 LEU CA C 38 58.434 58.434 58.556 -0.122 18706 1489 1 11 . 1 1 38 38 LEU CB C 38 37.761 37.761 41.998 -4.237 18706 1490 1 11 . 1 1 38 38 LEU H H 38 6.860 6.860 7.753 -0.893 18706 1491 1 11 . 1 1 39 39 ILE N N 39 117.022 117.022 119.596 -2.574 18706 1492 1 11 . 1 1 39 39 ILE HA H 39 3.382 3.382 3.662 -0.280 18706 1493 1 11 . 1 1 39 39 ILE CA C 39 65.812 65.812 65.579 0.233 18706 1494 1 11 . 1 1 39 39 ILE CB C 39 37.562 37.562 37.785 -0.223 18706 1495 1 11 . 1 1 39 39 ILE H H 39 7.626 7.626 7.489 0.138 18706 1496 1 11 . 1 1 40 40 LEU N N 40 116.396 116.396 119.410 -3.014 18706 1497 1 11 . 1 1 40 40 LEU HA H 40 4.012 4.012 4.001 0.011 18706 1498 1 11 . 1 1 40 40 LEU CA C 40 58.032 58.032 57.793 0.239 18706 1499 1 11 . 1 1 40 40 LEU CB C 40 41.947 41.947 41.603 0.344 18706 1500 1 11 . 1 1 40 40 LEU H H 40 8.827 8.827 7.548 1.279 18706 1501 1 11 . 1 1 41 41 TRP N N 41 119.815 119.815 121.588 -1.773 18706 1502 1 11 . 1 1 41 41 TRP HA H 41 4.343 4.343 4.298 0.045 18706 1503 1 11 . 1 1 41 41 TRP CA C 41 62.301 62.301 61.696 0.605 18706 1504 1 11 . 1 1 41 41 TRP CB C 41 27.395 27.395 29.778 -2.383 18706 1505 1 11 . 1 1 41 41 TRP H H 41 8.229 8.229 8.595 -0.366 18706 1506 1 11 . 1 1 42 42 ILE N N 42 118.537 118.537 119.778 -1.241 18706 1507 1 11 . 1 1 42 42 ILE HA H 42 3.051 3.051 3.268 -0.217 18706 1508 1 11 . 1 1 42 42 ILE CA C 42 65.166 65.166 65.175 -0.009 18706 1509 1 11 . 1 1 42 42 ILE CB C 42 37.696 37.696 37.849 -0.153 18706 1510 1 11 . 1 1 42 42 ILE H H 42 8.432 8.432 8.862 -0.430 18706 1511 1 11 . 1 1 43 43 LEU N N 43 118.124 118.124 120.787 -2.663 18706 1512 1 11 . 1 1 43 43 LEU HA H 43 4.005 4.005 3.966 0.039 18706 1513 1 11 . 1 1 43 43 LEU CA C 43 58.472 58.472 58.216 0.256 18706 1514 1 11 . 1 1 43 43 LEU CB C 43 41.942 41.942 41.474 0.469 18706 1515 1 11 . 1 1 43 43 LEU H H 43 8.149 8.149 7.618 0.531 18706 1516 1 11 . 1 1 44 44 ASP N N 44 119.401 119.401 118.816 0.585 18706 1517 1 11 . 1 1 44 44 ASP HA H 44 4.580 4.580 4.424 0.156 18706 1518 1 11 . 1 1 44 44 ASP CA C 44 58.165 58.165 57.166 0.999 18706 1519 1 11 . 1 1 44 44 ASP CB C 44 43.647 43.647 40.741 2.906 18706 1520 1 11 . 1 1 44 44 ASP H H 44 8.572 8.572 7.864 0.708 18706 1521 1 11 . 1 1 45 45 ARG N N 45 115.835 115.835 119.515 -3.680 18706 1522 1 11 . 1 1 45 45 ARG HA H 45 3.954 3.954 4.114 -0.160 18706 1523 1 11 . 1 1 45 45 ARG CA C 45 56.437 56.437 58.640 -2.203 18706 1524 1 11 . 1 1 45 45 ARG CB C 45 29.411 29.411 29.722 -0.311 18706 1525 1 11 . 1 1 45 45 ARG H H 45 7.962 7.962 7.460 0.502 18706 1526 1 11 . 1 1 46 46 LEU N N 46 114.591 114.591 119.630 -5.039 18706 1527 1 11 . 1 1 46 46 LEU HA H 46 3.952 3.952 3.952 -0.000 18706 1528 1 11 . 1 1 46 46 LEU CA C 46 56.521 56.521 57.666 -1.145 18706 1529 1 11 . 1 1 46 46 LEU CB C 46 43.024 43.024 41.943 1.081 18706 1530 1 11 . 1 1 46 46 LEU H H 46 8.047 8.047 7.636 0.411 18706 1531 1 11 . 1 1 47 47 PHE N N 47 112.891 112.891 114.747 -1.856 18706 1532 1 11 . 1 1 47 47 PHE HA H 47 4.618 4.618 4.207 0.411 18706 1533 1 11 . 1 1 47 47 PHE CA C 47 59.065 59.065 60.097 -1.032 18706 1534 1 11 . 1 1 47 47 PHE CB C 47 41.119 41.119 39.887 1.232 18706 1535 1 11 . 1 1 47 47 PHE H H 47 8.030 8.030 7.692 0.338 18706 1536 1 11 . 1 1 48 48 PHE N N 48 118.885 118.885 118.337 0.548 18706 1537 1 11 . 1 1 48 48 PHE HA H 48 4.893 4.893 4.683 0.210 18706 1538 1 11 . 1 1 48 48 PHE CA C 48 57.576 57.576 56.901 0.675 18706 1539 1 11 . 1 1 48 48 PHE CB C 48 39.388 39.388 40.973 -1.585 18706 1540 1 11 . 1 1 48 48 PHE H H 48 8.300 8.300 7.549 0.751 18706 1541 1 12 . 1 1 20 20 ASN N N 20 120.297 120.297 121.527 -1.230 18706 1542 1 12 . 1 1 20 20 ASN HA H 20 4.861 4.861 4.855 0.006 18706 1543 1 12 . 1 1 20 20 ASN CA C 20 53.430 53.430 53.206 0.224 18706 1544 1 12 . 1 1 20 20 ASN CB C 20 38.831 38.831 39.324 -0.493 18706 1545 1 12 . 1 1 20 20 ASN H H 20 8.313 8.313 8.532 -0.219 18706 1546 1 12 . 1 1 21 21 ASP N N 21 120.233 120.233 121.158 -0.925 18706 1547 1 12 . 1 1 21 21 ASP HA H 21 4.756 4.756 4.736 0.020 18706 1548 1 12 . 1 1 21 21 ASP CA C 21 54.305 54.305 54.250 0.055 18706 1549 1 12 . 1 1 21 21 ASP CB C 21 41.911 41.911 40.570 1.341 18706 1550 1 12 . 1 1 21 21 ASP H H 21 8.280 8.280 8.760 -0.480 18706 1551 1 12 . 1 1 22 22 SER N N 22 115.690 115.690 115.798 -0.108 18706 1552 1 12 . 1 1 22 22 SER HA H 22 4.410 4.410 4.300 0.110 18706 1553 1 12 . 1 1 22 22 SER CA C 22 58.393 58.393 60.407 -2.014 18706 1554 1 12 . 1 1 22 22 SER CB C 22 63.850 63.850 63.419 0.431 18706 1555 1 12 . 1 1 22 22 SER H H 22 8.347 8.347 8.066 0.281 18706 1556 1 12 . 1 1 23 23 SER N N 23 115.951 115.951 115.556 0.395 18706 1557 1 12 . 1 1 23 23 SER HA H 23 4.330 4.330 4.615 -0.285 18706 1558 1 12 . 1 1 23 23 SER CA C 23 58.355 58.355 57.833 0.522 18706 1559 1 12 . 1 1 23 23 SER CB C 23 63.851 63.851 64.723 -0.872 18706 1560 1 12 . 1 1 23 23 SER H H 23 8.235 8.235 7.820 0.415 18706 1561 1 12 . 1 1 24 24 ASP N N 24 124.731 124.731 126.261 -1.530 18706 1562 1 12 . 1 1 24 24 ASP HA H 24 4.827 4.827 4.859 -0.032 18706 1563 1 12 . 1 1 24 24 ASP CA C 24 52.224 52.224 52.592 -0.368 18706 1564 1 12 . 1 1 24 24 ASP CB C 24 43.514 43.514 41.720 1.794 18706 1565 1 12 . 1 1 24 24 ASP H H 24 7.963 7.963 8.308 -0.345 18706 1566 1 12 . 1 1 25 25 PRO HA H 25 4.129 4.129 4.166 -0.037 18706 1567 1 12 . 1 1 25 25 PRO CA C 25 65.502 65.502 65.693 -0.191 18706 1568 1 12 . 1 1 25 25 PRO CB C 25 32.478 32.478 31.810 0.668 18706 1569 1 12 . 1 1 26 26 LEU N N 26 116.951 116.951 117.078 -0.127 18706 1570 1 12 . 1 1 26 26 LEU HA H 26 4.054 4.054 4.110 -0.056 18706 1571 1 12 . 1 1 26 26 LEU CA C 26 57.440 57.440 58.128 -0.688 18706 1572 1 12 . 1 1 26 26 LEU CB C 26 41.242 41.242 41.292 -0.050 18706 1573 1 12 . 1 1 26 26 LEU H H 26 8.240 8.240 8.111 0.129 18706 1574 1 12 . 1 1 27 27 VAL N N 27 118.624 118.624 118.726 -0.102 18706 1575 1 12 . 1 1 27 27 VAL HA H 27 3.447 3.447 3.637 -0.190 18706 1576 1 12 . 1 1 27 27 VAL CA C 27 65.752 65.752 66.428 -0.676 18706 1577 1 12 . 1 1 27 27 VAL CB C 27 25.152 25.152 31.027 -5.875 18706 1578 1 12 . 1 1 27 27 VAL H H 27 7.218 7.218 7.907 -0.689 18706 1579 1 12 . 1 1 28 28 VAL N N 28 118.219 118.219 117.362 0.857 18706 1580 1 12 . 1 1 28 28 VAL HA H 28 3.501 3.501 3.745 -0.244 18706 1581 1 12 . 1 1 28 28 VAL CA C 28 66.968 66.968 66.141 0.827 18706 1582 1 12 . 1 1 28 28 VAL CB C 28 31.948 31.948 30.105 1.843 18706 1583 1 12 . 1 1 28 28 VAL H H 28 7.866 7.866 7.549 0.317 18706 1584 1 12 . 1 1 29 29 ALA N N 29 117.871 117.871 122.897 -5.026 18706 1585 1 12 . 1 1 29 29 ALA HA H 29 3.859 3.859 3.980 -0.121 18706 1586 1 12 . 1 1 29 29 ALA CA C 29 55.486 55.486 55.204 0.282 18706 1587 1 12 . 1 1 29 29 ALA CB C 29 18.727 18.727 18.045 0.682 18706 1588 1 12 . 1 1 29 29 ALA H H 29 8.348 8.348 8.506 -0.158 18706 1589 1 12 . 1 1 30 30 ALA N N 30 118.323 118.323 121.216 -2.893 18706 1590 1 12 . 1 1 30 30 ALA HA H 30 3.820 3.820 3.951 -0.131 18706 1591 1 12 . 1 1 30 30 ALA CA C 30 55.509 55.509 55.312 0.196 18706 1592 1 12 . 1 1 30 30 ALA CB C 30 18.958 18.958 18.229 0.729 18706 1593 1 12 . 1 1 30 30 ALA H H 30 8.452 8.452 8.594 -0.142 18706 1594 1 12 . 1 1 31 31 ASN N N 31 116.443 116.443 117.610 -1.167 18706 1595 1 12 . 1 1 31 31 ASN HA H 31 4.470 4.470 4.470 -0.000 18706 1596 1 12 . 1 1 31 31 ASN CA C 31 55.964 55.964 55.886 0.078 18706 1597 1 12 . 1 1 31 31 ASN CB C 31 37.441 37.441 38.159 -0.718 18706 1598 1 12 . 1 1 31 31 ASN H H 31 8.226 8.226 7.757 0.469 18706 1599 1 12 . 1 1 32 32 ILE N N 32 118.219 118.219 121.265 -3.046 18706 1600 1 12 . 1 1 32 32 ILE HA H 32 3.557 3.557 3.701 -0.144 18706 1601 1 12 . 1 1 32 32 ILE CA C 32 65.529 65.529 65.634 -0.105 18706 1602 1 12 . 1 1 32 32 ILE CB C 32 37.736 37.736 37.935 -0.199 18706 1603 1 12 . 1 1 32 32 ILE H H 32 8.055 8.055 7.851 0.204 18706 1604 1 12 . 1 1 33 33 ILE N N 33 120.114 120.114 119.992 0.122 18706 1605 1 12 . 1 1 33 33 ILE HA H 33 3.590 3.590 3.667 -0.077 18706 1606 1 12 . 1 1 33 33 ILE CA C 33 65.111 65.111 65.647 -0.536 18706 1607 1 12 . 1 1 33 33 ILE CB C 33 35.842 35.842 37.523 -1.681 18706 1608 1 12 . 1 1 33 33 ILE H H 33 8.753 8.753 8.612 0.141 18706 1609 1 12 . 1 1 34 34 GLY N N 34 108.895 108.895 108.343 0.552 18706 1610 1 12 . 1 1 34 34 GLY CA C 34 46.649 46.649 47.246 -0.597 18706 1611 1 12 . 1 1 35 35 ILE N N 35 121.351 121.351 122.900 -1.549 18706 1612 1 12 . 1 1 35 35 ILE HA H 35 3.797 3.797 3.732 0.065 18706 1613 1 12 . 1 1 35 35 ILE CA C 35 65.632 65.632 64.712 0.920 18706 1614 1 12 . 1 1 35 35 ILE CB C 35 37.845 37.845 38.112 -0.267 18706 1615 1 12 . 1 1 35 35 ILE H H 35 7.478 7.478 7.917 -0.439 18706 1616 1 12 . 1 1 36 36 LEU N N 36 119.361 119.361 120.670 -1.309 18706 1617 1 12 . 1 1 36 36 LEU HA H 36 3.870 3.870 3.930 -0.060 18706 1618 1 12 . 1 1 36 36 LEU CA C 36 57.867 57.867 57.856 0.011 18706 1619 1 12 . 1 1 36 36 LEU CB C 36 42.058 42.058 41.441 0.618 18706 1620 1 12 . 1 1 36 36 LEU H H 36 8.726 8.726 8.210 0.516 18706 1621 1 12 . 1 1 37 37 HIS N N 37 116.547 116.547 118.833 -2.286 18706 1622 1 12 . 1 1 37 37 HIS HA H 37 4.112 4.112 4.239 -0.127 18706 1623 1 12 . 1 1 37 37 HIS CA C 37 57.307 57.307 60.200 -2.893 18706 1624 1 12 . 1 1 37 37 HIS CB C 37 30.893 30.893 29.937 0.956 18706 1625 1 12 . 1 1 37 37 HIS H H 37 9.111 9.111 8.054 1.057 18706 1626 1 12 . 1 1 38 38 LEU N N 38 117.109 117.109 120.110 -3.001 18706 1627 1 12 . 1 1 38 38 LEU HA H 38 3.013 3.013 4.253 -1.240 18706 1628 1 12 . 1 1 38 38 LEU CA C 38 58.434 58.434 58.529 -0.095 18706 1629 1 12 . 1 1 38 38 LEU CB C 38 37.761 37.761 42.021 -4.260 18706 1630 1 12 . 1 1 38 38 LEU H H 38 6.860 6.860 7.739 -0.879 18706 1631 1 12 . 1 1 39 39 ILE N N 39 117.022 117.022 119.698 -2.676 18706 1632 1 12 . 1 1 39 39 ILE HA H 39 3.382 3.382 3.674 -0.292 18706 1633 1 12 . 1 1 39 39 ILE CA C 39 65.812 65.812 65.544 0.268 18706 1634 1 12 . 1 1 39 39 ILE CB C 39 37.562 37.562 37.848 -0.286 18706 1635 1 12 . 1 1 39 39 ILE H H 39 7.626 7.626 7.492 0.134 18706 1636 1 12 . 1 1 40 40 LEU N N 40 116.396 116.396 119.620 -3.224 18706 1637 1 12 . 1 1 40 40 LEU HA H 40 4.012 4.012 3.981 0.031 18706 1638 1 12 . 1 1 40 40 LEU CA C 40 58.032 58.032 57.819 0.213 18706 1639 1 12 . 1 1 40 40 LEU CB C 40 41.947 41.947 41.509 0.438 18706 1640 1 12 . 1 1 40 40 LEU H H 40 8.827 8.827 7.673 1.154 18706 1641 1 12 . 1 1 41 41 TRP N N 41 119.815 119.815 121.508 -1.693 18706 1642 1 12 . 1 1 41 41 TRP HA H 41 4.343 4.343 4.354 -0.011 18706 1643 1 12 . 1 1 41 41 TRP CA C 41 62.301 62.301 61.349 0.952 18706 1644 1 12 . 1 1 41 41 TRP CB C 41 27.395 27.395 29.863 -2.468 18706 1645 1 12 . 1 1 41 41 TRP H H 41 8.229 8.229 8.699 -0.470 18706 1646 1 12 . 1 1 42 42 ILE N N 42 118.537 118.537 120.046 -1.509 18706 1647 1 12 . 1 1 42 42 ILE HA H 42 3.051 3.051 3.199 -0.148 18706 1648 1 12 . 1 1 42 42 ILE CA C 42 65.166 65.166 64.481 0.685 18706 1649 1 12 . 1 1 42 42 ILE CB C 42 37.696 37.696 38.065 -0.369 18706 1650 1 12 . 1 1 42 42 ILE H H 42 8.432 8.432 8.873 -0.441 18706 1651 1 12 . 1 1 43 43 LEU N N 43 118.124 118.124 120.873 -2.749 18706 1652 1 12 . 1 1 43 43 LEU HA H 43 4.005 4.005 3.879 0.126 18706 1653 1 12 . 1 1 43 43 LEU CA C 43 58.472 58.472 58.465 0.007 18706 1654 1 12 . 1 1 43 43 LEU CB C 43 41.942 41.942 41.680 0.262 18706 1655 1 12 . 1 1 43 43 LEU H H 43 8.149 8.149 7.590 0.559 18706 1656 1 12 . 1 1 44 44 ASP N N 44 119.401 119.401 119.305 0.096 18706 1657 1 12 . 1 1 44 44 ASP HA H 44 4.580 4.580 4.351 0.229 18706 1658 1 12 . 1 1 44 44 ASP CA C 44 58.165 58.165 57.429 0.736 18706 1659 1 12 . 1 1 44 44 ASP CB C 44 43.647 43.647 40.003 3.644 18706 1660 1 12 . 1 1 44 44 ASP H H 44 8.572 8.572 7.789 0.783 18706 1661 1 12 . 1 1 45 45 ARG N N 45 115.835 115.835 119.667 -3.832 18706 1662 1 12 . 1 1 45 45 ARG HA H 45 3.954 3.954 4.256 -0.302 18706 1663 1 12 . 1 1 45 45 ARG CA C 45 56.437 56.437 58.180 -1.743 18706 1664 1 12 . 1 1 45 45 ARG CB C 45 29.411 29.411 29.709 -0.298 18706 1665 1 12 . 1 1 45 45 ARG H H 45 7.962 7.962 7.309 0.653 18706 1666 1 12 . 1 1 46 46 LEU N N 46 114.591 114.591 119.134 -4.543 18706 1667 1 12 . 1 1 46 46 LEU HA H 46 3.952 3.952 3.976 -0.024 18706 1668 1 12 . 1 1 46 46 LEU CA C 46 56.521 56.521 57.726 -1.205 18706 1669 1 12 . 1 1 46 46 LEU CB C 46 43.024 43.024 42.094 0.930 18706 1670 1 12 . 1 1 46 46 LEU H H 46 8.047 8.047 7.750 0.297 18706 1671 1 12 . 1 1 47 47 PHE N N 47 112.891 112.891 115.646 -2.755 18706 1672 1 12 . 1 1 47 47 PHE HA H 47 4.618 4.618 4.139 0.479 18706 1673 1 12 . 1 1 47 47 PHE CA C 47 59.065 59.065 60.693 -1.628 18706 1674 1 12 . 1 1 47 47 PHE CB C 47 41.119 41.119 39.634 1.485 18706 1675 1 12 . 1 1 47 47 PHE H H 47 8.030 8.030 7.792 0.238 18706 1676 1 12 . 1 1 48 48 PHE N N 48 118.885 118.885 116.863 2.022 18706 1677 1 12 . 1 1 48 48 PHE HA H 48 4.893 4.893 4.737 0.156 18706 1678 1 12 . 1 1 48 48 PHE CA C 48 57.576 57.576 56.686 0.890 18706 1679 1 12 . 1 1 48 48 PHE CB C 48 39.388 39.388 41.806 -2.418 18706 1680 1 12 . 1 1 48 48 PHE H H 48 8.300 8.300 8.410 -0.110 18706 1681 1 13 . 1 1 20 20 ASN N N 20 120.297 120.297 122.248 -1.951 18706 1682 1 13 . 1 1 20 20 ASN HA H 20 4.861 4.861 4.514 0.347 18706 1683 1 13 . 1 1 20 20 ASN CA C 20 53.430 53.430 55.472 -2.042 18706 1684 1 13 . 1 1 20 20 ASN CB C 20 38.831 38.831 38.638 0.194 18706 1685 1 13 . 1 1 20 20 ASN H H 20 8.313 8.313 8.710 -0.397 18706 1686 1 13 . 1 1 21 21 ASP N N 21 120.233 120.233 115.905 4.328 18706 1687 1 13 . 1 1 21 21 ASP HA H 21 4.756 4.756 4.501 0.255 18706 1688 1 13 . 1 1 21 21 ASP CA C 21 54.305 54.305 55.143 -0.838 18706 1689 1 13 . 1 1 21 21 ASP CB C 21 41.911 41.911 39.361 2.550 18706 1690 1 13 . 1 1 21 21 ASP H H 21 8.280 8.280 8.679 -0.399 18706 1691 1 13 . 1 1 22 22 SER N N 22 115.690 115.690 116.457 -0.767 18706 1692 1 13 . 1 1 22 22 SER HA H 22 4.410 4.410 4.226 0.184 18706 1693 1 13 . 1 1 22 22 SER CA C 22 58.393 58.393 60.459 -2.066 18706 1694 1 13 . 1 1 22 22 SER CB C 22 63.850 63.850 63.644 0.206 18706 1695 1 13 . 1 1 22 22 SER H H 22 8.347 8.347 7.740 0.607 18706 1696 1 13 . 1 1 23 23 SER N N 23 115.951 115.951 115.935 0.016 18706 1697 1 13 . 1 1 23 23 SER HA H 23 4.330 4.330 4.612 -0.282 18706 1698 1 13 . 1 1 23 23 SER CA C 23 58.355 58.355 58.127 0.228 18706 1699 1 13 . 1 1 23 23 SER CB C 23 63.851 63.851 65.731 -1.880 18706 1700 1 13 . 1 1 23 23 SER H H 23 8.235 8.235 7.601 0.634 18706 1701 1 13 . 1 1 24 24 ASP N N 24 124.731 124.731 126.095 -1.364 18706 1702 1 13 . 1 1 24 24 ASP HA H 24 4.827 4.827 4.796 0.031 18706 1703 1 13 . 1 1 24 24 ASP CA C 24 52.224 52.224 52.624 -0.400 18706 1704 1 13 . 1 1 24 24 ASP CB C 24 43.514 43.514 41.477 2.038 18706 1705 1 13 . 1 1 24 24 ASP H H 24 7.963 7.963 8.403 -0.440 18706 1706 1 13 . 1 1 25 25 PRO HA H 25 4.129 4.129 4.306 -0.177 18706 1707 1 13 . 1 1 25 25 PRO CA C 25 65.502 65.502 64.987 0.515 18706 1708 1 13 . 1 1 25 25 PRO CB C 25 32.478 32.478 32.059 0.419 18706 1709 1 13 . 1 1 26 26 LEU N N 26 116.951 116.951 119.797 -2.846 18706 1710 1 13 . 1 1 26 26 LEU HA H 26 4.054 4.054 4.135 -0.081 18706 1711 1 13 . 1 1 26 26 LEU CA C 26 57.440 57.440 57.926 -0.486 18706 1712 1 13 . 1 1 26 26 LEU CB C 26 41.242 41.242 41.654 -0.412 18706 1713 1 13 . 1 1 26 26 LEU H H 26 8.240 8.240 8.124 0.116 18706 1714 1 13 . 1 1 27 27 VAL N N 27 118.624 118.624 118.165 0.459 18706 1715 1 13 . 1 1 27 27 VAL HA H 27 3.447 3.447 3.631 -0.184 18706 1716 1 13 . 1 1 27 27 VAL CA C 27 65.752 65.752 66.337 -0.585 18706 1717 1 13 . 1 1 27 27 VAL CB C 27 25.152 25.152 31.202 -6.050 18706 1718 1 13 . 1 1 27 27 VAL H H 27 7.218 7.218 7.472 -0.254 18706 1719 1 13 . 1 1 28 28 VAL N N 28 118.219 118.219 119.990 -1.771 18706 1720 1 13 . 1 1 28 28 VAL HA H 28 3.501 3.501 3.561 -0.060 18706 1721 1 13 . 1 1 28 28 VAL CA C 28 66.968 66.968 66.794 0.174 18706 1722 1 13 . 1 1 28 28 VAL CB C 28 31.948 31.948 31.294 0.654 18706 1723 1 13 . 1 1 28 28 VAL H H 28 7.866 7.866 7.340 0.526 18706 1724 1 13 . 1 1 29 29 ALA N N 29 117.871 117.871 121.652 -3.781 18706 1725 1 13 . 1 1 29 29 ALA HA H 29 3.859 3.859 3.953 -0.094 18706 1726 1 13 . 1 1 29 29 ALA CA C 29 55.486 55.486 55.306 0.180 18706 1727 1 13 . 1 1 29 29 ALA CB C 29 18.727 18.727 17.972 0.755 18706 1728 1 13 . 1 1 29 29 ALA H H 29 8.348 8.348 8.340 0.008 18706 1729 1 13 . 1 1 30 30 ALA N N 30 118.323 118.323 121.113 -2.790 18706 1730 1 13 . 1 1 30 30 ALA HA H 30 3.820 3.820 3.954 -0.134 18706 1731 1 13 . 1 1 30 30 ALA CA C 30 55.509 55.509 55.157 0.352 18706 1732 1 13 . 1 1 30 30 ALA CB C 30 18.958 18.958 18.255 0.703 18706 1733 1 13 . 1 1 30 30 ALA H H 30 8.452 8.452 7.942 0.510 18706 1734 1 13 . 1 1 31 31 ASN N N 31 116.443 116.443 117.560 -1.117 18706 1735 1 13 . 1 1 31 31 ASN HA H 31 4.470 4.470 4.491 -0.021 18706 1736 1 13 . 1 1 31 31 ASN CA C 31 55.964 55.964 55.712 0.252 18706 1737 1 13 . 1 1 31 31 ASN CB C 31 37.441 37.441 38.380 -0.938 18706 1738 1 13 . 1 1 31 31 ASN H H 31 8.226 8.226 7.708 0.518 18706 1739 1 13 . 1 1 32 32 ILE N N 32 118.219 118.219 121.140 -2.921 18706 1740 1 13 . 1 1 32 32 ILE HA H 32 3.557 3.557 3.704 -0.147 18706 1741 1 13 . 1 1 32 32 ILE CA C 32 65.529 65.529 65.516 0.013 18706 1742 1 13 . 1 1 32 32 ILE CB C 32 37.736 37.736 37.924 -0.188 18706 1743 1 13 . 1 1 32 32 ILE H H 32 8.055 8.055 8.123 -0.068 18706 1744 1 13 . 1 1 33 33 ILE N N 33 120.114 120.114 119.965 0.149 18706 1745 1 13 . 1 1 33 33 ILE HA H 33 3.590 3.590 3.759 -0.169 18706 1746 1 13 . 1 1 33 33 ILE CA C 33 65.111 65.111 64.778 0.333 18706 1747 1 13 . 1 1 33 33 ILE CB C 33 35.842 35.842 36.646 -0.804 18706 1748 1 13 . 1 1 33 33 ILE H H 33 8.753 8.753 8.502 0.251 18706 1749 1 13 . 1 1 34 34 GLY N N 34 108.895 108.895 108.545 0.350 18706 1750 1 13 . 1 1 34 34 GLY CA C 34 46.649 46.649 47.252 -0.603 18706 1751 1 13 . 1 1 35 35 ILE N N 35 121.351 121.351 122.963 -1.612 18706 1752 1 13 . 1 1 35 35 ILE HA H 35 3.797 3.797 3.734 0.063 18706 1753 1 13 . 1 1 35 35 ILE CA C 35 65.632 65.632 64.757 0.875 18706 1754 1 13 . 1 1 35 35 ILE CB C 35 37.845 37.845 38.131 -0.286 18706 1755 1 13 . 1 1 35 35 ILE H H 35 7.478 7.478 7.967 -0.489 18706 1756 1 13 . 1 1 36 36 LEU N N 36 119.361 119.361 120.646 -1.285 18706 1757 1 13 . 1 1 36 36 LEU HA H 36 3.870 3.870 3.947 -0.077 18706 1758 1 13 . 1 1 36 36 LEU CA C 36 57.867 57.867 57.838 0.029 18706 1759 1 13 . 1 1 36 36 LEU CB C 36 42.058 42.058 41.459 0.599 18706 1760 1 13 . 1 1 36 36 LEU H H 36 8.726 8.726 8.356 0.370 18706 1761 1 13 . 1 1 37 37 HIS N N 37 116.547 116.547 118.872 -2.325 18706 1762 1 13 . 1 1 37 37 HIS HA H 37 4.112 4.112 4.249 -0.137 18706 1763 1 13 . 1 1 37 37 HIS CA C 37 57.307 57.307 60.220 -2.913 18706 1764 1 13 . 1 1 37 37 HIS CB C 37 30.893 30.893 29.941 0.952 18706 1765 1 13 . 1 1 37 37 HIS H H 37 9.111 9.111 8.056 1.055 18706 1766 1 13 . 1 1 38 38 LEU N N 38 117.109 117.109 120.021 -2.912 18706 1767 1 13 . 1 1 38 38 LEU HA H 38 3.013 3.013 4.266 -1.253 18706 1768 1 13 . 1 1 38 38 LEU CA C 38 58.434 58.434 58.500 -0.066 18706 1769 1 13 . 1 1 38 38 LEU CB C 38 37.761 37.761 42.037 -4.276 18706 1770 1 13 . 1 1 38 38 LEU H H 38 6.860 6.860 7.770 -0.910 18706 1771 1 13 . 1 1 39 39 ILE N N 39 117.022 117.022 119.625 -2.603 18706 1772 1 13 . 1 1 39 39 ILE HA H 39 3.382 3.382 3.701 -0.319 18706 1773 1 13 . 1 1 39 39 ILE CA C 39 65.812 65.812 65.346 0.466 18706 1774 1 13 . 1 1 39 39 ILE CB C 39 37.562 37.562 37.873 -0.312 18706 1775 1 13 . 1 1 39 39 ILE H H 39 7.626 7.626 7.524 0.102 18706 1776 1 13 . 1 1 40 40 LEU N N 40 116.396 116.396 120.735 -4.339 18706 1777 1 13 . 1 1 40 40 LEU HA H 40 4.012 4.012 4.118 -0.106 18706 1778 1 13 . 1 1 40 40 LEU CA C 40 58.032 58.032 57.958 0.074 18706 1779 1 13 . 1 1 40 40 LEU CB C 40 41.947 41.947 41.772 0.175 18706 1780 1 13 . 1 1 40 40 LEU H H 40 8.827 8.827 7.792 1.035 18706 1781 1 13 . 1 1 41 41 TRP N N 41 119.815 119.815 121.043 -1.228 18706 1782 1 13 . 1 1 41 41 TRP HA H 41 4.343 4.343 4.286 0.057 18706 1783 1 13 . 1 1 41 41 TRP CA C 41 62.301 62.301 61.660 0.641 18706 1784 1 13 . 1 1 41 41 TRP CB C 41 27.395 27.395 29.747 -2.352 18706 1785 1 13 . 1 1 41 41 TRP H H 41 8.229 8.229 8.581 -0.352 18706 1786 1 13 . 1 1 42 42 ILE N N 42 118.537 118.537 119.712 -1.175 18706 1787 1 13 . 1 1 42 42 ILE HA H 42 3.051 3.051 3.153 -0.102 18706 1788 1 13 . 1 1 42 42 ILE CA C 42 65.166 65.166 64.268 0.898 18706 1789 1 13 . 1 1 42 42 ILE CB C 42 37.696 37.696 38.012 -0.316 18706 1790 1 13 . 1 1 42 42 ILE H H 42 8.432 8.432 8.674 -0.242 18706 1791 1 13 . 1 1 43 43 LEU N N 43 118.124 118.124 120.903 -2.779 18706 1792 1 13 . 1 1 43 43 LEU HA H 43 4.005 4.005 3.862 0.143 18706 1793 1 13 . 1 1 43 43 LEU CA C 43 58.472 58.472 57.926 0.546 18706 1794 1 13 . 1 1 43 43 LEU CB C 43 41.942 41.942 41.346 0.596 18706 1795 1 13 . 1 1 43 43 LEU H H 43 8.149 8.149 7.576 0.573 18706 1796 1 13 . 1 1 44 44 ASP N N 44 119.401 119.401 119.057 0.344 18706 1797 1 13 . 1 1 44 44 ASP HA H 44 4.580 4.580 4.431 0.149 18706 1798 1 13 . 1 1 44 44 ASP CA C 44 58.165 58.165 57.282 0.883 18706 1799 1 13 . 1 1 44 44 ASP CB C 44 43.647 43.647 40.685 2.962 18706 1800 1 13 . 1 1 44 44 ASP H H 44 8.572 8.572 8.021 0.551 18706 1801 1 13 . 1 1 45 45 ARG N N 45 115.835 115.835 117.975 -2.140 18706 1802 1 13 . 1 1 45 45 ARG HA H 45 3.954 3.954 4.232 -0.278 18706 1803 1 13 . 1 1 45 45 ARG CA C 45 56.437 56.437 56.970 -0.533 18706 1804 1 13 . 1 1 45 45 ARG CB C 45 29.411 29.411 29.352 0.059 18706 1805 1 13 . 1 1 45 45 ARG H H 45 7.962 7.962 7.416 0.546 18706 1806 1 13 . 1 1 46 46 LEU N N 46 114.591 114.591 119.237 -4.646 18706 1807 1 13 . 1 1 46 46 LEU HA H 46 3.952 3.952 3.830 0.122 18706 1808 1 13 . 1 1 46 46 LEU CA C 46 56.521 56.521 57.077 -0.556 18706 1809 1 13 . 1 1 46 46 LEU CB C 46 43.024 43.024 41.685 1.339 18706 1810 1 13 . 1 1 46 46 LEU H H 46 8.047 8.047 7.342 0.705 18706 1811 1 13 . 1 1 47 47 PHE N N 47 112.891 112.891 116.835 -3.944 18706 1812 1 13 . 1 1 47 47 PHE HA H 47 4.618 4.618 3.954 0.664 18706 1813 1 13 . 1 1 47 47 PHE CA C 47 59.065 59.065 61.455 -2.390 18706 1814 1 13 . 1 1 47 47 PHE CB C 47 41.119 41.119 39.610 1.509 18706 1815 1 13 . 1 1 47 47 PHE H H 47 8.030 8.030 7.339 0.691 18706 1816 1 13 . 1 1 48 48 PHE N N 48 118.885 118.885 113.511 5.374 18706 1817 1 13 . 1 1 48 48 PHE HA H 48 4.893 4.893 4.724 0.169 18706 1818 1 13 . 1 1 48 48 PHE CA C 48 57.576 57.576 57.564 0.012 18706 1819 1 13 . 1 1 48 48 PHE CB C 48 39.388 39.388 42.120 -2.732 18706 1820 1 13 . 1 1 48 48 PHE H H 48 8.300 8.300 7.763 0.537 18706 1821 1 14 . 1 1 20 20 ASN N N 20 120.297 120.297 120.784 -0.487 18706 1822 1 14 . 1 1 20 20 ASN HA H 20 4.861 4.861 4.573 0.288 18706 1823 1 14 . 1 1 20 20 ASN CA C 20 53.430 53.430 55.243 -1.813 18706 1824 1 14 . 1 1 20 20 ASN CB C 20 38.831 38.831 37.882 0.949 18706 1825 1 14 . 1 1 20 20 ASN H H 20 8.313 8.313 8.567 -0.254 18706 1826 1 14 . 1 1 21 21 ASP N N 21 120.233 120.233 118.272 1.961 18706 1827 1 14 . 1 1 21 21 ASP HA H 21 4.756 4.756 4.511 0.245 18706 1828 1 14 . 1 1 21 21 ASP CA C 21 54.305 54.305 55.989 -1.684 18706 1829 1 14 . 1 1 21 21 ASP CB C 21 41.911 41.911 40.536 1.375 18706 1830 1 14 . 1 1 21 21 ASP H H 21 8.280 8.280 8.438 -0.158 18706 1831 1 14 . 1 1 22 22 SER N N 22 115.690 115.690 113.555 2.135 18706 1832 1 14 . 1 1 22 22 SER HA H 22 4.410 4.410 4.249 0.161 18706 1833 1 14 . 1 1 22 22 SER CA C 22 58.393 58.393 60.722 -2.329 18706 1834 1 14 . 1 1 22 22 SER CB C 22 63.850 63.850 63.344 0.506 18706 1835 1 14 . 1 1 22 22 SER H H 22 8.347 8.347 7.984 0.363 18706 1836 1 14 . 1 1 23 23 SER N N 23 115.951 115.951 117.165 -1.214 18706 1837 1 14 . 1 1 23 23 SER HA H 23 4.330 4.330 4.375 -0.045 18706 1838 1 14 . 1 1 23 23 SER CA C 23 58.355 58.355 58.124 0.231 18706 1839 1 14 . 1 1 23 23 SER CB C 23 63.851 63.851 63.047 0.804 18706 1840 1 14 . 1 1 23 23 SER H H 23 8.235 8.235 7.666 0.569 18706 1841 1 14 . 1 1 24 24 ASP N N 24 124.731 124.731 128.149 -3.418 18706 1842 1 14 . 1 1 24 24 ASP HA H 24 4.827 4.827 4.867 -0.040 18706 1843 1 14 . 1 1 24 24 ASP CA C 24 52.224 52.224 53.371 -1.147 18706 1844 1 14 . 1 1 24 24 ASP CB C 24 43.514 43.514 41.625 1.889 18706 1845 1 14 . 1 1 24 24 ASP H H 24 7.963 7.963 7.806 0.157 18706 1846 1 14 . 1 1 25 25 PRO HA H 25 4.129 4.129 4.333 -0.204 18706 1847 1 14 . 1 1 25 25 PRO CA C 25 65.502 65.502 65.165 0.337 18706 1848 1 14 . 1 1 25 25 PRO CB C 25 32.478 32.478 32.037 0.441 18706 1849 1 14 . 1 1 26 26 LEU N N 26 116.951 116.951 119.687 -2.736 18706 1850 1 14 . 1 1 26 26 LEU HA H 26 4.054 4.054 4.141 -0.087 18706 1851 1 14 . 1 1 26 26 LEU CA C 26 57.440 57.440 58.111 -0.671 18706 1852 1 14 . 1 1 26 26 LEU CB C 26 41.242 41.242 41.097 0.145 18706 1853 1 14 . 1 1 26 26 LEU H H 26 8.240 8.240 8.229 0.011 18706 1854 1 14 . 1 1 27 27 VAL N N 27 118.624 118.624 118.565 0.059 18706 1855 1 14 . 1 1 27 27 VAL HA H 27 3.447 3.447 3.698 -0.251 18706 1856 1 14 . 1 1 27 27 VAL CA C 27 65.752 65.752 66.406 -0.654 18706 1857 1 14 . 1 1 27 27 VAL CB C 27 25.152 25.152 31.386 -6.234 18706 1858 1 14 . 1 1 27 27 VAL H H 27 7.218 7.218 7.575 -0.357 18706 1859 1 14 . 1 1 28 28 VAL N N 28 118.219 118.219 120.466 -2.247 18706 1860 1 14 . 1 1 28 28 VAL HA H 28 3.501 3.501 3.675 -0.174 18706 1861 1 14 . 1 1 28 28 VAL CA C 28 66.968 66.968 66.275 0.693 18706 1862 1 14 . 1 1 28 28 VAL CB C 28 31.948 31.948 30.922 1.026 18706 1863 1 14 . 1 1 28 28 VAL H H 28 7.866 7.866 7.386 0.479 18706 1864 1 14 . 1 1 29 29 ALA N N 29 117.871 117.871 122.117 -4.246 18706 1865 1 14 . 1 1 29 29 ALA HA H 29 3.859 3.859 3.943 -0.084 18706 1866 1 14 . 1 1 29 29 ALA CA C 29 55.486 55.486 55.514 -0.028 18706 1867 1 14 . 1 1 29 29 ALA CB C 29 18.727 18.727 17.909 0.818 18706 1868 1 14 . 1 1 29 29 ALA H H 29 8.348 8.348 8.569 -0.221 18706 1869 1 14 . 1 1 30 30 ALA N N 30 118.323 118.323 120.310 -1.987 18706 1870 1 14 . 1 1 30 30 ALA HA H 30 3.820 3.820 3.956 -0.136 18706 1871 1 14 . 1 1 30 30 ALA CA C 30 55.509 55.509 55.129 0.380 18706 1872 1 14 . 1 1 30 30 ALA CB C 30 18.958 18.958 18.306 0.652 18706 1873 1 14 . 1 1 30 30 ALA H H 30 8.452 8.452 7.969 0.483 18706 1874 1 14 . 1 1 31 31 ASN N N 31 116.443 116.443 118.039 -1.596 18706 1875 1 14 . 1 1 31 31 ASN HA H 31 4.470 4.470 4.413 0.057 18706 1876 1 14 . 1 1 31 31 ASN CA C 31 55.964 55.964 56.427 -0.463 18706 1877 1 14 . 1 1 31 31 ASN CB C 31 37.441 37.441 38.575 -1.134 18706 1878 1 14 . 1 1 31 31 ASN H H 31 8.226 8.226 7.929 0.297 18706 1879 1 14 . 1 1 32 32 ILE N N 32 118.219 118.219 121.119 -2.900 18706 1880 1 14 . 1 1 32 32 ILE HA H 32 3.557 3.557 3.653 -0.096 18706 1881 1 14 . 1 1 32 32 ILE CA C 32 65.529 65.529 65.680 -0.151 18706 1882 1 14 . 1 1 32 32 ILE CB C 32 37.736 37.736 37.928 -0.193 18706 1883 1 14 . 1 1 32 32 ILE H H 32 8.055 8.055 8.487 -0.432 18706 1884 1 14 . 1 1 33 33 ILE N N 33 120.114 120.114 119.839 0.275 18706 1885 1 14 . 1 1 33 33 ILE HA H 33 3.590 3.590 3.661 -0.071 18706 1886 1 14 . 1 1 33 33 ILE CA C 33 65.111 65.111 65.674 -0.563 18706 1887 1 14 . 1 1 33 33 ILE CB C 33 35.842 35.842 37.453 -1.611 18706 1888 1 14 . 1 1 33 33 ILE H H 33 8.753 8.753 8.283 0.470 18706 1889 1 14 . 1 1 34 34 GLY N N 34 108.895 108.895 108.802 0.093 18706 1890 1 14 . 1 1 34 34 GLY CA C 34 46.649 46.649 47.461 -0.812 18706 1891 1 14 . 1 1 35 35 ILE N N 35 121.351 121.351 122.655 -1.304 18706 1892 1 14 . 1 1 35 35 ILE HA H 35 3.797 3.797 3.887 -0.090 18706 1893 1 14 . 1 1 35 35 ILE CA C 35 65.632 65.632 62.726 2.906 18706 1894 1 14 . 1 1 35 35 ILE CB C 35 37.845 37.845 36.973 0.872 18706 1895 1 14 . 1 1 35 35 ILE H H 35 7.478 7.478 7.570 -0.092 18706 1896 1 14 . 1 1 36 36 LEU N N 36 119.361 119.361 120.111 -0.750 18706 1897 1 14 . 1 1 36 36 LEU HA H 36 3.870 3.870 3.856 0.014 18706 1898 1 14 . 1 1 36 36 LEU CA C 36 57.867 57.867 58.424 -0.557 18706 1899 1 14 . 1 1 36 36 LEU CB C 36 42.058 42.058 41.338 0.720 18706 1900 1 14 . 1 1 36 36 LEU H H 36 8.726 8.726 7.999 0.727 18706 1901 1 14 . 1 1 37 37 HIS N N 37 116.547 116.547 118.805 -2.258 18706 1902 1 14 . 1 1 37 37 HIS HA H 37 4.112 4.112 4.263 -0.151 18706 1903 1 14 . 1 1 37 37 HIS CA C 37 57.307 57.307 60.110 -2.803 18706 1904 1 14 . 1 1 37 37 HIS CB C 37 30.893 30.893 30.155 0.738 18706 1905 1 14 . 1 1 37 37 HIS H H 37 9.111 9.111 8.544 0.567 18706 1906 1 14 . 1 1 38 38 LEU N N 38 117.109 117.109 120.365 -3.256 18706 1907 1 14 . 1 1 38 38 LEU HA H 38 3.013 3.013 4.200 -1.187 18706 1908 1 14 . 1 1 38 38 LEU CA C 38 58.434 58.434 58.369 0.065 18706 1909 1 14 . 1 1 38 38 LEU CB C 38 37.761 37.761 42.090 -4.329 18706 1910 1 14 . 1 1 38 38 LEU H H 38 6.860 6.860 8.029 -1.169 18706 1911 1 14 . 1 1 39 39 ILE N N 39 117.022 117.022 119.718 -2.696 18706 1912 1 14 . 1 1 39 39 ILE HA H 39 3.382 3.382 3.647 -0.265 18706 1913 1 14 . 1 1 39 39 ILE CA C 39 65.812 65.812 65.687 0.125 18706 1914 1 14 . 1 1 39 39 ILE CB C 39 37.562 37.562 37.846 -0.284 18706 1915 1 14 . 1 1 39 39 ILE H H 39 7.626 7.626 7.674 -0.048 18706 1916 1 14 . 1 1 40 40 LEU N N 40 116.396 116.396 119.650 -3.254 18706 1917 1 14 . 1 1 40 40 LEU HA H 40 4.012 4.012 3.977 0.035 18706 1918 1 14 . 1 1 40 40 LEU CA C 40 58.032 58.032 57.947 0.085 18706 1919 1 14 . 1 1 40 40 LEU CB C 40 41.947 41.947 41.714 0.233 18706 1920 1 14 . 1 1 40 40 LEU H H 40 8.827 8.827 7.605 1.222 18706 1921 1 14 . 1 1 41 41 TRP N N 41 119.815 119.815 121.047 -1.232 18706 1922 1 14 . 1 1 41 41 TRP HA H 41 4.343 4.343 4.323 0.020 18706 1923 1 14 . 1 1 41 41 TRP CA C 41 62.301 62.301 61.421 0.880 18706 1924 1 14 . 1 1 41 41 TRP CB C 41 27.395 27.395 29.875 -2.480 18706 1925 1 14 . 1 1 41 41 TRP H H 41 8.229 8.229 8.436 -0.207 18706 1926 1 14 . 1 1 42 42 ILE N N 42 118.537 118.537 119.980 -1.443 18706 1927 1 14 . 1 1 42 42 ILE HA H 42 3.051 3.051 3.479 -0.428 18706 1928 1 14 . 1 1 42 42 ILE CA C 42 65.166 65.166 65.193 -0.027 18706 1929 1 14 . 1 1 42 42 ILE CB C 42 37.696 37.696 37.440 0.256 18706 1930 1 14 . 1 1 42 42 ILE H H 42 8.432 8.432 8.769 -0.337 18706 1931 1 14 . 1 1 43 43 LEU N N 43 118.124 118.124 120.123 -1.999 18706 1932 1 14 . 1 1 43 43 LEU HA H 43 4.005 4.005 3.850 0.155 18706 1933 1 14 . 1 1 43 43 LEU CA C 43 58.472 58.472 57.965 0.507 18706 1934 1 14 . 1 1 43 43 LEU CB C 43 41.942 41.942 40.455 1.487 18706 1935 1 14 . 1 1 43 43 LEU H H 43 8.149 8.149 7.707 0.442 18706 1936 1 14 . 1 1 44 44 ASP N N 44 119.401 119.401 119.602 -0.201 18706 1937 1 14 . 1 1 44 44 ASP HA H 44 4.580 4.580 4.300 0.280 18706 1938 1 14 . 1 1 44 44 ASP CA C 44 58.165 58.165 57.523 0.642 18706 1939 1 14 . 1 1 44 44 ASP CB C 44 43.647 43.647 40.583 3.064 18706 1940 1 14 . 1 1 44 44 ASP H H 44 8.572 8.572 7.751 0.821 18706 1941 1 14 . 1 1 45 45 ARG N N 45 115.835 115.835 119.139 -3.304 18706 1942 1 14 . 1 1 45 45 ARG HA H 45 3.954 3.954 4.058 -0.104 18706 1943 1 14 . 1 1 45 45 ARG CA C 45 56.437 56.437 58.893 -2.456 18706 1944 1 14 . 1 1 45 45 ARG CB C 45 29.411 29.411 29.857 -0.446 18706 1945 1 14 . 1 1 45 45 ARG H H 45 7.962 7.962 7.179 0.782 18706 1946 1 14 . 1 1 46 46 LEU N N 46 114.591 114.591 118.715 -4.124 18706 1947 1 14 . 1 1 46 46 LEU HA H 46 3.952 3.952 3.858 0.094 18706 1948 1 14 . 1 1 46 46 LEU CA C 46 56.521 56.521 57.000 -0.479 18706 1949 1 14 . 1 1 46 46 LEU CB C 46 43.024 43.024 41.585 1.439 18706 1950 1 14 . 1 1 46 46 LEU H H 46 8.047 8.047 7.084 0.963 18706 1951 1 14 . 1 1 47 47 PHE N N 47 112.891 112.891 116.541 -3.650 18706 1952 1 14 . 1 1 47 47 PHE HA H 47 4.618 4.618 3.855 0.763 18706 1953 1 14 . 1 1 47 47 PHE CA C 47 59.065 59.065 61.140 -2.075 18706 1954 1 14 . 1 1 47 47 PHE CB C 47 41.119 41.119 38.694 2.425 18706 1955 1 14 . 1 1 47 47 PHE H H 47 8.030 8.030 7.416 0.614 18706 1956 1 14 . 1 1 48 48 PHE N N 48 118.885 118.885 115.500 3.385 18706 1957 1 14 . 1 1 48 48 PHE HA H 48 4.893 4.893 4.808 0.085 18706 1958 1 14 . 1 1 48 48 PHE CA C 48 57.576 57.576 55.454 2.122 18706 1959 1 14 . 1 1 48 48 PHE CB C 48 39.388 39.388 40.887 -1.499 18706 1960 1 14 . 1 1 48 48 PHE H H 48 8.300 8.300 7.425 0.875 18706 1961 1 15 . 1 1 20 20 ASN N N 20 120.297 120.297 120.540 -0.243 18706 1962 1 15 . 1 1 20 20 ASN HA H 20 4.861 4.861 4.531 0.330 18706 1963 1 15 . 1 1 20 20 ASN CA C 20 53.430 53.430 55.413 -1.983 18706 1964 1 15 . 1 1 20 20 ASN CB C 20 38.831 38.831 38.040 0.791 18706 1965 1 15 . 1 1 20 20 ASN H H 20 8.313 8.313 8.538 -0.225 18706 1966 1 15 . 1 1 21 21 ASP N N 21 120.233 120.233 118.829 1.404 18706 1967 1 15 . 1 1 21 21 ASP HA H 21 4.756 4.756 4.526 0.230 18706 1968 1 15 . 1 1 21 21 ASP CA C 21 54.305 54.305 56.230 -1.925 18706 1969 1 15 . 1 1 21 21 ASP CB C 21 41.911 41.911 40.139 1.772 18706 1970 1 15 . 1 1 21 21 ASP H H 21 8.280 8.280 8.561 -0.281 18706 1971 1 15 . 1 1 22 22 SER N N 22 115.690 115.690 111.436 4.254 18706 1972 1 15 . 1 1 22 22 SER HA H 22 4.410 4.410 4.269 0.141 18706 1973 1 15 . 1 1 22 22 SER CA C 22 58.393 58.393 59.844 -1.451 18706 1974 1 15 . 1 1 22 22 SER CB C 22 63.850 63.850 63.278 0.572 18706 1975 1 15 . 1 1 22 22 SER H H 22 8.347 8.347 7.872 0.475 18706 1976 1 15 . 1 1 23 23 SER N N 23 115.951 115.951 117.882 -1.931 18706 1977 1 15 . 1 1 23 23 SER HA H 23 4.330 4.330 4.391 -0.061 18706 1978 1 15 . 1 1 23 23 SER CA C 23 58.355 58.355 59.271 -0.916 18706 1979 1 15 . 1 1 23 23 SER CB C 23 63.851 63.851 64.335 -0.484 18706 1980 1 15 . 1 1 23 23 SER H H 23 8.235 8.235 7.561 0.674 18706 1981 1 15 . 1 1 24 24 ASP N N 24 124.731 124.731 122.292 2.439 18706 1982 1 15 . 1 1 24 24 ASP HA H 24 4.827 4.827 4.997 -0.170 18706 1983 1 15 . 1 1 24 24 ASP CA C 24 52.224 52.224 51.944 0.280 18706 1984 1 15 . 1 1 24 24 ASP CB C 24 43.514 43.514 40.811 2.703 18706 1985 1 15 . 1 1 24 24 ASP H H 24 7.963 7.963 8.276 -0.313 18706 1986 1 15 . 1 1 25 25 PRO HA H 25 4.129 4.129 4.192 -0.063 18706 1987 1 15 . 1 1 25 25 PRO CA C 25 65.502 65.502 65.424 0.078 18706 1988 1 15 . 1 1 25 25 PRO CB C 25 32.478 32.478 32.049 0.429 18706 1989 1 15 . 1 1 26 26 LEU N N 26 116.951 116.951 117.061 -0.110 18706 1990 1 15 . 1 1 26 26 LEU HA H 26 4.054 4.054 4.114 -0.060 18706 1991 1 15 . 1 1 26 26 LEU CA C 26 57.440 57.440 58.194 -0.755 18706 1992 1 15 . 1 1 26 26 LEU CB C 26 41.242 41.242 41.217 0.025 18706 1993 1 15 . 1 1 26 26 LEU H H 26 8.240 8.240 8.225 0.015 18706 1994 1 15 . 1 1 27 27 VAL N N 27 118.624 118.624 118.830 -0.206 18706 1995 1 15 . 1 1 27 27 VAL HA H 27 3.447 3.447 3.649 -0.202 18706 1996 1 15 . 1 1 27 27 VAL CA C 27 65.752 65.752 66.394 -0.642 18706 1997 1 15 . 1 1 27 27 VAL CB C 27 25.152 25.152 31.164 -6.012 18706 1998 1 15 . 1 1 27 27 VAL H H 27 7.218 7.218 7.482 -0.264 18706 1999 1 15 . 1 1 28 28 VAL N N 28 118.219 118.219 116.693 1.526 18706 2000 1 15 . 1 1 28 28 VAL HA H 28 3.501 3.501 3.692 -0.191 18706 2001 1 15 . 1 1 28 28 VAL CA C 28 66.968 66.968 66.428 0.540 18706 2002 1 15 . 1 1 28 28 VAL CB C 28 31.948 31.948 31.043 0.905 18706 2003 1 15 . 1 1 28 28 VAL H H 28 7.866 7.866 7.667 0.199 18706 2004 1 15 . 1 1 29 29 ALA N N 29 117.871 117.871 122.078 -4.207 18706 2005 1 15 . 1 1 29 29 ALA HA H 29 3.859 3.859 3.991 -0.132 18706 2006 1 15 . 1 1 29 29 ALA CA C 29 55.486 55.486 55.122 0.364 18706 2007 1 15 . 1 1 29 29 ALA CB C 29 18.727 18.727 18.000 0.727 18706 2008 1 15 . 1 1 29 29 ALA H H 29 8.348 8.348 8.544 -0.196 18706 2009 1 15 . 1 1 30 30 ALA N N 30 118.323 118.323 121.401 -3.078 18706 2010 1 15 . 1 1 30 30 ALA HA H 30 3.820 3.820 3.921 -0.101 18706 2011 1 15 . 1 1 30 30 ALA CA C 30 55.509 55.509 55.266 0.243 18706 2012 1 15 . 1 1 30 30 ALA CB C 30 18.958 18.958 18.081 0.877 18706 2013 1 15 . 1 1 30 30 ALA H H 30 8.452 8.452 8.520 -0.068 18706 2014 1 15 . 1 1 31 31 ASN N N 31 116.443 116.443 117.637 -1.194 18706 2015 1 15 . 1 1 31 31 ASN HA H 31 4.470 4.470 4.475 -0.005 18706 2016 1 15 . 1 1 31 31 ASN CA C 31 55.964 55.964 56.461 -0.497 18706 2017 1 15 . 1 1 31 31 ASN CB C 31 37.441 37.441 38.772 -1.331 18706 2018 1 15 . 1 1 31 31 ASN H H 31 8.226 8.226 7.719 0.507 18706 2019 1 15 . 1 1 32 32 ILE N N 32 118.219 118.219 121.045 -2.826 18706 2020 1 15 . 1 1 32 32 ILE HA H 32 3.557 3.557 3.709 -0.152 18706 2021 1 15 . 1 1 32 32 ILE CA C 32 65.529 65.529 65.385 0.144 18706 2022 1 15 . 1 1 32 32 ILE CB C 32 37.736 37.736 38.054 -0.318 18706 2023 1 15 . 1 1 32 32 ILE H H 32 8.055 8.055 7.910 0.145 18706 2024 1 15 . 1 1 33 33 ILE N N 33 120.114 120.114 119.984 0.130 18706 2025 1 15 . 1 1 33 33 ILE HA H 33 3.590 3.590 3.678 -0.088 18706 2026 1 15 . 1 1 33 33 ILE CA C 33 65.111 65.111 65.618 -0.507 18706 2027 1 15 . 1 1 33 33 ILE CB C 33 35.842 35.842 37.538 -1.696 18706 2028 1 15 . 1 1 33 33 ILE H H 33 8.753 8.753 8.635 0.118 18706 2029 1 15 . 1 1 34 34 GLY N N 34 108.895 108.895 108.384 0.511 18706 2030 1 15 . 1 1 34 34 GLY CA C 34 46.649 46.649 47.229 -0.580 18706 2031 1 15 . 1 1 35 35 ILE N N 35 121.351 121.351 122.938 -1.587 18706 2032 1 15 . 1 1 35 35 ILE HA H 35 3.797 3.797 3.739 0.058 18706 2033 1 15 . 1 1 35 35 ILE CA C 35 65.632 65.632 64.748 0.884 18706 2034 1 15 . 1 1 35 35 ILE CB C 35 37.845 37.845 38.128 -0.283 18706 2035 1 15 . 1 1 35 35 ILE H H 35 7.478 7.478 8.058 -0.580 18706 2036 1 15 . 1 1 36 36 LEU N N 36 119.361 119.361 120.684 -1.323 18706 2037 1 15 . 1 1 36 36 LEU HA H 36 3.870 3.870 3.942 -0.072 18706 2038 1 15 . 1 1 36 36 LEU CA C 36 57.867 57.867 57.822 0.045 18706 2039 1 15 . 1 1 36 36 LEU CB C 36 42.058 42.058 41.414 0.644 18706 2040 1 15 . 1 1 36 36 LEU H H 36 8.726 8.726 8.292 0.434 18706 2041 1 15 . 1 1 37 37 HIS N N 37 116.547 116.547 118.875 -2.328 18706 2042 1 15 . 1 1 37 37 HIS HA H 37 4.112 4.112 4.243 -0.131 18706 2043 1 15 . 1 1 37 37 HIS CA C 37 57.307 57.307 60.233 -2.926 18706 2044 1 15 . 1 1 37 37 HIS CB C 37 30.893 30.893 29.936 0.957 18706 2045 1 15 . 1 1 37 37 HIS H H 37 9.111 9.111 8.053 1.058 18706 2046 1 15 . 1 1 38 38 LEU N N 38 117.109 117.109 120.072 -2.963 18706 2047 1 15 . 1 1 38 38 LEU HA H 38 3.013 3.013 4.258 -1.245 18706 2048 1 15 . 1 1 38 38 LEU CA C 38 58.434 58.434 58.520 -0.086 18706 2049 1 15 . 1 1 38 38 LEU CB C 38 37.761 37.761 42.043 -4.282 18706 2050 1 15 . 1 1 38 38 LEU H H 38 6.860 6.860 7.768 -0.908 18706 2051 1 15 . 1 1 39 39 ILE N N 39 117.022 117.022 119.721 -2.699 18706 2052 1 15 . 1 1 39 39 ILE HA H 39 3.382 3.382 3.733 -0.351 18706 2053 1 15 . 1 1 39 39 ILE CA C 39 65.812 65.812 65.405 0.407 18706 2054 1 15 . 1 1 39 39 ILE CB C 39 37.562 37.562 37.803 -0.241 18706 2055 1 15 . 1 1 39 39 ILE H H 39 7.626 7.626 7.546 0.080 18706 2056 1 15 . 1 1 40 40 LEU N N 40 116.396 116.396 121.135 -4.739 18706 2057 1 15 . 1 1 40 40 LEU HA H 40 4.012 4.012 4.099 -0.087 18706 2058 1 15 . 1 1 40 40 LEU CA C 40 58.032 58.032 57.295 0.737 18706 2059 1 15 . 1 1 40 40 LEU CB C 40 41.947 41.947 41.086 0.861 18706 2060 1 15 . 1 1 40 40 LEU H H 40 8.827 8.827 7.858 0.969 18706 2061 1 15 . 1 1 41 41 TRP N N 41 119.815 119.815 121.375 -1.560 18706 2062 1 15 . 1 1 41 41 TRP HA H 41 4.343 4.343 4.377 -0.034 18706 2063 1 15 . 1 1 41 41 TRP CA C 41 62.301 62.301 61.428 0.873 18706 2064 1 15 . 1 1 41 41 TRP CB C 41 27.395 27.395 29.574 -2.179 18706 2065 1 15 . 1 1 41 41 TRP H H 41 8.229 8.229 8.671 -0.442 18706 2066 1 15 . 1 1 42 42 ILE N N 42 118.537 118.537 119.877 -1.340 18706 2067 1 15 . 1 1 42 42 ILE HA H 42 3.051 3.051 3.181 -0.130 18706 2068 1 15 . 1 1 42 42 ILE CA C 42 65.166 65.166 64.802 0.364 18706 2069 1 15 . 1 1 42 42 ILE CB C 42 37.696 37.696 38.147 -0.451 18706 2070 1 15 . 1 1 42 42 ILE H H 42 8.432 8.432 8.693 -0.261 18706 2071 1 15 . 1 1 43 43 LEU N N 43 118.124 118.124 119.854 -1.730 18706 2072 1 15 . 1 1 43 43 LEU HA H 43 4.005 4.005 3.920 0.085 18706 2073 1 15 . 1 1 43 43 LEU CA C 43 58.472 58.472 58.005 0.467 18706 2074 1 15 . 1 1 43 43 LEU CB C 43 41.942 41.942 41.565 0.378 18706 2075 1 15 . 1 1 43 43 LEU H H 43 8.149 8.149 7.587 0.562 18706 2076 1 15 . 1 1 44 44 ASP N N 44 119.401 119.401 119.413 -0.012 18706 2077 1 15 . 1 1 44 44 ASP HA H 44 4.580 4.580 4.521 0.059 18706 2078 1 15 . 1 1 44 44 ASP CA C 44 58.165 58.165 57.212 0.953 18706 2079 1 15 . 1 1 44 44 ASP CB C 44 43.647 43.647 40.144 3.503 18706 2080 1 15 . 1 1 44 44 ASP H H 44 8.572 8.572 8.110 0.462 18706 2081 1 15 . 1 1 45 45 ARG N N 45 115.835 115.835 118.233 -2.398 18706 2082 1 15 . 1 1 45 45 ARG HA H 45 3.954 3.954 4.262 -0.308 18706 2083 1 15 . 1 1 45 45 ARG CA C 45 56.437 56.437 58.072 -1.635 18706 2084 1 15 . 1 1 45 45 ARG CB C 45 29.411 29.411 29.609 -0.198 18706 2085 1 15 . 1 1 45 45 ARG H H 45 7.962 7.962 7.377 0.585 18706 2086 1 15 . 1 1 46 46 LEU N N 46 114.591 114.591 117.812 -3.221 18706 2087 1 15 . 1 1 46 46 LEU HA H 46 3.952 3.952 4.014 -0.062 18706 2088 1 15 . 1 1 46 46 LEU CA C 46 56.521 56.521 57.238 -0.717 18706 2089 1 15 . 1 1 46 46 LEU CB C 46 43.024 43.024 41.970 1.054 18706 2090 1 15 . 1 1 46 46 LEU H H 46 8.047 8.047 7.287 0.760 18706 2091 1 15 . 1 1 47 47 PHE N N 47 112.891 112.891 114.846 -1.955 18706 2092 1 15 . 1 1 47 47 PHE HA H 47 4.618 4.618 4.226 0.392 18706 2093 1 15 . 1 1 47 47 PHE CA C 47 59.065 59.065 59.616 -0.551 18706 2094 1 15 . 1 1 47 47 PHE CB C 47 41.119 41.119 40.104 1.015 18706 2095 1 15 . 1 1 47 47 PHE H H 47 8.030 8.030 7.628 0.402 18706 2096 1 15 . 1 1 48 48 PHE N N 48 118.885 118.885 117.290 1.595 18706 2097 1 15 . 1 1 48 48 PHE HA H 48 4.893 4.893 4.655 0.238 18706 2098 1 15 . 1 1 48 48 PHE CA C 48 57.576 57.576 57.029 0.547 18706 2099 1 15 . 1 1 48 48 PHE CB C 48 39.388 39.388 40.177 -0.789 18706 2100 1 15 . 1 1 48 48 PHE H H 48 8.300 8.300 7.746 0.554 18706 2101 1 16 . 1 1 20 20 ASN N N 20 120.297 120.297 120.793 -0.496 18706 2102 1 16 . 1 1 20 20 ASN HA H 20 4.861 4.861 4.570 0.291 18706 2103 1 16 . 1 1 20 20 ASN CA C 20 53.430 53.430 55.001 -1.571 18706 2104 1 16 . 1 1 20 20 ASN CB C 20 38.831 38.831 37.569 1.262 18706 2105 1 16 . 1 1 20 20 ASN H H 20 8.313 8.313 8.613 -0.300 18706 2106 1 16 . 1 1 21 21 ASP N N 21 120.233 120.233 118.262 1.971 18706 2107 1 16 . 1 1 21 21 ASP HA H 21 4.756 4.756 4.660 0.096 18706 2108 1 16 . 1 1 21 21 ASP CA C 21 54.305 54.305 54.944 -0.639 18706 2109 1 16 . 1 1 21 21 ASP CB C 21 41.911 41.911 39.938 1.973 18706 2110 1 16 . 1 1 21 21 ASP H H 21 8.280 8.280 8.595 -0.315 18706 2111 1 16 . 1 1 22 22 SER N N 22 115.690 115.690 114.447 1.243 18706 2112 1 16 . 1 1 22 22 SER HA H 22 4.410 4.410 4.276 0.134 18706 2113 1 16 . 1 1 22 22 SER CA C 22 58.393 58.393 60.001 -1.608 18706 2114 1 16 . 1 1 22 22 SER CB C 22 63.850 63.850 63.722 0.128 18706 2115 1 16 . 1 1 22 22 SER H H 22 8.347 8.347 7.694 0.653 18706 2116 1 16 . 1 1 23 23 SER N N 23 115.951 115.951 116.604 -0.653 18706 2117 1 16 . 1 1 23 23 SER HA H 23 4.330 4.330 4.601 -0.271 18706 2118 1 16 . 1 1 23 23 SER CA C 23 58.355 58.355 57.404 0.951 18706 2119 1 16 . 1 1 23 23 SER CB C 23 63.851 63.851 65.316 -1.464 18706 2120 1 16 . 1 1 23 23 SER H H 23 8.235 8.235 7.514 0.721 18706 2121 1 16 . 1 1 24 24 ASP N N 24 124.731 124.731 123.395 1.336 18706 2122 1 16 . 1 1 24 24 ASP HA H 24 4.827 4.827 4.791 0.036 18706 2123 1 16 . 1 1 24 24 ASP CA C 24 52.224 52.224 52.472 -0.248 18706 2124 1 16 . 1 1 24 24 ASP CB C 24 43.514 43.514 40.484 3.030 18706 2125 1 16 . 1 1 24 24 ASP H H 24 7.963 7.963 8.478 -0.515 18706 2126 1 16 . 1 1 25 25 PRO HA H 25 4.129 4.129 4.326 -0.197 18706 2127 1 16 . 1 1 25 25 PRO CA C 25 65.502 65.502 64.617 0.885 18706 2128 1 16 . 1 1 25 25 PRO CB C 25 32.478 32.478 31.995 0.483 18706 2129 1 16 . 1 1 26 26 LEU N N 26 116.951 116.951 118.369 -1.418 18706 2130 1 16 . 1 1 26 26 LEU HA H 26 4.054 4.054 4.048 0.006 18706 2131 1 16 . 1 1 26 26 LEU CA C 26 57.440 57.440 57.789 -0.349 18706 2132 1 16 . 1 1 26 26 LEU CB C 26 41.242 41.242 41.514 -0.272 18706 2133 1 16 . 1 1 26 26 LEU H H 26 8.240 8.240 8.105 0.135 18706 2134 1 16 . 1 1 27 27 VAL N N 27 118.624 118.624 118.754 -0.130 18706 2135 1 16 . 1 1 27 27 VAL HA H 27 3.447 3.447 3.571 -0.124 18706 2136 1 16 . 1 1 27 27 VAL CA C 27 65.752 65.752 66.525 -0.772 18706 2137 1 16 . 1 1 27 27 VAL CB C 27 25.152 25.152 31.547 -6.396 18706 2138 1 16 . 1 1 27 27 VAL H H 27 7.218 7.218 7.406 -0.188 18706 2139 1 16 . 1 1 28 28 VAL N N 28 118.219 118.219 119.513 -1.294 18706 2140 1 16 . 1 1 28 28 VAL HA H 28 3.501 3.501 3.544 -0.043 18706 2141 1 16 . 1 1 28 28 VAL CA C 28 66.968 66.968 66.766 0.202 18706 2142 1 16 . 1 1 28 28 VAL CB C 28 31.948 31.948 31.427 0.521 18706 2143 1 16 . 1 1 28 28 VAL H H 28 7.866 7.866 7.447 0.419 18706 2144 1 16 . 1 1 29 29 ALA N N 29 117.871 117.871 121.506 -3.635 18706 2145 1 16 . 1 1 29 29 ALA HA H 29 3.859 3.859 3.991 -0.132 18706 2146 1 16 . 1 1 29 29 ALA CA C 29 55.486 55.486 55.238 0.248 18706 2147 1 16 . 1 1 29 29 ALA CB C 29 18.727 18.727 18.030 0.697 18706 2148 1 16 . 1 1 29 29 ALA H H 29 8.348 8.348 8.075 0.273 18706 2149 1 16 . 1 1 30 30 ALA N N 30 118.323 118.323 121.185 -2.862 18706 2150 1 16 . 1 1 30 30 ALA HA H 30 3.820 3.820 3.974 -0.154 18706 2151 1 16 . 1 1 30 30 ALA CA C 30 55.509 55.509 55.221 0.287 18706 2152 1 16 . 1 1 30 30 ALA CB C 30 18.958 18.958 18.290 0.668 18706 2153 1 16 . 1 1 30 30 ALA H H 30 8.452 8.452 8.455 -0.003 18706 2154 1 16 . 1 1 31 31 ASN N N 31 116.443 116.443 117.755 -1.312 18706 2155 1 16 . 1 1 31 31 ASN HA H 31 4.470 4.470 4.474 -0.004 18706 2156 1 16 . 1 1 31 31 ASN CA C 31 55.964 55.964 55.870 0.094 18706 2157 1 16 . 1 1 31 31 ASN CB C 31 37.441 37.441 38.181 -0.740 18706 2158 1 16 . 1 1 31 31 ASN H H 31 8.226 8.226 8.088 0.138 18706 2159 1 16 . 1 1 32 32 ILE N N 32 118.219 118.219 121.537 -3.318 18706 2160 1 16 . 1 1 32 32 ILE HA H 32 3.557 3.557 3.729 -0.172 18706 2161 1 16 . 1 1 32 32 ILE CA C 32 65.529 65.529 65.541 -0.012 18706 2162 1 16 . 1 1 32 32 ILE CB C 32 37.736 37.736 37.878 -0.142 18706 2163 1 16 . 1 1 32 32 ILE H H 32 8.055 8.055 8.052 0.003 18706 2164 1 16 . 1 1 33 33 ILE N N 33 120.114 120.114 119.967 0.147 18706 2165 1 16 . 1 1 33 33 ILE HA H 33 3.590 3.590 3.765 -0.175 18706 2166 1 16 . 1 1 33 33 ILE CA C 33 65.111 65.111 64.755 0.356 18706 2167 1 16 . 1 1 33 33 ILE CB C 33 35.842 35.842 36.623 -0.781 18706 2168 1 16 . 1 1 33 33 ILE H H 33 8.753 8.753 8.440 0.313 18706 2169 1 16 . 1 1 34 34 GLY N N 34 108.895 108.895 108.658 0.237 18706 2170 1 16 . 1 1 34 34 GLY CA C 34 46.649 46.649 47.262 -0.613 18706 2171 1 16 . 1 1 35 35 ILE N N 35 121.351 121.351 122.956 -1.605 18706 2172 1 16 . 1 1 35 35 ILE HA H 35 3.797 3.797 3.737 0.060 18706 2173 1 16 . 1 1 35 35 ILE CA C 35 65.632 65.632 64.750 0.882 18706 2174 1 16 . 1 1 35 35 ILE CB C 35 37.845 37.845 38.136 -0.291 18706 2175 1 16 . 1 1 35 35 ILE H H 35 7.478 7.478 8.062 -0.584 18706 2176 1 16 . 1 1 36 36 LEU N N 36 119.361 119.361 120.681 -1.320 18706 2177 1 16 . 1 1 36 36 LEU HA H 36 3.870 3.870 3.945 -0.075 18706 2178 1 16 . 1 1 36 36 LEU CA C 36 57.867 57.867 57.877 -0.010 18706 2179 1 16 . 1 1 36 36 LEU CB C 36 42.058 42.058 41.417 0.641 18706 2180 1 16 . 1 1 36 36 LEU H H 36 8.726 8.726 8.420 0.306 18706 2181 1 16 . 1 1 37 37 HIS N N 37 116.547 116.547 118.783 -2.236 18706 2182 1 16 . 1 1 37 37 HIS HA H 37 4.112 4.112 4.248 -0.136 18706 2183 1 16 . 1 1 37 37 HIS CA C 37 57.307 57.307 60.158 -2.852 18706 2184 1 16 . 1 1 37 37 HIS CB C 37 30.893 30.893 29.941 0.952 18706 2185 1 16 . 1 1 37 37 HIS H H 37 9.111 9.111 8.078 1.033 18706 2186 1 16 . 1 1 38 38 LEU N N 38 117.109 117.109 120.069 -2.960 18706 2187 1 16 . 1 1 38 38 LEU HA H 38 3.013 3.013 4.259 -1.246 18706 2188 1 16 . 1 1 38 38 LEU CA C 38 58.434 58.434 58.548 -0.114 18706 2189 1 16 . 1 1 38 38 LEU CB C 38 37.761 37.761 42.020 -4.259 18706 2190 1 16 . 1 1 38 38 LEU H H 38 6.860 6.860 7.772 -0.912 18706 2191 1 16 . 1 1 39 39 ILE N N 39 117.022 117.022 119.826 -2.804 18706 2192 1 16 . 1 1 39 39 ILE HA H 39 3.382 3.382 3.694 -0.312 18706 2193 1 16 . 1 1 39 39 ILE CA C 39 65.812 65.812 65.400 0.412 18706 2194 1 16 . 1 1 39 39 ILE CB C 39 37.562 37.562 37.842 -0.280 18706 2195 1 16 . 1 1 39 39 ILE H H 39 7.626 7.626 7.475 0.151 18706 2196 1 16 . 1 1 40 40 LEU N N 40 116.396 116.396 119.849 -3.453 18706 2197 1 16 . 1 1 40 40 LEU HA H 40 4.012 4.012 4.088 -0.076 18706 2198 1 16 . 1 1 40 40 LEU CA C 40 58.032 58.032 58.539 -0.507 18706 2199 1 16 . 1 1 40 40 LEU CB C 40 41.947 41.947 41.517 0.430 18706 2200 1 16 . 1 1 40 40 LEU H H 40 8.827 8.827 7.722 1.105 18706 2201 1 16 . 1 1 41 41 TRP N N 41 119.815 119.815 121.229 -1.414 18706 2202 1 16 . 1 1 41 41 TRP HA H 41 4.343 4.343 4.309 0.034 18706 2203 1 16 . 1 1 41 41 TRP CA C 41 62.301 62.301 61.513 0.788 18706 2204 1 16 . 1 1 41 41 TRP CB C 41 27.395 27.395 29.846 -2.451 18706 2205 1 16 . 1 1 41 41 TRP H H 41 8.229 8.229 8.658 -0.429 18706 2206 1 16 . 1 1 42 42 ILE N N 42 118.537 118.537 119.974 -1.437 18706 2207 1 16 . 1 1 42 42 ILE HA H 42 3.051 3.051 3.232 -0.181 18706 2208 1 16 . 1 1 42 42 ILE CA C 42 65.166 65.166 64.234 0.932 18706 2209 1 16 . 1 1 42 42 ILE CB C 42 37.696 37.696 38.032 -0.336 18706 2210 1 16 . 1 1 42 42 ILE H H 42 8.432 8.432 8.864 -0.432 18706 2211 1 16 . 1 1 43 43 LEU N N 43 118.124 118.124 121.036 -2.912 18706 2212 1 16 . 1 1 43 43 LEU HA H 43 4.005 4.005 3.959 0.046 18706 2213 1 16 . 1 1 43 43 LEU CA C 43 58.472 58.472 58.080 0.392 18706 2214 1 16 . 1 1 43 43 LEU CB C 43 41.942 41.942 41.365 0.577 18706 2215 1 16 . 1 1 43 43 LEU H H 43 8.149 8.149 7.535 0.614 18706 2216 1 16 . 1 1 44 44 ASP N N 44 119.401 119.401 118.608 0.793 18706 2217 1 16 . 1 1 44 44 ASP HA H 44 4.580 4.580 4.437 0.143 18706 2218 1 16 . 1 1 44 44 ASP CA C 44 58.165 58.165 56.991 1.174 18706 2219 1 16 . 1 1 44 44 ASP CB C 44 43.647 43.647 40.836 2.811 18706 2220 1 16 . 1 1 44 44 ASP H H 44 8.572 8.572 7.711 0.861 18706 2221 1 16 . 1 1 45 45 ARG N N 45 115.835 115.835 118.764 -2.929 18706 2222 1 16 . 1 1 45 45 ARG HA H 45 3.954 3.954 4.250 -0.296 18706 2223 1 16 . 1 1 45 45 ARG CA C 45 56.437 56.437 57.863 -1.426 18706 2224 1 16 . 1 1 45 45 ARG CB C 45 29.411 29.411 29.788 -0.378 18706 2225 1 16 . 1 1 45 45 ARG H H 45 7.962 7.962 7.262 0.700 18706 2226 1 16 . 1 1 46 46 LEU N N 46 114.591 114.591 119.524 -4.933 18706 2227 1 16 . 1 1 46 46 LEU HA H 46 3.952 3.952 3.925 0.027 18706 2228 1 16 . 1 1 46 46 LEU CA C 46 56.521 56.521 57.638 -1.117 18706 2229 1 16 . 1 1 46 46 LEU CB C 46 43.024 43.024 41.950 1.074 18706 2230 1 16 . 1 1 46 46 LEU H H 46 8.047 8.047 7.665 0.382 18706 2231 1 16 . 1 1 47 47 PHE N N 47 112.891 112.891 114.857 -1.966 18706 2232 1 16 . 1 1 47 47 PHE HA H 47 4.618 4.618 4.279 0.339 18706 2233 1 16 . 1 1 47 47 PHE CA C 47 59.065 59.065 59.370 -0.305 18706 2234 1 16 . 1 1 47 47 PHE CB C 47 41.119 41.119 39.998 1.121 18706 2235 1 16 . 1 1 47 47 PHE H H 47 8.030 8.030 7.551 0.479 18706 2236 1 16 . 1 1 48 48 PHE N N 48 118.885 118.885 119.062 -0.177 18706 2237 1 16 . 1 1 48 48 PHE HA H 48 4.893 4.893 4.732 0.161 18706 2238 1 16 . 1 1 48 48 PHE CA C 48 57.576 57.576 56.762 0.814 18706 2239 1 16 . 1 1 48 48 PHE CB C 48 39.388 39.388 40.402 -1.014 18706 2240 1 16 . 1 1 48 48 PHE H H 48 8.300 8.300 7.259 1.041 18706 2241 1 17 . 1 1 20 20 ASN N N 20 120.297 120.297 119.621 0.676 18706 2242 1 17 . 1 1 20 20 ASN HA H 20 4.861 4.861 4.439 0.422 18706 2243 1 17 . 1 1 20 20 ASN CA C 20 53.430 53.430 53.617 -0.187 18706 2244 1 17 . 1 1 20 20 ASN CB C 20 38.831 38.831 38.278 0.553 18706 2245 1 17 . 1 1 20 20 ASN H H 20 8.313 8.313 8.427 -0.114 18706 2246 1 17 . 1 1 21 21 ASP N N 21 120.233 120.233 117.455 2.778 18706 2247 1 17 . 1 1 21 21 ASP HA H 21 4.756 4.756 4.506 0.250 18706 2248 1 17 . 1 1 21 21 ASP CA C 21 54.305 54.305 55.349 -1.044 18706 2249 1 17 . 1 1 21 21 ASP CB C 21 41.911 41.911 40.618 1.293 18706 2250 1 17 . 1 1 21 21 ASP H H 21 8.280 8.280 8.660 -0.380 18706 2251 1 17 . 1 1 22 22 SER N N 22 115.690 115.690 114.064 1.626 18706 2252 1 17 . 1 1 22 22 SER HA H 22 4.410 4.410 4.344 0.066 18706 2253 1 17 . 1 1 22 22 SER CA C 22 58.393 58.393 59.601 -1.208 18706 2254 1 17 . 1 1 22 22 SER CB C 22 63.850 63.850 63.607 0.243 18706 2255 1 17 . 1 1 22 22 SER H H 22 8.347 8.347 8.340 0.007 18706 2256 1 17 . 1 1 23 23 SER N N 23 115.951 115.951 115.765 0.186 18706 2257 1 17 . 1 1 23 23 SER HA H 23 4.330 4.330 4.571 -0.241 18706 2258 1 17 . 1 1 23 23 SER CA C 23 58.355 58.355 57.756 0.599 18706 2259 1 17 . 1 1 23 23 SER CB C 23 63.851 63.851 66.204 -2.353 18706 2260 1 17 . 1 1 23 23 SER H H 23 8.235 8.235 7.464 0.771 18706 2261 1 17 . 1 1 24 24 ASP N N 24 124.731 124.731 123.996 0.735 18706 2262 1 17 . 1 1 24 24 ASP HA H 24 4.827 4.827 4.741 0.086 18706 2263 1 17 . 1 1 24 24 ASP CA C 24 52.224 52.224 53.947 -1.723 18706 2264 1 17 . 1 1 24 24 ASP CB C 24 43.514 43.514 41.058 2.456 18706 2265 1 17 . 1 1 24 24 ASP H H 24 7.963 7.963 8.418 -0.455 18706 2266 1 17 . 1 1 25 25 PRO HA H 25 4.129 4.129 4.170 -0.041 18706 2267 1 17 . 1 1 25 25 PRO CA C 25 65.502 65.502 66.097 -0.595 18706 2268 1 17 . 1 1 25 25 PRO CB C 25 32.478 32.478 31.867 0.611 18706 2269 1 17 . 1 1 26 26 LEU N N 26 116.951 116.951 115.603 1.348 18706 2270 1 17 . 1 1 26 26 LEU HA H 26 4.054 4.054 4.074 -0.020 18706 2271 1 17 . 1 1 26 26 LEU CA C 26 57.440 57.440 57.861 -0.421 18706 2272 1 17 . 1 1 26 26 LEU CB C 26 41.242 41.242 41.364 -0.121 18706 2273 1 17 . 1 1 26 26 LEU H H 26 8.240 8.240 8.174 0.066 18706 2274 1 17 . 1 1 27 27 VAL N N 27 118.624 118.624 119.474 -0.850 18706 2275 1 17 . 1 1 27 27 VAL HA H 27 3.447 3.447 3.694 -0.247 18706 2276 1 17 . 1 1 27 27 VAL CA C 27 65.752 65.752 66.221 -0.469 18706 2277 1 17 . 1 1 27 27 VAL CB C 27 25.152 25.152 31.135 -5.983 18706 2278 1 17 . 1 1 27 27 VAL H H 27 7.218 7.218 7.600 -0.382 18706 2279 1 17 . 1 1 28 28 VAL N N 28 118.219 118.219 120.339 -2.120 18706 2280 1 17 . 1 1 28 28 VAL HA H 28 3.501 3.501 3.786 -0.285 18706 2281 1 17 . 1 1 28 28 VAL CA C 28 66.968 66.968 64.865 2.103 18706 2282 1 17 . 1 1 28 28 VAL CB C 28 31.948 31.948 31.008 0.940 18706 2283 1 17 . 1 1 28 28 VAL H H 28 7.866 7.866 7.938 -0.072 18706 2284 1 17 . 1 1 29 29 ALA N N 29 117.871 117.871 122.238 -4.367 18706 2285 1 17 . 1 1 29 29 ALA HA H 29 3.859 3.859 3.993 -0.134 18706 2286 1 17 . 1 1 29 29 ALA CA C 29 55.486 55.486 55.426 0.060 18706 2287 1 17 . 1 1 29 29 ALA CB C 29 18.727 18.727 18.067 0.660 18706 2288 1 17 . 1 1 29 29 ALA H H 29 8.348 8.348 8.430 -0.082 18706 2289 1 17 . 1 1 30 30 ALA N N 30 118.323 118.323 120.756 -2.433 18706 2290 1 17 . 1 1 30 30 ALA HA H 30 3.820 3.820 3.945 -0.125 18706 2291 1 17 . 1 1 30 30 ALA CA C 30 55.509 55.509 55.305 0.204 18706 2292 1 17 . 1 1 30 30 ALA CB C 30 18.958 18.958 18.247 0.711 18706 2293 1 17 . 1 1 30 30 ALA H H 30 8.452 8.452 8.490 -0.038 18706 2294 1 17 . 1 1 31 31 ASN N N 31 116.443 116.443 117.869 -1.426 18706 2295 1 17 . 1 1 31 31 ASN HA H 31 4.470 4.470 4.419 0.051 18706 2296 1 17 . 1 1 31 31 ASN CA C 31 55.964 55.964 56.287 -0.323 18706 2297 1 17 . 1 1 31 31 ASN CB C 31 37.441 37.441 38.553 -1.112 18706 2298 1 17 . 1 1 31 31 ASN H H 31 8.226 8.226 7.739 0.487 18706 2299 1 17 . 1 1 32 32 ILE N N 32 118.219 118.219 121.346 -3.127 18706 2300 1 17 . 1 1 32 32 ILE HA H 32 3.557 3.557 3.665 -0.108 18706 2301 1 17 . 1 1 32 32 ILE CA C 32 65.529 65.529 65.751 -0.222 18706 2302 1 17 . 1 1 32 32 ILE CB C 32 37.736 37.736 37.931 -0.195 18706 2303 1 17 . 1 1 32 32 ILE H H 32 8.055 8.055 8.163 -0.108 18706 2304 1 17 . 1 1 33 33 ILE N N 33 120.114 120.114 119.993 0.121 18706 2305 1 17 . 1 1 33 33 ILE HA H 33 3.590 3.590 3.677 -0.087 18706 2306 1 17 . 1 1 33 33 ILE CA C 33 65.111 65.111 65.642 -0.531 18706 2307 1 17 . 1 1 33 33 ILE CB C 33 35.842 35.842 37.540 -1.698 18706 2308 1 17 . 1 1 33 33 ILE H H 33 8.753 8.753 8.620 0.133 18706 2309 1 17 . 1 1 34 34 GLY N N 34 108.895 108.895 108.370 0.525 18706 2310 1 17 . 1 1 34 34 GLY CA C 34 46.649 46.649 47.230 -0.581 18706 2311 1 17 . 1 1 35 35 ILE N N 35 121.351 121.351 122.917 -1.566 18706 2312 1 17 . 1 1 35 35 ILE HA H 35 3.797 3.797 3.735 0.062 18706 2313 1 17 . 1 1 35 35 ILE CA C 35 65.632 65.632 64.737 0.895 18706 2314 1 17 . 1 1 35 35 ILE CB C 35 37.845 37.845 38.127 -0.282 18706 2315 1 17 . 1 1 35 35 ILE H H 35 7.478 7.478 8.039 -0.561 18706 2316 1 17 . 1 1 36 36 LEU N N 36 119.361 119.361 120.646 -1.285 18706 2317 1 17 . 1 1 36 36 LEU HA H 36 3.870 3.870 3.942 -0.072 18706 2318 1 17 . 1 1 36 36 LEU CA C 36 57.867 57.867 57.842 0.025 18706 2319 1 17 . 1 1 36 36 LEU CB C 36 42.058 42.058 41.459 0.599 18706 2320 1 17 . 1 1 36 36 LEU H H 36 8.726 8.726 8.290 0.436 18706 2321 1 17 . 1 1 37 37 HIS N N 37 116.547 116.547 118.856 -2.309 18706 2322 1 17 . 1 1 37 37 HIS HA H 37 4.112 4.112 4.244 -0.132 18706 2323 1 17 . 1 1 37 37 HIS CA C 37 57.307 57.307 60.206 -2.899 18706 2324 1 17 . 1 1 37 37 HIS CB C 37 30.893 30.893 29.933 0.960 18706 2325 1 17 . 1 1 37 37 HIS H H 37 9.111 9.111 8.054 1.057 18706 2326 1 17 . 1 1 38 38 LEU N N 38 117.109 117.109 120.029 -2.920 18706 2327 1 17 . 1 1 38 38 LEU HA H 38 3.013 3.013 4.275 -1.262 18706 2328 1 17 . 1 1 38 38 LEU CA C 38 58.434 58.434 58.469 -0.036 18706 2329 1 17 . 1 1 38 38 LEU CB C 38 37.761 37.761 41.960 -4.199 18706 2330 1 17 . 1 1 38 38 LEU H H 38 6.860 6.860 7.766 -0.906 18706 2331 1 17 . 1 1 39 39 ILE N N 39 117.022 117.022 119.510 -2.488 18706 2332 1 17 . 1 1 39 39 ILE HA H 39 3.382 3.382 3.809 -0.427 18706 2333 1 17 . 1 1 39 39 ILE CA C 39 65.812 65.812 63.969 1.842 18706 2334 1 17 . 1 1 39 39 ILE CB C 39 37.562 37.562 36.490 1.072 18706 2335 1 17 . 1 1 39 39 ILE H H 39 7.626 7.626 7.564 0.062 18706 2336 1 17 . 1 1 40 40 LEU N N 40 116.396 116.396 121.029 -4.633 18706 2337 1 17 . 1 1 40 40 LEU HA H 40 4.012 4.012 4.134 -0.122 18706 2338 1 17 . 1 1 40 40 LEU CA C 40 58.032 58.032 58.094 -0.062 18706 2339 1 17 . 1 1 40 40 LEU CB C 40 41.947 41.947 41.690 0.257 18706 2340 1 17 . 1 1 40 40 LEU H H 40 8.827 8.827 7.803 1.024 18706 2341 1 17 . 1 1 41 41 TRP N N 41 119.815 119.815 121.143 -1.328 18706 2342 1 17 . 1 1 41 41 TRP HA H 41 4.343 4.343 4.275 0.068 18706 2343 1 17 . 1 1 41 41 TRP CA C 41 62.301 62.301 61.770 0.531 18706 2344 1 17 . 1 1 41 41 TRP CB C 41 27.395 27.395 29.703 -2.308 18706 2345 1 17 . 1 1 41 41 TRP H H 41 8.229 8.229 8.619 -0.390 18706 2346 1 17 . 1 1 42 42 ILE N N 42 118.537 118.537 119.595 -1.058 18706 2347 1 17 . 1 1 42 42 ILE HA H 42 3.051 3.051 3.171 -0.120 18706 2348 1 17 . 1 1 42 42 ILE CA C 42 65.166 65.166 64.321 0.845 18706 2349 1 17 . 1 1 42 42 ILE CB C 42 37.696 37.696 38.087 -0.390 18706 2350 1 17 . 1 1 42 42 ILE H H 42 8.432 8.432 8.723 -0.291 18706 2351 1 17 . 1 1 43 43 LEU N N 43 118.124 118.124 120.660 -2.536 18706 2352 1 17 . 1 1 43 43 LEU HA H 43 4.005 4.005 3.905 0.100 18706 2353 1 17 . 1 1 43 43 LEU CA C 43 58.472 58.472 57.770 0.702 18706 2354 1 17 . 1 1 43 43 LEU CB C 43 41.942 41.942 41.508 0.434 18706 2355 1 17 . 1 1 43 43 LEU H H 43 8.149 8.149 7.692 0.457 18706 2356 1 17 . 1 1 44 44 ASP N N 44 119.401 119.401 118.948 0.453 18706 2357 1 17 . 1 1 44 44 ASP HA H 44 4.580 4.580 4.405 0.175 18706 2358 1 17 . 1 1 44 44 ASP CA C 44 58.165 58.165 57.755 0.409 18706 2359 1 17 . 1 1 44 44 ASP CB C 44 43.647 43.647 40.905 2.742 18706 2360 1 17 . 1 1 44 44 ASP H H 44 8.572 8.572 8.354 0.218 18706 2361 1 17 . 1 1 45 45 ARG N N 45 115.835 115.835 118.894 -3.059 18706 2362 1 17 . 1 1 45 45 ARG HA H 45 3.954 3.954 4.186 -0.232 18706 2363 1 17 . 1 1 45 45 ARG CA C 45 56.437 56.437 58.308 -1.871 18706 2364 1 17 . 1 1 45 45 ARG CB C 45 29.411 29.411 29.909 -0.498 18706 2365 1 17 . 1 1 45 45 ARG H H 45 7.962 7.962 7.385 0.577 18706 2366 1 17 . 1 1 46 46 LEU N N 46 114.591 114.591 119.465 -4.874 18706 2367 1 17 . 1 1 46 46 LEU HA H 46 3.952 3.952 3.837 0.115 18706 2368 1 17 . 1 1 46 46 LEU CA C 46 56.521 56.521 57.429 -0.909 18706 2369 1 17 . 1 1 46 46 LEU CB C 46 43.024 43.024 41.703 1.321 18706 2370 1 17 . 1 1 46 46 LEU H H 46 8.047 8.047 7.189 0.858 18706 2371 1 17 . 1 1 47 47 PHE N N 47 112.891 112.891 116.576 -3.685 18706 2372 1 17 . 1 1 47 47 PHE HA H 47 4.618 4.618 4.098 0.520 18706 2373 1 17 . 1 1 47 47 PHE CA C 47 59.065 59.065 61.391 -2.326 18706 2374 1 17 . 1 1 47 47 PHE CB C 47 41.119 41.119 39.392 1.727 18706 2375 1 17 . 1 1 47 47 PHE H H 47 8.030 8.030 7.415 0.615 18706 2376 1 17 . 1 1 48 48 PHE N N 48 118.885 118.885 118.015 0.870 18706 2377 1 17 . 1 1 48 48 PHE HA H 48 4.893 4.893 4.660 0.233 18706 2378 1 17 . 1 1 48 48 PHE CA C 48 57.576 57.576 57.093 0.483 18706 2379 1 17 . 1 1 48 48 PHE CB C 48 39.388 39.388 40.175 -0.787 18706 2380 1 17 . 1 1 48 48 PHE H H 48 8.300 8.300 7.745 0.555 18706 2381 1 18 . 1 1 20 20 ASN N N 20 120.297 120.297 122.172 -1.875 18706 2382 1 18 . 1 1 20 20 ASN HA H 20 4.861 4.861 4.856 0.005 18706 2383 1 18 . 1 1 20 20 ASN CA C 20 53.430 53.430 53.764 -0.334 18706 2384 1 18 . 1 1 20 20 ASN CB C 20 38.831 38.831 39.459 -0.628 18706 2385 1 18 . 1 1 20 20 ASN H H 20 8.313 8.313 8.107 0.206 18706 2386 1 18 . 1 1 21 21 ASP N N 21 120.233 120.233 122.557 -2.324 18706 2387 1 18 . 1 1 21 21 ASP HA H 21 4.756 4.756 4.612 0.144 18706 2388 1 18 . 1 1 21 21 ASP CA C 21 54.305 54.305 53.998 0.307 18706 2389 1 18 . 1 1 21 21 ASP CB C 21 41.911 41.911 40.733 1.178 18706 2390 1 18 . 1 1 21 21 ASP H H 21 8.280 8.280 8.679 -0.399 18706 2391 1 18 . 1 1 22 22 SER N N 22 115.690 115.690 116.299 -0.609 18706 2392 1 18 . 1 1 22 22 SER HA H 22 4.410 4.410 4.279 0.131 18706 2393 1 18 . 1 1 22 22 SER CA C 22 58.393 58.393 60.276 -1.883 18706 2394 1 18 . 1 1 22 22 SER CB C 22 63.850 63.850 63.626 0.224 18706 2395 1 18 . 1 1 22 22 SER H H 22 8.347 8.347 8.094 0.253 18706 2396 1 18 . 1 1 23 23 SER N N 23 115.951 115.951 115.787 0.164 18706 2397 1 18 . 1 1 23 23 SER HA H 23 4.330 4.330 4.537 -0.207 18706 2398 1 18 . 1 1 23 23 SER CA C 23 58.355 58.355 57.560 0.795 18706 2399 1 18 . 1 1 23 23 SER CB C 23 63.851 63.851 64.382 -0.531 18706 2400 1 18 . 1 1 23 23 SER H H 23 8.235 8.235 7.718 0.517 18706 2401 1 18 . 1 1 24 24 ASP N N 24 124.731 124.731 128.306 -3.575 18706 2402 1 18 . 1 1 24 24 ASP HA H 24 4.827 4.827 4.828 -0.001 18706 2403 1 18 . 1 1 24 24 ASP CA C 24 52.224 52.224 52.535 -0.311 18706 2404 1 18 . 1 1 24 24 ASP CB C 24 43.514 43.514 40.260 3.254 18706 2405 1 18 . 1 1 24 24 ASP H H 24 7.963 7.963 8.455 -0.492 18706 2406 1 18 . 1 1 25 25 PRO HA H 25 4.129 4.129 4.167 -0.038 18706 2407 1 18 . 1 1 25 25 PRO CA C 25 65.502 65.502 65.823 -0.321 18706 2408 1 18 . 1 1 25 25 PRO CB C 25 32.478 32.478 31.870 0.608 18706 2409 1 18 . 1 1 26 26 LEU N N 26 116.951 116.951 116.460 0.491 18706 2410 1 18 . 1 1 26 26 LEU HA H 26 4.054 4.054 4.152 -0.098 18706 2411 1 18 . 1 1 26 26 LEU CA C 26 57.440 57.440 57.929 -0.489 18706 2412 1 18 . 1 1 26 26 LEU CB C 26 41.242 41.242 40.781 0.461 18706 2413 1 18 . 1 1 26 26 LEU H H 26 8.240 8.240 8.306 -0.066 18706 2414 1 18 . 1 1 27 27 VAL N N 27 118.624 118.624 119.512 -0.888 18706 2415 1 18 . 1 1 27 27 VAL HA H 27 3.447 3.447 3.666 -0.219 18706 2416 1 18 . 1 1 27 27 VAL CA C 27 65.752 65.752 66.662 -0.910 18706 2417 1 18 . 1 1 27 27 VAL CB C 27 25.152 25.152 31.112 -5.960 18706 2418 1 18 . 1 1 27 27 VAL H H 27 7.218 7.218 7.690 -0.472 18706 2419 1 18 . 1 1 28 28 VAL N N 28 118.219 118.219 119.931 -1.712 18706 2420 1 18 . 1 1 28 28 VAL HA H 28 3.501 3.501 3.654 -0.153 18706 2421 1 18 . 1 1 28 28 VAL CA C 28 66.968 66.968 65.909 1.060 18706 2422 1 18 . 1 1 28 28 VAL CB C 28 31.948 31.948 31.498 0.450 18706 2423 1 18 . 1 1 28 28 VAL H H 28 7.866 7.866 7.737 0.129 18706 2424 1 18 . 1 1 29 29 ALA N N 29 117.871 117.871 122.049 -4.178 18706 2425 1 18 . 1 1 29 29 ALA HA H 29 3.859 3.859 3.940 -0.081 18706 2426 1 18 . 1 1 29 29 ALA CA C 29 55.486 55.486 55.465 0.021 18706 2427 1 18 . 1 1 29 29 ALA CB C 29 18.727 18.727 17.978 0.749 18706 2428 1 18 . 1 1 29 29 ALA H H 29 8.348 8.348 8.512 -0.164 18706 2429 1 18 . 1 1 30 30 ALA N N 30 118.323 118.323 120.720 -2.397 18706 2430 1 18 . 1 1 30 30 ALA HA H 30 3.820 3.820 3.966 -0.146 18706 2431 1 18 . 1 1 30 30 ALA CA C 30 55.509 55.509 55.158 0.351 18706 2432 1 18 . 1 1 30 30 ALA CB C 30 18.958 18.958 18.315 0.643 18706 2433 1 18 . 1 1 30 30 ALA H H 30 8.452 8.452 8.493 -0.041 18706 2434 1 18 . 1 1 31 31 ASN N N 31 116.443 116.443 117.571 -1.128 18706 2435 1 18 . 1 1 31 31 ASN HA H 31 4.470 4.470 4.488 -0.018 18706 2436 1 18 . 1 1 31 31 ASN CA C 31 55.964 55.964 55.898 0.066 18706 2437 1 18 . 1 1 31 31 ASN CB C 31 37.441 37.441 38.497 -1.056 18706 2438 1 18 . 1 1 31 31 ASN H H 31 8.226 8.226 7.730 0.496 18706 2439 1 18 . 1 1 32 32 ILE N N 32 118.219 118.219 120.819 -2.600 18706 2440 1 18 . 1 1 32 32 ILE HA H 32 3.557 3.557 3.657 -0.100 18706 2441 1 18 . 1 1 32 32 ILE CA C 32 65.529 65.529 65.737 -0.208 18706 2442 1 18 . 1 1 32 32 ILE CB C 32 37.736 37.736 37.988 -0.252 18706 2443 1 18 . 1 1 32 32 ILE H H 32 8.055 8.055 8.338 -0.283 18706 2444 1 18 . 1 1 33 33 ILE N N 33 120.114 120.114 119.906 0.208 18706 2445 1 18 . 1 1 33 33 ILE HA H 33 3.590 3.590 3.683 -0.093 18706 2446 1 18 . 1 1 33 33 ILE CA C 33 65.111 65.111 65.569 -0.458 18706 2447 1 18 . 1 1 33 33 ILE CB C 33 35.842 35.842 37.541 -1.699 18706 2448 1 18 . 1 1 33 33 ILE H H 33 8.753 8.753 8.351 0.402 18706 2449 1 18 . 1 1 34 34 GLY N N 34 108.895 108.895 108.405 0.490 18706 2450 1 18 . 1 1 34 34 GLY CA C 34 46.649 46.649 47.197 -0.548 18706 2451 1 18 . 1 1 35 35 ILE N N 35 121.351 121.351 122.920 -1.569 18706 2452 1 18 . 1 1 35 35 ILE HA H 35 3.797 3.797 3.741 0.056 18706 2453 1 18 . 1 1 35 35 ILE CA C 35 65.632 65.632 64.931 0.701 18706 2454 1 18 . 1 1 35 35 ILE CB C 35 37.845 37.845 38.193 -0.348 18706 2455 1 18 . 1 1 35 35 ILE H H 35 7.478 7.478 8.236 -0.758 18706 2456 1 18 . 1 1 36 36 LEU N N 36 119.361 119.361 120.646 -1.285 18706 2457 1 18 . 1 1 36 36 LEU HA H 36 3.870 3.870 3.870 0.000 18706 2458 1 18 . 1 1 36 36 LEU CA C 36 57.867 57.867 58.261 -0.394 18706 2459 1 18 . 1 1 36 36 LEU CB C 36 42.058 42.058 41.861 0.197 18706 2460 1 18 . 1 1 36 36 LEU H H 36 8.726 8.726 8.280 0.446 18706 2461 1 18 . 1 1 37 37 HIS N N 37 116.547 116.547 118.744 -2.197 18706 2462 1 18 . 1 1 37 37 HIS HA H 37 4.112 4.112 4.228 -0.116 18706 2463 1 18 . 1 1 37 37 HIS CA C 37 57.307 57.307 60.169 -2.862 18706 2464 1 18 . 1 1 37 37 HIS CB C 37 30.893 30.893 29.971 0.922 18706 2465 1 18 . 1 1 37 37 HIS H H 37 9.111 9.111 7.956 1.155 18706 2466 1 18 . 1 1 38 38 LEU N N 38 117.109 117.109 120.029 -2.920 18706 2467 1 18 . 1 1 38 38 LEU HA H 38 3.013 3.013 4.234 -1.221 18706 2468 1 18 . 1 1 38 38 LEU CA C 38 58.434 58.434 58.463 -0.029 18706 2469 1 18 . 1 1 38 38 LEU CB C 38 37.761 37.761 41.996 -4.235 18706 2470 1 18 . 1 1 38 38 LEU H H 38 6.860 6.860 7.754 -0.894 18706 2471 1 18 . 1 1 39 39 ILE N N 39 117.022 117.022 119.738 -2.716 18706 2472 1 18 . 1 1 39 39 ILE HA H 39 3.382 3.382 3.638 -0.256 18706 2473 1 18 . 1 1 39 39 ILE CA C 39 65.812 65.812 65.617 0.195 18706 2474 1 18 . 1 1 39 39 ILE CB C 39 37.562 37.562 37.766 -0.204 18706 2475 1 18 . 1 1 39 39 ILE H H 39 7.626 7.626 7.495 0.131 18706 2476 1 18 . 1 1 40 40 LEU N N 40 116.396 116.396 119.395 -2.999 18706 2477 1 18 . 1 1 40 40 LEU HA H 40 4.012 4.012 3.977 0.035 18706 2478 1 18 . 1 1 40 40 LEU CA C 40 58.032 58.032 57.905 0.127 18706 2479 1 18 . 1 1 40 40 LEU CB C 40 41.947 41.947 41.535 0.412 18706 2480 1 18 . 1 1 40 40 LEU H H 40 8.827 8.827 7.529 1.298 18706 2481 1 18 . 1 1 41 41 TRP N N 41 119.815 119.815 121.460 -1.645 18706 2482 1 18 . 1 1 41 41 TRP HA H 41 4.343 4.343 4.399 -0.056 18706 2483 1 18 . 1 1 41 41 TRP CA C 41 62.301 62.301 61.267 1.034 18706 2484 1 18 . 1 1 41 41 TRP CB C 41 27.395 27.395 29.724 -2.329 18706 2485 1 18 . 1 1 41 41 TRP H H 41 8.229 8.229 8.549 -0.320 18706 2486 1 18 . 1 1 42 42 ILE N N 42 118.537 118.537 119.849 -1.312 18706 2487 1 18 . 1 1 42 42 ILE HA H 42 3.051 3.051 3.314 -0.263 18706 2488 1 18 . 1 1 42 42 ILE CA C 42 65.166 65.166 65.498 -0.332 18706 2489 1 18 . 1 1 42 42 ILE CB C 42 37.696 37.696 37.985 -0.289 18706 2490 1 18 . 1 1 42 42 ILE H H 42 8.432 8.432 8.721 -0.289 18706 2491 1 18 . 1 1 43 43 LEU N N 43 118.124 118.124 119.575 -1.451 18706 2492 1 18 . 1 1 43 43 LEU HA H 43 4.005 4.005 3.911 0.094 18706 2493 1 18 . 1 1 43 43 LEU CA C 43 58.472 58.472 57.978 0.494 18706 2494 1 18 . 1 1 43 43 LEU CB C 43 41.942 41.942 41.496 0.446 18706 2495 1 18 . 1 1 43 43 LEU H H 43 8.149 8.149 7.457 0.692 18706 2496 1 18 . 1 1 44 44 ASP N N 44 119.401 119.401 118.439 0.962 18706 2497 1 18 . 1 1 44 44 ASP HA H 44 4.580 4.580 4.471 0.109 18706 2498 1 18 . 1 1 44 44 ASP CA C 44 58.165 58.165 56.935 1.230 18706 2499 1 18 . 1 1 44 44 ASP CB C 44 43.647 43.647 40.238 3.409 18706 2500 1 18 . 1 1 44 44 ASP H H 44 8.572 8.572 7.640 0.932 18706 2501 1 18 . 1 1 45 45 ARG N N 45 115.835 115.835 120.131 -4.296 18706 2502 1 18 . 1 1 45 45 ARG HA H 45 3.954 3.954 4.081 -0.127 18706 2503 1 18 . 1 1 45 45 ARG CA C 45 56.437 56.437 58.576 -2.139 18706 2504 1 18 . 1 1 45 45 ARG CB C 45 29.411 29.411 29.751 -0.340 18706 2505 1 18 . 1 1 45 45 ARG H H 45 7.962 7.962 7.271 0.691 18706 2506 1 18 . 1 1 46 46 LEU N N 46 114.591 114.591 119.236 -4.645 18706 2507 1 18 . 1 1 46 46 LEU HA H 46 3.952 3.952 3.947 0.005 18706 2508 1 18 . 1 1 46 46 LEU CA C 46 56.521 56.521 57.260 -0.739 18706 2509 1 18 . 1 1 46 46 LEU CB C 46 43.024 43.024 42.102 0.922 18706 2510 1 18 . 1 1 46 46 LEU H H 46 8.047 8.047 7.410 0.637 18706 2511 1 18 . 1 1 47 47 PHE N N 47 112.891 112.891 115.187 -2.296 18706 2512 1 18 . 1 1 47 47 PHE HA H 47 4.618 4.618 4.243 0.375 18706 2513 1 18 . 1 1 47 47 PHE CA C 47 59.065 59.065 59.238 -0.173 18706 2514 1 18 . 1 1 47 47 PHE CB C 47 41.119 41.119 39.364 1.755 18706 2515 1 18 . 1 1 47 47 PHE H H 47 8.030 8.030 7.628 0.402 18706 2516 1 18 . 1 1 48 48 PHE N N 48 118.885 118.885 118.011 0.874 18706 2517 1 18 . 1 1 48 48 PHE HA H 48 4.893 4.893 4.684 0.209 18706 2518 1 18 . 1 1 48 48 PHE CA C 48 57.576 57.576 56.580 0.996 18706 2519 1 18 . 1 1 48 48 PHE CB C 48 39.388 39.388 40.167 -0.779 18706 2520 1 18 . 1 1 48 48 PHE H H 48 8.300 8.300 7.316 0.984 18706 2521 1 19 . 1 1 20 20 ASN N N 20 120.297 120.297 122.170 -1.873 18706 2522 1 19 . 1 1 20 20 ASN HA H 20 4.861 4.861 4.551 0.310 18706 2523 1 19 . 1 1 20 20 ASN CA C 20 53.430 53.430 55.052 -1.622 18706 2524 1 19 . 1 1 20 20 ASN CB C 20 38.831 38.831 38.126 0.706 18706 2525 1 19 . 1 1 20 20 ASN H H 20 8.313 8.313 8.667 -0.354 18706 2526 1 19 . 1 1 21 21 ASP N N 21 120.233 120.233 119.489 0.744 18706 2527 1 19 . 1 1 21 21 ASP HA H 21 4.756 4.756 4.522 0.234 18706 2528 1 19 . 1 1 21 21 ASP CA C 21 54.305 54.305 56.442 -2.137 18706 2529 1 19 . 1 1 21 21 ASP CB C 21 41.911 41.911 40.758 1.153 18706 2530 1 19 . 1 1 21 21 ASP H H 21 8.280 8.280 8.464 -0.184 18706 2531 1 19 . 1 1 22 22 SER N N 22 115.690 115.690 114.337 1.353 18706 2532 1 19 . 1 1 22 22 SER HA H 22 4.410 4.410 4.258 0.152 18706 2533 1 19 . 1 1 22 22 SER CA C 22 58.393 58.393 60.007 -1.614 18706 2534 1 19 . 1 1 22 22 SER CB C 22 63.850 63.850 63.373 0.477 18706 2535 1 19 . 1 1 22 22 SER H H 22 8.347 8.347 7.906 0.441 18706 2536 1 19 . 1 1 23 23 SER N N 23 115.951 115.951 118.449 -2.498 18706 2537 1 19 . 1 1 23 23 SER HA H 23 4.330 4.330 4.071 0.259 18706 2538 1 19 . 1 1 23 23 SER CA C 23 58.355 58.355 59.262 -0.907 18706 2539 1 19 . 1 1 23 23 SER CB C 23 63.851 63.851 62.911 0.940 18706 2540 1 19 . 1 1 23 23 SER H H 23 8.235 8.235 7.763 0.472 18706 2541 1 19 . 1 1 24 24 ASP N N 24 124.731 124.731 125.556 -0.825 18706 2542 1 19 . 1 1 24 24 ASP HA H 24 4.827 4.827 4.628 0.199 18706 2543 1 19 . 1 1 24 24 ASP CA C 24 52.224 52.224 53.924 -1.700 18706 2544 1 19 . 1 1 24 24 ASP CB C 24 43.514 43.514 41.168 2.346 18706 2545 1 19 . 1 1 24 24 ASP H H 24 7.963 7.963 8.575 -0.612 18706 2546 1 19 . 1 1 25 25 PRO HA H 25 4.129 4.129 4.322 -0.193 18706 2547 1 19 . 1 1 25 25 PRO CA C 25 65.502 65.502 65.179 0.323 18706 2548 1 19 . 1 1 25 25 PRO CB C 25 32.478 32.478 32.110 0.368 18706 2549 1 19 . 1 1 26 26 LEU N N 26 116.951 116.951 118.398 -1.447 18706 2550 1 19 . 1 1 26 26 LEU HA H 26 4.054 4.054 4.049 0.005 18706 2551 1 19 . 1 1 26 26 LEU CA C 26 57.440 57.440 57.958 -0.518 18706 2552 1 19 . 1 1 26 26 LEU CB C 26 41.242 41.242 41.302 -0.060 18706 2553 1 19 . 1 1 26 26 LEU H H 26 8.240 8.240 8.158 0.082 18706 2554 1 19 . 1 1 27 27 VAL N N 27 118.624 118.624 118.745 -0.121 18706 2555 1 19 . 1 1 27 27 VAL HA H 27 3.447 3.447 3.701 -0.254 18706 2556 1 19 . 1 1 27 27 VAL CA C 27 65.752 65.752 66.064 -0.312 18706 2557 1 19 . 1 1 27 27 VAL CB C 27 25.152 25.152 31.225 -6.073 18706 2558 1 19 . 1 1 27 27 VAL H H 27 7.218 7.218 7.428 -0.210 18706 2559 1 19 . 1 1 28 28 VAL N N 28 118.219 118.219 119.987 -1.768 18706 2560 1 19 . 1 1 28 28 VAL HA H 28 3.501 3.501 3.821 -0.320 18706 2561 1 19 . 1 1 28 28 VAL CA C 28 66.968 66.968 66.135 0.833 18706 2562 1 19 . 1 1 28 28 VAL CB C 28 31.948 31.948 30.899 1.049 18706 2563 1 19 . 1 1 28 28 VAL H H 28 7.866 7.866 7.331 0.535 18706 2564 1 19 . 1 1 29 29 ALA N N 29 117.871 117.871 121.641 -3.770 18706 2565 1 19 . 1 1 29 29 ALA HA H 29 3.859 3.859 4.026 -0.167 18706 2566 1 19 . 1 1 29 29 ALA CA C 29 55.486 55.486 55.157 0.329 18706 2567 1 19 . 1 1 29 29 ALA CB C 29 18.727 18.727 18.136 0.591 18706 2568 1 19 . 1 1 29 29 ALA H H 29 8.348 8.348 8.525 -0.177 18706 2569 1 19 . 1 1 30 30 ALA N N 30 118.323 118.323 121.787 -3.464 18706 2570 1 19 . 1 1 30 30 ALA HA H 30 3.820 3.820 3.884 -0.064 18706 2571 1 19 . 1 1 30 30 ALA CA C 30 55.509 55.509 55.483 0.026 18706 2572 1 19 . 1 1 30 30 ALA CB C 30 18.958 18.958 18.122 0.836 18706 2573 1 19 . 1 1 30 30 ALA H H 30 8.452 8.452 8.365 0.087 18706 2574 1 19 . 1 1 31 31 ASN N N 31 116.443 116.443 116.647 -0.204 18706 2575 1 19 . 1 1 31 31 ASN HA H 31 4.470 4.470 4.428 0.042 18706 2576 1 19 . 1 1 31 31 ASN CA C 31 55.964 55.964 55.986 -0.022 18706 2577 1 19 . 1 1 31 31 ASN CB C 31 37.441 37.441 38.113 -0.672 18706 2578 1 19 . 1 1 31 31 ASN H H 31 8.226 8.226 7.803 0.423 18706 2579 1 19 . 1 1 32 32 ILE N N 32 118.219 118.219 122.077 -3.858 18706 2580 1 19 . 1 1 32 32 ILE HA H 32 3.557 3.557 3.741 -0.184 18706 2581 1 19 . 1 1 32 32 ILE CA C 32 65.529 65.529 65.160 0.369 18706 2582 1 19 . 1 1 32 32 ILE CB C 32 37.736 37.736 37.815 -0.079 18706 2583 1 19 . 1 1 32 32 ILE H H 32 8.055 8.055 7.543 0.512 18706 2584 1 19 . 1 1 33 33 ILE N N 33 120.114 120.114 119.947 0.167 18706 2585 1 19 . 1 1 33 33 ILE HA H 33 3.590 3.590 3.749 -0.159 18706 2586 1 19 . 1 1 33 33 ILE CA C 33 65.111 65.111 64.906 0.205 18706 2587 1 19 . 1 1 33 33 ILE CB C 33 35.842 35.842 36.625 -0.783 18706 2588 1 19 . 1 1 33 33 ILE H H 33 8.753 8.753 8.854 -0.101 18706 2589 1 19 . 1 1 34 34 GLY N N 34 108.895 108.895 108.541 0.354 18706 2590 1 19 . 1 1 34 34 GLY CA C 34 46.649 46.649 47.198 -0.549 18706 2591 1 19 . 1 1 35 35 ILE N N 35 121.351 121.351 123.046 -1.695 18706 2592 1 19 . 1 1 35 35 ILE HA H 35 3.797 3.797 3.732 0.065 18706 2593 1 19 . 1 1 35 35 ILE CA C 35 65.632 65.632 64.795 0.837 18706 2594 1 19 . 1 1 35 35 ILE CB C 35 37.845 37.845 38.134 -0.289 18706 2595 1 19 . 1 1 35 35 ILE H H 35 7.478 7.478 8.193 -0.715 18706 2596 1 19 . 1 1 36 36 LEU N N 36 119.361 119.361 120.654 -1.293 18706 2597 1 19 . 1 1 36 36 LEU HA H 36 3.870 3.870 3.934 -0.064 18706 2598 1 19 . 1 1 36 36 LEU CA C 36 57.867 57.867 57.897 -0.030 18706 2599 1 19 . 1 1 36 36 LEU CB C 36 42.058 42.058 41.407 0.651 18706 2600 1 19 . 1 1 36 36 LEU H H 36 8.726 8.726 8.445 0.281 18706 2601 1 19 . 1 1 37 37 HIS N N 37 116.547 116.547 118.766 -2.219 18706 2602 1 19 . 1 1 37 37 HIS HA H 37 4.112 4.112 4.241 -0.129 18706 2603 1 19 . 1 1 37 37 HIS CA C 37 57.307 57.307 60.140 -2.833 18706 2604 1 19 . 1 1 37 37 HIS CB C 37 30.893 30.893 29.943 0.950 18706 2605 1 19 . 1 1 37 37 HIS H H 37 9.111 9.111 8.017 1.094 18706 2606 1 19 . 1 1 38 38 LEU N N 38 117.109 117.109 120.081 -2.972 18706 2607 1 19 . 1 1 38 38 LEU HA H 38 3.013 3.013 4.247 -1.234 18706 2608 1 19 . 1 1 38 38 LEU CA C 38 58.434 58.434 58.526 -0.092 18706 2609 1 19 . 1 1 38 38 LEU CB C 38 37.761 37.761 42.011 -4.250 18706 2610 1 19 . 1 1 38 38 LEU H H 38 6.860 6.860 7.799 -0.939 18706 2611 1 19 . 1 1 39 39 ILE N N 39 117.022 117.022 119.799 -2.777 18706 2612 1 19 . 1 1 39 39 ILE HA H 39 3.382 3.382 3.692 -0.309 18706 2613 1 19 . 1 1 39 39 ILE CA C 39 65.812 65.812 65.347 0.465 18706 2614 1 19 . 1 1 39 39 ILE CB C 39 37.562 37.562 37.724 -0.162 18706 2615 1 19 . 1 1 39 39 ILE H H 39 7.626 7.626 7.499 0.127 18706 2616 1 19 . 1 1 40 40 LEU N N 40 116.396 116.396 119.477 -3.081 18706 2617 1 19 . 1 1 40 40 LEU HA H 40 4.012 4.012 4.037 -0.025 18706 2618 1 19 . 1 1 40 40 LEU CA C 40 58.032 58.032 57.851 0.181 18706 2619 1 19 . 1 1 40 40 LEU CB C 40 41.947 41.947 40.955 0.992 18706 2620 1 19 . 1 1 40 40 LEU H H 40 8.827 8.827 7.699 1.128 18706 2621 1 19 . 1 1 41 41 TRP N N 41 119.815 119.815 121.642 -1.827 18706 2622 1 19 . 1 1 41 41 TRP HA H 41 4.343 4.343 4.286 0.057 18706 2623 1 19 . 1 1 41 41 TRP CA C 41 62.301 62.301 61.598 0.703 18706 2624 1 19 . 1 1 41 41 TRP CB C 41 27.395 27.395 29.766 -2.371 18706 2625 1 19 . 1 1 41 41 TRP H H 41 8.229 8.229 8.632 -0.403 18706 2626 1 19 . 1 1 42 42 ILE N N 42 118.537 118.537 120.354 -1.817 18706 2627 1 19 . 1 1 42 42 ILE HA H 42 3.051 3.051 3.200 -0.149 18706 2628 1 19 . 1 1 42 42 ILE CA C 42 65.166 65.166 64.570 0.595 18706 2629 1 19 . 1 1 42 42 ILE CB C 42 37.696 37.696 38.064 -0.368 18706 2630 1 19 . 1 1 42 42 ILE H H 42 8.432 8.432 8.776 -0.344 18706 2631 1 19 . 1 1 43 43 LEU N N 43 118.124 118.124 120.700 -2.576 18706 2632 1 19 . 1 1 43 43 LEU HA H 43 4.005 4.005 3.876 0.129 18706 2633 1 19 . 1 1 43 43 LEU CA C 43 58.472 58.472 57.792 0.680 18706 2634 1 19 . 1 1 43 43 LEU CB C 43 41.942 41.942 40.324 1.618 18706 2635 1 19 . 1 1 43 43 LEU H H 43 8.149 8.149 7.474 0.675 18706 2636 1 19 . 1 1 44 44 ASP N N 44 119.401 119.401 119.093 0.308 18706 2637 1 19 . 1 1 44 44 ASP HA H 44 4.580 4.580 4.104 0.476 18706 2638 1 19 . 1 1 44 44 ASP CA C 44 58.165 58.165 57.287 0.878 18706 2639 1 19 . 1 1 44 44 ASP CB C 44 43.647 43.647 40.620 3.027 18706 2640 1 19 . 1 1 44 44 ASP H H 44 8.572 8.572 7.647 0.925 18706 2641 1 19 . 1 1 45 45 ARG N N 45 115.835 115.835 120.266 -4.431 18706 2642 1 19 . 1 1 45 45 ARG HA H 45 3.954 3.954 4.117 -0.163 18706 2643 1 19 . 1 1 45 45 ARG CA C 45 56.437 56.437 58.849 -2.412 18706 2644 1 19 . 1 1 45 45 ARG CB C 45 29.411 29.411 29.787 -0.376 18706 2645 1 19 . 1 1 45 45 ARG H H 45 7.962 7.962 7.305 0.657 18706 2646 1 19 . 1 1 46 46 LEU N N 46 114.591 114.591 119.748 -5.157 18706 2647 1 19 . 1 1 46 46 LEU HA H 46 3.952 3.952 3.929 0.023 18706 2648 1 19 . 1 1 46 46 LEU CA C 46 56.521 56.521 57.372 -0.851 18706 2649 1 19 . 1 1 46 46 LEU CB C 46 43.024 43.024 42.067 0.957 18706 2650 1 19 . 1 1 46 46 LEU H H 46 8.047 8.047 7.659 0.388 18706 2651 1 19 . 1 1 47 47 PHE N N 47 112.891 112.891 116.617 -3.726 18706 2652 1 19 . 1 1 47 47 PHE HA H 47 4.618 4.618 3.886 0.732 18706 2653 1 19 . 1 1 47 47 PHE CA C 47 59.065 59.065 60.854 -1.789 18706 2654 1 19 . 1 1 47 47 PHE CB C 47 41.119 41.119 38.731 2.388 18706 2655 1 19 . 1 1 47 47 PHE H H 47 8.030 8.030 7.693 0.337 18706 2656 1 19 . 1 1 48 48 PHE N N 48 118.885 118.885 115.423 3.462 18706 2657 1 19 . 1 1 48 48 PHE HA H 48 4.893 4.893 4.730 0.163 18706 2658 1 19 . 1 1 48 48 PHE CA C 48 57.576 57.576 55.768 1.808 18706 2659 1 19 . 1 1 48 48 PHE CB C 48 39.388 39.388 40.822 -1.434 18706 2660 1 19 . 1 1 48 48 PHE H H 48 8.300 8.300 7.955 0.345 18706 2661 1 20 . 1 1 20 20 ASN N N 20 120.297 120.297 118.460 1.837 18706 2662 1 20 . 1 1 20 20 ASN HA H 20 4.861 4.861 5.155 -0.294 18706 2663 1 20 . 1 1 20 20 ASN CA C 20 53.430 53.430 53.461 -0.031 18706 2664 1 20 . 1 1 20 20 ASN CB C 20 38.831 38.831 38.946 -0.114 18706 2665 1 20 . 1 1 20 20 ASN H H 20 8.313 8.313 8.441 -0.128 18706 2666 1 20 . 1 1 21 21 ASP N N 21 120.233 120.233 120.384 -0.151 18706 2667 1 20 . 1 1 21 21 ASP HA H 21 4.756 4.756 4.496 0.260 18706 2668 1 20 . 1 1 21 21 ASP CA C 21 54.305 54.305 56.336 -2.031 18706 2669 1 20 . 1 1 21 21 ASP CB C 21 41.911 41.911 40.764 1.147 18706 2670 1 20 . 1 1 21 21 ASP H H 21 8.280 8.280 8.380 -0.100 18706 2671 1 20 . 1 1 22 22 SER N N 22 115.690 115.690 114.506 1.184 18706 2672 1 20 . 1 1 22 22 SER HA H 22 4.410 4.410 4.308 0.102 18706 2673 1 20 . 1 1 22 22 SER CA C 22 58.393 58.393 60.082 -1.689 18706 2674 1 20 . 1 1 22 22 SER CB C 22 63.850 63.850 63.633 0.217 18706 2675 1 20 . 1 1 22 22 SER H H 22 8.347 8.347 8.461 -0.114 18706 2676 1 20 . 1 1 23 23 SER N N 23 115.951 115.951 114.943 1.008 18706 2677 1 20 . 1 1 23 23 SER HA H 23 4.330 4.330 4.521 -0.191 18706 2678 1 20 . 1 1 23 23 SER CA C 23 58.355 58.355 57.538 0.817 18706 2679 1 20 . 1 1 23 23 SER CB C 23 63.851 63.851 64.162 -0.311 18706 2680 1 20 . 1 1 23 23 SER H H 23 8.235 8.235 7.678 0.557 18706 2681 1 20 . 1 1 24 24 ASP N N 24 124.731 124.731 127.792 -3.061 18706 2682 1 20 . 1 1 24 24 ASP HA H 24 4.827 4.827 4.652 0.175 18706 2683 1 20 . 1 1 24 24 ASP CA C 24 52.224 52.224 54.940 -2.716 18706 2684 1 20 . 1 1 24 24 ASP CB C 24 43.514 43.514 41.256 2.258 18706 2685 1 20 . 1 1 24 24 ASP H H 24 7.963 7.963 8.741 -0.778 18706 2686 1 20 . 1 1 25 25 PRO HA H 25 4.129 4.129 4.336 -0.207 18706 2687 1 20 . 1 1 25 25 PRO CA C 25 65.502 65.502 64.838 0.664 18706 2688 1 20 . 1 1 25 25 PRO CB C 25 32.478 32.478 32.048 0.430 18706 2689 1 20 . 1 1 26 26 LEU N N 26 116.951 116.951 120.335 -3.384 18706 2690 1 20 . 1 1 26 26 LEU HA H 26 4.054 4.054 4.109 -0.055 18706 2691 1 20 . 1 1 26 26 LEU CA C 26 57.440 57.440 57.851 -0.411 18706 2692 1 20 . 1 1 26 26 LEU CB C 26 41.242 41.242 41.513 -0.271 18706 2693 1 20 . 1 1 26 26 LEU H H 26 8.240 8.240 8.073 0.167 18706 2694 1 20 . 1 1 27 27 VAL N N 27 118.624 118.624 116.175 2.449 18706 2695 1 20 . 1 1 27 27 VAL HA H 27 3.447 3.447 3.710 -0.263 18706 2696 1 20 . 1 1 27 27 VAL CA C 27 65.752 65.752 65.787 -0.035 18706 2697 1 20 . 1 1 27 27 VAL CB C 27 25.152 25.152 31.165 -6.013 18706 2698 1 20 . 1 1 27 27 VAL H H 27 7.218 7.218 7.389 -0.171 18706 2699 1 20 . 1 1 28 28 VAL N N 28 118.219 118.219 120.877 -2.658 18706 2700 1 20 . 1 1 28 28 VAL HA H 28 3.501 3.501 3.541 -0.040 18706 2701 1 20 . 1 1 28 28 VAL CA C 28 66.968 66.968 66.686 0.282 18706 2702 1 20 . 1 1 28 28 VAL CB C 28 31.948 31.948 31.157 0.791 18706 2703 1 20 . 1 1 28 28 VAL H H 28 7.866 7.866 7.402 0.464 18706 2704 1 20 . 1 1 29 29 ALA N N 29 117.871 117.871 121.277 -3.406 18706 2705 1 20 . 1 1 29 29 ALA HA H 29 3.859 3.859 3.982 -0.123 18706 2706 1 20 . 1 1 29 29 ALA CA C 29 55.486 55.486 55.161 0.325 18706 2707 1 20 . 1 1 29 29 ALA CB C 29 18.727 18.727 18.011 0.716 18706 2708 1 20 . 1 1 29 29 ALA H H 29 8.348 8.348 7.894 0.454 18706 2709 1 20 . 1 1 30 30 ALA N N 30 118.323 118.323 121.086 -2.763 18706 2710 1 20 . 1 1 30 30 ALA HA H 30 3.820 3.820 3.951 -0.131 18706 2711 1 20 . 1 1 30 30 ALA CA C 30 55.509 55.509 55.226 0.283 18706 2712 1 20 . 1 1 30 30 ALA CB C 30 18.958 18.958 18.197 0.761 18706 2713 1 20 . 1 1 30 30 ALA H H 30 8.452 8.452 7.905 0.547 18706 2714 1 20 . 1 1 31 31 ASN N N 31 116.443 116.443 117.621 -1.178 18706 2715 1 20 . 1 1 31 31 ASN HA H 31 4.470 4.470 4.462 0.008 18706 2716 1 20 . 1 1 31 31 ASN CA C 31 55.964 55.964 56.012 -0.048 18706 2717 1 20 . 1 1 31 31 ASN CB C 31 37.441 37.441 38.182 -0.741 18706 2718 1 20 . 1 1 31 31 ASN H H 31 8.226 8.226 7.724 0.502 18706 2719 1 20 . 1 1 32 32 ILE N N 32 118.219 118.219 121.160 -2.941 18706 2720 1 20 . 1 1 32 32 ILE HA H 32 3.557 3.557 3.711 -0.154 18706 2721 1 20 . 1 1 32 32 ILE CA C 32 65.529 65.529 65.537 -0.008 18706 2722 1 20 . 1 1 32 32 ILE CB C 32 37.736 37.736 37.922 -0.186 18706 2723 1 20 . 1 1 32 32 ILE H H 32 8.055 8.055 7.651 0.404 18706 2724 1 20 . 1 1 33 33 ILE N N 33 120.114 120.114 119.965 0.149 18706 2725 1 20 . 1 1 33 33 ILE HA H 33 3.590 3.590 3.658 -0.068 18706 2726 1 20 . 1 1 33 33 ILE CA C 33 65.111 65.111 65.646 -0.535 18706 2727 1 20 . 1 1 33 33 ILE CB C 33 35.842 35.842 37.519 -1.677 18706 2728 1 20 . 1 1 33 33 ILE H H 33 8.753 8.753 8.397 0.356 18706 2729 1 20 . 1 1 34 34 GLY N N 34 108.895 108.895 108.199 0.696 18706 2730 1 20 . 1 1 34 34 GLY CA C 34 46.649 46.649 47.234 -0.585 18706 2731 1 20 . 1 1 35 35 ILE N N 35 121.351 121.351 122.953 -1.602 18706 2732 1 20 . 1 1 35 35 ILE HA H 35 3.797 3.797 3.700 0.097 18706 2733 1 20 . 1 1 35 35 ILE CA C 35 65.632 65.632 64.906 0.727 18706 2734 1 20 . 1 1 35 35 ILE CB C 35 37.845 37.845 38.024 -0.179 18706 2735 1 20 . 1 1 35 35 ILE H H 35 7.478 7.478 7.703 -0.225 18706 2736 1 20 . 1 1 36 36 LEU N N 36 119.361 119.361 119.499 -0.138 18706 2737 1 20 . 1 1 36 36 LEU HA H 36 3.870 3.870 3.868 0.002 18706 2738 1 20 . 1 1 36 36 LEU CA C 36 57.867 57.867 58.142 -0.274 18706 2739 1 20 . 1 1 36 36 LEU CB C 36 42.058 42.058 41.390 0.668 18706 2740 1 20 . 1 1 36 36 LEU H H 36 8.726 8.726 8.076 0.650 18706 2741 1 20 . 1 1 37 37 HIS N N 37 116.547 116.547 119.128 -2.581 18706 2742 1 20 . 1 1 37 37 HIS HA H 37 4.112 4.112 4.246 -0.134 18706 2743 1 20 . 1 1 37 37 HIS CA C 37 57.307 57.307 60.181 -2.873 18706 2744 1 20 . 1 1 37 37 HIS CB C 37 30.893 30.893 30.031 0.862 18706 2745 1 20 . 1 1 37 37 HIS H H 37 9.111 9.111 7.982 1.129 18706 2746 1 20 . 1 1 38 38 LEU N N 38 117.109 117.109 119.934 -2.825 18706 2747 1 20 . 1 1 38 38 LEU HA H 38 3.013 3.013 4.251 -1.238 18706 2748 1 20 . 1 1 38 38 LEU CA C 38 58.434 58.434 58.510 -0.076 18706 2749 1 20 . 1 1 38 38 LEU CB C 38 37.761 37.761 42.009 -4.248 18706 2750 1 20 . 1 1 38 38 LEU H H 38 6.860 6.860 7.761 -0.901 18706 2751 1 20 . 1 1 39 39 ILE N N 39 117.022 117.022 119.930 -2.908 18706 2752 1 20 . 1 1 39 39 ILE HA H 39 3.382 3.382 3.678 -0.296 18706 2753 1 20 . 1 1 39 39 ILE CA C 39 65.812 65.812 65.426 0.386 18706 2754 1 20 . 1 1 39 39 ILE CB C 39 37.562 37.562 37.730 -0.168 18706 2755 1 20 . 1 1 39 39 ILE H H 39 7.626 7.626 7.479 0.147 18706 2756 1 20 . 1 1 40 40 LEU N N 40 116.396 116.396 119.596 -3.200 18706 2757 1 20 . 1 1 40 40 LEU HA H 40 4.012 4.012 4.089 -0.077 18706 2758 1 20 . 1 1 40 40 LEU CA C 40 58.032 58.032 58.483 -0.451 18706 2759 1 20 . 1 1 40 40 LEU CB C 40 41.947 41.947 41.368 0.579 18706 2760 1 20 . 1 1 40 40 LEU H H 40 8.827 8.827 7.745 1.082 18706 2761 1 20 . 1 1 41 41 TRP N N 41 119.815 119.815 121.181 -1.366 18706 2762 1 20 . 1 1 41 41 TRP HA H 41 4.343 4.343 4.278 0.065 18706 2763 1 20 . 1 1 41 41 TRP CA C 41 62.301 62.301 61.895 0.406 18706 2764 1 20 . 1 1 41 41 TRP CB C 41 27.395 27.395 29.675 -2.280 18706 2765 1 20 . 1 1 41 41 TRP H H 41 8.229 8.229 8.606 -0.377 18706 2766 1 20 . 1 1 42 42 ILE N N 42 118.537 118.537 119.966 -1.429 18706 2767 1 20 . 1 1 42 42 ILE HA H 42 3.051 3.051 3.191 -0.140 18706 2768 1 20 . 1 1 42 42 ILE CA C 42 65.166 65.166 64.480 0.686 18706 2769 1 20 . 1 1 42 42 ILE CB C 42 37.696 37.696 38.155 -0.459 18706 2770 1 20 . 1 1 42 42 ILE H H 42 8.432 8.432 8.865 -0.433 18706 2771 1 20 . 1 1 43 43 LEU N N 43 118.124 118.124 120.983 -2.859 18706 2772 1 20 . 1 1 43 43 LEU HA H 43 4.005 4.005 3.918 0.087 18706 2773 1 20 . 1 1 43 43 LEU CA C 43 58.472 58.472 58.457 0.015 18706 2774 1 20 . 1 1 43 43 LEU CB C 43 41.942 41.942 41.762 0.180 18706 2775 1 20 . 1 1 43 43 LEU H H 43 8.149 8.149 7.866 0.283 18706 2776 1 20 . 1 1 44 44 ASP N N 44 119.401 119.401 119.198 0.203 18706 2777 1 20 . 1 1 44 44 ASP HA H 44 4.580 4.580 4.363 0.217 18706 2778 1 20 . 1 1 44 44 ASP CA C 44 58.165 58.165 57.481 0.684 18706 2779 1 20 . 1 1 44 44 ASP CB C 44 43.647 43.647 40.593 3.054 18706 2780 1 20 . 1 1 44 44 ASP H H 44 8.572 8.572 8.077 0.495 18706 2781 1 20 . 1 1 45 45 ARG N N 45 115.835 115.835 118.661 -2.826 18706 2782 1 20 . 1 1 45 45 ARG HA H 45 3.954 3.954 4.338 -0.384 18706 2783 1 20 . 1 1 45 45 ARG CA C 45 56.437 56.437 57.650 -1.213 18706 2784 1 20 . 1 1 45 45 ARG CB C 45 29.411 29.411 29.950 -0.539 18706 2785 1 20 . 1 1 45 45 ARG H H 45 7.962 7.962 7.334 0.628 18706 2786 1 20 . 1 1 46 46 LEU N N 46 114.591 114.591 120.686 -6.095 18706 2787 1 20 . 1 1 46 46 LEU HA H 46 3.952 3.952 3.954 -0.002 18706 2788 1 20 . 1 1 46 46 LEU CA C 46 56.521 56.521 57.846 -1.325 18706 2789 1 20 . 1 1 46 46 LEU CB C 46 43.024 43.024 41.993 1.031 18706 2790 1 20 . 1 1 46 46 LEU H H 46 8.047 8.047 7.783 0.264 18706 2791 1 20 . 1 1 47 47 PHE N N 47 112.891 112.891 115.289 -2.398 18706 2792 1 20 . 1 1 47 47 PHE HA H 47 4.618 4.618 4.344 0.274 18706 2793 1 20 . 1 1 47 47 PHE CA C 47 59.065 59.065 61.483 -2.418 18706 2794 1 20 . 1 1 47 47 PHE CB C 47 41.119 41.119 40.047 1.072 18706 2795 1 20 . 1 1 47 47 PHE H H 47 8.030 8.030 7.690 0.340 18706 2796 1 20 . 1 1 48 48 PHE N N 48 118.885 118.885 117.302 1.583 18706 2797 1 20 . 1 1 48 48 PHE HA H 48 4.893 4.893 4.739 0.153 18706 2798 1 20 . 1 1 48 48 PHE CA C 48 57.576 57.576 57.348 0.228 18706 2799 1 20 . 1 1 48 48 PHE CB C 48 39.388 39.388 40.555 -1.167 18706 2800 1 20 . 1 1 48 48 PHE H H 48 8.300 8.300 8.066 0.234 18706 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 28 2.551 1.687 1.949 18706 2 1 1 "Average Difference" HA 30 0.297 0.070 0.294 18706 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18706 4 1 1 "Average Difference" CA 29 0.977 0.129 0.986 18706 5 1 1 "Average Difference" CB 28 1.747 -0.003 1.779 18706 6 1 1 "Average Difference" HN 27 0.535 -0.177 0.514 18706 7 1 2 "Average Difference" N 28 2.463 1.375 2.081 18706 8 1 2 "Average Difference" HA 30 0.310 0.046 0.312 18706 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18706 10 1 2 "Average Difference" CA 29 1.014 0.234 1.004 18706 11 1 2 "Average Difference" CB 28 1.890 0.087 1.923 18706 12 1 2 "Average Difference" HN 27 0.546 -0.192 0.521 18706 13 1 3 "Average Difference" N 28 2.304 1.607 1.682 18706 14 1 3 "Average Difference" HA 30 0.300 0.047 0.301 18706 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18706 16 1 3 "Average Difference" CA 29 1.011 0.117 1.022 18706 17 1 3 "Average Difference" CB 28 1.934 0.067 1.968 18706 18 1 3 "Average Difference" HN 27 0.546 -0.213 0.513 18706 19 1 4 "Average Difference" N 28 2.640 1.412 2.272 18706 20 1 4 "Average Difference" HA 30 0.299 0.053 0.299 18706 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18706 22 1 4 "Average Difference" CA 29 1.043 0.186 1.045 18706 23 1 4 "Average Difference" CB 28 1.870 0.065 1.903 18706 24 1 4 "Average Difference" HN 27 0.542 -0.227 0.502 18706 25 1 5 "Average Difference" N 28 2.548 1.731 1.904 18706 26 1 5 "Average Difference" HA 30 0.313 0.015 0.318 18706 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18706 28 1 5 "Average Difference" CA 29 0.975 0.034 0.992 18706 29 1 5 "Average Difference" CB 28 1.920 0.031 1.955 18706 30 1 5 "Average Difference" HN 27 0.682 -0.249 0.647 18706 31 1 6 "Average Difference" N 28 2.470 1.673 1.851 18706 32 1 6 "Average Difference" HA 30 0.286 0.045 0.287 18706 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18706 34 1 6 "Average Difference" CA 29 0.997 0.133 1.006 18706 35 1 6 "Average Difference" CB 28 1.870 0.046 1.904 18706 36 1 6 "Average Difference" HN 27 0.505 -0.129 0.498 18706 37 1 7 "Average Difference" N 28 2.160 1.349 1.719 18706 38 1 7 "Average Difference" HA 30 0.283 0.057 0.282 18706 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18706 40 1 7 "Average Difference" CA 29 1.243 0.154 1.255 18706 41 1 7 "Average Difference" CB 28 1.773 0.014 1.805 18706 42 1 7 "Average Difference" HN 27 0.513 -0.153 0.499 18706 43 1 8 "Average Difference" N 28 2.424 1.079 2.210 18706 44 1 8 "Average Difference" HA 30 0.310 0.061 0.309 18706 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18706 46 1 8 "Average Difference" CA 29 1.105 0.140 1.116 18706 47 1 8 "Average Difference" CB 28 1.908 0.217 1.930 18706 48 1 8 "Average Difference" HN 27 0.547 -0.153 0.535 18706 49 1 9 "Average Difference" N 28 2.293 1.632 1.640 18706 50 1 9 "Average Difference" HA 30 0.295 0.043 0.297 18706 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18706 52 1 9 "Average Difference" CA 29 1.103 0.155 1.111 18706 53 1 9 "Average Difference" CB 28 1.973 -0.150 2.004 18706 54 1 9 "Average Difference" HN 27 0.631 -0.201 0.610 18706 55 1 10 "Average Difference" N 28 2.472 1.534 1.974 18706 56 1 10 "Average Difference" HA 30 0.302 0.035 0.305 18706 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18706 58 1 10 "Average Difference" CA 29 1.032 0.232 1.023 18706 59 1 10 "Average Difference" CB 28 1.772 0.108 1.801 18706 60 1 10 "Average Difference" HN 27 0.557 -0.147 0.548 18706 61 1 11 "Average Difference" N 28 2.141 1.460 1.595 18706 62 1 11 "Average Difference" HA 30 0.284 0.060 0.282 18706 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 18706 64 1 11 "Average Difference" CA 29 0.989 0.169 0.992 18706 65 1 11 "Average Difference" CB 28 1.842 0.029 1.876 18706 66 1 11 "Average Difference" HN 27 0.565 -0.183 0.545 18706 67 1 12 "Average Difference" N 28 2.282 1.544 1.711 18706 68 1 12 "Average Difference" HA 30 0.287 0.065 0.285 18706 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 18706 70 1 12 "Average Difference" CA 29 0.949 0.203 0.944 18706 71 1 12 "Average Difference" CB 28 1.864 0.158 1.892 18706 72 1 12 "Average Difference" HN 27 0.516 -0.110 0.514 18706 73 1 13 "Average Difference" N 28 2.629 1.403 2.264 18706 74 1 13 "Average Difference" HA 30 0.311 0.038 0.314 18706 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 18706 76 1 13 "Average Difference" CA 29 1.000 0.242 0.987 18706 77 1 13 "Average Difference" CB 28 1.893 0.173 1.920 18706 78 1 13 "Average Difference" HN 27 0.545 -0.214 0.510 18706 79 1 14 "Average Difference" N 28 2.417 1.514 1.918 18706 80 1 14 "Average Difference" HA 30 0.312 0.027 0.316 18706 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 18706 82 1 14 "Average Difference" CA 29 1.299 0.336 1.277 18706 83 1 14 "Average Difference" CB 28 1.902 -0.058 1.936 18706 84 1 14 "Average Difference" HN 27 0.582 -0.243 0.538 18706 85 1 15 "Average Difference" N 28 2.291 1.064 2.066 18706 86 1 15 "Average Difference" HA 30 0.290 0.060 0.289 18706 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 18706 88 1 15 "Average Difference" CA 29 0.998 0.284 0.973 18706 89 1 15 "Average Difference" CB 28 1.847 0.038 1.881 18706 90 1 15 "Average Difference" HN 27 0.507 -0.165 0.489 18706 91 1 16 "Average Difference" N 28 2.185 1.412 1.698 18706 92 1 16 "Average Difference" HA 30 0.285 0.064 0.282 18706 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 18706 94 1 16 "Average Difference" CA 29 0.929 0.129 0.936 18706 95 1 16 "Average Difference" CB 28 1.872 0.087 1.905 18706 96 1 16 "Average Difference" HN 27 0.572 -0.209 0.543 18706 97 1 17 "Average Difference" N 28 2.376 1.312 2.017 18706 98 1 17 "Average Difference" HA 30 0.311 0.039 0.314 18706 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 18706 100 1 17 "Average Difference" CA 29 1.116 0.231 1.111 18706 101 1 17 "Average Difference" CB 28 1.840 0.120 1.869 18706 102 1 17 "Average Difference" HN 27 0.514 -0.131 0.506 18706 103 1 18 "Average Difference" N 28 2.275 1.694 1.547 18706 104 1 18 "Average Difference" HA 30 0.270 0.057 0.269 18706 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 18706 106 1 18 "Average Difference" CA 29 0.936 0.164 0.938 18706 107 1 18 "Average Difference" CB 28 1.844 0.108 1.874 18706 108 1 18 "Average Difference" HN 27 0.599 -0.192 0.578 18706 109 1 19 "Average Difference" N 28 2.538 1.679 1.938 18706 110 1 19 "Average Difference" HA 30 0.326 0.009 0.332 18706 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 18706 112 1 19 "Average Difference" CA 29 1.165 0.316 1.141 18706 113 1 19 "Average Difference" CB 28 1.847 -0.076 1.879 18706 114 1 19 "Average Difference" HN 27 0.549 -0.166 0.534 18706 115 1 20 "Average Difference" N 28 2.471 1.452 2.036 18706 116 1 20 "Average Difference" HA 30 0.290 0.067 0.287 18706 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 18706 118 1 20 "Average Difference" CA 29 1.114 0.387 1.063 18706 119 1 20 "Average Difference" CB 28 1.756 0.164 1.781 18706 120 1 20 "Average Difference" HN 27 0.521 -0.203 0.489 18706 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 18706 _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 20 20 ASN N N 20 120.297 120.297 120.815 -0.518 18706 2 1 . 1 1 20 20 ASN HA H 20 4.861 4.861 4.685 0.176 18706 3 1 . 1 1 20 20 ASN CA C 20 53.430 53.430 53.999 -0.569 18706 4 1 . 1 1 20 20 ASN CB C 20 38.831 38.831 38.582 0.249 18706 5 1 . 1 1 20 20 ASN H H 20 8.313 8.313 8.527 -0.214 18706 6 1 . 1 1 21 21 ASP N N 21 120.233 120.233 118.724 1.509 18706 7 1 . 1 1 21 21 ASP HA H 21 4.756 4.756 4.543 0.213 18706 8 1 . 1 1 21 21 ASP CA C 21 54.305 54.305 55.449 -1.144 18706 9 1 . 1 1 21 21 ASP CB C 21 41.911 41.911 40.476 1.435 18706 10 1 . 1 1 21 21 ASP H H 21 8.280 8.280 8.534 -0.254 18706 11 1 . 1 1 22 22 SER N N 22 115.690 115.690 114.530 1.160 18706 12 1 . 1 1 22 22 SER HA H 22 4.410 4.410 4.285 0.125 18706 13 1 . 1 1 22 22 SER CA C 22 58.393 58.393 60.136 -1.742 18706 14 1 . 1 1 22 22 SER CB C 22 63.850 63.850 63.536 0.314 18706 15 1 . 1 1 22 22 SER H H 22 8.347 8.347 7.979 0.368 18706 16 1 . 1 1 23 23 SER N N 23 115.951 115.951 116.173 -0.222 18706 17 1 . 1 1 23 23 SER HA H 23 4.330 4.330 4.514 -0.183 18706 18 1 . 1 1 23 23 SER CA C 23 58.355 58.355 57.838 0.517 18706 19 1 . 1 1 23 23 SER CB C 23 63.851 63.851 64.357 -0.506 18706 20 1 . 1 1 23 23 SER H H 23 8.235 8.235 7.681 0.554 18706 21 1 . 1 1 24 24 ASP N N 24 124.731 124.731 126.456 -1.725 18706 22 1 . 1 1 24 24 ASP HA H 24 4.827 4.827 4.825 0.002 18706 23 1 . 1 1 24 24 ASP CA C 24 52.224 52.224 52.983 -0.759 18706 24 1 . 1 1 24 24 ASP CB C 24 43.514 43.514 41.270 2.244 18706 25 1 . 1 1 24 24 ASP H H 24 7.963 7.963 8.382 -0.419 18706 26 1 . 1 1 25 25 PRO HA H 25 4.129 4.129 4.282 -0.153 18706 27 1 . 1 1 25 25 PRO CA C 25 65.502 65.502 65.203 0.299 18706 28 1 . 1 1 25 25 PRO CB C 25 32.478 32.478 32.016 0.462 18706 29 1 . 1 1 26 26 LEU N N 26 116.951 116.951 118.470 -1.519 18706 30 1 . 1 1 26 26 LEU HA H 26 4.054 4.054 4.092 -0.038 18706 31 1 . 1 1 26 26 LEU CA C 26 57.440 57.440 58.010 -0.570 18706 32 1 . 1 1 26 26 LEU CB C 26 41.242 41.242 41.334 -0.092 18706 33 1 . 1 1 26 26 LEU H H 26 8.240 8.240 8.256 -0.016 18706 34 1 . 1 1 27 27 VAL N N 27 118.624 118.624 118.414 0.210 18706 35 1 . 1 1 27 27 VAL HA H 27 3.447 3.447 3.650 -0.203 18706 36 1 . 1 1 27 27 VAL CA C 27 65.752 65.752 66.271 -0.519 18706 37 1 . 1 1 27 27 VAL CB C 27 25.152 25.152 31.194 -6.042 18706 38 1 . 1 1 27 27 VAL H H 27 7.218 7.218 7.493 -0.275 18706 39 1 . 1 1 28 28 VAL N N 28 118.219 118.219 119.676 -1.458 18706 40 1 . 1 1 28 28 VAL HA H 28 3.501 3.501 3.642 -0.141 18706 41 1 . 1 1 28 28 VAL CA C 28 66.968 66.968 66.388 0.580 18706 42 1 . 1 1 28 28 VAL CB C 28 31.948 31.948 31.033 0.915 18706 43 1 . 1 1 28 28 VAL H H 28 7.866 7.866 7.545 0.321 18706 44 1 . 1 1 29 29 ALA N N 29 117.871 117.871 121.798 -3.927 18706 45 1 . 1 1 29 29 ALA HA H 29 3.859 3.859 3.985 -0.126 18706 46 1 . 1 1 29 29 ALA CA C 29 55.486 55.486 55.261 0.225 18706 47 1 . 1 1 29 29 ALA CB C 29 18.727 18.727 18.017 0.709 18706 48 1 . 1 1 29 29 ALA H H 29 8.348 8.348 8.369 -0.021 18706 49 1 . 1 1 30 30 ALA N N 30 118.323 118.323 121.124 -2.801 18706 50 1 . 1 1 30 30 ALA HA H 30 3.820 3.820 3.938 -0.118 18706 51 1 . 1 1 30 30 ALA CA C 30 55.509 55.509 55.264 0.245 18706 52 1 . 1 1 30 30 ALA CB C 30 18.958 18.958 18.196 0.762 18706 53 1 . 1 1 30 30 ALA H H 30 8.452 8.452 8.323 0.129 18706 54 1 . 1 1 31 31 ASN N N 31 116.443 116.443 117.560 -1.117 18706 55 1 . 1 1 31 31 ASN HA H 31 4.470 4.470 4.465 0.005 18706 56 1 . 1 1 31 31 ASN CA C 31 55.964 55.964 56.049 -0.085 18706 57 1 . 1 1 31 31 ASN CB C 31 37.441 37.441 38.402 -0.961 18706 58 1 . 1 1 31 31 ASN H H 31 8.226 8.226 7.784 0.442 18706 59 1 . 1 1 32 32 ILE N N 32 118.219 118.219 121.193 -2.974 18706 60 1 . 1 1 32 32 ILE HA H 32 3.557 3.557 3.713 -0.156 18706 61 1 . 1 1 32 32 ILE CA C 32 65.529 65.529 65.315 0.214 18706 62 1 . 1 1 32 32 ILE CB C 32 37.736 37.736 37.851 -0.116 18706 63 1 . 1 1 32 32 ILE H H 32 8.055 8.055 7.909 0.146 18706 64 1 . 1 1 33 33 ILE N N 33 120.114 120.114 119.968 0.146 18706 65 1 . 1 1 33 33 ILE HA H 33 3.590 3.590 3.710 -0.120 18706 66 1 . 1 1 33 33 ILE CA C 33 65.111 65.111 65.296 -0.185 18706 67 1 . 1 1 33 33 ILE CB C 33 35.842 35.842 37.233 -1.391 18706 68 1 . 1 1 33 33 ILE H H 33 8.753 8.753 8.499 0.254 18706 69 1 . 1 1 34 34 GLY N N 34 108.895 108.895 108.499 0.396 18706 70 1 . 1 1 34 34 GLY CA C 34 46.649 46.649 47.278 -0.629 18706 71 1 . 1 1 35 35 ILE N N 35 121.351 121.351 122.903 -1.552 18706 72 1 . 1 1 35 35 ILE HA H 35 3.797 3.797 3.755 0.043 18706 73 1 . 1 1 35 35 ILE CA C 35 65.632 65.632 64.544 1.088 18706 74 1 . 1 1 35 35 ILE CB C 35 37.845 37.845 37.987 -0.142 18706 75 1 . 1 1 35 35 ILE H H 35 7.478 7.478 7.926 -0.448 18706 76 1 . 1 1 36 36 LEU N N 36 119.361 119.361 120.399 -1.038 18706 77 1 . 1 1 36 36 LEU HA H 36 3.870 3.870 3.913 -0.043 18706 78 1 . 1 1 36 36 LEU CA C 36 57.867 57.867 58.020 -0.153 18706 79 1 . 1 1 36 36 LEU CB C 36 42.058 42.058 41.447 0.611 18706 80 1 . 1 1 36 36 LEU H H 36 8.726 8.726 8.248 0.478 18706 81 1 . 1 1 37 37 HIS N N 37 116.547 116.547 118.848 -2.301 18706 82 1 . 1 1 37 37 HIS HA H 37 4.112 4.112 4.250 -0.138 18706 83 1 . 1 1 37 37 HIS CA C 37 57.307 57.307 60.161 -2.854 18706 84 1 . 1 1 37 37 HIS CB C 37 30.893 30.893 29.987 0.906 18706 85 1 . 1 1 37 37 HIS H H 37 9.111 9.111 8.134 0.977 18706 86 1 . 1 1 38 38 LEU N N 38 117.109 117.109 120.132 -3.023 18706 87 1 . 1 1 38 38 LEU HA H 38 3.013 3.013 4.244 -1.231 18706 88 1 . 1 1 38 38 LEU CA C 38 58.434 58.434 58.491 -0.057 18706 89 1 . 1 1 38 38 LEU CB C 38 37.761 37.761 42.026 -4.266 18706 90 1 . 1 1 38 38 LEU H H 38 6.860 6.860 7.803 -0.943 18706 91 1 . 1 1 39 39 ILE N N 39 117.022 117.022 119.749 -2.727 18706 92 1 . 1 1 39 39 ILE HA H 39 3.382 3.382 3.681 -0.299 18706 93 1 . 1 1 39 39 ILE CA C 39 65.812 65.812 65.460 0.351 18706 94 1 . 1 1 39 39 ILE CB C 39 37.562 37.562 37.735 -0.173 18706 95 1 . 1 1 39 39 ILE H H 39 7.626 7.626 7.541 0.085 18706 96 1 . 1 1 40 40 LEU N N 40 116.396 116.396 119.862 -3.466 18706 97 1 . 1 1 40 40 LEU HA H 40 4.012 4.012 4.044 -0.032 18706 98 1 . 1 1 40 40 LEU CA C 40 58.032 58.032 57.950 0.082 18706 99 1 . 1 1 40 40 LEU CB C 40 41.947 41.947 41.424 0.523 18706 100 1 . 1 1 40 40 LEU H H 40 8.827 8.827 7.698 1.129 18706 101 1 . 1 1 41 41 TRP N N 41 119.815 119.815 121.427 -1.612 18706 102 1 . 1 1 41 41 TRP HA H 41 4.343 4.343 4.349 -0.006 18706 103 1 . 1 1 41 41 TRP CA C 41 62.301 62.301 61.491 0.810 18706 104 1 . 1 1 41 41 TRP CB C 41 27.395 27.395 29.779 -2.384 18706 105 1 . 1 1 41 41 TRP H H 41 8.229 8.229 8.627 -0.398 18706 106 1 . 1 1 42 42 ILE N N 42 118.537 118.537 119.816 -1.279 18706 107 1 . 1 1 42 42 ILE HA H 42 3.051 3.051 3.263 -0.212 18706 108 1 . 1 1 42 42 ILE CA C 42 65.166 65.166 64.764 0.402 18706 109 1 . 1 1 42 42 ILE CB C 42 37.696 37.696 37.926 -0.230 18706 110 1 . 1 1 42 42 ILE H H 42 8.432 8.432 8.797 -0.365 18706 111 1 . 1 1 43 43 LEU N N 43 118.124 118.124 120.436 -2.312 18706 112 1 . 1 1 43 43 LEU HA H 43 4.005 4.005 3.896 0.109 18706 113 1 . 1 1 43 43 LEU CA C 43 58.472 58.472 58.055 0.417 18706 114 1 . 1 1 43 43 LEU CB C 43 41.942 41.942 41.349 0.594 18706 115 1 . 1 1 43 43 LEU H H 43 8.149 8.149 7.695 0.454 18706 116 1 . 1 1 44 44 ASP N N 44 119.401 119.401 119.072 0.329 18706 117 1 . 1 1 44 44 ASP HA H 44 4.580 4.580 4.403 0.177 18706 118 1 . 1 1 44 44 ASP CA C 44 58.165 58.165 57.301 0.864 18706 119 1 . 1 1 44 44 ASP CB C 44 43.647 43.647 40.459 3.188 18706 120 1 . 1 1 44 44 ASP H H 44 8.572 8.572 7.986 0.586 18706 121 1 . 1 1 45 45 ARG N N 45 115.835 115.835 118.998 -3.163 18706 122 1 . 1 1 45 45 ARG HA H 45 3.954 3.954 4.142 -0.188 18706 123 1 . 1 1 45 45 ARG CA C 45 56.437 56.437 58.078 -1.641 18706 124 1 . 1 1 45 45 ARG CB C 45 29.411 29.411 29.787 -0.376 18706 125 1 . 1 1 45 45 ARG H H 45 7.962 7.962 7.358 0.604 18706 126 1 . 1 1 46 46 LEU N N 46 114.591 114.591 119.463 -4.872 18706 127 1 . 1 1 46 46 LEU HA H 46 3.952 3.952 3.873 0.079 18706 128 1 . 1 1 46 46 LEU CA C 46 56.521 56.521 57.412 -0.891 18706 129 1 . 1 1 46 46 LEU CB C 46 43.024 43.024 41.854 1.170 18706 130 1 . 1 1 46 46 LEU H H 46 8.047 8.047 7.451 0.596 18706 131 1 . 1 1 47 47 PHE N N 47 112.891 112.891 116.091 -3.200 18706 132 1 . 1 1 47 47 PHE HA H 47 4.618 4.618 4.172 0.446 18706 133 1 . 1 1 47 47 PHE CA C 47 59.065 59.065 59.895 -0.830 18706 134 1 . 1 1 47 47 PHE CB C 47 41.119 41.119 39.176 1.943 18706 135 1 . 1 1 47 47 PHE H H 47 8.030 8.030 7.549 0.481 18706 136 1 . 1 1 48 48 PHE N N 48 118.885 118.885 117.287 1.598 18706 137 1 . 1 1 48 48 PHE HA H 48 4.893 4.893 4.657 0.236 18706 138 1 . 1 1 48 48 PHE CA C 48 57.576 57.576 56.803 0.773 18706 139 1 . 1 1 48 48 PHE CB C 48 39.388 39.388 40.450 -1.062 18706 140 1 . 1 1 48 48 PHE H H 48 8.300 8.300 7.613 0.687 18706 stop_ save_