data_19148 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19148 _Entry.PDB_ID 2M6O 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 19148 _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 29 29 ALA N N 29 125.100 125.100 122.729 2.371 19148 2 1 1 . 1 1 29 29 ALA HA H 29 4.817 4.817 5.101 -0.284 19148 3 1 1 . 1 1 29 29 ALA C C 29 176.438 176.438 175.095 1.343 19148 4 1 1 . 1 1 29 29 ALA CA C 29 51.870 51.870 50.869 1.001 19148 5 1 1 . 1 1 29 29 ALA CB C 29 20.920 20.920 22.662 -1.742 19148 6 1 1 . 1 1 29 29 ALA H H 29 8.267 8.267 7.868 0.399 19148 7 1 1 . 1 1 30 30 VAL N N 30 118.800 118.800 116.535 2.265 19148 8 1 1 . 1 1 30 30 VAL HA H 30 4.350 4.350 4.367 -0.017 19148 9 1 1 . 1 1 30 30 VAL C C 30 173.844 173.844 174.588 -0.744 19148 10 1 1 . 1 1 30 30 VAL CA C 30 60.842 60.842 60.443 0.399 19148 11 1 1 . 1 1 30 30 VAL CB C 30 33.926 33.926 32.907 1.019 19148 12 1 1 . 1 1 30 30 VAL H H 30 8.363 8.363 8.033 0.330 19148 13 1 1 . 1 1 31 31 GLU N N 31 122.726 122.726 125.175 -2.449 19148 14 1 1 . 1 1 31 31 GLU HA H 31 5.020 5.020 4.925 0.095 19148 15 1 1 . 1 1 31 31 GLU C C 31 173.712 173.712 174.601 -0.889 19148 16 1 1 . 1 1 31 31 GLU CA C 31 54.916 54.916 54.232 0.684 19148 17 1 1 . 1 1 31 31 GLU CB C 31 33.679 33.679 32.495 1.183 19148 18 1 1 . 1 1 31 31 GLU H H 31 8.278 8.278 8.535 -0.257 19148 19 1 1 . 1 1 32 32 TYR N N 32 120.248 120.248 125.456 -5.208 19148 20 1 1 . 1 1 32 32 TYR HA H 32 4.731 4.731 4.914 -0.183 19148 21 1 1 . 1 1 32 32 TYR C C 32 174.389 174.389 173.919 0.470 19148 22 1 1 . 1 1 32 32 TYR CA C 32 57.056 57.056 56.138 0.918 19148 23 1 1 . 1 1 32 32 TYR CB C 32 43.063 43.063 41.816 1.247 19148 24 1 1 . 1 1 32 32 TYR H H 32 8.243 8.243 8.968 -0.725 19148 25 1 1 . 1 1 33 33 ALA N N 33 119.054 119.054 124.275 -5.221 19148 26 1 1 . 1 1 33 33 ALA HA H 33 5.734 5.734 5.380 0.354 19148 27 1 1 . 1 1 33 33 ALA C C 33 177.886 177.886 176.175 1.711 19148 28 1 1 . 1 1 33 33 ALA CA C 33 50.635 50.635 49.684 0.950 19148 29 1 1 . 1 1 33 33 ALA CB C 33 22.649 22.649 21.232 1.417 19148 30 1 1 . 1 1 33 33 ALA H H 33 8.613 8.613 9.161 -0.548 19148 31 1 1 . 1 1 34 34 CYS N N 34 124.578 124.578 122.208 2.370 19148 32 1 1 . 1 1 34 34 CYS HA H 34 5.558 5.558 5.055 0.503 19148 33 1 1 . 1 1 34 34 CYS C C 34 177.472 177.472 177.069 0.403 19148 34 1 1 . 1 1 34 34 CYS CA C 34 56.727 56.727 56.255 0.472 19148 35 1 1 . 1 1 34 34 CYS CB C 34 32.362 32.362 29.693 2.669 19148 36 1 1 . 1 1 34 34 CYS H H 34 9.090 9.090 9.279 -0.189 19148 37 1 1 . 1 1 35 35 GLU N N 35 121.981 121.981 119.760 2.221 19148 38 1 1 . 1 1 35 35 GLU HA H 35 4.202 4.202 4.175 0.027 19148 39 1 1 . 1 1 35 35 GLU C C 35 177.190 177.190 177.005 0.185 19148 40 1 1 . 1 1 35 35 GLU CA C 35 59.031 59.031 58.827 0.204 19148 41 1 1 . 1 1 35 35 GLU CB C 35 29.893 29.893 29.063 0.830 19148 42 1 1 . 1 1 35 35 GLU H H 35 8.865 8.865 8.991 -0.126 19148 43 1 1 . 1 1 36 36 LYS N N 36 121.258 121.258 118.719 2.539 19148 44 1 1 . 1 1 36 36 LYS HA H 36 4.273 4.273 4.296 -0.023 19148 45 1 1 . 1 1 36 36 LYS C C 36 176.551 176.551 177.249 -0.698 19148 46 1 1 . 1 1 36 36 LYS CA C 36 55.986 55.986 56.349 -0.363 19148 47 1 1 . 1 1 36 36 LYS CB C 36 32.115 32.115 32.056 0.059 19148 48 1 1 . 1 1 36 36 LYS H H 36 9.341 9.341 7.959 1.382 19148 49 1 1 . 1 1 37 37 GLY N N 37 107.582 107.582 107.492 0.090 19148 50 1 1 . 1 1 37 37 GLY C C 37 174.746 174.746 174.042 0.704 19148 51 1 1 . 1 1 37 37 GLY CA C 37 45.367 45.367 45.020 0.347 19148 52 1 1 . 1 1 37 37 GLY H H 37 7.902 7.902 8.001 -0.099 19148 53 1 1 . 1 1 38 38 HIS N N 38 122.025 122.025 120.822 1.203 19148 54 1 1 . 1 1 38 38 HIS HA H 38 4.905 4.905 4.866 0.039 19148 55 1 1 . 1 1 38 38 HIS C C 38 174.351 174.351 173.754 0.597 19148 56 1 1 . 1 1 38 38 HIS CA C 38 56.644 56.644 55.247 1.397 19148 57 1 1 . 1 1 38 38 HIS CB C 38 30.880 30.880 31.961 -1.081 19148 58 1 1 . 1 1 38 38 HIS H H 38 7.812 7.812 7.883 -0.071 19148 59 1 1 . 1 1 39 39 ARG N N 39 122.401 122.401 124.468 -2.067 19148 60 1 1 . 1 1 39 39 ARG HA H 39 5.717 5.717 5.461 0.256 19148 61 1 1 . 1 1 39 39 ARG C C 39 175.573 175.573 175.278 0.295 19148 62 1 1 . 1 1 39 39 ARG CA C 39 54.863 54.863 54.796 0.067 19148 63 1 1 . 1 1 39 39 ARG CB C 39 33.597 33.597 32.612 0.985 19148 64 1 1 . 1 1 39 39 ARG H H 39 8.473 8.473 8.237 0.236 19148 65 1 1 . 1 1 40 40 PHE N N 40 119.867 119.867 119.349 0.518 19148 66 1 1 . 1 1 40 40 PHE HA H 40 5.104 5.104 5.052 0.052 19148 67 1 1 . 1 1 40 40 PHE C C 40 171.945 171.945 173.063 -1.118 19148 68 1 1 . 1 1 40 40 PHE CA C 40 55.903 55.903 56.053 -0.150 19148 69 1 1 . 1 1 40 40 PHE CB C 40 40.346 40.346 42.761 -2.416 19148 70 1 1 . 1 1 40 40 PHE H H 40 8.531 8.531 8.999 -0.468 19148 71 1 1 . 1 1 41 41 GLU N N 41 118.749 118.749 120.935 -2.186 19148 72 1 1 . 1 1 41 41 GLU HA H 41 5.361 5.361 5.586 -0.225 19148 73 1 1 . 1 1 41 41 GLU C C 41 176.532 176.532 175.380 1.152 19148 74 1 1 . 1 1 41 41 GLU CA C 41 54.175 54.175 54.417 -0.242 19148 75 1 1 . 1 1 41 41 GLU CB C 41 33.103 33.103 32.468 0.635 19148 76 1 1 . 1 1 41 41 GLU H H 41 8.478 8.478 8.772 -0.294 19148 77 1 1 . 1 1 42 42 MET N N 42 121.000 121.000 119.397 1.603 19148 78 1 1 . 1 1 42 42 MET HA H 42 5.148 5.148 5.038 0.110 19148 79 1 1 . 1 1 42 42 MET C C 42 173.862 173.862 173.529 0.333 19148 80 1 1 . 1 1 42 42 MET CA C 42 51.047 51.047 52.613 -1.566 19148 81 1 1 . 1 1 42 42 MET CB C 42 34.914 34.914 36.798 -1.885 19148 82 1 1 . 1 1 42 42 MET H H 42 8.926 8.926 8.789 0.137 19148 83 1 1 . 1 1 43 43 PRO HA H 43 4.978 4.978 4.771 0.207 19148 84 1 1 . 1 1 43 43 PRO C C 43 176.006 176.006 175.526 0.480 19148 85 1 1 . 1 1 43 43 PRO CA C 43 61.739 61.739 62.766 -1.027 19148 86 1 1 . 1 1 43 43 PRO CB C 43 31.292 31.292 31.883 -0.591 19148 87 1 1 . 1 1 44 44 PHE N N 44 119.990 119.990 124.551 -4.561 19148 88 1 1 . 1 1 44 44 PHE HA H 44 4.786 4.786 4.713 0.073 19148 89 1 1 . 1 1 44 44 PHE C C 44 175.216 175.216 175.120 0.096 19148 90 1 1 . 1 1 44 44 PHE CA C 44 56.480 56.480 56.516 -0.036 19148 91 1 1 . 1 1 44 44 PHE CB C 44 42.404 42.404 42.567 -0.163 19148 92 1 1 . 1 1 44 44 PHE H H 44 8.135 8.135 9.137 -1.002 19148 93 1 1 . 1 1 45 45 SER N N 45 116.512 116.512 115.830 0.682 19148 94 1 1 . 1 1 45 45 SER HA H 45 4.596 4.596 4.516 0.080 19148 95 1 1 . 1 1 45 45 SER C C 45 175.742 175.742 175.581 0.161 19148 96 1 1 . 1 1 45 45 SER CA C 45 58.044 58.044 57.222 0.822 19148 97 1 1 . 1 1 45 45 SER CB C 45 63.970 63.970 63.936 0.034 19148 98 1 1 . 1 1 45 45 SER H H 45 8.483 8.483 8.543 -0.060 19148 99 1 1 . 1 1 46 46 VAL N N 46 120.000 120.000 128.258 -8.258 19148 100 1 1 . 1 1 46 46 VAL HA H 46 4.054 4.054 4.045 0.009 19148 101 1 1 . 1 1 46 46 VAL C C 46 176.400 176.400 175.730 0.670 19148 102 1 1 . 1 1 46 46 VAL CA C 46 63.888 63.888 63.489 0.400 19148 103 1 1 . 1 1 46 46 VAL CB C 46 31.950 31.950 32.054 -0.104 19148 104 1 1 . 1 1 46 46 VAL H H 46 8.220 8.220 8.909 -0.689 19148 105 1 1 . 1 1 47 47 GLU N N 47 120.013 120.013 119.049 0.964 19148 106 1 1 . 1 1 47 47 GLU HA H 47 4.247 4.247 4.447 -0.200 19148 107 1 1 . 1 1 47 47 GLU C C 47 176.006 176.006 175.270 0.736 19148 108 1 1 . 1 1 47 47 GLU CA C 47 56.974 56.974 55.217 1.757 19148 109 1 1 . 1 1 47 47 GLU CB C 47 29.481 29.481 29.724 -0.243 19148 110 1 1 . 1 1 47 47 GLU H H 47 8.401 8.401 7.644 0.757 19148 111 1 1 . 1 1 48 48 ALA N N 48 122.458 122.458 122.781 -0.323 19148 112 1 1 . 1 1 48 48 ALA HA H 48 4.353 4.353 4.558 -0.205 19148 113 1 1 . 1 1 48 48 ALA C C 48 176.870 176.870 176.797 0.073 19148 114 1 1 . 1 1 48 48 ALA CA C 48 52.199 52.199 51.284 0.915 19148 115 1 1 . 1 1 48 48 ALA CB C 48 20.591 20.591 20.416 0.175 19148 116 1 1 . 1 1 48 48 ALA H H 48 7.542 7.542 7.299 0.243 19148 117 1 1 . 1 1 49 49 GLU N N 49 119.217 119.217 120.641 -1.424 19148 118 1 1 . 1 1 49 49 GLU HA H 49 4.268 4.268 4.291 -0.023 19148 119 1 1 . 1 1 49 49 GLU C C 49 175.761 175.761 175.748 0.013 19148 120 1 1 . 1 1 49 49 GLU CA C 49 55.903 55.903 55.071 0.832 19148 121 1 1 . 1 1 49 49 GLU CB C 49 30.140 30.140 29.132 1.008 19148 122 1 1 . 1 1 49 49 GLU H H 49 8.061 8.061 8.587 -0.526 19148 123 1 1 . 1 1 50 50 ILE N N 50 126.270 126.270 126.736 -0.466 19148 124 1 1 . 1 1 50 50 ILE HA H 50 3.908 3.908 3.806 0.102 19148 125 1 1 . 1 1 50 50 ILE C C 50 174.483 174.483 174.710 -0.227 19148 126 1 1 . 1 1 50 50 ILE CA C 50 58.126 58.126 57.575 0.551 19148 127 1 1 . 1 1 50 50 ILE CB C 50 38.371 38.371 36.012 2.359 19148 128 1 1 . 1 1 50 50 ILE H H 50 8.152 8.152 7.668 0.484 19148 129 1 1 . 1 1 52 52 PRO HA H 52 4.554 4.554 4.307 0.247 19148 130 1 1 . 1 1 52 52 PRO C C 52 175.742 175.742 175.683 0.059 19148 131 1 1 . 1 1 52 52 PRO CA C 52 64.490 64.490 64.560 -0.070 19148 132 1 1 . 1 1 52 52 PRO CB C 52 32.330 32.330 32.006 0.324 19148 133 1 1 . 1 1 53 53 GLU N N 53 114.593 114.593 113.903 0.690 19148 134 1 1 . 1 1 53 53 GLU HA H 53 5.682 5.682 5.099 0.583 19148 135 1 1 . 1 1 53 53 GLU C C 53 173.844 173.844 174.302 -0.458 19148 136 1 1 . 1 1 53 53 GLU CA C 53 53.906 53.906 54.707 -0.801 19148 137 1 1 . 1 1 53 53 GLU CB C 53 34.008 34.008 32.057 1.951 19148 138 1 1 . 1 1 53 53 GLU H H 53 7.387 7.387 7.595 -0.208 19148 139 1 1 . 1 1 54 54 TRP N N 54 122.688 122.688 122.408 0.280 19148 140 1 1 . 1 1 54 54 TRP HA H 54 4.301 4.301 4.881 -0.580 19148 141 1 1 . 1 1 54 54 TRP C C 54 174.013 174.013 174.199 -0.186 19148 142 1 1 . 1 1 54 54 TRP CA C 54 56.397 56.397 56.294 0.103 19148 143 1 1 . 1 1 54 54 TRP CB C 54 32.444 32.444 32.959 -0.514 19148 144 1 1 . 1 1 54 54 TRP H H 54 9.030 9.030 9.281 -0.251 19148 145 1 1 . 1 1 55 55 GLU N N 55 125.661 125.661 123.498 2.163 19148 146 1 1 . 1 1 55 55 GLU HA H 55 4.063 4.063 4.235 -0.172 19148 147 1 1 . 1 1 55 55 GLU C C 55 175.893 175.893 175.652 0.241 19148 148 1 1 . 1 1 55 55 GLU CA C 55 57.056 57.056 57.393 -0.337 19148 149 1 1 . 1 1 55 55 GLU CB C 55 30.386 30.386 30.597 -0.211 19148 150 1 1 . 1 1 55 55 GLU H H 55 7.143 7.143 8.004 -0.861 19148 151 1 1 . 1 1 56 56 CYS N N 56 126.844 126.844 127.094 -0.250 19148 152 1 1 . 1 1 56 56 CYS HA H 56 4.300 4.300 4.657 -0.357 19148 153 1 1 . 1 1 56 56 CYS C C 56 177.998 177.998 175.209 2.789 19148 154 1 1 . 1 1 56 56 CYS CA C 56 60.925 60.925 58.834 2.091 19148 155 1 1 . 1 1 56 56 CYS CB C 56 30.304 30.304 26.898 3.406 19148 156 1 1 . 1 1 56 56 CYS H H 56 9.476 9.476 8.888 0.588 19148 157 1 1 . 1 1 57 57 LYS N N 57 130.306 130.306 127.530 2.776 19148 158 1 1 . 1 1 57 57 LYS HA H 57 3.874 3.874 4.157 -0.283 19148 159 1 1 . 1 1 57 57 LYS C C 57 175.686 175.686 176.818 -1.132 19148 160 1 1 . 1 1 57 57 LYS CA C 57 57.961 57.961 57.705 0.256 19148 161 1 1 . 1 1 57 57 LYS CB C 57 33.020 33.020 32.075 0.945 19148 162 1 1 . 1 1 57 57 LYS H H 57 5.816 5.816 8.468 -2.652 19148 163 1 1 . 1 1 58 58 VAL N N 58 121.332 121.332 118.742 2.590 19148 164 1 1 . 1 1 58 58 VAL HA H 58 3.707 3.707 3.721 -0.014 19148 165 1 1 . 1 1 58 58 VAL C C 58 177.397 177.397 176.941 0.456 19148 166 1 1 . 1 1 58 58 VAL CA C 58 64.958 64.958 64.769 0.189 19148 167 1 1 . 1 1 58 58 VAL CB C 58 32.436 32.436 32.198 0.238 19148 168 1 1 . 1 1 58 58 VAL H H 58 8.883 8.883 7.402 1.481 19148 169 1 1 . 1 1 59 59 CYS N N 59 117.752 117.752 115.363 2.389 19148 170 1 1 . 1 1 59 59 CYS HA H 59 5.061 5.061 4.741 0.320 19148 171 1 1 . 1 1 59 59 CYS C C 59 176.795 176.795 174.822 1.973 19148 172 1 1 . 1 1 59 59 CYS CA C 59 58.867 58.867 58.820 0.047 19148 173 1 1 . 1 1 59 59 CYS CB C 59 34.255 34.255 30.029 4.226 19148 174 1 1 . 1 1 59 59 CYS H H 59 8.310 8.310 7.957 0.353 19148 175 1 1 . 1 1 60 60 GLY N N 60 113.490 113.490 109.951 3.539 19148 176 1 1 . 1 1 60 60 GLY C C 60 173.110 173.110 172.658 0.452 19148 177 1 1 . 1 1 60 60 GLY CA C 60 46.355 46.355 45.243 1.112 19148 178 1 1 . 1 1 60 60 GLY H H 60 8.078 8.078 7.771 0.307 19148 179 1 1 . 1 1 61 61 ALA N N 61 124.940 124.940 123.745 1.195 19148 180 1 1 . 1 1 61 61 ALA HA H 61 4.518 4.518 4.577 -0.059 19148 181 1 1 . 1 1 61 61 ALA C C 61 175.724 175.724 174.705 1.019 19148 182 1 1 . 1 1 61 61 ALA CA C 61 52.117 52.117 51.901 0.216 19148 183 1 1 . 1 1 61 61 ALA CB C 61 21.167 21.167 20.631 0.536 19148 184 1 1 . 1 1 61 61 ALA H H 61 8.516 8.516 7.871 0.645 19148 185 1 1 . 1 1 62 62 GLN N N 62 118.486 118.486 119.632 -1.146 19148 186 1 1 . 1 1 62 62 GLN HA H 62 4.183 4.183 4.619 -0.436 19148 187 1 1 . 1 1 62 62 GLN C C 62 174.915 174.915 174.688 0.227 19148 188 1 1 . 1 1 62 62 GLN CA C 62 57.632 57.632 55.053 2.579 19148 189 1 1 . 1 1 62 62 GLN CB C 62 29.728 29.728 30.329 -0.601 19148 190 1 1 . 1 1 62 62 GLN H H 62 8.492 8.492 8.541 -0.049 19148 191 1 1 . 1 1 63 63 ALA N N 63 129.224 129.224 129.952 -0.728 19148 192 1 1 . 1 1 63 63 ALA HA H 63 4.926 4.926 5.070 -0.144 19148 193 1 1 . 1 1 63 63 ALA C C 63 175.197 175.197 175.728 -0.531 19148 194 1 1 . 1 1 63 63 ALA CA C 63 50.306 50.306 50.421 -0.115 19148 195 1 1 . 1 1 63 63 ALA CB C 63 21.744 21.744 21.350 0.394 19148 196 1 1 . 1 1 63 63 ALA H H 63 8.863 8.863 9.429 -0.566 19148 197 1 1 . 1 1 64 64 LEU N N 64 121.213 121.213 125.577 -4.364 19148 198 1 1 . 1 1 64 64 LEU HA H 64 5.210 5.210 4.864 0.346 19148 199 1 1 . 1 1 64 64 LEU C C 64 177.322 177.322 176.562 0.760 19148 200 1 1 . 1 1 64 64 LEU CA C 64 53.928 53.928 53.970 -0.042 19148 201 1 1 . 1 1 64 64 LEU CB C 64 44.874 44.874 43.087 1.787 19148 202 1 1 . 1 1 64 64 LEU H H 64 8.137 8.137 9.030 -0.893 19148 203 1 1 . 1 1 65 65 LEU N N 65 123.951 123.951 125.871 -1.920 19148 204 1 1 . 1 1 65 65 LEU HA H 65 3.655 3.655 4.316 -0.661 19148 205 1 1 . 1 1 65 65 LEU C C 65 177.058 177.058 176.056 1.002 19148 206 1 1 . 1 1 65 65 LEU CA C 65 55.739 55.739 54.084 1.655 19148 207 1 1 . 1 1 65 65 LEU CB C 65 43.145 43.145 41.990 1.155 19148 208 1 1 . 1 1 65 65 LEU H H 65 7.619 7.619 8.536 -0.917 19148 209 1 1 . 1 1 66 66 VAL N N 66 127.050 127.050 121.178 5.872 19148 210 1 1 . 1 1 66 66 VAL HA H 66 3.928 3.928 4.377 -0.449 19148 211 1 1 . 1 1 66 66 VAL C C 66 175.536 175.536 175.427 0.109 19148 212 1 1 . 1 1 66 66 VAL CA C 66 62.735 62.735 60.890 1.845 19148 213 1 1 . 1 1 66 66 VAL CB C 66 32.280 32.280 34.382 -2.102 19148 214 1 1 . 1 1 66 66 VAL H H 66 8.392 8.392 8.706 -0.314 19148 215 1 1 . 1 1 67 67 ASP N N 67 125.550 125.550 121.590 3.960 19148 216 1 1 . 1 1 67 67 ASP HA H 67 4.626 4.626 4.305 0.321 19148 217 1 1 . 1 1 67 67 ASP C C 67 176.269 176.269 176.193 0.076 19148 218 1 1 . 1 1 67 67 ASP CA C 67 53.928 53.928 55.319 -1.391 19148 219 1 1 . 1 1 67 67 ASP CB C 67 41.663 41.663 39.676 1.987 19148 220 1 1 . 1 1 67 67 ASP H H 67 8.278 8.278 8.898 -0.620 19148 221 1 1 . 1 1 68 68 GLY N N 68 109.554 109.554 106.501 3.053 19148 222 1 1 . 1 1 68 68 GLY C C 68 173.806 173.806 173.985 -0.179 19148 223 1 1 . 1 1 68 68 GLY CA C 68 45.532 45.532 44.374 1.158 19148 224 1 1 . 1 1 68 68 GLY H H 68 8.303 8.303 8.325 -0.022 19148 225 1 1 . 1 1 69 69 ASP N N 69 120.592 120.592 122.016 -1.424 19148 226 1 1 . 1 1 69 69 ASP HA H 69 4.702 4.702 4.445 0.257 19148 227 1 1 . 1 1 69 69 ASP C C 69 176.476 176.476 176.558 -0.082 19148 228 1 1 . 1 1 69 69 ASP CA C 69 54.175 54.175 55.105 -0.930 19148 229 1 1 . 1 1 69 69 ASP CB C 69 41.499 41.499 41.389 0.110 19148 230 1 1 . 1 1 69 69 ASP H H 69 8.276 8.276 7.906 0.370 19148 231 1 1 . 1 1 70 70 GLY N N 70 108.866 108.866 106.744 2.122 19148 232 1 1 . 1 1 70 70 GLY C C 70 172.001 172.001 171.988 0.013 19148 233 1 1 . 1 1 70 70 GLY CA C 70 44.791 44.791 45.189 -0.398 19148 234 1 1 . 1 1 70 70 GLY H H 70 8.175 8.175 7.870 0.305 19148 235 1 1 . 1 1 71 71 PRO HA H 71 4.423 4.423 4.931 -0.508 19148 236 1 1 . 1 1 71 71 PRO C C 71 177.171 177.171 177.906 -0.735 19148 237 1 1 . 1 1 71 71 PRO CA C 71 63.312 63.312 62.187 1.125 19148 238 1 1 . 1 1 71 71 PRO CB C 71 32.197 32.197 32.177 0.020 19148 239 1 1 . 1 1 72 72 GLU N N 72 120.852 120.852 123.503 -2.651 19148 240 1 1 . 1 1 72 72 GLU HA H 72 4.256 4.256 3.816 0.440 19148 241 1 1 . 1 1 72 72 GLU C C 72 176.494 176.494 177.802 -1.308 19148 242 1 1 . 1 1 72 72 GLU CA C 72 56.727 56.727 60.359 -3.632 19148 243 1 1 . 1 1 72 72 GLU CB C 72 30.386 30.386 29.588 0.798 19148 244 1 1 . 1 1 72 72 GLU H H 72 8.466 8.466 8.938 -0.472 19148 245 1 1 . 1 1 73 73 GLU N N 73 122.189 122.189 117.345 4.844 19148 246 1 1 . 1 1 73 73 GLU HA H 73 1.984 1.984 4.321 -2.337 19148 247 1 1 . 1 1 73 73 GLU C C 73 176.043 176.043 176.366 -0.323 19148 248 1 1 . 1 1 73 73 GLU CA C 73 56.644 56.644 55.362 1.282 19148 249 1 1 . 1 1 73 73 GLU CB C 73 30.386 30.386 28.739 1.647 19148 250 1 1 . 1 1 73 73 GLU H H 73 8.292 8.292 8.306 -0.014 19148 251 1 1 . 1 1 74 74 LYS N N 74 123.989 123.989 120.649 3.340 19148 252 1 1 . 1 1 74 74 LYS HA H 74 4.369 4.369 4.035 0.334 19148 253 1 1 . 1 1 74 74 LYS C C 74 175.423 175.423 176.172 -0.749 19148 254 1 1 . 1 1 74 74 LYS CA C 74 56.397 56.397 57.452 -1.055 19148 255 1 1 . 1 1 74 74 LYS CB C 74 32.938 32.938 32.787 0.151 19148 256 1 1 . 1 1 74 74 LYS H H 74 8.309 8.309 7.572 0.737 19148 257 1 2 . 1 1 29 29 ALA N N 29 125.100 125.100 122.996 2.104 19148 258 1 2 . 1 1 29 29 ALA HA H 29 4.817 4.817 5.000 -0.183 19148 259 1 2 . 1 1 29 29 ALA C C 29 176.438 176.438 175.427 1.011 19148 260 1 2 . 1 1 29 29 ALA CA C 29 51.870 51.870 50.985 0.885 19148 261 1 2 . 1 1 29 29 ALA CB C 29 20.920 20.920 22.655 -1.735 19148 262 1 2 . 1 1 29 29 ALA H H 29 8.267 8.267 7.967 0.300 19148 263 1 2 . 1 1 30 30 VAL N N 30 118.800 118.800 116.137 2.663 19148 264 1 2 . 1 1 30 30 VAL HA H 30 4.350 4.350 4.248 0.102 19148 265 1 2 . 1 1 30 30 VAL C C 30 173.844 173.844 174.568 -0.724 19148 266 1 2 . 1 1 30 30 VAL CA C 30 60.842 60.842 60.958 -0.116 19148 267 1 2 . 1 1 30 30 VAL CB C 30 33.926 33.926 33.645 0.281 19148 268 1 2 . 1 1 30 30 VAL H H 30 8.363 8.363 8.008 0.355 19148 269 1 2 . 1 1 31 31 GLU N N 31 122.726 122.726 125.173 -2.447 19148 270 1 2 . 1 1 31 31 GLU HA H 31 5.020 5.020 5.063 -0.043 19148 271 1 2 . 1 1 31 31 GLU C C 31 173.712 173.712 174.673 -0.961 19148 272 1 2 . 1 1 31 31 GLU CA C 31 54.916 54.916 54.021 0.895 19148 273 1 2 . 1 1 31 31 GLU CB C 31 33.679 33.679 33.165 0.514 19148 274 1 2 . 1 1 31 31 GLU H H 31 8.278 8.278 8.626 -0.348 19148 275 1 2 . 1 1 32 32 TYR N N 32 120.248 120.248 125.142 -4.894 19148 276 1 2 . 1 1 32 32 TYR HA H 32 4.731 4.731 4.897 -0.166 19148 277 1 2 . 1 1 32 32 TYR C C 32 174.389 174.389 174.003 0.386 19148 278 1 2 . 1 1 32 32 TYR CA C 32 57.056 57.056 56.261 0.795 19148 279 1 2 . 1 1 32 32 TYR CB C 32 43.063 43.063 41.788 1.275 19148 280 1 2 . 1 1 32 32 TYR H H 32 8.243 8.243 9.010 -0.767 19148 281 1 2 . 1 1 33 33 ALA N N 33 119.054 119.054 124.538 -5.484 19148 282 1 2 . 1 1 33 33 ALA HA H 33 5.734 5.734 5.352 0.382 19148 283 1 2 . 1 1 33 33 ALA C C 33 177.886 177.886 176.626 1.260 19148 284 1 2 . 1 1 33 33 ALA CA C 33 50.635 50.635 49.592 1.043 19148 285 1 2 . 1 1 33 33 ALA CB C 33 22.649 22.649 20.964 1.685 19148 286 1 2 . 1 1 33 33 ALA H H 33 8.613 8.613 9.182 -0.569 19148 287 1 2 . 1 1 34 34 CYS N N 34 124.578 124.578 123.111 1.467 19148 288 1 2 . 1 1 34 34 CYS HA H 34 5.558 5.558 5.257 0.301 19148 289 1 2 . 1 1 34 34 CYS C C 34 177.472 177.472 177.252 0.220 19148 290 1 2 . 1 1 34 34 CYS CA C 34 56.727 56.727 56.828 -0.101 19148 291 1 2 . 1 1 34 34 CYS CB C 34 32.362 32.362 29.563 2.799 19148 292 1 2 . 1 1 34 34 CYS H H 34 9.090 9.090 9.282 -0.192 19148 293 1 2 . 1 1 35 35 GLU N N 35 121.981 121.981 120.616 1.365 19148 294 1 2 . 1 1 35 35 GLU HA H 35 4.202 4.202 4.138 0.064 19148 295 1 2 . 1 1 35 35 GLU C C 35 177.190 177.190 177.772 -0.582 19148 296 1 2 . 1 1 35 35 GLU CA C 35 59.031 59.031 58.830 0.201 19148 297 1 2 . 1 1 35 35 GLU CB C 35 29.893 29.893 29.407 0.486 19148 298 1 2 . 1 1 35 35 GLU H H 35 8.865 8.865 8.674 0.191 19148 299 1 2 . 1 1 36 36 LYS N N 36 121.258 121.258 117.773 3.485 19148 300 1 2 . 1 1 36 36 LYS HA H 36 4.273 4.273 4.390 -0.117 19148 301 1 2 . 1 1 36 36 LYS C C 36 176.551 176.551 176.512 0.039 19148 302 1 2 . 1 1 36 36 LYS CA C 36 55.986 55.986 55.567 0.419 19148 303 1 2 . 1 1 36 36 LYS CB C 36 32.115 32.115 32.140 -0.025 19148 304 1 2 . 1 1 36 36 LYS H H 36 9.341 9.341 7.701 1.640 19148 305 1 2 . 1 1 37 37 GLY N N 37 107.582 107.582 107.975 -0.393 19148 306 1 2 . 1 1 37 37 GLY C C 37 174.746 174.746 173.944 0.802 19148 307 1 2 . 1 1 37 37 GLY CA C 37 45.367 45.367 45.428 -0.061 19148 308 1 2 . 1 1 37 37 GLY H H 37 7.902 7.902 7.742 0.160 19148 309 1 2 . 1 1 38 38 HIS N N 38 122.025 122.025 119.901 2.124 19148 310 1 2 . 1 1 38 38 HIS HA H 38 4.905 4.905 4.868 0.037 19148 311 1 2 . 1 1 38 38 HIS C C 38 174.351 174.351 173.954 0.397 19148 312 1 2 . 1 1 38 38 HIS CA C 38 56.644 56.644 54.723 1.921 19148 313 1 2 . 1 1 38 38 HIS CB C 38 30.880 30.880 31.985 -1.105 19148 314 1 2 . 1 1 38 38 HIS H H 38 7.812 7.812 8.107 -0.295 19148 315 1 2 . 1 1 39 39 ARG N N 39 122.401 122.401 126.739 -4.338 19148 316 1 2 . 1 1 39 39 ARG HA H 39 5.717 5.717 5.544 0.173 19148 317 1 2 . 1 1 39 39 ARG C C 39 175.573 175.573 175.610 -0.037 19148 318 1 2 . 1 1 39 39 ARG CA C 39 54.863 54.863 55.299 -0.436 19148 319 1 2 . 1 1 39 39 ARG CB C 39 33.597 33.597 31.915 1.682 19148 320 1 2 . 1 1 39 39 ARG H H 39 8.473 8.473 8.637 -0.164 19148 321 1 2 . 1 1 40 40 PHE N N 40 119.867 119.867 119.755 0.112 19148 322 1 2 . 1 1 40 40 PHE HA H 40 5.104 5.104 5.101 0.003 19148 323 1 2 . 1 1 40 40 PHE C C 40 171.945 171.945 173.242 -1.297 19148 324 1 2 . 1 1 40 40 PHE CA C 40 55.903 55.903 55.876 0.027 19148 325 1 2 . 1 1 40 40 PHE CB C 40 40.346 40.346 42.185 -1.839 19148 326 1 2 . 1 1 40 40 PHE H H 40 8.531 8.531 9.028 -0.497 19148 327 1 2 . 1 1 41 41 GLU N N 41 118.749 118.749 123.095 -4.346 19148 328 1 2 . 1 1 41 41 GLU HA H 41 5.361 5.361 5.357 0.004 19148 329 1 2 . 1 1 41 41 GLU C C 41 176.532 176.532 175.984 0.548 19148 330 1 2 . 1 1 41 41 GLU CA C 41 54.175 54.175 55.307 -1.132 19148 331 1 2 . 1 1 41 41 GLU CB C 41 33.103 33.103 31.550 1.553 19148 332 1 2 . 1 1 41 41 GLU H H 41 8.478 8.478 8.820 -0.342 19148 333 1 2 . 1 1 42 42 MET N N 42 121.000 121.000 121.646 -0.646 19148 334 1 2 . 1 1 42 42 MET HA H 42 5.148 5.148 5.060 0.088 19148 335 1 2 . 1 1 42 42 MET C C 42 173.862 173.862 173.646 0.216 19148 336 1 2 . 1 1 42 42 MET CA C 42 51.047 51.047 51.824 -0.777 19148 337 1 2 . 1 1 42 42 MET CB C 42 34.914 34.914 35.695 -0.781 19148 338 1 2 . 1 1 42 42 MET H H 42 8.926 8.926 9.064 -0.138 19148 339 1 2 . 1 1 43 43 PRO HA H 43 4.978 4.978 4.692 0.286 19148 340 1 2 . 1 1 43 43 PRO C C 43 176.006 176.006 175.448 0.558 19148 341 1 2 . 1 1 43 43 PRO CA C 43 61.739 61.739 62.622 -0.883 19148 342 1 2 . 1 1 43 43 PRO CB C 43 31.292 31.292 31.693 -0.401 19148 343 1 2 . 1 1 44 44 PHE N N 44 119.990 119.990 123.460 -3.470 19148 344 1 2 . 1 1 44 44 PHE HA H 44 4.786 4.786 4.688 0.098 19148 345 1 2 . 1 1 44 44 PHE C C 44 175.216 175.216 174.476 0.740 19148 346 1 2 . 1 1 44 44 PHE CA C 44 56.480 56.480 56.297 0.183 19148 347 1 2 . 1 1 44 44 PHE CB C 44 42.404 42.404 42.755 -0.351 19148 348 1 2 . 1 1 44 44 PHE H H 44 8.135 8.135 8.284 -0.149 19148 349 1 2 . 1 1 45 45 SER N N 45 116.512 116.512 115.326 1.186 19148 350 1 2 . 1 1 45 45 SER HA H 45 4.596 4.596 4.582 0.014 19148 351 1 2 . 1 1 45 45 SER C C 45 175.742 175.742 175.574 0.168 19148 352 1 2 . 1 1 45 45 SER CA C 45 58.044 58.044 57.361 0.683 19148 353 1 2 . 1 1 45 45 SER CB C 45 63.970 63.970 64.412 -0.442 19148 354 1 2 . 1 1 45 45 SER H H 45 8.483 8.483 8.496 -0.013 19148 355 1 2 . 1 1 46 46 VAL N N 46 120.000 120.000 127.604 -7.604 19148 356 1 2 . 1 1 46 46 VAL HA H 46 4.054 4.054 4.015 0.039 19148 357 1 2 . 1 1 46 46 VAL C C 46 176.400 176.400 175.624 0.776 19148 358 1 2 . 1 1 46 46 VAL CA C 46 63.888 63.888 63.160 0.728 19148 359 1 2 . 1 1 46 46 VAL CB C 46 31.950 31.950 31.717 0.233 19148 360 1 2 . 1 1 46 46 VAL H H 46 8.220 8.220 9.015 -0.795 19148 361 1 2 . 1 1 47 47 GLU N N 47 120.013 120.013 119.662 0.351 19148 362 1 2 . 1 1 47 47 GLU HA H 47 4.247 4.247 4.422 -0.175 19148 363 1 2 . 1 1 47 47 GLU C C 47 176.006 176.006 175.286 0.720 19148 364 1 2 . 1 1 47 47 GLU CA C 47 56.974 56.974 55.344 1.630 19148 365 1 2 . 1 1 47 47 GLU CB C 47 29.481 29.481 30.364 -0.883 19148 366 1 2 . 1 1 47 47 GLU H H 47 8.401 8.401 7.694 0.707 19148 367 1 2 . 1 1 48 48 ALA N N 48 122.458 122.458 123.137 -0.679 19148 368 1 2 . 1 1 48 48 ALA HA H 48 4.353 4.353 4.610 -0.257 19148 369 1 2 . 1 1 48 48 ALA C C 48 176.870 176.870 175.480 1.390 19148 370 1 2 . 1 1 48 48 ALA CA C 48 52.199 52.199 50.697 1.502 19148 371 1 2 . 1 1 48 48 ALA CB C 48 20.591 20.591 20.987 -0.396 19148 372 1 2 . 1 1 48 48 ALA H H 48 7.542 7.542 7.423 0.119 19148 373 1 2 . 1 1 49 49 GLU N N 49 119.217 119.217 120.559 -1.342 19148 374 1 2 . 1 1 49 49 GLU HA H 49 4.268 4.268 4.606 -0.338 19148 375 1 2 . 1 1 49 49 GLU C C 49 175.761 175.761 176.148 -0.387 19148 376 1 2 . 1 1 49 49 GLU CA C 49 55.903 55.903 56.092 -0.189 19148 377 1 2 . 1 1 49 49 GLU CB C 49 30.140 30.140 30.086 0.054 19148 378 1 2 . 1 1 49 49 GLU H H 49 8.061 8.061 8.553 -0.492 19148 379 1 2 . 1 1 50 50 ILE N N 50 126.270 126.270 128.287 -2.017 19148 380 1 2 . 1 1 50 50 ILE HA H 50 3.908 3.908 4.007 -0.099 19148 381 1 2 . 1 1 50 50 ILE C C 50 174.483 174.483 173.896 0.587 19148 382 1 2 . 1 1 50 50 ILE CA C 50 58.126 58.126 56.663 1.463 19148 383 1 2 . 1 1 50 50 ILE CB C 50 38.371 38.371 35.774 2.597 19148 384 1 2 . 1 1 50 50 ILE H H 50 8.152 8.152 8.545 -0.393 19148 385 1 2 . 1 1 52 52 PRO HA H 52 4.554 4.554 4.274 0.280 19148 386 1 2 . 1 1 52 52 PRO C C 52 175.742 175.742 175.894 -0.152 19148 387 1 2 . 1 1 52 52 PRO CA C 52 64.490 64.490 64.303 0.187 19148 388 1 2 . 1 1 52 52 PRO CB C 52 32.330 32.330 32.328 0.002 19148 389 1 2 . 1 1 53 53 GLU N N 53 114.593 114.593 112.677 1.916 19148 390 1 2 . 1 1 53 53 GLU HA H 53 5.682 5.682 5.004 0.678 19148 391 1 2 . 1 1 53 53 GLU C C 53 173.844 173.844 174.686 -0.842 19148 392 1 2 . 1 1 53 53 GLU CA C 53 53.906 53.906 54.614 -0.708 19148 393 1 2 . 1 1 53 53 GLU CB C 53 34.008 34.008 33.033 0.975 19148 394 1 2 . 1 1 53 53 GLU H H 53 7.387 7.387 7.665 -0.278 19148 395 1 2 . 1 1 54 54 TRP N N 54 122.688 122.688 121.703 0.985 19148 396 1 2 . 1 1 54 54 TRP HA H 54 4.301 4.301 4.809 -0.508 19148 397 1 2 . 1 1 54 54 TRP C C 54 174.013 174.013 174.173 -0.160 19148 398 1 2 . 1 1 54 54 TRP CA C 54 56.397 56.397 56.235 0.162 19148 399 1 2 . 1 1 54 54 TRP CB C 54 32.444 32.444 33.157 -0.713 19148 400 1 2 . 1 1 54 54 TRP H H 54 9.030 9.030 9.197 -0.167 19148 401 1 2 . 1 1 55 55 GLU N N 55 125.661 125.661 122.796 2.865 19148 402 1 2 . 1 1 55 55 GLU HA H 55 4.063 4.063 4.228 -0.165 19148 403 1 2 . 1 1 55 55 GLU C C 55 175.893 175.893 175.460 0.433 19148 404 1 2 . 1 1 55 55 GLU CA C 55 57.056 57.056 57.029 0.028 19148 405 1 2 . 1 1 55 55 GLU CB C 55 30.386 30.386 30.833 -0.447 19148 406 1 2 . 1 1 55 55 GLU H H 55 7.143 7.143 7.872 -0.729 19148 407 1 2 . 1 1 56 56 CYS N N 56 126.844 126.844 127.173 -0.329 19148 408 1 2 . 1 1 56 56 CYS HA H 56 4.300 4.300 4.615 -0.315 19148 409 1 2 . 1 1 56 56 CYS C C 56 177.998 177.998 175.660 2.338 19148 410 1 2 . 1 1 56 56 CYS CA C 56 60.925 60.925 57.549 3.376 19148 411 1 2 . 1 1 56 56 CYS CB C 56 30.304 30.304 26.345 3.959 19148 412 1 2 . 1 1 56 56 CYS H H 56 9.476 9.476 8.955 0.521 19148 413 1 2 . 1 1 57 57 LYS N N 57 130.306 130.306 128.651 1.655 19148 414 1 2 . 1 1 57 57 LYS HA H 57 3.874 3.874 4.219 -0.345 19148 415 1 2 . 1 1 57 57 LYS C C 57 175.686 175.686 175.961 -0.275 19148 416 1 2 . 1 1 57 57 LYS CA C 57 57.961 57.961 56.192 1.769 19148 417 1 2 . 1 1 57 57 LYS CB C 57 33.020 33.020 31.170 1.850 19148 418 1 2 . 1 1 57 57 LYS H H 57 5.816 5.816 8.490 -2.674 19148 419 1 2 . 1 1 58 58 VAL N N 58 121.332 121.332 117.963 3.369 19148 420 1 2 . 1 1 58 58 VAL HA H 58 3.707 3.707 3.786 -0.079 19148 421 1 2 . 1 1 58 58 VAL C C 58 177.397 177.397 176.731 0.666 19148 422 1 2 . 1 1 58 58 VAL CA C 58 64.958 64.958 64.574 0.384 19148 423 1 2 . 1 1 58 58 VAL CB C 58 32.436 32.436 32.603 -0.167 19148 424 1 2 . 1 1 58 58 VAL H H 58 8.883 8.883 7.316 1.567 19148 425 1 2 . 1 1 59 59 CYS N N 59 117.752 117.752 117.170 0.582 19148 426 1 2 . 1 1 59 59 CYS HA H 59 5.061 5.061 4.690 0.371 19148 427 1 2 . 1 1 59 59 CYS C C 59 176.795 176.795 174.939 1.856 19148 428 1 2 . 1 1 59 59 CYS CA C 59 58.867 58.867 58.807 0.060 19148 429 1 2 . 1 1 59 59 CYS CB C 59 34.255 34.255 29.934 4.321 19148 430 1 2 . 1 1 59 59 CYS H H 59 8.310 8.310 8.178 0.132 19148 431 1 2 . 1 1 60 60 GLY N N 60 113.490 113.490 110.342 3.148 19148 432 1 2 . 1 1 60 60 GLY C C 60 173.110 173.110 172.798 0.312 19148 433 1 2 . 1 1 60 60 GLY CA C 60 46.355 46.355 44.980 1.375 19148 434 1 2 . 1 1 60 60 GLY H H 60 8.078 8.078 7.675 0.403 19148 435 1 2 . 1 1 61 61 ALA N N 61 124.940 124.940 121.077 3.863 19148 436 1 2 . 1 1 61 61 ALA HA H 61 4.518 4.518 4.658 -0.140 19148 437 1 2 . 1 1 61 61 ALA C C 61 175.724 175.724 174.687 1.037 19148 438 1 2 . 1 1 61 61 ALA CA C 61 52.117 52.117 51.477 0.640 19148 439 1 2 . 1 1 61 61 ALA CB C 61 21.167 21.167 21.336 -0.169 19148 440 1 2 . 1 1 61 61 ALA H H 61 8.516 8.516 7.344 1.172 19148 441 1 2 . 1 1 62 62 GLN N N 62 118.486 118.486 118.794 -0.308 19148 442 1 2 . 1 1 62 62 GLN HA H 62 4.183 4.183 4.651 -0.468 19148 443 1 2 . 1 1 62 62 GLN C C 62 174.915 174.915 174.262 0.653 19148 444 1 2 . 1 1 62 62 GLN CA C 62 57.632 57.632 54.560 3.072 19148 445 1 2 . 1 1 62 62 GLN CB C 62 29.728 29.728 31.839 -2.111 19148 446 1 2 . 1 1 62 62 GLN H H 62 8.492 8.492 8.919 -0.427 19148 447 1 2 . 1 1 63 63 ALA N N 63 129.224 129.224 126.272 2.952 19148 448 1 2 . 1 1 63 63 ALA HA H 63 4.926 4.926 5.234 -0.308 19148 449 1 2 . 1 1 63 63 ALA C C 63 175.197 175.197 175.254 -0.057 19148 450 1 2 . 1 1 63 63 ALA CA C 63 50.306 50.306 50.120 0.186 19148 451 1 2 . 1 1 63 63 ALA CB C 63 21.744 21.744 22.796 -1.052 19148 452 1 2 . 1 1 63 63 ALA H H 63 8.863 8.863 9.328 -0.465 19148 453 1 2 . 1 1 64 64 LEU N N 64 121.213 121.213 122.773 -1.560 19148 454 1 2 . 1 1 64 64 LEU HA H 64 5.210 5.210 5.054 0.156 19148 455 1 2 . 1 1 64 64 LEU C C 64 177.322 177.322 176.301 1.021 19148 456 1 2 . 1 1 64 64 LEU CA C 64 53.928 53.928 53.388 0.540 19148 457 1 2 . 1 1 64 64 LEU CB C 64 44.874 44.874 44.384 0.490 19148 458 1 2 . 1 1 64 64 LEU H H 64 8.137 8.137 9.220 -1.083 19148 459 1 2 . 1 1 65 65 LEU N N 65 123.951 123.951 126.078 -2.127 19148 460 1 2 . 1 1 65 65 LEU HA H 65 3.655 3.655 4.254 -0.599 19148 461 1 2 . 1 1 65 65 LEU C C 65 177.058 177.058 176.187 0.871 19148 462 1 2 . 1 1 65 65 LEU CA C 65 55.739 55.739 54.456 1.283 19148 463 1 2 . 1 1 65 65 LEU CB C 65 43.145 43.145 42.115 1.030 19148 464 1 2 . 1 1 65 65 LEU H H 65 7.619 7.619 8.818 -1.199 19148 465 1 2 . 1 1 66 66 VAL N N 66 127.050 127.050 123.625 3.425 19148 466 1 2 . 1 1 66 66 VAL HA H 66 3.928 3.928 4.328 -0.400 19148 467 1 2 . 1 1 66 66 VAL C C 66 175.536 175.536 175.013 0.523 19148 468 1 2 . 1 1 66 66 VAL CA C 66 62.735 62.735 60.460 2.275 19148 469 1 2 . 1 1 66 66 VAL CB C 66 32.280 32.280 32.282 -0.002 19148 470 1 2 . 1 1 66 66 VAL H H 66 8.392 8.392 8.633 -0.241 19148 471 1 2 . 1 1 67 67 ASP N N 67 125.550 125.550 126.197 -0.647 19148 472 1 2 . 1 1 67 67 ASP HA H 67 4.626 4.626 4.258 0.368 19148 473 1 2 . 1 1 67 67 ASP C C 67 176.269 176.269 175.286 0.983 19148 474 1 2 . 1 1 67 67 ASP CA C 67 53.928 53.928 55.288 -1.360 19148 475 1 2 . 1 1 67 67 ASP CB C 67 41.663 41.663 40.102 1.562 19148 476 1 2 . 1 1 67 67 ASP H H 67 8.278 8.278 8.856 -0.578 19148 477 1 2 . 1 1 68 68 GLY N N 68 109.554 109.554 108.089 1.465 19148 478 1 2 . 1 1 68 68 GLY C C 68 173.806 173.806 173.813 -0.007 19148 479 1 2 . 1 1 68 68 GLY CA C 68 45.532 45.532 45.106 0.426 19148 480 1 2 . 1 1 68 68 GLY H H 68 8.303 8.303 7.955 0.348 19148 481 1 2 . 1 1 69 69 ASP N N 69 120.592 120.592 121.708 -1.116 19148 482 1 2 . 1 1 69 69 ASP HA H 69 4.702 4.702 4.138 0.564 19148 483 1 2 . 1 1 69 69 ASP C C 69 176.476 176.476 176.842 -0.366 19148 484 1 2 . 1 1 69 69 ASP CA C 69 54.175 54.175 56.840 -2.665 19148 485 1 2 . 1 1 69 69 ASP CB C 69 41.499 41.499 39.795 1.704 19148 486 1 2 . 1 1 69 69 ASP H H 69 8.276 8.276 8.174 0.102 19148 487 1 2 . 1 1 70 70 GLY N N 70 108.866 108.866 105.824 3.042 19148 488 1 2 . 1 1 70 70 GLY C C 70 172.001 172.001 171.935 0.066 19148 489 1 2 . 1 1 70 70 GLY CA C 70 44.791 44.791 45.605 -0.814 19148 490 1 2 . 1 1 70 70 GLY H H 70 8.175 8.175 8.404 -0.229 19148 491 1 2 . 1 1 71 71 PRO HA H 71 4.423 4.423 4.826 -0.403 19148 492 1 2 . 1 1 71 71 PRO C C 71 177.171 177.171 177.361 -0.190 19148 493 1 2 . 1 1 71 71 PRO CA C 71 63.312 63.312 62.640 0.672 19148 494 1 2 . 1 1 71 71 PRO CB C 71 32.197 32.197 32.322 -0.125 19148 495 1 2 . 1 1 72 72 GLU N N 72 120.852 120.852 123.766 -2.914 19148 496 1 2 . 1 1 72 72 GLU HA H 72 4.256 4.256 3.893 0.363 19148 497 1 2 . 1 1 72 72 GLU C C 72 176.494 176.494 177.140 -0.646 19148 498 1 2 . 1 1 72 72 GLU CA C 72 56.727 56.727 59.580 -2.853 19148 499 1 2 . 1 1 72 72 GLU CB C 72 30.386 30.386 29.877 0.509 19148 500 1 2 . 1 1 72 72 GLU H H 72 8.466 8.466 8.835 -0.369 19148 501 1 2 . 1 1 73 73 GLU N N 73 122.189 122.189 117.249 4.940 19148 502 1 2 . 1 1 73 73 GLU HA H 73 1.984 1.984 4.359 -2.375 19148 503 1 2 . 1 1 73 73 GLU C C 73 176.043 176.043 175.378 0.665 19148 504 1 2 . 1 1 73 73 GLU CA C 73 56.644 56.644 56.246 0.398 19148 505 1 2 . 1 1 73 73 GLU CB C 73 30.386 30.386 28.696 1.690 19148 506 1 2 . 1 1 73 73 GLU H H 73 8.292 8.292 8.241 0.051 19148 507 1 2 . 1 1 74 74 LYS N N 74 123.989 123.989 121.447 2.542 19148 508 1 2 . 1 1 74 74 LYS HA H 74 4.369 4.369 4.331 0.038 19148 509 1 2 . 1 1 74 74 LYS C C 74 175.423 175.423 176.490 -1.067 19148 510 1 2 . 1 1 74 74 LYS CA C 74 56.397 56.397 56.509 -0.112 19148 511 1 2 . 1 1 74 74 LYS CB C 74 32.938 32.938 33.584 -0.646 19148 512 1 2 . 1 1 74 74 LYS H H 74 8.309 8.309 8.392 -0.083 19148 513 1 3 . 1 1 29 29 ALA N N 29 125.100 125.100 122.582 2.518 19148 514 1 3 . 1 1 29 29 ALA HA H 29 4.817 4.817 4.860 -0.043 19148 515 1 3 . 1 1 29 29 ALA C C 29 176.438 176.438 175.231 1.207 19148 516 1 3 . 1 1 29 29 ALA CA C 29 51.870 51.870 51.065 0.805 19148 517 1 3 . 1 1 29 29 ALA CB C 29 20.920 20.920 22.370 -1.450 19148 518 1 3 . 1 1 29 29 ALA H H 29 8.267 8.267 7.802 0.465 19148 519 1 3 . 1 1 30 30 VAL N N 30 118.800 118.800 116.040 2.760 19148 520 1 3 . 1 1 30 30 VAL HA H 30 4.350 4.350 4.254 0.096 19148 521 1 3 . 1 1 30 30 VAL C C 30 173.844 173.844 174.640 -0.796 19148 522 1 3 . 1 1 30 30 VAL CA C 30 60.842 60.842 61.375 -0.533 19148 523 1 3 . 1 1 30 30 VAL CB C 30 33.926 33.926 32.965 0.961 19148 524 1 3 . 1 1 30 30 VAL H H 30 8.363 8.363 7.831 0.532 19148 525 1 3 . 1 1 31 31 GLU N N 31 122.726 122.726 122.225 0.501 19148 526 1 3 . 1 1 31 31 GLU HA H 31 5.020 5.020 4.860 0.160 19148 527 1 3 . 1 1 31 31 GLU C C 31 173.712 173.712 174.573 -0.861 19148 528 1 3 . 1 1 31 31 GLU CA C 31 54.916 54.916 54.175 0.741 19148 529 1 3 . 1 1 31 31 GLU CB C 31 33.679 33.679 32.856 0.823 19148 530 1 3 . 1 1 31 31 GLU H H 31 8.278 8.278 8.333 -0.055 19148 531 1 3 . 1 1 32 32 TYR N N 32 120.248 120.248 124.929 -4.681 19148 532 1 3 . 1 1 32 32 TYR HA H 32 4.731 4.731 4.983 -0.252 19148 533 1 3 . 1 1 32 32 TYR C C 32 174.389 174.389 173.772 0.617 19148 534 1 3 . 1 1 32 32 TYR CA C 32 57.056 57.056 56.186 0.870 19148 535 1 3 . 1 1 32 32 TYR CB C 32 43.063 43.063 42.559 0.504 19148 536 1 3 . 1 1 32 32 TYR H H 32 8.243 8.243 8.874 -0.631 19148 537 1 3 . 1 1 33 33 ALA N N 33 119.054 119.054 124.489 -5.435 19148 538 1 3 . 1 1 33 33 ALA HA H 33 5.734 5.734 5.423 0.311 19148 539 1 3 . 1 1 33 33 ALA C C 33 177.886 177.886 176.159 1.727 19148 540 1 3 . 1 1 33 33 ALA CA C 33 50.635 50.635 49.656 0.979 19148 541 1 3 . 1 1 33 33 ALA CB C 33 22.649 22.649 21.617 1.032 19148 542 1 3 . 1 1 33 33 ALA H H 33 8.613 8.613 9.110 -0.497 19148 543 1 3 . 1 1 34 34 CYS N N 34 124.578 124.578 122.516 2.062 19148 544 1 3 . 1 1 34 34 CYS HA H 34 5.558 5.558 5.289 0.269 19148 545 1 3 . 1 1 34 34 CYS C C 34 177.472 177.472 177.235 0.237 19148 546 1 3 . 1 1 34 34 CYS CA C 34 56.727 56.727 55.977 0.750 19148 547 1 3 . 1 1 34 34 CYS CB C 34 32.362 32.362 29.908 2.454 19148 548 1 3 . 1 1 34 34 CYS H H 34 9.090 9.090 9.281 -0.191 19148 549 1 3 . 1 1 35 35 GLU N N 35 121.981 121.981 119.895 2.086 19148 550 1 3 . 1 1 35 35 GLU HA H 35 4.202 4.202 4.134 0.068 19148 551 1 3 . 1 1 35 35 GLU C C 35 177.190 177.190 176.892 0.298 19148 552 1 3 . 1 1 35 35 GLU CA C 35 59.031 59.031 58.649 0.382 19148 553 1 3 . 1 1 35 35 GLU CB C 35 29.893 29.893 29.235 0.658 19148 554 1 3 . 1 1 35 35 GLU H H 35 8.865 8.865 8.826 0.039 19148 555 1 3 . 1 1 36 36 LYS N N 36 121.258 121.258 117.597 3.661 19148 556 1 3 . 1 1 36 36 LYS HA H 36 4.273 4.273 4.385 -0.112 19148 557 1 3 . 1 1 36 36 LYS C C 36 176.551 176.551 176.884 -0.333 19148 558 1 3 . 1 1 36 36 LYS CA C 36 55.986 55.986 56.169 -0.183 19148 559 1 3 . 1 1 36 36 LYS CB C 36 32.115 32.115 32.219 -0.104 19148 560 1 3 . 1 1 36 36 LYS H H 36 9.341 9.341 7.881 1.460 19148 561 1 3 . 1 1 37 37 GLY N N 37 107.582 107.582 107.766 -0.184 19148 562 1 3 . 1 1 37 37 GLY C C 37 174.746 174.746 174.167 0.579 19148 563 1 3 . 1 1 37 37 GLY CA C 37 45.367 45.367 44.835 0.532 19148 564 1 3 . 1 1 37 37 GLY H H 37 7.902 7.902 7.837 0.065 19148 565 1 3 . 1 1 38 38 HIS N N 38 122.025 122.025 120.874 1.151 19148 566 1 3 . 1 1 38 38 HIS HA H 38 4.905 4.905 4.848 0.057 19148 567 1 3 . 1 1 38 38 HIS C C 38 174.351 174.351 174.192 0.159 19148 568 1 3 . 1 1 38 38 HIS CA C 38 56.644 56.644 55.413 1.231 19148 569 1 3 . 1 1 38 38 HIS CB C 38 30.880 30.880 31.603 -0.723 19148 570 1 3 . 1 1 38 38 HIS H H 38 7.812 7.812 8.042 -0.230 19148 571 1 3 . 1 1 39 39 ARG N N 39 122.401 122.401 122.830 -0.429 19148 572 1 3 . 1 1 39 39 ARG HA H 39 5.717 5.717 5.604 0.113 19148 573 1 3 . 1 1 39 39 ARG C C 39 175.573 175.573 175.464 0.109 19148 574 1 3 . 1 1 39 39 ARG CA C 39 54.863 54.863 55.048 -0.185 19148 575 1 3 . 1 1 39 39 ARG CB C 39 33.597 33.597 33.056 0.541 19148 576 1 3 . 1 1 39 39 ARG H H 39 8.473 8.473 8.838 -0.365 19148 577 1 3 . 1 1 40 40 PHE N N 40 119.867 119.867 118.379 1.488 19148 578 1 3 . 1 1 40 40 PHE HA H 40 5.104 5.104 5.029 0.075 19148 579 1 3 . 1 1 40 40 PHE C C 40 171.945 171.945 173.374 -1.429 19148 580 1 3 . 1 1 40 40 PHE CA C 40 55.903 55.903 55.987 -0.084 19148 581 1 3 . 1 1 40 40 PHE CB C 40 40.346 40.346 42.505 -2.159 19148 582 1 3 . 1 1 40 40 PHE H H 40 8.531 8.531 8.952 -0.421 19148 583 1 3 . 1 1 41 41 GLU N N 41 118.749 118.749 120.997 -2.248 19148 584 1 3 . 1 1 41 41 GLU HA H 41 5.361 5.361 5.492 -0.131 19148 585 1 3 . 1 1 41 41 GLU C C 41 176.532 176.532 175.288 1.244 19148 586 1 3 . 1 1 41 41 GLU CA C 41 54.175 54.175 54.603 -0.428 19148 587 1 3 . 1 1 41 41 GLU CB C 41 33.103 33.103 32.086 1.017 19148 588 1 3 . 1 1 41 41 GLU H H 41 8.478 8.478 8.756 -0.278 19148 589 1 3 . 1 1 42 42 MET N N 42 121.000 121.000 120.069 0.931 19148 590 1 3 . 1 1 42 42 MET HA H 42 5.148 5.148 5.005 0.143 19148 591 1 3 . 1 1 42 42 MET C C 42 173.862 173.862 173.587 0.275 19148 592 1 3 . 1 1 42 42 MET CA C 42 51.047 51.047 52.430 -1.383 19148 593 1 3 . 1 1 42 42 MET CB C 42 34.914 34.914 35.901 -0.987 19148 594 1 3 . 1 1 42 42 MET H H 42 8.926 8.926 8.354 0.572 19148 595 1 3 . 1 1 43 43 PRO HA H 43 4.978 4.978 4.619 0.359 19148 596 1 3 . 1 1 43 43 PRO C C 43 176.006 176.006 175.358 0.648 19148 597 1 3 . 1 1 43 43 PRO CA C 43 61.739 61.739 62.852 -1.113 19148 598 1 3 . 1 1 43 43 PRO CB C 43 31.292 31.292 31.703 -0.411 19148 599 1 3 . 1 1 44 44 PHE N N 44 119.990 119.990 123.850 -3.860 19148 600 1 3 . 1 1 44 44 PHE HA H 44 4.786 4.786 4.747 0.039 19148 601 1 3 . 1 1 44 44 PHE C C 44 175.216 175.216 174.842 0.374 19148 602 1 3 . 1 1 44 44 PHE CA C 44 56.480 56.480 56.537 -0.057 19148 603 1 3 . 1 1 44 44 PHE CB C 44 42.404 42.404 42.785 -0.381 19148 604 1 3 . 1 1 44 44 PHE H H 44 8.135 8.135 8.332 -0.197 19148 605 1 3 . 1 1 45 45 SER N N 45 116.512 116.512 115.997 0.515 19148 606 1 3 . 1 1 45 45 SER HA H 45 4.596 4.596 4.627 -0.031 19148 607 1 3 . 1 1 45 45 SER C C 45 175.742 175.742 175.791 -0.049 19148 608 1 3 . 1 1 45 45 SER CA C 45 58.044 58.044 56.940 1.104 19148 609 1 3 . 1 1 45 45 SER CB C 45 63.970 63.970 64.302 -0.332 19148 610 1 3 . 1 1 45 45 SER H H 45 8.483 8.483 8.550 -0.067 19148 611 1 3 . 1 1 46 46 VAL N N 46 120.000 120.000 127.235 -7.235 19148 612 1 3 . 1 1 46 46 VAL HA H 46 4.054 4.054 4.043 0.011 19148 613 1 3 . 1 1 46 46 VAL C C 46 176.400 176.400 175.501 0.899 19148 614 1 3 . 1 1 46 46 VAL CA C 46 63.888 63.888 63.389 0.499 19148 615 1 3 . 1 1 46 46 VAL CB C 46 31.950 31.950 31.563 0.387 19148 616 1 3 . 1 1 46 46 VAL H H 46 8.220 8.220 9.000 -0.780 19148 617 1 3 . 1 1 47 47 GLU N N 47 120.013 120.013 118.811 1.202 19148 618 1 3 . 1 1 47 47 GLU HA H 47 4.247 4.247 4.456 -0.209 19148 619 1 3 . 1 1 47 47 GLU C C 47 176.006 176.006 175.140 0.866 19148 620 1 3 . 1 1 47 47 GLU CA C 47 56.974 56.974 55.121 1.853 19148 621 1 3 . 1 1 47 47 GLU CB C 47 29.481 29.481 30.613 -1.132 19148 622 1 3 . 1 1 47 47 GLU H H 47 8.401 8.401 7.659 0.742 19148 623 1 3 . 1 1 48 48 ALA N N 48 122.458 122.458 122.895 -0.437 19148 624 1 3 . 1 1 48 48 ALA HA H 48 4.353 4.353 4.602 -0.249 19148 625 1 3 . 1 1 48 48 ALA C C 48 176.870 176.870 176.616 0.254 19148 626 1 3 . 1 1 48 48 ALA CA C 48 52.199 52.199 51.025 1.174 19148 627 1 3 . 1 1 48 48 ALA CB C 48 20.591 20.591 20.539 0.052 19148 628 1 3 . 1 1 48 48 ALA H H 48 7.542 7.542 7.292 0.250 19148 629 1 3 . 1 1 49 49 GLU N N 49 119.217 119.217 122.104 -2.887 19148 630 1 3 . 1 1 49 49 GLU HA H 49 4.268 4.268 4.153 0.115 19148 631 1 3 . 1 1 49 49 GLU C C 49 175.761 175.761 175.456 0.305 19148 632 1 3 . 1 1 49 49 GLU CA C 49 55.903 55.903 55.458 0.445 19148 633 1 3 . 1 1 49 49 GLU CB C 49 30.140 30.140 28.121 2.019 19148 634 1 3 . 1 1 49 49 GLU H H 49 8.061 8.061 8.641 -0.580 19148 635 1 3 . 1 1 50 50 ILE N N 50 126.270 126.270 124.610 1.660 19148 636 1 3 . 1 1 50 50 ILE HA H 50 3.908 3.908 3.749 0.159 19148 637 1 3 . 1 1 50 50 ILE C C 50 174.483 174.483 175.170 -0.687 19148 638 1 3 . 1 1 50 50 ILE CA C 50 58.126 58.126 57.652 0.474 19148 639 1 3 . 1 1 50 50 ILE CB C 50 38.371 38.371 36.331 2.040 19148 640 1 3 . 1 1 50 50 ILE H H 50 8.152 8.152 7.623 0.529 19148 641 1 3 . 1 1 52 52 PRO HA H 52 4.554 4.554 4.271 0.283 19148 642 1 3 . 1 1 52 52 PRO C C 52 175.742 175.742 175.772 -0.030 19148 643 1 3 . 1 1 52 52 PRO CA C 52 64.490 64.490 64.785 -0.296 19148 644 1 3 . 1 1 52 52 PRO CB C 52 32.330 32.330 31.845 0.485 19148 645 1 3 . 1 1 53 53 GLU N N 53 114.593 114.593 113.916 0.677 19148 646 1 3 . 1 1 53 53 GLU HA H 53 5.682 5.682 5.016 0.666 19148 647 1 3 . 1 1 53 53 GLU C C 53 173.844 173.844 174.252 -0.408 19148 648 1 3 . 1 1 53 53 GLU CA C 53 53.906 53.906 54.768 -0.862 19148 649 1 3 . 1 1 53 53 GLU CB C 53 34.008 34.008 32.018 1.990 19148 650 1 3 . 1 1 53 53 GLU H H 53 7.387 7.387 7.618 -0.231 19148 651 1 3 . 1 1 54 54 TRP N N 54 122.688 122.688 122.817 -0.129 19148 652 1 3 . 1 1 54 54 TRP HA H 54 4.301 4.301 5.026 -0.725 19148 653 1 3 . 1 1 54 54 TRP C C 54 174.013 174.013 174.012 0.001 19148 654 1 3 . 1 1 54 54 TRP CA C 54 56.397 56.397 56.272 0.125 19148 655 1 3 . 1 1 54 54 TRP CB C 54 32.444 32.444 33.240 -0.796 19148 656 1 3 . 1 1 54 54 TRP H H 54 9.030 9.030 9.409 -0.379 19148 657 1 3 . 1 1 55 55 GLU N N 55 125.661 125.661 123.635 2.026 19148 658 1 3 . 1 1 55 55 GLU HA H 55 4.063 4.063 4.327 -0.264 19148 659 1 3 . 1 1 55 55 GLU C C 55 175.893 175.893 175.657 0.236 19148 660 1 3 . 1 1 55 55 GLU CA C 55 57.056 57.056 57.471 -0.415 19148 661 1 3 . 1 1 55 55 GLU CB C 55 30.386 30.386 30.433 -0.047 19148 662 1 3 . 1 1 55 55 GLU H H 55 7.143 7.143 7.923 -0.780 19148 663 1 3 . 1 1 56 56 CYS N N 56 126.844 126.844 127.390 -0.546 19148 664 1 3 . 1 1 56 56 CYS HA H 56 4.300 4.300 4.649 -0.349 19148 665 1 3 . 1 1 56 56 CYS C C 56 177.998 177.998 175.031 2.967 19148 666 1 3 . 1 1 56 56 CYS CA C 56 60.925 60.925 58.692 2.233 19148 667 1 3 . 1 1 56 56 CYS CB C 56 30.304 30.304 27.043 3.261 19148 668 1 3 . 1 1 56 56 CYS H H 56 9.476 9.476 9.099 0.377 19148 669 1 3 . 1 1 57 57 LYS N N 57 130.306 130.306 127.423 2.883 19148 670 1 3 . 1 1 57 57 LYS HA H 57 3.874 3.874 4.161 -0.287 19148 671 1 3 . 1 1 57 57 LYS C C 57 175.686 175.686 176.518 -0.832 19148 672 1 3 . 1 1 57 57 LYS CA C 57 57.961 57.961 57.537 0.424 19148 673 1 3 . 1 1 57 57 LYS CB C 57 33.020 33.020 31.977 1.042 19148 674 1 3 . 1 1 57 57 LYS H H 57 5.816 5.816 8.437 -2.621 19148 675 1 3 . 1 1 58 58 VAL N N 58 121.332 121.332 118.413 2.919 19148 676 1 3 . 1 1 58 58 VAL HA H 58 3.707 3.707 3.709 -0.002 19148 677 1 3 . 1 1 58 58 VAL C C 58 177.397 177.397 176.927 0.470 19148 678 1 3 . 1 1 58 58 VAL CA C 58 64.958 64.958 65.091 -0.133 19148 679 1 3 . 1 1 58 58 VAL CB C 58 32.436 32.436 32.194 0.242 19148 680 1 3 . 1 1 58 58 VAL H H 58 8.883 8.883 7.362 1.521 19148 681 1 3 . 1 1 59 59 CYS N N 59 117.752 117.752 116.626 1.126 19148 682 1 3 . 1 1 59 59 CYS HA H 59 5.061 5.061 4.815 0.246 19148 683 1 3 . 1 1 59 59 CYS C C 59 176.795 176.795 174.607 2.188 19148 684 1 3 . 1 1 59 59 CYS CA C 59 58.867 58.867 58.824 0.043 19148 685 1 3 . 1 1 59 59 CYS CB C 59 34.255 34.255 29.904 4.351 19148 686 1 3 . 1 1 59 59 CYS H H 59 8.310 8.310 8.113 0.197 19148 687 1 3 . 1 1 60 60 GLY N N 60 113.490 113.490 110.797 2.693 19148 688 1 3 . 1 1 60 60 GLY C C 60 173.110 173.110 172.626 0.484 19148 689 1 3 . 1 1 60 60 GLY CA C 60 46.355 46.355 45.174 1.181 19148 690 1 3 . 1 1 60 60 GLY H H 60 8.078 8.078 7.775 0.303 19148 691 1 3 . 1 1 61 61 ALA N N 61 124.940 124.940 123.355 1.585 19148 692 1 3 . 1 1 61 61 ALA HA H 61 4.518 4.518 4.651 -0.133 19148 693 1 3 . 1 1 61 61 ALA C C 61 175.724 175.724 174.915 0.809 19148 694 1 3 . 1 1 61 61 ALA CA C 61 52.117 52.117 51.786 0.331 19148 695 1 3 . 1 1 61 61 ALA CB C 61 21.167 21.167 20.856 0.311 19148 696 1 3 . 1 1 61 61 ALA H H 61 8.516 8.516 7.558 0.958 19148 697 1 3 . 1 1 62 62 GLN N N 62 118.486 118.486 119.673 -1.187 19148 698 1 3 . 1 1 62 62 GLN HA H 62 4.183 4.183 4.673 -0.490 19148 699 1 3 . 1 1 62 62 GLN C C 62 174.915 174.915 174.401 0.514 19148 700 1 3 . 1 1 62 62 GLN CA C 62 57.632 57.632 54.934 2.698 19148 701 1 3 . 1 1 62 62 GLN CB C 62 29.728 29.728 30.951 -1.223 19148 702 1 3 . 1 1 62 62 GLN H H 62 8.492 8.492 8.702 -0.210 19148 703 1 3 . 1 1 63 63 ALA N N 63 129.224 129.224 128.986 0.238 19148 704 1 3 . 1 1 63 63 ALA HA H 63 4.926 4.926 5.104 -0.178 19148 705 1 3 . 1 1 63 63 ALA C C 63 175.197 175.197 175.531 -0.334 19148 706 1 3 . 1 1 63 63 ALA CA C 63 50.306 50.306 50.234 0.072 19148 707 1 3 . 1 1 63 63 ALA CB C 63 21.744 21.744 21.873 -0.129 19148 708 1 3 . 1 1 63 63 ALA H H 63 8.863 8.863 9.419 -0.556 19148 709 1 3 . 1 1 64 64 LEU N N 64 121.213 121.213 125.089 -3.876 19148 710 1 3 . 1 1 64 64 LEU HA H 64 5.210 5.210 4.723 0.487 19148 711 1 3 . 1 1 64 64 LEU C C 64 177.322 177.322 176.613 0.709 19148 712 1 3 . 1 1 64 64 LEU CA C 64 53.928 53.928 53.862 0.066 19148 713 1 3 . 1 1 64 64 LEU CB C 64 44.874 44.874 43.178 1.696 19148 714 1 3 . 1 1 64 64 LEU H H 64 8.137 8.137 9.071 -0.934 19148 715 1 3 . 1 1 65 65 LEU N N 65 123.951 123.951 125.886 -1.935 19148 716 1 3 . 1 1 65 65 LEU HA H 65 3.655 3.655 4.022 -0.367 19148 717 1 3 . 1 1 65 65 LEU C C 65 177.058 177.058 175.789 1.269 19148 718 1 3 . 1 1 65 65 LEU CA C 65 55.739 55.739 54.490 1.249 19148 719 1 3 . 1 1 65 65 LEU CB C 65 43.145 43.145 41.505 1.640 19148 720 1 3 . 1 1 65 65 LEU H H 65 7.619 7.619 8.582 -0.963 19148 721 1 3 . 1 1 66 66 VAL N N 66 127.050 127.050 128.293 -1.243 19148 722 1 3 . 1 1 66 66 VAL HA H 66 3.928 3.928 4.010 -0.082 19148 723 1 3 . 1 1 66 66 VAL C C 66 175.536 175.536 174.412 1.124 19148 724 1 3 . 1 1 66 66 VAL CA C 66 62.735 62.735 61.311 1.424 19148 725 1 3 . 1 1 66 66 VAL CB C 66 32.280 32.280 32.498 -0.218 19148 726 1 3 . 1 1 66 66 VAL H H 66 8.392 8.392 8.607 -0.215 19148 727 1 3 . 1 1 67 67 ASP N N 67 125.550 125.550 126.561 -1.011 19148 728 1 3 . 1 1 67 67 ASP HA H 67 4.626 4.626 4.257 0.369 19148 729 1 3 . 1 1 67 67 ASP C C 67 176.269 176.269 174.746 1.523 19148 730 1 3 . 1 1 67 67 ASP CA C 67 53.928 53.928 54.976 -1.048 19148 731 1 3 . 1 1 67 67 ASP CB C 67 41.663 41.663 41.271 0.392 19148 732 1 3 . 1 1 67 67 ASP H H 67 8.278 8.278 8.632 -0.354 19148 733 1 3 . 1 1 68 68 GLY N N 68 109.554 109.554 110.065 -0.511 19148 734 1 3 . 1 1 68 68 GLY C C 68 173.806 173.806 173.432 0.374 19148 735 1 3 . 1 1 68 68 GLY CA C 68 45.532 45.532 45.039 0.493 19148 736 1 3 . 1 1 68 68 GLY H H 68 8.303 8.303 8.172 0.131 19148 737 1 3 . 1 1 69 69 ASP N N 69 120.592 120.592 118.836 1.756 19148 738 1 3 . 1 1 69 69 ASP HA H 69 4.702 4.702 4.573 0.129 19148 739 1 3 . 1 1 69 69 ASP C C 69 176.476 176.476 175.993 0.483 19148 740 1 3 . 1 1 69 69 ASP CA C 69 54.175 54.175 53.554 0.621 19148 741 1 3 . 1 1 69 69 ASP CB C 69 41.499 41.499 41.187 0.312 19148 742 1 3 . 1 1 69 69 ASP H H 69 8.276 8.276 8.416 -0.140 19148 743 1 3 . 1 1 70 70 GLY N N 70 108.866 108.866 107.926 0.940 19148 744 1 3 . 1 1 70 70 GLY C C 70 172.001 172.001 172.166 -0.165 19148 745 1 3 . 1 1 70 70 GLY CA C 70 44.791 44.791 45.359 -0.568 19148 746 1 3 . 1 1 70 70 GLY H H 70 8.175 8.175 7.814 0.361 19148 747 1 3 . 1 1 71 71 PRO HA H 71 4.423 4.423 4.848 -0.425 19148 748 1 3 . 1 1 71 71 PRO C C 71 177.171 177.171 176.348 0.823 19148 749 1 3 . 1 1 71 71 PRO CA C 71 63.312 63.312 62.402 0.910 19148 750 1 3 . 1 1 71 71 PRO CB C 71 32.197 32.197 31.978 0.219 19148 751 1 3 . 1 1 72 72 GLU N N 72 120.852 120.852 124.524 -3.672 19148 752 1 3 . 1 1 72 72 GLU HA H 72 4.256 4.256 4.130 0.126 19148 753 1 3 . 1 1 72 72 GLU C C 72 176.494 176.494 176.923 -0.429 19148 754 1 3 . 1 1 72 72 GLU CA C 72 56.727 56.727 56.972 -0.245 19148 755 1 3 . 1 1 72 72 GLU CB C 72 30.386 30.386 29.911 0.475 19148 756 1 3 . 1 1 72 72 GLU H H 72 8.466 8.466 8.536 -0.070 19148 757 1 3 . 1 1 73 73 GLU N N 73 122.189 122.189 121.271 0.918 19148 758 1 3 . 1 1 73 73 GLU HA H 73 1.984 1.984 3.924 -1.940 19148 759 1 3 . 1 1 73 73 GLU C C 73 176.043 176.043 175.465 0.578 19148 760 1 3 . 1 1 73 73 GLU CA C 73 56.644 56.644 57.670 -1.026 19148 761 1 3 . 1 1 73 73 GLU CB C 73 30.386 30.386 28.513 1.873 19148 762 1 3 . 1 1 73 73 GLU H H 73 8.292 8.292 8.920 -0.628 19148 763 1 3 . 1 1 74 74 LYS N N 74 123.989 123.989 120.398 3.591 19148 764 1 3 . 1 1 74 74 LYS HA H 74 4.369 4.369 4.113 0.256 19148 765 1 3 . 1 1 74 74 LYS C C 74 175.423 175.423 176.834 -1.411 19148 766 1 3 . 1 1 74 74 LYS CA C 74 56.397 56.397 57.421 -1.024 19148 767 1 3 . 1 1 74 74 LYS CB C 74 32.938 32.938 33.124 -0.186 19148 768 1 3 . 1 1 74 74 LYS H H 74 8.309 8.309 8.029 0.280 19148 769 1 4 . 1 1 29 29 ALA N N 29 125.100 125.100 123.931 1.169 19148 770 1 4 . 1 1 29 29 ALA HA H 29 4.817 4.817 5.251 -0.434 19148 771 1 4 . 1 1 29 29 ALA C C 29 176.438 176.438 175.020 1.418 19148 772 1 4 . 1 1 29 29 ALA CA C 29 51.870 51.870 50.963 0.907 19148 773 1 4 . 1 1 29 29 ALA CB C 29 20.920 20.920 22.469 -1.549 19148 774 1 4 . 1 1 29 29 ALA H H 29 8.267 8.267 8.033 0.234 19148 775 1 4 . 1 1 30 30 VAL N N 30 118.800 118.800 118.149 0.651 19148 776 1 4 . 1 1 30 30 VAL HA H 30 4.350 4.350 4.301 0.049 19148 777 1 4 . 1 1 30 30 VAL C C 30 173.844 173.844 174.794 -0.950 19148 778 1 4 . 1 1 30 30 VAL CA C 30 60.842 60.842 60.497 0.345 19148 779 1 4 . 1 1 30 30 VAL CB C 30 33.926 33.926 33.635 0.291 19148 780 1 4 . 1 1 30 30 VAL H H 30 8.363 8.363 8.900 -0.537 19148 781 1 4 . 1 1 31 31 GLU N N 31 122.726 122.726 122.548 0.178 19148 782 1 4 . 1 1 31 31 GLU HA H 31 5.020 5.020 4.897 0.123 19148 783 1 4 . 1 1 31 31 GLU C C 31 173.712 173.712 175.339 -1.627 19148 784 1 4 . 1 1 31 31 GLU CA C 31 54.916 54.916 55.042 -0.126 19148 785 1 4 . 1 1 31 31 GLU CB C 31 33.679 33.679 31.629 2.050 19148 786 1 4 . 1 1 31 31 GLU H H 31 8.278 8.278 8.415 -0.137 19148 787 1 4 . 1 1 32 32 TYR N N 32 120.248 120.248 124.419 -4.171 19148 788 1 4 . 1 1 32 32 TYR HA H 32 4.731 4.731 4.898 -0.167 19148 789 1 4 . 1 1 32 32 TYR C C 32 174.389 174.389 173.917 0.472 19148 790 1 4 . 1 1 32 32 TYR CA C 32 57.056 57.056 56.339 0.717 19148 791 1 4 . 1 1 32 32 TYR CB C 32 43.063 43.063 41.672 1.391 19148 792 1 4 . 1 1 32 32 TYR H H 32 8.243 8.243 8.869 -0.626 19148 793 1 4 . 1 1 33 33 ALA N N 33 119.054 119.054 123.594 -4.540 19148 794 1 4 . 1 1 33 33 ALA HA H 33 5.734 5.734 5.375 0.359 19148 795 1 4 . 1 1 33 33 ALA C C 33 177.886 177.886 176.539 1.347 19148 796 1 4 . 1 1 33 33 ALA CA C 33 50.635 50.635 49.949 0.686 19148 797 1 4 . 1 1 33 33 ALA CB C 33 22.649 22.649 21.880 0.769 19148 798 1 4 . 1 1 33 33 ALA H H 33 8.613 8.613 9.174 -0.560 19148 799 1 4 . 1 1 34 34 CYS N N 34 124.578 124.578 122.775 1.803 19148 800 1 4 . 1 1 34 34 CYS HA H 34 5.558 5.558 4.999 0.559 19148 801 1 4 . 1 1 34 34 CYS C C 34 177.472 177.472 177.037 0.435 19148 802 1 4 . 1 1 34 34 CYS CA C 34 56.727 56.727 56.653 0.074 19148 803 1 4 . 1 1 34 34 CYS CB C 34 32.362 32.362 30.141 2.221 19148 804 1 4 . 1 1 34 34 CYS H H 34 9.090 9.090 8.697 0.393 19148 805 1 4 . 1 1 35 35 GLU N N 35 121.981 121.981 119.036 2.945 19148 806 1 4 . 1 1 35 35 GLU HA H 35 4.202 4.202 4.166 0.036 19148 807 1 4 . 1 1 35 35 GLU C C 35 177.190 177.190 177.437 -0.247 19148 808 1 4 . 1 1 35 35 GLU CA C 35 59.031 59.031 58.648 0.383 19148 809 1 4 . 1 1 35 35 GLU CB C 35 29.893 29.893 28.725 1.168 19148 810 1 4 . 1 1 35 35 GLU H H 35 8.865 8.865 9.003 -0.138 19148 811 1 4 . 1 1 36 36 LYS N N 36 121.258 121.258 118.225 3.033 19148 812 1 4 . 1 1 36 36 LYS HA H 36 4.273 4.273 4.353 -0.080 19148 813 1 4 . 1 1 36 36 LYS C C 36 176.551 176.551 176.912 -0.361 19148 814 1 4 . 1 1 36 36 LYS CA C 36 55.986 55.986 56.042 -0.056 19148 815 1 4 . 1 1 36 36 LYS CB C 36 32.115 32.115 33.011 -0.896 19148 816 1 4 . 1 1 36 36 LYS H H 36 9.341 9.341 7.752 1.589 19148 817 1 4 . 1 1 37 37 GLY N N 37 107.582 107.582 106.387 1.195 19148 818 1 4 . 1 1 37 37 GLY C C 37 174.746 174.746 174.312 0.434 19148 819 1 4 . 1 1 37 37 GLY CA C 37 45.367 45.367 44.815 0.552 19148 820 1 4 . 1 1 37 37 GLY H H 37 7.902 7.902 7.651 0.251 19148 821 1 4 . 1 1 38 38 HIS N N 38 122.025 122.025 121.729 0.296 19148 822 1 4 . 1 1 38 38 HIS HA H 38 4.905 4.905 4.451 0.454 19148 823 1 4 . 1 1 38 38 HIS C C 38 174.351 174.351 174.981 -0.630 19148 824 1 4 . 1 1 38 38 HIS CA C 38 56.644 56.644 56.740 -0.097 19148 825 1 4 . 1 1 38 38 HIS CB C 38 30.880 30.880 29.224 1.655 19148 826 1 4 . 1 1 38 38 HIS H H 38 7.812 7.812 7.850 -0.038 19148 827 1 4 . 1 1 39 39 ARG N N 39 122.401 122.401 125.768 -3.367 19148 828 1 4 . 1 1 39 39 ARG HA H 39 5.717 5.717 5.621 0.096 19148 829 1 4 . 1 1 39 39 ARG C C 39 175.573 175.573 175.912 -0.339 19148 830 1 4 . 1 1 39 39 ARG CA C 39 54.863 54.863 55.326 -0.463 19148 831 1 4 . 1 1 39 39 ARG CB C 39 33.597 33.597 32.309 1.288 19148 832 1 4 . 1 1 39 39 ARG H H 39 8.473 8.473 8.323 0.150 19148 833 1 4 . 1 1 40 40 PHE N N 40 119.867 119.867 120.032 -0.165 19148 834 1 4 . 1 1 40 40 PHE HA H 40 5.104 5.104 5.042 0.062 19148 835 1 4 . 1 1 40 40 PHE C C 40 171.945 171.945 173.542 -1.597 19148 836 1 4 . 1 1 40 40 PHE CA C 40 55.903 55.903 55.953 -0.050 19148 837 1 4 . 1 1 40 40 PHE CB C 40 40.346 40.346 41.778 -1.432 19148 838 1 4 . 1 1 40 40 PHE H H 40 8.531 8.531 8.821 -0.290 19148 839 1 4 . 1 1 41 41 GLU N N 41 118.749 118.749 122.776 -4.027 19148 840 1 4 . 1 1 41 41 GLU HA H 41 5.361 5.361 5.547 -0.186 19148 841 1 4 . 1 1 41 41 GLU C C 41 176.532 176.532 176.025 0.507 19148 842 1 4 . 1 1 41 41 GLU CA C 41 54.175 54.175 55.030 -0.855 19148 843 1 4 . 1 1 41 41 GLU CB C 41 33.103 33.103 31.866 1.237 19148 844 1 4 . 1 1 41 41 GLU H H 41 8.478 8.478 8.738 -0.260 19148 845 1 4 . 1 1 42 42 MET N N 42 121.000 121.000 121.256 -0.256 19148 846 1 4 . 1 1 42 42 MET HA H 42 5.148 5.148 4.998 0.150 19148 847 1 4 . 1 1 42 42 MET C C 42 173.862 173.862 173.565 0.297 19148 848 1 4 . 1 1 42 42 MET CA C 42 51.047 51.047 52.494 -1.447 19148 849 1 4 . 1 1 42 42 MET CB C 42 34.914 34.914 36.420 -1.506 19148 850 1 4 . 1 1 42 42 MET H H 42 8.926 8.926 8.736 0.190 19148 851 1 4 . 1 1 43 43 PRO HA H 43 4.978 4.978 4.923 0.055 19148 852 1 4 . 1 1 43 43 PRO C C 43 176.006 176.006 175.479 0.527 19148 853 1 4 . 1 1 43 43 PRO CA C 43 61.739 61.739 62.669 -0.930 19148 854 1 4 . 1 1 43 43 PRO CB C 43 31.292 31.292 31.805 -0.513 19148 855 1 4 . 1 1 44 44 PHE N N 44 119.990 119.990 123.940 -3.950 19148 856 1 4 . 1 1 44 44 PHE HA H 44 4.786 4.786 4.765 0.021 19148 857 1 4 . 1 1 44 44 PHE C C 44 175.216 175.216 175.048 0.168 19148 858 1 4 . 1 1 44 44 PHE CA C 44 56.480 56.480 56.436 0.044 19148 859 1 4 . 1 1 44 44 PHE CB C 44 42.404 42.404 42.958 -0.554 19148 860 1 4 . 1 1 44 44 PHE H H 44 8.135 8.135 9.381 -1.246 19148 861 1 4 . 1 1 45 45 SER N N 45 116.512 116.512 116.547 -0.035 19148 862 1 4 . 1 1 45 45 SER HA H 45 4.596 4.596 4.531 0.065 19148 863 1 4 . 1 1 45 45 SER C C 45 175.742 175.742 175.652 0.090 19148 864 1 4 . 1 1 45 45 SER CA C 45 58.044 58.044 57.372 0.672 19148 865 1 4 . 1 1 45 45 SER CB C 45 63.970 63.970 63.947 0.023 19148 866 1 4 . 1 1 45 45 SER H H 45 8.483 8.483 8.610 -0.127 19148 867 1 4 . 1 1 46 46 VAL N N 46 120.000 120.000 127.845 -7.845 19148 868 1 4 . 1 1 46 46 VAL HA H 46 4.054 4.054 3.993 0.061 19148 869 1 4 . 1 1 46 46 VAL C C 46 176.400 176.400 175.471 0.929 19148 870 1 4 . 1 1 46 46 VAL CA C 46 63.888 63.888 63.592 0.297 19148 871 1 4 . 1 1 46 46 VAL CB C 46 31.950 31.950 32.163 -0.213 19148 872 1 4 . 1 1 46 46 VAL H H 46 8.220 8.220 9.035 -0.815 19148 873 1 4 . 1 1 47 47 GLU N N 47 120.013 120.013 118.667 1.346 19148 874 1 4 . 1 1 47 47 GLU HA H 47 4.247 4.247 4.488 -0.241 19148 875 1 4 . 1 1 47 47 GLU C C 47 176.006 176.006 175.119 0.887 19148 876 1 4 . 1 1 47 47 GLU CA C 47 56.974 56.974 55.051 1.923 19148 877 1 4 . 1 1 47 47 GLU CB C 47 29.481 29.481 29.724 -0.243 19148 878 1 4 . 1 1 47 47 GLU H H 47 8.401 8.401 7.620 0.781 19148 879 1 4 . 1 1 48 48 ALA N N 48 122.458 122.458 122.872 -0.414 19148 880 1 4 . 1 1 48 48 ALA HA H 48 4.353 4.353 4.685 -0.332 19148 881 1 4 . 1 1 48 48 ALA C C 48 176.870 176.870 176.193 0.677 19148 882 1 4 . 1 1 48 48 ALA CA C 48 52.199 52.199 50.832 1.367 19148 883 1 4 . 1 1 48 48 ALA CB C 48 20.591 20.591 21.241 -0.650 19148 884 1 4 . 1 1 48 48 ALA H H 48 7.542 7.542 7.392 0.150 19148 885 1 4 . 1 1 49 49 GLU N N 49 119.217 119.217 120.793 -1.576 19148 886 1 4 . 1 1 49 49 GLU HA H 49 4.268 4.268 4.343 -0.075 19148 887 1 4 . 1 1 49 49 GLU C C 49 175.761 175.761 175.593 0.168 19148 888 1 4 . 1 1 49 49 GLU CA C 49 55.903 55.903 55.301 0.602 19148 889 1 4 . 1 1 49 49 GLU CB C 49 30.140 30.140 28.939 1.201 19148 890 1 4 . 1 1 49 49 GLU H H 49 8.061 8.061 8.606 -0.545 19148 891 1 4 . 1 1 50 50 ILE N N 50 126.270 126.270 125.294 0.976 19148 892 1 4 . 1 1 50 50 ILE HA H 50 3.908 3.908 3.690 0.218 19148 893 1 4 . 1 1 50 50 ILE C C 50 174.483 174.483 174.767 -0.284 19148 894 1 4 . 1 1 50 50 ILE CA C 50 58.126 58.126 57.101 1.025 19148 895 1 4 . 1 1 50 50 ILE CB C 50 38.371 38.371 36.366 2.005 19148 896 1 4 . 1 1 50 50 ILE H H 50 8.152 8.152 7.533 0.619 19148 897 1 4 . 1 1 52 52 PRO HA H 52 4.554 4.554 4.330 0.224 19148 898 1 4 . 1 1 52 52 PRO C C 52 175.742 175.742 175.909 -0.167 19148 899 1 4 . 1 1 52 52 PRO CA C 52 64.490 64.490 64.172 0.317 19148 900 1 4 . 1 1 52 52 PRO CB C 52 32.330 32.330 32.197 0.133 19148 901 1 4 . 1 1 53 53 GLU N N 53 114.593 114.593 113.002 1.591 19148 902 1 4 . 1 1 53 53 GLU HA H 53 5.682 5.682 4.956 0.726 19148 903 1 4 . 1 1 53 53 GLU C C 53 173.844 173.844 174.625 -0.781 19148 904 1 4 . 1 1 53 53 GLU CA C 53 53.906 53.906 54.828 -0.922 19148 905 1 4 . 1 1 53 53 GLU CB C 53 34.008 34.008 32.802 1.206 19148 906 1 4 . 1 1 53 53 GLU H H 53 7.387 7.387 7.689 -0.302 19148 907 1 4 . 1 1 54 54 TRP N N 54 122.688 122.688 122.522 0.166 19148 908 1 4 . 1 1 54 54 TRP HA H 54 4.301 4.301 4.867 -0.566 19148 909 1 4 . 1 1 54 54 TRP C C 54 174.013 174.013 174.176 -0.163 19148 910 1 4 . 1 1 54 54 TRP CA C 54 56.397 56.397 56.465 -0.068 19148 911 1 4 . 1 1 54 54 TRP CB C 54 32.444 32.444 33.305 -0.861 19148 912 1 4 . 1 1 54 54 TRP H H 54 9.030 9.030 9.404 -0.374 19148 913 1 4 . 1 1 55 55 GLU N N 55 125.661 125.661 123.139 2.522 19148 914 1 4 . 1 1 55 55 GLU HA H 55 4.063 4.063 4.232 -0.169 19148 915 1 4 . 1 1 55 55 GLU C C 55 175.893 175.893 175.445 0.448 19148 916 1 4 . 1 1 55 55 GLU CA C 55 57.056 57.056 57.214 -0.158 19148 917 1 4 . 1 1 55 55 GLU CB C 55 30.386 30.386 30.677 -0.291 19148 918 1 4 . 1 1 55 55 GLU H H 55 7.143 7.143 8.063 -0.920 19148 919 1 4 . 1 1 56 56 CYS N N 56 126.844 126.844 126.487 0.357 19148 920 1 4 . 1 1 56 56 CYS HA H 56 4.300 4.300 4.503 -0.203 19148 921 1 4 . 1 1 56 56 CYS C C 56 177.998 177.998 175.463 2.535 19148 922 1 4 . 1 1 56 56 CYS CA C 56 60.925 60.925 58.823 2.102 19148 923 1 4 . 1 1 56 56 CYS CB C 56 30.304 30.304 26.196 4.108 19148 924 1 4 . 1 1 56 56 CYS H H 56 9.476 9.476 8.983 0.493 19148 925 1 4 . 1 1 57 57 LYS N N 57 130.306 130.306 128.271 2.035 19148 926 1 4 . 1 1 57 57 LYS HA H 57 3.874 3.874 4.195 -0.321 19148 927 1 4 . 1 1 57 57 LYS C C 57 175.686 175.686 175.973 -0.287 19148 928 1 4 . 1 1 57 57 LYS CA C 57 57.961 57.961 57.202 0.759 19148 929 1 4 . 1 1 57 57 LYS CB C 57 33.020 33.020 31.701 1.319 19148 930 1 4 . 1 1 57 57 LYS H H 57 5.816 5.816 8.426 -2.610 19148 931 1 4 . 1 1 58 58 VAL N N 58 121.332 121.332 117.803 3.529 19148 932 1 4 . 1 1 58 58 VAL HA H 58 3.707 3.707 3.860 -0.153 19148 933 1 4 . 1 1 58 58 VAL C C 58 177.397 177.397 176.611 0.786 19148 934 1 4 . 1 1 58 58 VAL CA C 58 64.958 64.958 64.600 0.358 19148 935 1 4 . 1 1 58 58 VAL CB C 58 32.436 32.436 32.502 -0.066 19148 936 1 4 . 1 1 58 58 VAL H H 58 8.883 8.883 7.294 1.589 19148 937 1 4 . 1 1 59 59 CYS N N 59 117.752 117.752 117.410 0.342 19148 938 1 4 . 1 1 59 59 CYS HA H 59 5.061 5.061 4.654 0.407 19148 939 1 4 . 1 1 59 59 CYS C C 59 176.795 176.795 174.805 1.990 19148 940 1 4 . 1 1 59 59 CYS CA C 59 58.867 58.867 58.682 0.185 19148 941 1 4 . 1 1 59 59 CYS CB C 59 34.255 34.255 29.361 4.894 19148 942 1 4 . 1 1 59 59 CYS H H 59 8.310 8.310 8.127 0.183 19148 943 1 4 . 1 1 60 60 GLY N N 60 113.490 113.490 110.370 3.120 19148 944 1 4 . 1 1 60 60 GLY C C 60 173.110 173.110 172.840 0.270 19148 945 1 4 . 1 1 60 60 GLY CA C 60 46.355 46.355 45.041 1.314 19148 946 1 4 . 1 1 60 60 GLY H H 60 8.078 8.078 7.741 0.337 19148 947 1 4 . 1 1 61 61 ALA N N 61 124.940 124.940 122.291 2.649 19148 948 1 4 . 1 1 61 61 ALA HA H 61 4.518 4.518 4.568 -0.050 19148 949 1 4 . 1 1 61 61 ALA C C 61 175.724 175.724 174.759 0.965 19148 950 1 4 . 1 1 61 61 ALA CA C 61 52.117 52.117 52.120 -0.003 19148 951 1 4 . 1 1 61 61 ALA CB C 61 21.167 21.167 20.469 0.698 19148 952 1 4 . 1 1 61 61 ALA H H 61 8.516 8.516 7.505 1.011 19148 953 1 4 . 1 1 62 62 GLN N N 62 118.486 118.486 118.897 -0.411 19148 954 1 4 . 1 1 62 62 GLN HA H 62 4.183 4.183 4.575 -0.392 19148 955 1 4 . 1 1 62 62 GLN C C 62 174.915 174.915 174.139 0.776 19148 956 1 4 . 1 1 62 62 GLN CA C 62 57.632 57.632 54.872 2.760 19148 957 1 4 . 1 1 62 62 GLN CB C 62 29.728 29.728 31.385 -1.657 19148 958 1 4 . 1 1 62 62 GLN H H 62 8.492 8.492 8.697 -0.205 19148 959 1 4 . 1 1 63 63 ALA N N 63 129.224 129.224 125.986 3.238 19148 960 1 4 . 1 1 63 63 ALA HA H 63 4.926 4.926 4.916 0.010 19148 961 1 4 . 1 1 63 63 ALA C C 63 175.197 175.197 175.184 0.013 19148 962 1 4 . 1 1 63 63 ALA CA C 63 50.306 50.306 50.372 -0.066 19148 963 1 4 . 1 1 63 63 ALA CB C 63 21.744 21.744 22.485 -0.741 19148 964 1 4 . 1 1 63 63 ALA H H 63 8.863 8.863 9.271 -0.408 19148 965 1 4 . 1 1 64 64 LEU N N 64 121.213 121.213 122.423 -1.210 19148 966 1 4 . 1 1 64 64 LEU HA H 64 5.210 5.210 4.978 0.232 19148 967 1 4 . 1 1 64 64 LEU C C 64 177.322 177.322 176.287 1.035 19148 968 1 4 . 1 1 64 64 LEU CA C 64 53.928 53.928 53.288 0.640 19148 969 1 4 . 1 1 64 64 LEU CB C 64 44.874 44.874 44.552 0.322 19148 970 1 4 . 1 1 64 64 LEU H H 64 8.137 8.137 9.012 -0.875 19148 971 1 4 . 1 1 65 65 LEU N N 65 123.951 123.951 126.409 -2.458 19148 972 1 4 . 1 1 65 65 LEU HA H 65 3.655 3.655 4.087 -0.432 19148 973 1 4 . 1 1 65 65 LEU C C 65 177.058 177.058 175.906 1.152 19148 974 1 4 . 1 1 65 65 LEU CA C 65 55.739 55.739 53.913 1.826 19148 975 1 4 . 1 1 65 65 LEU CB C 65 43.145 43.145 41.125 2.020 19148 976 1 4 . 1 1 65 65 LEU H H 65 7.619 7.619 8.646 -1.027 19148 977 1 4 . 1 1 66 66 VAL N N 66 127.050 127.050 123.535 3.515 19148 978 1 4 . 1 1 66 66 VAL HA H 66 3.928 3.928 4.210 -0.282 19148 979 1 4 . 1 1 66 66 VAL C C 66 175.536 175.536 175.660 -0.124 19148 980 1 4 . 1 1 66 66 VAL CA C 66 62.735 62.735 60.957 1.778 19148 981 1 4 . 1 1 66 66 VAL CB C 66 32.280 32.280 32.469 -0.189 19148 982 1 4 . 1 1 66 66 VAL H H 66 8.392 8.392 8.358 0.034 19148 983 1 4 . 1 1 67 67 ASP N N 67 125.550 125.550 124.071 1.479 19148 984 1 4 . 1 1 67 67 ASP HA H 67 4.626 4.626 4.266 0.360 19148 985 1 4 . 1 1 67 67 ASP C C 67 176.269 176.269 175.138 1.131 19148 986 1 4 . 1 1 67 67 ASP CA C 67 53.928 53.928 55.404 -1.476 19148 987 1 4 . 1 1 67 67 ASP CB C 67 41.663 41.663 39.536 2.127 19148 988 1 4 . 1 1 67 67 ASP H H 67 8.278 8.278 8.837 -0.559 19148 989 1 4 . 1 1 68 68 GLY N N 68 109.554 109.554 105.389 4.165 19148 990 1 4 . 1 1 68 68 GLY C C 68 173.806 173.806 173.422 0.384 19148 991 1 4 . 1 1 68 68 GLY CA C 68 45.532 45.532 44.266 1.266 19148 992 1 4 . 1 1 68 68 GLY H H 68 8.303 8.303 8.094 0.209 19148 993 1 4 . 1 1 69 69 ASP N N 69 120.592 120.592 123.083 -2.491 19148 994 1 4 . 1 1 69 69 ASP HA H 69 4.702 4.702 4.420 0.282 19148 995 1 4 . 1 1 69 69 ASP C C 69 176.476 176.476 176.532 -0.056 19148 996 1 4 . 1 1 69 69 ASP CA C 69 54.175 54.175 53.908 0.267 19148 997 1 4 . 1 1 69 69 ASP CB C 69 41.499 41.499 39.399 2.100 19148 998 1 4 . 1 1 69 69 ASP H H 69 8.276 8.276 8.307 -0.031 19148 999 1 4 . 1 1 70 70 GLY N N 70 108.866 108.866 110.747 -1.881 19148 1000 1 4 . 1 1 70 70 GLY C C 70 172.001 172.001 172.281 -0.280 19148 1001 1 4 . 1 1 70 70 GLY CA C 70 44.791 44.791 44.790 0.001 19148 1002 1 4 . 1 1 70 70 GLY H H 70 8.175 8.175 8.044 0.131 19148 1003 1 4 . 1 1 71 71 PRO HA H 71 4.423 4.423 4.666 -0.243 19148 1004 1 4 . 1 1 71 71 PRO C C 71 177.171 177.171 176.245 0.926 19148 1005 1 4 . 1 1 71 71 PRO CA C 71 63.312 63.312 62.751 0.561 19148 1006 1 4 . 1 1 71 71 PRO CB C 71 32.197 32.197 31.992 0.205 19148 1007 1 4 . 1 1 72 72 GLU N N 72 120.852 120.852 123.801 -2.949 19148 1008 1 4 . 1 1 72 72 GLU HA H 72 4.256 4.256 4.016 0.240 19148 1009 1 4 . 1 1 72 72 GLU C C 72 176.494 176.494 176.849 -0.355 19148 1010 1 4 . 1 1 72 72 GLU CA C 72 56.727 56.727 57.188 -0.461 19148 1011 1 4 . 1 1 72 72 GLU CB C 72 30.386 30.386 29.807 0.579 19148 1012 1 4 . 1 1 72 72 GLU H H 72 8.466 8.466 8.364 0.102 19148 1013 1 4 . 1 1 73 73 GLU N N 73 122.189 122.189 121.953 0.236 19148 1014 1 4 . 1 1 73 73 GLU HA H 73 1.984 1.984 3.983 -1.999 19148 1015 1 4 . 1 1 73 73 GLU C C 73 176.043 176.043 175.018 1.025 19148 1016 1 4 . 1 1 73 73 GLU CA C 73 56.644 56.644 57.719 -1.075 19148 1017 1 4 . 1 1 73 73 GLU CB C 73 30.386 30.386 28.119 2.267 19148 1018 1 4 . 1 1 73 73 GLU H H 73 8.292 8.292 8.710 -0.418 19148 1019 1 4 . 1 1 74 74 LYS N N 74 123.989 123.989 119.689 4.300 19148 1020 1 4 . 1 1 74 74 LYS HA H 74 4.369 4.369 4.410 -0.041 19148 1021 1 4 . 1 1 74 74 LYS C C 74 175.423 175.423 176.484 -1.061 19148 1022 1 4 . 1 1 74 74 LYS CA C 74 56.397 56.397 56.209 0.188 19148 1023 1 4 . 1 1 74 74 LYS CB C 74 32.938 32.938 33.796 -0.858 19148 1024 1 4 . 1 1 74 74 LYS H H 74 8.309 8.309 8.205 0.104 19148 1025 1 5 . 1 1 29 29 ALA N N 29 125.100 125.100 124.325 0.775 19148 1026 1 5 . 1 1 29 29 ALA HA H 29 4.817 4.817 4.955 -0.138 19148 1027 1 5 . 1 1 29 29 ALA C C 29 176.438 176.438 174.924 1.514 19148 1028 1 5 . 1 1 29 29 ALA CA C 29 51.870 51.870 50.923 0.947 19148 1029 1 5 . 1 1 29 29 ALA CB C 29 20.920 20.920 22.597 -1.677 19148 1030 1 5 . 1 1 29 29 ALA H H 29 8.267 8.267 8.127 0.140 19148 1031 1 5 . 1 1 30 30 VAL N N 30 118.800 118.800 117.798 1.002 19148 1032 1 5 . 1 1 30 30 VAL HA H 30 4.350 4.350 4.410 -0.060 19148 1033 1 5 . 1 1 30 30 VAL C C 30 173.844 173.844 174.346 -0.502 19148 1034 1 5 . 1 1 30 30 VAL CA C 30 60.842 60.842 60.028 0.814 19148 1035 1 5 . 1 1 30 30 VAL CB C 30 33.926 33.926 33.952 -0.026 19148 1036 1 5 . 1 1 30 30 VAL H H 30 8.363 8.363 7.881 0.482 19148 1037 1 5 . 1 1 31 31 GLU N N 31 122.726 122.726 125.702 -2.976 19148 1038 1 5 . 1 1 31 31 GLU HA H 31 5.020 5.020 4.966 0.054 19148 1039 1 5 . 1 1 31 31 GLU C C 31 173.712 173.712 174.780 -1.068 19148 1040 1 5 . 1 1 31 31 GLU CA C 31 54.916 54.916 54.195 0.721 19148 1041 1 5 . 1 1 31 31 GLU CB C 31 33.679 33.679 32.441 1.238 19148 1042 1 5 . 1 1 31 31 GLU H H 31 8.278 8.278 8.378 -0.100 19148 1043 1 5 . 1 1 32 32 TYR N N 32 120.248 120.248 125.291 -5.043 19148 1044 1 5 . 1 1 32 32 TYR HA H 32 4.731 4.731 4.893 -0.162 19148 1045 1 5 . 1 1 32 32 TYR C C 32 174.389 174.389 173.937 0.452 19148 1046 1 5 . 1 1 32 32 TYR CA C 32 57.056 57.056 56.175 0.881 19148 1047 1 5 . 1 1 32 32 TYR CB C 32 43.063 43.063 41.692 1.371 19148 1048 1 5 . 1 1 32 32 TYR H H 32 8.243 8.243 8.873 -0.630 19148 1049 1 5 . 1 1 33 33 ALA N N 33 119.054 119.054 124.877 -5.823 19148 1050 1 5 . 1 1 33 33 ALA HA H 33 5.734 5.734 5.316 0.418 19148 1051 1 5 . 1 1 33 33 ALA C C 33 177.886 177.886 176.002 1.884 19148 1052 1 5 . 1 1 33 33 ALA CA C 33 50.635 50.635 49.778 0.857 19148 1053 1 5 . 1 1 33 33 ALA CB C 33 22.649 22.649 21.121 1.528 19148 1054 1 5 . 1 1 33 33 ALA H H 33 8.613 8.613 9.193 -0.580 19148 1055 1 5 . 1 1 34 34 CYS N N 34 124.578 124.578 125.190 -0.612 19148 1056 1 5 . 1 1 34 34 CYS HA H 34 5.558 5.558 4.825 0.733 19148 1057 1 5 . 1 1 34 34 CYS C C 34 177.472 177.472 176.724 0.748 19148 1058 1 5 . 1 1 34 34 CYS CA C 34 56.727 56.727 57.361 -0.633 19148 1059 1 5 . 1 1 34 34 CYS CB C 34 32.362 32.362 29.876 2.486 19148 1060 1 5 . 1 1 34 34 CYS H H 34 9.090 9.090 9.259 -0.169 19148 1061 1 5 . 1 1 35 35 GLU N N 35 121.981 121.981 124.773 -2.792 19148 1062 1 5 . 1 1 35 35 GLU HA H 35 4.202 4.202 4.137 0.065 19148 1063 1 5 . 1 1 35 35 GLU C C 35 177.190 177.190 177.103 0.087 19148 1064 1 5 . 1 1 35 35 GLU CA C 35 59.031 59.031 58.506 0.525 19148 1065 1 5 . 1 1 35 35 GLU CB C 35 29.893 29.893 29.041 0.852 19148 1066 1 5 . 1 1 35 35 GLU H H 35 8.865 8.865 9.123 -0.258 19148 1067 1 5 . 1 1 36 36 LYS N N 36 121.258 121.258 119.794 1.464 19148 1068 1 5 . 1 1 36 36 LYS HA H 36 4.273 4.273 4.285 -0.012 19148 1069 1 5 . 1 1 36 36 LYS C C 36 176.551 176.551 177.216 -0.665 19148 1070 1 5 . 1 1 36 36 LYS CA C 36 55.986 55.986 56.367 -0.381 19148 1071 1 5 . 1 1 36 36 LYS CB C 36 32.115 32.115 33.036 -0.921 19148 1072 1 5 . 1 1 36 36 LYS H H 36 9.341 9.341 7.762 1.579 19148 1073 1 5 . 1 1 37 37 GLY N N 37 107.582 107.582 106.227 1.355 19148 1074 1 5 . 1 1 37 37 GLY C C 37 174.746 174.746 173.688 1.058 19148 1075 1 5 . 1 1 37 37 GLY CA C 37 45.367 45.367 44.969 0.398 19148 1076 1 5 . 1 1 37 37 GLY H H 37 7.902 7.902 7.917 -0.015 19148 1077 1 5 . 1 1 38 38 HIS N N 38 122.025 122.025 120.724 1.301 19148 1078 1 5 . 1 1 38 38 HIS HA H 38 4.905 4.905 4.683 0.222 19148 1079 1 5 . 1 1 38 38 HIS C C 38 174.351 174.351 174.350 0.001 19148 1080 1 5 . 1 1 38 38 HIS CA C 38 56.644 56.644 56.894 -0.250 19148 1081 1 5 . 1 1 38 38 HIS CB C 38 30.880 30.880 30.080 0.800 19148 1082 1 5 . 1 1 38 38 HIS H H 38 7.812 7.812 8.478 -0.666 19148 1083 1 5 . 1 1 39 39 ARG N N 39 122.401 122.401 123.922 -1.521 19148 1084 1 5 . 1 1 39 39 ARG HA H 39 5.717 5.717 5.597 0.120 19148 1085 1 5 . 1 1 39 39 ARG C C 39 175.573 175.573 175.620 -0.047 19148 1086 1 5 . 1 1 39 39 ARG CA C 39 54.863 54.863 54.968 -0.105 19148 1087 1 5 . 1 1 39 39 ARG CB C 39 33.597 33.597 33.364 0.233 19148 1088 1 5 . 1 1 39 39 ARG H H 39 8.473 8.473 8.723 -0.250 19148 1089 1 5 . 1 1 40 40 PHE N N 40 119.867 119.867 117.829 2.038 19148 1090 1 5 . 1 1 40 40 PHE HA H 40 5.104 5.104 4.998 0.106 19148 1091 1 5 . 1 1 40 40 PHE C C 40 171.945 171.945 173.254 -1.309 19148 1092 1 5 . 1 1 40 40 PHE CA C 40 55.903 55.903 56.276 -0.373 19148 1093 1 5 . 1 1 40 40 PHE CB C 40 40.346 40.346 42.029 -1.683 19148 1094 1 5 . 1 1 40 40 PHE H H 40 8.531 8.531 8.588 -0.057 19148 1095 1 5 . 1 1 41 41 GLU N N 41 118.749 118.749 120.782 -2.033 19148 1096 1 5 . 1 1 41 41 GLU HA H 41 5.361 5.361 5.670 -0.309 19148 1097 1 5 . 1 1 41 41 GLU C C 41 176.532 176.532 175.399 1.133 19148 1098 1 5 . 1 1 41 41 GLU CA C 41 54.175 54.175 54.470 -0.295 19148 1099 1 5 . 1 1 41 41 GLU CB C 41 33.103 33.103 32.451 0.652 19148 1100 1 5 . 1 1 41 41 GLU H H 41 8.478 8.478 8.739 -0.261 19148 1101 1 5 . 1 1 42 42 MET N N 42 121.000 121.000 119.644 1.356 19148 1102 1 5 . 1 1 42 42 MET HA H 42 5.148 5.148 5.039 0.109 19148 1103 1 5 . 1 1 42 42 MET C C 42 173.862 173.862 173.626 0.236 19148 1104 1 5 . 1 1 42 42 MET CA C 42 51.047 51.047 52.590 -1.543 19148 1105 1 5 . 1 1 42 42 MET CB C 42 34.914 34.914 36.457 -1.543 19148 1106 1 5 . 1 1 42 42 MET H H 42 8.926 8.926 8.664 0.262 19148 1107 1 5 . 1 1 43 43 PRO HA H 43 4.978 4.978 4.614 0.364 19148 1108 1 5 . 1 1 43 43 PRO C C 43 176.006 176.006 175.338 0.668 19148 1109 1 5 . 1 1 43 43 PRO CA C 43 61.739 61.739 63.049 -1.310 19148 1110 1 5 . 1 1 43 43 PRO CB C 43 31.292 31.292 31.430 -0.138 19148 1111 1 5 . 1 1 44 44 PHE N N 44 119.990 119.990 123.781 -3.791 19148 1112 1 5 . 1 1 44 44 PHE HA H 44 4.786 4.786 4.683 0.103 19148 1113 1 5 . 1 1 44 44 PHE C C 44 175.216 175.216 174.757 0.459 19148 1114 1 5 . 1 1 44 44 PHE CA C 44 56.480 56.480 56.585 -0.105 19148 1115 1 5 . 1 1 44 44 PHE CB C 44 42.404 42.404 42.577 -0.173 19148 1116 1 5 . 1 1 44 44 PHE H H 44 8.135 8.135 7.889 0.246 19148 1117 1 5 . 1 1 45 45 SER N N 45 116.512 116.512 115.919 0.593 19148 1118 1 5 . 1 1 45 45 SER HA H 45 4.596 4.596 4.621 -0.025 19148 1119 1 5 . 1 1 45 45 SER C C 45 175.742 175.742 175.647 0.095 19148 1120 1 5 . 1 1 45 45 SER CA C 45 58.044 58.044 56.820 1.224 19148 1121 1 5 . 1 1 45 45 SER CB C 45 63.970 63.970 64.325 -0.355 19148 1122 1 5 . 1 1 45 45 SER H H 45 8.483 8.483 8.509 -0.026 19148 1123 1 5 . 1 1 46 46 VAL N N 46 120.000 120.000 127.929 -7.929 19148 1124 1 5 . 1 1 46 46 VAL HA H 46 4.054 4.054 3.993 0.061 19148 1125 1 5 . 1 1 46 46 VAL C C 46 176.400 176.400 175.789 0.611 19148 1126 1 5 . 1 1 46 46 VAL CA C 46 63.888 63.888 63.793 0.095 19148 1127 1 5 . 1 1 46 46 VAL CB C 46 31.950 31.950 32.119 -0.169 19148 1128 1 5 . 1 1 46 46 VAL H H 46 8.220 8.220 8.904 -0.684 19148 1129 1 5 . 1 1 47 47 GLU N N 47 120.013 120.013 118.675 1.338 19148 1130 1 5 . 1 1 47 47 GLU HA H 47 4.247 4.247 4.418 -0.171 19148 1131 1 5 . 1 1 47 47 GLU C C 47 176.006 176.006 175.362 0.644 19148 1132 1 5 . 1 1 47 47 GLU CA C 47 56.974 56.974 55.296 1.678 19148 1133 1 5 . 1 1 47 47 GLU CB C 47 29.481 29.481 29.654 -0.173 19148 1134 1 5 . 1 1 47 47 GLU H H 47 8.401 8.401 7.654 0.747 19148 1135 1 5 . 1 1 48 48 ALA N N 48 122.458 122.458 122.736 -0.278 19148 1136 1 5 . 1 1 48 48 ALA HA H 48 4.353 4.353 4.545 -0.192 19148 1137 1 5 . 1 1 48 48 ALA C C 48 176.870 176.870 176.910 -0.040 19148 1138 1 5 . 1 1 48 48 ALA CA C 48 52.199 52.199 51.021 1.178 19148 1139 1 5 . 1 1 48 48 ALA CB C 48 20.591 20.591 20.567 0.024 19148 1140 1 5 . 1 1 48 48 ALA H H 48 7.542 7.542 7.313 0.229 19148 1141 1 5 . 1 1 49 49 GLU N N 49 119.217 119.217 120.831 -1.614 19148 1142 1 5 . 1 1 49 49 GLU HA H 49 4.268 4.268 4.363 -0.095 19148 1143 1 5 . 1 1 49 49 GLU C C 49 175.761 175.761 175.043 0.718 19148 1144 1 5 . 1 1 49 49 GLU CA C 49 55.903 55.903 55.403 0.500 19148 1145 1 5 . 1 1 49 49 GLU CB C 49 30.140 30.140 28.542 1.598 19148 1146 1 5 . 1 1 49 49 GLU H H 49 8.061 8.061 8.572 -0.511 19148 1147 1 5 . 1 1 50 50 ILE N N 50 126.270 126.270 125.139 1.131 19148 1148 1 5 . 1 1 50 50 ILE HA H 50 3.908 3.908 3.771 0.137 19148 1149 1 5 . 1 1 50 50 ILE C C 50 174.483 174.483 174.542 -0.059 19148 1150 1 5 . 1 1 50 50 ILE CA C 50 58.126 58.126 57.353 0.773 19148 1151 1 5 . 1 1 50 50 ILE CB C 50 38.371 38.371 36.141 2.230 19148 1152 1 5 . 1 1 50 50 ILE H H 50 8.152 8.152 7.472 0.680 19148 1153 1 5 . 1 1 52 52 PRO HA H 52 4.554 4.554 4.279 0.275 19148 1154 1 5 . 1 1 52 52 PRO C C 52 175.742 175.742 175.709 0.033 19148 1155 1 5 . 1 1 52 52 PRO CA C 52 64.490 64.490 64.745 -0.255 19148 1156 1 5 . 1 1 52 52 PRO CB C 52 32.330 32.330 31.990 0.340 19148 1157 1 5 . 1 1 53 53 GLU N N 53 114.593 114.593 114.274 0.319 19148 1158 1 5 . 1 1 53 53 GLU HA H 53 5.682 5.682 4.945 0.737 19148 1159 1 5 . 1 1 53 53 GLU C C 53 173.844 173.844 174.255 -0.411 19148 1160 1 5 . 1 1 53 53 GLU CA C 53 53.906 53.906 54.627 -0.721 19148 1161 1 5 . 1 1 53 53 GLU CB C 53 34.008 34.008 32.116 1.892 19148 1162 1 5 . 1 1 53 53 GLU H H 53 7.387 7.387 7.593 -0.206 19148 1163 1 5 . 1 1 54 54 TRP N N 54 122.688 122.688 122.329 0.359 19148 1164 1 5 . 1 1 54 54 TRP HA H 54 4.301 4.301 4.823 -0.522 19148 1165 1 5 . 1 1 54 54 TRP C C 54 174.013 174.013 174.077 -0.064 19148 1166 1 5 . 1 1 54 54 TRP CA C 54 56.397 56.397 56.325 0.072 19148 1167 1 5 . 1 1 54 54 TRP CB C 54 32.444 32.444 32.864 -0.419 19148 1168 1 5 . 1 1 54 54 TRP H H 54 9.030 9.030 9.356 -0.326 19148 1169 1 5 . 1 1 55 55 GLU N N 55 125.661 125.661 123.826 1.835 19148 1170 1 5 . 1 1 55 55 GLU HA H 55 4.063 4.063 4.279 -0.216 19148 1171 1 5 . 1 1 55 55 GLU C C 55 175.893 175.893 175.586 0.307 19148 1172 1 5 . 1 1 55 55 GLU CA C 55 57.056 57.056 57.496 -0.440 19148 1173 1 5 . 1 1 55 55 GLU CB C 55 30.386 30.386 30.442 -0.056 19148 1174 1 5 . 1 1 55 55 GLU H H 55 7.143 7.143 7.907 -0.764 19148 1175 1 5 . 1 1 56 56 CYS N N 56 126.844 126.844 127.067 -0.223 19148 1176 1 5 . 1 1 56 56 CYS HA H 56 4.300 4.300 4.609 -0.309 19148 1177 1 5 . 1 1 56 56 CYS C C 56 177.998 177.998 175.330 2.668 19148 1178 1 5 . 1 1 56 56 CYS CA C 56 60.925 60.925 58.572 2.353 19148 1179 1 5 . 1 1 56 56 CYS CB C 56 30.304 30.304 26.686 3.618 19148 1180 1 5 . 1 1 56 56 CYS H H 56 9.476 9.476 9.080 0.396 19148 1181 1 5 . 1 1 57 57 LYS N N 57 130.306 130.306 127.516 2.790 19148 1182 1 5 . 1 1 57 57 LYS HA H 57 3.874 3.874 4.173 -0.299 19148 1183 1 5 . 1 1 57 57 LYS C C 57 175.686 175.686 176.317 -0.631 19148 1184 1 5 . 1 1 57 57 LYS CA C 57 57.961 57.961 57.334 0.627 19148 1185 1 5 . 1 1 57 57 LYS CB C 57 33.020 33.020 31.897 1.123 19148 1186 1 5 . 1 1 57 57 LYS H H 57 5.816 5.816 8.414 -2.598 19148 1187 1 5 . 1 1 58 58 VAL N N 58 121.332 121.332 117.747 3.585 19148 1188 1 5 . 1 1 58 58 VAL HA H 58 3.707 3.707 3.791 -0.084 19148 1189 1 5 . 1 1 58 58 VAL C C 58 177.397 177.397 176.646 0.751 19148 1190 1 5 . 1 1 58 58 VAL CA C 58 64.958 64.958 64.566 0.392 19148 1191 1 5 . 1 1 58 58 VAL CB C 58 32.436 32.436 32.809 -0.373 19148 1192 1 5 . 1 1 58 58 VAL H H 58 8.883 8.883 7.249 1.634 19148 1193 1 5 . 1 1 59 59 CYS N N 59 117.752 117.752 116.482 1.270 19148 1194 1 5 . 1 1 59 59 CYS HA H 59 5.061 5.061 4.387 0.674 19148 1195 1 5 . 1 1 59 59 CYS C C 59 176.795 176.795 175.134 1.661 19148 1196 1 5 . 1 1 59 59 CYS CA C 59 58.867 58.867 58.849 0.018 19148 1197 1 5 . 1 1 59 59 CYS CB C 59 34.255 34.255 28.675 5.580 19148 1198 1 5 . 1 1 59 59 CYS H H 59 8.310 8.310 7.857 0.453 19148 1199 1 5 . 1 1 60 60 GLY N N 60 113.490 113.490 110.208 3.282 19148 1200 1 5 . 1 1 60 60 GLY C C 60 173.110 173.110 173.114 -0.004 19148 1201 1 5 . 1 1 60 60 GLY CA C 60 46.355 46.355 44.795 1.560 19148 1202 1 5 . 1 1 60 60 GLY H H 60 8.078 8.078 7.744 0.334 19148 1203 1 5 . 1 1 61 61 ALA N N 61 124.940 124.940 121.869 3.071 19148 1204 1 5 . 1 1 61 61 ALA HA H 61 4.518 4.518 4.648 -0.130 19148 1205 1 5 . 1 1 61 61 ALA C C 61 175.724 175.724 174.989 0.735 19148 1206 1 5 . 1 1 61 61 ALA CA C 61 52.117 52.117 51.926 0.191 19148 1207 1 5 . 1 1 61 61 ALA CB C 61 21.167 21.167 21.222 -0.055 19148 1208 1 5 . 1 1 61 61 ALA H H 61 8.516 8.516 7.539 0.977 19148 1209 1 5 . 1 1 62 62 GLN N N 62 118.486 118.486 119.732 -1.246 19148 1210 1 5 . 1 1 62 62 GLN HA H 62 4.183 4.183 4.621 -0.438 19148 1211 1 5 . 1 1 62 62 GLN C C 62 174.915 174.915 174.982 -0.067 19148 1212 1 5 . 1 1 62 62 GLN CA C 62 57.632 57.632 54.883 2.749 19148 1213 1 5 . 1 1 62 62 GLN CB C 62 29.728 29.728 30.395 -0.667 19148 1214 1 5 . 1 1 62 62 GLN H H 62 8.492 8.492 8.691 -0.199 19148 1215 1 5 . 1 1 63 63 ALA N N 63 129.224 129.224 129.799 -0.575 19148 1216 1 5 . 1 1 63 63 ALA HA H 63 4.926 4.926 4.793 0.133 19148 1217 1 5 . 1 1 63 63 ALA C C 63 175.197 175.197 175.506 -0.309 19148 1218 1 5 . 1 1 63 63 ALA CA C 63 50.306 50.306 50.607 -0.301 19148 1219 1 5 . 1 1 63 63 ALA CB C 63 21.744 21.744 21.441 0.303 19148 1220 1 5 . 1 1 63 63 ALA H H 63 8.863 8.863 9.385 -0.522 19148 1221 1 5 . 1 1 64 64 LEU N N 64 121.213 121.213 124.160 -2.947 19148 1222 1 5 . 1 1 64 64 LEU HA H 64 5.210 5.210 4.873 0.337 19148 1223 1 5 . 1 1 64 64 LEU C C 64 177.322 177.322 176.772 0.550 19148 1224 1 5 . 1 1 64 64 LEU CA C 64 53.928 53.928 53.516 0.412 19148 1225 1 5 . 1 1 64 64 LEU CB C 64 44.874 44.874 43.382 1.492 19148 1226 1 5 . 1 1 64 64 LEU H H 64 8.137 8.137 8.987 -0.850 19148 1227 1 5 . 1 1 65 65 LEU N N 65 123.951 123.951 126.713 -2.762 19148 1228 1 5 . 1 1 65 65 LEU HA H 65 3.655 3.655 4.173 -0.518 19148 1229 1 5 . 1 1 65 65 LEU C C 65 177.058 177.058 176.186 0.872 19148 1230 1 5 . 1 1 65 65 LEU CA C 65 55.739 55.739 54.526 1.214 19148 1231 1 5 . 1 1 65 65 LEU CB C 65 43.145 43.145 41.278 1.867 19148 1232 1 5 . 1 1 65 65 LEU H H 65 7.619 7.619 8.745 -1.126 19148 1233 1 5 . 1 1 66 66 VAL N N 66 127.050 127.050 123.274 3.776 19148 1234 1 5 . 1 1 66 66 VAL HA H 66 3.928 3.928 4.262 -0.334 19148 1235 1 5 . 1 1 66 66 VAL C C 66 175.536 175.536 175.368 0.168 19148 1236 1 5 . 1 1 66 66 VAL CA C 66 62.735 62.735 61.169 1.566 19148 1237 1 5 . 1 1 66 66 VAL CB C 66 32.280 32.280 32.524 -0.244 19148 1238 1 5 . 1 1 66 66 VAL H H 66 8.392 8.392 8.366 0.026 19148 1239 1 5 . 1 1 67 67 ASP N N 67 125.550 125.550 125.296 0.254 19148 1240 1 5 . 1 1 67 67 ASP HA H 67 4.626 4.626 4.305 0.321 19148 1241 1 5 . 1 1 67 67 ASP C C 67 176.269 176.269 175.696 0.573 19148 1242 1 5 . 1 1 67 67 ASP CA C 67 53.928 53.928 55.306 -1.378 19148 1243 1 5 . 1 1 67 67 ASP CB C 67 41.663 41.663 40.722 0.941 19148 1244 1 5 . 1 1 67 67 ASP H H 67 8.278 8.278 8.856 -0.578 19148 1245 1 5 . 1 1 68 68 GLY N N 68 109.554 109.554 109.228 0.326 19148 1246 1 5 . 1 1 68 68 GLY C C 68 173.806 173.806 173.136 0.670 19148 1247 1 5 . 1 1 68 68 GLY CA C 68 45.532 45.532 45.307 0.225 19148 1248 1 5 . 1 1 68 68 GLY H H 68 8.303 8.303 8.263 0.040 19148 1249 1 5 . 1 1 69 69 ASP N N 69 120.592 120.592 120.886 -0.294 19148 1250 1 5 . 1 1 69 69 ASP HA H 69 4.702 4.702 4.362 0.340 19148 1251 1 5 . 1 1 69 69 ASP C C 69 176.476 176.476 175.956 0.520 19148 1252 1 5 . 1 1 69 69 ASP CA C 69 54.175 54.175 55.029 -0.854 19148 1253 1 5 . 1 1 69 69 ASP CB C 69 41.499 41.499 39.713 1.786 19148 1254 1 5 . 1 1 69 69 ASP H H 69 8.276 8.276 8.250 0.026 19148 1255 1 5 . 1 1 70 70 GLY N N 70 108.866 108.866 105.749 3.117 19148 1256 1 5 . 1 1 70 70 GLY C C 70 172.001 172.001 171.848 0.153 19148 1257 1 5 . 1 1 70 70 GLY CA C 70 44.791 44.791 44.921 -0.130 19148 1258 1 5 . 1 1 70 70 GLY H H 70 8.175 8.175 7.785 0.390 19148 1259 1 5 . 1 1 71 71 PRO HA H 71 4.423 4.423 4.935 -0.512 19148 1260 1 5 . 1 1 71 71 PRO C C 71 177.171 177.171 176.259 0.912 19148 1261 1 5 . 1 1 71 71 PRO CA C 71 63.312 63.312 62.451 0.861 19148 1262 1 5 . 1 1 71 71 PRO CB C 71 32.197 32.197 31.822 0.375 19148 1263 1 5 . 1 1 72 72 GLU N N 72 120.852 120.852 123.203 -2.351 19148 1264 1 5 . 1 1 72 72 GLU HA H 72 4.256 4.256 4.073 0.183 19148 1265 1 5 . 1 1 72 72 GLU C C 72 176.494 176.494 177.550 -1.056 19148 1266 1 5 . 1 1 72 72 GLU CA C 72 56.727 56.727 56.709 0.018 19148 1267 1 5 . 1 1 72 72 GLU CB C 72 30.386 30.386 30.032 0.354 19148 1268 1 5 . 1 1 72 72 GLU H H 72 8.466 8.466 8.350 0.116 19148 1269 1 5 . 1 1 73 73 GLU N N 73 122.189 122.189 120.791 1.398 19148 1270 1 5 . 1 1 73 73 GLU HA H 73 1.984 1.984 3.873 -1.889 19148 1271 1 5 . 1 1 73 73 GLU C C 73 176.043 176.043 175.528 0.515 19148 1272 1 5 . 1 1 73 73 GLU CA C 73 56.644 56.644 59.434 -2.790 19148 1273 1 5 . 1 1 73 73 GLU CB C 73 30.386 30.386 28.297 2.089 19148 1274 1 5 . 1 1 73 73 GLU H H 73 8.292 8.292 8.754 -0.462 19148 1275 1 5 . 1 1 74 74 LYS N N 74 123.989 123.989 119.436 4.553 19148 1276 1 5 . 1 1 74 74 LYS HA H 74 4.369 4.369 4.067 0.302 19148 1277 1 5 . 1 1 74 74 LYS C C 74 175.423 175.423 177.075 -1.652 19148 1278 1 5 . 1 1 74 74 LYS CA C 74 56.397 56.397 57.532 -1.135 19148 1279 1 5 . 1 1 74 74 LYS CB C 74 32.938 32.938 32.979 -0.041 19148 1280 1 5 . 1 1 74 74 LYS H H 74 8.309 8.309 7.924 0.385 19148 1281 1 6 . 1 1 29 29 ALA N N 29 125.100 125.100 123.833 1.267 19148 1282 1 6 . 1 1 29 29 ALA HA H 29 4.817 4.817 4.865 -0.048 19148 1283 1 6 . 1 1 29 29 ALA C C 29 176.438 176.438 174.852 1.586 19148 1284 1 6 . 1 1 29 29 ALA CA C 29 51.870 51.870 51.204 0.666 19148 1285 1 6 . 1 1 29 29 ALA CB C 29 20.920 20.920 22.287 -1.367 19148 1286 1 6 . 1 1 29 29 ALA H H 29 8.267 8.267 7.811 0.456 19148 1287 1 6 . 1 1 30 30 VAL N N 30 118.800 118.800 116.898 1.902 19148 1288 1 6 . 1 1 30 30 VAL HA H 30 4.350 4.350 4.570 -0.220 19148 1289 1 6 . 1 1 30 30 VAL C C 30 173.844 173.844 174.714 -0.870 19148 1290 1 6 . 1 1 30 30 VAL CA C 30 60.842 60.842 60.244 0.598 19148 1291 1 6 . 1 1 30 30 VAL CB C 30 33.926 33.926 33.366 0.560 19148 1292 1 6 . 1 1 30 30 VAL H H 30 8.363 8.363 8.635 -0.272 19148 1293 1 6 . 1 1 31 31 GLU N N 31 122.726 122.726 123.175 -0.449 19148 1294 1 6 . 1 1 31 31 GLU HA H 31 5.020 5.020 5.084 -0.064 19148 1295 1 6 . 1 1 31 31 GLU C C 31 173.712 173.712 175.200 -1.488 19148 1296 1 6 . 1 1 31 31 GLU CA C 31 54.916 54.916 54.648 0.268 19148 1297 1 6 . 1 1 31 31 GLU CB C 31 33.679 33.679 32.327 1.352 19148 1298 1 6 . 1 1 31 31 GLU H H 31 8.278 8.278 8.551 -0.273 19148 1299 1 6 . 1 1 32 32 TYR N N 32 120.248 120.248 123.845 -3.597 19148 1300 1 6 . 1 1 32 32 TYR HA H 32 4.731 4.731 4.851 -0.120 19148 1301 1 6 . 1 1 32 32 TYR C C 32 174.389 174.389 173.865 0.524 19148 1302 1 6 . 1 1 32 32 TYR CA C 32 57.056 57.056 56.216 0.840 19148 1303 1 6 . 1 1 32 32 TYR CB C 32 43.063 43.063 41.501 1.562 19148 1304 1 6 . 1 1 32 32 TYR H H 32 8.243 8.243 8.997 -0.754 19148 1305 1 6 . 1 1 33 33 ALA N N 33 119.054 119.054 124.476 -5.422 19148 1306 1 6 . 1 1 33 33 ALA HA H 33 5.734 5.734 5.358 0.376 19148 1307 1 6 . 1 1 33 33 ALA C C 33 177.886 177.886 176.474 1.412 19148 1308 1 6 . 1 1 33 33 ALA CA C 33 50.635 50.635 49.656 0.980 19148 1309 1 6 . 1 1 33 33 ALA CB C 33 22.649 22.649 21.229 1.420 19148 1310 1 6 . 1 1 33 33 ALA H H 33 8.613 8.613 9.097 -0.484 19148 1311 1 6 . 1 1 34 34 CYS N N 34 124.578 124.578 122.989 1.589 19148 1312 1 6 . 1 1 34 34 CYS HA H 34 5.558 5.558 5.159 0.399 19148 1313 1 6 . 1 1 34 34 CYS C C 34 177.472 177.472 177.216 0.256 19148 1314 1 6 . 1 1 34 34 CYS CA C 34 56.727 56.727 56.256 0.471 19148 1315 1 6 . 1 1 34 34 CYS CB C 34 32.362 32.362 29.763 2.599 19148 1316 1 6 . 1 1 34 34 CYS H H 34 9.090 9.090 9.098 -0.008 19148 1317 1 6 . 1 1 35 35 GLU N N 35 121.981 121.981 118.929 3.052 19148 1318 1 6 . 1 1 35 35 GLU HA H 35 4.202 4.202 4.166 0.036 19148 1319 1 6 . 1 1 35 35 GLU C C 35 177.190 177.190 176.780 0.410 19148 1320 1 6 . 1 1 35 35 GLU CA C 35 59.031 59.031 58.576 0.455 19148 1321 1 6 . 1 1 35 35 GLU CB C 35 29.893 29.893 29.305 0.588 19148 1322 1 6 . 1 1 35 35 GLU H H 35 8.865 8.865 8.742 0.123 19148 1323 1 6 . 1 1 36 36 LYS N N 36 121.258 121.258 117.722 3.536 19148 1324 1 6 . 1 1 36 36 LYS HA H 36 4.273 4.273 4.453 -0.180 19148 1325 1 6 . 1 1 36 36 LYS C C 36 176.551 176.551 176.738 -0.187 19148 1326 1 6 . 1 1 36 36 LYS CA C 36 55.986 55.986 55.621 0.365 19148 1327 1 6 . 1 1 36 36 LYS CB C 36 32.115 32.115 31.702 0.413 19148 1328 1 6 . 1 1 36 36 LYS H H 36 9.341 9.341 7.806 1.535 19148 1329 1 6 . 1 1 37 37 GLY N N 37 107.582 107.582 108.375 -0.793 19148 1330 1 6 . 1 1 37 37 GLY C C 37 174.746 174.746 174.259 0.487 19148 1331 1 6 . 1 1 37 37 GLY CA C 37 45.367 45.367 45.140 0.227 19148 1332 1 6 . 1 1 37 37 GLY H H 37 7.902 7.902 7.794 0.108 19148 1333 1 6 . 1 1 38 38 HIS N N 38 122.025 122.025 119.996 2.029 19148 1334 1 6 . 1 1 38 38 HIS HA H 38 4.905 4.905 4.938 -0.033 19148 1335 1 6 . 1 1 38 38 HIS C C 38 174.351 174.351 173.999 0.352 19148 1336 1 6 . 1 1 38 38 HIS CA C 38 56.644 56.644 55.340 1.304 19148 1337 1 6 . 1 1 38 38 HIS CB C 38 30.880 30.880 32.339 -1.459 19148 1338 1 6 . 1 1 38 38 HIS H H 38 7.812 7.812 8.037 -0.225 19148 1339 1 6 . 1 1 39 39 ARG N N 39 122.401 122.401 120.455 1.946 19148 1340 1 6 . 1 1 39 39 ARG HA H 39 5.717 5.717 5.446 0.271 19148 1341 1 6 . 1 1 39 39 ARG C C 39 175.573 175.573 175.417 0.156 19148 1342 1 6 . 1 1 39 39 ARG CA C 39 54.863 54.863 54.965 -0.102 19148 1343 1 6 . 1 1 39 39 ARG CB C 39 33.597 33.597 33.767 -0.170 19148 1344 1 6 . 1 1 39 39 ARG H H 39 8.473 8.473 8.741 -0.268 19148 1345 1 6 . 1 1 40 40 PHE N N 40 119.867 119.867 119.220 0.647 19148 1346 1 6 . 1 1 40 40 PHE HA H 40 5.104 5.104 5.088 0.016 19148 1347 1 6 . 1 1 40 40 PHE C C 40 171.945 171.945 173.518 -1.573 19148 1348 1 6 . 1 1 40 40 PHE CA C 40 55.903 55.903 56.111 -0.208 19148 1349 1 6 . 1 1 40 40 PHE CB C 40 40.346 40.346 42.092 -1.746 19148 1350 1 6 . 1 1 40 40 PHE H H 40 8.531 8.531 8.999 -0.468 19148 1351 1 6 . 1 1 41 41 GLU N N 41 118.749 118.749 122.722 -3.973 19148 1352 1 6 . 1 1 41 41 GLU HA H 41 5.361 5.361 5.447 -0.086 19148 1353 1 6 . 1 1 41 41 GLU C C 41 176.532 176.532 175.900 0.632 19148 1354 1 6 . 1 1 41 41 GLU CA C 41 54.175 54.175 55.064 -0.889 19148 1355 1 6 . 1 1 41 41 GLU CB C 41 33.103 33.103 32.105 0.998 19148 1356 1 6 . 1 1 41 41 GLU H H 41 8.478 8.478 8.748 -0.270 19148 1357 1 6 . 1 1 42 42 MET N N 42 121.000 121.000 121.298 -0.298 19148 1358 1 6 . 1 1 42 42 MET HA H 42 5.148 5.148 5.023 0.125 19148 1359 1 6 . 1 1 42 42 MET C C 42 173.862 173.862 173.551 0.311 19148 1360 1 6 . 1 1 42 42 MET CA C 42 51.047 51.047 52.608 -1.561 19148 1361 1 6 . 1 1 42 42 MET CB C 42 34.914 34.914 36.646 -1.732 19148 1362 1 6 . 1 1 42 42 MET H H 42 8.926 8.926 8.977 -0.051 19148 1363 1 6 . 1 1 43 43 PRO HA H 43 4.978 4.978 4.794 0.184 19148 1364 1 6 . 1 1 43 43 PRO C C 43 176.006 176.006 175.476 0.530 19148 1365 1 6 . 1 1 43 43 PRO CA C 43 61.739 61.739 62.776 -1.037 19148 1366 1 6 . 1 1 43 43 PRO CB C 43 31.292 31.292 31.966 -0.674 19148 1367 1 6 . 1 1 44 44 PHE N N 44 119.990 119.990 124.029 -4.039 19148 1368 1 6 . 1 1 44 44 PHE HA H 44 4.786 4.786 4.702 0.084 19148 1369 1 6 . 1 1 44 44 PHE C C 44 175.216 175.216 175.126 0.090 19148 1370 1 6 . 1 1 44 44 PHE CA C 44 56.480 56.480 56.355 0.125 19148 1371 1 6 . 1 1 44 44 PHE CB C 44 42.404 42.404 42.875 -0.471 19148 1372 1 6 . 1 1 44 44 PHE H H 44 8.135 8.135 8.823 -0.688 19148 1373 1 6 . 1 1 45 45 SER N N 45 116.512 116.512 116.531 -0.019 19148 1374 1 6 . 1 1 45 45 SER HA H 45 4.596 4.596 4.562 0.034 19148 1375 1 6 . 1 1 45 45 SER C C 45 175.742 175.742 175.072 0.670 19148 1376 1 6 . 1 1 45 45 SER CA C 45 58.044 58.044 57.611 0.433 19148 1377 1 6 . 1 1 45 45 SER CB C 45 63.970 63.970 63.608 0.362 19148 1378 1 6 . 1 1 45 45 SER H H 45 8.483 8.483 8.666 -0.183 19148 1379 1 6 . 1 1 46 46 VAL N N 46 120.000 120.000 126.542 -6.542 19148 1380 1 6 . 1 1 46 46 VAL HA H 46 4.054 4.054 3.903 0.151 19148 1381 1 6 . 1 1 46 46 VAL C C 46 176.400 176.400 176.416 -0.016 19148 1382 1 6 . 1 1 46 46 VAL CA C 46 63.888 63.888 64.022 -0.134 19148 1383 1 6 . 1 1 46 46 VAL CB C 46 31.950 31.950 32.422 -0.472 19148 1384 1 6 . 1 1 46 46 VAL H H 46 8.220 8.220 8.961 -0.741 19148 1385 1 6 . 1 1 47 47 GLU N N 47 120.013 120.013 118.005 2.008 19148 1386 1 6 . 1 1 47 47 GLU HA H 47 4.247 4.247 4.385 -0.138 19148 1387 1 6 . 1 1 47 47 GLU C C 47 176.006 176.006 175.476 0.530 19148 1388 1 6 . 1 1 47 47 GLU CA C 47 56.974 56.974 55.457 1.517 19148 1389 1 6 . 1 1 47 47 GLU CB C 47 29.481 29.481 29.327 0.154 19148 1390 1 6 . 1 1 47 47 GLU H H 47 8.401 8.401 8.494 -0.093 19148 1391 1 6 . 1 1 48 48 ALA N N 48 122.458 122.458 123.010 -0.552 19148 1392 1 6 . 1 1 48 48 ALA HA H 48 4.353 4.353 4.590 -0.237 19148 1393 1 6 . 1 1 48 48 ALA C C 48 176.870 176.870 176.608 0.262 19148 1394 1 6 . 1 1 48 48 ALA CA C 48 52.199 52.199 51.021 1.178 19148 1395 1 6 . 1 1 48 48 ALA CB C 48 20.591 20.591 20.839 -0.248 19148 1396 1 6 . 1 1 48 48 ALA H H 48 7.542 7.542 7.387 0.155 19148 1397 1 6 . 1 1 49 49 GLU N N 49 119.217 119.217 120.934 -1.717 19148 1398 1 6 . 1 1 49 49 GLU HA H 49 4.268 4.268 4.355 -0.087 19148 1399 1 6 . 1 1 49 49 GLU C C 49 175.761 175.761 175.202 0.559 19148 1400 1 6 . 1 1 49 49 GLU CA C 49 55.903 55.903 55.598 0.305 19148 1401 1 6 . 1 1 49 49 GLU CB C 49 30.140 30.140 28.157 1.983 19148 1402 1 6 . 1 1 49 49 GLU H H 49 8.061 8.061 8.611 -0.550 19148 1403 1 6 . 1 1 50 50 ILE N N 50 126.270 126.270 126.433 -0.163 19148 1404 1 6 . 1 1 50 50 ILE HA H 50 3.908 3.908 3.805 0.103 19148 1405 1 6 . 1 1 50 50 ILE C C 50 174.483 174.483 174.360 0.123 19148 1406 1 6 . 1 1 50 50 ILE CA C 50 58.126 58.126 57.260 0.867 19148 1407 1 6 . 1 1 50 50 ILE CB C 50 38.371 38.371 36.321 2.050 19148 1408 1 6 . 1 1 50 50 ILE H H 50 8.152 8.152 7.692 0.460 19148 1409 1 6 . 1 1 52 52 PRO HA H 52 4.554 4.554 4.315 0.239 19148 1410 1 6 . 1 1 52 52 PRO C C 52 175.742 175.742 175.729 0.013 19148 1411 1 6 . 1 1 52 52 PRO CA C 52 64.490 64.490 64.307 0.183 19148 1412 1 6 . 1 1 52 52 PRO CB C 52 32.330 32.330 31.965 0.365 19148 1413 1 6 . 1 1 53 53 GLU N N 53 114.593 114.593 112.592 2.001 19148 1414 1 6 . 1 1 53 53 GLU HA H 53 5.682 5.682 4.912 0.770 19148 1415 1 6 . 1 1 53 53 GLU C C 53 173.844 173.844 174.611 -0.767 19148 1416 1 6 . 1 1 53 53 GLU CA C 53 53.906 53.906 55.083 -1.177 19148 1417 1 6 . 1 1 53 53 GLU CB C 53 34.008 34.008 32.561 1.447 19148 1418 1 6 . 1 1 53 53 GLU H H 53 7.387 7.387 7.682 -0.295 19148 1419 1 6 . 1 1 54 54 TRP N N 54 122.688 122.688 123.103 -0.415 19148 1420 1 6 . 1 1 54 54 TRP HA H 54 4.301 4.301 4.892 -0.591 19148 1421 1 6 . 1 1 54 54 TRP C C 54 174.013 174.013 174.342 -0.329 19148 1422 1 6 . 1 1 54 54 TRP CA C 54 56.397 56.397 56.231 0.166 19148 1423 1 6 . 1 1 54 54 TRP CB C 54 32.444 32.444 33.239 -0.795 19148 1424 1 6 . 1 1 54 54 TRP H H 54 9.030 9.030 9.333 -0.303 19148 1425 1 6 . 1 1 55 55 GLU N N 55 125.661 125.661 122.889 2.772 19148 1426 1 6 . 1 1 55 55 GLU HA H 55 4.063 4.063 4.187 -0.124 19148 1427 1 6 . 1 1 55 55 GLU C C 55 175.893 175.893 175.410 0.483 19148 1428 1 6 . 1 1 55 55 GLU CA C 55 57.056 57.056 57.374 -0.318 19148 1429 1 6 . 1 1 55 55 GLU CB C 55 30.386 30.386 30.594 -0.208 19148 1430 1 6 . 1 1 55 55 GLU H H 55 7.143 7.143 8.000 -0.857 19148 1431 1 6 . 1 1 56 56 CYS N N 56 126.844 126.844 126.462 0.382 19148 1432 1 6 . 1 1 56 56 CYS HA H 56 4.300 4.300 4.596 -0.296 19148 1433 1 6 . 1 1 56 56 CYS C C 56 177.998 177.998 175.533 2.465 19148 1434 1 6 . 1 1 56 56 CYS CA C 56 60.925 60.925 58.202 2.723 19148 1435 1 6 . 1 1 56 56 CYS CB C 56 30.304 30.304 26.723 3.581 19148 1436 1 6 . 1 1 56 56 CYS H H 56 9.476 9.476 9.010 0.466 19148 1437 1 6 . 1 1 57 57 LYS N N 57 130.306 130.306 128.128 2.178 19148 1438 1 6 . 1 1 57 57 LYS HA H 57 3.874 3.874 4.182 -0.308 19148 1439 1 6 . 1 1 57 57 LYS C C 57 175.686 175.686 176.426 -0.740 19148 1440 1 6 . 1 1 57 57 LYS CA C 57 57.961 57.961 57.452 0.509 19148 1441 1 6 . 1 1 57 57 LYS CB C 57 33.020 33.020 31.850 1.170 19148 1442 1 6 . 1 1 57 57 LYS H H 57 5.816 5.816 8.416 -2.600 19148 1443 1 6 . 1 1 58 58 VAL N N 58 121.332 121.332 118.820 2.512 19148 1444 1 6 . 1 1 58 58 VAL HA H 58 3.707 3.707 3.752 -0.045 19148 1445 1 6 . 1 1 58 58 VAL C C 58 177.397 177.397 176.870 0.527 19148 1446 1 6 . 1 1 58 58 VAL CA C 58 64.958 64.958 64.624 0.334 19148 1447 1 6 . 1 1 58 58 VAL CB C 58 32.436 32.436 32.201 0.235 19148 1448 1 6 . 1 1 58 58 VAL H H 58 8.883 8.883 7.346 1.537 19148 1449 1 6 . 1 1 59 59 CYS N N 59 117.752 117.752 116.767 0.985 19148 1450 1 6 . 1 1 59 59 CYS HA H 59 5.061 5.061 4.656 0.405 19148 1451 1 6 . 1 1 59 59 CYS C C 59 176.795 176.795 174.955 1.840 19148 1452 1 6 . 1 1 59 59 CYS CA C 59 58.867 58.867 59.026 -0.159 19148 1453 1 6 . 1 1 59 59 CYS CB C 59 34.255 34.255 29.978 4.277 19148 1454 1 6 . 1 1 59 59 CYS H H 59 8.310 8.310 8.159 0.151 19148 1455 1 6 . 1 1 60 60 GLY N N 60 113.490 113.490 110.482 3.008 19148 1456 1 6 . 1 1 60 60 GLY C C 60 173.110 173.110 172.826 0.284 19148 1457 1 6 . 1 1 60 60 GLY CA C 60 46.355 46.355 44.995 1.360 19148 1458 1 6 . 1 1 60 60 GLY H H 60 8.078 8.078 7.839 0.239 19148 1459 1 6 . 1 1 61 61 ALA N N 61 124.940 124.940 121.026 3.914 19148 1460 1 6 . 1 1 61 61 ALA HA H 61 4.518 4.518 4.684 -0.166 19148 1461 1 6 . 1 1 61 61 ALA C C 61 175.724 175.724 174.884 0.840 19148 1462 1 6 . 1 1 61 61 ALA CA C 61 52.117 52.117 51.696 0.421 19148 1463 1 6 . 1 1 61 61 ALA CB C 61 21.167 21.167 21.089 0.078 19148 1464 1 6 . 1 1 61 61 ALA H H 61 8.516 8.516 7.438 1.078 19148 1465 1 6 . 1 1 62 62 GLN N N 62 118.486 118.486 118.690 -0.204 19148 1466 1 6 . 1 1 62 62 GLN HA H 62 4.183 4.183 4.567 -0.384 19148 1467 1 6 . 1 1 62 62 GLN C C 62 174.915 174.915 174.230 0.685 19148 1468 1 6 . 1 1 62 62 GLN CA C 62 57.632 57.632 54.841 2.791 19148 1469 1 6 . 1 1 62 62 GLN CB C 62 29.728 29.728 31.355 -1.627 19148 1470 1 6 . 1 1 62 62 GLN H H 62 8.492 8.492 8.684 -0.192 19148 1471 1 6 . 1 1 63 63 ALA N N 63 129.224 129.224 126.124 3.100 19148 1472 1 6 . 1 1 63 63 ALA HA H 63 4.926 4.926 5.039 -0.113 19148 1473 1 6 . 1 1 63 63 ALA C C 63 175.197 175.197 175.160 0.037 19148 1474 1 6 . 1 1 63 63 ALA CA C 63 50.306 50.306 50.332 -0.026 19148 1475 1 6 . 1 1 63 63 ALA CB C 63 21.744 21.744 22.692 -0.948 19148 1476 1 6 . 1 1 63 63 ALA H H 63 8.863 8.863 9.284 -0.421 19148 1477 1 6 . 1 1 64 64 LEU N N 64 121.213 121.213 122.610 -1.397 19148 1478 1 6 . 1 1 64 64 LEU HA H 64 5.210 5.210 4.840 0.370 19148 1479 1 6 . 1 1 64 64 LEU C C 64 177.322 177.322 176.190 1.132 19148 1480 1 6 . 1 1 64 64 LEU CA C 64 53.928 53.928 53.471 0.457 19148 1481 1 6 . 1 1 64 64 LEU CB C 64 44.874 44.874 44.122 0.752 19148 1482 1 6 . 1 1 64 64 LEU H H 64 8.137 8.137 8.957 -0.820 19148 1483 1 6 . 1 1 65 65 LEU N N 65 123.951 123.951 125.877 -1.926 19148 1484 1 6 . 1 1 65 65 LEU HA H 65 3.655 3.655 4.155 -0.500 19148 1485 1 6 . 1 1 65 65 LEU C C 65 177.058 177.058 176.201 0.857 19148 1486 1 6 . 1 1 65 65 LEU CA C 65 55.739 55.739 54.109 1.630 19148 1487 1 6 . 1 1 65 65 LEU CB C 65 43.145 43.145 41.752 1.393 19148 1488 1 6 . 1 1 65 65 LEU H H 65 7.619 7.619 8.432 -0.813 19148 1489 1 6 . 1 1 66 66 VAL N N 66 127.050 127.050 123.991 3.059 19148 1490 1 6 . 1 1 66 66 VAL HA H 66 3.928 3.928 4.236 -0.308 19148 1491 1 6 . 1 1 66 66 VAL C C 66 175.536 175.536 175.389 0.147 19148 1492 1 6 . 1 1 66 66 VAL CA C 66 62.735 62.735 60.887 1.848 19148 1493 1 6 . 1 1 66 66 VAL CB C 66 32.280 32.280 31.695 0.585 19148 1494 1 6 . 1 1 66 66 VAL H H 66 8.392 8.392 8.258 0.134 19148 1495 1 6 . 1 1 67 67 ASP N N 67 125.550 125.550 123.884 1.666 19148 1496 1 6 . 1 1 67 67 ASP HA H 67 4.626 4.626 4.276 0.350 19148 1497 1 6 . 1 1 67 67 ASP C C 67 176.269 176.269 175.502 0.767 19148 1498 1 6 . 1 1 67 67 ASP CA C 67 53.928 53.928 55.310 -1.382 19148 1499 1 6 . 1 1 67 67 ASP CB C 67 41.663 41.663 40.097 1.566 19148 1500 1 6 . 1 1 67 67 ASP H H 67 8.278 8.278 8.681 -0.403 19148 1501 1 6 . 1 1 68 68 GLY N N 68 109.554 109.554 107.783 1.771 19148 1502 1 6 . 1 1 68 68 GLY C C 68 173.806 173.806 173.012 0.794 19148 1503 1 6 . 1 1 68 68 GLY CA C 68 45.532 45.532 44.801 0.731 19148 1504 1 6 . 1 1 68 68 GLY H H 68 8.303 8.303 8.321 -0.018 19148 1505 1 6 . 1 1 69 69 ASP N N 69 120.592 120.592 120.027 0.565 19148 1506 1 6 . 1 1 69 69 ASP HA H 69 4.702 4.702 4.242 0.460 19148 1507 1 6 . 1 1 69 69 ASP C C 69 176.476 176.476 175.595 0.881 19148 1508 1 6 . 1 1 69 69 ASP CA C 69 54.175 54.175 55.075 -0.900 19148 1509 1 6 . 1 1 69 69 ASP CB C 69 41.499 41.499 40.336 1.163 19148 1510 1 6 . 1 1 69 69 ASP H H 69 8.276 8.276 8.274 0.002 19148 1511 1 6 . 1 1 70 70 GLY N N 70 108.866 108.866 105.772 3.094 19148 1512 1 6 . 1 1 70 70 GLY C C 70 172.001 172.001 171.853 0.148 19148 1513 1 6 . 1 1 70 70 GLY CA C 70 44.791 44.791 45.372 -0.581 19148 1514 1 6 . 1 1 70 70 GLY H H 70 8.175 8.175 7.966 0.209 19148 1515 1 6 . 1 1 71 71 PRO HA H 71 4.423 4.423 4.747 -0.324 19148 1516 1 6 . 1 1 71 71 PRO C C 71 177.171 177.171 176.894 0.277 19148 1517 1 6 . 1 1 71 71 PRO CA C 71 63.312 63.312 62.409 0.903 19148 1518 1 6 . 1 1 71 71 PRO CB C 71 32.197 32.197 32.830 -0.633 19148 1519 1 6 . 1 1 72 72 GLU N N 72 120.852 120.852 122.552 -1.700 19148 1520 1 6 . 1 1 72 72 GLU HA H 72 4.256 4.256 4.045 0.211 19148 1521 1 6 . 1 1 72 72 GLU C C 72 176.494 176.494 178.155 -1.661 19148 1522 1 6 . 1 1 72 72 GLU CA C 72 56.727 56.727 59.638 -2.911 19148 1523 1 6 . 1 1 72 72 GLU CB C 72 30.386 30.386 29.906 0.480 19148 1524 1 6 . 1 1 72 72 GLU H H 72 8.466 8.466 8.692 -0.226 19148 1525 1 6 . 1 1 73 73 GLU N N 73 122.189 122.189 117.715 4.474 19148 1526 1 6 . 1 1 73 73 GLU HA H 73 1.984 1.984 4.308 -2.324 19148 1527 1 6 . 1 1 73 73 GLU C C 73 176.043 176.043 177.077 -1.034 19148 1528 1 6 . 1 1 73 73 GLU CA C 73 56.644 56.644 56.616 0.028 19148 1529 1 6 . 1 1 73 73 GLU CB C 73 30.386 30.386 29.667 0.719 19148 1530 1 6 . 1 1 73 73 GLU H H 73 8.292 8.292 8.238 0.054 19148 1531 1 6 . 1 1 74 74 LYS N N 74 123.989 123.989 120.540 3.449 19148 1532 1 6 . 1 1 74 74 LYS HA H 74 4.369 4.369 4.139 0.230 19148 1533 1 6 . 1 1 74 74 LYS C C 74 175.423 175.423 176.905 -1.482 19148 1534 1 6 . 1 1 74 74 LYS CA C 74 56.397 56.397 56.915 -0.518 19148 1535 1 6 . 1 1 74 74 LYS CB C 74 32.938 32.938 32.716 0.222 19148 1536 1 6 . 1 1 74 74 LYS H H 74 8.309 8.309 8.017 0.292 19148 1537 1 7 . 1 1 29 29 ALA N N 29 125.100 125.100 122.851 2.249 19148 1538 1 7 . 1 1 29 29 ALA HA H 29 4.817 4.817 5.198 -0.381 19148 1539 1 7 . 1 1 29 29 ALA C C 29 176.438 176.438 174.711 1.727 19148 1540 1 7 . 1 1 29 29 ALA CA C 29 51.870 51.870 50.857 1.013 19148 1541 1 7 . 1 1 29 29 ALA CB C 29 20.920 20.920 22.750 -1.829 19148 1542 1 7 . 1 1 29 29 ALA H H 29 8.267 8.267 7.796 0.471 19148 1543 1 7 . 1 1 30 30 VAL N N 30 118.800 118.800 116.269 2.531 19148 1544 1 7 . 1 1 30 30 VAL HA H 30 4.350 4.350 4.334 0.016 19148 1545 1 7 . 1 1 30 30 VAL C C 30 173.844 173.844 174.435 -0.591 19148 1546 1 7 . 1 1 30 30 VAL CA C 30 60.842 60.842 60.254 0.588 19148 1547 1 7 . 1 1 30 30 VAL CB C 30 33.926 33.926 34.154 -0.229 19148 1548 1 7 . 1 1 30 30 VAL H H 30 8.363 8.363 8.136 0.227 19148 1549 1 7 . 1 1 31 31 GLU N N 31 122.726 122.726 120.695 2.031 19148 1550 1 7 . 1 1 31 31 GLU HA H 31 5.020 5.020 4.823 0.197 19148 1551 1 7 . 1 1 31 31 GLU C C 31 173.712 173.712 174.991 -1.279 19148 1552 1 7 . 1 1 31 31 GLU CA C 31 54.916 54.916 55.019 -0.103 19148 1553 1 7 . 1 1 31 31 GLU CB C 31 33.679 33.679 32.981 0.698 19148 1554 1 7 . 1 1 31 31 GLU H H 31 8.278 8.278 8.188 0.090 19148 1555 1 7 . 1 1 32 32 TYR N N 32 120.248 120.248 123.057 -2.809 19148 1556 1 7 . 1 1 32 32 TYR HA H 32 4.731 4.731 4.954 -0.223 19148 1557 1 7 . 1 1 32 32 TYR C C 32 174.389 174.389 173.824 0.565 19148 1558 1 7 . 1 1 32 32 TYR CA C 32 57.056 57.056 56.003 1.053 19148 1559 1 7 . 1 1 32 32 TYR CB C 32 43.063 43.063 42.264 0.799 19148 1560 1 7 . 1 1 32 32 TYR H H 32 8.243 8.243 9.108 -0.865 19148 1561 1 7 . 1 1 33 33 ALA N N 33 119.054 119.054 123.391 -4.337 19148 1562 1 7 . 1 1 33 33 ALA HA H 33 5.734 5.734 5.552 0.182 19148 1563 1 7 . 1 1 33 33 ALA C C 33 177.886 177.886 176.151 1.735 19148 1564 1 7 . 1 1 33 33 ALA CA C 33 50.635 50.635 49.653 0.982 19148 1565 1 7 . 1 1 33 33 ALA CB C 33 22.649 22.649 21.869 0.780 19148 1566 1 7 . 1 1 33 33 ALA H H 33 8.613 8.613 9.144 -0.531 19148 1567 1 7 . 1 1 34 34 CYS N N 34 124.578 124.578 122.201 2.377 19148 1568 1 7 . 1 1 34 34 CYS HA H 34 5.558 5.558 5.373 0.185 19148 1569 1 7 . 1 1 34 34 CYS C C 34 177.472 177.472 177.331 0.141 19148 1570 1 7 . 1 1 34 34 CYS CA C 34 56.727 56.727 55.991 0.736 19148 1571 1 7 . 1 1 34 34 CYS CB C 34 32.362 32.362 30.288 2.074 19148 1572 1 7 . 1 1 34 34 CYS H H 34 9.090 9.090 9.379 -0.289 19148 1573 1 7 . 1 1 35 35 GLU N N 35 121.981 121.981 119.403 2.578 19148 1574 1 7 . 1 1 35 35 GLU HA H 35 4.202 4.202 4.108 0.094 19148 1575 1 7 . 1 1 35 35 GLU C C 35 177.190 177.190 177.236 -0.046 19148 1576 1 7 . 1 1 35 35 GLU CA C 35 59.031 59.031 58.920 0.111 19148 1577 1 7 . 1 1 35 35 GLU CB C 35 29.893 29.893 29.307 0.586 19148 1578 1 7 . 1 1 35 35 GLU H H 35 8.865 8.865 8.804 0.061 19148 1579 1 7 . 1 1 36 36 LYS N N 36 121.258 121.258 117.752 3.506 19148 1580 1 7 . 1 1 36 36 LYS HA H 36 4.273 4.273 4.364 -0.091 19148 1581 1 7 . 1 1 36 36 LYS C C 36 176.551 176.551 176.960 -0.409 19148 1582 1 7 . 1 1 36 36 LYS CA C 36 55.986 55.986 56.102 -0.116 19148 1583 1 7 . 1 1 36 36 LYS CB C 36 32.115 32.115 32.036 0.079 19148 1584 1 7 . 1 1 36 36 LYS H H 36 9.341 9.341 7.852 1.489 19148 1585 1 7 . 1 1 37 37 GLY N N 37 107.582 107.582 108.138 -0.556 19148 1586 1 7 . 1 1 37 37 GLY C C 37 174.746 174.746 174.007 0.739 19148 1587 1 7 . 1 1 37 37 GLY CA C 37 45.367 45.367 45.197 0.171 19148 1588 1 7 . 1 1 37 37 GLY H H 37 7.902 7.902 7.864 0.038 19148 1589 1 7 . 1 1 38 38 HIS N N 38 122.025 122.025 120.468 1.557 19148 1590 1 7 . 1 1 38 38 HIS HA H 38 4.905 4.905 4.883 0.022 19148 1591 1 7 . 1 1 38 38 HIS C C 38 174.351 174.351 173.681 0.670 19148 1592 1 7 . 1 1 38 38 HIS CA C 38 56.644 56.644 55.218 1.426 19148 1593 1 7 . 1 1 38 38 HIS CB C 38 30.880 30.880 32.148 -1.268 19148 1594 1 7 . 1 1 38 38 HIS H H 38 7.812 7.812 7.957 -0.145 19148 1595 1 7 . 1 1 39 39 ARG N N 39 122.401 122.401 124.325 -1.924 19148 1596 1 7 . 1 1 39 39 ARG HA H 39 5.717 5.717 5.524 0.193 19148 1597 1 7 . 1 1 39 39 ARG C C 39 175.573 175.573 175.213 0.360 19148 1598 1 7 . 1 1 39 39 ARG CA C 39 54.863 54.863 54.788 0.075 19148 1599 1 7 . 1 1 39 39 ARG CB C 39 33.597 33.597 32.803 0.793 19148 1600 1 7 . 1 1 39 39 ARG H H 39 8.473 8.473 8.163 0.310 19148 1601 1 7 . 1 1 40 40 PHE N N 40 119.867 119.867 119.581 0.286 19148 1602 1 7 . 1 1 40 40 PHE HA H 40 5.104 5.104 5.080 0.024 19148 1603 1 7 . 1 1 40 40 PHE C C 40 171.945 171.945 173.430 -1.485 19148 1604 1 7 . 1 1 40 40 PHE CA C 40 55.903 55.903 56.087 -0.184 19148 1605 1 7 . 1 1 40 40 PHE CB C 40 40.346 40.346 42.193 -1.847 19148 1606 1 7 . 1 1 40 40 PHE H H 40 8.531 8.531 9.104 -0.573 19148 1607 1 7 . 1 1 41 41 GLU N N 41 118.749 118.749 122.064 -3.315 19148 1608 1 7 . 1 1 41 41 GLU HA H 41 5.361 5.361 5.122 0.239 19148 1609 1 7 . 1 1 41 41 GLU C C 41 176.532 176.532 175.753 0.779 19148 1610 1 7 . 1 1 41 41 GLU CA C 41 54.175 54.175 55.083 -0.908 19148 1611 1 7 . 1 1 41 41 GLU CB C 41 33.103 33.103 32.136 0.967 19148 1612 1 7 . 1 1 41 41 GLU H H 41 8.478 8.478 8.784 -0.306 19148 1613 1 7 . 1 1 42 42 MET N N 42 121.000 121.000 120.551 0.449 19148 1614 1 7 . 1 1 42 42 MET HA H 42 5.148 5.148 4.966 0.182 19148 1615 1 7 . 1 1 42 42 MET C C 42 173.862 173.862 173.595 0.267 19148 1616 1 7 . 1 1 42 42 MET CA C 42 51.047 51.047 52.370 -1.323 19148 1617 1 7 . 1 1 42 42 MET CB C 42 34.914 34.914 35.797 -0.883 19148 1618 1 7 . 1 1 42 42 MET H H 42 8.926 8.926 8.334 0.592 19148 1619 1 7 . 1 1 43 43 PRO HA H 43 4.978 4.978 4.558 0.420 19148 1620 1 7 . 1 1 43 43 PRO C C 43 176.006 176.006 175.289 0.717 19148 1621 1 7 . 1 1 43 43 PRO CA C 43 61.739 61.739 63.187 -1.448 19148 1622 1 7 . 1 1 43 43 PRO CB C 43 31.292 31.292 31.422 -0.129 19148 1623 1 7 . 1 1 44 44 PHE N N 44 119.990 119.990 123.882 -3.892 19148 1624 1 7 . 1 1 44 44 PHE HA H 44 4.786 4.786 4.712 0.074 19148 1625 1 7 . 1 1 44 44 PHE C C 44 175.216 175.216 174.686 0.530 19148 1626 1 7 . 1 1 44 44 PHE CA C 44 56.480 56.480 56.579 -0.099 19148 1627 1 7 . 1 1 44 44 PHE CB C 44 42.404 42.404 42.609 -0.205 19148 1628 1 7 . 1 1 44 44 PHE H H 44 8.135 8.135 8.061 0.074 19148 1629 1 7 . 1 1 45 45 SER N N 45 116.512 116.512 115.675 0.837 19148 1630 1 7 . 1 1 45 45 SER HA H 45 4.596 4.596 4.696 -0.100 19148 1631 1 7 . 1 1 45 45 SER C C 45 175.742 175.742 175.098 0.644 19148 1632 1 7 . 1 1 45 45 SER CA C 45 58.044 58.044 56.609 1.435 19148 1633 1 7 . 1 1 45 45 SER CB C 45 63.970 63.970 64.852 -0.881 19148 1634 1 7 . 1 1 45 45 SER H H 45 8.483 8.483 8.533 -0.050 19148 1635 1 7 . 1 1 46 46 VAL N N 46 120.000 120.000 126.268 -6.268 19148 1636 1 7 . 1 1 46 46 VAL HA H 46 4.054 4.054 4.074 -0.020 19148 1637 1 7 . 1 1 46 46 VAL C C 46 176.400 176.400 175.557 0.843 19148 1638 1 7 . 1 1 46 46 VAL CA C 46 63.888 63.888 63.316 0.573 19148 1639 1 7 . 1 1 46 46 VAL CB C 46 31.950 31.950 32.207 -0.257 19148 1640 1 7 . 1 1 46 46 VAL H H 46 8.220 8.220 9.032 -0.812 19148 1641 1 7 . 1 1 47 47 GLU N N 47 120.013 120.013 119.338 0.675 19148 1642 1 7 . 1 1 47 47 GLU HA H 47 4.247 4.247 4.438 -0.191 19148 1643 1 7 . 1 1 47 47 GLU C C 47 176.006 176.006 175.007 0.999 19148 1644 1 7 . 1 1 47 47 GLU CA C 47 56.974 56.974 55.189 1.785 19148 1645 1 7 . 1 1 47 47 GLU CB C 47 29.481 29.481 29.284 0.197 19148 1646 1 7 . 1 1 47 47 GLU H H 47 8.401 8.401 7.665 0.736 19148 1647 1 7 . 1 1 48 48 ALA N N 48 122.458 122.458 122.238 0.220 19148 1648 1 7 . 1 1 48 48 ALA HA H 48 4.353 4.353 4.641 -0.288 19148 1649 1 7 . 1 1 48 48 ALA C C 48 176.870 176.870 176.486 0.384 19148 1650 1 7 . 1 1 48 48 ALA CA C 48 52.199 52.199 50.989 1.210 19148 1651 1 7 . 1 1 48 48 ALA CB C 48 20.591 20.591 20.922 -0.331 19148 1652 1 7 . 1 1 48 48 ALA H H 48 7.542 7.542 7.348 0.194 19148 1653 1 7 . 1 1 49 49 GLU N N 49 119.217 119.217 122.677 -3.460 19148 1654 1 7 . 1 1 49 49 GLU HA H 49 4.268 4.268 4.220 0.048 19148 1655 1 7 . 1 1 49 49 GLU C C 49 175.761 175.761 175.944 -0.183 19148 1656 1 7 . 1 1 49 49 GLU CA C 49 55.903 55.903 55.345 0.558 19148 1657 1 7 . 1 1 49 49 GLU CB C 49 30.140 30.140 28.817 1.323 19148 1658 1 7 . 1 1 49 49 GLU H H 49 8.061 8.061 8.683 -0.622 19148 1659 1 7 . 1 1 50 50 ILE N N 50 126.270 126.270 126.237 0.033 19148 1660 1 7 . 1 1 50 50 ILE HA H 50 3.908 3.908 3.834 0.074 19148 1661 1 7 . 1 1 50 50 ILE C C 50 174.483 174.483 174.658 -0.175 19148 1662 1 7 . 1 1 50 50 ILE CA C 50 58.126 58.126 57.606 0.520 19148 1663 1 7 . 1 1 50 50 ILE CB C 50 38.371 38.371 36.011 2.360 19148 1664 1 7 . 1 1 50 50 ILE H H 50 8.152 8.152 7.630 0.522 19148 1665 1 7 . 1 1 52 52 PRO HA H 52 4.554 4.554 4.317 0.237 19148 1666 1 7 . 1 1 52 52 PRO C C 52 175.742 175.742 175.633 0.109 19148 1667 1 7 . 1 1 52 52 PRO CA C 52 64.490 64.490 64.001 0.489 19148 1668 1 7 . 1 1 52 52 PRO CB C 52 32.330 32.330 32.296 0.034 19148 1669 1 7 . 1 1 53 53 GLU N N 53 114.593 114.593 112.647 1.946 19148 1670 1 7 . 1 1 53 53 GLU HA H 53 5.682 5.682 4.992 0.690 19148 1671 1 7 . 1 1 53 53 GLU C C 53 173.844 173.844 174.675 -0.831 19148 1672 1 7 . 1 1 53 53 GLU CA C 53 53.906 53.906 54.867 -0.961 19148 1673 1 7 . 1 1 53 53 GLU CB C 53 34.008 34.008 32.677 1.331 19148 1674 1 7 . 1 1 53 53 GLU H H 53 7.387 7.387 7.571 -0.184 19148 1675 1 7 . 1 1 54 54 TRP N N 54 122.688 122.688 124.216 -1.528 19148 1676 1 7 . 1 1 54 54 TRP HA H 54 4.301 4.301 4.928 -0.627 19148 1677 1 7 . 1 1 54 54 TRP C C 54 174.013 174.013 174.371 -0.358 19148 1678 1 7 . 1 1 54 54 TRP CA C 54 56.397 56.397 56.145 0.252 19148 1679 1 7 . 1 1 54 54 TRP CB C 54 32.444 32.444 33.284 -0.840 19148 1680 1 7 . 1 1 54 54 TRP H H 54 9.030 9.030 9.327 -0.297 19148 1681 1 7 . 1 1 55 55 GLU N N 55 125.661 125.661 123.434 2.227 19148 1682 1 7 . 1 1 55 55 GLU HA H 55 4.063 4.063 4.192 -0.129 19148 1683 1 7 . 1 1 55 55 GLU C C 55 175.893 175.893 175.503 0.390 19148 1684 1 7 . 1 1 55 55 GLU CA C 55 57.056 57.056 57.431 -0.375 19148 1685 1 7 . 1 1 55 55 GLU CB C 55 30.386 30.386 30.521 -0.135 19148 1686 1 7 . 1 1 55 55 GLU H H 55 7.143 7.143 7.992 -0.849 19148 1687 1 7 . 1 1 56 56 CYS N N 56 126.844 126.844 126.861 -0.017 19148 1688 1 7 . 1 1 56 56 CYS HA H 56 4.300 4.300 4.719 -0.419 19148 1689 1 7 . 1 1 56 56 CYS C C 56 177.998 177.998 175.721 2.277 19148 1690 1 7 . 1 1 56 56 CYS CA C 56 60.925 60.925 58.932 1.993 19148 1691 1 7 . 1 1 56 56 CYS CB C 56 30.304 30.304 26.665 3.639 19148 1692 1 7 . 1 1 56 56 CYS H H 56 9.476 9.476 9.038 0.438 19148 1693 1 7 . 1 1 57 57 LYS N N 57 130.306 130.306 128.125 2.181 19148 1694 1 7 . 1 1 57 57 LYS HA H 57 3.874 3.874 4.198 -0.324 19148 1695 1 7 . 1 1 57 57 LYS C C 57 175.686 175.686 176.734 -1.048 19148 1696 1 7 . 1 1 57 57 LYS CA C 57 57.961 57.961 57.797 0.164 19148 1697 1 7 . 1 1 57 57 LYS CB C 57 33.020 33.020 32.133 0.887 19148 1698 1 7 . 1 1 57 57 LYS H H 57 5.816 5.816 8.666 -2.850 19148 1699 1 7 . 1 1 58 58 VAL N N 58 121.332 121.332 119.086 2.246 19148 1700 1 7 . 1 1 58 58 VAL HA H 58 3.707 3.707 3.660 0.047 19148 1701 1 7 . 1 1 58 58 VAL C C 58 177.397 177.397 176.994 0.403 19148 1702 1 7 . 1 1 58 58 VAL CA C 58 64.958 64.958 64.778 0.180 19148 1703 1 7 . 1 1 58 58 VAL CB C 58 32.436 32.436 31.922 0.514 19148 1704 1 7 . 1 1 58 58 VAL H H 58 8.883 8.883 7.400 1.483 19148 1705 1 7 . 1 1 59 59 CYS N N 59 117.752 117.752 115.628 2.124 19148 1706 1 7 . 1 1 59 59 CYS HA H 59 5.061 5.061 4.677 0.384 19148 1707 1 7 . 1 1 59 59 CYS C C 59 176.795 176.795 175.476 1.319 19148 1708 1 7 . 1 1 59 59 CYS CA C 59 58.867 58.867 58.714 0.153 19148 1709 1 7 . 1 1 59 59 CYS CB C 59 34.255 34.255 29.538 4.716 19148 1710 1 7 . 1 1 59 59 CYS H H 59 8.310 8.310 7.974 0.336 19148 1711 1 7 . 1 1 60 60 GLY N N 60 113.490 113.490 110.580 2.910 19148 1712 1 7 . 1 1 60 60 GLY C C 60 173.110 173.110 173.203 -0.093 19148 1713 1 7 . 1 1 60 60 GLY CA C 60 46.355 46.355 45.018 1.337 19148 1714 1 7 . 1 1 60 60 GLY H H 60 8.078 8.078 7.700 0.378 19148 1715 1 7 . 1 1 61 61 ALA N N 61 124.940 124.940 121.490 3.450 19148 1716 1 7 . 1 1 61 61 ALA HA H 61 4.518 4.518 4.770 -0.252 19148 1717 1 7 . 1 1 61 61 ALA C C 61 175.724 175.724 175.125 0.599 19148 1718 1 7 . 1 1 61 61 ALA CA C 61 52.117 52.117 51.247 0.870 19148 1719 1 7 . 1 1 61 61 ALA CB C 61 21.167 21.167 21.167 0.000 19148 1720 1 7 . 1 1 61 61 ALA H H 61 8.516 8.516 7.467 1.049 19148 1721 1 7 . 1 1 62 62 GLN N N 62 118.486 118.486 119.180 -0.694 19148 1722 1 7 . 1 1 62 62 GLN HA H 62 4.183 4.183 4.626 -0.443 19148 1723 1 7 . 1 1 62 62 GLN C C 62 174.915 174.915 174.264 0.651 19148 1724 1 7 . 1 1 62 62 GLN CA C 62 57.632 57.632 54.842 2.790 19148 1725 1 7 . 1 1 62 62 GLN CB C 62 29.728 29.728 31.344 -1.616 19148 1726 1 7 . 1 1 62 62 GLN H H 62 8.492 8.492 8.659 -0.167 19148 1727 1 7 . 1 1 63 63 ALA N N 63 129.224 129.224 127.525 1.699 19148 1728 1 7 . 1 1 63 63 ALA HA H 63 4.926 4.926 5.122 -0.196 19148 1729 1 7 . 1 1 63 63 ALA C C 63 175.197 175.197 175.342 -0.145 19148 1730 1 7 . 1 1 63 63 ALA CA C 63 50.306 50.306 50.245 0.061 19148 1731 1 7 . 1 1 63 63 ALA CB C 63 21.744 21.744 22.345 -0.601 19148 1732 1 7 . 1 1 63 63 ALA H H 63 8.863 8.863 9.351 -0.488 19148 1733 1 7 . 1 1 64 64 LEU N N 64 121.213 121.213 124.136 -2.923 19148 1734 1 7 . 1 1 64 64 LEU HA H 64 5.210 5.210 4.782 0.428 19148 1735 1 7 . 1 1 64 64 LEU C C 64 177.322 177.322 176.482 0.840 19148 1736 1 7 . 1 1 64 64 LEU CA C 64 53.928 53.928 53.599 0.329 19148 1737 1 7 . 1 1 64 64 LEU CB C 64 44.874 44.874 43.575 1.298 19148 1738 1 7 . 1 1 64 64 LEU H H 64 8.137 8.137 9.223 -1.086 19148 1739 1 7 . 1 1 65 65 LEU N N 65 123.951 123.951 126.980 -3.029 19148 1740 1 7 . 1 1 65 65 LEU HA H 65 3.655 3.655 4.157 -0.502 19148 1741 1 7 . 1 1 65 65 LEU C C 65 177.058 177.058 175.965 1.093 19148 1742 1 7 . 1 1 65 65 LEU CA C 65 55.739 55.739 54.330 1.409 19148 1743 1 7 . 1 1 65 65 LEU CB C 65 43.145 43.145 41.284 1.861 19148 1744 1 7 . 1 1 65 65 LEU H H 65 7.619 7.619 8.466 -0.847 19148 1745 1 7 . 1 1 66 66 VAL N N 66 127.050 127.050 123.975 3.075 19148 1746 1 7 . 1 1 66 66 VAL HA H 66 3.928 3.928 4.211 -0.283 19148 1747 1 7 . 1 1 66 66 VAL C C 66 175.536 175.536 175.198 0.338 19148 1748 1 7 . 1 1 66 66 VAL CA C 66 62.735 62.735 60.735 2.000 19148 1749 1 7 . 1 1 66 66 VAL CB C 66 32.280 32.280 32.830 -0.550 19148 1750 1 7 . 1 1 66 66 VAL H H 66 8.392 8.392 8.494 -0.102 19148 1751 1 7 . 1 1 67 67 ASP N N 67 125.550 125.550 124.580 0.970 19148 1752 1 7 . 1 1 67 67 ASP HA H 67 4.626 4.626 4.274 0.352 19148 1753 1 7 . 1 1 67 67 ASP C C 67 176.269 176.269 175.085 1.184 19148 1754 1 7 . 1 1 67 67 ASP CA C 67 53.928 53.928 55.579 -1.651 19148 1755 1 7 . 1 1 67 67 ASP CB C 67 41.663 41.663 39.920 1.743 19148 1756 1 7 . 1 1 67 67 ASP H H 67 8.278 8.278 8.773 -0.495 19148 1757 1 7 . 1 1 68 68 GLY N N 68 109.554 109.554 105.874 3.680 19148 1758 1 7 . 1 1 68 68 GLY C C 68 173.806 173.806 173.382 0.424 19148 1759 1 7 . 1 1 68 68 GLY CA C 68 45.532 45.532 44.531 1.001 19148 1760 1 7 . 1 1 68 68 GLY H H 68 8.303 8.303 7.924 0.379 19148 1761 1 7 . 1 1 69 69 ASP N N 69 120.592 120.592 122.917 -2.325 19148 1762 1 7 . 1 1 69 69 ASP HA H 69 4.702 4.702 4.346 0.356 19148 1763 1 7 . 1 1 69 69 ASP C C 69 176.476 176.476 176.903 -0.427 19148 1764 1 7 . 1 1 69 69 ASP CA C 69 54.175 54.175 54.592 -0.417 19148 1765 1 7 . 1 1 69 69 ASP CB C 69 41.499 41.499 39.712 1.787 19148 1766 1 7 . 1 1 69 69 ASP H H 69 8.276 8.276 7.815 0.461 19148 1767 1 7 . 1 1 70 70 GLY N N 70 108.866 108.866 114.199 -5.333 19148 1768 1 7 . 1 1 70 70 GLY C C 70 172.001 172.001 172.541 -0.540 19148 1769 1 7 . 1 1 70 70 GLY CA C 70 44.791 44.791 44.713 0.078 19148 1770 1 7 . 1 1 70 70 GLY H H 70 8.175 8.175 8.069 0.106 19148 1771 1 7 . 1 1 71 71 PRO HA H 71 4.423 4.423 4.511 -0.088 19148 1772 1 7 . 1 1 71 71 PRO C C 71 177.171 177.171 176.418 0.753 19148 1773 1 7 . 1 1 71 71 PRO CA C 71 63.312 63.312 62.623 0.688 19148 1774 1 7 . 1 1 71 71 PRO CB C 71 32.197 32.197 31.751 0.446 19148 1775 1 7 . 1 1 72 72 GLU N N 72 120.852 120.852 123.701 -2.849 19148 1776 1 7 . 1 1 72 72 GLU HA H 72 4.256 4.256 4.001 0.255 19148 1777 1 7 . 1 1 72 72 GLU C C 72 176.494 176.494 176.818 -0.324 19148 1778 1 7 . 1 1 72 72 GLU CA C 72 56.727 56.727 57.096 -0.369 19148 1779 1 7 . 1 1 72 72 GLU CB C 72 30.386 30.386 29.632 0.754 19148 1780 1 7 . 1 1 72 72 GLU H H 72 8.466 8.466 8.388 0.078 19148 1781 1 7 . 1 1 73 73 GLU N N 73 122.189 122.189 119.878 2.311 19148 1782 1 7 . 1 1 73 73 GLU HA H 73 1.984 1.984 3.985 -2.001 19148 1783 1 7 . 1 1 73 73 GLU C C 73 176.043 176.043 175.332 0.711 19148 1784 1 7 . 1 1 73 73 GLU CA C 73 56.644 56.644 58.347 -1.703 19148 1785 1 7 . 1 1 73 73 GLU CB C 73 30.386 30.386 28.568 1.818 19148 1786 1 7 . 1 1 73 73 GLU H H 73 8.292 8.292 8.685 -0.393 19148 1787 1 7 . 1 1 74 74 LYS N N 74 123.989 123.989 119.501 4.488 19148 1788 1 7 . 1 1 74 74 LYS HA H 74 4.369 4.369 4.262 0.107 19148 1789 1 7 . 1 1 74 74 LYS C C 74 175.423 175.423 176.498 -1.075 19148 1790 1 7 . 1 1 74 74 LYS CA C 74 56.397 56.397 56.574 -0.177 19148 1791 1 7 . 1 1 74 74 LYS CB C 74 32.938 32.938 33.279 -0.341 19148 1792 1 7 . 1 1 74 74 LYS H H 74 8.309 8.309 7.542 0.767 19148 1793 1 8 . 1 1 29 29 ALA N N 29 125.100 125.100 122.749 2.351 19148 1794 1 8 . 1 1 29 29 ALA HA H 29 4.817 4.817 5.033 -0.216 19148 1795 1 8 . 1 1 29 29 ALA C C 29 176.438 176.438 174.844 1.594 19148 1796 1 8 . 1 1 29 29 ALA CA C 29 51.870 51.870 51.037 0.833 19148 1797 1 8 . 1 1 29 29 ALA CB C 29 20.920 20.920 22.547 -1.627 19148 1798 1 8 . 1 1 29 29 ALA H H 29 8.267 8.267 7.774 0.493 19148 1799 1 8 . 1 1 30 30 VAL N N 30 118.800 118.800 116.388 2.412 19148 1800 1 8 . 1 1 30 30 VAL HA H 30 4.350 4.350 4.260 0.090 19148 1801 1 8 . 1 1 30 30 VAL C C 30 173.844 173.844 174.298 -0.454 19148 1802 1 8 . 1 1 30 30 VAL CA C 30 60.842 60.842 60.866 -0.024 19148 1803 1 8 . 1 1 30 30 VAL CB C 30 33.926 33.926 33.315 0.611 19148 1804 1 8 . 1 1 30 30 VAL H H 30 8.363 8.363 7.985 0.378 19148 1805 1 8 . 1 1 31 31 GLU N N 31 122.726 122.726 123.879 -1.153 19148 1806 1 8 . 1 1 31 31 GLU HA H 31 5.020 5.020 5.026 -0.005 19148 1807 1 8 . 1 1 31 31 GLU C C 31 173.712 173.712 174.780 -1.068 19148 1808 1 8 . 1 1 31 31 GLU CA C 31 54.916 54.916 54.155 0.761 19148 1809 1 8 . 1 1 31 31 GLU CB C 31 33.679 33.679 33.019 0.660 19148 1810 1 8 . 1 1 31 31 GLU H H 31 8.278 8.278 8.586 -0.308 19148 1811 1 8 . 1 1 32 32 TYR N N 32 120.248 120.248 124.784 -4.536 19148 1812 1 8 . 1 1 32 32 TYR HA H 32 4.731 4.731 4.842 -0.111 19148 1813 1 8 . 1 1 32 32 TYR C C 32 174.389 174.389 173.839 0.550 19148 1814 1 8 . 1 1 32 32 TYR CA C 32 57.056 57.056 56.312 0.744 19148 1815 1 8 . 1 1 32 32 TYR CB C 32 43.063 43.063 42.211 0.852 19148 1816 1 8 . 1 1 32 32 TYR H H 32 8.243 8.243 8.973 -0.730 19148 1817 1 8 . 1 1 33 33 ALA N N 33 119.054 119.054 124.545 -5.491 19148 1818 1 8 . 1 1 33 33 ALA HA H 33 5.734 5.734 5.147 0.587 19148 1819 1 8 . 1 1 33 33 ALA C C 33 177.886 177.886 175.965 1.921 19148 1820 1 8 . 1 1 33 33 ALA CA C 33 50.635 50.635 50.120 0.515 19148 1821 1 8 . 1 1 33 33 ALA CB C 33 22.649 22.649 20.826 1.823 19148 1822 1 8 . 1 1 33 33 ALA H H 33 8.613 8.613 9.120 -0.507 19148 1823 1 8 . 1 1 34 34 CYS N N 34 124.578 124.578 125.004 -0.426 19148 1824 1 8 . 1 1 34 34 CYS HA H 34 5.558 5.558 4.820 0.738 19148 1825 1 8 . 1 1 34 34 CYS C C 34 177.472 177.472 176.659 0.813 19148 1826 1 8 . 1 1 34 34 CYS CA C 34 56.727 56.727 57.444 -0.716 19148 1827 1 8 . 1 1 34 34 CYS CB C 34 32.362 32.362 30.127 2.235 19148 1828 1 8 . 1 1 34 34 CYS H H 34 9.090 9.090 8.851 0.239 19148 1829 1 8 . 1 1 35 35 GLU N N 35 121.981 121.981 123.387 -1.406 19148 1830 1 8 . 1 1 35 35 GLU HA H 35 4.202 4.202 4.181 0.021 19148 1831 1 8 . 1 1 35 35 GLU C C 35 177.190 177.190 177.028 0.162 19148 1832 1 8 . 1 1 35 35 GLU CA C 35 59.031 59.031 58.571 0.460 19148 1833 1 8 . 1 1 35 35 GLU CB C 35 29.893 29.893 28.904 0.989 19148 1834 1 8 . 1 1 35 35 GLU H H 35 8.865 8.865 9.143 -0.278 19148 1835 1 8 . 1 1 36 36 LYS N N 36 121.258 121.258 119.081 2.177 19148 1836 1 8 . 1 1 36 36 LYS HA H 36 4.273 4.273 4.290 -0.017 19148 1837 1 8 . 1 1 36 36 LYS C C 36 176.551 176.551 177.154 -0.603 19148 1838 1 8 . 1 1 36 36 LYS CA C 36 55.986 55.986 55.987 -0.001 19148 1839 1 8 . 1 1 36 36 LYS CB C 36 32.115 32.115 32.418 -0.303 19148 1840 1 8 . 1 1 36 36 LYS H H 36 9.341 9.341 7.631 1.710 19148 1841 1 8 . 1 1 37 37 GLY N N 37 107.582 107.582 107.349 0.233 19148 1842 1 8 . 1 1 37 37 GLY C C 37 174.746 174.746 173.934 0.812 19148 1843 1 8 . 1 1 37 37 GLY CA C 37 45.367 45.367 45.274 0.093 19148 1844 1 8 . 1 1 37 37 GLY H H 37 7.902 7.902 7.877 0.025 19148 1845 1 8 . 1 1 38 38 HIS N N 38 122.025 122.025 120.105 1.920 19148 1846 1 8 . 1 1 38 38 HIS HA H 38 4.905 4.905 4.847 0.058 19148 1847 1 8 . 1 1 38 38 HIS C C 38 174.351 174.351 174.135 0.216 19148 1848 1 8 . 1 1 38 38 HIS CA C 38 56.644 56.644 55.529 1.115 19148 1849 1 8 . 1 1 38 38 HIS CB C 38 30.880 30.880 31.244 -0.364 19148 1850 1 8 . 1 1 38 38 HIS H H 38 7.812 7.812 8.012 -0.200 19148 1851 1 8 . 1 1 39 39 ARG N N 39 122.401 122.401 123.376 -0.975 19148 1852 1 8 . 1 1 39 39 ARG HA H 39 5.717 5.717 5.539 0.178 19148 1853 1 8 . 1 1 39 39 ARG C C 39 175.573 175.573 175.661 -0.088 19148 1854 1 8 . 1 1 39 39 ARG CA C 39 54.863 54.863 55.039 -0.176 19148 1855 1 8 . 1 1 39 39 ARG CB C 39 33.597 33.597 33.193 0.404 19148 1856 1 8 . 1 1 39 39 ARG H H 39 8.473 8.473 8.859 -0.386 19148 1857 1 8 . 1 1 40 40 PHE N N 40 119.867 119.867 118.244 1.623 19148 1858 1 8 . 1 1 40 40 PHE HA H 40 5.104 5.104 5.035 0.069 19148 1859 1 8 . 1 1 40 40 PHE C C 40 171.945 171.945 173.338 -1.393 19148 1860 1 8 . 1 1 40 40 PHE CA C 40 55.903 55.903 55.982 -0.079 19148 1861 1 8 . 1 1 40 40 PHE CB C 40 40.346 40.346 42.145 -1.799 19148 1862 1 8 . 1 1 40 40 PHE H H 40 8.531 8.531 8.842 -0.311 19148 1863 1 8 . 1 1 41 41 GLU N N 41 118.749 118.749 121.134 -2.385 19148 1864 1 8 . 1 1 41 41 GLU HA H 41 5.361 5.361 5.543 -0.182 19148 1865 1 8 . 1 1 41 41 GLU C C 41 176.532 176.532 175.494 1.038 19148 1866 1 8 . 1 1 41 41 GLU CA C 41 54.175 54.175 54.605 -0.430 19148 1867 1 8 . 1 1 41 41 GLU CB C 41 33.103 33.103 32.009 1.094 19148 1868 1 8 . 1 1 41 41 GLU H H 41 8.478 8.478 8.752 -0.274 19148 1869 1 8 . 1 1 42 42 MET N N 42 121.000 121.000 120.253 0.747 19148 1870 1 8 . 1 1 42 42 MET HA H 42 5.148 5.148 5.042 0.106 19148 1871 1 8 . 1 1 42 42 MET C C 42 173.862 173.862 173.603 0.259 19148 1872 1 8 . 1 1 42 42 MET CA C 42 51.047 51.047 52.565 -1.518 19148 1873 1 8 . 1 1 42 42 MET CB C 42 34.914 34.914 36.575 -1.661 19148 1874 1 8 . 1 1 42 42 MET H H 42 8.926 8.926 8.918 0.008 19148 1875 1 8 . 1 1 43 43 PRO HA H 43 4.978 4.978 4.717 0.261 19148 1876 1 8 . 1 1 43 43 PRO C C 43 176.006 176.006 175.475 0.531 19148 1877 1 8 . 1 1 43 43 PRO CA C 43 61.739 61.739 62.787 -1.048 19148 1878 1 8 . 1 1 43 43 PRO CB C 43 31.292 31.292 31.817 -0.525 19148 1879 1 8 . 1 1 44 44 PHE N N 44 119.990 119.990 124.047 -4.057 19148 1880 1 8 . 1 1 44 44 PHE HA H 44 4.786 4.786 4.666 0.120 19148 1881 1 8 . 1 1 44 44 PHE C C 44 175.216 175.216 174.851 0.365 19148 1882 1 8 . 1 1 44 44 PHE CA C 44 56.480 56.480 56.450 0.030 19148 1883 1 8 . 1 1 44 44 PHE CB C 44 42.404 42.404 42.940 -0.536 19148 1884 1 8 . 1 1 44 44 PHE H H 44 8.135 8.135 9.162 -1.027 19148 1885 1 8 . 1 1 45 45 SER N N 45 116.512 116.512 116.277 0.235 19148 1886 1 8 . 1 1 45 45 SER HA H 45 4.596 4.596 4.572 0.024 19148 1887 1 8 . 1 1 45 45 SER C C 45 175.742 175.742 175.350 0.392 19148 1888 1 8 . 1 1 45 45 SER CA C 45 58.044 58.044 57.460 0.584 19148 1889 1 8 . 1 1 45 45 SER CB C 45 63.970 63.970 63.757 0.213 19148 1890 1 8 . 1 1 45 45 SER H H 45 8.483 8.483 8.635 -0.152 19148 1891 1 8 . 1 1 46 46 VAL N N 46 120.000 120.000 126.439 -6.439 19148 1892 1 8 . 1 1 46 46 VAL HA H 46 4.054 4.054 3.894 0.160 19148 1893 1 8 . 1 1 46 46 VAL C C 46 176.400 176.400 176.253 0.147 19148 1894 1 8 . 1 1 46 46 VAL CA C 46 63.888 63.888 64.196 -0.308 19148 1895 1 8 . 1 1 46 46 VAL CB C 46 31.950 31.950 32.278 -0.327 19148 1896 1 8 . 1 1 46 46 VAL H H 46 8.220 8.220 8.919 -0.699 19148 1897 1 8 . 1 1 47 47 GLU N N 47 120.013 120.013 117.983 2.030 19148 1898 1 8 . 1 1 47 47 GLU HA H 47 4.247 4.247 4.503 -0.256 19148 1899 1 8 . 1 1 47 47 GLU C C 47 176.006 176.006 175.159 0.847 19148 1900 1 8 . 1 1 47 47 GLU CA C 47 56.974 56.974 55.062 1.913 19148 1901 1 8 . 1 1 47 47 GLU CB C 47 29.481 29.481 29.498 -0.017 19148 1902 1 8 . 1 1 47 47 GLU H H 47 8.401 8.401 8.491 -0.090 19148 1903 1 8 . 1 1 48 48 ALA N N 48 122.458 122.458 122.955 -0.497 19148 1904 1 8 . 1 1 48 48 ALA HA H 48 4.353 4.353 4.633 -0.281 19148 1905 1 8 . 1 1 48 48 ALA C C 48 176.870 176.870 176.025 0.845 19148 1906 1 8 . 1 1 48 48 ALA CA C 48 52.199 52.199 51.186 1.013 19148 1907 1 8 . 1 1 48 48 ALA CB C 48 20.591 20.591 20.929 -0.338 19148 1908 1 8 . 1 1 48 48 ALA H H 48 7.542 7.542 7.453 0.089 19148 1909 1 8 . 1 1 49 49 GLU N N 49 119.217 119.217 121.051 -1.834 19148 1910 1 8 . 1 1 49 49 GLU HA H 49 4.268 4.268 4.174 0.094 19148 1911 1 8 . 1 1 49 49 GLU C C 49 175.761 175.761 176.118 -0.357 19148 1912 1 8 . 1 1 49 49 GLU CA C 49 55.903 55.903 55.620 0.283 19148 1913 1 8 . 1 1 49 49 GLU CB C 49 30.140 30.140 29.423 0.717 19148 1914 1 8 . 1 1 49 49 GLU H H 49 8.061 8.061 8.574 -0.513 19148 1915 1 8 . 1 1 50 50 ILE N N 50 126.270 126.270 128.308 -2.038 19148 1916 1 8 . 1 1 50 50 ILE HA H 50 3.908 3.908 3.961 -0.053 19148 1917 1 8 . 1 1 50 50 ILE C C 50 174.483 174.483 174.228 0.255 19148 1918 1 8 . 1 1 50 50 ILE CA C 50 58.126 58.126 56.825 1.301 19148 1919 1 8 . 1 1 50 50 ILE CB C 50 38.371 38.371 36.569 1.802 19148 1920 1 8 . 1 1 50 50 ILE H H 50 8.152 8.152 7.900 0.252 19148 1921 1 8 . 1 1 52 52 PRO HA H 52 4.554 4.554 4.304 0.250 19148 1922 1 8 . 1 1 52 52 PRO C C 52 175.742 175.742 175.764 -0.022 19148 1923 1 8 . 1 1 52 52 PRO CA C 52 64.490 64.490 64.079 0.410 19148 1924 1 8 . 1 1 52 52 PRO CB C 52 32.330 32.330 32.337 -0.007 19148 1925 1 8 . 1 1 53 53 GLU N N 53 114.593 114.593 112.922 1.671 19148 1926 1 8 . 1 1 53 53 GLU HA H 53 5.682 5.682 5.048 0.634 19148 1927 1 8 . 1 1 53 53 GLU C C 53 173.844 173.844 174.815 -0.971 19148 1928 1 8 . 1 1 53 53 GLU CA C 53 53.906 53.906 54.782 -0.876 19148 1929 1 8 . 1 1 53 53 GLU CB C 53 34.008 34.008 32.913 1.095 19148 1930 1 8 . 1 1 53 53 GLU H H 53 7.387 7.387 7.617 -0.230 19148 1931 1 8 . 1 1 54 54 TRP N N 54 122.688 122.688 123.676 -0.988 19148 1932 1 8 . 1 1 54 54 TRP HA H 54 4.301 4.301 4.893 -0.592 19148 1933 1 8 . 1 1 54 54 TRP C C 54 174.013 174.013 174.214 -0.201 19148 1934 1 8 . 1 1 54 54 TRP CA C 54 56.397 56.397 56.307 0.090 19148 1935 1 8 . 1 1 54 54 TRP CB C 54 32.444 32.444 33.380 -0.936 19148 1936 1 8 . 1 1 54 54 TRP H H 54 9.030 9.030 9.405 -0.375 19148 1937 1 8 . 1 1 55 55 GLU N N 55 125.661 125.661 123.182 2.479 19148 1938 1 8 . 1 1 55 55 GLU HA H 55 4.063 4.063 4.283 -0.220 19148 1939 1 8 . 1 1 55 55 GLU C C 55 175.893 175.893 175.624 0.269 19148 1940 1 8 . 1 1 55 55 GLU CA C 55 57.056 57.056 57.522 -0.466 19148 1941 1 8 . 1 1 55 55 GLU CB C 55 30.386 30.386 30.502 -0.116 19148 1942 1 8 . 1 1 55 55 GLU H H 55 7.143 7.143 7.960 -0.817 19148 1943 1 8 . 1 1 56 56 CYS N N 56 126.844 126.844 126.679 0.165 19148 1944 1 8 . 1 1 56 56 CYS HA H 56 4.300 4.300 4.675 -0.375 19148 1945 1 8 . 1 1 56 56 CYS C C 56 177.998 177.998 175.622 2.376 19148 1946 1 8 . 1 1 56 56 CYS CA C 56 60.925 60.925 58.394 2.531 19148 1947 1 8 . 1 1 56 56 CYS CB C 56 30.304 30.304 26.951 3.353 19148 1948 1 8 . 1 1 56 56 CYS H H 56 9.476 9.476 9.061 0.415 19148 1949 1 8 . 1 1 57 57 LYS N N 57 130.306 130.306 127.883 2.423 19148 1950 1 8 . 1 1 57 57 LYS HA H 57 3.874 3.874 4.155 -0.281 19148 1951 1 8 . 1 1 57 57 LYS C C 57 175.686 175.686 176.478 -0.792 19148 1952 1 8 . 1 1 57 57 LYS CA C 57 57.961 57.961 57.768 0.193 19148 1953 1 8 . 1 1 57 57 LYS CB C 57 33.020 33.020 32.032 0.988 19148 1954 1 8 . 1 1 57 57 LYS H H 57 5.816 5.816 8.393 -2.577 19148 1955 1 8 . 1 1 58 58 VAL N N 58 121.332 121.332 118.524 2.808 19148 1956 1 8 . 1 1 58 58 VAL HA H 58 3.707 3.707 3.699 0.008 19148 1957 1 8 . 1 1 58 58 VAL C C 58 177.397 177.397 176.959 0.438 19148 1958 1 8 . 1 1 58 58 VAL CA C 58 64.958 64.958 65.151 -0.193 19148 1959 1 8 . 1 1 58 58 VAL CB C 58 32.436 32.436 32.172 0.264 19148 1960 1 8 . 1 1 58 58 VAL H H 58 8.883 8.883 7.274 1.609 19148 1961 1 8 . 1 1 59 59 CYS N N 59 117.752 117.752 116.666 1.086 19148 1962 1 8 . 1 1 59 59 CYS HA H 59 5.061 5.061 4.754 0.307 19148 1963 1 8 . 1 1 59 59 CYS C C 59 176.795 176.795 174.679 2.116 19148 1964 1 8 . 1 1 59 59 CYS CA C 59 58.867 58.867 58.858 0.009 19148 1965 1 8 . 1 1 59 59 CYS CB C 59 34.255 34.255 29.515 4.740 19148 1966 1 8 . 1 1 59 59 CYS H H 59 8.310 8.310 8.039 0.271 19148 1967 1 8 . 1 1 60 60 GLY N N 60 113.490 113.490 110.461 3.029 19148 1968 1 8 . 1 1 60 60 GLY C C 60 173.110 173.110 172.706 0.404 19148 1969 1 8 . 1 1 60 60 GLY CA C 60 46.355 46.355 45.096 1.259 19148 1970 1 8 . 1 1 60 60 GLY H H 60 8.078 8.078 7.930 0.148 19148 1971 1 8 . 1 1 61 61 ALA N N 61 124.940 124.940 122.486 2.454 19148 1972 1 8 . 1 1 61 61 ALA HA H 61 4.518 4.518 4.654 -0.136 19148 1973 1 8 . 1 1 61 61 ALA C C 61 175.724 175.724 174.991 0.733 19148 1974 1 8 . 1 1 61 61 ALA CA C 61 52.117 52.117 51.619 0.498 19148 1975 1 8 . 1 1 61 61 ALA CB C 61 21.167 21.167 21.055 0.112 19148 1976 1 8 . 1 1 61 61 ALA H H 61 8.516 8.516 7.482 1.034 19148 1977 1 8 . 1 1 62 62 GLN N N 62 118.486 118.486 119.717 -1.231 19148 1978 1 8 . 1 1 62 62 GLN HA H 62 4.183 4.183 4.650 -0.467 19148 1979 1 8 . 1 1 62 62 GLN C C 62 174.915 174.915 174.680 0.235 19148 1980 1 8 . 1 1 62 62 GLN CA C 62 57.632 57.632 54.780 2.852 19148 1981 1 8 . 1 1 62 62 GLN CB C 62 29.728 29.728 30.521 -0.793 19148 1982 1 8 . 1 1 62 62 GLN H H 62 8.492 8.492 8.778 -0.286 19148 1983 1 8 . 1 1 63 63 ALA N N 63 129.224 129.224 129.383 -0.159 19148 1984 1 8 . 1 1 63 63 ALA HA H 63 4.926 4.926 4.775 0.151 19148 1985 1 8 . 1 1 63 63 ALA C C 63 175.197 175.197 175.559 -0.362 19148 1986 1 8 . 1 1 63 63 ALA CA C 63 50.306 50.306 50.755 -0.449 19148 1987 1 8 . 1 1 63 63 ALA CB C 63 21.744 21.744 21.160 0.584 19148 1988 1 8 . 1 1 63 63 ALA H H 63 8.863 8.863 9.295 -0.432 19148 1989 1 8 . 1 1 64 64 LEU N N 64 121.213 121.213 123.989 -2.776 19148 1990 1 8 . 1 1 64 64 LEU HA H 64 5.210 5.210 4.812 0.398 19148 1991 1 8 . 1 1 64 64 LEU C C 64 177.322 177.322 176.591 0.731 19148 1992 1 8 . 1 1 64 64 LEU CA C 64 53.928 53.928 53.327 0.601 19148 1993 1 8 . 1 1 64 64 LEU CB C 64 44.874 44.874 43.807 1.067 19148 1994 1 8 . 1 1 64 64 LEU H H 64 8.137 8.137 8.618 -0.481 19148 1995 1 8 . 1 1 65 65 LEU N N 65 123.951 123.951 126.703 -2.752 19148 1996 1 8 . 1 1 65 65 LEU HA H 65 3.655 3.655 3.995 -0.340 19148 1997 1 8 . 1 1 65 65 LEU C C 65 177.058 177.058 175.898 1.160 19148 1998 1 8 . 1 1 65 65 LEU CA C 65 55.739 55.739 54.648 1.091 19148 1999 1 8 . 1 1 65 65 LEU CB C 65 43.145 43.145 41.002 2.143 19148 2000 1 8 . 1 1 65 65 LEU H H 65 7.619 7.619 8.414 -0.795 19148 2001 1 8 . 1 1 66 66 VAL N N 66 127.050 127.050 123.129 3.921 19148 2002 1 8 . 1 1 66 66 VAL HA H 66 3.928 3.928 4.324 -0.396 19148 2003 1 8 . 1 1 66 66 VAL C C 66 175.536 175.536 175.365 0.171 19148 2004 1 8 . 1 1 66 66 VAL CA C 66 62.735 62.735 60.190 2.546 19148 2005 1 8 . 1 1 66 66 VAL CB C 66 32.280 32.280 34.147 -1.867 19148 2006 1 8 . 1 1 66 66 VAL H H 66 8.392 8.392 8.111 0.281 19148 2007 1 8 . 1 1 67 67 ASP N N 67 125.550 125.550 122.394 3.156 19148 2008 1 8 . 1 1 67 67 ASP HA H 67 4.626 4.626 4.235 0.391 19148 2009 1 8 . 1 1 67 67 ASP C C 67 176.269 176.269 175.114 1.155 19148 2010 1 8 . 1 1 67 67 ASP CA C 67 53.928 53.928 55.529 -1.601 19148 2011 1 8 . 1 1 67 67 ASP CB C 67 41.663 41.663 40.140 1.523 19148 2012 1 8 . 1 1 67 67 ASP H H 67 8.278 8.278 8.897 -0.619 19148 2013 1 8 . 1 1 68 68 GLY N N 68 109.554 109.554 103.984 5.570 19148 2014 1 8 . 1 1 68 68 GLY C C 68 173.806 173.806 172.303 1.503 19148 2015 1 8 . 1 1 68 68 GLY CA C 68 45.532 45.532 44.163 1.369 19148 2016 1 8 . 1 1 68 68 GLY H H 68 8.303 8.303 7.755 0.548 19148 2017 1 8 . 1 1 69 69 ASP N N 69 120.592 120.592 117.815 2.777 19148 2018 1 8 . 1 1 69 69 ASP HA H 69 4.702 4.702 4.606 0.096 19148 2019 1 8 . 1 1 69 69 ASP C C 69 176.476 176.476 175.509 0.967 19148 2020 1 8 . 1 1 69 69 ASP CA C 69 54.175 54.175 54.939 -0.764 19148 2021 1 8 . 1 1 69 69 ASP CB C 69 41.499 41.499 41.890 -0.391 19148 2022 1 8 . 1 1 69 69 ASP H H 69 8.276 8.276 8.384 -0.108 19148 2023 1 8 . 1 1 70 70 GLY N N 70 108.866 108.866 106.865 2.001 19148 2024 1 8 . 1 1 70 70 GLY C C 70 172.001 172.001 172.408 -0.407 19148 2025 1 8 . 1 1 70 70 GLY CA C 70 44.791 44.791 45.233 -0.442 19148 2026 1 8 . 1 1 70 70 GLY H H 70 8.175 8.175 7.987 0.188 19148 2027 1 8 . 1 1 71 71 PRO HA H 71 4.423 4.423 4.614 -0.191 19148 2028 1 8 . 1 1 71 71 PRO C C 71 177.171 177.171 176.631 0.540 19148 2029 1 8 . 1 1 71 71 PRO CA C 71 63.312 63.312 62.667 0.645 19148 2030 1 8 . 1 1 71 71 PRO CB C 71 32.197 32.197 31.822 0.375 19148 2031 1 8 . 1 1 72 72 GLU N N 72 120.852 120.852 125.578 -4.726 19148 2032 1 8 . 1 1 72 72 GLU HA H 72 4.256 4.256 4.101 0.155 19148 2033 1 8 . 1 1 72 72 GLU C C 72 176.494 176.494 177.002 -0.508 19148 2034 1 8 . 1 1 72 72 GLU CA C 72 56.727 56.727 57.640 -0.913 19148 2035 1 8 . 1 1 72 72 GLU CB C 72 30.386 30.386 29.484 0.902 19148 2036 1 8 . 1 1 72 72 GLU H H 72 8.466 8.466 8.534 -0.068 19148 2037 1 8 . 1 1 73 73 GLU N N 73 122.189 122.189 122.974 -0.785 19148 2038 1 8 . 1 1 73 73 GLU HA H 73 1.984 1.984 3.946 -1.962 19148 2039 1 8 . 1 1 73 73 GLU C C 73 176.043 176.043 175.896 0.147 19148 2040 1 8 . 1 1 73 73 GLU CA C 73 56.644 56.644 57.733 -1.089 19148 2041 1 8 . 1 1 73 73 GLU CB C 73 30.386 30.386 28.651 1.735 19148 2042 1 8 . 1 1 73 73 GLU H H 73 8.292 8.292 8.921 -0.629 19148 2043 1 8 . 1 1 74 74 LYS N N 74 123.989 123.989 118.444 5.545 19148 2044 1 8 . 1 1 74 74 LYS HA H 74 4.369 4.369 4.048 0.321 19148 2045 1 8 . 1 1 74 74 LYS C C 74 175.423 175.423 177.038 -1.615 19148 2046 1 8 . 1 1 74 74 LYS CA C 74 56.397 56.397 58.261 -1.864 19148 2047 1 8 . 1 1 74 74 LYS CB C 74 32.938 32.938 32.962 -0.023 19148 2048 1 8 . 1 1 74 74 LYS H H 74 8.309 8.309 7.684 0.625 19148 2049 1 9 . 1 1 29 29 ALA N N 29 125.100 125.100 123.376 1.724 19148 2050 1 9 . 1 1 29 29 ALA HA H 29 4.817 4.817 4.998 -0.181 19148 2051 1 9 . 1 1 29 29 ALA C C 29 176.438 176.438 175.221 1.217 19148 2052 1 9 . 1 1 29 29 ALA CA C 29 51.870 51.870 51.458 0.412 19148 2053 1 9 . 1 1 29 29 ALA CB C 29 20.920 20.920 22.287 -1.367 19148 2054 1 9 . 1 1 29 29 ALA H H 29 8.267 8.267 7.698 0.569 19148 2055 1 9 . 1 1 30 30 VAL N N 30 118.800 118.800 117.631 1.169 19148 2056 1 9 . 1 1 30 30 VAL HA H 30 4.350 4.350 4.201 0.149 19148 2057 1 9 . 1 1 30 30 VAL C C 30 173.844 173.844 175.075 -1.231 19148 2058 1 9 . 1 1 30 30 VAL CA C 30 60.842 60.842 60.849 -0.007 19148 2059 1 9 . 1 1 30 30 VAL CB C 30 33.926 33.926 32.957 0.969 19148 2060 1 9 . 1 1 30 30 VAL H H 30 8.363 8.363 8.010 0.353 19148 2061 1 9 . 1 1 31 31 GLU N N 31 122.726 122.726 125.244 -2.518 19148 2062 1 9 . 1 1 31 31 GLU HA H 31 5.020 5.020 5.183 -0.163 19148 2063 1 9 . 1 1 31 31 GLU C C 31 173.712 173.712 175.265 -1.553 19148 2064 1 9 . 1 1 31 31 GLU CA C 31 54.916 54.916 54.624 0.292 19148 2065 1 9 . 1 1 31 31 GLU CB C 31 33.679 33.679 32.569 1.110 19148 2066 1 9 . 1 1 31 31 GLU H H 31 8.278 8.278 8.623 -0.345 19148 2067 1 9 . 1 1 32 32 TYR N N 32 120.248 120.248 122.938 -2.690 19148 2068 1 9 . 1 1 32 32 TYR HA H 32 4.731 4.731 4.857 -0.126 19148 2069 1 9 . 1 1 32 32 TYR C C 32 174.389 174.389 173.967 0.422 19148 2070 1 9 . 1 1 32 32 TYR CA C 32 57.056 57.056 56.154 0.902 19148 2071 1 9 . 1 1 32 32 TYR CB C 32 43.063 43.063 41.912 1.151 19148 2072 1 9 . 1 1 32 32 TYR H H 32 8.243 8.243 8.969 -0.726 19148 2073 1 9 . 1 1 33 33 ALA N N 33 119.054 119.054 123.895 -4.841 19148 2074 1 9 . 1 1 33 33 ALA HA H 33 5.734 5.734 5.273 0.461 19148 2075 1 9 . 1 1 33 33 ALA C C 33 177.886 177.886 176.480 1.406 19148 2076 1 9 . 1 1 33 33 ALA CA C 33 50.635 50.635 49.620 1.015 19148 2077 1 9 . 1 1 33 33 ALA CB C 33 22.649 22.649 21.137 1.512 19148 2078 1 9 . 1 1 33 33 ALA H H 33 8.613 8.613 9.150 -0.537 19148 2079 1 9 . 1 1 34 34 CYS N N 34 124.578 124.578 122.714 1.864 19148 2080 1 9 . 1 1 34 34 CYS HA H 34 5.558 5.558 5.071 0.487 19148 2081 1 9 . 1 1 34 34 CYS C C 34 177.472 177.472 177.308 0.164 19148 2082 1 9 . 1 1 34 34 CYS CA C 34 56.727 56.727 56.391 0.336 19148 2083 1 9 . 1 1 34 34 CYS CB C 34 32.362 32.362 29.885 2.477 19148 2084 1 9 . 1 1 34 34 CYS H H 34 9.090 9.090 9.165 -0.075 19148 2085 1 9 . 1 1 35 35 GLU N N 35 121.981 121.981 120.103 1.878 19148 2086 1 9 . 1 1 35 35 GLU HA H 35 4.202 4.202 4.145 0.057 19148 2087 1 9 . 1 1 35 35 GLU C C 35 177.190 177.190 177.243 -0.053 19148 2088 1 9 . 1 1 35 35 GLU CA C 35 59.031 59.031 58.555 0.476 19148 2089 1 9 . 1 1 35 35 GLU CB C 35 29.893 29.893 29.176 0.717 19148 2090 1 9 . 1 1 35 35 GLU H H 35 8.865 8.865 8.778 0.087 19148 2091 1 9 . 1 1 36 36 LYS N N 36 121.258 121.258 117.373 3.885 19148 2092 1 9 . 1 1 36 36 LYS HA H 36 4.273 4.273 4.400 -0.127 19148 2093 1 9 . 1 1 36 36 LYS C C 36 176.551 176.551 176.944 -0.393 19148 2094 1 9 . 1 1 36 36 LYS CA C 36 55.986 55.986 55.886 0.100 19148 2095 1 9 . 1 1 36 36 LYS CB C 36 32.115 32.115 32.172 -0.057 19148 2096 1 9 . 1 1 36 36 LYS H H 36 9.341 9.341 7.942 1.399 19148 2097 1 9 . 1 1 37 37 GLY N N 37 107.582 107.582 107.360 0.222 19148 2098 1 9 . 1 1 37 37 GLY C C 37 174.746 174.746 174.344 0.402 19148 2099 1 9 . 1 1 37 37 GLY CA C 37 45.367 45.367 45.180 0.187 19148 2100 1 9 . 1 1 37 37 GLY H H 37 7.902 7.902 7.690 0.212 19148 2101 1 9 . 1 1 38 38 HIS N N 38 122.025 122.025 120.318 1.707 19148 2102 1 9 . 1 1 38 38 HIS HA H 38 4.905 4.905 4.875 0.030 19148 2103 1 9 . 1 1 38 38 HIS C C 38 174.351 174.351 174.150 0.201 19148 2104 1 9 . 1 1 38 38 HIS CA C 38 56.644 56.644 55.348 1.296 19148 2105 1 9 . 1 1 38 38 HIS CB C 38 30.880 30.880 31.856 -0.976 19148 2106 1 9 . 1 1 38 38 HIS H H 38 7.812 7.812 8.164 -0.352 19148 2107 1 9 . 1 1 39 39 ARG N N 39 122.401 122.401 123.758 -1.357 19148 2108 1 9 . 1 1 39 39 ARG HA H 39 5.717 5.717 5.552 0.165 19148 2109 1 9 . 1 1 39 39 ARG C C 39 175.573 175.573 175.657 -0.084 19148 2110 1 9 . 1 1 39 39 ARG CA C 39 54.863 54.863 55.089 -0.226 19148 2111 1 9 . 1 1 39 39 ARG CB C 39 33.597 33.597 32.816 0.781 19148 2112 1 9 . 1 1 39 39 ARG H H 39 8.473 8.473 8.854 -0.381 19148 2113 1 9 . 1 1 40 40 PHE N N 40 119.867 119.867 119.478 0.389 19148 2114 1 9 . 1 1 40 40 PHE HA H 40 5.104 5.104 5.083 0.021 19148 2115 1 9 . 1 1 40 40 PHE C C 40 171.945 171.945 173.208 -1.263 19148 2116 1 9 . 1 1 40 40 PHE CA C 40 55.903 55.903 55.870 0.033 19148 2117 1 9 . 1 1 40 40 PHE CB C 40 40.346 40.346 42.474 -2.128 19148 2118 1 9 . 1 1 40 40 PHE H H 40 8.531 8.531 8.845 -0.314 19148 2119 1 9 . 1 1 41 41 GLU N N 41 118.749 118.749 121.218 -2.469 19148 2120 1 9 . 1 1 41 41 GLU HA H 41 5.361 5.361 5.576 -0.215 19148 2121 1 9 . 1 1 41 41 GLU C C 41 176.532 176.532 175.450 1.082 19148 2122 1 9 . 1 1 41 41 GLU CA C 41 54.175 54.175 54.549 -0.374 19148 2123 1 9 . 1 1 41 41 GLU CB C 41 33.103 33.103 32.359 0.744 19148 2124 1 9 . 1 1 41 41 GLU H H 41 8.478 8.478 8.773 -0.295 19148 2125 1 9 . 1 1 42 42 MET N N 42 121.000 121.000 119.592 1.408 19148 2126 1 9 . 1 1 42 42 MET HA H 42 5.148 5.148 4.981 0.167 19148 2127 1 9 . 1 1 42 42 MET C C 42 173.862 173.862 173.391 0.471 19148 2128 1 9 . 1 1 42 42 MET CA C 42 51.047 51.047 52.737 -1.690 19148 2129 1 9 . 1 1 42 42 MET CB C 42 34.914 34.914 36.661 -1.747 19148 2130 1 9 . 1 1 42 42 MET H H 42 8.926 8.926 9.022 -0.096 19148 2131 1 9 . 1 1 43 43 PRO HA H 43 4.978 4.978 4.589 0.389 19148 2132 1 9 . 1 1 43 43 PRO C C 43 176.006 176.006 175.659 0.347 19148 2133 1 9 . 1 1 43 43 PRO CA C 43 61.739 61.739 62.934 -1.195 19148 2134 1 9 . 1 1 43 43 PRO CB C 43 31.292 31.292 31.721 -0.429 19148 2135 1 9 . 1 1 44 44 PHE N N 44 119.990 119.990 123.759 -3.769 19148 2136 1 9 . 1 1 44 44 PHE HA H 44 4.786 4.786 4.719 0.067 19148 2137 1 9 . 1 1 44 44 PHE C C 44 175.216 175.216 174.487 0.729 19148 2138 1 9 . 1 1 44 44 PHE CA C 44 56.480 56.480 56.545 -0.065 19148 2139 1 9 . 1 1 44 44 PHE CB C 44 42.404 42.404 43.363 -0.959 19148 2140 1 9 . 1 1 44 44 PHE H H 44 8.135 8.135 9.118 -0.983 19148 2141 1 9 . 1 1 45 45 SER N N 45 116.512 116.512 116.928 -0.416 19148 2142 1 9 . 1 1 45 45 SER HA H 45 4.596 4.596 4.682 -0.086 19148 2143 1 9 . 1 1 45 45 SER C C 45 175.742 175.742 175.363 0.379 19148 2144 1 9 . 1 1 45 45 SER CA C 45 58.044 58.044 57.400 0.644 19148 2145 1 9 . 1 1 45 45 SER CB C 45 63.970 63.970 64.126 -0.156 19148 2146 1 9 . 1 1 45 45 SER H H 45 8.483 8.483 8.589 -0.106 19148 2147 1 9 . 1 1 46 46 VAL N N 46 120.000 120.000 119.225 0.775 19148 2148 1 9 . 1 1 46 46 VAL HA H 46 4.054 4.054 4.240 -0.186 19148 2149 1 9 . 1 1 46 46 VAL C C 46 176.400 176.400 176.216 0.184 19148 2150 1 9 . 1 1 46 46 VAL CA C 46 63.888 63.888 64.053 -0.165 19148 2151 1 9 . 1 1 46 46 VAL CB C 46 31.950 31.950 31.876 0.074 19148 2152 1 9 . 1 1 46 46 VAL H H 46 8.220 8.220 8.813 -0.593 19148 2153 1 9 . 1 1 47 47 GLU N N 47 120.013 120.013 118.940 1.073 19148 2154 1 9 . 1 1 47 47 GLU HA H 47 4.247 4.247 4.422 -0.175 19148 2155 1 9 . 1 1 47 47 GLU C C 47 176.006 176.006 175.142 0.864 19148 2156 1 9 . 1 1 47 47 GLU CA C 47 56.974 56.974 55.097 1.877 19148 2157 1 9 . 1 1 47 47 GLU CB C 47 29.481 29.481 29.049 0.432 19148 2158 1 9 . 1 1 47 47 GLU H H 47 8.401 8.401 8.323 0.078 19148 2159 1 9 . 1 1 48 48 ALA N N 48 122.458 122.458 122.875 -0.417 19148 2160 1 9 . 1 1 48 48 ALA HA H 48 4.353 4.353 4.607 -0.254 19148 2161 1 9 . 1 1 48 48 ALA C C 48 176.870 176.870 176.561 0.309 19148 2162 1 9 . 1 1 48 48 ALA CA C 48 52.199 52.199 50.926 1.273 19148 2163 1 9 . 1 1 48 48 ALA CB C 48 20.591 20.591 20.985 -0.394 19148 2164 1 9 . 1 1 48 48 ALA H H 48 7.542 7.542 7.241 0.301 19148 2165 1 9 . 1 1 49 49 GLU N N 49 119.217 119.217 121.255 -2.038 19148 2166 1 9 . 1 1 49 49 GLU HA H 49 4.268 4.268 4.246 0.022 19148 2167 1 9 . 1 1 49 49 GLU C C 49 175.761 175.761 175.701 0.060 19148 2168 1 9 . 1 1 49 49 GLU CA C 49 55.903 55.903 55.151 0.752 19148 2169 1 9 . 1 1 49 49 GLU CB C 49 30.140 30.140 28.041 2.099 19148 2170 1 9 . 1 1 49 49 GLU H H 49 8.061 8.061 8.620 -0.559 19148 2171 1 9 . 1 1 50 50 ILE N N 50 126.270 126.270 125.772 0.498 19148 2172 1 9 . 1 1 50 50 ILE HA H 50 3.908 3.908 3.740 0.168 19148 2173 1 9 . 1 1 50 50 ILE C C 50 174.483 174.483 174.642 -0.159 19148 2174 1 9 . 1 1 50 50 ILE CA C 50 58.126 58.126 57.235 0.891 19148 2175 1 9 . 1 1 50 50 ILE CB C 50 38.371 38.371 36.315 2.056 19148 2176 1 9 . 1 1 50 50 ILE H H 50 8.152 8.152 7.688 0.464 19148 2177 1 9 . 1 1 52 52 PRO HA H 52 4.554 4.554 4.303 0.251 19148 2178 1 9 . 1 1 52 52 PRO C C 52 175.742 175.742 175.758 -0.016 19148 2179 1 9 . 1 1 52 52 PRO CA C 52 64.490 64.490 64.404 0.086 19148 2180 1 9 . 1 1 52 52 PRO CB C 52 32.330 32.330 32.316 0.015 19148 2181 1 9 . 1 1 53 53 GLU N N 53 114.593 114.593 113.844 0.749 19148 2182 1 9 . 1 1 53 53 GLU HA H 53 5.682 5.682 4.899 0.783 19148 2183 1 9 . 1 1 53 53 GLU C C 53 173.844 173.844 174.275 -0.431 19148 2184 1 9 . 1 1 53 53 GLU CA C 53 53.906 53.906 54.734 -0.828 19148 2185 1 9 . 1 1 53 53 GLU CB C 53 34.008 34.008 32.050 1.958 19148 2186 1 9 . 1 1 53 53 GLU H H 53 7.387 7.387 7.619 -0.232 19148 2187 1 9 . 1 1 54 54 TRP N N 54 122.688 122.688 121.833 0.855 19148 2188 1 9 . 1 1 54 54 TRP HA H 54 4.301 4.301 4.834 -0.533 19148 2189 1 9 . 1 1 54 54 TRP C C 54 174.013 174.013 174.216 -0.203 19148 2190 1 9 . 1 1 54 54 TRP CA C 54 56.397 56.397 56.332 0.065 19148 2191 1 9 . 1 1 54 54 TRP CB C 54 32.444 32.444 32.791 -0.347 19148 2192 1 9 . 1 1 54 54 TRP H H 54 9.030 9.030 9.197 -0.167 19148 2193 1 9 . 1 1 55 55 GLU N N 55 125.661 125.661 123.462 2.199 19148 2194 1 9 . 1 1 55 55 GLU HA H 55 4.063 4.063 4.307 -0.244 19148 2195 1 9 . 1 1 55 55 GLU C C 55 175.893 175.893 175.567 0.326 19148 2196 1 9 . 1 1 55 55 GLU CA C 55 57.056 57.056 57.494 -0.438 19148 2197 1 9 . 1 1 55 55 GLU CB C 55 30.386 30.386 30.571 -0.185 19148 2198 1 9 . 1 1 55 55 GLU H H 55 7.143 7.143 7.936 -0.793 19148 2199 1 9 . 1 1 56 56 CYS N N 56 126.844 126.844 126.595 0.249 19148 2200 1 9 . 1 1 56 56 CYS HA H 56 4.300 4.300 4.594 -0.294 19148 2201 1 9 . 1 1 56 56 CYS C C 56 177.998 177.998 175.614 2.384 19148 2202 1 9 . 1 1 56 56 CYS CA C 56 60.925 60.925 58.490 2.434 19148 2203 1 9 . 1 1 56 56 CYS CB C 56 30.304 30.304 26.718 3.586 19148 2204 1 9 . 1 1 56 56 CYS H H 56 9.476 9.476 9.065 0.411 19148 2205 1 9 . 1 1 57 57 LYS N N 57 130.306 130.306 127.737 2.569 19148 2206 1 9 . 1 1 57 57 LYS HA H 57 3.874 3.874 4.136 -0.262 19148 2207 1 9 . 1 1 57 57 LYS C C 57 175.686 175.686 176.559 -0.873 19148 2208 1 9 . 1 1 57 57 LYS CA C 57 57.961 57.961 57.463 0.498 19148 2209 1 9 . 1 1 57 57 LYS CB C 57 33.020 33.020 31.976 1.044 19148 2210 1 9 . 1 1 57 57 LYS H H 57 5.816 5.816 8.275 -2.459 19148 2211 1 9 . 1 1 58 58 VAL N N 58 121.332 121.332 118.330 3.002 19148 2212 1 9 . 1 1 58 58 VAL HA H 58 3.707 3.707 3.708 -0.001 19148 2213 1 9 . 1 1 58 58 VAL C C 58 177.397 177.397 176.892 0.505 19148 2214 1 9 . 1 1 58 58 VAL CA C 58 64.958 64.958 64.903 0.055 19148 2215 1 9 . 1 1 58 58 VAL CB C 58 32.436 32.436 32.615 -0.179 19148 2216 1 9 . 1 1 58 58 VAL H H 58 8.883 8.883 7.337 1.546 19148 2217 1 9 . 1 1 59 59 CYS N N 59 117.752 117.752 116.754 0.998 19148 2218 1 9 . 1 1 59 59 CYS HA H 59 5.061 5.061 4.702 0.359 19148 2219 1 9 . 1 1 59 59 CYS C C 59 176.795 176.795 174.654 2.141 19148 2220 1 9 . 1 1 59 59 CYS CA C 59 58.867 58.867 58.780 0.087 19148 2221 1 9 . 1 1 59 59 CYS CB C 59 34.255 34.255 29.995 4.260 19148 2222 1 9 . 1 1 59 59 CYS H H 59 8.310 8.310 8.176 0.134 19148 2223 1 9 . 1 1 60 60 GLY N N 60 113.490 113.490 110.589 2.901 19148 2224 1 9 . 1 1 60 60 GLY C C 60 173.110 173.110 172.631 0.479 19148 2225 1 9 . 1 1 60 60 GLY CA C 60 46.355 46.355 45.161 1.194 19148 2226 1 9 . 1 1 60 60 GLY H H 60 8.078 8.078 7.741 0.337 19148 2227 1 9 . 1 1 61 61 ALA N N 61 124.940 124.940 122.439 2.501 19148 2228 1 9 . 1 1 61 61 ALA HA H 61 4.518 4.518 4.605 -0.087 19148 2229 1 9 . 1 1 61 61 ALA C C 61 175.724 175.724 174.804 0.920 19148 2230 1 9 . 1 1 61 61 ALA CA C 61 52.117 52.117 52.005 0.112 19148 2231 1 9 . 1 1 61 61 ALA CB C 61 21.167 21.167 20.724 0.443 19148 2232 1 9 . 1 1 61 61 ALA H H 61 8.516 8.516 7.610 0.906 19148 2233 1 9 . 1 1 62 62 GLN N N 62 118.486 118.486 119.334 -0.848 19148 2234 1 9 . 1 1 62 62 GLN HA H 62 4.183 4.183 4.592 -0.409 19148 2235 1 9 . 1 1 62 62 GLN C C 62 174.915 174.915 174.384 0.531 19148 2236 1 9 . 1 1 62 62 GLN CA C 62 57.632 57.632 54.909 2.723 19148 2237 1 9 . 1 1 62 62 GLN CB C 62 29.728 29.728 30.999 -1.271 19148 2238 1 9 . 1 1 62 62 GLN H H 62 8.492 8.492 8.693 -0.201 19148 2239 1 9 . 1 1 63 63 ALA N N 63 129.224 129.224 127.496 1.728 19148 2240 1 9 . 1 1 63 63 ALA HA H 63 4.926 4.926 5.088 -0.162 19148 2241 1 9 . 1 1 63 63 ALA C C 63 175.197 175.197 175.289 -0.092 19148 2242 1 9 . 1 1 63 63 ALA CA C 63 50.306 50.306 50.157 0.148 19148 2243 1 9 . 1 1 63 63 ALA CB C 63 21.744 21.744 22.632 -0.888 19148 2244 1 9 . 1 1 63 63 ALA H H 63 8.863 8.863 9.375 -0.512 19148 2245 1 9 . 1 1 64 64 LEU N N 64 121.213 121.213 122.726 -1.513 19148 2246 1 9 . 1 1 64 64 LEU HA H 64 5.210 5.210 4.871 0.339 19148 2247 1 9 . 1 1 64 64 LEU C C 64 177.322 177.322 176.404 0.918 19148 2248 1 9 . 1 1 64 64 LEU CA C 64 53.928 53.928 53.457 0.471 19148 2249 1 9 . 1 1 64 64 LEU CB C 64 44.874 44.874 43.998 0.876 19148 2250 1 9 . 1 1 64 64 LEU H H 64 8.137 8.137 9.119 -0.982 19148 2251 1 9 . 1 1 65 65 LEU N N 65 123.951 123.951 126.495 -2.544 19148 2252 1 9 . 1 1 65 65 LEU HA H 65 3.655 3.655 4.141 -0.486 19148 2253 1 9 . 1 1 65 65 LEU C C 65 177.058 177.058 175.931 1.127 19148 2254 1 9 . 1 1 65 65 LEU CA C 65 55.739 55.739 54.387 1.352 19148 2255 1 9 . 1 1 65 65 LEU CB C 65 43.145 43.145 41.666 1.479 19148 2256 1 9 . 1 1 65 65 LEU H H 65 7.619 7.619 8.651 -1.032 19148 2257 1 9 . 1 1 66 66 VAL N N 66 127.050 127.050 123.433 3.617 19148 2258 1 9 . 1 1 66 66 VAL HA H 66 3.928 3.928 4.295 -0.367 19148 2259 1 9 . 1 1 66 66 VAL C C 66 175.536 175.536 174.937 0.599 19148 2260 1 9 . 1 1 66 66 VAL CA C 66 62.735 62.735 60.680 2.055 19148 2261 1 9 . 1 1 66 66 VAL CB C 66 32.280 32.280 32.814 -0.534 19148 2262 1 9 . 1 1 66 66 VAL H H 66 8.392 8.392 8.408 -0.016 19148 2263 1 9 . 1 1 67 67 ASP N N 67 125.550 125.550 125.706 -0.156 19148 2264 1 9 . 1 1 67 67 ASP HA H 67 4.626 4.626 4.231 0.395 19148 2265 1 9 . 1 1 67 67 ASP C C 67 176.269 176.269 175.510 0.759 19148 2266 1 9 . 1 1 67 67 ASP CA C 67 53.928 53.928 55.359 -1.431 19148 2267 1 9 . 1 1 67 67 ASP CB C 67 41.663 41.663 40.782 0.880 19148 2268 1 9 . 1 1 67 67 ASP H H 67 8.278 8.278 8.864 -0.586 19148 2269 1 9 . 1 1 68 68 GLY N N 68 109.554 109.554 108.784 0.770 19148 2270 1 9 . 1 1 68 68 GLY C C 68 173.806 173.806 172.792 1.014 19148 2271 1 9 . 1 1 68 68 GLY CA C 68 45.532 45.532 45.326 0.206 19148 2272 1 9 . 1 1 68 68 GLY H H 68 8.303 8.303 8.000 0.303 19148 2273 1 9 . 1 1 69 69 ASP N N 69 120.592 120.592 120.428 0.164 19148 2274 1 9 . 1 1 69 69 ASP HA H 69 4.702 4.702 4.436 0.266 19148 2275 1 9 . 1 1 69 69 ASP C C 69 176.476 176.476 175.634 0.842 19148 2276 1 9 . 1 1 69 69 ASP CA C 69 54.175 54.175 54.860 -0.685 19148 2277 1 9 . 1 1 69 69 ASP CB C 69 41.499 41.499 40.219 1.280 19148 2278 1 9 . 1 1 69 69 ASP H H 69 8.276 8.276 8.411 -0.135 19148 2279 1 9 . 1 1 70 70 GLY N N 70 108.866 108.866 104.445 4.421 19148 2280 1 9 . 1 1 70 70 GLY C C 70 172.001 172.001 171.702 0.299 19148 2281 1 9 . 1 1 70 70 GLY CA C 70 44.791 44.791 44.928 -0.137 19148 2282 1 9 . 1 1 70 70 GLY H H 70 8.175 8.175 8.004 0.171 19148 2283 1 9 . 1 1 71 71 PRO HA H 71 4.423 4.423 4.910 -0.487 19148 2284 1 9 . 1 1 71 71 PRO C C 71 177.171 177.171 177.161 0.010 19148 2285 1 9 . 1 1 71 71 PRO CA C 71 63.312 63.312 62.516 0.796 19148 2286 1 9 . 1 1 71 71 PRO CB C 71 32.197 32.197 32.739 -0.542 19148 2287 1 9 . 1 1 72 72 GLU N N 72 120.852 120.852 123.322 -2.470 19148 2288 1 9 . 1 1 72 72 GLU HA H 72 4.256 4.256 3.973 0.283 19148 2289 1 9 . 1 1 72 72 GLU C C 72 176.494 176.494 177.922 -1.428 19148 2290 1 9 . 1 1 72 72 GLU CA C 72 56.727 56.727 59.900 -3.172 19148 2291 1 9 . 1 1 72 72 GLU CB C 72 30.386 30.386 29.918 0.468 19148 2292 1 9 . 1 1 72 72 GLU H H 72 8.466 8.466 8.855 -0.389 19148 2293 1 9 . 1 1 73 73 GLU N N 73 122.189 122.189 117.093 5.096 19148 2294 1 9 . 1 1 73 73 GLU HA H 73 1.984 1.984 4.367 -2.383 19148 2295 1 9 . 1 1 73 73 GLU C C 73 176.043 176.043 176.291 -0.248 19148 2296 1 9 . 1 1 73 73 GLU CA C 73 56.644 56.644 55.973 0.671 19148 2297 1 9 . 1 1 73 73 GLU CB C 73 30.386 30.386 29.516 0.870 19148 2298 1 9 . 1 1 73 73 GLU H H 73 8.292 8.292 8.137 0.155 19148 2299 1 9 . 1 1 74 74 LYS N N 74 123.989 123.989 119.524 4.465 19148 2300 1 9 . 1 1 74 74 LYS HA H 74 4.369 4.369 4.333 0.036 19148 2301 1 9 . 1 1 74 74 LYS C C 74 175.423 175.423 175.994 -0.571 19148 2302 1 9 . 1 1 74 74 LYS CA C 74 56.397 56.397 57.155 -0.758 19148 2303 1 9 . 1 1 74 74 LYS CB C 74 32.938 32.938 32.967 -0.029 19148 2304 1 9 . 1 1 74 74 LYS H H 74 8.309 8.309 8.160 0.149 19148 2305 1 10 . 1 1 29 29 ALA N N 29 125.100 125.100 123.525 1.575 19148 2306 1 10 . 1 1 29 29 ALA HA H 29 4.817 4.817 4.643 0.174 19148 2307 1 10 . 1 1 29 29 ALA C C 29 176.438 176.438 174.927 1.511 19148 2308 1 10 . 1 1 29 29 ALA CA C 29 51.870 51.870 51.053 0.817 19148 2309 1 10 . 1 1 29 29 ALA CB C 29 20.920 20.920 22.349 -1.429 19148 2310 1 10 . 1 1 29 29 ALA H H 29 8.267 8.267 7.896 0.371 19148 2311 1 10 . 1 1 30 30 VAL N N 30 118.800 118.800 117.752 1.048 19148 2312 1 10 . 1 1 30 30 VAL HA H 30 4.350 4.350 4.424 -0.074 19148 2313 1 10 . 1 1 30 30 VAL C C 30 173.844 173.844 174.378 -0.534 19148 2314 1 10 . 1 1 30 30 VAL CA C 30 60.842 60.842 60.110 0.732 19148 2315 1 10 . 1 1 30 30 VAL CB C 30 33.926 33.926 33.527 0.399 19148 2316 1 10 . 1 1 30 30 VAL H H 30 8.363 8.363 8.107 0.256 19148 2317 1 10 . 1 1 31 31 GLU N N 31 122.726 122.726 124.714 -1.988 19148 2318 1 10 . 1 1 31 31 GLU HA H 31 5.020 5.020 5.104 -0.084 19148 2319 1 10 . 1 1 31 31 GLU C C 31 173.712 173.712 175.193 -1.481 19148 2320 1 10 . 1 1 31 31 GLU CA C 31 54.916 54.916 54.610 0.306 19148 2321 1 10 . 1 1 31 31 GLU CB C 31 33.679 33.679 33.059 0.620 19148 2322 1 10 . 1 1 31 31 GLU H H 31 8.278 8.278 8.581 -0.303 19148 2323 1 10 . 1 1 32 32 TYR N N 32 120.248 120.248 122.389 -2.141 19148 2324 1 10 . 1 1 32 32 TYR HA H 32 4.731 4.731 4.789 -0.058 19148 2325 1 10 . 1 1 32 32 TYR C C 32 174.389 174.389 173.587 0.802 19148 2326 1 10 . 1 1 32 32 TYR CA C 32 57.056 57.056 56.294 0.762 19148 2327 1 10 . 1 1 32 32 TYR CB C 32 43.063 43.063 42.631 0.432 19148 2328 1 10 . 1 1 32 32 TYR H H 32 8.243 8.243 9.044 -0.801 19148 2329 1 10 . 1 1 33 33 ALA N N 33 119.054 119.054 123.838 -4.784 19148 2330 1 10 . 1 1 33 33 ALA HA H 33 5.734 5.734 5.026 0.708 19148 2331 1 10 . 1 1 33 33 ALA C C 33 177.886 177.886 175.543 2.343 19148 2332 1 10 . 1 1 33 33 ALA CA C 33 50.635 50.635 50.252 0.383 19148 2333 1 10 . 1 1 33 33 ALA CB C 33 22.649 22.649 21.164 1.485 19148 2334 1 10 . 1 1 33 33 ALA H H 33 8.613 8.613 9.152 -0.539 19148 2335 1 10 . 1 1 34 34 CYS N N 34 124.578 124.578 124.264 0.314 19148 2336 1 10 . 1 1 34 34 CYS HA H 34 5.558 5.558 4.798 0.760 19148 2337 1 10 . 1 1 34 34 CYS C C 34 177.472 177.472 176.207 1.265 19148 2338 1 10 . 1 1 34 34 CYS CA C 34 56.727 56.727 57.459 -0.732 19148 2339 1 10 . 1 1 34 34 CYS CB C 34 32.362 32.362 30.297 2.065 19148 2340 1 10 . 1 1 34 34 CYS H H 34 9.090 9.090 8.629 0.461 19148 2341 1 10 . 1 1 35 35 GLU N N 35 121.981 121.981 123.226 -1.245 19148 2342 1 10 . 1 1 35 35 GLU HA H 35 4.202 4.202 4.119 0.083 19148 2343 1 10 . 1 1 35 35 GLU C C 35 177.190 177.190 176.752 0.438 19148 2344 1 10 . 1 1 35 35 GLU CA C 35 59.031 59.031 58.835 0.196 19148 2345 1 10 . 1 1 35 35 GLU CB C 35 29.893 29.893 29.283 0.610 19148 2346 1 10 . 1 1 35 35 GLU H H 35 8.865 8.865 9.191 -0.326 19148 2347 1 10 . 1 1 36 36 LYS N N 36 121.258 121.258 117.730 3.528 19148 2348 1 10 . 1 1 36 36 LYS HA H 36 4.273 4.273 4.178 0.095 19148 2349 1 10 . 1 1 36 36 LYS C C 36 176.551 176.551 177.247 -0.696 19148 2350 1 10 . 1 1 36 36 LYS CA C 36 55.986 55.986 55.794 0.192 19148 2351 1 10 . 1 1 36 36 LYS CB C 36 32.115 32.115 31.613 0.502 19148 2352 1 10 . 1 1 36 36 LYS H H 36 9.341 9.341 7.912 1.429 19148 2353 1 10 . 1 1 37 37 GLY N N 37 107.582 107.582 107.117 0.465 19148 2354 1 10 . 1 1 37 37 GLY C C 37 174.746 174.746 173.876 0.870 19148 2355 1 10 . 1 1 37 37 GLY CA C 37 45.367 45.367 45.214 0.153 19148 2356 1 10 . 1 1 37 37 GLY H H 37 7.902 7.902 7.932 -0.030 19148 2357 1 10 . 1 1 38 38 HIS N N 38 122.025 122.025 120.220 1.805 19148 2358 1 10 . 1 1 38 38 HIS HA H 38 4.905 4.905 4.797 0.108 19148 2359 1 10 . 1 1 38 38 HIS C C 38 174.351 174.351 174.306 0.045 19148 2360 1 10 . 1 1 38 38 HIS CA C 38 56.644 56.644 54.408 2.236 19148 2361 1 10 . 1 1 38 38 HIS CB C 38 30.880 30.880 31.086 -0.206 19148 2362 1 10 . 1 1 38 38 HIS H H 38 7.812 7.812 8.143 -0.331 19148 2363 1 10 . 1 1 39 39 ARG N N 39 122.401 122.401 124.507 -2.106 19148 2364 1 10 . 1 1 39 39 ARG HA H 39 5.717 5.717 5.378 0.339 19148 2365 1 10 . 1 1 39 39 ARG C C 39 175.573 175.573 175.692 -0.119 19148 2366 1 10 . 1 1 39 39 ARG CA C 39 54.863 54.863 55.371 -0.508 19148 2367 1 10 . 1 1 39 39 ARG CB C 39 33.597 33.597 32.602 0.995 19148 2368 1 10 . 1 1 39 39 ARG H H 39 8.473 8.473 8.870 -0.397 19148 2369 1 10 . 1 1 40 40 PHE N N 40 119.867 119.867 118.264 1.603 19148 2370 1 10 . 1 1 40 40 PHE HA H 40 5.104 5.104 5.007 0.097 19148 2371 1 10 . 1 1 40 40 PHE C C 40 171.945 171.945 173.400 -1.455 19148 2372 1 10 . 1 1 40 40 PHE CA C 40 55.903 55.903 56.227 -0.324 19148 2373 1 10 . 1 1 40 40 PHE CB C 40 40.346 40.346 41.628 -1.282 19148 2374 1 10 . 1 1 40 40 PHE H H 40 8.531 8.531 8.857 -0.326 19148 2375 1 10 . 1 1 41 41 GLU N N 41 118.749 118.749 122.209 -3.460 19148 2376 1 10 . 1 1 41 41 GLU HA H 41 5.361 5.361 5.353 0.008 19148 2377 1 10 . 1 1 41 41 GLU C C 41 176.532 176.532 175.888 0.644 19148 2378 1 10 . 1 1 41 41 GLU CA C 41 54.175 54.175 55.099 -0.924 19148 2379 1 10 . 1 1 41 41 GLU CB C 41 33.103 33.103 32.032 1.071 19148 2380 1 10 . 1 1 41 41 GLU H H 41 8.478 8.478 8.712 -0.234 19148 2381 1 10 . 1 1 42 42 MET N N 42 121.000 121.000 120.510 0.490 19148 2382 1 10 . 1 1 42 42 MET HA H 42 5.148 5.148 4.979 0.169 19148 2383 1 10 . 1 1 42 42 MET C C 42 173.862 173.862 173.499 0.363 19148 2384 1 10 . 1 1 42 42 MET CA C 42 51.047 51.047 52.628 -1.581 19148 2385 1 10 . 1 1 42 42 MET CB C 42 34.914 34.914 36.445 -1.531 19148 2386 1 10 . 1 1 42 42 MET H H 42 8.926 8.926 9.020 -0.094 19148 2387 1 10 . 1 1 43 43 PRO HA H 43 4.978 4.978 4.680 0.298 19148 2388 1 10 . 1 1 43 43 PRO C C 43 176.006 176.006 175.304 0.702 19148 2389 1 10 . 1 1 43 43 PRO CA C 43 61.739 61.739 62.997 -1.258 19148 2390 1 10 . 1 1 43 43 PRO CB C 43 31.292 31.292 31.771 -0.479 19148 2391 1 10 . 1 1 44 44 PHE N N 44 119.990 119.990 123.504 -3.514 19148 2392 1 10 . 1 1 44 44 PHE HA H 44 4.786 4.786 4.746 0.040 19148 2393 1 10 . 1 1 44 44 PHE C C 44 175.216 175.216 174.581 0.635 19148 2394 1 10 . 1 1 44 44 PHE CA C 44 56.480 56.480 56.630 -0.150 19148 2395 1 10 . 1 1 44 44 PHE CB C 44 42.404 42.404 43.016 -0.612 19148 2396 1 10 . 1 1 44 44 PHE H H 44 8.135 8.135 8.053 0.082 19148 2397 1 10 . 1 1 45 45 SER N N 45 116.512 116.512 117.039 -0.527 19148 2398 1 10 . 1 1 45 45 SER HA H 45 4.596 4.596 4.696 -0.100 19148 2399 1 10 . 1 1 45 45 SER C C 45 175.742 175.742 175.003 0.739 19148 2400 1 10 . 1 1 45 45 SER CA C 45 58.044 58.044 57.662 0.382 19148 2401 1 10 . 1 1 45 45 SER CB C 45 63.970 63.970 64.243 -0.273 19148 2402 1 10 . 1 1 45 45 SER H H 45 8.483 8.483 8.706 -0.223 19148 2403 1 10 . 1 1 46 46 VAL N N 46 120.000 120.000 125.033 -5.033 19148 2404 1 10 . 1 1 46 46 VAL HA H 46 4.054 4.054 3.930 0.124 19148 2405 1 10 . 1 1 46 46 VAL C C 46 176.400 176.400 176.137 0.263 19148 2406 1 10 . 1 1 46 46 VAL CA C 46 63.888 63.888 64.034 -0.146 19148 2407 1 10 . 1 1 46 46 VAL CB C 46 31.950 31.950 31.982 -0.032 19148 2408 1 10 . 1 1 46 46 VAL H H 46 8.220 8.220 9.073 -0.853 19148 2409 1 10 . 1 1 47 47 GLU N N 47 120.013 120.013 118.297 1.716 19148 2410 1 10 . 1 1 47 47 GLU HA H 47 4.247 4.247 4.437 -0.190 19148 2411 1 10 . 1 1 47 47 GLU C C 47 176.006 176.006 175.323 0.683 19148 2412 1 10 . 1 1 47 47 GLU CA C 47 56.974 56.974 55.223 1.751 19148 2413 1 10 . 1 1 47 47 GLU CB C 47 29.481 29.481 29.519 -0.038 19148 2414 1 10 . 1 1 47 47 GLU H H 47 8.401 8.401 8.484 -0.083 19148 2415 1 10 . 1 1 48 48 ALA N N 48 122.458 122.458 122.541 -0.083 19148 2416 1 10 . 1 1 48 48 ALA HA H 48 4.353 4.353 4.589 -0.236 19148 2417 1 10 . 1 1 48 48 ALA C C 48 176.870 176.870 176.592 0.278 19148 2418 1 10 . 1 1 48 48 ALA CA C 48 52.199 52.199 50.895 1.304 19148 2419 1 10 . 1 1 48 48 ALA CB C 48 20.591 20.591 20.544 0.047 19148 2420 1 10 . 1 1 48 48 ALA H H 48 7.542 7.542 7.309 0.233 19148 2421 1 10 . 1 1 49 49 GLU N N 49 119.217 119.217 123.036 -3.819 19148 2422 1 10 . 1 1 49 49 GLU HA H 49 4.268 4.268 4.209 0.059 19148 2423 1 10 . 1 1 49 49 GLU C C 49 175.761 175.761 175.537 0.224 19148 2424 1 10 . 1 1 49 49 GLU CA C 49 55.903 55.903 55.928 -0.025 19148 2425 1 10 . 1 1 49 49 GLU CB C 49 30.140 30.140 28.649 1.491 19148 2426 1 10 . 1 1 49 49 GLU H H 49 8.061 8.061 8.585 -0.524 19148 2427 1 10 . 1 1 50 50 ILE N N 50 126.270 126.270 125.883 0.387 19148 2428 1 10 . 1 1 50 50 ILE HA H 50 3.908 3.908 3.796 0.112 19148 2429 1 10 . 1 1 50 50 ILE C C 50 174.483 174.483 174.413 0.070 19148 2430 1 10 . 1 1 50 50 ILE CA C 50 58.126 58.126 57.276 0.850 19148 2431 1 10 . 1 1 50 50 ILE CB C 50 38.371 38.371 36.215 2.155 19148 2432 1 10 . 1 1 50 50 ILE H H 50 8.152 8.152 7.585 0.567 19148 2433 1 10 . 1 1 52 52 PRO HA H 52 4.554 4.554 4.408 0.146 19148 2434 1 10 . 1 1 52 52 PRO C C 52 175.742 175.742 175.750 -0.008 19148 2435 1 10 . 1 1 52 52 PRO CA C 52 64.490 64.490 64.040 0.450 19148 2436 1 10 . 1 1 52 52 PRO CB C 52 32.330 32.330 31.917 0.413 19148 2437 1 10 . 1 1 53 53 GLU N N 53 114.593 114.593 113.269 1.324 19148 2438 1 10 . 1 1 53 53 GLU HA H 53 5.682 5.682 5.120 0.562 19148 2439 1 10 . 1 1 53 53 GLU C C 53 173.844 173.844 174.945 -1.101 19148 2440 1 10 . 1 1 53 53 GLU CA C 53 53.906 53.906 54.928 -1.022 19148 2441 1 10 . 1 1 53 53 GLU CB C 53 34.008 34.008 32.987 1.020 19148 2442 1 10 . 1 1 53 53 GLU H H 53 7.387 7.387 7.675 -0.288 19148 2443 1 10 . 1 1 54 54 TRP N N 54 122.688 122.688 123.760 -1.072 19148 2444 1 10 . 1 1 54 54 TRP HA H 54 4.301 4.301 4.841 -0.540 19148 2445 1 10 . 1 1 54 54 TRP C C 54 174.013 174.013 174.542 -0.529 19148 2446 1 10 . 1 1 54 54 TRP CA C 54 56.397 56.397 56.598 -0.201 19148 2447 1 10 . 1 1 54 54 TRP CB C 54 32.444 32.444 33.679 -1.235 19148 2448 1 10 . 1 1 54 54 TRP H H 54 9.030 9.030 9.328 -0.298 19148 2449 1 10 . 1 1 55 55 GLU N N 55 125.661 125.661 123.459 2.202 19148 2450 1 10 . 1 1 55 55 GLU HA H 55 4.063 4.063 4.398 -0.335 19148 2451 1 10 . 1 1 55 55 GLU C C 55 175.893 175.893 175.762 0.131 19148 2452 1 10 . 1 1 55 55 GLU CA C 55 57.056 57.056 57.151 -0.095 19148 2453 1 10 . 1 1 55 55 GLU CB C 55 30.386 30.386 30.400 -0.014 19148 2454 1 10 . 1 1 55 55 GLU H H 55 7.143 7.143 8.122 -0.979 19148 2455 1 10 . 1 1 56 56 CYS N N 56 126.844 126.844 127.955 -1.111 19148 2456 1 10 . 1 1 56 56 CYS HA H 56 4.300 4.300 4.456 -0.156 19148 2457 1 10 . 1 1 56 56 CYS C C 56 177.998 177.998 174.940 3.058 19148 2458 1 10 . 1 1 56 56 CYS CA C 56 60.925 60.925 58.853 2.072 19148 2459 1 10 . 1 1 56 56 CYS CB C 56 30.304 30.304 27.198 3.106 19148 2460 1 10 . 1 1 56 56 CYS H H 56 9.476 9.476 9.136 0.340 19148 2461 1 10 . 1 1 57 57 LYS N N 57 130.306 130.306 127.148 3.158 19148 2462 1 10 . 1 1 57 57 LYS HA H 57 3.874 3.874 4.145 -0.271 19148 2463 1 10 . 1 1 57 57 LYS C C 57 175.686 175.686 176.932 -1.246 19148 2464 1 10 . 1 1 57 57 LYS CA C 57 57.961 57.961 57.525 0.436 19148 2465 1 10 . 1 1 57 57 LYS CB C 57 33.020 33.020 32.083 0.937 19148 2466 1 10 . 1 1 57 57 LYS H H 57 5.816 5.816 8.408 -2.592 19148 2467 1 10 . 1 1 58 58 VAL N N 58 121.332 121.332 118.648 2.684 19148 2468 1 10 . 1 1 58 58 VAL HA H 58 3.707 3.707 3.708 -0.001 19148 2469 1 10 . 1 1 58 58 VAL C C 58 177.397 177.397 177.068 0.329 19148 2470 1 10 . 1 1 58 58 VAL CA C 58 64.958 64.958 64.996 -0.038 19148 2471 1 10 . 1 1 58 58 VAL CB C 58 32.436 32.436 32.475 -0.039 19148 2472 1 10 . 1 1 58 58 VAL H H 58 8.883 8.883 7.342 1.541 19148 2473 1 10 . 1 1 59 59 CYS N N 59 117.752 117.752 116.433 1.319 19148 2474 1 10 . 1 1 59 59 CYS HA H 59 5.061 5.061 4.768 0.293 19148 2475 1 10 . 1 1 59 59 CYS C C 59 176.795 176.795 174.784 2.011 19148 2476 1 10 . 1 1 59 59 CYS CA C 59 58.867 58.867 59.002 -0.135 19148 2477 1 10 . 1 1 59 59 CYS CB C 59 34.255 34.255 29.856 4.399 19148 2478 1 10 . 1 1 59 59 CYS H H 59 8.310 8.310 8.212 0.098 19148 2479 1 10 . 1 1 60 60 GLY N N 60 113.490 113.490 110.118 3.372 19148 2480 1 10 . 1 1 60 60 GLY C C 60 173.110 173.110 172.777 0.333 19148 2481 1 10 . 1 1 60 60 GLY CA C 60 46.355 46.355 44.982 1.373 19148 2482 1 10 . 1 1 60 60 GLY H H 60 8.078 8.078 7.907 0.171 19148 2483 1 10 . 1 1 61 61 ALA N N 61 124.940 124.940 121.750 3.190 19148 2484 1 10 . 1 1 61 61 ALA HA H 61 4.518 4.518 4.690 -0.172 19148 2485 1 10 . 1 1 61 61 ALA C C 61 175.724 175.724 175.038 0.686 19148 2486 1 10 . 1 1 61 61 ALA CA C 61 52.117 52.117 51.370 0.747 19148 2487 1 10 . 1 1 61 61 ALA CB C 61 21.167 21.167 21.489 -0.322 19148 2488 1 10 . 1 1 61 61 ALA H H 61 8.516 8.516 7.375 1.141 19148 2489 1 10 . 1 1 62 62 GLN N N 62 118.486 118.486 120.089 -1.603 19148 2490 1 10 . 1 1 62 62 GLN HA H 62 4.183 4.183 4.780 -0.597 19148 2491 1 10 . 1 1 62 62 GLN C C 62 174.915 174.915 175.034 -0.119 19148 2492 1 10 . 1 1 62 62 GLN CA C 62 57.632 57.632 54.875 2.757 19148 2493 1 10 . 1 1 62 62 GLN CB C 62 29.728 29.728 29.681 0.047 19148 2494 1 10 . 1 1 62 62 GLN H H 62 8.492 8.492 8.683 -0.191 19148 2495 1 10 . 1 1 63 63 ALA N N 63 129.224 129.224 129.750 -0.526 19148 2496 1 10 . 1 1 63 63 ALA HA H 63 4.926 4.926 4.642 0.284 19148 2497 1 10 . 1 1 63 63 ALA C C 63 175.197 175.197 175.977 -0.780 19148 2498 1 10 . 1 1 63 63 ALA CA C 63 50.306 50.306 51.431 -1.125 19148 2499 1 10 . 1 1 63 63 ALA CB C 63 21.744 21.744 21.100 0.644 19148 2500 1 10 . 1 1 63 63 ALA H H 63 8.863 8.863 9.241 -0.378 19148 2501 1 10 . 1 1 64 64 LEU N N 64 121.213 121.213 124.107 -2.894 19148 2502 1 10 . 1 1 64 64 LEU HA H 64 5.210 5.210 4.846 0.364 19148 2503 1 10 . 1 1 64 64 LEU C C 64 177.322 177.322 176.854 0.468 19148 2504 1 10 . 1 1 64 64 LEU CA C 64 53.928 53.928 53.500 0.428 19148 2505 1 10 . 1 1 64 64 LEU CB C 64 44.874 44.874 43.276 1.597 19148 2506 1 10 . 1 1 64 64 LEU H H 64 8.137 8.137 8.554 -0.417 19148 2507 1 10 . 1 1 65 65 LEU N N 65 123.951 123.951 126.178 -2.227 19148 2508 1 10 . 1 1 65 65 LEU HA H 65 3.655 3.655 3.860 -0.205 19148 2509 1 10 . 1 1 65 65 LEU C C 65 177.058 177.058 175.963 1.095 19148 2510 1 10 . 1 1 65 65 LEU CA C 65 55.739 55.739 54.940 0.799 19148 2511 1 10 . 1 1 65 65 LEU CB C 65 43.145 43.145 41.658 1.487 19148 2512 1 10 . 1 1 65 65 LEU H H 65 7.619 7.619 8.575 -0.956 19148 2513 1 10 . 1 1 66 66 VAL N N 66 127.050 127.050 123.459 3.591 19148 2514 1 10 . 1 1 66 66 VAL HA H 66 3.928 3.928 4.295 -0.367 19148 2515 1 10 . 1 1 66 66 VAL C C 66 175.536 175.536 175.056 0.480 19148 2516 1 10 . 1 1 66 66 VAL CA C 66 62.735 62.735 60.413 2.322 19148 2517 1 10 . 1 1 66 66 VAL CB C 66 32.280 32.280 32.814 -0.534 19148 2518 1 10 . 1 1 66 66 VAL H H 66 8.392 8.392 8.439 -0.047 19148 2519 1 10 . 1 1 67 67 ASP N N 67 125.550 125.550 122.978 2.572 19148 2520 1 10 . 1 1 67 67 ASP HA H 67 4.626 4.626 4.223 0.403 19148 2521 1 10 . 1 1 67 67 ASP C C 67 176.269 176.269 175.550 0.719 19148 2522 1 10 . 1 1 67 67 ASP CA C 67 53.928 53.928 55.408 -1.480 19148 2523 1 10 . 1 1 67 67 ASP CB C 67 41.663 41.663 40.308 1.355 19148 2524 1 10 . 1 1 67 67 ASP H H 67 8.278 8.278 8.852 -0.574 19148 2525 1 10 . 1 1 68 68 GLY N N 68 109.554 109.554 106.838 2.716 19148 2526 1 10 . 1 1 68 68 GLY C C 68 173.806 173.806 173.797 0.009 19148 2527 1 10 . 1 1 68 68 GLY CA C 68 45.532 45.532 45.270 0.262 19148 2528 1 10 . 1 1 68 68 GLY H H 68 8.303 8.303 7.929 0.374 19148 2529 1 10 . 1 1 69 69 ASP N N 69 120.592 120.592 120.021 0.571 19148 2530 1 10 . 1 1 69 69 ASP HA H 69 4.702 4.702 4.397 0.305 19148 2531 1 10 . 1 1 69 69 ASP C C 69 176.476 176.476 176.540 -0.064 19148 2532 1 10 . 1 1 69 69 ASP CA C 69 54.175 54.175 56.948 -2.773 19148 2533 1 10 . 1 1 69 69 ASP CB C 69 41.499 41.499 39.748 1.751 19148 2534 1 10 . 1 1 69 69 ASP H H 69 8.276 8.276 8.341 -0.065 19148 2535 1 10 . 1 1 70 70 GLY N N 70 108.866 108.866 106.700 2.166 19148 2536 1 10 . 1 1 70 70 GLY C C 70 172.001 172.001 172.032 -0.031 19148 2537 1 10 . 1 1 70 70 GLY CA C 70 44.791 44.791 45.615 -0.824 19148 2538 1 10 . 1 1 70 70 GLY H H 70 8.175 8.175 8.278 -0.103 19148 2539 1 10 . 1 1 71 71 PRO HA H 71 4.423 4.423 4.552 -0.129 19148 2540 1 10 . 1 1 71 71 PRO C C 71 177.171 177.171 175.428 1.743 19148 2541 1 10 . 1 1 71 71 PRO CA C 71 63.312 63.312 62.488 0.824 19148 2542 1 10 . 1 1 71 71 PRO CB C 71 32.197 32.197 32.708 -0.511 19148 2543 1 10 . 1 1 72 72 GLU N N 72 120.852 120.852 120.659 0.193 19148 2544 1 10 . 1 1 72 72 GLU HA H 72 4.256 4.256 4.356 -0.100 19148 2545 1 10 . 1 1 72 72 GLU C C 72 176.494 176.494 175.554 0.940 19148 2546 1 10 . 1 1 72 72 GLU CA C 72 56.727 56.727 55.026 1.701 19148 2547 1 10 . 1 1 72 72 GLU CB C 72 30.386 30.386 30.261 0.125 19148 2548 1 10 . 1 1 72 72 GLU H H 72 8.466 8.466 8.496 -0.030 19148 2549 1 10 . 1 1 73 73 GLU N N 73 122.189 122.189 124.800 -2.611 19148 2550 1 10 . 1 1 73 73 GLU HA H 73 1.984 1.984 3.973 -1.989 19148 2551 1 10 . 1 1 73 73 GLU C C 73 176.043 176.043 175.134 0.909 19148 2552 1 10 . 1 1 73 73 GLU CA C 73 56.644 56.644 57.458 -0.814 19148 2553 1 10 . 1 1 73 73 GLU CB C 73 30.386 30.386 28.475 1.911 19148 2554 1 10 . 1 1 73 73 GLU H H 73 8.292 8.292 9.188 -0.896 19148 2555 1 10 . 1 1 74 74 LYS N N 74 123.989 123.989 121.028 2.961 19148 2556 1 10 . 1 1 74 74 LYS HA H 74 4.369 4.369 4.364 0.005 19148 2557 1 10 . 1 1 74 74 LYS C C 74 175.423 175.423 175.860 -0.437 19148 2558 1 10 . 1 1 74 74 LYS CA C 74 56.397 56.397 56.614 -0.217 19148 2559 1 10 . 1 1 74 74 LYS CB C 74 32.938 32.938 33.611 -0.673 19148 2560 1 10 . 1 1 74 74 LYS H H 74 8.309 8.309 8.642 -0.333 19148 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 42 2.951 -0.262 2.975 19148 2 1 1 "Average Difference" HA 48 0.461 0.010 0.466 19148 3 1 1 "Average Difference" C 45 0.837 -0.205 0.820 19148 4 1 1 "Average Difference" CA 45 1.116 -0.294 1.089 19148 5 1 1 "Average Difference" CB 41 1.461 -0.528 1.380 19148 6 1 1 "Average Difference" HN 42 0.701 0.099 0.702 19148 7 1 2 "Average Difference" N 42 2.847 -0.118 2.879 19148 8 1 2 "Average Difference" HA 48 0.450 0.041 0.453 19148 9 1 2 "Average Difference" C 45 0.803 -0.300 0.754 19148 10 1 2 "Average Difference" CA 45 1.255 -0.378 1.211 19148 11 1 2 "Average Difference" CB 41 1.480 -0.436 1.432 19148 12 1 2 "Average Difference" HN 42 0.722 0.141 0.717 19148 13 1 3 "Average Difference" N 42 2.510 -0.009 2.540 19148 14 1 3 "Average Difference" HA 48 0.400 -0.002 0.404 19148 15 1 3 "Average Difference" C 45 0.925 -0.369 0.858 19148 16 1 3 "Average Difference" CA 45 0.936 -0.314 0.892 19148 17 1 3 "Average Difference" CB 41 1.361 -0.500 1.281 19148 18 1 3 "Average Difference" HN 42 0.692 0.086 0.695 19148 19 1 4 "Average Difference" N 42 2.683 -0.121 2.712 19148 20 1 4 "Average Difference" HA 48 0.419 -0.006 0.423 19148 21 1 4 "Average Difference" C 45 0.879 -0.277 0.843 19148 22 1 4 "Average Difference" CA 45 0.964 -0.348 0.909 19148 23 1 4 "Average Difference" CB 41 1.571 -0.611 1.465 19148 24 1 4 "Average Difference" HN 42 0.724 0.107 0.725 19148 25 1 5 "Average Difference" N 42 2.655 0.060 2.687 19148 26 1 5 "Average Difference" HA 48 0.430 -0.031 0.433 19148 27 1 5 "Average Difference" C 45 0.862 -0.300 0.817 19148 28 1 5 "Average Difference" CA 45 1.045 -0.219 1.033 19148 29 1 5 "Average Difference" CB 41 1.522 -0.636 1.400 19148 30 1 5 "Average Difference" HN 42 0.704 0.064 0.710 19148 31 1 6 "Average Difference" N 42 2.614 -0.564 2.583 19148 32 1 6 "Average Difference" HA 48 0.452 0.011 0.457 19148 33 1 6 "Average Difference" C 45 0.887 -0.243 0.863 19148 34 1 6 "Average Difference" CA 45 1.081 -0.284 1.055 19148 35 1 6 "Average Difference" CB 41 1.406 -0.476 1.339 19148 36 1 6 "Average Difference" HN 42 0.672 0.126 0.668 19148 37 1 7 "Average Difference" N 42 2.719 -0.176 2.746 19148 38 1 7 "Average Difference" HA 48 0.424 -0.006 0.428 19148 39 1 7 "Average Difference" C 45 0.843 -0.293 0.800 19148 40 1 7 "Average Difference" CA 45 1.030 -0.360 0.976 19148 41 1 7 "Average Difference" CB 41 1.426 -0.477 1.361 19148 42 1 7 "Average Difference" HN 42 0.735 0.040 0.742 19148 43 1 8 "Average Difference" N 42 2.813 -0.194 2.841 19148 44 1 8 "Average Difference" HA 48 0.411 -0.007 0.415 19148 45 1 8 "Average Difference" C 45 0.914 -0.330 0.862 19148 46 1 8 "Average Difference" CA 45 1.070 -0.240 1.055 19148 47 1 8 "Average Difference" CB 41 1.389 -0.455 1.329 19148 48 1 8 "Average Difference" HN 42 0.703 0.109 0.703 19148 49 1 9 "Average Difference" N 42 2.352 -0.591 2.304 19148 50 1 9 "Average Difference" HA 48 0.459 0.014 0.464 19148 51 1 9 "Average Difference" C 45 0.855 -0.278 0.818 19148 52 1 9 "Average Difference" CA 45 1.076 -0.273 1.053 19148 53 1 9 "Average Difference" CB 41 1.395 -0.466 1.331 19148 54 1 9 "Average Difference" HN 42 0.674 0.126 0.670 19148 55 1 10 "Average Difference" N 42 2.393 -0.100 2.420 19148 56 1 10 "Average Difference" HA 48 0.409 -0.021 0.413 19148 57 1 10 "Average Difference" C 45 0.984 -0.360 0.927 19148 58 1 10 "Average Difference" CA 45 1.124 -0.219 1.115 19148 59 1 10 "Average Difference" CB 41 1.316 -0.523 1.223 19148 60 1 10 "Average Difference" HN 42 0.687 0.146 0.679 19148 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 19148 _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 29 29 ALA N N 29 125.100 125.100 123.290 1.810 19148 2 1 . 1 1 29 29 ALA HA H 29 4.817 4.817 4.990 -0.173 19148 3 1 . 1 1 29 29 ALA C C 29 176.438 176.438 175.025 1.413 19148 4 1 . 1 1 29 29 ALA CA C 29 51.870 51.870 51.041 0.829 19148 5 1 . 1 1 29 29 ALA CB C 29 20.920 20.920 22.497 -1.577 19148 6 1 . 1 1 29 29 ALA H H 29 8.267 8.267 7.877 0.390 19148 7 1 . 1 1 30 30 VAL N N 30 118.800 118.800 116.960 1.840 19148 8 1 . 1 1 30 30 VAL HA H 30 4.350 4.350 4.337 0.013 19148 9 1 . 1 1 30 30 VAL C C 30 173.844 173.844 174.584 -0.740 19148 10 1 . 1 1 30 30 VAL CA C 30 60.842 60.842 60.562 0.280 19148 11 1 . 1 1 30 30 VAL CB C 30 33.926 33.926 33.442 0.484 19148 12 1 . 1 1 30 30 VAL H H 30 8.363 8.363 8.153 0.210 19148 13 1 . 1 1 31 31 GLU N N 31 122.726 122.726 123.853 -1.127 19148 14 1 . 1 1 31 31 GLU HA H 31 5.020 5.020 4.993 0.027 19148 15 1 . 1 1 31 31 GLU C C 31 173.712 173.712 174.939 -1.228 19148 16 1 . 1 1 31 31 GLU CA C 31 54.916 54.916 54.472 0.444 19148 17 1 . 1 1 31 31 GLU CB C 31 33.679 33.679 32.654 1.025 19148 18 1 . 1 1 31 31 GLU H H 31 8.278 8.278 8.482 -0.204 19148 19 1 . 1 1 32 32 TYR N N 32 120.248 120.248 124.225 -3.977 19148 20 1 . 1 1 32 32 TYR HA H 32 4.731 4.731 4.888 -0.157 19148 21 1 . 1 1 32 32 TYR C C 32 174.389 174.389 173.863 0.526 19148 22 1 . 1 1 32 32 TYR CA C 32 57.056 57.056 56.208 0.848 19148 23 1 . 1 1 32 32 TYR CB C 32 43.063 43.063 42.005 1.058 19148 24 1 . 1 1 32 32 TYR H H 32 8.243 8.243 8.968 -0.726 19148 25 1 . 1 1 33 33 ALA N N 33 119.054 119.054 124.192 -5.138 19148 26 1 . 1 1 33 33 ALA HA H 33 5.734 5.734 5.320 0.414 19148 27 1 . 1 1 33 33 ALA C C 33 177.886 177.886 176.211 1.675 19148 28 1 . 1 1 33 33 ALA CA C 33 50.635 50.635 49.796 0.839 19148 29 1 . 1 1 33 33 ALA CB C 33 22.649 22.649 21.304 1.345 19148 30 1 . 1 1 33 33 ALA H H 33 8.613 8.613 9.148 -0.535 19148 31 1 . 1 1 34 34 CYS N N 34 124.578 124.578 123.297 1.281 19148 32 1 . 1 1 34 34 CYS HA H 34 5.558 5.558 5.065 0.493 19148 33 1 . 1 1 34 34 CYS C C 34 177.472 177.472 177.004 0.468 19148 34 1 . 1 1 34 34 CYS CA C 34 56.727 56.727 56.662 0.066 19148 35 1 . 1 1 34 34 CYS CB C 34 32.362 32.362 29.954 2.408 19148 36 1 . 1 1 34 34 CYS H H 34 9.090 9.090 9.092 -0.002 19148 37 1 . 1 1 35 35 GLU N N 35 121.981 121.981 120.913 1.068 19148 38 1 . 1 1 35 35 GLU HA H 35 4.202 4.202 4.147 0.055 19148 39 1 . 1 1 35 35 GLU C C 35 177.190 177.190 177.125 0.065 19148 40 1 . 1 1 35 35 GLU CA C 35 59.031 59.031 58.692 0.339 19148 41 1 . 1 1 35 35 GLU CB C 35 29.893 29.893 29.145 0.748 19148 42 1 . 1 1 35 35 GLU H H 35 8.865 8.865 8.928 -0.062 19148 43 1 . 1 1 36 36 LYS N N 36 121.258 121.258 118.177 3.081 19148 44 1 . 1 1 36 36 LYS HA H 36 4.273 4.273 4.339 -0.066 19148 45 1 . 1 1 36 36 LYS C C 36 176.551 176.551 176.982 -0.431 19148 46 1 . 1 1 36 36 LYS CA C 36 55.986 55.986 55.988 -0.002 19148 47 1 . 1 1 36 36 LYS CB C 36 32.115 32.115 32.240 -0.125 19148 48 1 . 1 1 36 36 LYS H H 36 9.341 9.341 7.820 1.521 19148 49 1 . 1 1 37 37 GLY N N 37 107.582 107.582 107.419 0.163 19148 50 1 . 1 1 37 37 GLY C C 37 174.746 174.746 174.057 0.689 19148 51 1 . 1 1 37 37 GLY CA C 37 45.367 45.367 45.107 0.260 19148 52 1 . 1 1 37 37 GLY H H 37 7.902 7.902 7.830 0.071 19148 53 1 . 1 1 38 38 HIS N N 38 122.025 122.025 120.516 1.509 19148 54 1 . 1 1 38 38 HIS HA H 38 4.905 4.905 4.806 0.099 19148 55 1 . 1 1 38 38 HIS C C 38 174.351 174.351 174.150 0.201 19148 56 1 . 1 1 38 38 HIS CA C 38 56.644 56.644 55.486 1.158 19148 57 1 . 1 1 38 38 HIS CB C 38 30.880 30.880 31.353 -0.473 19148 58 1 . 1 1 38 38 HIS H H 38 7.812 7.812 8.067 -0.255 19148 59 1 . 1 1 39 39 ARG N N 39 122.401 122.401 124.015 -1.614 19148 60 1 . 1 1 39 39 ARG HA H 39 5.717 5.717 5.527 0.190 19148 61 1 . 1 1 39 39 ARG C C 39 175.573 175.573 175.552 0.021 19148 62 1 . 1 1 39 39 ARG CA C 39 54.863 54.863 55.069 -0.206 19148 63 1 . 1 1 39 39 ARG CB C 39 33.597 33.597 32.844 0.753 19148 64 1 . 1 1 39 39 ARG H H 39 8.473 8.473 8.625 -0.152 19148 65 1 . 1 1 40 40 PHE N N 40 119.867 119.867 119.013 0.854 19148 66 1 . 1 1 40 40 PHE HA H 40 5.104 5.104 5.051 0.053 19148 67 1 . 1 1 40 40 PHE C C 40 171.945 171.945 173.337 -1.392 19148 68 1 . 1 1 40 40 PHE CA C 40 55.903 55.903 56.042 -0.139 19148 69 1 . 1 1 40 40 PHE CB C 40 40.346 40.346 42.179 -1.833 19148 70 1 . 1 1 40 40 PHE H H 40 8.531 8.531 8.903 -0.372 19148 71 1 . 1 1 41 41 GLU N N 41 118.749 118.749 121.793 -3.044 19148 72 1 . 1 1 41 41 GLU HA H 41 5.361 5.361 5.469 -0.108 19148 73 1 . 1 1 41 41 GLU C C 41 176.532 176.532 175.656 0.876 19148 74 1 . 1 1 41 41 GLU CA C 41 54.175 54.175 54.823 -0.648 19148 75 1 . 1 1 41 41 GLU CB C 41 33.103 33.103 32.106 0.997 19148 76 1 . 1 1 41 41 GLU H H 41 8.478 8.478 8.759 -0.281 19148 77 1 . 1 1 42 42 MET N N 42 121.000 121.000 120.422 0.578 19148 78 1 . 1 1 42 42 MET HA H 42 5.148 5.148 5.013 0.135 19148 79 1 . 1 1 42 42 MET C C 42 173.862 173.862 173.559 0.303 19148 80 1 . 1 1 42 42 MET CA C 42 51.047 51.047 52.486 -1.439 19148 81 1 . 1 1 42 42 MET CB C 42 34.914 34.914 36.340 -1.426 19148 82 1 . 1 1 42 42 MET H H 42 8.926 8.926 8.788 0.138 19148 83 1 . 1 1 43 43 PRO HA H 43 4.978 4.978 4.696 0.282 19148 84 1 . 1 1 43 43 PRO C C 43 176.006 176.006 175.435 0.571 19148 85 1 . 1 1 43 43 PRO CA C 43 61.739 61.739 62.864 -1.125 19148 86 1 . 1 1 43 43 PRO CB C 43 31.292 31.292 31.721 -0.429 19148 87 1 . 1 1 44 44 PHE N N 44 119.990 119.990 123.880 -3.890 19148 88 1 . 1 1 44 44 PHE HA H 44 4.786 4.786 4.714 0.072 19148 89 1 . 1 1 44 44 PHE C C 44 175.216 175.216 174.797 0.419 19148 90 1 . 1 1 44 44 PHE CA C 44 56.480 56.480 56.493 -0.013 19148 91 1 . 1 1 44 44 PHE CB C 44 42.404 42.404 42.844 -0.441 19148 92 1 . 1 1 44 44 PHE H H 44 8.135 8.135 8.624 -0.489 19148 93 1 . 1 1 45 45 SER N N 45 116.512 116.512 116.207 0.305 19148 94 1 . 1 1 45 45 SER HA H 45 4.596 4.596 4.609 -0.013 19148 95 1 . 1 1 45 45 SER C C 45 175.742 175.742 175.413 0.329 19148 96 1 . 1 1 45 45 SER CA C 45 58.044 58.044 57.246 0.798 19148 97 1 . 1 1 45 45 SER CB C 45 63.970 63.970 64.151 -0.181 19148 98 1 . 1 1 45 45 SER H H 45 8.483 8.483 8.584 -0.101 19148 99 1 . 1 1 46 46 VAL N N 46 120.000 120.000 126.238 -6.238 19148 100 1 . 1 1 46 46 VAL HA H 46 4.054 4.054 4.013 0.041 19148 101 1 . 1 1 46 46 VAL C C 46 176.400 176.400 175.869 0.531 19148 102 1 . 1 1 46 46 VAL CA C 46 63.888 63.888 63.704 0.184 19148 103 1 . 1 1 46 46 VAL CB C 46 31.950 31.950 32.038 -0.088 19148 104 1 . 1 1 46 46 VAL H H 46 8.220 8.220 8.966 -0.746 19148 105 1 . 1 1 47 47 GLU N N 47 120.013 120.013 118.743 1.270 19148 106 1 . 1 1 47 47 GLU HA H 47 4.247 4.247 4.442 -0.195 19148 107 1 . 1 1 47 47 GLU C C 47 176.006 176.006 175.228 0.778 19148 108 1 . 1 1 47 47 GLU CA C 47 56.974 56.974 55.206 1.768 19148 109 1 . 1 1 47 47 GLU CB C 47 29.481 29.481 29.676 -0.195 19148 110 1 . 1 1 47 47 GLU H H 47 8.401 8.401 7.973 0.428 19148 111 1 . 1 1 48 48 ALA N N 48 122.458 122.458 122.804 -0.346 19148 112 1 . 1 1 48 48 ALA HA H 48 4.353 4.353 4.606 -0.253 19148 113 1 . 1 1 48 48 ALA C C 48 176.870 176.870 176.427 0.443 19148 114 1 . 1 1 48 48 ALA CA C 48 52.199 52.199 50.988 1.211 19148 115 1 . 1 1 48 48 ALA CB C 48 20.591 20.591 20.797 -0.206 19148 116 1 . 1 1 48 48 ALA H H 48 7.542 7.542 7.346 0.196 19148 117 1 . 1 1 49 49 GLU N N 49 119.217 119.217 121.388 -2.171 19148 118 1 . 1 1 49 49 GLU HA H 49 4.268 4.268 4.296 -0.028 19148 119 1 . 1 1 49 49 GLU C C 49 175.761 175.761 175.649 0.112 19148 120 1 . 1 1 49 49 GLU CA C 49 55.903 55.903 55.497 0.406 19148 121 1 . 1 1 49 49 GLU CB C 49 30.140 30.140 28.791 1.349 19148 122 1 . 1 1 49 49 GLU H H 49 8.061 8.061 8.603 -0.542 19148 123 1 . 1 1 50 50 ILE N N 50 126.270 126.270 126.270 0.000 19148 124 1 . 1 1 50 50 ILE HA H 50 3.908 3.908 3.816 0.092 19148 125 1 . 1 1 50 50 ILE C C 50 174.483 174.483 174.539 -0.056 19148 126 1 . 1 1 50 50 ILE CA C 50 58.126 58.126 57.255 0.871 19148 127 1 . 1 1 50 50 ILE CB C 50 38.371 38.371 36.205 2.165 19148 128 1 . 1 1 50 50 ILE H H 50 8.152 8.152 7.734 0.418 19148 129 1 . 1 1 52 52 PRO HA H 52 4.554 4.554 4.311 0.243 19148 130 1 . 1 1 52 52 PRO C C 52 175.742 175.742 175.760 -0.018 19148 131 1 . 1 1 52 52 PRO CA C 52 64.490 64.490 64.340 0.150 19148 132 1 . 1 1 52 52 PRO CB C 52 32.330 32.330 32.120 0.210 19148 133 1 . 1 1 53 53 GLU N N 53 114.593 114.593 113.305 1.288 19148 134 1 . 1 1 53 53 GLU HA H 53 5.682 5.682 4.999 0.683 19148 135 1 . 1 1 53 53 GLU C C 53 173.844 173.844 174.544 -0.700 19148 136 1 . 1 1 53 53 GLU CA C 53 53.906 53.906 54.794 -0.888 19148 137 1 . 1 1 53 53 GLU CB C 53 34.008 34.008 32.521 1.486 19148 138 1 . 1 1 53 53 GLU H H 53 7.387 7.387 7.632 -0.245 19148 139 1 . 1 1 54 54 TRP N N 54 122.688 122.688 122.837 -0.149 19148 140 1 . 1 1 54 54 TRP HA H 54 4.301 4.301 4.879 -0.578 19148 141 1 . 1 1 54 54 TRP C C 54 174.013 174.013 174.232 -0.219 19148 142 1 . 1 1 54 54 TRP CA C 54 56.397 56.397 56.320 0.077 19148 143 1 . 1 1 54 54 TRP CB C 54 32.444 32.444 33.190 -0.746 19148 144 1 . 1 1 54 54 TRP H H 54 9.030 9.030 9.324 -0.294 19148 145 1 . 1 1 55 55 GLU N N 55 125.661 125.661 123.332 2.329 19148 146 1 . 1 1 55 55 GLU HA H 55 4.063 4.063 4.267 -0.204 19148 147 1 . 1 1 55 55 GLU C C 55 175.893 175.893 175.567 0.326 19148 148 1 . 1 1 55 55 GLU CA C 55 57.056 57.056 57.357 -0.301 19148 149 1 . 1 1 55 55 GLU CB C 55 30.386 30.386 30.557 -0.171 19148 150 1 . 1 1 55 55 GLU H H 55 7.143 7.143 7.978 -0.835 19148 151 1 . 1 1 56 56 CYS N N 56 126.844 126.844 126.976 -0.132 19148 152 1 . 1 1 56 56 CYS HA H 56 4.300 4.300 4.607 -0.307 19148 153 1 . 1 1 56 56 CYS C C 56 177.998 177.998 175.412 2.586 19148 154 1 . 1 1 56 56 CYS CA C 56 60.925 60.925 58.534 2.391 19148 155 1 . 1 1 56 56 CYS CB C 56 30.304 30.304 26.742 3.562 19148 156 1 . 1 1 56 56 CYS H H 56 9.476 9.476 9.031 0.445 19148 157 1 . 1 1 57 57 LYS N N 57 130.306 130.306 127.841 2.465 19148 158 1 . 1 1 57 57 LYS HA H 57 3.874 3.874 4.172 -0.298 19148 159 1 . 1 1 57 57 LYS C C 57 175.686 175.686 176.472 -0.786 19148 160 1 . 1 1 57 57 LYS CA C 57 57.961 57.961 57.398 0.564 19148 161 1 . 1 1 57 57 LYS CB C 57 33.020 33.020 31.889 1.131 19148 162 1 . 1 1 57 57 LYS H H 57 5.816 5.816 8.439 -2.623 19148 163 1 . 1 1 58 58 VAL N N 58 121.332 121.332 118.408 2.924 19148 164 1 . 1 1 58 58 VAL HA H 58 3.707 3.707 3.739 -0.032 19148 165 1 . 1 1 58 58 VAL C C 58 177.397 177.397 176.864 0.533 19148 166 1 . 1 1 58 58 VAL CA C 58 64.958 64.958 64.805 0.153 19148 167 1 . 1 1 58 58 VAL CB C 58 32.436 32.436 32.369 0.067 19148 168 1 . 1 1 58 58 VAL H H 58 8.883 8.883 7.332 1.551 19148 169 1 . 1 1 59 59 CYS N N 59 117.752 117.752 116.530 1.222 19148 170 1 . 1 1 59 59 CYS HA H 59 5.061 5.061 4.684 0.377 19148 171 1 . 1 1 59 59 CYS C C 59 176.795 176.795 174.886 1.909 19148 172 1 . 1 1 59 59 CYS CA C 59 58.867 58.867 58.836 0.031 19148 173 1 . 1 1 59 59 CYS CB C 59 34.255 34.255 29.679 4.576 19148 174 1 . 1 1 59 59 CYS H H 59 8.310 8.310 8.079 0.231 19148 175 1 . 1 1 60 60 GLY N N 60 113.490 113.490 110.390 3.100 19148 176 1 . 1 1 60 60 GLY C C 60 173.110 173.110 172.818 0.292 19148 177 1 . 1 1 60 60 GLY CA C 60 46.355 46.355 45.049 1.306 19148 178 1 . 1 1 60 60 GLY H H 60 8.078 8.078 7.782 0.296 19148 179 1 . 1 1 61 61 ALA N N 61 124.940 124.940 122.153 2.787 19148 180 1 . 1 1 61 61 ALA HA H 61 4.518 4.518 4.650 -0.133 19148 181 1 . 1 1 61 61 ALA C C 61 175.724 175.724 174.890 0.834 19148 182 1 . 1 1 61 61 ALA CA C 61 52.117 52.117 51.715 0.402 19148 183 1 . 1 1 61 61 ALA CB C 61 21.167 21.167 21.004 0.163 19148 184 1 . 1 1 61 61 ALA H H 61 8.516 8.516 7.519 0.997 19148 185 1 . 1 1 62 62 GLN N N 62 118.486 118.486 119.374 -0.888 19148 186 1 . 1 1 62 62 GLN HA H 62 4.183 4.183 4.635 -0.452 19148 187 1 . 1 1 62 62 GLN C C 62 174.915 174.915 174.506 0.409 19148 188 1 . 1 1 62 62 GLN CA C 62 57.632 57.632 54.855 2.777 19148 189 1 . 1 1 62 62 GLN CB C 62 29.728 29.728 30.880 -1.152 19148 190 1 . 1 1 62 62 GLN H H 62 8.492 8.492 8.705 -0.213 19148 191 1 . 1 1 63 63 ALA N N 63 129.224 129.224 128.127 1.097 19148 192 1 . 1 1 63 63 ALA HA H 63 4.926 4.926 4.978 -0.052 19148 193 1 . 1 1 63 63 ALA C C 63 175.197 175.197 175.453 -0.256 19148 194 1 . 1 1 63 63 ALA CA C 63 50.306 50.306 50.467 -0.162 19148 195 1 . 1 1 63 63 ALA CB C 63 21.744 21.744 21.987 -0.243 19148 196 1 . 1 1 63 63 ALA H H 63 8.863 8.863 9.338 -0.475 19148 197 1 . 1 1 64 64 LEU N N 64 121.213 121.213 123.759 -2.546 19148 198 1 . 1 1 64 64 LEU HA H 64 5.210 5.210 4.864 0.346 19148 199 1 . 1 1 64 64 LEU C C 64 177.322 177.322 176.506 0.816 19148 200 1 . 1 1 64 64 LEU CA C 64 53.928 53.928 53.538 0.390 19148 201 1 . 1 1 64 64 LEU CB C 64 44.874 44.874 43.736 1.138 19148 202 1 . 1 1 64 64 LEU H H 64 8.137 8.137 8.979 -0.842 19148 203 1 . 1 1 65 65 LEU N N 65 123.951 123.951 126.319 -2.368 19148 204 1 . 1 1 65 65 LEU HA H 65 3.655 3.655 4.116 -0.461 19148 205 1 . 1 1 65 65 LEU C C 65 177.058 177.058 176.008 1.050 19148 206 1 . 1 1 65 65 LEU CA C 65 55.739 55.739 54.388 1.351 19148 207 1 . 1 1 65 65 LEU CB C 65 43.145 43.145 41.538 1.608 19148 208 1 . 1 1 65 65 LEU H H 65 7.619 7.619 8.586 -0.967 19148 209 1 . 1 1 66 66 VAL N N 66 127.050 127.050 123.789 3.261 19148 210 1 . 1 1 66 66 VAL HA H 66 3.928 3.928 4.255 -0.327 19148 211 1 . 1 1 66 66 VAL C C 66 175.536 175.536 175.182 0.353 19148 212 1 . 1 1 66 66 VAL CA C 66 62.735 62.735 60.769 1.966 19148 213 1 . 1 1 66 66 VAL CB C 66 32.280 32.280 32.846 -0.565 19148 214 1 . 1 1 66 66 VAL H H 66 8.392 8.392 8.438 -0.046 19148 215 1 . 1 1 67 67 ASP N N 67 125.550 125.550 124.326 1.224 19148 216 1 . 1 1 67 67 ASP HA H 67 4.626 4.626 4.263 0.363 19148 217 1 . 1 1 67 67 ASP C C 67 176.269 176.269 175.382 0.887 19148 218 1 . 1 1 67 67 ASP CA C 67 53.928 53.928 55.348 -1.420 19148 219 1 . 1 1 67 67 ASP CB C 67 41.663 41.663 40.255 1.408 19148 220 1 . 1 1 67 67 ASP H H 67 8.278 8.278 8.815 -0.537 19148 221 1 . 1 1 68 68 GLY N N 68 109.554 109.554 107.254 2.301 19148 222 1 . 1 1 68 68 GLY C C 68 173.806 173.806 173.307 0.499 19148 223 1 . 1 1 68 68 GLY CA C 68 45.532 45.532 44.818 0.714 19148 224 1 . 1 1 68 68 GLY H H 68 8.303 8.303 8.074 0.229 19148 225 1 . 1 1 69 69 ASP N N 69 120.592 120.592 120.774 -0.182 19148 226 1 . 1 1 69 69 ASP HA H 69 4.702 4.702 4.397 0.305 19148 227 1 . 1 1 69 69 ASP C C 69 176.476 176.476 176.206 0.270 19148 228 1 . 1 1 69 69 ASP CA C 69 54.175 54.175 55.085 -0.910 19148 229 1 . 1 1 69 69 ASP CB C 69 41.499 41.499 40.339 1.160 19148 230 1 . 1 1 69 69 ASP H H 69 8.276 8.276 8.228 0.048 19148 231 1 . 1 1 70 70 GLY N N 70 108.866 108.866 107.497 1.369 19148 232 1 . 1 1 70 70 GLY C C 70 172.001 172.001 172.075 -0.074 19148 233 1 . 1 1 70 70 GLY CA C 70 44.791 44.791 45.172 -0.382 19148 234 1 . 1 1 70 70 GLY H H 70 8.175 8.175 8.022 0.153 19148 235 1 . 1 1 71 71 PRO HA H 71 4.423 4.423 4.754 -0.331 19148 236 1 . 1 1 71 71 PRO C C 71 177.171 177.171 176.665 0.506 19148 237 1 . 1 1 71 71 PRO CA C 71 63.312 63.312 62.513 0.798 19148 238 1 . 1 1 71 71 PRO CB C 71 32.197 32.197 32.214 -0.017 19148 239 1 . 1 1 72 72 GLU N N 72 120.852 120.852 123.461 -2.609 19148 240 1 . 1 1 72 72 GLU HA H 72 4.256 4.256 4.040 0.216 19148 241 1 . 1 1 72 72 GLU C C 72 176.494 176.494 177.171 -0.677 19148 242 1 . 1 1 72 72 GLU CA C 72 56.727 56.727 58.011 -1.284 19148 243 1 . 1 1 72 72 GLU CB C 72 30.386 30.386 29.842 0.544 19148 244 1 . 1 1 72 72 GLU H H 72 8.466 8.466 8.599 -0.133 19148 245 1 . 1 1 73 73 GLU N N 73 122.189 122.189 120.107 2.082 19148 246 1 . 1 1 73 73 GLU HA H 73 1.984 1.984 4.104 -2.120 19148 247 1 . 1 1 73 73 GLU C C 73 176.043 176.043 175.749 0.294 19148 248 1 . 1 1 73 73 GLU CA C 73 56.644 56.644 57.256 -0.612 19148 249 1 . 1 1 73 73 GLU CB C 73 30.386 30.386 28.724 1.662 19148 250 1 . 1 1 73 73 GLU H H 73 8.292 8.292 8.610 -0.318 19148 251 1 . 1 1 74 74 LYS N N 74 123.989 123.989 120.066 3.923 19148 252 1 . 1 1 74 74 LYS HA H 74 4.369 4.369 4.210 0.159 19148 253 1 . 1 1 74 74 LYS C C 74 175.423 175.423 176.535 -1.112 19148 254 1 . 1 1 74 74 LYS CA C 74 56.397 56.397 57.064 -0.667 19148 255 1 . 1 1 74 74 LYS CB C 74 32.938 32.938 33.180 -0.242 19148 256 1 . 1 1 74 74 LYS H H 74 8.309 8.309 8.017 0.292 19148 stop_ save_