data_18220 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18220 _Entry.PDB_ID 2LOP 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 18220 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 11 11 ASP N N 2 120.536 120.536 122.076 -1.540 18220 2 1 1 . 1 1 11 11 ASP CA C 2 55.918 55.918 54.564 1.354 18220 3 1 1 . 1 1 11 11 ASP CB C 2 37.959 37.959 41.583 -3.624 18220 4 1 1 . 1 1 11 11 ASP H H 2 7.863 7.863 8.394 -0.531 18220 5 1 1 . 1 1 12 12 LEU N N 3 121.414 121.414 124.557 -3.143 18220 6 1 1 . 1 1 12 12 LEU C C 3 176.162 176.162 176.611 -0.449 18220 7 1 1 . 1 1 12 12 LEU CA C 3 57.600 57.600 54.795 2.805 18220 8 1 1 . 1 1 12 12 LEU CB C 3 41.657 41.657 41.358 0.298 18220 9 1 1 . 1 1 12 12 LEU H H 3 8.285 8.285 8.351 -0.066 18220 10 1 1 . 1 1 13 13 ILE N N 4 118.854 118.854 120.170 -1.316 18220 11 1 1 . 1 1 13 13 ILE HA H 4 3.740 3.740 4.646 -0.906 18220 12 1 1 . 1 1 13 13 ILE C C 4 175.228 175.228 176.198 -0.970 18220 13 1 1 . 1 1 13 13 ILE CA C 4 64.500 64.500 59.515 4.985 18220 14 1 1 . 1 1 13 13 ILE CB C 4 37.102 37.102 39.883 -2.781 18220 15 1 1 . 1 1 13 13 ILE H H 4 8.031 8.031 7.749 0.282 18220 16 1 1 . 1 1 14 14 GLY N N 5 107.478 107.478 108.156 -0.678 18220 17 1 1 . 1 1 14 14 GLY C C 5 174.424 174.424 174.874 -0.450 18220 18 1 1 . 1 1 14 14 GLY CA C 5 47.059 47.059 45.221 1.838 18220 19 1 1 . 1 1 14 14 GLY H H 5 8.148 8.148 8.275 -0.127 18220 20 1 1 . 1 1 15 15 PHE N N 6 122.774 122.774 126.501 -3.727 18220 21 1 1 . 1 1 15 15 PHE HA H 6 4.480 4.480 4.431 0.049 18220 22 1 1 . 1 1 15 15 PHE C C 6 175.113 175.113 176.889 -1.776 18220 23 1 1 . 1 1 15 15 PHE CA C 6 60.017 60.017 60.200 -0.183 18220 24 1 1 . 1 1 15 15 PHE CB C 6 38.774 38.774 39.717 -0.943 18220 25 1 1 . 1 1 15 15 PHE H H 6 8.194 8.194 8.620 -0.426 18220 26 1 1 . 1 1 16 16 GLY N N 7 107.938 107.938 108.025 -0.087 18220 27 1 1 . 1 1 16 16 GLY C C 7 171.838 171.838 175.754 -3.916 18220 28 1 1 . 1 1 16 16 GLY CA C 7 47.100 47.100 47.496 -0.396 18220 29 1 1 . 1 1 16 16 GLY H H 7 8.697 8.697 8.672 0.025 18220 30 1 1 . 1 1 17 17 TYR N N 8 121.785 121.785 122.388 -0.603 18220 31 1 1 . 1 1 17 17 TYR HA H 8 4.150 4.150 4.058 0.092 18220 32 1 1 . 1 1 17 17 TYR C C 8 174.180 174.180 177.880 -3.700 18220 33 1 1 . 1 1 17 17 TYR CA C 8 61.300 61.300 60.581 0.719 18220 34 1 1 . 1 1 17 17 TYR CB C 8 37.959 37.959 37.952 0.007 18220 35 1 1 . 1 1 17 17 TYR H H 8 8.710 8.710 8.355 0.355 18220 36 1 1 . 1 1 18 18 ALA N N 9 120.233 120.233 120.294 -0.061 18220 37 1 1 . 1 1 18 18 ALA HA H 9 3.950 3.950 3.864 0.086 18220 38 1 1 . 1 1 18 18 ALA C C 9 178.059 178.059 178.844 -0.785 18220 39 1 1 . 1 1 18 18 ALA CA C 9 54.872 54.872 54.951 -0.079 18220 40 1 1 . 1 1 18 18 ALA CB C 9 17.562 17.562 17.646 -0.084 18220 41 1 1 . 1 1 18 18 ALA H H 9 7.843 7.843 8.129 -0.286 18220 42 1 1 . 1 1 19 19 ALA N N 10 121.797 121.797 121.295 0.502 18220 43 1 1 . 1 1 19 19 ALA HA H 10 3.950 3.950 3.996 -0.046 18220 44 1 1 . 1 1 19 19 ALA C C 10 176.191 176.191 179.541 -3.350 18220 45 1 1 . 1 1 19 19 ALA CA C 10 54.600 54.600 54.364 0.236 18220 46 1 1 . 1 1 19 19 ALA CB C 10 17.562 17.562 17.771 -0.209 18220 47 1 1 . 1 1 19 19 ALA H H 10 8.212 8.212 7.315 0.897 18220 48 1 1 . 1 1 20 20 LEU N N 11 119.442 119.442 121.105 -1.663 18220 49 1 1 . 1 1 20 20 LEU HA H 11 3.937 3.937 4.001 -0.064 18220 50 1 1 . 1 1 20 20 LEU C C 11 176.694 176.694 178.808 -2.114 18220 51 1 1 . 1 1 20 20 LEU CA C 11 57.800 57.800 57.702 0.098 18220 52 1 1 . 1 1 20 20 LEU CB C 11 41.222 41.222 40.780 0.442 18220 53 1 1 . 1 1 20 20 LEU H H 11 8.065 8.065 7.837 0.228 18220 54 1 1 . 1 1 21 21 VAL N N 12 118.323 118.323 119.361 -1.038 18220 55 1 1 . 1 1 21 21 VAL HA H 12 3.640 3.640 3.586 0.054 18220 56 1 1 . 1 1 21 21 VAL C C 12 176.536 176.536 178.547 -2.011 18220 57 1 1 . 1 1 21 21 VAL CA C 12 65.400 65.400 66.692 -1.292 18220 58 1 1 . 1 1 21 21 VAL CB C 12 31.135 31.135 31.136 -0.000 18220 59 1 1 . 1 1 21 21 VAL H H 12 8.051 8.051 8.324 -0.273 18220 60 1 1 . 1 1 22 22 THR N N 13 118.298 118.298 118.007 0.291 18220 61 1 1 . 1 1 22 22 THR HA H 13 4.660 4.660 4.088 0.572 18220 62 1 1 . 1 1 22 22 THR C C 13 173.734 173.734 176.923 -3.189 18220 63 1 1 . 1 1 22 22 THR CA C 13 66.300 66.300 67.279 -0.979 18220 64 1 1 . 1 1 22 22 THR CB C 13 67.775 67.775 68.541 -0.766 18220 65 1 1 . 1 1 22 22 THR H H 13 7.944 7.944 8.091 -0.147 18220 66 1 1 . 1 1 23 23 PHE N N 14 121.328 121.328 121.074 0.254 18220 67 1 1 . 1 1 23 23 PHE HA H 14 4.340 4.340 4.115 0.225 18220 68 1 1 . 1 1 23 23 PHE C C 14 174.783 174.783 177.865 -3.082 18220 69 1 1 . 1 1 23 23 PHE CA C 14 60.500 60.500 61.541 -1.040 18220 70 1 1 . 1 1 23 23 PHE CB C 14 38.626 38.626 38.391 0.235 18220 71 1 1 . 1 1 23 23 PHE H H 14 8.567 8.567 8.395 0.172 18220 72 1 1 . 1 1 24 24 GLY N N 15 106.871 106.871 106.176 0.695 18220 73 1 1 . 1 1 24 24 GLY C C 15 172.858 172.858 176.195 -3.337 18220 74 1 1 . 1 1 24 24 GLY CA C 15 46.900 46.900 47.356 -0.456 18220 75 1 1 . 1 1 24 24 GLY H H 15 8.475 8.475 8.648 -0.173 18220 76 1 1 . 1 1 25 25 SER N N 16 116.214 116.214 118.874 -2.660 18220 77 1 1 . 1 1 25 25 SER HA H 16 4.280 4.280 3.998 0.282 18220 78 1 1 . 1 1 25 25 SER CA C 16 60.300 60.300 61.649 -1.349 18220 79 1 1 . 1 1 25 25 SER CB C 16 62.879 62.879 62.534 0.345 18220 80 1 1 . 1 1 25 25 SER H H 16 7.963 7.963 8.319 -0.356 18220 81 1 1 . 1 1 26 26 ILE N N 17 121.024 121.024 122.326 -1.302 18220 82 1 1 . 1 1 26 26 ILE HA H 17 3.946 3.946 3.406 0.540 18220 83 1 1 . 1 1 26 26 ILE C C 17 173.935 173.935 178.400 -4.465 18220 84 1 1 . 1 1 26 26 ILE CA C 17 63.100 63.100 63.827 -0.727 18220 85 1 1 . 1 1 26 26 ILE CB C 17 38.107 38.107 36.639 1.468 18220 86 1 1 . 1 1 26 26 ILE H H 17 7.676 7.676 8.248 -0.572 18220 87 1 1 . 1 1 27 27 PHE N N 18 117.142 117.142 120.241 -3.099 18220 88 1 1 . 1 1 27 27 PHE HA H 18 4.430 4.430 4.094 0.336 18220 89 1 1 . 1 1 27 27 PHE C C 18 173.504 173.504 177.238 -3.734 18220 90 1 1 . 1 1 27 27 PHE CA C 18 58.500 58.500 60.959 -2.459 18220 91 1 1 . 1 1 27 27 PHE CB C 18 38.774 38.774 38.842 -0.068 18220 92 1 1 . 1 1 27 27 PHE H H 18 7.703 7.703 8.259 -0.556 18220 93 1 1 . 1 1 28 28 GLY N N 19 107.303 107.303 104.937 2.366 18220 94 1 1 . 1 1 28 28 GLY C C 19 171.593 171.593 174.257 -2.664 18220 95 1 1 . 1 1 28 28 GLY CA C 19 45.600 45.600 45.050 0.550 18220 96 1 1 . 1 1 28 28 GLY H H 19 7.722 7.722 7.517 0.205 18220 97 1 1 . 1 1 29 29 TYR N N 20 119.862 119.862 119.489 0.373 18220 98 1 1 . 1 1 29 29 TYR HA H 20 4.392 4.392 4.125 0.267 18220 99 1 1 . 1 1 29 29 TYR C C 20 173.174 173.174 175.030 -1.856 18220 100 1 1 . 1 1 29 29 TYR CA C 20 58.500 58.500 59.560 -1.060 18220 101 1 1 . 1 1 29 29 TYR CB C 20 38.404 38.404 36.903 1.501 18220 102 1 1 . 1 1 29 29 TYR H H 20 7.880 7.880 7.524 0.356 18220 103 1 1 . 1 1 30 30 LYS N N 21 122.335 122.335 120.521 1.814 18220 104 1 1 . 1 1 30 30 LYS HA H 21 4.390 4.390 4.512 -0.122 18220 105 1 1 . 1 1 30 30 LYS C C 21 173.547 173.547 175.050 -1.503 18220 106 1 1 . 1 1 30 30 LYS CA C 21 55.800 55.800 56.123 -0.323 18220 107 1 1 . 1 1 30 30 LYS CB C 21 32.396 32.396 32.887 -0.491 18220 108 1 1 . 1 1 30 30 LYS H H 21 7.934 7.934 8.214 -0.280 18220 109 1 1 . 1 1 31 31 ARG N N 22 120.612 120.612 121.528 -0.916 18220 110 1 1 . 1 1 31 31 ARG C C 22 173.547 173.547 175.961 -2.414 18220 111 1 1 . 1 1 31 31 ARG CA C 22 55.834 55.834 56.919 -1.085 18220 112 1 1 . 1 1 31 31 ARG CB C 22 30.101 30.101 31.146 -1.046 18220 113 1 1 . 1 1 31 31 ARG H H 22 7.905 7.905 8.373 -0.468 18220 114 1 1 . 1 1 32 32 ARG N N 23 121.748 121.748 120.533 1.215 18220 115 1 1 . 1 1 32 32 ARG HA H 23 4.310 4.310 4.194 0.116 18220 116 1 1 . 1 1 32 32 ARG C C 23 173.863 173.863 176.037 -2.174 18220 117 1 1 . 1 1 32 32 ARG CA C 23 55.800 55.800 56.858 -1.058 18220 118 1 1 . 1 1 32 32 ARG CB C 23 30.245 30.245 30.460 -0.215 18220 119 1 1 . 1 1 32 32 ARG H H 23 8.175 8.175 8.191 -0.016 18220 120 1 1 . 1 1 33 33 GLY N N 24 109.528 109.528 106.773 2.755 18220 121 1 1 . 1 1 33 33 GLY C C 24 171.752 171.752 173.653 -1.901 18220 122 1 1 . 1 1 33 33 GLY CA C 24 44.900 44.900 44.276 0.624 18220 123 1 1 . 1 1 33 33 GLY H H 24 8.264 8.264 8.418 -0.154 18220 124 1 1 . 1 1 34 34 GLY N N 25 108.563 108.563 108.395 0.168 18220 125 1 1 . 1 1 34 34 GLY C C 25 171.701 171.701 175.074 -3.373 18220 126 1 1 . 1 1 34 34 GLY CA C 25 44.600 44.600 44.926 -0.326 18220 127 1 1 . 1 1 34 34 GLY H H 25 8.208 8.208 8.048 0.160 18220 128 1 1 . 1 1 35 35 VAL N N 26 121.164 121.164 121.770 -0.606 18220 129 1 1 . 1 1 35 35 VAL HA H 26 4.010 4.010 3.890 0.120 18220 130 1 1 . 1 1 35 35 VAL C C 26 175.888 175.888 174.438 1.450 18220 131 1 1 . 1 1 35 35 VAL CA C 26 63.900 63.900 61.891 2.009 18220 132 1 1 . 1 1 35 35 VAL CB C 26 30.690 30.690 31.916 -1.226 18220 133 1 1 . 1 1 35 35 VAL H H 26 8.485 8.485 8.085 0.400 18220 134 1 1 . 1 1 36 36 PRO C C 27 177.660 177.660 177.048 0.612 18220 135 1 1 . 1 1 36 36 PRO CA C 27 61.847 61.847 64.135 -2.288 18220 136 1 1 . 1 1 37 37 SER N N 28 116.023 116.023 108.695 7.328 18220 137 1 1 . 1 1 37 37 SER HA H 28 4.280 4.280 4.431 -0.151 18220 138 1 1 . 1 1 37 37 SER CA C 28 61.100 61.100 59.035 2.065 18220 139 1 1 . 1 1 37 37 SER H H 28 7.948 7.948 7.802 0.146 18220 140 1 1 . 1 1 38 38 LEU N N 29 124.029 124.029 123.535 0.494 18220 141 1 1 . 1 1 38 38 LEU HA H 29 4.170 4.170 4.039 0.131 18220 142 1 1 . 1 1 38 38 LEU C C 29 176.132 176.132 178.882 -2.750 18220 143 1 1 . 1 1 38 38 LEU CA C 29 57.500 57.500 58.074 -0.574 18220 144 1 1 . 1 1 38 38 LEU CB C 29 42.038 42.038 41.621 0.417 18220 145 1 1 . 1 1 38 38 LEU H H 29 8.201 8.201 8.203 -0.002 18220 146 1 1 . 1 1 39 39 ILE N N 30 117.098 117.098 119.223 -2.125 18220 147 1 1 . 1 1 39 39 ILE HA H 30 4.370 4.370 3.676 0.694 18220 148 1 1 . 1 1 39 39 ILE C C 30 176.478 176.478 177.273 -0.795 18220 149 1 1 . 1 1 39 39 ILE CA C 30 63.079 63.079 64.500 -1.421 18220 150 1 1 . 1 1 39 39 ILE CB C 30 36.973 36.973 37.774 -0.801 18220 151 1 1 . 1 1 39 39 ILE H H 30 7.662 7.662 8.004 -0.342 18220 152 1 1 . 1 1 40 40 ALA N N 31 122.447 122.447 121.139 1.308 18220 153 1 1 . 1 1 40 40 ALA HA H 31 4.034 4.034 4.211 -0.177 18220 154 1 1 . 1 1 40 40 ALA C C 31 177.067 177.067 179.757 -2.690 18220 155 1 1 . 1 1 40 40 ALA CA C 31 55.962 55.962 55.516 0.446 18220 156 1 1 . 1 1 40 40 ALA CB C 31 17.856 17.856 17.604 0.252 18220 157 1 1 . 1 1 40 40 ALA H H 31 8.096 8.096 8.047 0.049 18220 158 1 1 . 1 1 41 41 GLY N N 32 104.056 104.056 106.857 -2.801 18220 159 1 1 . 1 1 41 41 GLY C C 32 174.251 174.251 176.444 -2.193 18220 160 1 1 . 1 1 41 41 GLY CA C 32 46.500 46.500 46.803 -0.303 18220 161 1 1 . 1 1 41 41 GLY H H 32 8.123 8.123 7.565 0.558 18220 162 1 1 . 1 1 42 42 LEU N N 33 123.250 123.250 123.287 -0.037 18220 163 1 1 . 1 1 42 42 LEU HA H 33 3.857 3.857 4.089 -0.232 18220 164 1 1 . 1 1 42 42 LEU C C 33 176.033 176.033 178.870 -2.837 18220 165 1 1 . 1 1 42 42 LEU CA C 33 56.668 56.668 58.456 -1.788 18220 166 1 1 . 1 1 42 42 LEU CB C 33 41.721 41.721 41.944 -0.223 18220 167 1 1 . 1 1 42 42 LEU H H 33 7.914 7.914 8.058 -0.144 18220 168 1 1 . 1 1 43 43 PHE N N 34 119.757 119.757 119.068 0.689 18220 169 1 1 . 1 1 43 43 PHE HA H 34 4.200 4.200 4.067 0.133 18220 170 1 1 . 1 1 43 43 PHE C C 34 174.374 174.374 177.705 -3.331 18220 171 1 1 . 1 1 43 43 PHE CA C 34 59.876 59.876 62.863 -2.987 18220 172 1 1 . 1 1 43 43 PHE CB C 34 38.834 38.834 38.416 0.418 18220 173 1 1 . 1 1 43 43 PHE H H 34 8.287 8.287 8.317 -0.030 18220 174 1 1 . 1 1 44 44 VAL N N 35 117.791 117.791 118.703 -0.912 18220 175 1 1 . 1 1 44 44 VAL HA H 35 3.610 3.610 3.620 -0.010 18220 176 1 1 . 1 1 44 44 VAL C C 35 176.205 176.205 178.292 -2.087 18220 177 1 1 . 1 1 44 44 VAL CA C 35 64.559 64.559 68.077 -3.518 18220 178 1 1 . 1 1 44 44 VAL CB C 35 31.432 31.432 31.543 -0.111 18220 179 1 1 . 1 1 44 44 VAL H H 35 8.235 8.235 8.441 -0.206 18220 180 1 1 . 1 1 45 45 GLY N N 36 108.551 108.551 106.598 1.953 18220 181 1 1 . 1 1 45 45 GLY C C 36 173.749 173.749 175.926 -2.177 18220 182 1 1 . 1 1 45 45 GLY CA C 36 46.083 46.083 47.329 -1.246 18220 183 1 1 . 1 1 45 45 GLY H H 36 8.178 8.178 8.086 0.092 18220 184 1 1 . 1 1 46 46 CYS N N 37 121.173 121.173 121.793 -0.620 18220 185 1 1 . 1 1 46 46 CYS HA H 37 4.180 4.180 4.030 0.150 18220 186 1 1 . 1 1 46 46 CYS C C 37 173.710 173.710 177.061 -3.351 18220 187 1 1 . 1 1 46 46 CYS CA C 37 63.000 63.000 64.524 -1.524 18220 188 1 1 . 1 1 46 46 CYS CB C 37 60.283 60.283 27.439 32.844 18220 189 1 1 . 1 1 46 46 CYS H H 37 8.253 8.253 8.113 0.140 18220 190 1 1 . 1 1 47 47 LEU N N 38 120.283 120.283 119.739 0.544 18220 191 1 1 . 1 1 47 47 LEU HA H 38 4.060 4.060 3.805 0.255 18220 192 1 1 . 1 1 47 47 LEU C C 38 176.679 176.679 179.266 -2.587 18220 193 1 1 . 1 1 47 47 LEU CA C 38 56.027 56.027 58.014 -1.987 18220 194 1 1 . 1 1 47 47 LEU CB C 38 41.464 41.464 41.445 0.019 18220 195 1 1 . 1 1 47 47 LEU H H 38 7.965 7.965 8.154 -0.189 18220 196 1 1 . 1 1 48 48 ALA N N 39 122.249 122.249 121.842 0.407 18220 197 1 1 . 1 1 48 48 ALA HA H 39 4.142 4.142 4.034 0.108 18220 198 1 1 . 1 1 48 48 ALA C C 39 177.915 177.915 179.526 -1.611 18220 199 1 1 . 1 1 48 48 ALA CA C 39 53.717 53.717 55.149 -1.432 18220 200 1 1 . 1 1 48 48 ALA CB C 39 17.985 17.985 18.079 -0.094 18220 201 1 1 . 1 1 48 48 ALA H H 39 8.066 8.066 8.297 -0.231 18220 202 1 1 . 1 1 49 49 GLY N N 40 107.377 107.377 107.249 0.128 18220 203 1 1 . 1 1 49 49 GLY C C 40 172.527 172.527 176.115 -3.588 18220 204 1 1 . 1 1 49 49 GLY CA C 40 45.450 45.450 47.135 -1.685 18220 205 1 1 . 1 1 49 49 GLY H H 40 8.172 8.172 8.456 -0.284 18220 206 1 1 . 1 1 50 50 TYR N N 41 122.409 122.409 122.951 -0.542 18220 207 1 1 . 1 1 50 50 TYR HA H 41 3.799 3.799 4.029 -0.230 18220 208 1 1 . 1 1 50 50 TYR C C 41 174.208 174.208 178.553 -4.345 18220 209 1 1 . 1 1 50 50 TYR CA C 41 59.245 59.245 61.507 -2.262 18220 210 1 1 . 1 1 50 50 TYR CB C 41 37.936 37.936 38.174 -0.238 18220 211 1 1 . 1 1 50 50 TYR H H 41 7.800 7.800 8.598 -0.798 18220 212 1 1 . 1 1 51 51 GLY N N 42 106.935 106.935 105.688 1.247 18220 213 1 1 . 1 1 51 51 GLY C C 42 172.642 172.642 175.701 -3.059 18220 214 1 1 . 1 1 51 51 GLY CA C 42 46.265 46.265 46.983 -0.718 18220 215 1 1 . 1 1 51 51 GLY H H 42 8.199 8.199 8.390 -0.191 18220 216 1 1 . 1 1 52 52 ALA N N 43 123.018 123.018 125.663 -2.645 18220 217 1 1 . 1 1 52 52 ALA HA H 43 4.150 4.150 4.198 -0.048 18220 218 1 1 . 1 1 52 52 ALA C C 43 176.398 176.398 179.532 -3.134 18220 219 1 1 . 1 1 52 52 ALA CA C 43 52.883 52.883 54.413 -1.530 18220 220 1 1 . 1 1 52 52 ALA CB C 43 18.241 18.241 18.515 -0.274 18220 221 1 1 . 1 1 52 52 ALA H H 43 7.758 7.758 8.163 -0.405 18220 222 1 1 . 1 1 53 53 TYR N N 44 119.664 119.664 119.105 0.559 18220 223 1 1 . 1 1 53 53 TYR HA H 44 4.318 4.318 4.331 -0.013 18220 224 1 1 . 1 1 53 53 TYR C C 44 174.180 174.180 177.570 -3.390 18220 225 1 1 . 1 1 53 53 TYR CA C 44 58.593 58.593 59.581 -0.988 18220 226 1 1 . 1 1 53 53 TYR CB C 44 38.192 38.192 38.643 -0.451 18220 227 1 1 . 1 1 53 53 TYR H H 44 7.920 7.920 8.095 -0.175 18220 228 1 1 . 1 1 54 54 ARG N N 45 119.516 119.516 119.275 0.241 18220 229 1 1 . 1 1 54 54 ARG HA H 45 3.930 3.930 4.135 -0.205 18220 230 1 1 . 1 1 54 54 ARG C C 45 174.423 174.423 176.466 -2.043 18220 231 1 1 . 1 1 54 54 ARG CA C 45 56.027 56.027 57.971 -1.944 18220 232 1 1 . 1 1 54 54 ARG CB C 45 30.173 30.173 31.344 -1.171 18220 233 1 1 . 1 1 54 54 ARG H H 45 7.956 7.956 7.902 0.054 18220 234 1 1 . 1 1 55 55 VAL N N 46 116.437 116.437 117.899 -1.462 18220 235 1 1 . 1 1 55 55 VAL HA H 46 4.060 4.060 3.856 0.204 18220 236 1 1 . 1 1 55 55 VAL C C 46 173.806 173.806 175.367 -1.561 18220 237 1 1 . 1 1 55 55 VAL CA C 46 62.300 62.300 63.408 -1.108 18220 238 1 1 . 1 1 55 55 VAL CB C 46 31.521 31.521 29.866 1.655 18220 239 1 1 . 1 1 55 55 VAL H H 46 7.489 7.489 8.167 -0.678 18220 240 1 1 . 1 1 56 56 SER N N 47 117.185 117.185 119.222 -2.037 18220 241 1 1 . 1 1 56 56 SER HA H 47 4.401 4.401 4.438 -0.037 18220 242 1 1 . 1 1 56 56 SER C C 47 172.074 172.074 174.844 -2.770 18220 243 1 1 . 1 1 56 56 SER CA C 47 58.133 58.133 59.230 -1.097 18220 244 1 1 . 1 1 56 56 SER CB C 47 63.468 63.468 63.957 -0.489 18220 245 1 1 . 1 1 56 56 SER H H 47 7.728 7.728 8.580 -0.852 18220 246 1 1 . 1 1 57 57 ASN N N 48 121.049 121.049 118.407 2.642 18220 247 1 1 . 1 1 57 57 ASN HA H 48 4.590 4.590 4.740 -0.150 18220 248 1 1 . 1 1 57 57 ASN CA C 48 53.600 53.600 53.355 0.245 18220 249 1 1 . 1 1 57 57 ASN CB C 48 38.641 38.641 39.511 -0.870 18220 250 1 1 . 1 1 57 57 ASN H H 48 8.228 8.228 8.239 -0.011 18220 251 1 1 . 1 1 58 58 ASP N N 49 120.276 120.276 121.730 -1.454 18220 252 1 1 . 1 1 58 58 ASP HA H 49 4.530 4.530 4.418 0.112 18220 253 1 1 . 1 1 58 58 ASP CA C 49 54.202 54.202 54.997 -0.795 18220 254 1 1 . 1 1 58 58 ASP CB C 49 40.374 40.374 41.556 -1.182 18220 255 1 1 . 1 1 58 58 ASP H H 49 8.192 8.192 8.191 0.001 18220 256 1 1 . 1 1 59 59 LYS N N 50 120.660 120.660 120.452 0.208 18220 257 1 1 . 1 1 59 59 LYS HA H 50 4.200 4.200 3.992 0.208 18220 258 1 1 . 1 1 59 59 LYS C C 50 173.474 173.474 176.917 -3.443 18220 259 1 1 . 1 1 59 59 LYS CA C 50 56.300 56.300 57.506 -1.206 18220 260 1 1 . 1 1 59 59 LYS CB C 50 32.034 32.034 33.061 -1.027 18220 261 1 1 . 1 1 59 59 LYS H H 50 8.003 8.003 8.117 -0.114 18220 262 1 1 . 1 1 60 60 ARG N N 51 121.278 121.278 116.960 4.318 18220 263 1 1 . 1 1 60 60 ARG HA H 51 4.200 4.200 4.279 -0.079 18220 264 1 1 . 1 1 60 60 ARG C C 51 173.303 173.303 176.412 -3.109 18220 265 1 1 . 1 1 60 60 ARG CA C 51 56.283 56.283 56.317 -0.034 18220 266 1 1 . 1 1 60 60 ARG CB C 51 30.238 30.238 30.993 -0.755 18220 267 1 1 . 1 1 60 60 ARG H H 51 8.091 8.091 8.264 -0.173 18220 268 1 1 . 1 1 61 61 ASP N N 52 121.185 121.185 118.830 2.355 18220 269 1 1 . 1 1 61 61 ASP HA H 52 4.615 4.615 4.457 0.158 18220 270 1 1 . 1 1 61 61 ASP C C 52 173.777 173.777 177.002 -3.225 18220 271 1 1 . 1 1 61 61 ASP CA C 52 53.979 53.979 54.937 -0.958 18220 272 1 1 . 1 1 61 61 ASP CB C 52 40.245 40.245 40.968 -0.723 18220 273 1 1 . 1 1 61 61 ASP H H 52 8.261 8.261 8.621 -0.360 18220 274 1 1 . 1 1 62 62 VAL N N 53 121.902 121.902 115.522 6.380 18220 275 1 1 . 1 1 62 62 VAL HA H 53 3.950 3.950 3.503 0.447 18220 276 1 1 . 1 1 62 62 VAL C C 53 173.279 173.279 177.542 -4.263 18220 277 1 1 . 1 1 62 62 VAL CA C 53 63.176 63.176 65.986 -2.810 18220 278 1 1 . 1 1 62 62 VAL CB C 53 32.099 32.099 30.500 1.599 18220 279 1 1 . 1 1 62 62 VAL H H 53 7.997 7.997 8.579 -0.582 18220 280 1 1 . 1 1 63 63 LYS N N 54 123.522 123.522 121.162 2.360 18220 281 1 1 . 1 1 63 63 LYS HA H 54 4.260 4.260 3.922 0.338 18220 282 1 1 . 1 1 63 63 LYS C C 54 174.481 174.481 178.652 -4.171 18220 283 1 1 . 1 1 63 63 LYS CA C 54 56.347 56.347 59.480 -3.133 18220 284 1 1 . 1 1 63 63 LYS CB C 54 32.099 32.099 32.505 -0.406 18220 285 1 1 . 1 1 63 63 LYS H H 54 8.054 8.054 8.069 -0.015 18220 286 1 1 . 1 1 64 64 VAL N N 55 120.647 120.647 116.642 4.005 18220 287 1 1 . 1 1 64 64 VAL HA H 55 3.947 3.947 3.616 0.331 18220 288 1 1 . 1 1 64 64 VAL C C 55 174.955 174.955 177.876 -2.921 18220 289 1 1 . 1 1 64 64 VAL CA C 55 64.600 64.600 66.127 -1.527 18220 290 1 1 . 1 1 64 64 VAL CB C 55 31.877 31.877 30.636 1.241 18220 291 1 1 . 1 1 64 64 VAL H H 55 8.225 8.225 7.688 0.537 18220 292 1 1 . 1 1 65 65 SER N N 56 117.785 117.785 116.052 1.733 18220 293 1 1 . 1 1 65 65 SER HA H 56 4.390 4.390 4.126 0.264 18220 294 1 1 . 1 1 65 65 SER C C 56 172.300 172.300 176.760 -4.460 18220 295 1 1 . 1 1 65 65 SER CA C 56 60.000 60.000 62.099 -2.099 18220 296 1 1 . 1 1 65 65 SER CB C 56 62.879 62.879 62.716 0.163 18220 297 1 1 . 1 1 65 65 SER H H 56 8.260 8.260 7.830 0.430 18220 298 1 1 . 1 1 66 66 LEU N N 57 123.318 123.318 122.090 1.228 18220 299 1 1 . 1 1 66 66 LEU HA H 57 4.090 4.090 4.038 0.052 18220 300 1 1 . 1 1 66 66 LEU C C 57 175.932 175.932 178.302 -2.370 18220 301 1 1 . 1 1 66 66 LEU CA C 57 57.502 57.502 57.745 -0.243 18220 302 1 1 . 1 1 66 66 LEU CB C 57 41.721 41.721 41.981 -0.260 18220 303 1 1 . 1 1 66 66 LEU H H 57 8.091 8.091 7.560 0.531 18220 304 1 1 . 1 1 67 67 PHE N N 58 118.020 118.020 118.967 -0.947 18220 305 1 1 . 1 1 67 67 PHE HA H 58 4.330 4.330 4.391 -0.061 18220 306 1 1 . 1 1 67 67 PHE C C 58 174.912 174.912 177.264 -2.352 18220 307 1 1 . 1 1 67 67 PHE CA C 58 60.600 60.600 61.326 -0.726 18220 308 1 1 . 1 1 67 67 PHE CB C 58 38.552 38.552 39.051 -0.499 18220 309 1 1 . 1 1 67 67 PHE H H 58 8.066 8.066 8.491 -0.425 18220 310 1 1 . 1 1 68 68 THR N N 59 115.324 115.324 118.169 -2.845 18220 311 1 1 . 1 1 68 68 THR HA H 59 4.310 4.310 3.959 0.351 18220 312 1 1 . 1 1 68 68 THR C C 59 173.380 173.380 176.240 -2.860 18220 313 1 1 . 1 1 68 68 THR CA C 59 66.313 66.313 68.008 -1.696 18220 314 1 1 . 1 1 68 68 THR CB C 59 67.700 67.700 68.634 -0.934 18220 315 1 1 . 1 1 68 68 THR H H 59 8.287 8.287 8.265 0.022 18220 316 1 1 . 1 1 69 69 ALA N N 60 123.621 123.621 124.474 -0.853 18220 317 1 1 . 1 1 69 69 ALA HA H 60 4.280 4.280 4.209 0.071 18220 318 1 1 . 1 1 69 69 ALA C C 60 176.978 176.978 179.134 -2.156 18220 319 1 1 . 1 1 69 69 ALA CA C 60 55.100 55.100 54.983 0.117 18220 320 1 1 . 1 1 69 69 ALA CB C 60 17.728 17.728 18.163 -0.435 18220 321 1 1 . 1 1 69 69 ALA H H 60 7.983 7.983 8.382 -0.399 18220 322 1 1 . 1 1 70 70 PHE N N 61 118.520 118.520 120.242 -1.722 18220 323 1 1 . 1 1 70 70 PHE HA H 61 4.260 4.260 4.098 0.162 18220 324 1 1 . 1 1 70 70 PHE C C 61 175.369 175.369 177.054 -1.685 18220 325 1 1 . 1 1 70 70 PHE CA C 61 60.179 60.179 61.802 -1.623 18220 326 1 1 . 1 1 70 70 PHE CB C 61 38.706 38.706 39.091 -0.385 18220 327 1 1 . 1 1 70 70 PHE H H 61 8.007 8.007 8.357 -0.350 18220 328 1 1 . 1 1 71 71 PHE N N 62 122.314 122.314 119.266 3.048 18220 329 1 1 . 1 1 71 71 PHE HA H 62 4.000 4.000 3.901 0.099 18220 330 1 1 . 1 1 71 71 PHE C C 62 174.697 174.697 177.335 -2.638 18220 331 1 1 . 1 1 71 71 PHE CA C 62 60.517 60.517 61.770 -1.253 18220 332 1 1 . 1 1 71 71 PHE CB C 62 38.770 38.770 38.736 0.034 18220 333 1 1 . 1 1 71 71 PHE H H 62 8.546 8.546 8.034 0.512 18220 334 1 1 . 1 1 72 72 LEU N N 63 119.399 119.399 120.473 -1.074 18220 335 1 1 . 1 1 72 72 LEU HA H 63 3.870 3.870 3.766 0.104 18220 336 1 1 . 1 1 72 72 LEU C C 63 175.774 175.774 178.756 -2.982 18220 337 1 1 . 1 1 72 72 LEU CA C 63 56.925 56.925 58.305 -1.380 18220 338 1 1 . 1 1 72 72 LEU CB C 63 41.207 41.207 41.426 -0.219 18220 339 1 1 . 1 1 72 72 LEU H H 63 8.396 8.396 8.180 0.216 18220 340 1 1 . 1 1 73 73 ALA N N 64 120.221 120.221 120.342 -0.121 18220 341 1 1 . 1 1 73 73 ALA HA H 64 3.960 3.960 3.855 0.105 18220 342 1 1 . 1 1 73 73 ALA C C 64 177.267 177.267 179.431 -2.164 18220 343 1 1 . 1 1 73 73 ALA CA C 64 54.600 54.600 55.265 -0.665 18220 344 1 1 . 1 1 73 73 ALA CB C 64 17.784 17.784 17.892 -0.108 18220 345 1 1 . 1 1 73 73 ALA H H 64 8.025 8.025 8.465 -0.440 18220 346 1 1 . 1 1 74 74 THR N N 65 113.648 113.648 114.397 -0.749 18220 347 1 1 . 1 1 74 74 THR HA H 65 3.980 3.980 3.836 0.144 18220 348 1 1 . 1 1 74 74 THR CA C 65 66.291 66.291 66.345 -0.054 18220 349 1 1 . 1 1 74 74 THR CB C 65 67.914 67.914 68.159 -0.244 18220 350 1 1 . 1 1 74 74 THR H H 65 7.717 7.717 7.916 -0.199 18220 351 1 1 . 1 1 75 75 ILE N N 66 120.291 120.291 120.130 0.161 18220 352 1 1 . 1 1 75 75 ILE HA H 66 3.740 3.740 3.704 0.036 18220 353 1 1 . 1 1 75 75 ILE C C 66 174.951 174.951 176.969 -2.018 18220 354 1 1 . 1 1 75 75 ILE CA C 66 64.880 64.880 62.870 2.010 18220 355 1 1 . 1 1 75 75 ILE CB C 66 37.166 37.166 38.115 -0.949 18220 356 1 1 . 1 1 75 75 ILE H H 66 7.738 7.738 7.724 0.014 18220 357 1 1 . 1 1 76 76 MET N N 67 117.618 117.618 118.983 -1.365 18220 358 1 1 . 1 1 76 76 MET HA H 67 4.220 4.220 4.082 0.138 18220 359 1 1 . 1 1 76 76 MET C C 67 175.142 175.142 177.902 -2.760 18220 360 1 1 . 1 1 76 76 MET CA C 67 56.723 56.723 58.758 -2.035 18220 361 1 1 . 1 1 76 76 MET CB C 67 31.951 31.951 33.377 -1.426 18220 362 1 1 . 1 1 76 76 MET H H 67 7.823 7.823 7.962 -0.139 18220 363 1 1 . 1 1 77 77 GLY N N 68 107.110 107.110 105.649 1.461 18220 364 1 1 . 1 1 77 77 GLY C C 68 172.260 172.260 173.897 -1.637 18220 365 1 1 . 1 1 77 77 GLY CA C 68 45.800 45.800 45.077 0.723 18220 366 1 1 . 1 1 77 77 GLY H H 68 7.937 7.937 8.564 -0.627 18220 367 1 1 . 1 1 78 78 VAL N N 69 120.431 120.431 126.038 -5.607 18220 368 1 1 . 1 1 78 78 VAL HA H 69 4.220 4.220 4.092 0.128 18220 369 1 1 . 1 1 78 78 VAL CA C 69 63.900 63.900 61.326 2.574 18220 370 1 1 . 1 1 78 78 VAL CB C 69 31.506 31.506 31.300 0.206 18220 371 1 1 . 1 1 78 78 VAL H H 69 7.697 7.697 7.935 -0.238 18220 372 1 1 . 1 1 79 79 ARG N N 70 121.420 121.420 126.890 -5.470 18220 373 1 1 . 1 1 79 79 ARG HA H 70 3.810 3.810 4.125 -0.315 18220 374 1 1 . 1 1 79 79 ARG CA C 70 56.400 56.400 56.245 0.155 18220 375 1 1 . 1 1 79 79 ARG CB C 70 30.097 30.097 30.759 -0.662 18220 376 1 1 . 1 1 79 79 ARG H H 70 7.889 7.889 7.908 -0.019 18220 377 1 1 . 1 1 80 80 PHE N N 71 119.949 119.949 121.806 -1.857 18220 378 1 1 . 1 1 80 80 PHE HA H 71 4.510 4.510 4.249 0.261 18220 379 1 1 . 1 1 80 80 PHE CA C 71 58.600 58.600 59.674 -1.074 18220 380 1 1 . 1 1 80 80 PHE CB C 71 39.145 39.145 39.518 -0.373 18220 381 1 1 . 1 1 80 80 PHE H H 71 8.101 8.101 8.553 -0.452 18220 382 1 1 . 1 1 81 81 LYS N N 72 122.193 122.193 126.598 -4.405 18220 383 1 1 . 1 1 81 81 LYS CA C 72 56.800 56.800 55.084 1.716 18220 384 1 1 . 1 1 81 81 LYS CB C 72 32.322 32.322 34.257 -1.935 18220 385 1 1 . 1 1 81 81 LYS H H 72 8.090 8.090 7.823 0.267 18220 386 1 1 . 1 1 82 82 ARG N N 73 119.650 119.650 124.656 -5.006 18220 387 1 1 . 1 1 82 82 ARG CA C 73 56.089 56.089 56.997 -0.908 18220 388 1 1 . 1 1 82 82 ARG CB C 73 30.171 30.171 29.577 0.594 18220 389 1 1 . 1 1 82 82 ARG H H 73 8.052 8.052 8.239 -0.187 18220 390 1 1 . 1 1 83 83 SER N N 74 115.734 115.734 118.556 -2.822 18220 391 1 1 . 1 1 83 83 SER CA C 74 58.355 58.355 57.779 0.576 18220 392 1 1 . 1 1 83 83 SER CB C 74 63.404 63.404 65.034 -1.630 18220 393 1 1 . 1 1 83 83 SER H H 74 7.912 7.912 8.397 -0.485 18220 394 1 1 . 1 1 84 84 LYS N N 75 122.370 122.370 121.638 0.732 18220 395 1 1 . 1 1 84 84 LYS CA C 75 56.135 56.135 57.177 -1.042 18220 396 1 1 . 1 1 84 84 LYS CB C 75 32.175 32.175 32.680 -0.505 18220 397 1 1 . 1 1 84 84 LYS H H 75 8.067 8.067 8.350 -0.283 18220 398 1 1 . 1 1 86 86 ILE N N 77 119.592 119.592 118.496 1.096 18220 399 1 1 . 1 1 86 86 ILE HA H 77 3.810 3.810 4.365 -0.555 18220 400 1 1 . 1 1 86 86 ILE CA C 77 64.900 64.900 61.086 3.814 18220 401 1 1 . 1 1 86 86 ILE CB C 77 39.145 39.145 38.335 0.810 18220 402 1 1 . 1 1 86 86 ILE H H 77 7.837 7.837 8.424 -0.587 18220 403 1 1 . 1 1 87 87 MET N N 78 121.645 121.645 122.911 -1.266 18220 404 1 1 . 1 1 87 87 MET CA C 78 52.982 52.982 61.084 -8.102 18220 405 1 1 . 1 1 87 87 MET CB C 78 32.173 32.173 29.886 2.287 18220 406 1 1 . 1 1 87 87 MET H H 78 7.950 7.950 8.881 -0.931 18220 407 1 1 . 1 1 88 88 PRO HA H 79 4.140 4.140 4.491 -0.351 18220 408 1 1 . 1 1 88 88 PRO C C 79 173.921 173.921 178.357 -4.436 18220 409 1 1 . 1 1 88 88 PRO CA C 79 62.800 62.800 65.436 -2.636 18220 410 1 1 . 1 1 88 88 PRO CB C 79 31.136 31.136 31.201 -0.065 18220 411 1 1 . 1 1 89 89 ALA N N 80 124.431 124.431 121.219 3.212 18220 412 1 1 . 1 1 89 89 ALA HA H 80 4.400 4.400 4.217 0.183 18220 413 1 1 . 1 1 89 89 ALA C C 80 176.234 176.234 179.982 -3.748 18220 414 1 1 . 1 1 89 89 ALA CA C 80 53.300 53.300 54.849 -1.549 18220 415 1 1 . 1 1 89 89 ALA CB C 80 18.498 18.498 18.473 0.025 18220 416 1 1 . 1 1 89 89 ALA H H 80 8.320 8.320 8.337 -0.017 18220 417 1 1 . 1 1 90 90 GLY N N 81 106.834 106.834 106.894 -0.060 18220 418 1 1 . 1 1 90 90 GLY C C 81 172.398 172.398 175.982 -3.584 18220 419 1 1 . 1 1 90 90 GLY CA C 81 45.600 45.600 47.043 -1.443 18220 420 1 1 . 1 1 90 90 GLY H H 81 8.458 8.458 8.474 -0.016 18220 421 1 1 . 1 1 91 91 LEU N N 82 121.043 121.043 122.029 -0.986 18220 422 1 1 . 1 1 91 91 LEU HA H 82 4.200 4.200 3.979 0.221 18220 423 1 1 . 1 1 91 91 LEU C C 82 174.783 174.783 178.609 -3.826 18220 424 1 1 . 1 1 91 91 LEU CA C 82 56.300 56.300 57.773 -1.473 18220 425 1 1 . 1 1 91 91 LEU CB C 82 42.106 42.106 42.055 0.051 18220 426 1 1 . 1 1 91 91 LEU H H 82 7.687 7.687 7.550 0.137 18220 427 1 1 . 1 1 92 92 VAL N N 83 114.737 114.737 118.211 -3.474 18220 428 1 1 . 1 1 92 92 VAL HA H 83 3.980 3.980 3.541 0.439 18220 429 1 1 . 1 1 92 92 VAL C C 83 173.634 173.634 177.998 -4.364 18220 430 1 1 . 1 1 92 92 VAL CA C 83 62.400 62.400 65.696 -3.296 18220 431 1 1 . 1 1 92 92 VAL CB C 83 31.585 31.585 30.587 0.998 18220 432 1 1 . 1 1 92 92 VAL H H 83 7.602 7.602 7.846 -0.244 18220 433 1 1 . 1 1 93 93 ALA N N 84 124.320 124.320 121.747 2.573 18220 434 1 1 . 1 1 93 93 ALA HA H 84 4.150 4.150 4.141 0.009 18220 435 1 1 . 1 1 93 93 ALA C C 84 175.746 175.746 179.858 -4.112 18220 436 1 1 . 1 1 93 93 ALA CA C 84 53.300 53.300 55.177 -1.877 18220 437 1 1 . 1 1 93 93 ALA CB C 84 18.241 18.241 18.198 0.042 18220 438 1 1 . 1 1 93 93 ALA H H 84 7.891 7.891 8.220 -0.329 18220 439 1 1 . 1 1 94 94 GLY N N 85 106.807 106.807 108.591 -1.784 18220 440 1 1 . 1 1 94 94 GLY C C 85 171.752 171.752 175.945 -4.193 18220 441 1 1 . 1 1 94 94 GLY CA C 85 45.249 45.249 46.846 -1.597 18220 442 1 1 . 1 1 94 94 GLY H H 85 8.204 8.204 8.094 0.110 18220 443 1 1 . 1 1 95 95 LEU N N 86 121.266 121.266 122.549 -1.283 18220 444 1 1 . 1 1 95 95 LEU HA H 86 4.380 4.380 4.087 0.293 18220 445 1 1 . 1 1 95 95 LEU C C 86 173.702 173.702 178.689 -4.987 18220 446 1 1 . 1 1 95 95 LEU CA C 86 55.000 55.000 57.638 -2.638 18220 447 1 1 . 1 1 95 95 LEU CB C 86 42.298 42.298 41.017 1.281 18220 448 1 1 . 1 1 95 95 LEU H H 86 7.718 7.718 8.218 -0.500 18220 449 1 1 . 1 1 96 96 SER N N 87 115.658 115.658 114.811 0.847 18220 450 1 1 . 1 1 96 96 SER HA H 87 4.370 4.370 4.110 0.260 18220 451 1 1 . 1 1 96 96 SER C C 87 172.479 172.479 176.807 -4.328 18220 452 1 1 . 1 1 96 96 SER CA C 87 57.200 57.200 62.082 -4.882 18220 453 1 1 . 1 1 96 96 SER CB C 87 64.174 64.174 62.966 1.208 18220 454 1 1 . 1 1 96 96 SER H H 87 7.659 7.659 8.164 -0.505 18220 455 1 1 . 1 1 97 97 LEU N N 88 123.720 123.720 122.208 1.512 18220 456 1 1 . 1 1 97 97 LEU HA H 88 4.600 4.600 3.980 0.620 18220 457 1 1 . 1 1 97 97 LEU C C 88 175.932 175.932 179.230 -3.298 18220 458 1 1 . 1 1 97 97 LEU CA C 88 57.600 57.600 57.860 -0.260 18220 459 1 1 . 1 1 97 97 LEU CB C 88 41.400 41.400 41.199 0.201 18220 460 1 1 . 1 1 97 97 LEU H H 88 8.733 8.733 8.082 0.651 18220 461 1 1 . 1 1 98 98 MET N N 89 116.684 116.684 118.611 -1.927 18220 462 1 1 . 1 1 98 98 MET HA H 89 4.280 4.280 4.008 0.272 18220 463 1 1 . 1 1 98 98 MET C C 89 175.789 175.789 178.502 -2.713 18220 464 1 1 . 1 1 98 98 MET CA C 89 56.915 56.915 58.772 -1.857 18220 465 1 1 . 1 1 98 98 MET CB C 89 31.007 31.007 32.397 -1.390 18220 466 1 1 . 1 1 98 98 MET H H 89 8.342 8.342 8.086 0.256 18220 467 1 1 . 1 1 99 99 MET N N 90 119.182 119.182 119.666 -0.484 18220 468 1 1 . 1 1 99 99 MET HA H 90 4.110 4.110 3.946 0.164 18220 469 1 1 . 1 1 99 99 MET C C 90 175.588 175.588 178.531 -2.943 18220 470 1 1 . 1 1 99 99 MET CA C 90 57.951 57.951 59.768 -1.817 18220 471 1 1 . 1 1 99 99 MET CB C 90 32.226 32.226 32.541 -0.315 18220 472 1 1 . 1 1 99 99 MET H H 90 7.720 7.720 7.988 -0.268 18220 473 1 1 . 1 1 100 100 ILE N N 91 119.077 119.077 119.540 -0.463 18220 474 1 1 . 1 1 100 100 ILE HA H 91 4.110 4.110 3.581 0.529 18220 475 1 1 . 1 1 100 100 ILE C C 91 174.634 174.634 178.048 -3.414 18220 476 1 1 . 1 1 100 100 ILE CA C 91 64.100 64.100 65.300 -1.200 18220 477 1 1 . 1 1 100 100 ILE CB C 91 37.143 37.143 37.695 -0.552 18220 478 1 1 . 1 1 100 100 ILE H H 91 7.662 7.662 8.094 -0.432 18220 479 1 1 . 1 1 101 101 LEU N N 92 119.646 119.646 119.147 0.499 18220 480 1 1 . 1 1 101 101 LEU HA H 92 4.530 4.530 3.945 0.585 18220 481 1 1 . 1 1 101 101 LEU C C 92 175.430 175.430 178.966 -3.536 18220 482 1 1 . 1 1 101 101 LEU CA C 92 57.800 57.800 58.267 -0.467 18220 483 1 1 . 1 1 101 101 LEU CB C 92 40.758 40.758 41.490 -0.732 18220 484 1 1 . 1 1 101 101 LEU H H 92 8.142 8.142 8.035 0.107 18220 485 1 1 . 1 1 102 102 ARG N N 93 116.394 116.394 119.791 -3.397 18220 486 1 1 . 1 1 102 102 ARG HA H 93 4.140 4.140 4.099 0.041 18220 487 1 1 . 1 1 102 102 ARG C C 93 175.961 175.961 178.677 -2.716 18220 488 1 1 . 1 1 102 102 ARG CA C 93 59.100 59.100 58.915 0.185 18220 489 1 1 . 1 1 102 102 ARG CB C 93 29.404 29.404 29.844 -0.440 18220 490 1 1 . 1 1 102 102 ARG H H 93 7.893 7.893 8.049 -0.156 18220 491 1 1 . 1 1 103 103 LEU N N 94 119.114 119.114 120.158 -1.044 18220 492 1 1 . 1 1 103 103 LEU HA H 94 4.110 4.110 4.048 0.062 18220 493 1 1 . 1 1 103 103 LEU C C 94 175.889 175.889 178.960 -3.071 18220 494 1 1 . 1 1 103 103 LEU CA C 94 57.300 57.300 57.963 -0.663 18220 495 1 1 . 1 1 103 103 LEU CB C 94 41.296 41.296 42.025 -0.729 18220 496 1 1 . 1 1 103 103 LEU H H 94 7.622 7.622 8.105 -0.483 18220 497 1 1 . 1 1 104 104 VAL N N 95 117.704 117.704 117.821 -0.117 18220 498 1 1 . 1 1 104 104 VAL HA H 95 3.530 3.530 3.794 -0.264 18220 499 1 1 . 1 1 104 104 VAL C C 95 175.042 175.042 177.407 -2.365 18220 500 1 1 . 1 1 104 104 VAL CA C 95 66.419 66.419 66.096 0.323 18220 501 1 1 . 1 1 104 104 VAL CB C 95 31.357 31.357 32.176 -0.819 18220 502 1 1 . 1 1 104 104 VAL H H 95 8.026 8.026 7.284 0.742 18220 503 1 1 . 1 1 105 105 LEU N N 96 117.185 117.185 121.429 -4.244 18220 504 1 1 . 1 1 105 105 LEU HA H 96 3.980 3.980 3.839 0.141 18220 505 1 1 . 1 1 105 105 LEU C C 96 176.579 176.579 178.510 -1.931 18220 506 1 1 . 1 1 105 105 LEU CA C 96 56.800 56.800 58.320 -1.520 18220 507 1 1 . 1 1 105 105 LEU CB C 96 40.951 40.951 41.949 -0.998 18220 508 1 1 . 1 1 105 105 LEU H H 96 7.893 7.893 7.772 0.121 18220 509 1 1 . 1 1 106 106 LEU N N 97 118.471 118.471 119.673 -1.202 18220 510 1 1 . 1 1 106 106 LEU HA H 97 4.180 4.180 3.924 0.256 18220 511 1 1 . 1 1 106 106 LEU C C 97 175.802 175.802 178.412 -2.610 18220 512 1 1 . 1 1 106 106 LEU CA C 97 56.300 56.300 57.867 -1.567 18220 513 1 1 . 1 1 106 106 LEU CB C 97 41.592 41.592 42.086 -0.494 18220 514 1 1 . 1 1 106 106 LEU H H 97 7.545 7.545 7.938 -0.393 18220 515 1 1 . 1 1 107 107 LEU N N 98 118.162 118.162 118.875 -0.713 18220 516 1 1 . 1 1 107 107 LEU HA H 98 4.230 4.230 4.078 0.152 18220 517 1 1 . 1 1 107 107 LEU C C 98 174.174 174.174 178.078 -3.904 18220 518 1 1 . 1 1 107 107 LEU CA C 98 56.283 56.283 56.213 0.070 18220 519 1 1 . 1 1 107 107 LEU CB C 98 42.362 42.362 42.511 -0.149 18220 520 1 1 . 1 1 107 107 LEU H H 98 7.688 7.688 7.573 0.115 18220 521 1 2 . 1 1 11 11 ASP N N 2 120.536 120.536 122.630 -2.094 18220 522 1 2 . 1 1 11 11 ASP CA C 2 55.918 55.918 54.116 1.802 18220 523 1 2 . 1 1 11 11 ASP CB C 2 37.959 37.959 42.412 -4.453 18220 524 1 2 . 1 1 11 11 ASP H H 2 7.863 7.863 8.715 -0.852 18220 525 1 2 . 1 1 12 12 LEU N N 3 121.414 121.414 122.745 -1.331 18220 526 1 2 . 1 1 12 12 LEU C C 3 176.162 176.162 175.156 1.006 18220 527 1 2 . 1 1 12 12 LEU CA C 3 57.600 57.600 56.413 1.187 18220 528 1 2 . 1 1 12 12 LEU CB C 3 41.657 41.657 41.076 0.581 18220 529 1 2 . 1 1 12 12 LEU H H 3 8.285 8.285 8.608 -0.323 18220 530 1 2 . 1 1 13 13 ILE N N 4 118.854 118.854 120.030 -1.176 18220 531 1 2 . 1 1 13 13 ILE HA H 4 3.740 3.740 4.306 -0.566 18220 532 1 2 . 1 1 13 13 ILE C C 4 175.228 175.228 175.726 -0.498 18220 533 1 2 . 1 1 13 13 ILE CA C 4 64.500 64.500 60.505 3.994 18220 534 1 2 . 1 1 13 13 ILE CB C 4 37.102 37.102 41.126 -4.024 18220 535 1 2 . 1 1 13 13 ILE H H 4 8.031 8.031 7.994 0.037 18220 536 1 2 . 1 1 14 14 GLY N N 5 107.478 107.478 114.604 -7.126 18220 537 1 2 . 1 1 14 14 GLY C C 5 174.424 174.424 175.151 -0.727 18220 538 1 2 . 1 1 14 14 GLY CA C 5 47.059 47.059 45.475 1.584 18220 539 1 2 . 1 1 14 14 GLY H H 5 8.148 8.148 8.352 -0.204 18220 540 1 2 . 1 1 15 15 PHE N N 6 122.774 122.774 127.379 -4.605 18220 541 1 2 . 1 1 15 15 PHE HA H 6 4.480 4.480 4.201 0.279 18220 542 1 2 . 1 1 15 15 PHE C C 6 175.113 175.113 177.341 -2.228 18220 543 1 2 . 1 1 15 15 PHE CA C 6 60.017 60.017 60.962 -0.945 18220 544 1 2 . 1 1 15 15 PHE CB C 6 38.774 38.774 39.541 -0.767 18220 545 1 2 . 1 1 15 15 PHE H H 6 8.194 8.194 8.787 -0.593 18220 546 1 2 . 1 1 16 16 GLY N N 7 107.938 107.938 107.012 0.926 18220 547 1 2 . 1 1 16 16 GLY C C 7 171.838 171.838 175.921 -4.083 18220 548 1 2 . 1 1 16 16 GLY CA C 7 47.100 47.100 47.668 -0.568 18220 549 1 2 . 1 1 16 16 GLY H H 7 8.697 8.697 8.641 0.056 18220 550 1 2 . 1 1 17 17 TYR N N 8 121.785 121.785 122.514 -0.729 18220 551 1 2 . 1 1 17 17 TYR HA H 8 4.150 4.150 4.131 0.019 18220 552 1 2 . 1 1 17 17 TYR C C 8 174.180 174.180 177.997 -3.817 18220 553 1 2 . 1 1 17 17 TYR CA C 8 61.300 61.300 60.665 0.635 18220 554 1 2 . 1 1 17 17 TYR CB C 8 37.959 37.959 37.988 -0.029 18220 555 1 2 . 1 1 17 17 TYR H H 8 8.710 8.710 8.441 0.269 18220 556 1 2 . 1 1 18 18 ALA N N 9 120.233 120.233 120.343 -0.110 18220 557 1 2 . 1 1 18 18 ALA HA H 9 3.950 3.950 3.862 0.088 18220 558 1 2 . 1 1 18 18 ALA C C 9 178.059 178.059 178.679 -0.620 18220 559 1 2 . 1 1 18 18 ALA CA C 9 54.872 54.872 54.993 -0.121 18220 560 1 2 . 1 1 18 18 ALA CB C 9 17.562 17.562 17.554 0.008 18220 561 1 2 . 1 1 18 18 ALA H H 9 7.843 7.843 8.191 -0.348 18220 562 1 2 . 1 1 19 19 ALA N N 10 121.797 121.797 121.196 0.601 18220 563 1 2 . 1 1 19 19 ALA HA H 10 3.950 3.950 4.099 -0.149 18220 564 1 2 . 1 1 19 19 ALA C C 10 176.191 176.191 179.894 -3.703 18220 565 1 2 . 1 1 19 19 ALA CA C 10 54.600 54.600 54.507 0.093 18220 566 1 2 . 1 1 19 19 ALA CB C 10 17.562 17.562 18.139 -0.577 18220 567 1 2 . 1 1 19 19 ALA H H 10 8.212 8.212 7.672 0.540 18220 568 1 2 . 1 1 20 20 LEU N N 11 119.442 119.442 120.548 -1.106 18220 569 1 2 . 1 1 20 20 LEU HA H 11 3.937 3.937 3.939 -0.002 18220 570 1 2 . 1 1 20 20 LEU C C 11 176.694 176.694 179.065 -2.371 18220 571 1 2 . 1 1 20 20 LEU CA C 11 57.800 57.800 57.972 -0.172 18220 572 1 2 . 1 1 20 20 LEU CB C 11 41.222 41.222 42.002 -0.780 18220 573 1 2 . 1 1 20 20 LEU H H 11 8.065 8.065 7.958 0.107 18220 574 1 2 . 1 1 21 21 VAL N N 12 118.323 118.323 119.559 -1.236 18220 575 1 2 . 1 1 21 21 VAL HA H 12 3.640 3.640 3.649 -0.009 18220 576 1 2 . 1 1 21 21 VAL C C 12 176.536 176.536 178.282 -1.746 18220 577 1 2 . 1 1 21 21 VAL CA C 12 65.400 65.400 66.575 -1.175 18220 578 1 2 . 1 1 21 21 VAL CB C 12 31.135 31.135 30.594 0.541 18220 579 1 2 . 1 1 21 21 VAL H H 12 8.051 8.051 8.288 -0.237 18220 580 1 2 . 1 1 22 22 THR N N 13 118.298 118.298 116.504 1.794 18220 581 1 2 . 1 1 22 22 THR HA H 13 4.660 4.660 3.904 0.756 18220 582 1 2 . 1 1 22 22 THR C C 13 173.734 173.734 176.393 -2.659 18220 583 1 2 . 1 1 22 22 THR CA C 13 66.300 66.300 67.268 -0.968 18220 584 1 2 . 1 1 22 22 THR CB C 13 67.775 67.775 68.550 -0.775 18220 585 1 2 . 1 1 22 22 THR H H 13 7.944 7.944 8.315 -0.371 18220 586 1 2 . 1 1 23 23 PHE N N 14 121.328 121.328 121.085 0.243 18220 587 1 2 . 1 1 23 23 PHE HA H 14 4.340 4.340 4.099 0.241 18220 588 1 2 . 1 1 23 23 PHE C C 14 174.783 174.783 177.193 -2.410 18220 589 1 2 . 1 1 23 23 PHE CA C 14 60.500 60.500 61.388 -0.888 18220 590 1 2 . 1 1 23 23 PHE CB C 14 38.626 38.626 38.732 -0.106 18220 591 1 2 . 1 1 23 23 PHE H H 14 8.567 8.567 8.114 0.453 18220 592 1 2 . 1 1 24 24 GLY N N 15 106.871 106.871 107.306 -0.435 18220 593 1 2 . 1 1 24 24 GLY C C 15 172.858 172.858 176.257 -3.399 18220 594 1 2 . 1 1 24 24 GLY CA C 15 46.900 46.900 47.585 -0.685 18220 595 1 2 . 1 1 24 24 GLY H H 15 8.475 8.475 8.588 -0.113 18220 596 1 2 . 1 1 25 25 SER N N 16 116.214 116.214 117.846 -1.632 18220 597 1 2 . 1 1 25 25 SER HA H 16 4.280 4.280 3.951 0.329 18220 598 1 2 . 1 1 25 25 SER CA C 16 60.300 60.300 61.343 -1.043 18220 599 1 2 . 1 1 25 25 SER CB C 16 62.879 62.879 62.692 0.187 18220 600 1 2 . 1 1 25 25 SER H H 16 7.963 7.963 7.966 -0.003 18220 601 1 2 . 1 1 26 26 ILE N N 17 121.024 121.024 120.957 0.067 18220 602 1 2 . 1 1 26 26 ILE HA H 17 3.946 3.946 3.414 0.532 18220 603 1 2 . 1 1 26 26 ILE C C 17 173.935 173.935 178.184 -4.249 18220 604 1 2 . 1 1 26 26 ILE CA C 17 63.100 63.100 64.997 -1.897 18220 605 1 2 . 1 1 26 26 ILE CB C 17 38.107 38.107 37.849 0.258 18220 606 1 2 . 1 1 26 26 ILE H H 17 7.676 7.676 7.991 -0.315 18220 607 1 2 . 1 1 27 27 PHE N N 18 117.142 117.142 119.533 -2.391 18220 608 1 2 . 1 1 27 27 PHE HA H 18 4.430 4.430 4.050 0.380 18220 609 1 2 . 1 1 27 27 PHE C C 18 173.504 173.504 176.974 -3.470 18220 610 1 2 . 1 1 27 27 PHE CA C 18 58.500 58.500 60.646 -2.146 18220 611 1 2 . 1 1 27 27 PHE CB C 18 38.774 38.774 38.652 0.122 18220 612 1 2 . 1 1 27 27 PHE H H 18 7.703 7.703 8.208 -0.505 18220 613 1 2 . 1 1 28 28 GLY N N 19 107.303 107.303 105.508 1.795 18220 614 1 2 . 1 1 28 28 GLY C C 19 171.593 171.593 174.275 -2.682 18220 615 1 2 . 1 1 28 28 GLY CA C 19 45.600 45.600 46.408 -0.808 18220 616 1 2 . 1 1 28 28 GLY H H 19 7.722 7.722 7.558 0.164 18220 617 1 2 . 1 1 29 29 TYR N N 20 119.862 119.862 113.092 6.770 18220 618 1 2 . 1 1 29 29 TYR HA H 20 4.392 4.392 4.469 -0.077 18220 619 1 2 . 1 1 29 29 TYR C C 20 173.174 173.174 173.560 -0.386 18220 620 1 2 . 1 1 29 29 TYR CA C 20 58.500 58.500 57.987 0.513 18220 621 1 2 . 1 1 29 29 TYR CB C 20 38.404 38.404 39.727 -1.323 18220 622 1 2 . 1 1 29 29 TYR H H 20 7.880 7.880 7.591 0.289 18220 623 1 2 . 1 1 30 30 LYS N N 21 122.335 122.335 118.633 3.702 18220 624 1 2 . 1 1 30 30 LYS HA H 21 4.390 4.390 4.340 0.050 18220 625 1 2 . 1 1 30 30 LYS C C 21 173.547 173.547 174.156 -0.609 18220 626 1 2 . 1 1 30 30 LYS CA C 21 55.800 55.800 55.537 0.263 18220 627 1 2 . 1 1 30 30 LYS CB C 21 32.396 32.396 34.047 -1.651 18220 628 1 2 . 1 1 30 30 LYS H H 21 7.934 7.934 6.506 1.428 18220 629 1 2 . 1 1 31 31 ARG N N 22 120.612 120.612 119.219 1.393 18220 630 1 2 . 1 1 31 31 ARG C C 22 173.547 173.547 177.217 -3.670 18220 631 1 2 . 1 1 31 31 ARG CA C 22 55.834 55.834 58.074 -2.240 18220 632 1 2 . 1 1 31 31 ARG CB C 22 30.101 30.101 31.809 -1.708 18220 633 1 2 . 1 1 31 31 ARG H H 22 7.905 7.905 8.614 -0.709 18220 634 1 2 . 1 1 32 32 ARG N N 23 121.748 121.748 118.320 3.428 18220 635 1 2 . 1 1 32 32 ARG HA H 23 4.310 4.310 4.594 -0.284 18220 636 1 2 . 1 1 32 32 ARG C C 23 173.863 173.863 176.162 -2.299 18220 637 1 2 . 1 1 32 32 ARG CA C 23 55.800 55.800 56.357 -0.557 18220 638 1 2 . 1 1 32 32 ARG CB C 23 30.245 30.245 31.660 -1.415 18220 639 1 2 . 1 1 32 32 ARG H H 23 8.175 8.175 8.141 0.034 18220 640 1 2 . 1 1 33 33 GLY N N 24 109.528 109.528 107.065 2.463 18220 641 1 2 . 1 1 33 33 GLY C C 24 171.752 171.752 172.896 -1.144 18220 642 1 2 . 1 1 33 33 GLY CA C 24 44.900 44.900 45.149 -0.249 18220 643 1 2 . 1 1 33 33 GLY H H 24 8.264 8.264 7.869 0.395 18220 644 1 2 . 1 1 34 34 GLY N N 25 108.563 108.563 107.696 0.867 18220 645 1 2 . 1 1 34 34 GLY C C 25 171.701 171.701 173.899 -2.198 18220 646 1 2 . 1 1 34 34 GLY CA C 25 44.600 44.600 45.055 -0.455 18220 647 1 2 . 1 1 34 34 GLY H H 25 8.208 8.208 8.030 0.177 18220 648 1 2 . 1 1 35 35 VAL N N 26 121.164 121.164 120.543 0.621 18220 649 1 2 . 1 1 35 35 VAL HA H 26 4.010 4.010 4.099 -0.089 18220 650 1 2 . 1 1 35 35 VAL C C 26 175.888 175.888 174.869 1.019 18220 651 1 2 . 1 1 35 35 VAL CA C 26 63.900 63.900 61.360 2.540 18220 652 1 2 . 1 1 35 35 VAL CB C 26 30.690 30.690 31.876 -1.186 18220 653 1 2 . 1 1 35 35 VAL H H 26 8.485 8.485 8.250 0.235 18220 654 1 2 . 1 1 36 36 PRO C C 27 177.660 177.660 177.526 0.134 18220 655 1 2 . 1 1 36 36 PRO CA C 27 61.847 61.847 62.937 -1.090 18220 656 1 2 . 1 1 37 37 SER N N 28 116.023 116.023 112.937 3.086 18220 657 1 2 . 1 1 37 37 SER HA H 28 4.280 4.280 4.082 0.198 18220 658 1 2 . 1 1 37 37 SER CA C 28 61.100 61.100 60.968 0.133 18220 659 1 2 . 1 1 37 37 SER H H 28 7.948 7.948 8.505 -0.557 18220 660 1 2 . 1 1 38 38 LEU N N 29 124.029 124.029 122.912 1.117 18220 661 1 2 . 1 1 38 38 LEU HA H 29 4.170 4.170 3.970 0.200 18220 662 1 2 . 1 1 38 38 LEU C C 29 176.132 176.132 178.134 -2.002 18220 663 1 2 . 1 1 38 38 LEU CA C 29 57.500 57.500 57.929 -0.429 18220 664 1 2 . 1 1 38 38 LEU CB C 29 42.038 42.038 42.216 -0.178 18220 665 1 2 . 1 1 38 38 LEU H H 29 8.201 8.201 8.211 -0.010 18220 666 1 2 . 1 1 39 39 ILE N N 30 117.098 117.098 117.942 -0.844 18220 667 1 2 . 1 1 39 39 ILE HA H 30 4.370 4.370 3.539 0.831 18220 668 1 2 . 1 1 39 39 ILE C C 30 176.478 176.478 177.489 -1.011 18220 669 1 2 . 1 1 39 39 ILE CA C 30 63.079 63.079 65.710 -2.631 18220 670 1 2 . 1 1 39 39 ILE CB C 30 36.973 36.973 37.248 -0.275 18220 671 1 2 . 1 1 39 39 ILE H H 30 7.662 7.662 7.747 -0.085 18220 672 1 2 . 1 1 40 40 ALA N N 31 122.447 122.447 121.789 0.658 18220 673 1 2 . 1 1 40 40 ALA HA H 31 4.034 4.034 4.079 -0.045 18220 674 1 2 . 1 1 40 40 ALA C C 31 177.067 177.067 179.862 -2.795 18220 675 1 2 . 1 1 40 40 ALA CA C 31 55.962 55.962 55.197 0.765 18220 676 1 2 . 1 1 40 40 ALA CB C 31 17.856 17.856 17.746 0.110 18220 677 1 2 . 1 1 40 40 ALA H H 31 8.096 8.096 7.991 0.105 18220 678 1 2 . 1 1 41 41 GLY N N 32 104.056 104.056 106.808 -2.752 18220 679 1 2 . 1 1 41 41 GLY C C 32 174.251 174.251 176.107 -1.856 18220 680 1 2 . 1 1 41 41 GLY CA C 32 46.500 46.500 46.669 -0.169 18220 681 1 2 . 1 1 41 41 GLY H H 32 8.123 8.123 8.202 -0.079 18220 682 1 2 . 1 1 42 42 LEU N N 33 123.250 123.250 123.874 -0.624 18220 683 1 2 . 1 1 42 42 LEU HA H 33 3.857 3.857 4.170 -0.313 18220 684 1 2 . 1 1 42 42 LEU C C 33 176.033 176.033 177.985 -1.952 18220 685 1 2 . 1 1 42 42 LEU CA C 33 56.668 56.668 57.929 -1.261 18220 686 1 2 . 1 1 42 42 LEU CB C 33 41.721 41.721 42.195 -0.474 18220 687 1 2 . 1 1 42 42 LEU H H 33 7.914 7.914 8.033 -0.119 18220 688 1 2 . 1 1 43 43 PHE N N 34 119.757 119.757 119.633 0.124 18220 689 1 2 . 1 1 43 43 PHE HA H 34 4.200 4.200 4.148 0.052 18220 690 1 2 . 1 1 43 43 PHE C C 34 174.374 174.374 177.537 -3.163 18220 691 1 2 . 1 1 43 43 PHE CA C 34 59.876 59.876 61.864 -1.988 18220 692 1 2 . 1 1 43 43 PHE CB C 34 38.834 38.834 38.783 0.051 18220 693 1 2 . 1 1 43 43 PHE H H 34 8.287 8.287 8.636 -0.349 18220 694 1 2 . 1 1 44 44 VAL N N 35 117.791 117.791 119.110 -1.319 18220 695 1 2 . 1 1 44 44 VAL HA H 35 3.610 3.610 3.664 -0.054 18220 696 1 2 . 1 1 44 44 VAL C C 35 176.205 176.205 177.911 -1.706 18220 697 1 2 . 1 1 44 44 VAL CA C 35 64.559 64.559 66.755 -2.196 18220 698 1 2 . 1 1 44 44 VAL CB C 35 31.432 31.432 31.729 -0.297 18220 699 1 2 . 1 1 44 44 VAL H H 35 8.235 8.235 8.483 -0.248 18220 700 1 2 . 1 1 45 45 GLY N N 36 108.551 108.551 106.838 1.713 18220 701 1 2 . 1 1 45 45 GLY C C 36 173.749 173.749 175.734 -1.985 18220 702 1 2 . 1 1 45 45 GLY CA C 36 46.083 46.083 47.430 -1.347 18220 703 1 2 . 1 1 45 45 GLY H H 36 8.178 8.178 8.097 0.081 18220 704 1 2 . 1 1 46 46 CYS N N 37 121.173 121.173 121.161 0.012 18220 705 1 2 . 1 1 46 46 CYS HA H 37 4.180 4.180 4.176 0.004 18220 706 1 2 . 1 1 46 46 CYS C C 37 173.710 173.710 176.588 -2.878 18220 707 1 2 . 1 1 46 46 CYS CA C 37 63.000 63.000 63.155 -0.155 18220 708 1 2 . 1 1 46 46 CYS CB C 37 60.283 60.283 27.923 32.360 18220 709 1 2 . 1 1 46 46 CYS H H 37 8.253 8.253 7.971 0.282 18220 710 1 2 . 1 1 47 47 LEU N N 38 120.283 120.283 121.035 -0.752 18220 711 1 2 . 1 1 47 47 LEU HA H 38 4.060 4.060 3.680 0.380 18220 712 1 2 . 1 1 47 47 LEU C C 38 176.679 176.679 178.290 -1.611 18220 713 1 2 . 1 1 47 47 LEU CA C 38 56.027 56.027 58.251 -2.224 18220 714 1 2 . 1 1 47 47 LEU CB C 38 41.464 41.464 42.014 -0.550 18220 715 1 2 . 1 1 47 47 LEU H H 38 7.965 7.965 8.223 -0.258 18220 716 1 2 . 1 1 48 48 ALA N N 39 122.249 122.249 119.196 3.053 18220 717 1 2 . 1 1 48 48 ALA HA H 39 4.142 4.142 3.982 0.160 18220 718 1 2 . 1 1 48 48 ALA C C 39 177.915 177.915 179.893 -1.978 18220 719 1 2 . 1 1 48 48 ALA CA C 39 53.717 53.717 55.297 -1.580 18220 720 1 2 . 1 1 48 48 ALA CB C 39 17.985 17.985 18.024 -0.039 18220 721 1 2 . 1 1 48 48 ALA H H 39 8.066 8.066 8.415 -0.349 18220 722 1 2 . 1 1 49 49 GLY N N 40 107.377 107.377 107.246 0.131 18220 723 1 2 . 1 1 49 49 GLY C C 40 172.527 172.527 175.632 -3.105 18220 724 1 2 . 1 1 49 49 GLY CA C 40 45.450 45.450 46.911 -1.461 18220 725 1 2 . 1 1 49 49 GLY H H 40 8.172 8.172 8.121 0.051 18220 726 1 2 . 1 1 50 50 TYR N N 41 122.409 122.409 123.787 -1.378 18220 727 1 2 . 1 1 50 50 TYR HA H 41 3.799 3.799 4.121 -0.322 18220 728 1 2 . 1 1 50 50 TYR C C 41 174.208 174.208 178.262 -4.054 18220 729 1 2 . 1 1 50 50 TYR CA C 41 59.245 59.245 61.529 -2.284 18220 730 1 2 . 1 1 50 50 TYR CB C 41 37.936 37.936 38.293 -0.357 18220 731 1 2 . 1 1 50 50 TYR H H 41 7.800 7.800 8.371 -0.571 18220 732 1 2 . 1 1 51 51 GLY N N 42 106.935 106.935 105.640 1.295 18220 733 1 2 . 1 1 51 51 GLY C C 42 172.642 172.642 175.607 -2.965 18220 734 1 2 . 1 1 51 51 GLY CA C 42 46.265 46.265 46.888 -0.623 18220 735 1 2 . 1 1 51 51 GLY H H 42 8.199 8.199 8.240 -0.041 18220 736 1 2 . 1 1 52 52 ALA N N 43 123.018 123.018 123.952 -0.934 18220 737 1 2 . 1 1 52 52 ALA HA H 43 4.150 4.150 3.996 0.154 18220 738 1 2 . 1 1 52 52 ALA C C 43 176.398 176.398 178.945 -2.547 18220 739 1 2 . 1 1 52 52 ALA CA C 43 52.883 52.883 54.414 -1.531 18220 740 1 2 . 1 1 52 52 ALA CB C 43 18.241 18.241 18.461 -0.220 18220 741 1 2 . 1 1 52 52 ALA H H 43 7.758 7.758 8.292 -0.534 18220 742 1 2 . 1 1 53 53 TYR N N 44 119.664 119.664 117.564 2.100 18220 743 1 2 . 1 1 53 53 TYR HA H 44 4.318 4.318 4.319 -0.001 18220 744 1 2 . 1 1 53 53 TYR C C 44 174.180 174.180 177.904 -3.724 18220 745 1 2 . 1 1 53 53 TYR CA C 44 58.593 58.593 60.996 -2.403 18220 746 1 2 . 1 1 53 53 TYR CB C 44 38.192 38.192 38.678 -0.486 18220 747 1 2 . 1 1 53 53 TYR H H 44 7.920 7.920 7.818 0.102 18220 748 1 2 . 1 1 54 54 ARG N N 45 119.516 119.516 120.161 -0.645 18220 749 1 2 . 1 1 54 54 ARG HA H 45 3.930 3.930 4.123 -0.193 18220 750 1 2 . 1 1 54 54 ARG C C 45 174.423 174.423 178.103 -3.680 18220 751 1 2 . 1 1 54 54 ARG CA C 45 56.027 56.027 58.504 -2.477 18220 752 1 2 . 1 1 54 54 ARG CB C 45 30.173 30.173 30.319 -0.146 18220 753 1 2 . 1 1 54 54 ARG H H 45 7.956 7.956 7.913 0.043 18220 754 1 2 . 1 1 55 55 VAL N N 46 116.437 116.437 119.899 -3.462 18220 755 1 2 . 1 1 55 55 VAL HA H 46 4.060 4.060 3.779 0.281 18220 756 1 2 . 1 1 55 55 VAL C C 46 173.806 173.806 176.347 -2.541 18220 757 1 2 . 1 1 55 55 VAL CA C 46 62.300 62.300 64.945 -2.645 18220 758 1 2 . 1 1 55 55 VAL CB C 46 31.521 31.521 32.061 -0.540 18220 759 1 2 . 1 1 55 55 VAL H H 46 7.489 7.489 8.023 -0.534 18220 760 1 2 . 1 1 56 56 SER N N 47 117.185 117.185 113.872 3.313 18220 761 1 2 . 1 1 56 56 SER HA H 47 4.401 4.401 4.199 0.202 18220 762 1 2 . 1 1 56 56 SER C C 47 172.074 172.074 173.437 -1.363 18220 763 1 2 . 1 1 56 56 SER CA C 47 58.133 58.133 59.394 -1.261 18220 764 1 2 . 1 1 56 56 SER CB C 47 63.468 63.468 62.896 0.572 18220 765 1 2 . 1 1 56 56 SER H H 47 7.728 7.728 7.599 0.129 18220 766 1 2 . 1 1 57 57 ASN N N 48 121.049 121.049 124.113 -3.064 18220 767 1 2 . 1 1 57 57 ASN HA H 48 4.590 4.590 4.666 -0.076 18220 768 1 2 . 1 1 57 57 ASN CA C 48 53.600 53.600 53.317 0.283 18220 769 1 2 . 1 1 57 57 ASN CB C 48 38.641 38.641 39.422 -0.781 18220 770 1 2 . 1 1 57 57 ASN H H 48 8.228 8.228 8.605 -0.377 18220 771 1 2 . 1 1 58 58 ASP N N 49 120.276 120.276 121.658 -1.382 18220 772 1 2 . 1 1 58 58 ASP HA H 49 4.530 4.530 4.398 0.132 18220 773 1 2 . 1 1 58 58 ASP CA C 49 54.202 54.202 54.868 -0.666 18220 774 1 2 . 1 1 58 58 ASP CB C 49 40.374 40.374 40.846 -0.472 18220 775 1 2 . 1 1 58 58 ASP H H 49 8.192 8.192 8.025 0.167 18220 776 1 2 . 1 1 59 59 LYS N N 50 120.660 120.660 122.946 -2.286 18220 777 1 2 . 1 1 59 59 LYS HA H 50 4.200 4.200 4.408 -0.208 18220 778 1 2 . 1 1 59 59 LYS C C 50 173.474 173.474 175.176 -1.702 18220 779 1 2 . 1 1 59 59 LYS CA C 50 56.300 56.300 56.259 0.041 18220 780 1 2 . 1 1 59 59 LYS CB C 50 32.034 32.034 33.963 -1.929 18220 781 1 2 . 1 1 59 59 LYS H H 50 8.003 8.003 8.148 -0.145 18220 782 1 2 . 1 1 60 60 ARG N N 51 121.278 121.278 123.746 -2.468 18220 783 1 2 . 1 1 60 60 ARG HA H 51 4.200 4.200 4.406 -0.206 18220 784 1 2 . 1 1 60 60 ARG C C 51 173.303 173.303 175.696 -2.393 18220 785 1 2 . 1 1 60 60 ARG CA C 51 56.283 56.283 57.474 -1.191 18220 786 1 2 . 1 1 60 60 ARG CB C 51 30.238 30.238 30.881 -0.643 18220 787 1 2 . 1 1 60 60 ARG H H 51 8.091 8.091 8.502 -0.411 18220 788 1 2 . 1 1 61 61 ASP N N 52 121.185 121.185 115.832 5.353 18220 789 1 2 . 1 1 61 61 ASP HA H 52 4.615 4.615 4.510 0.105 18220 790 1 2 . 1 1 61 61 ASP C C 52 173.777 173.777 175.036 -1.259 18220 791 1 2 . 1 1 61 61 ASP CA C 52 53.979 53.979 54.435 -0.457 18220 792 1 2 . 1 1 61 61 ASP CB C 52 40.245 40.245 42.142 -1.897 18220 793 1 2 . 1 1 61 61 ASP H H 52 8.261 8.261 7.845 0.416 18220 794 1 2 . 1 1 62 62 VAL N N 53 121.902 121.902 115.705 6.197 18220 795 1 2 . 1 1 62 62 VAL HA H 53 3.950 3.950 4.477 -0.527 18220 796 1 2 . 1 1 62 62 VAL C C 53 173.279 173.279 175.144 -1.865 18220 797 1 2 . 1 1 62 62 VAL CA C 53 63.176 63.176 62.018 1.158 18220 798 1 2 . 1 1 62 62 VAL CB C 53 32.099 32.099 32.774 -0.675 18220 799 1 2 . 1 1 62 62 VAL H H 53 7.997 7.997 7.686 0.311 18220 800 1 2 . 1 1 63 63 LYS N N 54 123.522 123.522 122.296 1.226 18220 801 1 2 . 1 1 63 63 LYS HA H 54 4.260 4.260 4.172 0.088 18220 802 1 2 . 1 1 63 63 LYS C C 54 174.481 174.481 178.116 -3.635 18220 803 1 2 . 1 1 63 63 LYS CA C 54 56.347 56.347 58.930 -2.583 18220 804 1 2 . 1 1 63 63 LYS CB C 54 32.099 32.099 32.313 -0.214 18220 805 1 2 . 1 1 63 63 LYS H H 54 8.054 8.054 8.140 -0.086 18220 806 1 2 . 1 1 64 64 VAL N N 55 120.647 120.647 119.752 0.895 18220 807 1 2 . 1 1 64 64 VAL HA H 55 3.947 3.947 3.647 0.300 18220 808 1 2 . 1 1 64 64 VAL C C 55 174.955 174.955 177.110 -2.155 18220 809 1 2 . 1 1 64 64 VAL CA C 55 64.600 64.600 66.600 -2.000 18220 810 1 2 . 1 1 64 64 VAL CB C 55 31.877 31.877 31.607 0.270 18220 811 1 2 . 1 1 64 64 VAL H H 55 8.225 8.225 8.196 0.029 18220 812 1 2 . 1 1 65 65 SER N N 56 117.785 117.785 113.947 3.838 18220 813 1 2 . 1 1 65 65 SER HA H 56 4.390 4.390 4.192 0.198 18220 814 1 2 . 1 1 65 65 SER C C 56 172.300 172.300 176.691 -4.391 18220 815 1 2 . 1 1 65 65 SER CA C 56 60.000 60.000 62.186 -2.186 18220 816 1 2 . 1 1 65 65 SER CB C 56 62.879 62.879 62.361 0.518 18220 817 1 2 . 1 1 65 65 SER H H 56 8.260 8.260 8.280 -0.020 18220 818 1 2 . 1 1 66 66 LEU N N 57 123.318 123.318 122.320 0.998 18220 819 1 2 . 1 1 66 66 LEU HA H 57 4.090 4.090 4.104 -0.014 18220 820 1 2 . 1 1 66 66 LEU C C 57 175.932 175.932 178.461 -2.529 18220 821 1 2 . 1 1 66 66 LEU CA C 57 57.502 57.502 57.935 -0.433 18220 822 1 2 . 1 1 66 66 LEU CB C 57 41.721 41.721 41.873 -0.152 18220 823 1 2 . 1 1 66 66 LEU H H 57 8.091 8.091 7.730 0.361 18220 824 1 2 . 1 1 67 67 PHE N N 58 118.020 118.020 119.003 -0.983 18220 825 1 2 . 1 1 67 67 PHE HA H 58 4.330 4.330 4.384 -0.054 18220 826 1 2 . 1 1 67 67 PHE C C 58 174.912 174.912 177.584 -2.672 18220 827 1 2 . 1 1 67 67 PHE CA C 58 60.600 60.600 60.986 -0.386 18220 828 1 2 . 1 1 67 67 PHE CB C 58 38.552 38.552 38.778 -0.226 18220 829 1 2 . 1 1 67 67 PHE H H 58 8.066 8.066 8.499 -0.433 18220 830 1 2 . 1 1 68 68 THR N N 59 115.324 115.324 116.916 -1.592 18220 831 1 2 . 1 1 68 68 THR HA H 59 4.310 4.310 4.006 0.304 18220 832 1 2 . 1 1 68 68 THR C C 59 173.380 173.380 176.538 -3.158 18220 833 1 2 . 1 1 68 68 THR CA C 59 66.313 66.313 67.504 -1.191 18220 834 1 2 . 1 1 68 68 THR CB C 59 67.700 67.700 68.807 -1.107 18220 835 1 2 . 1 1 68 68 THR H H 59 8.287 8.287 8.297 -0.010 18220 836 1 2 . 1 1 69 69 ALA N N 60 123.621 123.621 124.493 -0.872 18220 837 1 2 . 1 1 69 69 ALA HA H 60 4.280 4.280 4.194 0.086 18220 838 1 2 . 1 1 69 69 ALA C C 60 176.978 176.978 179.519 -2.541 18220 839 1 2 . 1 1 69 69 ALA CA C 60 55.100 55.100 55.128 -0.028 18220 840 1 2 . 1 1 69 69 ALA CB C 60 17.728 17.728 18.090 -0.362 18220 841 1 2 . 1 1 69 69 ALA H H 60 7.983 7.983 8.309 -0.326 18220 842 1 2 . 1 1 70 70 PHE N N 61 118.520 118.520 120.879 -2.359 18220 843 1 2 . 1 1 70 70 PHE HA H 61 4.260 4.260 4.156 0.104 18220 844 1 2 . 1 1 70 70 PHE C C 61 175.369 175.369 177.134 -1.765 18220 845 1 2 . 1 1 70 70 PHE CA C 61 60.179 60.179 61.297 -1.118 18220 846 1 2 . 1 1 70 70 PHE CB C 61 38.706 38.706 39.078 -0.372 18220 847 1 2 . 1 1 70 70 PHE H H 61 8.007 8.007 8.350 -0.343 18220 848 1 2 . 1 1 71 71 PHE N N 62 122.314 122.314 118.257 4.057 18220 849 1 2 . 1 1 71 71 PHE HA H 62 4.000 4.000 3.835 0.165 18220 850 1 2 . 1 1 71 71 PHE C C 62 174.697 174.697 177.832 -3.135 18220 851 1 2 . 1 1 71 71 PHE CA C 62 60.517 60.517 61.659 -1.142 18220 852 1 2 . 1 1 71 71 PHE CB C 62 38.770 38.770 38.441 0.330 18220 853 1 2 . 1 1 71 71 PHE H H 62 8.546 8.546 8.347 0.199 18220 854 1 2 . 1 1 72 72 LEU N N 63 119.399 119.399 121.501 -2.102 18220 855 1 2 . 1 1 72 72 LEU HA H 63 3.870 3.870 3.850 0.020 18220 856 1 2 . 1 1 72 72 LEU C C 63 175.774 175.774 178.062 -2.288 18220 857 1 2 . 1 1 72 72 LEU CA C 63 56.925 56.925 58.641 -1.716 18220 858 1 2 . 1 1 72 72 LEU CB C 63 41.207 41.207 41.776 -0.569 18220 859 1 2 . 1 1 72 72 LEU H H 63 8.396 8.396 8.555 -0.159 18220 860 1 2 . 1 1 73 73 ALA N N 64 120.221 120.221 120.067 0.154 18220 861 1 2 . 1 1 73 73 ALA HA H 64 3.960 3.960 3.841 0.119 18220 862 1 2 . 1 1 73 73 ALA C C 64 177.267 177.267 179.637 -2.370 18220 863 1 2 . 1 1 73 73 ALA CA C 64 54.600 54.600 55.326 -0.726 18220 864 1 2 . 1 1 73 73 ALA CB C 64 17.784 17.784 18.065 -0.281 18220 865 1 2 . 1 1 73 73 ALA H H 64 8.025 8.025 8.202 -0.177 18220 866 1 2 . 1 1 74 74 THR N N 65 113.648 113.648 114.337 -0.689 18220 867 1 2 . 1 1 74 74 THR HA H 65 3.980 3.980 3.822 0.158 18220 868 1 2 . 1 1 74 74 THR CA C 65 66.291 66.291 66.463 -0.172 18220 869 1 2 . 1 1 74 74 THR CB C 65 67.914 67.914 68.323 -0.409 18220 870 1 2 . 1 1 74 74 THR H H 65 7.717 7.717 8.033 -0.316 18220 871 1 2 . 1 1 75 75 ILE N N 66 120.291 120.291 119.449 0.842 18220 872 1 2 . 1 1 75 75 ILE HA H 66 3.740 3.740 3.692 0.048 18220 873 1 2 . 1 1 75 75 ILE C C 66 174.951 174.951 176.760 -1.809 18220 874 1 2 . 1 1 75 75 ILE CA C 66 64.880 64.880 63.669 1.211 18220 875 1 2 . 1 1 75 75 ILE CB C 66 37.166 37.166 38.089 -0.923 18220 876 1 2 . 1 1 75 75 ILE H H 66 7.738 7.738 7.933 -0.195 18220 877 1 2 . 1 1 76 76 MET N N 67 117.618 117.618 119.320 -1.702 18220 878 1 2 . 1 1 76 76 MET HA H 67 4.220 4.220 4.420 -0.200 18220 879 1 2 . 1 1 76 76 MET C C 67 175.142 175.142 177.537 -2.395 18220 880 1 2 . 1 1 76 76 MET CA C 67 56.723 56.723 56.356 0.367 18220 881 1 2 . 1 1 76 76 MET CB C 67 31.951 31.951 33.423 -1.472 18220 882 1 2 . 1 1 76 76 MET H H 67 7.823 7.823 7.940 -0.117 18220 883 1 2 . 1 1 77 77 GLY N N 68 107.110 107.110 108.002 -0.892 18220 884 1 2 . 1 1 77 77 GLY C C 68 172.260 172.260 173.932 -1.672 18220 885 1 2 . 1 1 77 77 GLY CA C 68 45.800 45.800 46.296 -0.496 18220 886 1 2 . 1 1 77 77 GLY H H 68 7.937 7.937 8.196 -0.259 18220 887 1 2 . 1 1 78 78 VAL N N 69 120.431 120.431 117.238 3.193 18220 888 1 2 . 1 1 78 78 VAL HA H 69 4.220 4.220 4.182 0.038 18220 889 1 2 . 1 1 78 78 VAL CA C 69 63.900 63.900 61.271 2.629 18220 890 1 2 . 1 1 78 78 VAL CB C 69 31.506 31.506 32.705 -1.199 18220 891 1 2 . 1 1 78 78 VAL H H 69 7.697 7.697 7.588 0.109 18220 892 1 2 . 1 1 79 79 ARG N N 70 121.420 121.420 124.138 -2.718 18220 893 1 2 . 1 1 79 79 ARG HA H 70 3.810 3.810 4.548 -0.738 18220 894 1 2 . 1 1 79 79 ARG CA C 70 56.400 56.400 55.604 0.796 18220 895 1 2 . 1 1 79 79 ARG CB C 70 30.097 30.097 30.005 0.092 18220 896 1 2 . 1 1 79 79 ARG H H 70 7.889 7.889 8.224 -0.335 18220 897 1 2 . 1 1 80 80 PHE N N 71 119.949 119.949 118.871 1.078 18220 898 1 2 . 1 1 80 80 PHE HA H 71 4.510 4.510 4.150 0.360 18220 899 1 2 . 1 1 80 80 PHE CA C 71 58.600 58.600 58.544 0.056 18220 900 1 2 . 1 1 80 80 PHE CB C 71 39.145 39.145 38.554 0.591 18220 901 1 2 . 1 1 80 80 PHE H H 71 8.101 8.101 8.178 -0.077 18220 902 1 2 . 1 1 81 81 LYS N N 72 122.193 122.193 119.185 3.008 18220 903 1 2 . 1 1 81 81 LYS CA C 72 56.800 56.800 55.931 0.869 18220 904 1 2 . 1 1 81 81 LYS CB C 72 32.322 32.322 33.246 -0.924 18220 905 1 2 . 1 1 81 81 LYS H H 72 8.090 8.090 7.833 0.257 18220 906 1 2 . 1 1 82 82 ARG N N 73 119.650 119.650 116.749 2.901 18220 907 1 2 . 1 1 82 82 ARG CA C 73 56.089 56.089 57.848 -1.759 18220 908 1 2 . 1 1 82 82 ARG CB C 73 30.171 30.171 29.381 0.790 18220 909 1 2 . 1 1 82 82 ARG H H 73 8.052 8.052 8.787 -0.735 18220 910 1 2 . 1 1 83 83 SER N N 74 115.734 115.734 118.727 -2.993 18220 911 1 2 . 1 1 83 83 SER CA C 74 58.355 58.355 59.392 -1.037 18220 912 1 2 . 1 1 83 83 SER CB C 74 63.404 63.404 63.732 -0.328 18220 913 1 2 . 1 1 83 83 SER H H 74 7.912 7.912 8.294 -0.382 18220 914 1 2 . 1 1 84 84 LYS N N 75 122.370 122.370 122.007 0.363 18220 915 1 2 . 1 1 84 84 LYS CA C 75 56.135 56.135 57.115 -0.980 18220 916 1 2 . 1 1 84 84 LYS CB C 75 32.175 32.175 31.884 0.291 18220 917 1 2 . 1 1 84 84 LYS H H 75 8.067 8.067 8.698 -0.631 18220 918 1 2 . 1 1 86 86 ILE N N 77 119.592 119.592 124.323 -4.731 18220 919 1 2 . 1 1 86 86 ILE HA H 77 3.810 3.810 3.940 -0.130 18220 920 1 2 . 1 1 86 86 ILE CA C 77 64.900 64.900 62.585 2.315 18220 921 1 2 . 1 1 86 86 ILE CB C 77 39.145 39.145 37.140 2.005 18220 922 1 2 . 1 1 86 86 ILE H H 77 7.837 7.837 8.627 -0.790 18220 923 1 2 . 1 1 87 87 MET N N 78 121.645 121.645 123.030 -1.385 18220 924 1 2 . 1 1 87 87 MET CA C 78 52.982 52.982 53.642 -0.660 18220 925 1 2 . 1 1 87 87 MET CB C 78 32.173 32.173 36.546 -4.373 18220 926 1 2 . 1 1 87 87 MET H H 78 7.950 7.950 8.279 -0.329 18220 927 1 2 . 1 1 88 88 PRO HA H 79 4.140 4.140 4.750 -0.610 18220 928 1 2 . 1 1 88 88 PRO C C 79 173.921 173.921 176.515 -2.594 18220 929 1 2 . 1 1 88 88 PRO CA C 79 62.800 62.800 62.840 -0.040 18220 930 1 2 . 1 1 88 88 PRO CB C 79 31.136 31.136 31.754 -0.618 18220 931 1 2 . 1 1 89 89 ALA N N 80 124.431 124.431 130.120 -5.689 18220 932 1 2 . 1 1 89 89 ALA HA H 80 4.400 4.400 4.022 0.378 18220 933 1 2 . 1 1 89 89 ALA C C 80 176.234 176.234 179.031 -2.797 18220 934 1 2 . 1 1 89 89 ALA CA C 80 53.300 53.300 55.382 -2.082 18220 935 1 2 . 1 1 89 89 ALA CB C 80 18.498 18.498 18.573 -0.075 18220 936 1 2 . 1 1 89 89 ALA H H 80 8.320 8.320 8.149 0.171 18220 937 1 2 . 1 1 90 90 GLY N N 81 106.834 106.834 107.776 -0.942 18220 938 1 2 . 1 1 90 90 GLY C C 81 172.398 172.398 176.260 -3.862 18220 939 1 2 . 1 1 90 90 GLY CA C 81 45.600 45.600 46.966 -1.366 18220 940 1 2 . 1 1 90 90 GLY H H 81 8.458 8.458 8.560 -0.102 18220 941 1 2 . 1 1 91 91 LEU N N 82 121.043 121.043 122.656 -1.613 18220 942 1 2 . 1 1 91 91 LEU HA H 82 4.200 4.200 3.962 0.238 18220 943 1 2 . 1 1 91 91 LEU C C 82 174.783 174.783 178.568 -3.785 18220 944 1 2 . 1 1 91 91 LEU CA C 82 56.300 56.300 58.011 -1.711 18220 945 1 2 . 1 1 91 91 LEU CB C 82 42.106 42.106 42.104 0.002 18220 946 1 2 . 1 1 91 91 LEU H H 82 7.687 7.687 8.207 -0.520 18220 947 1 2 . 1 1 92 92 VAL N N 83 114.737 114.737 118.292 -3.555 18220 948 1 2 . 1 1 92 92 VAL HA H 83 3.980 3.980 3.523 0.457 18220 949 1 2 . 1 1 92 92 VAL C C 83 173.634 173.634 177.802 -4.168 18220 950 1 2 . 1 1 92 92 VAL CA C 83 62.400 62.400 66.142 -3.742 18220 951 1 2 . 1 1 92 92 VAL CB C 83 31.585 31.585 31.232 0.353 18220 952 1 2 . 1 1 92 92 VAL H H 83 7.602 7.602 7.809 -0.207 18220 953 1 2 . 1 1 93 93 ALA N N 84 124.320 124.320 121.418 2.902 18220 954 1 2 . 1 1 93 93 ALA HA H 84 4.150 4.150 4.153 -0.003 18220 955 1 2 . 1 1 93 93 ALA C C 84 175.746 175.746 179.729 -3.983 18220 956 1 2 . 1 1 93 93 ALA CA C 84 53.300 53.300 55.179 -1.879 18220 957 1 2 . 1 1 93 93 ALA CB C 84 18.241 18.241 18.038 0.203 18220 958 1 2 . 1 1 93 93 ALA H H 84 7.891 7.891 8.205 -0.314 18220 959 1 2 . 1 1 94 94 GLY N N 85 106.807 106.807 108.667 -1.860 18220 960 1 2 . 1 1 94 94 GLY C C 85 171.752 171.752 175.939 -4.187 18220 961 1 2 . 1 1 94 94 GLY CA C 85 45.249 45.249 46.874 -1.625 18220 962 1 2 . 1 1 94 94 GLY H H 85 8.204 8.204 8.070 0.134 18220 963 1 2 . 1 1 95 95 LEU N N 86 121.266 121.266 122.749 -1.483 18220 964 1 2 . 1 1 95 95 LEU HA H 86 4.380 4.380 4.070 0.310 18220 965 1 2 . 1 1 95 95 LEU C C 86 173.702 173.702 179.013 -5.311 18220 966 1 2 . 1 1 95 95 LEU CA C 86 55.000 55.000 57.698 -2.698 18220 967 1 2 . 1 1 95 95 LEU CB C 86 42.298 42.298 41.050 1.248 18220 968 1 2 . 1 1 95 95 LEU H H 86 7.718 7.718 8.663 -0.945 18220 969 1 2 . 1 1 96 96 SER N N 87 115.658 115.658 115.154 0.504 18220 970 1 2 . 1 1 96 96 SER HA H 87 4.370 4.370 4.142 0.228 18220 971 1 2 . 1 1 96 96 SER C C 87 172.479 172.479 176.715 -4.236 18220 972 1 2 . 1 1 96 96 SER CA C 87 57.200 57.200 62.313 -5.113 18220 973 1 2 . 1 1 96 96 SER CB C 87 64.174 64.174 63.097 1.077 18220 974 1 2 . 1 1 96 96 SER H H 87 7.659 7.659 8.033 -0.374 18220 975 1 2 . 1 1 97 97 LEU N N 88 123.720 123.720 122.596 1.124 18220 976 1 2 . 1 1 97 97 LEU HA H 88 4.600 4.600 3.888 0.712 18220 977 1 2 . 1 1 97 97 LEU C C 88 175.932 175.932 178.906 -2.974 18220 978 1 2 . 1 1 97 97 LEU CA C 88 57.600 57.600 58.366 -0.766 18220 979 1 2 . 1 1 97 97 LEU CB C 88 41.400 41.400 42.111 -0.711 18220 980 1 2 . 1 1 97 97 LEU H H 88 8.733 8.733 7.991 0.742 18220 981 1 2 . 1 1 98 98 MET N N 89 116.684 116.684 117.435 -0.751 18220 982 1 2 . 1 1 98 98 MET HA H 89 4.280 4.280 4.010 0.270 18220 983 1 2 . 1 1 98 98 MET C C 89 175.789 175.789 178.500 -2.711 18220 984 1 2 . 1 1 98 98 MET CA C 89 56.915 56.915 59.271 -2.356 18220 985 1 2 . 1 1 98 98 MET CB C 89 31.007 31.007 32.490 -1.483 18220 986 1 2 . 1 1 98 98 MET H H 89 8.342 8.342 8.174 0.168 18220 987 1 2 . 1 1 99 99 MET N N 90 119.182 119.182 119.732 -0.550 18220 988 1 2 . 1 1 99 99 MET HA H 90 4.110 4.110 4.064 0.046 18220 989 1 2 . 1 1 99 99 MET C C 90 175.588 175.588 178.713 -3.125 18220 990 1 2 . 1 1 99 99 MET CA C 90 57.951 57.951 58.688 -0.737 18220 991 1 2 . 1 1 99 99 MET CB C 90 32.226 32.226 31.944 0.282 18220 992 1 2 . 1 1 99 99 MET H H 90 7.720 7.720 7.934 -0.214 18220 993 1 2 . 1 1 100 100 ILE N N 91 119.077 119.077 119.405 -0.328 18220 994 1 2 . 1 1 100 100 ILE HA H 91 4.110 4.110 3.621 0.489 18220 995 1 2 . 1 1 100 100 ILE C C 91 174.634 174.634 178.182 -3.548 18220 996 1 2 . 1 1 100 100 ILE CA C 91 64.100 64.100 65.407 -1.307 18220 997 1 2 . 1 1 100 100 ILE CB C 91 37.143 37.143 37.487 -0.344 18220 998 1 2 . 1 1 100 100 ILE H H 91 7.662 7.662 8.171 -0.509 18220 999 1 2 . 1 1 101 101 LEU N N 92 119.646 119.646 119.385 0.261 18220 1000 1 2 . 1 1 101 101 LEU HA H 92 4.530 4.530 3.962 0.568 18220 1001 1 2 . 1 1 101 101 LEU C C 92 175.430 175.430 179.440 -4.010 18220 1002 1 2 . 1 1 101 101 LEU CA C 92 57.800 57.800 58.187 -0.387 18220 1003 1 2 . 1 1 101 101 LEU CB C 92 40.758 40.758 40.940 -0.182 18220 1004 1 2 . 1 1 101 101 LEU H H 92 8.142 8.142 8.010 0.132 18220 1005 1 2 . 1 1 102 102 ARG N N 93 116.394 116.394 118.229 -1.835 18220 1006 1 2 . 1 1 102 102 ARG HA H 93 4.140 4.140 4.104 0.036 18220 1007 1 2 . 1 1 102 102 ARG C C 93 175.961 175.961 178.581 -2.620 18220 1008 1 2 . 1 1 102 102 ARG CA C 93 59.100 59.100 58.934 0.167 18220 1009 1 2 . 1 1 102 102 ARG CB C 93 29.404 29.404 29.967 -0.563 18220 1010 1 2 . 1 1 102 102 ARG H H 93 7.893 7.893 8.137 -0.244 18220 1011 1 2 . 1 1 103 103 LEU N N 94 119.114 119.114 121.270 -2.156 18220 1012 1 2 . 1 1 103 103 LEU HA H 94 4.110 4.110 3.991 0.119 18220 1013 1 2 . 1 1 103 103 LEU C C 94 175.889 175.889 179.286 -3.397 18220 1014 1 2 . 1 1 103 103 LEU CA C 94 57.300 57.300 58.574 -1.274 18220 1015 1 2 . 1 1 103 103 LEU CB C 94 41.296 41.296 41.947 -0.651 18220 1016 1 2 . 1 1 103 103 LEU H H 94 7.622 7.622 8.054 -0.432 18220 1017 1 2 . 1 1 104 104 VAL N N 95 117.704 117.704 115.654 2.050 18220 1018 1 2 . 1 1 104 104 VAL HA H 95 3.530 3.530 3.734 -0.204 18220 1019 1 2 . 1 1 104 104 VAL C C 95 175.042 175.042 177.622 -2.580 18220 1020 1 2 . 1 1 104 104 VAL CA C 95 66.419 66.419 65.892 0.527 18220 1021 1 2 . 1 1 104 104 VAL CB C 95 31.357 31.357 31.677 -0.320 18220 1022 1 2 . 1 1 104 104 VAL H H 95 8.026 8.026 7.512 0.514 18220 1023 1 2 . 1 1 105 105 LEU N N 96 117.185 117.185 121.938 -4.753 18220 1024 1 2 . 1 1 105 105 LEU HA H 96 3.980 3.980 3.934 0.046 18220 1025 1 2 . 1 1 105 105 LEU C C 96 176.579 176.579 179.332 -2.753 18220 1026 1 2 . 1 1 105 105 LEU CA C 96 56.800 56.800 57.763 -0.963 18220 1027 1 2 . 1 1 105 105 LEU CB C 96 40.951 40.951 40.679 0.272 18220 1028 1 2 . 1 1 105 105 LEU H H 96 7.893 7.893 7.703 0.190 18220 1029 1 2 . 1 1 106 106 LEU N N 97 118.471 118.471 119.961 -1.490 18220 1030 1 2 . 1 1 106 106 LEU HA H 97 4.180 4.180 3.944 0.236 18220 1031 1 2 . 1 1 106 106 LEU C C 97 175.802 175.802 178.886 -3.084 18220 1032 1 2 . 1 1 106 106 LEU CA C 97 56.300 56.300 57.828 -1.528 18220 1033 1 2 . 1 1 106 106 LEU CB C 97 41.592 41.592 40.780 0.812 18220 1034 1 2 . 1 1 106 106 LEU H H 97 7.545 7.545 8.035 -0.490 18220 1035 1 2 . 1 1 107 107 LEU N N 98 118.162 118.162 118.790 -0.628 18220 1036 1 2 . 1 1 107 107 LEU HA H 98 4.230 4.230 4.118 0.112 18220 1037 1 2 . 1 1 107 107 LEU C C 98 174.174 174.174 177.888 -3.714 18220 1038 1 2 . 1 1 107 107 LEU CA C 98 56.283 56.283 56.559 -0.276 18220 1039 1 2 . 1 1 107 107 LEU CB C 98 42.362 42.362 41.842 0.520 18220 1040 1 2 . 1 1 107 107 LEU H H 98 7.688 7.688 8.265 -0.577 18220 1041 1 3 . 1 1 11 11 ASP N N 2 120.536 120.536 120.889 -0.353 18220 1042 1 3 . 1 1 11 11 ASP CA C 2 55.918 55.918 54.482 1.436 18220 1043 1 3 . 1 1 11 11 ASP CB C 2 37.959 37.959 42.197 -4.238 18220 1044 1 3 . 1 1 11 11 ASP H H 2 7.863 7.863 8.264 -0.401 18220 1045 1 3 . 1 1 12 12 LEU N N 3 121.414 121.414 124.016 -2.602 18220 1046 1 3 . 1 1 12 12 LEU C C 3 176.162 176.162 176.187 -0.025 18220 1047 1 3 . 1 1 12 12 LEU CA C 3 57.600 57.600 55.673 1.927 18220 1048 1 3 . 1 1 12 12 LEU CB C 3 41.657 41.657 41.113 0.544 18220 1049 1 3 . 1 1 12 12 LEU H H 3 8.285 8.285 7.972 0.313 18220 1050 1 3 . 1 1 13 13 ILE N N 4 118.854 118.854 120.916 -2.062 18220 1051 1 3 . 1 1 13 13 ILE HA H 4 3.740 3.740 4.263 -0.523 18220 1052 1 3 . 1 1 13 13 ILE C C 4 175.228 175.228 174.990 0.238 18220 1053 1 3 . 1 1 13 13 ILE CA C 4 64.500 64.500 60.433 4.067 18220 1054 1 3 . 1 1 13 13 ILE CB C 4 37.102 37.102 42.011 -4.909 18220 1055 1 3 . 1 1 13 13 ILE H H 4 8.031 8.031 8.220 -0.189 18220 1056 1 3 . 1 1 14 14 GLY N N 5 107.478 107.478 111.294 -3.816 18220 1057 1 3 . 1 1 14 14 GLY C C 5 174.424 174.424 175.060 -0.636 18220 1058 1 3 . 1 1 14 14 GLY CA C 5 47.059 47.059 45.662 1.397 18220 1059 1 3 . 1 1 14 14 GLY H H 5 8.148 8.148 8.293 -0.145 18220 1060 1 3 . 1 1 15 15 PHE N N 6 122.774 122.774 124.442 -1.668 18220 1061 1 3 . 1 1 15 15 PHE HA H 6 4.480 4.480 4.448 0.032 18220 1062 1 3 . 1 1 15 15 PHE C C 6 175.113 175.113 177.660 -2.547 18220 1063 1 3 . 1 1 15 15 PHE CA C 6 60.017 60.017 60.619 -0.602 18220 1064 1 3 . 1 1 15 15 PHE CB C 6 38.774 38.774 39.501 -0.727 18220 1065 1 3 . 1 1 15 15 PHE H H 6 8.194 8.194 8.777 -0.583 18220 1066 1 3 . 1 1 16 16 GLY N N 7 107.938 107.938 108.169 -0.231 18220 1067 1 3 . 1 1 16 16 GLY C C 7 171.838 171.838 175.902 -4.064 18220 1068 1 3 . 1 1 16 16 GLY CA C 7 47.100 47.100 47.691 -0.591 18220 1069 1 3 . 1 1 16 16 GLY H H 7 8.697 8.697 8.595 0.102 18220 1070 1 3 . 1 1 17 17 TYR N N 8 121.785 121.785 122.259 -0.474 18220 1071 1 3 . 1 1 17 17 TYR HA H 8 4.150 4.150 4.142 0.008 18220 1072 1 3 . 1 1 17 17 TYR C C 8 174.180 174.180 178.070 -3.890 18220 1073 1 3 . 1 1 17 17 TYR CA C 8 61.300 61.300 61.201 0.099 18220 1074 1 3 . 1 1 17 17 TYR CB C 8 37.959 37.959 37.964 -0.005 18220 1075 1 3 . 1 1 17 17 TYR H H 8 8.710 8.710 8.318 0.392 18220 1076 1 3 . 1 1 18 18 ALA N N 9 120.233 120.233 120.216 0.017 18220 1077 1 3 . 1 1 18 18 ALA HA H 9 3.950 3.950 3.879 0.071 18220 1078 1 3 . 1 1 18 18 ALA C C 9 178.059 178.059 178.814 -0.755 18220 1079 1 3 . 1 1 18 18 ALA CA C 9 54.872 54.872 55.088 -0.216 18220 1080 1 3 . 1 1 18 18 ALA CB C 9 17.562 17.562 17.817 -0.255 18220 1081 1 3 . 1 1 18 18 ALA H H 9 7.843 7.843 8.300 -0.457 18220 1082 1 3 . 1 1 19 19 ALA N N 10 121.797 121.797 121.384 0.413 18220 1083 1 3 . 1 1 19 19 ALA HA H 10 3.950 3.950 4.227 -0.277 18220 1084 1 3 . 1 1 19 19 ALA C C 10 176.191 176.191 179.706 -3.515 18220 1085 1 3 . 1 1 19 19 ALA CA C 10 54.600 54.600 54.589 0.011 18220 1086 1 3 . 1 1 19 19 ALA CB C 10 17.562 17.562 18.273 -0.711 18220 1087 1 3 . 1 1 19 19 ALA H H 10 8.212 8.212 7.807 0.405 18220 1088 1 3 . 1 1 20 20 LEU N N 11 119.442 119.442 120.982 -1.540 18220 1089 1 3 . 1 1 20 20 LEU HA H 11 3.937 3.937 4.069 -0.132 18220 1090 1 3 . 1 1 20 20 LEU C C 11 176.694 176.694 178.733 -2.039 18220 1091 1 3 . 1 1 20 20 LEU CA C 11 57.800 57.800 58.399 -0.599 18220 1092 1 3 . 1 1 20 20 LEU CB C 11 41.222 41.222 42.072 -0.850 18220 1093 1 3 . 1 1 20 20 LEU H H 11 8.065 8.065 8.011 0.054 18220 1094 1 3 . 1 1 21 21 VAL N N 12 118.323 118.323 115.155 3.168 18220 1095 1 3 . 1 1 21 21 VAL HA H 12 3.640 3.640 3.621 0.019 18220 1096 1 3 . 1 1 21 21 VAL C C 12 176.536 176.536 178.002 -1.466 18220 1097 1 3 . 1 1 21 21 VAL CA C 12 65.400 65.400 66.703 -1.303 18220 1098 1 3 . 1 1 21 21 VAL CB C 12 31.135 31.135 31.261 -0.126 18220 1099 1 3 . 1 1 21 21 VAL H H 12 8.051 8.051 8.291 -0.240 18220 1100 1 3 . 1 1 22 22 THR N N 13 118.298 118.298 118.203 0.095 18220 1101 1 3 . 1 1 22 22 THR HA H 13 4.660 4.660 3.971 0.689 18220 1102 1 3 . 1 1 22 22 THR C C 13 173.734 173.734 176.512 -2.778 18220 1103 1 3 . 1 1 22 22 THR CA C 13 66.300 66.300 67.685 -1.385 18220 1104 1 3 . 1 1 22 22 THR CB C 13 67.775 67.775 68.815 -1.040 18220 1105 1 3 . 1 1 22 22 THR H H 13 7.944 7.944 7.882 0.062 18220 1106 1 3 . 1 1 23 23 PHE N N 14 121.328 121.328 121.800 -0.472 18220 1107 1 3 . 1 1 23 23 PHE HA H 14 4.340 4.340 4.166 0.174 18220 1108 1 3 . 1 1 23 23 PHE C C 14 174.783 174.783 177.678 -2.895 18220 1109 1 3 . 1 1 23 23 PHE CA C 14 60.500 60.500 62.100 -1.600 18220 1110 1 3 . 1 1 23 23 PHE CB C 14 38.626 38.626 38.958 -0.332 18220 1111 1 3 . 1 1 23 23 PHE H H 14 8.567 8.567 8.559 0.008 18220 1112 1 3 . 1 1 24 24 GLY N N 15 106.871 106.871 106.333 0.538 18220 1113 1 3 . 1 1 24 24 GLY C C 15 172.858 172.858 176.205 -3.347 18220 1114 1 3 . 1 1 24 24 GLY CA C 15 46.900 46.900 47.418 -0.518 18220 1115 1 3 . 1 1 24 24 GLY H H 15 8.475 8.475 8.660 -0.185 18220 1116 1 3 . 1 1 25 25 SER N N 16 116.214 116.214 117.402 -1.188 18220 1117 1 3 . 1 1 25 25 SER HA H 16 4.280 4.280 4.088 0.192 18220 1118 1 3 . 1 1 25 25 SER CA C 16 60.300 60.300 61.356 -1.056 18220 1119 1 3 . 1 1 25 25 SER CB C 16 62.879 62.879 63.173 -0.294 18220 1120 1 3 . 1 1 25 25 SER H H 16 7.963 7.963 8.006 -0.043 18220 1121 1 3 . 1 1 26 26 ILE N N 17 121.024 121.024 121.528 -0.504 18220 1122 1 3 . 1 1 26 26 ILE HA H 17 3.946 3.946 3.698 0.248 18220 1123 1 3 . 1 1 26 26 ILE C C 17 173.935 173.935 178.495 -4.560 18220 1124 1 3 . 1 1 26 26 ILE CA C 17 63.100 63.100 65.378 -2.278 18220 1125 1 3 . 1 1 26 26 ILE CB C 17 38.107 38.107 38.007 0.100 18220 1126 1 3 . 1 1 26 26 ILE H H 17 7.676 7.676 8.039 -0.363 18220 1127 1 3 . 1 1 27 27 PHE N N 18 117.142 117.142 120.244 -3.102 18220 1128 1 3 . 1 1 27 27 PHE HA H 18 4.430 4.430 4.206 0.224 18220 1129 1 3 . 1 1 27 27 PHE C C 18 173.504 173.504 177.171 -3.667 18220 1130 1 3 . 1 1 27 27 PHE CA C 18 58.500 58.500 60.893 -2.393 18220 1131 1 3 . 1 1 27 27 PHE CB C 18 38.774 38.774 38.988 -0.214 18220 1132 1 3 . 1 1 27 27 PHE H H 18 7.703 7.703 8.407 -0.704 18220 1133 1 3 . 1 1 28 28 GLY N N 19 107.303 107.303 104.932 2.371 18220 1134 1 3 . 1 1 28 28 GLY C C 19 171.593 171.593 174.003 -2.410 18220 1135 1 3 . 1 1 28 28 GLY CA C 19 45.600 45.600 45.026 0.574 18220 1136 1 3 . 1 1 28 28 GLY H H 19 7.722 7.722 7.571 0.151 18220 1137 1 3 . 1 1 29 29 TYR N N 20 119.862 119.862 119.622 0.240 18220 1138 1 3 . 1 1 29 29 TYR HA H 20 4.392 4.392 4.141 0.251 18220 1139 1 3 . 1 1 29 29 TYR C C 20 173.174 173.174 175.302 -2.128 18220 1140 1 3 . 1 1 29 29 TYR CA C 20 58.500 58.500 58.873 -0.373 18220 1141 1 3 . 1 1 29 29 TYR CB C 20 38.404 38.404 36.928 1.476 18220 1142 1 3 . 1 1 29 29 TYR H H 20 7.880 7.880 8.048 -0.168 18220 1143 1 3 . 1 1 30 30 LYS N N 21 122.335 122.335 122.150 0.185 18220 1144 1 3 . 1 1 30 30 LYS HA H 21 4.390 4.390 4.469 -0.079 18220 1145 1 3 . 1 1 30 30 LYS C C 21 173.547 173.547 175.562 -2.015 18220 1146 1 3 . 1 1 30 30 LYS CA C 21 55.800 55.800 56.211 -0.411 18220 1147 1 3 . 1 1 30 30 LYS CB C 21 32.396 32.396 33.715 -1.319 18220 1148 1 3 . 1 1 30 30 LYS H H 21 7.934 7.934 8.579 -0.645 18220 1149 1 3 . 1 1 31 31 ARG N N 22 120.612 120.612 119.005 1.607 18220 1150 1 3 . 1 1 31 31 ARG C C 22 173.547 173.547 174.261 -0.714 18220 1151 1 3 . 1 1 31 31 ARG CA C 22 55.834 55.834 55.644 0.190 18220 1152 1 3 . 1 1 31 31 ARG CB C 22 30.101 30.101 32.462 -2.361 18220 1153 1 3 . 1 1 31 31 ARG H H 22 7.905 7.905 7.416 0.489 18220 1154 1 3 . 1 1 32 32 ARG N N 23 121.748 121.748 120.791 0.957 18220 1155 1 3 . 1 1 32 32 ARG HA H 23 4.310 4.310 4.410 -0.100 18220 1156 1 3 . 1 1 32 32 ARG C C 23 173.863 173.863 176.138 -2.275 18220 1157 1 3 . 1 1 32 32 ARG CA C 23 55.800 55.800 55.312 0.488 18220 1158 1 3 . 1 1 32 32 ARG CB C 23 30.245 30.245 30.822 -0.577 18220 1159 1 3 . 1 1 32 32 ARG H H 23 8.175 8.175 8.365 -0.190 18220 1160 1 3 . 1 1 33 33 GLY N N 24 109.528 109.528 109.840 -0.312 18220 1161 1 3 . 1 1 33 33 GLY C C 24 171.752 171.752 174.494 -2.742 18220 1162 1 3 . 1 1 33 33 GLY CA C 24 44.900 44.900 45.340 -0.440 18220 1163 1 3 . 1 1 33 33 GLY H H 24 8.264 8.264 8.614 -0.350 18220 1164 1 3 . 1 1 34 34 GLY N N 25 108.563 108.563 106.554 2.009 18220 1165 1 3 . 1 1 34 34 GLY C C 25 171.701 171.701 174.378 -2.677 18220 1166 1 3 . 1 1 34 34 GLY CA C 25 44.600 44.600 45.123 -0.523 18220 1167 1 3 . 1 1 34 34 GLY H H 25 8.208 8.208 8.250 -0.042 18220 1168 1 3 . 1 1 35 35 VAL N N 26 121.164 121.164 125.205 -4.041 18220 1169 1 3 . 1 1 35 35 VAL HA H 26 4.010 4.010 4.038 -0.028 18220 1170 1 3 . 1 1 35 35 VAL C C 26 175.888 175.888 174.556 1.332 18220 1171 1 3 . 1 1 35 35 VAL CA C 26 63.900 63.900 62.017 1.883 18220 1172 1 3 . 1 1 35 35 VAL CB C 26 30.690 30.690 31.754 -1.064 18220 1173 1 3 . 1 1 35 35 VAL H H 26 8.485 8.485 8.176 0.309 18220 1174 1 3 . 1 1 36 36 PRO C C 27 177.660 177.660 175.802 1.858 18220 1175 1 3 . 1 1 36 36 PRO CA C 27 61.847 61.847 63.212 -1.365 18220 1176 1 3 . 1 1 37 37 SER N N 28 116.023 116.023 114.826 1.197 18220 1177 1 3 . 1 1 37 37 SER HA H 28 4.280 4.280 4.344 -0.064 18220 1178 1 3 . 1 1 37 37 SER CA C 28 61.100 61.100 58.707 2.393 18220 1179 1 3 . 1 1 37 37 SER H H 28 7.948 7.948 8.204 -0.256 18220 1180 1 3 . 1 1 38 38 LEU N N 29 124.029 124.029 125.458 -1.429 18220 1181 1 3 . 1 1 38 38 LEU HA H 29 4.170 4.170 3.970 0.200 18220 1182 1 3 . 1 1 38 38 LEU C C 29 176.132 176.132 178.063 -1.931 18220 1183 1 3 . 1 1 38 38 LEU CA C 29 57.500 57.500 58.225 -0.725 18220 1184 1 3 . 1 1 38 38 LEU CB C 29 42.038 42.038 41.936 0.102 18220 1185 1 3 . 1 1 38 38 LEU H H 29 8.201 8.201 8.311 -0.110 18220 1186 1 3 . 1 1 39 39 ILE N N 30 117.098 117.098 117.449 -0.351 18220 1187 1 3 . 1 1 39 39 ILE HA H 30 4.370 4.370 3.649 0.721 18220 1188 1 3 . 1 1 39 39 ILE C C 30 176.478 176.478 177.905 -1.427 18220 1189 1 3 . 1 1 39 39 ILE CA C 30 63.079 63.079 64.499 -1.420 18220 1190 1 3 . 1 1 39 39 ILE CB C 30 36.973 36.973 36.214 0.759 18220 1191 1 3 . 1 1 39 39 ILE H H 30 7.662 7.662 7.597 0.065 18220 1192 1 3 . 1 1 40 40 ALA N N 31 122.447 122.447 122.010 0.437 18220 1193 1 3 . 1 1 40 40 ALA HA H 31 4.034 4.034 4.104 -0.070 18220 1194 1 3 . 1 1 40 40 ALA C C 31 177.067 177.067 180.029 -2.962 18220 1195 1 3 . 1 1 40 40 ALA CA C 31 55.962 55.962 55.174 0.788 18220 1196 1 3 . 1 1 40 40 ALA CB C 31 17.856 17.856 17.951 -0.095 18220 1197 1 3 . 1 1 40 40 ALA H H 31 8.096 8.096 8.053 0.043 18220 1198 1 3 . 1 1 41 41 GLY N N 32 104.056 104.056 106.746 -2.690 18220 1199 1 3 . 1 1 41 41 GLY C C 32 174.251 174.251 175.900 -1.649 18220 1200 1 3 . 1 1 41 41 GLY CA C 32 46.500 46.500 46.621 -0.121 18220 1201 1 3 . 1 1 41 41 GLY H H 32 8.123 8.123 8.135 -0.012 18220 1202 1 3 . 1 1 42 42 LEU N N 33 123.250 123.250 123.532 -0.282 18220 1203 1 3 . 1 1 42 42 LEU HA H 33 3.857 3.857 4.092 -0.235 18220 1204 1 3 . 1 1 42 42 LEU C C 33 176.033 176.033 178.117 -2.084 18220 1205 1 3 . 1 1 42 42 LEU CA C 33 56.668 56.668 57.560 -0.892 18220 1206 1 3 . 1 1 42 42 LEU CB C 33 41.721 41.721 42.135 -0.413 18220 1207 1 3 . 1 1 42 42 LEU H H 33 7.914 7.914 8.054 -0.140 18220 1208 1 3 . 1 1 43 43 PHE N N 34 119.757 119.757 119.429 0.328 18220 1209 1 3 . 1 1 43 43 PHE HA H 34 4.200 4.200 4.145 0.055 18220 1210 1 3 . 1 1 43 43 PHE C C 34 174.374 174.374 177.586 -3.212 18220 1211 1 3 . 1 1 43 43 PHE CA C 34 59.876 59.876 62.174 -2.298 18220 1212 1 3 . 1 1 43 43 PHE CB C 34 38.834 38.834 38.860 -0.026 18220 1213 1 3 . 1 1 43 43 PHE H H 34 8.287 8.287 8.609 -0.322 18220 1214 1 3 . 1 1 44 44 VAL N N 35 117.791 117.791 120.270 -2.479 18220 1215 1 3 . 1 1 44 44 VAL HA H 35 3.610 3.610 3.689 -0.079 18220 1216 1 3 . 1 1 44 44 VAL C C 35 176.205 176.205 177.643 -1.438 18220 1217 1 3 . 1 1 44 44 VAL CA C 35 64.559 64.559 67.448 -2.889 18220 1218 1 3 . 1 1 44 44 VAL CB C 35 31.432 31.432 31.682 -0.250 18220 1219 1 3 . 1 1 44 44 VAL H H 35 8.235 8.235 8.463 -0.228 18220 1220 1 3 . 1 1 45 45 GLY N N 36 108.551 108.551 107.166 1.385 18220 1221 1 3 . 1 1 45 45 GLY C C 36 173.749 173.749 176.168 -2.419 18220 1222 1 3 . 1 1 45 45 GLY CA C 36 46.083 46.083 47.600 -1.517 18220 1223 1 3 . 1 1 45 45 GLY H H 36 8.178 8.178 8.309 -0.131 18220 1224 1 3 . 1 1 46 46 CYS N N 37 121.173 121.173 120.751 0.422 18220 1225 1 3 . 1 1 46 46 CYS HA H 37 4.180 4.180 4.053 0.127 18220 1226 1 3 . 1 1 46 46 CYS C C 37 173.710 173.710 176.819 -3.109 18220 1227 1 3 . 1 1 46 46 CYS CA C 37 63.000 63.000 63.160 -0.161 18220 1228 1 3 . 1 1 46 46 CYS CB C 37 60.283 60.283 26.332 33.951 18220 1229 1 3 . 1 1 46 46 CYS H H 37 8.253 8.253 8.445 -0.192 18220 1230 1 3 . 1 1 47 47 LEU N N 38 120.283 120.283 121.774 -1.491 18220 1231 1 3 . 1 1 47 47 LEU HA H 38 4.060 4.060 3.896 0.164 18220 1232 1 3 . 1 1 47 47 LEU C C 38 176.679 176.679 178.211 -1.532 18220 1233 1 3 . 1 1 47 47 LEU CA C 38 56.027 56.027 58.201 -2.174 18220 1234 1 3 . 1 1 47 47 LEU CB C 38 41.464 41.464 41.757 -0.293 18220 1235 1 3 . 1 1 47 47 LEU H H 38 7.965 7.965 8.159 -0.194 18220 1236 1 3 . 1 1 48 48 ALA N N 39 122.249 122.249 120.427 1.822 18220 1237 1 3 . 1 1 48 48 ALA HA H 39 4.142 4.142 3.979 0.163 18220 1238 1 3 . 1 1 48 48 ALA C C 39 177.915 177.915 179.577 -1.662 18220 1239 1 3 . 1 1 48 48 ALA CA C 39 53.717 53.717 55.527 -1.810 18220 1240 1 3 . 1 1 48 48 ALA CB C 39 17.985 17.985 18.151 -0.166 18220 1241 1 3 . 1 1 48 48 ALA H H 39 8.066 8.066 8.281 -0.215 18220 1242 1 3 . 1 1 49 49 GLY N N 40 107.377 107.377 107.435 -0.058 18220 1243 1 3 . 1 1 49 49 GLY C C 40 172.527 172.527 175.933 -3.406 18220 1244 1 3 . 1 1 49 49 GLY CA C 40 45.450 45.450 47.176 -1.726 18220 1245 1 3 . 1 1 49 49 GLY H H 40 8.172 8.172 8.189 -0.017 18220 1246 1 3 . 1 1 50 50 TYR N N 41 122.409 122.409 123.638 -1.229 18220 1247 1 3 . 1 1 50 50 TYR HA H 41 3.799 3.799 4.022 -0.223 18220 1248 1 3 . 1 1 50 50 TYR C C 41 174.208 174.208 178.258 -4.050 18220 1249 1 3 . 1 1 50 50 TYR CA C 41 59.245 59.245 61.289 -2.044 18220 1250 1 3 . 1 1 50 50 TYR CB C 41 37.936 37.936 38.248 -0.312 18220 1251 1 3 . 1 1 50 50 TYR H H 41 7.800 7.800 8.340 -0.540 18220 1252 1 3 . 1 1 51 51 GLY N N 42 106.935 106.935 106.097 0.838 18220 1253 1 3 . 1 1 51 51 GLY C C 42 172.642 172.642 175.686 -3.044 18220 1254 1 3 . 1 1 51 51 GLY CA C 42 46.265 46.265 47.003 -0.738 18220 1255 1 3 . 1 1 51 51 GLY H H 42 8.199 8.199 8.226 -0.027 18220 1256 1 3 . 1 1 52 52 ALA N N 43 123.018 123.018 124.424 -1.406 18220 1257 1 3 . 1 1 52 52 ALA HA H 43 4.150 4.150 4.067 0.083 18220 1258 1 3 . 1 1 52 52 ALA C C 43 176.398 176.398 179.440 -3.042 18220 1259 1 3 . 1 1 52 52 ALA CA C 43 52.883 52.883 54.708 -1.825 18220 1260 1 3 . 1 1 52 52 ALA CB C 43 18.241 18.241 18.287 -0.046 18220 1261 1 3 . 1 1 52 52 ALA H H 43 7.758 7.758 8.423 -0.665 18220 1262 1 3 . 1 1 53 53 TYR N N 44 119.664 119.664 118.012 1.652 18220 1263 1 3 . 1 1 53 53 TYR HA H 44 4.318 4.318 4.261 0.057 18220 1264 1 3 . 1 1 53 53 TYR C C 44 174.180 174.180 177.457 -3.277 18220 1265 1 3 . 1 1 53 53 TYR CA C 44 58.593 58.593 60.612 -2.019 18220 1266 1 3 . 1 1 53 53 TYR CB C 44 38.192 38.192 38.383 -0.191 18220 1267 1 3 . 1 1 53 53 TYR H H 44 7.920 7.920 8.180 -0.260 18220 1268 1 3 . 1 1 54 54 ARG N N 45 119.516 119.516 118.563 0.953 18220 1269 1 3 . 1 1 54 54 ARG HA H 45 3.930 3.930 4.066 -0.136 18220 1270 1 3 . 1 1 54 54 ARG C C 45 174.423 174.423 177.728 -3.305 18220 1271 1 3 . 1 1 54 54 ARG CA C 45 56.027 56.027 58.312 -2.285 18220 1272 1 3 . 1 1 54 54 ARG CB C 45 30.173 30.173 31.120 -0.948 18220 1273 1 3 . 1 1 54 54 ARG H H 45 7.956 7.956 7.715 0.241 18220 1274 1 3 . 1 1 55 55 VAL N N 46 116.437 116.437 117.676 -1.239 18220 1275 1 3 . 1 1 55 55 VAL HA H 46 4.060 4.060 3.960 0.100 18220 1276 1 3 . 1 1 55 55 VAL C C 46 173.806 173.806 176.235 -2.429 18220 1277 1 3 . 1 1 55 55 VAL CA C 46 62.300 62.300 63.792 -1.492 18220 1278 1 3 . 1 1 55 55 VAL CB C 46 31.521 31.521 32.222 -0.701 18220 1279 1 3 . 1 1 55 55 VAL H H 46 7.489 7.489 8.467 -0.978 18220 1280 1 3 . 1 1 56 56 SER N N 47 117.185 117.185 112.516 4.669 18220 1281 1 3 . 1 1 56 56 SER HA H 47 4.401 4.401 4.279 0.122 18220 1282 1 3 . 1 1 56 56 SER C C 47 172.074 172.074 173.778 -1.704 18220 1283 1 3 . 1 1 56 56 SER CA C 47 58.133 58.133 59.096 -0.963 18220 1284 1 3 . 1 1 56 56 SER CB C 47 63.468 63.468 63.056 0.412 18220 1285 1 3 . 1 1 56 56 SER H H 47 7.728 7.728 7.861 -0.133 18220 1286 1 3 . 1 1 57 57 ASN N N 48 121.049 121.049 120.954 0.095 18220 1287 1 3 . 1 1 57 57 ASN HA H 48 4.590 4.590 4.735 -0.145 18220 1288 1 3 . 1 1 57 57 ASN CA C 48 53.600 53.600 53.683 -0.083 18220 1289 1 3 . 1 1 57 57 ASN CB C 48 38.641 38.641 39.109 -0.468 18220 1290 1 3 . 1 1 57 57 ASN H H 48 8.228 8.228 8.405 -0.177 18220 1291 1 3 . 1 1 58 58 ASP N N 49 120.276 120.276 121.368 -1.092 18220 1292 1 3 . 1 1 58 58 ASP HA H 49 4.530 4.530 4.818 -0.288 18220 1293 1 3 . 1 1 58 58 ASP CA C 49 54.202 54.202 54.207 -0.005 18220 1294 1 3 . 1 1 58 58 ASP CB C 49 40.374 40.374 41.302 -0.928 18220 1295 1 3 . 1 1 58 58 ASP H H 49 8.192 8.192 8.151 0.041 18220 1296 1 3 . 1 1 59 59 LYS N N 50 120.660 120.660 121.461 -0.801 18220 1297 1 3 . 1 1 59 59 LYS HA H 50 4.200 4.200 4.378 -0.178 18220 1298 1 3 . 1 1 59 59 LYS C C 50 173.474 173.474 175.868 -2.394 18220 1299 1 3 . 1 1 59 59 LYS CA C 50 56.300 56.300 55.488 0.812 18220 1300 1 3 . 1 1 59 59 LYS CB C 50 32.034 32.034 33.856 -1.822 18220 1301 1 3 . 1 1 59 59 LYS H H 50 8.003 8.003 8.398 -0.395 18220 1302 1 3 . 1 1 60 60 ARG N N 51 121.278 121.278 119.899 1.379 18220 1303 1 3 . 1 1 60 60 ARG HA H 51 4.200 4.200 4.116 0.084 18220 1304 1 3 . 1 1 60 60 ARG C C 51 173.303 173.303 174.428 -1.125 18220 1305 1 3 . 1 1 60 60 ARG CA C 51 56.283 56.283 56.456 -0.173 18220 1306 1 3 . 1 1 60 60 ARG CB C 51 30.238 30.238 30.287 -0.049 18220 1307 1 3 . 1 1 60 60 ARG H H 51 8.091 8.091 8.574 -0.483 18220 1308 1 3 . 1 1 61 61 ASP N N 52 121.185 121.185 120.056 1.129 18220 1309 1 3 . 1 1 61 61 ASP HA H 52 4.615 4.615 4.366 0.249 18220 1310 1 3 . 1 1 61 61 ASP C C 52 173.777 173.777 176.420 -2.643 18220 1311 1 3 . 1 1 61 61 ASP CA C 52 53.979 53.979 54.549 -0.570 18220 1312 1 3 . 1 1 61 61 ASP CB C 52 40.245 40.245 41.082 -0.837 18220 1313 1 3 . 1 1 61 61 ASP H H 52 8.261 8.261 8.465 -0.204 18220 1314 1 3 . 1 1 62 62 VAL N N 53 121.902 121.902 123.553 -1.651 18220 1315 1 3 . 1 1 62 62 VAL HA H 53 3.950 3.950 3.932 0.018 18220 1316 1 3 . 1 1 62 62 VAL C C 53 173.279 173.279 175.504 -2.225 18220 1317 1 3 . 1 1 62 62 VAL CA C 53 63.176 63.176 62.206 0.970 18220 1318 1 3 . 1 1 62 62 VAL CB C 53 32.099 32.099 30.526 1.573 18220 1319 1 3 . 1 1 62 62 VAL H H 53 7.997 7.997 8.542 -0.545 18220 1320 1 3 . 1 1 63 63 LYS N N 54 123.522 123.522 125.070 -1.548 18220 1321 1 3 . 1 1 63 63 LYS HA H 54 4.260 4.260 4.201 0.059 18220 1322 1 3 . 1 1 63 63 LYS C C 54 174.481 174.481 178.049 -3.568 18220 1323 1 3 . 1 1 63 63 LYS CA C 54 56.347 56.347 58.838 -2.491 18220 1324 1 3 . 1 1 63 63 LYS CB C 54 32.099 32.099 32.915 -0.816 18220 1325 1 3 . 1 1 63 63 LYS H H 54 8.054 8.054 8.718 -0.664 18220 1326 1 3 . 1 1 64 64 VAL N N 55 120.647 120.647 120.692 -0.045 18220 1327 1 3 . 1 1 64 64 VAL HA H 55 3.947 3.947 3.439 0.508 18220 1328 1 3 . 1 1 64 64 VAL C C 55 174.955 174.955 177.864 -2.909 18220 1329 1 3 . 1 1 64 64 VAL CA C 55 64.600 64.600 66.835 -2.235 18220 1330 1 3 . 1 1 64 64 VAL CB C 55 31.877 31.877 31.494 0.383 18220 1331 1 3 . 1 1 64 64 VAL H H 55 8.225 8.225 8.158 0.067 18220 1332 1 3 . 1 1 65 65 SER N N 56 117.785 117.785 114.104 3.681 18220 1333 1 3 . 1 1 65 65 SER HA H 56 4.390 4.390 4.233 0.157 18220 1334 1 3 . 1 1 65 65 SER C C 56 172.300 172.300 176.650 -4.350 18220 1335 1 3 . 1 1 65 65 SER CA C 56 60.000 60.000 61.708 -1.708 18220 1336 1 3 . 1 1 65 65 SER CB C 56 62.879 62.879 62.839 0.040 18220 1337 1 3 . 1 1 65 65 SER H H 56 8.260 8.260 8.130 0.130 18220 1338 1 3 . 1 1 66 66 LEU N N 57 123.318 123.318 122.687 0.631 18220 1339 1 3 . 1 1 66 66 LEU HA H 57 4.090 4.090 4.167 -0.077 18220 1340 1 3 . 1 1 66 66 LEU C C 57 175.932 175.932 178.523 -2.591 18220 1341 1 3 . 1 1 66 66 LEU CA C 57 57.502 57.502 58.207 -0.705 18220 1342 1 3 . 1 1 66 66 LEU CB C 57 41.721 41.721 41.992 -0.271 18220 1343 1 3 . 1 1 66 66 LEU H H 57 8.091 8.091 7.723 0.368 18220 1344 1 3 . 1 1 67 67 PHE N N 58 118.020 118.020 117.542 0.478 18220 1345 1 3 . 1 1 67 67 PHE HA H 58 4.330 4.330 4.449 -0.119 18220 1346 1 3 . 1 1 67 67 PHE C C 58 174.912 174.912 178.202 -3.290 18220 1347 1 3 . 1 1 67 67 PHE CA C 58 60.600 60.600 61.485 -0.885 18220 1348 1 3 . 1 1 67 67 PHE CB C 58 38.552 38.552 38.505 0.047 18220 1349 1 3 . 1 1 67 67 PHE H H 58 8.066 8.066 8.640 -0.574 18220 1350 1 3 . 1 1 68 68 THR N N 59 115.324 115.324 117.742 -2.418 18220 1351 1 3 . 1 1 68 68 THR HA H 59 4.310 4.310 4.240 0.070 18220 1352 1 3 . 1 1 68 68 THR C C 59 173.380 173.380 176.242 -2.862 18220 1353 1 3 . 1 1 68 68 THR CA C 59 66.313 66.313 67.936 -1.623 18220 1354 1 3 . 1 1 68 68 THR CB C 59 67.700 67.700 68.865 -1.165 18220 1355 1 3 . 1 1 68 68 THR H H 59 8.287 8.287 8.354 -0.067 18220 1356 1 3 . 1 1 69 69 ALA N N 60 123.621 123.621 124.831 -1.210 18220 1357 1 3 . 1 1 69 69 ALA HA H 60 4.280 4.280 4.235 0.045 18220 1358 1 3 . 1 1 69 69 ALA C C 60 176.978 176.978 179.228 -2.250 18220 1359 1 3 . 1 1 69 69 ALA CA C 60 55.100 55.100 55.120 -0.020 18220 1360 1 3 . 1 1 69 69 ALA CB C 60 17.728 17.728 18.216 -0.488 18220 1361 1 3 . 1 1 69 69 ALA H H 60 7.983 7.983 8.437 -0.454 18220 1362 1 3 . 1 1 70 70 PHE N N 61 118.520 118.520 119.660 -1.140 18220 1363 1 3 . 1 1 70 70 PHE HA H 61 4.260 4.260 4.207 0.053 18220 1364 1 3 . 1 1 70 70 PHE C C 61 175.369 175.369 177.255 -1.886 18220 1365 1 3 . 1 1 70 70 PHE CA C 61 60.179 60.179 62.450 -2.271 18220 1366 1 3 . 1 1 70 70 PHE CB C 61 38.706 38.706 39.362 -0.656 18220 1367 1 3 . 1 1 70 70 PHE H H 61 8.007 8.007 8.414 -0.407 18220 1368 1 3 . 1 1 71 71 PHE N N 62 122.314 122.314 119.673 2.641 18220 1369 1 3 . 1 1 71 71 PHE HA H 62 4.000 4.000 4.203 -0.203 18220 1370 1 3 . 1 1 71 71 PHE C C 62 174.697 174.697 177.235 -2.538 18220 1371 1 3 . 1 1 71 71 PHE CA C 62 60.517 60.517 60.827 -0.310 18220 1372 1 3 . 1 1 71 71 PHE CB C 62 38.770 38.770 38.889 -0.119 18220 1373 1 3 . 1 1 71 71 PHE H H 62 8.546 8.546 8.296 0.250 18220 1374 1 3 . 1 1 72 72 LEU N N 63 119.399 119.399 120.581 -1.182 18220 1375 1 3 . 1 1 72 72 LEU HA H 63 3.870 3.870 3.443 0.427 18220 1376 1 3 . 1 1 72 72 LEU C C 63 175.774 175.774 178.522 -2.748 18220 1377 1 3 . 1 1 72 72 LEU CA C 63 56.925 56.925 58.144 -1.219 18220 1378 1 3 . 1 1 72 72 LEU CB C 63 41.207 41.207 41.495 -0.288 18220 1379 1 3 . 1 1 72 72 LEU H H 63 8.396 8.396 8.110 0.286 18220 1380 1 3 . 1 1 73 73 ALA N N 64 120.221 120.221 119.435 0.786 18220 1381 1 3 . 1 1 73 73 ALA HA H 64 3.960 3.960 3.760 0.200 18220 1382 1 3 . 1 1 73 73 ALA C C 64 177.267 177.267 179.393 -2.126 18220 1383 1 3 . 1 1 73 73 ALA CA C 64 54.600 54.600 55.113 -0.513 18220 1384 1 3 . 1 1 73 73 ALA CB C 64 17.784 17.784 17.810 -0.026 18220 1385 1 3 . 1 1 73 73 ALA H H 64 8.025 8.025 8.175 -0.150 18220 1386 1 3 . 1 1 74 74 THR N N 65 113.648 113.648 114.483 -0.835 18220 1387 1 3 . 1 1 74 74 THR HA H 65 3.980 3.980 3.902 0.078 18220 1388 1 3 . 1 1 74 74 THR CA C 65 66.291 66.291 66.683 -0.392 18220 1389 1 3 . 1 1 74 74 THR CB C 65 67.914 67.914 68.683 -0.769 18220 1390 1 3 . 1 1 74 74 THR H H 65 7.717 7.717 7.869 -0.152 18220 1391 1 3 . 1 1 75 75 ILE N N 66 120.291 120.291 119.094 1.197 18220 1392 1 3 . 1 1 75 75 ILE HA H 66 3.740 3.740 3.767 -0.027 18220 1393 1 3 . 1 1 75 75 ILE C C 66 174.951 174.951 176.906 -1.955 18220 1394 1 3 . 1 1 75 75 ILE CA C 66 64.880 64.880 62.173 2.707 18220 1395 1 3 . 1 1 75 75 ILE CB C 66 37.166 37.166 37.035 0.131 18220 1396 1 3 . 1 1 75 75 ILE H H 66 7.738 7.738 7.801 -0.063 18220 1397 1 3 . 1 1 76 76 MET N N 67 117.618 117.618 118.202 -0.584 18220 1398 1 3 . 1 1 76 76 MET HA H 67 4.220 4.220 4.299 -0.079 18220 1399 1 3 . 1 1 76 76 MET C C 67 175.142 175.142 176.819 -1.677 18220 1400 1 3 . 1 1 76 76 MET CA C 67 56.723 56.723 57.467 -0.744 18220 1401 1 3 . 1 1 76 76 MET CB C 67 31.951 31.951 34.094 -2.143 18220 1402 1 3 . 1 1 76 76 MET H H 67 7.823 7.823 7.899 -0.076 18220 1403 1 3 . 1 1 77 77 GLY N N 68 107.110 107.110 108.549 -1.439 18220 1404 1 3 . 1 1 77 77 GLY C C 68 172.260 172.260 173.411 -1.151 18220 1405 1 3 . 1 1 77 77 GLY CA C 68 45.800 45.800 45.184 0.616 18220 1406 1 3 . 1 1 77 77 GLY H H 68 7.937 7.937 8.459 -0.522 18220 1407 1 3 . 1 1 78 78 VAL N N 69 120.431 120.431 118.372 2.059 18220 1408 1 3 . 1 1 78 78 VAL HA H 69 4.220 4.220 4.337 -0.117 18220 1409 1 3 . 1 1 78 78 VAL CA C 69 63.900 63.900 60.616 3.284 18220 1410 1 3 . 1 1 78 78 VAL CB C 69 31.506 31.506 34.602 -3.096 18220 1411 1 3 . 1 1 78 78 VAL H H 69 7.697 7.697 7.792 -0.095 18220 1412 1 3 . 1 1 79 79 ARG N N 70 121.420 121.420 124.003 -2.583 18220 1413 1 3 . 1 1 79 79 ARG HA H 70 3.810 3.810 4.356 -0.546 18220 1414 1 3 . 1 1 79 79 ARG CA C 70 56.400 56.400 56.956 -0.556 18220 1415 1 3 . 1 1 79 79 ARG CB C 70 30.097 30.097 30.944 -0.847 18220 1416 1 3 . 1 1 79 79 ARG H H 70 7.889 7.889 8.261 -0.372 18220 1417 1 3 . 1 1 80 80 PHE N N 71 119.949 119.949 121.400 -1.451 18220 1418 1 3 . 1 1 80 80 PHE HA H 71 4.510 4.510 4.252 0.258 18220 1419 1 3 . 1 1 80 80 PHE CA C 71 58.600 58.600 59.727 -1.127 18220 1420 1 3 . 1 1 80 80 PHE CB C 71 39.145 39.145 39.572 -0.427 18220 1421 1 3 . 1 1 80 80 PHE H H 71 8.101 8.101 8.768 -0.667 18220 1422 1 3 . 1 1 81 81 LYS N N 72 122.193 122.193 115.530 6.663 18220 1423 1 3 . 1 1 81 81 LYS CA C 72 56.800 56.800 55.645 1.155 18220 1424 1 3 . 1 1 81 81 LYS CB C 72 32.322 32.322 34.725 -2.403 18220 1425 1 3 . 1 1 81 81 LYS H H 72 8.090 8.090 7.702 0.388 18220 1426 1 3 . 1 1 82 82 ARG N N 73 119.650 119.650 121.379 -1.729 18220 1427 1 3 . 1 1 82 82 ARG CA C 73 56.089 56.089 56.200 -0.111 18220 1428 1 3 . 1 1 82 82 ARG CB C 73 30.171 30.171 31.237 -1.066 18220 1429 1 3 . 1 1 82 82 ARG H H 73 8.052 8.052 8.694 -0.642 18220 1430 1 3 . 1 1 83 83 SER N N 74 115.734 115.734 118.891 -3.157 18220 1431 1 3 . 1 1 83 83 SER CA C 74 58.355 58.355 58.797 -0.442 18220 1432 1 3 . 1 1 83 83 SER CB C 74 63.404 63.404 63.729 -0.325 18220 1433 1 3 . 1 1 83 83 SER H H 74 7.912 7.912 8.402 -0.490 18220 1434 1 3 . 1 1 84 84 LYS N N 75 122.370 122.370 126.681 -4.311 18220 1435 1 3 . 1 1 84 84 LYS CA C 75 56.135 56.135 56.868 -0.734 18220 1436 1 3 . 1 1 84 84 LYS CB C 75 32.175 32.175 32.474 -0.299 18220 1437 1 3 . 1 1 84 84 LYS H H 75 8.067 8.067 8.599 -0.532 18220 1438 1 3 . 1 1 86 86 ILE N N 77 119.592 119.592 117.738 1.854 18220 1439 1 3 . 1 1 86 86 ILE HA H 77 3.810 3.810 3.835 -0.025 18220 1440 1 3 . 1 1 86 86 ILE CA C 77 64.900 64.900 62.319 2.582 18220 1441 1 3 . 1 1 86 86 ILE CB C 77 39.145 39.145 36.689 2.456 18220 1442 1 3 . 1 1 86 86 ILE H H 77 7.837 7.837 8.018 -0.181 18220 1443 1 3 . 1 1 87 87 MET N N 78 121.645 121.645 121.382 0.263 18220 1444 1 3 . 1 1 87 87 MET CA C 78 52.982 52.982 54.285 -1.303 18220 1445 1 3 . 1 1 87 87 MET CB C 78 32.173 32.173 35.384 -3.211 18220 1446 1 3 . 1 1 87 87 MET H H 78 7.950 7.950 7.818 0.132 18220 1447 1 3 . 1 1 88 88 PRO HA H 79 4.140 4.140 4.636 -0.496 18220 1448 1 3 . 1 1 88 88 PRO C C 79 173.921 173.921 176.079 -2.158 18220 1449 1 3 . 1 1 88 88 PRO CA C 79 62.800 62.800 62.719 0.081 18220 1450 1 3 . 1 1 88 88 PRO CB C 79 31.136 31.136 29.611 1.525 18220 1451 1 3 . 1 1 89 89 ALA N N 80 124.431 124.431 124.246 0.185 18220 1452 1 3 . 1 1 89 89 ALA HA H 80 4.400 4.400 4.147 0.253 18220 1453 1 3 . 1 1 89 89 ALA C C 80 176.234 176.234 179.243 -3.009 18220 1454 1 3 . 1 1 89 89 ALA CA C 80 53.300 53.300 54.960 -1.660 18220 1455 1 3 . 1 1 89 89 ALA CB C 80 18.498 18.498 18.951 -0.453 18220 1456 1 3 . 1 1 89 89 ALA H H 80 8.320 8.320 8.274 0.046 18220 1457 1 3 . 1 1 90 90 GLY N N 81 106.834 106.834 107.417 -0.583 18220 1458 1 3 . 1 1 90 90 GLY C C 81 172.398 172.398 175.954 -3.556 18220 1459 1 3 . 1 1 90 90 GLY CA C 81 45.600 45.600 47.447 -1.847 18220 1460 1 3 . 1 1 90 90 GLY H H 81 8.458 8.458 8.752 -0.294 18220 1461 1 3 . 1 1 91 91 LEU N N 82 121.043 121.043 121.776 -0.733 18220 1462 1 3 . 1 1 91 91 LEU HA H 82 4.200 4.200 3.882 0.318 18220 1463 1 3 . 1 1 91 91 LEU C C 82 174.783 174.783 178.725 -3.942 18220 1464 1 3 . 1 1 91 91 LEU CA C 82 56.300 56.300 57.517 -1.217 18220 1465 1 3 . 1 1 91 91 LEU CB C 82 42.106 42.106 41.900 0.206 18220 1466 1 3 . 1 1 91 91 LEU H H 82 7.687 7.687 7.781 -0.094 18220 1467 1 3 . 1 1 92 92 VAL N N 83 114.737 114.737 118.220 -3.483 18220 1468 1 3 . 1 1 92 92 VAL HA H 83 3.980 3.980 3.485 0.495 18220 1469 1 3 . 1 1 92 92 VAL C C 83 173.634 173.634 177.693 -4.059 18220 1470 1 3 . 1 1 92 92 VAL CA C 83 62.400 62.400 66.134 -3.734 18220 1471 1 3 . 1 1 92 92 VAL CB C 83 31.585 31.585 31.372 0.213 18220 1472 1 3 . 1 1 92 92 VAL H H 83 7.602 7.602 7.798 -0.196 18220 1473 1 3 . 1 1 93 93 ALA N N 84 124.320 124.320 121.408 2.912 18220 1474 1 3 . 1 1 93 93 ALA HA H 84 4.150 4.150 4.090 0.060 18220 1475 1 3 . 1 1 93 93 ALA C C 84 175.746 175.746 179.702 -3.956 18220 1476 1 3 . 1 1 93 93 ALA CA C 84 53.300 53.300 55.277 -1.977 18220 1477 1 3 . 1 1 93 93 ALA CB C 84 18.241 18.241 17.986 0.255 18220 1478 1 3 . 1 1 93 93 ALA H H 84 7.891 7.891 8.086 -0.195 18220 1479 1 3 . 1 1 94 94 GLY N N 85 106.807 106.807 108.537 -1.730 18220 1480 1 3 . 1 1 94 94 GLY C C 85 171.752 171.752 175.943 -4.191 18220 1481 1 3 . 1 1 94 94 GLY CA C 85 45.249 45.249 47.015 -1.766 18220 1482 1 3 . 1 1 94 94 GLY H H 85 8.204 8.204 8.329 -0.125 18220 1483 1 3 . 1 1 95 95 LEU N N 86 121.266 121.266 122.452 -1.186 18220 1484 1 3 . 1 1 95 95 LEU HA H 86 4.380 4.380 3.961 0.419 18220 1485 1 3 . 1 1 95 95 LEU C C 86 173.702 173.702 179.497 -5.795 18220 1486 1 3 . 1 1 95 95 LEU CA C 86 55.000 55.000 57.596 -2.596 18220 1487 1 3 . 1 1 95 95 LEU CB C 86 42.298 42.298 40.707 1.591 18220 1488 1 3 . 1 1 95 95 LEU H H 86 7.718 7.718 8.309 -0.591 18220 1489 1 3 . 1 1 96 96 SER N N 87 115.658 115.658 114.657 1.001 18220 1490 1 3 . 1 1 96 96 SER HA H 87 4.370 4.370 4.108 0.262 18220 1491 1 3 . 1 1 96 96 SER C C 87 172.479 172.479 176.657 -4.178 18220 1492 1 3 . 1 1 96 96 SER CA C 87 57.200 57.200 62.039 -4.839 18220 1493 1 3 . 1 1 96 96 SER CB C 87 64.174 64.174 63.072 1.102 18220 1494 1 3 . 1 1 96 96 SER H H 87 7.659 7.659 8.090 -0.431 18220 1495 1 3 . 1 1 97 97 LEU N N 88 123.720 123.720 122.648 1.072 18220 1496 1 3 . 1 1 97 97 LEU HA H 88 4.600 4.600 3.889 0.711 18220 1497 1 3 . 1 1 97 97 LEU C C 88 175.932 175.932 178.658 -2.726 18220 1498 1 3 . 1 1 97 97 LEU CA C 88 57.600 57.600 58.504 -0.904 18220 1499 1 3 . 1 1 97 97 LEU CB C 88 41.400 41.400 41.845 -0.445 18220 1500 1 3 . 1 1 97 97 LEU H H 88 8.733 8.733 8.058 0.675 18220 1501 1 3 . 1 1 98 98 MET N N 89 116.684 116.684 117.679 -0.995 18220 1502 1 3 . 1 1 98 98 MET HA H 89 4.280 4.280 3.893 0.387 18220 1503 1 3 . 1 1 98 98 MET C C 89 175.789 175.789 178.797 -3.008 18220 1504 1 3 . 1 1 98 98 MET CA C 89 56.915 56.915 58.992 -2.077 18220 1505 1 3 . 1 1 98 98 MET CB C 89 31.007 31.007 32.053 -1.046 18220 1506 1 3 . 1 1 98 98 MET H H 89 8.342 8.342 8.570 -0.228 18220 1507 1 3 . 1 1 99 99 MET N N 90 119.182 119.182 118.648 0.534 18220 1508 1 3 . 1 1 99 99 MET HA H 90 4.110 4.110 3.991 0.119 18220 1509 1 3 . 1 1 99 99 MET C C 90 175.588 175.588 178.543 -2.955 18220 1510 1 3 . 1 1 99 99 MET CA C 90 57.951 57.951 59.426 -1.475 18220 1511 1 3 . 1 1 99 99 MET CB C 90 32.226 32.226 32.498 -0.272 18220 1512 1 3 . 1 1 99 99 MET H H 90 7.720 7.720 8.004 -0.284 18220 1513 1 3 . 1 1 100 100 ILE N N 91 119.077 119.077 119.837 -0.760 18220 1514 1 3 . 1 1 100 100 ILE HA H 91 4.110 4.110 3.609 0.501 18220 1515 1 3 . 1 1 100 100 ILE C C 91 174.634 174.634 178.767 -4.133 18220 1516 1 3 . 1 1 100 100 ILE CA C 91 64.100 64.100 65.320 -1.220 18220 1517 1 3 . 1 1 100 100 ILE CB C 91 37.143 37.143 37.657 -0.514 18220 1518 1 3 . 1 1 100 100 ILE H H 91 7.662 7.662 8.150 -0.488 18220 1519 1 3 . 1 1 101 101 LEU N N 92 119.646 119.646 119.355 0.291 18220 1520 1 3 . 1 1 101 101 LEU HA H 92 4.530 4.530 3.962 0.568 18220 1521 1 3 . 1 1 101 101 LEU C C 92 175.430 175.430 179.240 -3.810 18220 1522 1 3 . 1 1 101 101 LEU CA C 92 57.800 57.800 57.942 -0.142 18220 1523 1 3 . 1 1 101 101 LEU CB C 92 40.758 40.758 40.437 0.321 18220 1524 1 3 . 1 1 101 101 LEU H H 92 8.142 8.142 8.311 -0.169 18220 1525 1 3 . 1 1 102 102 ARG N N 93 116.394 116.394 119.532 -3.138 18220 1526 1 3 . 1 1 102 102 ARG HA H 93 4.140 4.140 3.995 0.145 18220 1527 1 3 . 1 1 102 102 ARG C C 93 175.961 175.961 178.390 -2.429 18220 1528 1 3 . 1 1 102 102 ARG CA C 93 59.100 59.100 58.814 0.286 18220 1529 1 3 . 1 1 102 102 ARG CB C 93 29.404 29.404 29.483 -0.079 18220 1530 1 3 . 1 1 102 102 ARG H H 93 7.893 7.893 8.328 -0.435 18220 1531 1 3 . 1 1 103 103 LEU N N 94 119.114 119.114 119.398 -0.284 18220 1532 1 3 . 1 1 103 103 LEU HA H 94 4.110 4.110 4.032 0.078 18220 1533 1 3 . 1 1 103 103 LEU C C 94 175.889 175.889 178.723 -2.834 18220 1534 1 3 . 1 1 103 103 LEU CA C 94 57.300 57.300 58.275 -0.975 18220 1535 1 3 . 1 1 103 103 LEU CB C 94 41.296 41.296 41.191 0.105 18220 1536 1 3 . 1 1 103 103 LEU H H 94 7.622 7.622 8.119 -0.497 18220 1537 1 3 . 1 1 104 104 VAL N N 95 117.704 117.704 116.955 0.749 18220 1538 1 3 . 1 1 104 104 VAL HA H 95 3.530 3.530 3.839 -0.309 18220 1539 1 3 . 1 1 104 104 VAL C C 95 175.042 175.042 178.251 -3.209 18220 1540 1 3 . 1 1 104 104 VAL CA C 95 66.419 66.419 66.037 0.382 18220 1541 1 3 . 1 1 104 104 VAL CB C 95 31.357 31.357 32.013 -0.656 18220 1542 1 3 . 1 1 104 104 VAL H H 95 8.026 8.026 7.272 0.754 18220 1543 1 3 . 1 1 105 105 LEU N N 96 117.185 117.185 121.291 -4.106 18220 1544 1 3 . 1 1 105 105 LEU HA H 96 3.980 3.980 3.917 0.063 18220 1545 1 3 . 1 1 105 105 LEU C C 96 176.579 176.579 179.565 -2.986 18220 1546 1 3 . 1 1 105 105 LEU CA C 96 56.800 56.800 57.837 -1.037 18220 1547 1 3 . 1 1 105 105 LEU CB C 96 40.951 40.951 40.895 0.056 18220 1548 1 3 . 1 1 105 105 LEU H H 96 7.893 7.893 8.152 -0.259 18220 1549 1 3 . 1 1 106 106 LEU N N 97 118.471 118.471 120.390 -1.919 18220 1550 1 3 . 1 1 106 106 LEU HA H 97 4.180 4.180 3.955 0.225 18220 1551 1 3 . 1 1 106 106 LEU C C 97 175.802 175.802 178.807 -3.005 18220 1552 1 3 . 1 1 106 106 LEU CA C 97 56.300 56.300 58.313 -2.013 18220 1553 1 3 . 1 1 106 106 LEU CB C 97 41.592 41.592 41.940 -0.348 18220 1554 1 3 . 1 1 106 106 LEU H H 97 7.545 7.545 8.409 -0.864 18220 1555 1 3 . 1 1 107 107 LEU N N 98 118.162 118.162 118.856 -0.694 18220 1556 1 3 . 1 1 107 107 LEU HA H 98 4.230 4.230 4.081 0.149 18220 1557 1 3 . 1 1 107 107 LEU C C 98 174.174 174.174 177.759 -3.585 18220 1558 1 3 . 1 1 107 107 LEU CA C 98 56.283 56.283 56.967 -0.684 18220 1559 1 3 . 1 1 107 107 LEU CB C 98 42.362 42.362 42.391 -0.029 18220 1560 1 3 . 1 1 107 107 LEU H H 98 7.688 7.688 7.979 -0.291 18220 1561 1 4 . 1 1 11 11 ASP N N 2 120.536 120.536 124.172 -3.636 18220 1562 1 4 . 1 1 11 11 ASP CA C 2 55.918 55.918 54.205 1.713 18220 1563 1 4 . 1 1 11 11 ASP CB C 2 37.959 37.959 41.756 -3.797 18220 1564 1 4 . 1 1 11 11 ASP H H 2 7.863 7.863 8.300 -0.437 18220 1565 1 4 . 1 1 12 12 LEU N N 3 121.414 121.414 120.405 1.009 18220 1566 1 4 . 1 1 12 12 LEU C C 3 176.162 176.162 175.572 0.590 18220 1567 1 4 . 1 1 12 12 LEU CA C 3 57.600 57.600 55.078 2.522 18220 1568 1 4 . 1 1 12 12 LEU CB C 3 41.657 41.657 42.879 -1.222 18220 1569 1 4 . 1 1 12 12 LEU H H 3 8.285 8.285 8.295 -0.010 18220 1570 1 4 . 1 1 13 13 ILE N N 4 118.854 118.854 123.040 -4.186 18220 1571 1 4 . 1 1 13 13 ILE HA H 4 3.740 3.740 4.415 -0.675 18220 1572 1 4 . 1 1 13 13 ILE C C 4 175.228 175.228 175.781 -0.553 18220 1573 1 4 . 1 1 13 13 ILE CA C 4 64.500 64.500 61.596 2.904 18220 1574 1 4 . 1 1 13 13 ILE CB C 4 37.102 37.102 38.876 -1.774 18220 1575 1 4 . 1 1 13 13 ILE H H 4 8.031 8.031 8.419 -0.388 18220 1576 1 4 . 1 1 14 14 GLY N N 5 107.478 107.478 109.990 -2.512 18220 1577 1 4 . 1 1 14 14 GLY C C 5 174.424 174.424 173.889 0.535 18220 1578 1 4 . 1 1 14 14 GLY CA C 5 47.059 47.059 44.729 2.330 18220 1579 1 4 . 1 1 14 14 GLY H H 5 8.148 8.148 8.004 0.144 18220 1580 1 4 . 1 1 15 15 PHE N N 6 122.774 122.774 123.159 -0.385 18220 1581 1 4 . 1 1 15 15 PHE HA H 6 4.480 4.480 4.444 0.036 18220 1582 1 4 . 1 1 15 15 PHE C C 6 175.113 175.113 176.740 -1.627 18220 1583 1 4 . 1 1 15 15 PHE CA C 6 60.017 60.017 59.722 0.294 18220 1584 1 4 . 1 1 15 15 PHE CB C 6 38.774 38.774 39.631 -0.857 18220 1585 1 4 . 1 1 15 15 PHE H H 6 8.194 8.194 8.457 -0.263 18220 1586 1 4 . 1 1 16 16 GLY N N 7 107.938 107.938 107.644 0.294 18220 1587 1 4 . 1 1 16 16 GLY C C 7 171.838 171.838 175.860 -4.022 18220 1588 1 4 . 1 1 16 16 GLY CA C 7 47.100 47.100 47.436 -0.336 18220 1589 1 4 . 1 1 16 16 GLY H H 7 8.697 8.697 8.592 0.105 18220 1590 1 4 . 1 1 17 17 TYR N N 8 121.785 121.785 123.153 -1.368 18220 1591 1 4 . 1 1 17 17 TYR HA H 8 4.150 4.150 4.088 0.062 18220 1592 1 4 . 1 1 17 17 TYR C C 8 174.180 174.180 177.532 -3.352 18220 1593 1 4 . 1 1 17 17 TYR CA C 8 61.300 61.300 60.975 0.325 18220 1594 1 4 . 1 1 17 17 TYR CB C 8 37.959 37.959 38.256 -0.297 18220 1595 1 4 . 1 1 17 17 TYR H H 8 8.710 8.710 8.317 0.393 18220 1596 1 4 . 1 1 18 18 ALA N N 9 120.233 120.233 120.358 -0.125 18220 1597 1 4 . 1 1 18 18 ALA HA H 9 3.950 3.950 3.911 0.039 18220 1598 1 4 . 1 1 18 18 ALA C C 9 178.059 178.059 178.618 -0.559 18220 1599 1 4 . 1 1 18 18 ALA CA C 9 54.872 54.872 55.046 -0.174 18220 1600 1 4 . 1 1 18 18 ALA CB C 9 17.562 17.562 17.639 -0.077 18220 1601 1 4 . 1 1 18 18 ALA H H 9 7.843 7.843 8.180 -0.337 18220 1602 1 4 . 1 1 19 19 ALA N N 10 121.797 121.797 121.327 0.470 18220 1603 1 4 . 1 1 19 19 ALA HA H 10 3.950 3.950 4.037 -0.087 18220 1604 1 4 . 1 1 19 19 ALA C C 10 176.191 176.191 179.567 -3.376 18220 1605 1 4 . 1 1 19 19 ALA CA C 10 54.600 54.600 54.419 0.181 18220 1606 1 4 . 1 1 19 19 ALA CB C 10 17.562 17.562 17.981 -0.419 18220 1607 1 4 . 1 1 19 19 ALA H H 10 8.212 8.212 7.533 0.679 18220 1608 1 4 . 1 1 20 20 LEU N N 11 119.442 119.442 120.702 -1.260 18220 1609 1 4 . 1 1 20 20 LEU HA H 11 3.937 3.937 4.064 -0.127 18220 1610 1 4 . 1 1 20 20 LEU C C 11 176.694 176.694 178.745 -2.051 18220 1611 1 4 . 1 1 20 20 LEU CA C 11 57.800 57.800 57.701 0.099 18220 1612 1 4 . 1 1 20 20 LEU CB C 11 41.222 41.222 40.893 0.329 18220 1613 1 4 . 1 1 20 20 LEU H H 11 8.065 8.065 7.912 0.153 18220 1614 1 4 . 1 1 21 21 VAL N N 12 118.323 118.323 119.004 -0.681 18220 1615 1 4 . 1 1 21 21 VAL HA H 12 3.640 3.640 3.446 0.194 18220 1616 1 4 . 1 1 21 21 VAL C C 12 176.536 176.536 177.809 -1.273 18220 1617 1 4 . 1 1 21 21 VAL CA C 12 65.400 65.400 67.414 -2.014 18220 1618 1 4 . 1 1 21 21 VAL CB C 12 31.135 31.135 31.753 -0.618 18220 1619 1 4 . 1 1 21 21 VAL H H 12 8.051 8.051 8.259 -0.208 18220 1620 1 4 . 1 1 22 22 THR N N 13 118.298 118.298 116.491 1.807 18220 1621 1 4 . 1 1 22 22 THR HA H 13 4.660 4.660 3.825 0.835 18220 1622 1 4 . 1 1 22 22 THR C C 13 173.734 173.734 176.617 -2.883 18220 1623 1 4 . 1 1 22 22 THR CA C 13 66.300 66.300 66.958 -0.658 18220 1624 1 4 . 1 1 22 22 THR CB C 13 67.775 67.775 68.748 -0.973 18220 1625 1 4 . 1 1 22 22 THR H H 13 7.944 7.944 8.004 -0.060 18220 1626 1 4 . 1 1 23 23 PHE N N 14 121.328 121.328 121.538 -0.210 18220 1627 1 4 . 1 1 23 23 PHE HA H 14 4.340 4.340 4.123 0.217 18220 1628 1 4 . 1 1 23 23 PHE C C 14 174.783 174.783 177.617 -2.834 18220 1629 1 4 . 1 1 23 23 PHE CA C 14 60.500 60.500 60.954 -0.454 18220 1630 1 4 . 1 1 23 23 PHE CB C 14 38.626 38.626 38.638 -0.012 18220 1631 1 4 . 1 1 23 23 PHE H H 14 8.567 8.567 8.193 0.374 18220 1632 1 4 . 1 1 24 24 GLY N N 15 106.871 106.871 106.558 0.313 18220 1633 1 4 . 1 1 24 24 GLY C C 15 172.858 172.858 176.038 -3.180 18220 1634 1 4 . 1 1 24 24 GLY CA C 15 46.900 46.900 46.941 -0.041 18220 1635 1 4 . 1 1 24 24 GLY H H 15 8.475 8.475 8.354 0.121 18220 1636 1 4 . 1 1 25 25 SER N N 16 116.214 116.214 117.518 -1.304 18220 1637 1 4 . 1 1 25 25 SER HA H 16 4.280 4.280 4.050 0.230 18220 1638 1 4 . 1 1 25 25 SER CA C 16 60.300 60.300 61.489 -1.189 18220 1639 1 4 . 1 1 25 25 SER CB C 16 62.879 62.879 63.220 -0.341 18220 1640 1 4 . 1 1 25 25 SER H H 16 7.963 7.963 8.220 -0.257 18220 1641 1 4 . 1 1 26 26 ILE N N 17 121.024 121.024 120.928 0.096 18220 1642 1 4 . 1 1 26 26 ILE HA H 17 3.946 3.946 3.699 0.247 18220 1643 1 4 . 1 1 26 26 ILE C C 17 173.935 173.935 178.791 -4.856 18220 1644 1 4 . 1 1 26 26 ILE CA C 17 63.100 63.100 64.831 -1.731 18220 1645 1 4 . 1 1 26 26 ILE CB C 17 38.107 38.107 37.221 0.886 18220 1646 1 4 . 1 1 26 26 ILE H H 17 7.676 7.676 8.407 -0.731 18220 1647 1 4 . 1 1 27 27 PHE N N 18 117.142 117.142 120.385 -3.243 18220 1648 1 4 . 1 1 27 27 PHE HA H 18 4.430 4.430 4.170 0.260 18220 1649 1 4 . 1 1 27 27 PHE C C 18 173.504 173.504 177.373 -3.869 18220 1650 1 4 . 1 1 27 27 PHE CA C 18 58.500 58.500 61.081 -2.581 18220 1651 1 4 . 1 1 27 27 PHE CB C 18 38.774 38.774 38.671 0.103 18220 1652 1 4 . 1 1 27 27 PHE H H 18 7.703 7.703 8.296 -0.593 18220 1653 1 4 . 1 1 28 28 GLY N N 19 107.303 107.303 104.600 2.703 18220 1654 1 4 . 1 1 28 28 GLY C C 19 171.593 171.593 174.038 -2.445 18220 1655 1 4 . 1 1 28 28 GLY CA C 19 45.600 45.600 45.042 0.558 18220 1656 1 4 . 1 1 28 28 GLY H H 19 7.722 7.722 7.796 -0.074 18220 1657 1 4 . 1 1 29 29 TYR N N 20 119.862 119.862 119.592 0.270 18220 1658 1 4 . 1 1 29 29 TYR HA H 20 4.392 4.392 3.999 0.393 18220 1659 1 4 . 1 1 29 29 TYR C C 20 173.174 173.174 174.466 -1.292 18220 1660 1 4 . 1 1 29 29 TYR CA C 20 58.500 58.500 59.242 -0.742 18220 1661 1 4 . 1 1 29 29 TYR CB C 20 38.404 38.404 37.432 0.972 18220 1662 1 4 . 1 1 29 29 TYR H H 20 7.880 7.880 7.736 0.144 18220 1663 1 4 . 1 1 30 30 LYS N N 21 122.335 122.335 127.933 -5.598 18220 1664 1 4 . 1 1 30 30 LYS HA H 21 4.390 4.390 4.398 -0.008 18220 1665 1 4 . 1 1 30 30 LYS C C 21 173.547 173.547 175.006 -1.459 18220 1666 1 4 . 1 1 30 30 LYS CA C 21 55.800 55.800 56.765 -0.965 18220 1667 1 4 . 1 1 30 30 LYS CB C 21 32.396 32.396 32.728 -0.332 18220 1668 1 4 . 1 1 30 30 LYS H H 21 7.934 7.934 8.320 -0.386 18220 1669 1 4 . 1 1 31 31 ARG N N 22 120.612 120.612 118.837 1.775 18220 1670 1 4 . 1 1 31 31 ARG C C 22 173.547 173.547 175.453 -1.906 18220 1671 1 4 . 1 1 31 31 ARG CA C 22 55.834 55.834 56.434 -0.600 18220 1672 1 4 . 1 1 31 31 ARG CB C 22 30.101 30.101 30.221 -0.120 18220 1673 1 4 . 1 1 31 31 ARG H H 22 7.905 7.905 7.677 0.228 18220 1674 1 4 . 1 1 32 32 ARG N N 23 121.748 121.748 123.121 -1.373 18220 1675 1 4 . 1 1 32 32 ARG HA H 23 4.310 4.310 4.132 0.178 18220 1676 1 4 . 1 1 32 32 ARG C C 23 173.863 173.863 175.870 -2.007 18220 1677 1 4 . 1 1 32 32 ARG CA C 23 55.800 55.800 56.964 -1.164 18220 1678 1 4 . 1 1 32 32 ARG CB C 23 30.245 30.245 30.016 0.229 18220 1679 1 4 . 1 1 32 32 ARG H H 23 8.175 8.175 8.064 0.111 18220 1680 1 4 . 1 1 33 33 GLY N N 24 109.528 109.528 111.880 -2.352 18220 1681 1 4 . 1 1 33 33 GLY C C 24 171.752 171.752 172.650 -0.898 18220 1682 1 4 . 1 1 33 33 GLY CA C 24 44.900 44.900 44.458 0.442 18220 1683 1 4 . 1 1 33 33 GLY H H 24 8.264 8.264 8.194 0.070 18220 1684 1 4 . 1 1 34 34 GLY N N 25 108.563 108.563 109.956 -1.393 18220 1685 1 4 . 1 1 34 34 GLY C C 25 171.701 171.701 174.000 -2.299 18220 1686 1 4 . 1 1 34 34 GLY CA C 25 44.600 44.600 45.177 -0.577 18220 1687 1 4 . 1 1 34 34 GLY H H 25 8.208 8.208 7.890 0.318 18220 1688 1 4 . 1 1 35 35 VAL N N 26 121.164 121.164 125.558 -4.394 18220 1689 1 4 . 1 1 35 35 VAL HA H 26 4.010 4.010 4.071 -0.061 18220 1690 1 4 . 1 1 35 35 VAL C C 26 175.888 175.888 174.381 1.507 18220 1691 1 4 . 1 1 35 35 VAL CA C 26 63.900 63.900 61.485 2.415 18220 1692 1 4 . 1 1 35 35 VAL CB C 26 30.690 30.690 32.657 -1.967 18220 1693 1 4 . 1 1 35 35 VAL H H 26 8.485 8.485 8.118 0.367 18220 1694 1 4 . 1 1 36 36 PRO C C 27 177.660 177.660 175.804 1.856 18220 1695 1 4 . 1 1 36 36 PRO CA C 27 61.847 61.847 63.255 -1.408 18220 1696 1 4 . 1 1 37 37 SER N N 28 116.023 116.023 115.372 0.651 18220 1697 1 4 . 1 1 37 37 SER HA H 28 4.280 4.280 4.348 -0.068 18220 1698 1 4 . 1 1 37 37 SER CA C 28 61.100 61.100 58.685 2.415 18220 1699 1 4 . 1 1 37 37 SER H H 28 7.948 7.948 8.118 -0.170 18220 1700 1 4 . 1 1 38 38 LEU N N 29 124.029 124.029 124.486 -0.457 18220 1701 1 4 . 1 1 38 38 LEU HA H 29 4.170 4.170 4.007 0.163 18220 1702 1 4 . 1 1 38 38 LEU C C 29 176.132 176.132 178.196 -2.064 18220 1703 1 4 . 1 1 38 38 LEU CA C 29 57.500 57.500 58.326 -0.826 18220 1704 1 4 . 1 1 38 38 LEU CB C 29 42.038 42.038 41.969 0.069 18220 1705 1 4 . 1 1 38 38 LEU H H 29 8.201 8.201 8.199 0.002 18220 1706 1 4 . 1 1 39 39 ILE N N 30 117.098 117.098 118.747 -1.649 18220 1707 1 4 . 1 1 39 39 ILE HA H 30 4.370 4.370 3.618 0.752 18220 1708 1 4 . 1 1 39 39 ILE C C 30 176.478 176.478 177.045 -0.567 18220 1709 1 4 . 1 1 39 39 ILE CA C 30 63.079 63.079 65.257 -2.178 18220 1710 1 4 . 1 1 39 39 ILE CB C 30 36.973 36.973 37.737 -0.764 18220 1711 1 4 . 1 1 39 39 ILE H H 30 7.662 7.662 7.648 0.014 18220 1712 1 4 . 1 1 40 40 ALA N N 31 122.447 122.447 121.453 0.994 18220 1713 1 4 . 1 1 40 40 ALA HA H 31 4.034 4.034 4.062 -0.028 18220 1714 1 4 . 1 1 40 40 ALA C C 31 177.067 177.067 179.956 -2.889 18220 1715 1 4 . 1 1 40 40 ALA CA C 31 55.962 55.962 55.301 0.661 18220 1716 1 4 . 1 1 40 40 ALA CB C 31 17.856 17.856 17.672 0.184 18220 1717 1 4 . 1 1 40 40 ALA H H 31 8.096 8.096 7.685 0.411 18220 1718 1 4 . 1 1 41 41 GLY N N 32 104.056 104.056 106.724 -2.668 18220 1719 1 4 . 1 1 41 41 GLY C C 32 174.251 174.251 176.196 -1.945 18220 1720 1 4 . 1 1 41 41 GLY CA C 32 46.500 46.500 46.886 -0.386 18220 1721 1 4 . 1 1 41 41 GLY H H 32 8.123 8.123 8.167 -0.044 18220 1722 1 4 . 1 1 42 42 LEU N N 33 123.250 123.250 123.750 -0.500 18220 1723 1 4 . 1 1 42 42 LEU HA H 33 3.857 3.857 4.177 -0.320 18220 1724 1 4 . 1 1 42 42 LEU C C 33 176.033 176.033 178.961 -2.928 18220 1725 1 4 . 1 1 42 42 LEU CA C 33 56.668 56.668 57.575 -0.907 18220 1726 1 4 . 1 1 42 42 LEU CB C 33 41.721 41.721 41.247 0.474 18220 1727 1 4 . 1 1 42 42 LEU H H 33 7.914 7.914 8.117 -0.203 18220 1728 1 4 . 1 1 43 43 PHE N N 34 119.757 119.757 118.976 0.781 18220 1729 1 4 . 1 1 43 43 PHE HA H 34 4.200 4.200 4.162 0.038 18220 1730 1 4 . 1 1 43 43 PHE C C 34 174.374 174.374 178.176 -3.802 18220 1731 1 4 . 1 1 43 43 PHE CA C 34 59.876 59.876 62.861 -2.985 18220 1732 1 4 . 1 1 43 43 PHE CB C 34 38.834 38.834 38.691 0.143 18220 1733 1 4 . 1 1 43 43 PHE H H 34 8.287 8.287 8.660 -0.373 18220 1734 1 4 . 1 1 44 44 VAL N N 35 117.791 117.791 119.669 -1.878 18220 1735 1 4 . 1 1 44 44 VAL HA H 35 3.610 3.610 3.645 -0.035 18220 1736 1 4 . 1 1 44 44 VAL C C 35 176.205 176.205 178.374 -2.169 18220 1737 1 4 . 1 1 44 44 VAL CA C 35 64.559 64.559 67.656 -3.097 18220 1738 1 4 . 1 1 44 44 VAL CB C 35 31.432 31.432 31.142 0.290 18220 1739 1 4 . 1 1 44 44 VAL H H 35 8.235 8.235 8.398 -0.163 18220 1740 1 4 . 1 1 45 45 GLY N N 36 108.551 108.551 107.328 1.223 18220 1741 1 4 . 1 1 45 45 GLY C C 36 173.749 173.749 175.980 -2.231 18220 1742 1 4 . 1 1 45 45 GLY CA C 36 46.083 46.083 47.541 -1.458 18220 1743 1 4 . 1 1 45 45 GLY H H 36 8.178 8.178 8.398 -0.220 18220 1744 1 4 . 1 1 46 46 CYS N N 37 121.173 121.173 121.231 -0.058 18220 1745 1 4 . 1 1 46 46 CYS HA H 37 4.180 4.180 4.100 0.080 18220 1746 1 4 . 1 1 46 46 CYS C C 37 173.710 173.710 176.952 -3.242 18220 1747 1 4 . 1 1 46 46 CYS CA C 37 63.000 63.000 64.126 -1.126 18220 1748 1 4 . 1 1 46 46 CYS CB C 37 60.283 60.283 27.283 33.000 18220 1749 1 4 . 1 1 46 46 CYS H H 37 8.253 8.253 8.034 0.219 18220 1750 1 4 . 1 1 47 47 LEU N N 38 120.283 120.283 120.315 -0.032 18220 1751 1 4 . 1 1 47 47 LEU HA H 38 4.060 4.060 3.928 0.132 18220 1752 1 4 . 1 1 47 47 LEU C C 38 176.679 176.679 178.959 -2.280 18220 1753 1 4 . 1 1 47 47 LEU CA C 38 56.027 56.027 57.963 -1.936 18220 1754 1 4 . 1 1 47 47 LEU CB C 38 41.464 41.464 41.301 0.163 18220 1755 1 4 . 1 1 47 47 LEU H H 38 7.965 7.965 8.327 -0.362 18220 1756 1 4 . 1 1 48 48 ALA N N 39 122.249 122.249 120.049 2.200 18220 1757 1 4 . 1 1 48 48 ALA HA H 39 4.142 4.142 4.039 0.103 18220 1758 1 4 . 1 1 48 48 ALA C C 39 177.915 177.915 179.883 -1.968 18220 1759 1 4 . 1 1 48 48 ALA CA C 39 53.717 53.717 55.258 -1.541 18220 1760 1 4 . 1 1 48 48 ALA CB C 39 17.985 17.985 18.198 -0.213 18220 1761 1 4 . 1 1 48 48 ALA H H 39 8.066 8.066 8.271 -0.205 18220 1762 1 4 . 1 1 49 49 GLY N N 40 107.377 107.377 107.248 0.129 18220 1763 1 4 . 1 1 49 49 GLY C C 40 172.527 172.527 175.862 -3.335 18220 1764 1 4 . 1 1 49 49 GLY CA C 40 45.450 45.450 47.059 -1.609 18220 1765 1 4 . 1 1 49 49 GLY H H 40 8.172 8.172 8.200 -0.028 18220 1766 1 4 . 1 1 50 50 TYR N N 41 122.409 122.409 123.571 -1.162 18220 1767 1 4 . 1 1 50 50 TYR HA H 41 3.799 3.799 4.042 -0.243 18220 1768 1 4 . 1 1 50 50 TYR C C 41 174.208 174.208 178.272 -4.064 18220 1769 1 4 . 1 1 50 50 TYR CA C 41 59.245 59.245 61.100 -1.855 18220 1770 1 4 . 1 1 50 50 TYR CB C 41 37.936 37.936 38.207 -0.271 18220 1771 1 4 . 1 1 50 50 TYR H H 41 7.800 7.800 8.398 -0.598 18220 1772 1 4 . 1 1 51 51 GLY N N 42 106.935 106.935 105.962 0.973 18220 1773 1 4 . 1 1 51 51 GLY C C 42 172.642 172.642 175.611 -2.969 18220 1774 1 4 . 1 1 51 51 GLY CA C 42 46.265 46.265 47.024 -0.759 18220 1775 1 4 . 1 1 51 51 GLY H H 42 8.199 8.199 8.242 -0.043 18220 1776 1 4 . 1 1 52 52 ALA N N 43 123.018 123.018 125.495 -2.477 18220 1777 1 4 . 1 1 52 52 ALA HA H 43 4.150 4.150 4.016 0.134 18220 1778 1 4 . 1 1 52 52 ALA C C 43 176.398 176.398 178.871 -2.473 18220 1779 1 4 . 1 1 52 52 ALA CA C 43 52.883 52.883 54.428 -1.545 18220 1780 1 4 . 1 1 52 52 ALA CB C 43 18.241 18.241 18.366 -0.125 18220 1781 1 4 . 1 1 52 52 ALA H H 43 7.758 7.758 8.267 -0.509 18220 1782 1 4 . 1 1 53 53 TYR N N 44 119.664 119.664 118.020 1.644 18220 1783 1 4 . 1 1 53 53 TYR HA H 44 4.318 4.318 4.199 0.119 18220 1784 1 4 . 1 1 53 53 TYR C C 44 174.180 174.180 178.173 -3.993 18220 1785 1 4 . 1 1 53 53 TYR CA C 44 58.593 58.593 61.528 -2.935 18220 1786 1 4 . 1 1 53 53 TYR CB C 44 38.192 38.192 38.590 -0.397 18220 1787 1 4 . 1 1 53 53 TYR H H 44 7.920 7.920 8.108 -0.188 18220 1788 1 4 . 1 1 54 54 ARG N N 45 119.516 119.516 118.937 0.579 18220 1789 1 4 . 1 1 54 54 ARG HA H 45 3.930 3.930 4.151 -0.221 18220 1790 1 4 . 1 1 54 54 ARG C C 45 174.423 174.423 177.718 -3.295 18220 1791 1 4 . 1 1 54 54 ARG CA C 45 56.027 56.027 58.504 -2.477 18220 1792 1 4 . 1 1 54 54 ARG CB C 45 30.173 30.173 31.485 -1.312 18220 1793 1 4 . 1 1 54 54 ARG H H 45 7.956 7.956 8.057 -0.101 18220 1794 1 4 . 1 1 55 55 VAL N N 46 116.437 116.437 121.644 -5.207 18220 1795 1 4 . 1 1 55 55 VAL HA H 46 4.060 4.060 4.182 -0.122 18220 1796 1 4 . 1 1 55 55 VAL C C 46 173.806 173.806 174.956 -1.150 18220 1797 1 4 . 1 1 55 55 VAL CA C 46 62.300 62.300 60.898 1.403 18220 1798 1 4 . 1 1 55 55 VAL CB C 46 31.521 31.521 30.011 1.510 18220 1799 1 4 . 1 1 55 55 VAL H H 46 7.489 7.489 8.567 -1.078 18220 1800 1 4 . 1 1 56 56 SER N N 47 117.185 117.185 119.917 -2.732 18220 1801 1 4 . 1 1 56 56 SER HA H 47 4.401 4.401 4.433 -0.032 18220 1802 1 4 . 1 1 56 56 SER C C 47 172.074 172.074 174.427 -2.353 18220 1803 1 4 . 1 1 56 56 SER CA C 47 58.133 58.133 59.011 -0.878 18220 1804 1 4 . 1 1 56 56 SER CB C 47 63.468 63.468 64.242 -0.774 18220 1805 1 4 . 1 1 56 56 SER H H 47 7.728 7.728 7.861 -0.133 18220 1806 1 4 . 1 1 57 57 ASN N N 48 121.049 121.049 120.896 0.153 18220 1807 1 4 . 1 1 57 57 ASN HA H 48 4.590 4.590 4.650 -0.060 18220 1808 1 4 . 1 1 57 57 ASN CA C 48 53.600 53.600 54.238 -0.638 18220 1809 1 4 . 1 1 57 57 ASN CB C 48 38.641 38.641 38.619 0.022 18220 1810 1 4 . 1 1 57 57 ASN H H 48 8.228 8.228 8.599 -0.371 18220 1811 1 4 . 1 1 58 58 ASP N N 49 120.276 120.276 119.960 0.316 18220 1812 1 4 . 1 1 58 58 ASP HA H 49 4.530 4.530 4.545 -0.015 18220 1813 1 4 . 1 1 58 58 ASP CA C 49 54.202 54.202 54.568 -0.366 18220 1814 1 4 . 1 1 58 58 ASP CB C 49 40.374 40.374 40.976 -0.602 18220 1815 1 4 . 1 1 58 58 ASP H H 49 8.192 8.192 8.360 -0.168 18220 1816 1 4 . 1 1 59 59 LYS N N 50 120.660 120.660 119.761 0.899 18220 1817 1 4 . 1 1 59 59 LYS HA H 50 4.200 4.200 3.876 0.324 18220 1818 1 4 . 1 1 59 59 LYS C C 50 173.474 173.474 175.274 -1.800 18220 1819 1 4 . 1 1 59 59 LYS CA C 50 56.300 56.300 57.614 -1.314 18220 1820 1 4 . 1 1 59 59 LYS CB C 50 32.034 32.034 32.807 -0.773 18220 1821 1 4 . 1 1 59 59 LYS H H 50 8.003 8.003 8.190 -0.187 18220 1822 1 4 . 1 1 60 60 ARG N N 51 121.278 121.278 118.083 3.195 18220 1823 1 4 . 1 1 60 60 ARG HA H 51 4.200 4.200 4.283 -0.083 18220 1824 1 4 . 1 1 60 60 ARG C C 51 173.303 173.303 173.696 -0.393 18220 1825 1 4 . 1 1 60 60 ARG CA C 51 56.283 56.283 56.106 0.177 18220 1826 1 4 . 1 1 60 60 ARG CB C 51 30.238 30.238 31.728 -1.490 18220 1827 1 4 . 1 1 60 60 ARG H H 51 8.091 8.091 8.165 -0.074 18220 1828 1 4 . 1 1 61 61 ASP N N 52 121.185 121.185 127.427 -6.242 18220 1829 1 4 . 1 1 61 61 ASP HA H 52 4.615 4.615 4.454 0.161 18220 1830 1 4 . 1 1 61 61 ASP C C 52 173.777 173.777 177.502 -3.725 18220 1831 1 4 . 1 1 61 61 ASP CA C 52 53.979 53.979 56.132 -2.153 18220 1832 1 4 . 1 1 61 61 ASP CB C 52 40.245 40.245 41.395 -1.150 18220 1833 1 4 . 1 1 61 61 ASP H H 52 8.261 8.261 8.721 -0.460 18220 1834 1 4 . 1 1 62 62 VAL N N 53 121.902 121.902 124.058 -2.156 18220 1835 1 4 . 1 1 62 62 VAL HA H 53 3.950 3.950 3.426 0.524 18220 1836 1 4 . 1 1 62 62 VAL C C 53 173.279 173.279 177.861 -4.582 18220 1837 1 4 . 1 1 62 62 VAL CA C 53 63.176 63.176 65.879 -2.703 18220 1838 1 4 . 1 1 62 62 VAL CB C 53 32.099 32.099 30.675 1.424 18220 1839 1 4 . 1 1 62 62 VAL H H 53 7.997 7.997 8.456 -0.459 18220 1840 1 4 . 1 1 63 63 LYS N N 54 123.522 123.522 120.206 3.316 18220 1841 1 4 . 1 1 63 63 LYS HA H 54 4.260 4.260 4.010 0.251 18220 1842 1 4 . 1 1 63 63 LYS C C 54 174.481 174.481 178.599 -4.118 18220 1843 1 4 . 1 1 63 63 LYS CA C 54 56.347 56.347 59.353 -3.006 18220 1844 1 4 . 1 1 63 63 LYS CB C 54 32.099 32.099 32.241 -0.142 18220 1845 1 4 . 1 1 63 63 LYS H H 54 8.054 8.054 8.072 -0.018 18220 1846 1 4 . 1 1 64 64 VAL N N 55 120.647 120.647 119.298 1.349 18220 1847 1 4 . 1 1 64 64 VAL HA H 55 3.947 3.947 3.431 0.516 18220 1848 1 4 . 1 1 64 64 VAL C C 55 174.955 174.955 177.375 -2.420 18220 1849 1 4 . 1 1 64 64 VAL CA C 55 64.600 64.600 66.522 -1.923 18220 1850 1 4 . 1 1 64 64 VAL CB C 55 31.877 31.877 31.790 0.087 18220 1851 1 4 . 1 1 64 64 VAL H H 55 8.225 8.225 8.541 -0.316 18220 1852 1 4 . 1 1 65 65 SER N N 56 117.785 117.785 114.429 3.356 18220 1853 1 4 . 1 1 65 65 SER HA H 56 4.390 4.390 4.130 0.260 18220 1854 1 4 . 1 1 65 65 SER C C 56 172.300 172.300 176.671 -4.371 18220 1855 1 4 . 1 1 65 65 SER CA C 56 60.000 60.000 61.735 -1.735 18220 1856 1 4 . 1 1 65 65 SER CB C 56 62.879 62.879 62.772 0.107 18220 1857 1 4 . 1 1 65 65 SER H H 56 8.260 8.260 7.973 0.287 18220 1858 1 4 . 1 1 66 66 LEU N N 57 123.318 123.318 122.036 1.282 18220 1859 1 4 . 1 1 66 66 LEU HA H 57 4.090 4.090 4.144 -0.054 18220 1860 1 4 . 1 1 66 66 LEU C C 57 175.932 175.932 179.502 -3.570 18220 1861 1 4 . 1 1 66 66 LEU CA C 57 57.502 57.502 58.129 -0.627 18220 1862 1 4 . 1 1 66 66 LEU CB C 57 41.721 41.721 41.392 0.328 18220 1863 1 4 . 1 1 66 66 LEU H H 57 8.091 8.091 7.682 0.409 18220 1864 1 4 . 1 1 67 67 PHE N N 58 118.020 118.020 117.565 0.455 18220 1865 1 4 . 1 1 67 67 PHE HA H 58 4.330 4.330 4.443 -0.113 18220 1866 1 4 . 1 1 67 67 PHE C C 58 174.912 174.912 178.589 -3.677 18220 1867 1 4 . 1 1 67 67 PHE CA C 58 60.600 60.600 61.363 -0.763 18220 1868 1 4 . 1 1 67 67 PHE CB C 58 38.552 38.552 38.332 0.220 18220 1869 1 4 . 1 1 67 67 PHE H H 58 8.066 8.066 8.743 -0.677 18220 1870 1 4 . 1 1 68 68 THR N N 59 115.324 115.324 117.896 -2.572 18220 1871 1 4 . 1 1 68 68 THR HA H 59 4.310 4.310 4.167 0.143 18220 1872 1 4 . 1 1 68 68 THR C C 59 173.380 173.380 176.451 -3.071 18220 1873 1 4 . 1 1 68 68 THR CA C 59 66.313 66.313 67.687 -1.374 18220 1874 1 4 . 1 1 68 68 THR CB C 59 67.700 67.700 68.918 -1.218 18220 1875 1 4 . 1 1 68 68 THR H H 59 8.287 8.287 8.328 -0.041 18220 1876 1 4 . 1 1 69 69 ALA N N 60 123.621 123.621 124.086 -0.465 18220 1877 1 4 . 1 1 69 69 ALA HA H 60 4.280 4.280 4.267 0.013 18220 1878 1 4 . 1 1 69 69 ALA C C 60 176.978 176.978 179.379 -2.401 18220 1879 1 4 . 1 1 69 69 ALA CA C 60 55.100 55.100 54.991 0.109 18220 1880 1 4 . 1 1 69 69 ALA CB C 60 17.728 17.728 18.155 -0.427 18220 1881 1 4 . 1 1 69 69 ALA H H 60 7.983 7.983 8.577 -0.594 18220 1882 1 4 . 1 1 70 70 PHE N N 61 118.520 118.520 120.675 -2.155 18220 1883 1 4 . 1 1 70 70 PHE HA H 61 4.260 4.260 4.148 0.112 18220 1884 1 4 . 1 1 70 70 PHE C C 61 175.369 175.369 176.841 -1.472 18220 1885 1 4 . 1 1 70 70 PHE CA C 61 60.179 60.179 61.981 -1.802 18220 1886 1 4 . 1 1 70 70 PHE CB C 61 38.706 38.706 39.269 -0.563 18220 1887 1 4 . 1 1 70 70 PHE H H 61 8.007 8.007 8.295 -0.288 18220 1888 1 4 . 1 1 71 71 PHE N N 62 122.314 122.314 119.699 2.615 18220 1889 1 4 . 1 1 71 71 PHE HA H 62 4.000 4.000 4.062 -0.062 18220 1890 1 4 . 1 1 71 71 PHE C C 62 174.697 174.697 177.388 -2.691 18220 1891 1 4 . 1 1 71 71 PHE CA C 62 60.517 60.517 61.799 -1.282 18220 1892 1 4 . 1 1 71 71 PHE CB C 62 38.770 38.770 39.252 -0.482 18220 1893 1 4 . 1 1 71 71 PHE H H 62 8.546 8.546 8.326 0.220 18220 1894 1 4 . 1 1 72 72 LEU N N 63 119.399 119.399 120.376 -0.977 18220 1895 1 4 . 1 1 72 72 LEU HA H 63 3.870 3.870 3.752 0.118 18220 1896 1 4 . 1 1 72 72 LEU C C 63 175.774 175.774 178.514 -2.740 18220 1897 1 4 . 1 1 72 72 LEU CA C 63 56.925 56.925 58.575 -1.650 18220 1898 1 4 . 1 1 72 72 LEU CB C 63 41.207 41.207 41.851 -0.644 18220 1899 1 4 . 1 1 72 72 LEU H H 63 8.396 8.396 8.359 0.037 18220 1900 1 4 . 1 1 73 73 ALA N N 64 120.221 120.221 120.125 0.096 18220 1901 1 4 . 1 1 73 73 ALA HA H 64 3.960 3.960 3.796 0.164 18220 1902 1 4 . 1 1 73 73 ALA C C 64 177.267 177.267 179.349 -2.082 18220 1903 1 4 . 1 1 73 73 ALA CA C 64 54.600 54.600 55.413 -0.813 18220 1904 1 4 . 1 1 73 73 ALA CB C 64 17.784 17.784 17.883 -0.099 18220 1905 1 4 . 1 1 73 73 ALA H H 64 8.025 8.025 8.319 -0.294 18220 1906 1 4 . 1 1 74 74 THR N N 65 113.648 113.648 114.379 -0.731 18220 1907 1 4 . 1 1 74 74 THR HA H 65 3.980 3.980 3.850 0.130 18220 1908 1 4 . 1 1 74 74 THR CA C 65 66.291 66.291 66.956 -0.665 18220 1909 1 4 . 1 1 74 74 THR CB C 65 67.914 67.914 68.430 -0.516 18220 1910 1 4 . 1 1 74 74 THR H H 65 7.717 7.717 7.807 -0.090 18220 1911 1 4 . 1 1 75 75 ILE N N 66 120.291 120.291 119.233 1.058 18220 1912 1 4 . 1 1 75 75 ILE HA H 66 3.740 3.740 3.635 0.105 18220 1913 1 4 . 1 1 75 75 ILE C C 66 174.951 174.951 177.023 -2.072 18220 1914 1 4 . 1 1 75 75 ILE CA C 66 64.880 64.880 63.600 1.280 18220 1915 1 4 . 1 1 75 75 ILE CB C 66 37.166 37.166 37.876 -0.710 18220 1916 1 4 . 1 1 75 75 ILE H H 66 7.738 7.738 7.791 -0.053 18220 1917 1 4 . 1 1 76 76 MET N N 67 117.618 117.618 118.612 -0.994 18220 1918 1 4 . 1 1 76 76 MET HA H 67 4.220 4.220 4.364 -0.144 18220 1919 1 4 . 1 1 76 76 MET C C 67 175.142 175.142 177.143 -2.001 18220 1920 1 4 . 1 1 76 76 MET CA C 67 56.723 56.723 56.469 0.254 18220 1921 1 4 . 1 1 76 76 MET CB C 67 31.951 31.951 33.937 -1.986 18220 1922 1 4 . 1 1 76 76 MET H H 67 7.823 7.823 7.904 -0.081 18220 1923 1 4 . 1 1 77 77 GLY N N 68 107.110 107.110 108.772 -1.662 18220 1924 1 4 . 1 1 77 77 GLY C C 68 172.260 172.260 173.569 -1.309 18220 1925 1 4 . 1 1 77 77 GLY CA C 68 45.800 45.800 44.889 0.911 18220 1926 1 4 . 1 1 77 77 GLY H H 68 7.937 7.937 8.450 -0.513 18220 1927 1 4 . 1 1 78 78 VAL N N 69 120.431 120.431 120.427 0.004 18220 1928 1 4 . 1 1 78 78 VAL HA H 69 4.220 4.220 4.222 -0.002 18220 1929 1 4 . 1 1 78 78 VAL CA C 69 63.900 63.900 61.455 2.446 18220 1930 1 4 . 1 1 78 78 VAL CB C 69 31.506 31.506 33.487 -1.981 18220 1931 1 4 . 1 1 78 78 VAL H H 69 7.697 7.697 7.718 -0.021 18220 1932 1 4 . 1 1 79 79 ARG N N 70 121.420 121.420 125.114 -3.694 18220 1933 1 4 . 1 1 79 79 ARG HA H 70 3.810 3.810 4.581 -0.771 18220 1934 1 4 . 1 1 79 79 ARG CA C 70 56.400 56.400 55.490 0.910 18220 1935 1 4 . 1 1 79 79 ARG CB C 70 30.097 30.097 31.479 -1.382 18220 1936 1 4 . 1 1 79 79 ARG H H 70 7.889 7.889 8.467 -0.578 18220 1937 1 4 . 1 1 80 80 PHE N N 71 119.949 119.949 121.262 -1.313 18220 1938 1 4 . 1 1 80 80 PHE HA H 71 4.510 4.510 4.437 0.073 18220 1939 1 4 . 1 1 80 80 PHE CA C 71 58.600 58.600 58.148 0.452 18220 1940 1 4 . 1 1 80 80 PHE CB C 71 39.145 39.145 39.183 -0.038 18220 1941 1 4 . 1 1 80 80 PHE H H 71 8.101 8.101 8.597 -0.496 18220 1942 1 4 . 1 1 81 81 LYS N N 72 122.193 122.193 124.756 -2.563 18220 1943 1 4 . 1 1 81 81 LYS CA C 72 56.800 56.800 57.166 -0.366 18220 1944 1 4 . 1 1 81 81 LYS CB C 72 32.322 32.322 32.201 0.121 18220 1945 1 4 . 1 1 81 81 LYS H H 72 8.090 8.090 8.690 -0.600 18220 1946 1 4 . 1 1 82 82 ARG N N 73 119.650 119.650 122.253 -2.603 18220 1947 1 4 . 1 1 82 82 ARG CA C 73 56.089 56.089 56.116 -0.027 18220 1948 1 4 . 1 1 82 82 ARG CB C 73 30.171 30.171 31.570 -1.399 18220 1949 1 4 . 1 1 82 82 ARG H H 73 8.052 8.052 8.705 -0.653 18220 1950 1 4 . 1 1 83 83 SER N N 74 115.734 115.734 115.816 -0.082 18220 1951 1 4 . 1 1 83 83 SER CA C 74 58.355 58.355 57.727 0.628 18220 1952 1 4 . 1 1 83 83 SER CB C 74 63.404 63.404 64.353 -0.950 18220 1953 1 4 . 1 1 83 83 SER H H 74 7.912 7.912 8.153 -0.241 18220 1954 1 4 . 1 1 84 84 LYS N N 75 122.370 122.370 121.079 1.291 18220 1955 1 4 . 1 1 84 84 LYS CA C 75 56.135 56.135 55.664 0.471 18220 1956 1 4 . 1 1 84 84 LYS CB C 75 32.175 32.175 33.548 -1.373 18220 1957 1 4 . 1 1 84 84 LYS H H 75 8.067 8.067 8.372 -0.305 18220 1958 1 4 . 1 1 86 86 ILE N N 77 119.592 119.592 124.134 -4.542 18220 1959 1 4 . 1 1 86 86 ILE HA H 77 3.810 3.810 4.003 -0.193 18220 1960 1 4 . 1 1 86 86 ILE CA C 77 64.900 64.900 61.407 3.493 18220 1961 1 4 . 1 1 86 86 ILE CB C 77 39.145 39.145 36.966 2.179 18220 1962 1 4 . 1 1 86 86 ILE H H 77 7.837 7.837 8.139 -0.302 18220 1963 1 4 . 1 1 87 87 MET N N 78 121.645 121.645 121.833 -0.188 18220 1964 1 4 . 1 1 87 87 MET CA C 78 52.982 52.982 52.419 0.563 18220 1965 1 4 . 1 1 87 87 MET CB C 78 32.173 32.173 33.410 -1.237 18220 1966 1 4 . 1 1 87 87 MET H H 78 7.950 7.950 8.492 -0.542 18220 1967 1 4 . 1 1 88 88 PRO HA H 79 4.140 4.140 4.621 -0.481 18220 1968 1 4 . 1 1 88 88 PRO C C 79 173.921 173.921 176.234 -2.313 18220 1969 1 4 . 1 1 88 88 PRO CA C 79 62.800 62.800 62.600 0.200 18220 1970 1 4 . 1 1 88 88 PRO CB C 79 31.136 31.136 29.197 1.939 18220 1971 1 4 . 1 1 89 89 ALA N N 80 124.431 124.431 123.295 1.136 18220 1972 1 4 . 1 1 89 89 ALA HA H 80 4.400 4.400 4.124 0.276 18220 1973 1 4 . 1 1 89 89 ALA C C 80 176.234 176.234 179.414 -3.180 18220 1974 1 4 . 1 1 89 89 ALA CA C 80 53.300 53.300 54.716 -1.416 18220 1975 1 4 . 1 1 89 89 ALA CB C 80 18.498 18.498 18.744 -0.246 18220 1976 1 4 . 1 1 89 89 ALA H H 80 8.320 8.320 8.386 -0.066 18220 1977 1 4 . 1 1 90 90 GLY N N 81 106.834 106.834 107.876 -1.042 18220 1978 1 4 . 1 1 90 90 GLY C C 81 172.398 172.398 175.899 -3.501 18220 1979 1 4 . 1 1 90 90 GLY CA C 81 45.600 45.600 47.291 -1.691 18220 1980 1 4 . 1 1 90 90 GLY H H 81 8.458 8.458 8.614 -0.156 18220 1981 1 4 . 1 1 91 91 LEU N N 82 121.043 121.043 122.155 -1.112 18220 1982 1 4 . 1 1 91 91 LEU HA H 82 4.200 4.200 3.936 0.264 18220 1983 1 4 . 1 1 91 91 LEU C C 82 174.783 174.783 178.869 -4.086 18220 1984 1 4 . 1 1 91 91 LEU CA C 82 56.300 56.300 58.120 -1.820 18220 1985 1 4 . 1 1 91 91 LEU CB C 82 42.106 42.106 41.902 0.204 18220 1986 1 4 . 1 1 91 91 LEU H H 82 7.687 7.687 7.561 0.126 18220 1987 1 4 . 1 1 92 92 VAL N N 83 114.737 114.737 118.425 -3.688 18220 1988 1 4 . 1 1 92 92 VAL HA H 83 3.980 3.980 3.580 0.400 18220 1989 1 4 . 1 1 92 92 VAL C C 83 173.634 173.634 177.902 -4.268 18220 1990 1 4 . 1 1 92 92 VAL CA C 83 62.400 62.400 65.291 -2.891 18220 1991 1 4 . 1 1 92 92 VAL CB C 83 31.585 31.585 30.669 0.916 18220 1992 1 4 . 1 1 92 92 VAL H H 83 7.602 7.602 7.818 -0.216 18220 1993 1 4 . 1 1 93 93 ALA N N 84 124.320 124.320 121.776 2.544 18220 1994 1 4 . 1 1 93 93 ALA HA H 84 4.150 4.150 4.094 0.056 18220 1995 1 4 . 1 1 93 93 ALA C C 84 175.746 175.746 179.948 -4.202 18220 1996 1 4 . 1 1 93 93 ALA CA C 84 53.300 53.300 55.282 -1.982 18220 1997 1 4 . 1 1 93 93 ALA CB C 84 18.241 18.241 18.061 0.180 18220 1998 1 4 . 1 1 93 93 ALA H H 84 7.891 7.891 8.127 -0.236 18220 1999 1 4 . 1 1 94 94 GLY N N 85 106.807 106.807 107.999 -1.192 18220 2000 1 4 . 1 1 94 94 GLY C C 85 171.752 171.752 175.650 -3.898 18220 2001 1 4 . 1 1 94 94 GLY CA C 85 45.249 45.249 46.654 -1.405 18220 2002 1 4 . 1 1 94 94 GLY H H 85 8.204 8.204 8.296 -0.092 18220 2003 1 4 . 1 1 95 95 LEU N N 86 121.266 121.266 122.866 -1.600 18220 2004 1 4 . 1 1 95 95 LEU HA H 86 4.380 4.380 3.985 0.395 18220 2005 1 4 . 1 1 95 95 LEU C C 86 173.702 173.702 178.514 -4.812 18220 2006 1 4 . 1 1 95 95 LEU CA C 86 55.000 55.000 57.645 -2.645 18220 2007 1 4 . 1 1 95 95 LEU CB C 86 42.298 42.298 41.713 0.585 18220 2008 1 4 . 1 1 95 95 LEU H H 86 7.718 7.718 8.097 -0.379 18220 2009 1 4 . 1 1 96 96 SER N N 87 115.658 115.658 114.700 0.958 18220 2010 1 4 . 1 1 96 96 SER HA H 87 4.370 4.370 4.115 0.255 18220 2011 1 4 . 1 1 96 96 SER C C 87 172.479 172.479 176.587 -4.108 18220 2012 1 4 . 1 1 96 96 SER CA C 87 57.200 57.200 61.887 -4.687 18220 2013 1 4 . 1 1 96 96 SER CB C 87 64.174 64.174 63.092 1.082 18220 2014 1 4 . 1 1 96 96 SER H H 87 7.659 7.659 8.050 -0.391 18220 2015 1 4 . 1 1 97 97 LEU N N 88 123.720 123.720 122.529 1.191 18220 2016 1 4 . 1 1 97 97 LEU HA H 88 4.600 4.600 3.962 0.638 18220 2017 1 4 . 1 1 97 97 LEU C C 88 175.932 175.932 179.275 -3.343 18220 2018 1 4 . 1 1 97 97 LEU CA C 88 57.600 57.600 58.109 -0.509 18220 2019 1 4 . 1 1 97 97 LEU CB C 88 41.400 41.400 41.383 0.017 18220 2020 1 4 . 1 1 97 97 LEU H H 88 8.733 8.733 8.192 0.541 18220 2021 1 4 . 1 1 98 98 MET N N 89 116.684 116.684 118.101 -1.417 18220 2022 1 4 . 1 1 98 98 MET HA H 89 4.280 4.280 3.995 0.285 18220 2023 1 4 . 1 1 98 98 MET C C 89 175.789 175.789 178.404 -2.615 18220 2024 1 4 . 1 1 98 98 MET CA C 89 56.915 56.915 59.294 -2.379 18220 2025 1 4 . 1 1 98 98 MET CB C 89 31.007 31.007 32.647 -1.640 18220 2026 1 4 . 1 1 98 98 MET H H 89 8.342 8.342 8.248 0.094 18220 2027 1 4 . 1 1 99 99 MET N N 90 119.182 119.182 119.398 -0.216 18220 2028 1 4 . 1 1 99 99 MET HA H 90 4.110 4.110 4.009 0.101 18220 2029 1 4 . 1 1 99 99 MET C C 90 175.588 175.588 178.391 -2.803 18220 2030 1 4 . 1 1 99 99 MET CA C 90 57.951 57.951 59.927 -1.976 18220 2031 1 4 . 1 1 99 99 MET CB C 90 32.226 32.226 32.683 -0.457 18220 2032 1 4 . 1 1 99 99 MET H H 90 7.720 7.720 7.951 -0.231 18220 2033 1 4 . 1 1 100 100 ILE N N 91 119.077 119.077 117.724 1.353 18220 2034 1 4 . 1 1 100 100 ILE HA H 91 4.110 4.110 3.657 0.453 18220 2035 1 4 . 1 1 100 100 ILE C C 91 174.634 174.634 177.538 -2.904 18220 2036 1 4 . 1 1 100 100 ILE CA C 91 64.100 64.100 64.663 -0.563 18220 2037 1 4 . 1 1 100 100 ILE CB C 91 37.143 37.143 37.006 0.137 18220 2038 1 4 . 1 1 100 100 ILE H H 91 7.662 7.662 8.041 -0.379 18220 2039 1 4 . 1 1 101 101 LEU N N 92 119.646 119.646 120.143 -0.497 18220 2040 1 4 . 1 1 101 101 LEU HA H 92 4.530 4.530 3.926 0.604 18220 2041 1 4 . 1 1 101 101 LEU C C 92 175.430 175.430 179.469 -4.039 18220 2042 1 4 . 1 1 101 101 LEU CA C 92 57.800 57.800 58.403 -0.603 18220 2043 1 4 . 1 1 101 101 LEU CB C 92 40.758 40.758 41.484 -0.726 18220 2044 1 4 . 1 1 101 101 LEU H H 92 8.142 8.142 7.986 0.156 18220 2045 1 4 . 1 1 102 102 ARG N N 93 116.394 116.394 118.578 -2.184 18220 2046 1 4 . 1 1 102 102 ARG HA H 93 4.140 4.140 4.092 0.048 18220 2047 1 4 . 1 1 102 102 ARG C C 93 175.961 175.961 178.657 -2.696 18220 2048 1 4 . 1 1 102 102 ARG CA C 93 59.100 59.100 58.574 0.526 18220 2049 1 4 . 1 1 102 102 ARG CB C 93 29.404 29.404 29.787 -0.383 18220 2050 1 4 . 1 1 102 102 ARG H H 93 7.893 7.893 8.147 -0.254 18220 2051 1 4 . 1 1 103 103 LEU N N 94 119.114 119.114 121.814 -2.700 18220 2052 1 4 . 1 1 103 103 LEU HA H 94 4.110 4.110 4.015 0.095 18220 2053 1 4 . 1 1 103 103 LEU C C 94 175.889 175.889 178.619 -2.730 18220 2054 1 4 . 1 1 103 103 LEU CA C 94 57.300 57.300 58.474 -1.174 18220 2055 1 4 . 1 1 103 103 LEU CB C 94 41.296 41.296 41.729 -0.433 18220 2056 1 4 . 1 1 103 103 LEU H H 94 7.622 7.622 8.093 -0.471 18220 2057 1 4 . 1 1 104 104 VAL N N 95 117.704 117.704 117.242 0.462 18220 2058 1 4 . 1 1 104 104 VAL HA H 95 3.530 3.530 3.852 -0.322 18220 2059 1 4 . 1 1 104 104 VAL C C 95 175.042 175.042 178.077 -3.035 18220 2060 1 4 . 1 1 104 104 VAL CA C 95 66.419 66.419 65.154 1.265 18220 2061 1 4 . 1 1 104 104 VAL CB C 95 31.357 31.357 31.896 -0.539 18220 2062 1 4 . 1 1 104 104 VAL H H 95 8.026 8.026 7.377 0.649 18220 2063 1 4 . 1 1 105 105 LEU N N 96 117.185 117.185 121.777 -4.592 18220 2064 1 4 . 1 1 105 105 LEU HA H 96 3.980 3.980 3.938 0.042 18220 2065 1 4 . 1 1 105 105 LEU C C 96 176.579 176.579 178.629 -2.050 18220 2066 1 4 . 1 1 105 105 LEU CA C 96 56.800 56.800 58.215 -1.415 18220 2067 1 4 . 1 1 105 105 LEU CB C 96 40.951 40.951 41.951 -1.000 18220 2068 1 4 . 1 1 105 105 LEU H H 96 7.893 7.893 7.563 0.330 18220 2069 1 4 . 1 1 106 106 LEU N N 97 118.471 118.471 119.301 -0.830 18220 2070 1 4 . 1 1 106 106 LEU HA H 97 4.180 4.180 3.919 0.261 18220 2071 1 4 . 1 1 106 106 LEU C C 97 175.802 175.802 178.554 -2.752 18220 2072 1 4 . 1 1 106 106 LEU CA C 97 56.300 56.300 58.081 -1.781 18220 2073 1 4 . 1 1 106 106 LEU CB C 97 41.592 41.592 41.949 -0.357 18220 2074 1 4 . 1 1 106 106 LEU H H 97 7.545 7.545 8.297 -0.752 18220 2075 1 4 . 1 1 107 107 LEU N N 98 118.162 118.162 118.686 -0.524 18220 2076 1 4 . 1 1 107 107 LEU HA H 98 4.230 4.230 4.117 0.113 18220 2077 1 4 . 1 1 107 107 LEU C C 98 174.174 174.174 177.738 -3.564 18220 2078 1 4 . 1 1 107 107 LEU CA C 98 56.283 56.283 56.974 -0.691 18220 2079 1 4 . 1 1 107 107 LEU CB C 98 42.362 42.362 42.545 -0.183 18220 2080 1 4 . 1 1 107 107 LEU H H 98 7.688 7.688 8.083 -0.395 18220 2081 1 5 . 1 1 11 11 ASP N N 2 120.536 120.536 120.822 -0.286 18220 2082 1 5 . 1 1 11 11 ASP CA C 2 55.918 55.918 54.226 1.692 18220 2083 1 5 . 1 1 11 11 ASP CB C 2 37.959 37.959 41.368 -3.409 18220 2084 1 5 . 1 1 11 11 ASP H H 2 7.863 7.863 8.708 -0.845 18220 2085 1 5 . 1 1 12 12 LEU N N 3 121.414 121.414 121.582 -0.168 18220 2086 1 5 . 1 1 12 12 LEU C C 3 176.162 176.162 176.523 -0.361 18220 2087 1 5 . 1 1 12 12 LEU CA C 3 57.600 57.600 54.157 3.443 18220 2088 1 5 . 1 1 12 12 LEU CB C 3 41.657 41.657 43.410 -1.753 18220 2089 1 5 . 1 1 12 12 LEU H H 3 8.285 8.285 7.561 0.724 18220 2090 1 5 . 1 1 13 13 ILE N N 4 118.854 118.854 119.340 -0.486 18220 2091 1 5 . 1 1 13 13 ILE HA H 4 3.740 3.740 4.351 -0.612 18220 2092 1 5 . 1 1 13 13 ILE C C 4 175.228 175.228 176.540 -1.312 18220 2093 1 5 . 1 1 13 13 ILE CA C 4 64.500 64.500 61.072 3.428 18220 2094 1 5 . 1 1 13 13 ILE CB C 4 37.102 37.102 38.857 -1.755 18220 2095 1 5 . 1 1 13 13 ILE H H 4 8.031 8.031 8.043 -0.012 18220 2096 1 5 . 1 1 14 14 GLY N N 5 107.478 107.478 106.642 0.836 18220 2097 1 5 . 1 1 14 14 GLY C C 5 174.424 174.424 174.274 0.150 18220 2098 1 5 . 1 1 14 14 GLY CA C 5 47.059 47.059 44.592 2.467 18220 2099 1 5 . 1 1 14 14 GLY H H 5 8.148 8.148 7.619 0.529 18220 2100 1 5 . 1 1 15 15 PHE N N 6 122.774 122.774 120.143 2.631 18220 2101 1 5 . 1 1 15 15 PHE HA H 6 4.480 4.480 4.589 -0.109 18220 2102 1 5 . 1 1 15 15 PHE C C 6 175.113 175.113 177.601 -2.488 18220 2103 1 5 . 1 1 15 15 PHE CA C 6 60.017 60.017 59.561 0.456 18220 2104 1 5 . 1 1 15 15 PHE CB C 6 38.774 38.774 39.383 -0.609 18220 2105 1 5 . 1 1 15 15 PHE H H 6 8.194 8.194 8.872 -0.678 18220 2106 1 5 . 1 1 16 16 GLY N N 7 107.938 107.938 108.607 -0.669 18220 2107 1 5 . 1 1 16 16 GLY C C 7 171.838 171.838 176.037 -4.199 18220 2108 1 5 . 1 1 16 16 GLY CA C 7 47.100 47.100 47.658 -0.558 18220 2109 1 5 . 1 1 16 16 GLY H H 7 8.697 8.697 8.621 0.076 18220 2110 1 5 . 1 1 17 17 TYR N N 8 121.785 121.785 122.485 -0.700 18220 2111 1 5 . 1 1 17 17 TYR HA H 8 4.150 4.150 4.122 0.028 18220 2112 1 5 . 1 1 17 17 TYR C C 8 174.180 174.180 177.968 -3.788 18220 2113 1 5 . 1 1 17 17 TYR CA C 8 61.300 61.300 61.401 -0.101 18220 2114 1 5 . 1 1 17 17 TYR CB C 8 37.959 37.959 38.119 -0.160 18220 2115 1 5 . 1 1 17 17 TYR H H 8 8.710 8.710 8.437 0.273 18220 2116 1 5 . 1 1 18 18 ALA N N 9 120.233 120.233 120.588 -0.355 18220 2117 1 5 . 1 1 18 18 ALA HA H 9 3.950 3.950 3.958 -0.008 18220 2118 1 5 . 1 1 18 18 ALA C C 9 178.059 178.059 179.261 -1.202 18220 2119 1 5 . 1 1 18 18 ALA CA C 9 54.872 54.872 55.209 -0.337 18220 2120 1 5 . 1 1 18 18 ALA CB C 9 17.562 17.562 17.581 -0.019 18220 2121 1 5 . 1 1 18 18 ALA H H 9 7.843 7.843 8.235 -0.392 18220 2122 1 5 . 1 1 19 19 ALA N N 10 121.797 121.797 121.572 0.225 18220 2123 1 5 . 1 1 19 19 ALA HA H 10 3.950 3.950 4.254 -0.304 18220 2124 1 5 . 1 1 19 19 ALA C C 10 176.191 176.191 179.782 -3.591 18220 2125 1 5 . 1 1 19 19 ALA CA C 10 54.600 54.600 54.718 -0.118 18220 2126 1 5 . 1 1 19 19 ALA CB C 10 17.562 17.562 18.239 -0.677 18220 2127 1 5 . 1 1 19 19 ALA H H 10 8.212 8.212 7.840 0.372 18220 2128 1 5 . 1 1 20 20 LEU N N 11 119.442 119.442 120.448 -1.006 18220 2129 1 5 . 1 1 20 20 LEU HA H 11 3.937 3.937 4.032 -0.095 18220 2130 1 5 . 1 1 20 20 LEU C C 11 176.694 176.694 179.167 -2.473 18220 2131 1 5 . 1 1 20 20 LEU CA C 11 57.800 57.800 57.920 -0.120 18220 2132 1 5 . 1 1 20 20 LEU CB C 11 41.222 41.222 41.023 0.199 18220 2133 1 5 . 1 1 20 20 LEU H H 11 8.065 8.065 8.055 0.010 18220 2134 1 5 . 1 1 21 21 VAL N N 12 118.323 118.323 119.538 -1.215 18220 2135 1 5 . 1 1 21 21 VAL HA H 12 3.640 3.640 3.522 0.118 18220 2136 1 5 . 1 1 21 21 VAL C C 12 176.536 176.536 178.121 -1.585 18220 2137 1 5 . 1 1 21 21 VAL CA C 12 65.400 65.400 67.501 -2.100 18220 2138 1 5 . 1 1 21 21 VAL CB C 12 31.135 31.135 31.683 -0.548 18220 2139 1 5 . 1 1 21 21 VAL H H 12 8.051 8.051 8.600 -0.549 18220 2140 1 5 . 1 1 22 22 THR N N 13 118.298 118.298 116.526 1.772 18220 2141 1 5 . 1 1 22 22 THR HA H 13 4.660 4.660 3.902 0.758 18220 2142 1 5 . 1 1 22 22 THR C C 13 173.734 173.734 176.723 -2.989 18220 2143 1 5 . 1 1 22 22 THR CA C 13 66.300 66.300 67.004 -0.704 18220 2144 1 5 . 1 1 22 22 THR CB C 13 67.775 67.775 68.632 -0.857 18220 2145 1 5 . 1 1 22 22 THR H H 13 7.944 7.944 8.056 -0.112 18220 2146 1 5 . 1 1 23 23 PHE N N 14 121.328 121.328 121.517 -0.189 18220 2147 1 5 . 1 1 23 23 PHE HA H 14 4.340 4.340 4.147 0.193 18220 2148 1 5 . 1 1 23 23 PHE C C 14 174.783 174.783 177.772 -2.989 18220 2149 1 5 . 1 1 23 23 PHE CA C 14 60.500 60.500 61.762 -1.262 18220 2150 1 5 . 1 1 23 23 PHE CB C 14 38.626 38.626 38.810 -0.185 18220 2151 1 5 . 1 1 23 23 PHE H H 14 8.567 8.567 8.472 0.095 18220 2152 1 5 . 1 1 24 24 GLY N N 15 106.871 106.871 106.869 0.002 18220 2153 1 5 . 1 1 24 24 GLY C C 15 172.858 172.858 176.359 -3.501 18220 2154 1 5 . 1 1 24 24 GLY CA C 15 46.900 46.900 47.151 -0.251 18220 2155 1 5 . 1 1 24 24 GLY H H 15 8.475 8.475 8.593 -0.118 18220 2156 1 5 . 1 1 25 25 SER N N 16 116.214 116.214 118.156 -1.942 18220 2157 1 5 . 1 1 25 25 SER HA H 16 4.280 4.280 4.140 0.140 18220 2158 1 5 . 1 1 25 25 SER CA C 16 60.300 60.300 62.017 -1.717 18220 2159 1 5 . 1 1 25 25 SER CB C 16 62.879 62.879 63.206 -0.327 18220 2160 1 5 . 1 1 25 25 SER H H 16 7.963 7.963 8.267 -0.304 18220 2161 1 5 . 1 1 26 26 ILE N N 17 121.024 121.024 120.560 0.464 18220 2162 1 5 . 1 1 26 26 ILE HA H 17 3.946 3.946 3.668 0.278 18220 2163 1 5 . 1 1 26 26 ILE C C 17 173.935 173.935 178.645 -4.710 18220 2164 1 5 . 1 1 26 26 ILE CA C 17 63.100 63.100 64.189 -1.089 18220 2165 1 5 . 1 1 26 26 ILE CB C 17 38.107 38.107 36.995 1.112 18220 2166 1 5 . 1 1 26 26 ILE H H 17 7.676 7.676 8.604 -0.928 18220 2167 1 5 . 1 1 27 27 PHE N N 18 117.142 117.142 119.639 -2.497 18220 2168 1 5 . 1 1 27 27 PHE HA H 18 4.430 4.430 4.327 0.103 18220 2169 1 5 . 1 1 27 27 PHE C C 18 173.504 173.504 177.580 -4.076 18220 2170 1 5 . 1 1 27 27 PHE CA C 18 58.500 58.500 61.194 -2.694 18220 2171 1 5 . 1 1 27 27 PHE CB C 18 38.774 38.774 38.588 0.186 18220 2172 1 5 . 1 1 27 27 PHE H H 18 7.703 7.703 8.351 -0.648 18220 2173 1 5 . 1 1 28 28 GLY N N 19 107.303 107.303 105.738 1.565 18220 2174 1 5 . 1 1 28 28 GLY C C 19 171.593 171.593 174.312 -2.719 18220 2175 1 5 . 1 1 28 28 GLY CA C 19 45.600 45.600 44.938 0.662 18220 2176 1 5 . 1 1 28 28 GLY H H 19 7.722 7.722 7.701 0.021 18220 2177 1 5 . 1 1 29 29 TYR N N 20 119.862 119.862 119.643 0.219 18220 2178 1 5 . 1 1 29 29 TYR HA H 20 4.392 4.392 4.142 0.250 18220 2179 1 5 . 1 1 29 29 TYR C C 20 173.174 173.174 174.561 -1.387 18220 2180 1 5 . 1 1 29 29 TYR CA C 20 58.500 58.500 58.983 -0.483 18220 2181 1 5 . 1 1 29 29 TYR CB C 20 38.404 38.404 36.481 1.923 18220 2182 1 5 . 1 1 29 29 TYR H H 20 7.880 7.880 7.921 -0.041 18220 2183 1 5 . 1 1 30 30 LYS N N 21 122.335 122.335 119.155 3.180 18220 2184 1 5 . 1 1 30 30 LYS HA H 21 4.390 4.390 4.327 0.063 18220 2185 1 5 . 1 1 30 30 LYS C C 21 173.547 173.547 176.410 -2.863 18220 2186 1 5 . 1 1 30 30 LYS CA C 21 55.800 55.800 56.677 -0.877 18220 2187 1 5 . 1 1 30 30 LYS CB C 21 32.396 32.396 33.608 -1.212 18220 2188 1 5 . 1 1 30 30 LYS H H 21 7.934 7.934 8.260 -0.326 18220 2189 1 5 . 1 1 31 31 ARG N N 22 120.612 120.612 121.088 -0.476 18220 2190 1 5 . 1 1 31 31 ARG C C 22 173.547 173.547 176.534 -2.987 18220 2191 1 5 . 1 1 31 31 ARG CA C 22 55.834 55.834 57.517 -1.683 18220 2192 1 5 . 1 1 31 31 ARG CB C 22 30.101 30.101 30.703 -0.603 18220 2193 1 5 . 1 1 31 31 ARG H H 22 7.905 7.905 8.377 -0.472 18220 2194 1 5 . 1 1 32 32 ARG N N 23 121.748 121.748 119.426 2.322 18220 2195 1 5 . 1 1 32 32 ARG HA H 23 4.310 4.310 4.097 0.213 18220 2196 1 5 . 1 1 32 32 ARG C C 23 173.863 173.863 175.298 -1.435 18220 2197 1 5 . 1 1 32 32 ARG CA C 23 55.800 55.800 56.067 -0.267 18220 2198 1 5 . 1 1 32 32 ARG CB C 23 30.245 30.245 29.398 0.847 18220 2199 1 5 . 1 1 32 32 ARG H H 23 8.175 8.175 8.935 -0.760 18220 2200 1 5 . 1 1 33 33 GLY N N 24 109.528 109.528 109.481 0.047 18220 2201 1 5 . 1 1 33 33 GLY C C 24 171.752 171.752 173.154 -1.402 18220 2202 1 5 . 1 1 33 33 GLY CA C 24 44.900 44.900 44.209 0.691 18220 2203 1 5 . 1 1 33 33 GLY H H 24 8.264 8.264 8.295 -0.031 18220 2204 1 5 . 1 1 34 34 GLY N N 25 108.563 108.563 107.027 1.536 18220 2205 1 5 . 1 1 34 34 GLY C C 25 171.701 171.701 173.596 -1.895 18220 2206 1 5 . 1 1 34 34 GLY CA C 25 44.600 44.600 45.067 -0.467 18220 2207 1 5 . 1 1 34 34 GLY H H 25 8.208 8.208 8.129 0.079 18220 2208 1 5 . 1 1 35 35 VAL N N 26 121.164 121.164 122.140 -0.976 18220 2209 1 5 . 1 1 35 35 VAL HA H 26 4.010 4.010 4.570 -0.560 18220 2210 1 5 . 1 1 35 35 VAL C C 26 175.888 175.888 173.902 1.986 18220 2211 1 5 . 1 1 35 35 VAL CA C 26 63.900 63.900 59.212 4.688 18220 2212 1 5 . 1 1 35 35 VAL CB C 26 30.690 30.690 33.130 -2.441 18220 2213 1 5 . 1 1 35 35 VAL H H 26 8.485 8.485 8.091 0.394 18220 2214 1 5 . 1 1 36 36 PRO C C 27 177.660 177.660 177.506 0.154 18220 2215 1 5 . 1 1 36 36 PRO CA C 27 61.847 61.847 62.121 -0.274 18220 2216 1 5 . 1 1 37 37 SER N N 28 116.023 116.023 115.311 0.712 18220 2217 1 5 . 1 1 37 37 SER HA H 28 4.280 4.280 4.161 0.119 18220 2218 1 5 . 1 1 37 37 SER CA C 28 61.100 61.100 61.249 -0.149 18220 2219 1 5 . 1 1 37 37 SER H H 28 7.948 7.948 8.413 -0.465 18220 2220 1 5 . 1 1 38 38 LEU N N 29 124.029 124.029 122.894 1.135 18220 2221 1 5 . 1 1 38 38 LEU HA H 29 4.170 4.170 3.970 0.200 18220 2222 1 5 . 1 1 38 38 LEU C C 29 176.132 176.132 178.520 -2.388 18220 2223 1 5 . 1 1 38 38 LEU CA C 29 57.500 57.500 58.649 -1.149 18220 2224 1 5 . 1 1 38 38 LEU CB C 29 42.038 42.038 41.968 0.070 18220 2225 1 5 . 1 1 38 38 LEU H H 29 8.201 8.201 8.398 -0.197 18220 2226 1 5 . 1 1 39 39 ILE N N 30 117.098 117.098 117.977 -0.879 18220 2227 1 5 . 1 1 39 39 ILE HA H 30 4.370 4.370 3.823 0.547 18220 2228 1 5 . 1 1 39 39 ILE C C 30 176.478 176.478 178.444 -1.966 18220 2229 1 5 . 1 1 39 39 ILE CA C 30 63.079 63.079 64.428 -1.349 18220 2230 1 5 . 1 1 39 39 ILE CB C 30 36.973 36.973 36.348 0.625 18220 2231 1 5 . 1 1 39 39 ILE H H 30 7.662 7.662 8.129 -0.467 18220 2232 1 5 . 1 1 40 40 ALA N N 31 122.447 122.447 121.512 0.935 18220 2233 1 5 . 1 1 40 40 ALA HA H 31 4.034 4.034 4.093 -0.059 18220 2234 1 5 . 1 1 40 40 ALA C C 31 177.067 177.067 179.898 -2.831 18220 2235 1 5 . 1 1 40 40 ALA CA C 31 55.962 55.962 55.454 0.508 18220 2236 1 5 . 1 1 40 40 ALA CB C 31 17.856 17.856 17.878 -0.022 18220 2237 1 5 . 1 1 40 40 ALA H H 31 8.096 8.096 7.801 0.295 18220 2238 1 5 . 1 1 41 41 GLY N N 32 104.056 104.056 106.763 -2.707 18220 2239 1 5 . 1 1 41 41 GLY C C 32 174.251 174.251 176.326 -2.075 18220 2240 1 5 . 1 1 41 41 GLY CA C 32 46.500 46.500 46.740 -0.240 18220 2241 1 5 . 1 1 41 41 GLY H H 32 8.123 8.123 8.025 0.098 18220 2242 1 5 . 1 1 42 42 LEU N N 33 123.250 123.250 123.548 -0.298 18220 2243 1 5 . 1 1 42 42 LEU HA H 33 3.857 3.857 4.143 -0.286 18220 2244 1 5 . 1 1 42 42 LEU C C 33 176.033 176.033 178.498 -2.465 18220 2245 1 5 . 1 1 42 42 LEU CA C 33 56.668 56.668 57.490 -0.822 18220 2246 1 5 . 1 1 42 42 LEU CB C 33 41.721 41.721 41.910 -0.189 18220 2247 1 5 . 1 1 42 42 LEU H H 33 7.914 7.914 8.089 -0.175 18220 2248 1 5 . 1 1 43 43 PHE N N 34 119.757 119.757 119.316 0.441 18220 2249 1 5 . 1 1 43 43 PHE HA H 34 4.200 4.200 4.171 0.029 18220 2250 1 5 . 1 1 43 43 PHE C C 34 174.374 174.374 177.953 -3.579 18220 2251 1 5 . 1 1 43 43 PHE CA C 34 59.876 59.876 63.164 -3.288 18220 2252 1 5 . 1 1 43 43 PHE CB C 34 38.834 38.834 38.753 0.081 18220 2253 1 5 . 1 1 43 43 PHE H H 34 8.287 8.287 8.704 -0.417 18220 2254 1 5 . 1 1 44 44 VAL N N 35 117.791 117.791 119.265 -1.474 18220 2255 1 5 . 1 1 44 44 VAL HA H 35 3.610 3.610 3.690 -0.080 18220 2256 1 5 . 1 1 44 44 VAL C C 35 176.205 176.205 178.096 -1.891 18220 2257 1 5 . 1 1 44 44 VAL CA C 35 64.559 64.559 66.315 -1.756 18220 2258 1 5 . 1 1 44 44 VAL CB C 35 31.432 31.432 31.332 0.100 18220 2259 1 5 . 1 1 44 44 VAL H H 35 8.235 8.235 8.410 -0.175 18220 2260 1 5 . 1 1 45 45 GLY N N 36 108.551 108.551 106.874 1.677 18220 2261 1 5 . 1 1 45 45 GLY C C 36 173.749 173.749 176.074 -2.325 18220 2262 1 5 . 1 1 45 45 GLY CA C 36 46.083 46.083 47.501 -1.418 18220 2263 1 5 . 1 1 45 45 GLY H H 36 8.178 8.178 8.203 -0.025 18220 2264 1 5 . 1 1 46 46 CYS N N 37 121.173 121.173 120.971 0.202 18220 2265 1 5 . 1 1 46 46 CYS HA H 37 4.180 4.180 4.011 0.169 18220 2266 1 5 . 1 1 46 46 CYS C C 37 173.710 173.710 177.231 -3.521 18220 2267 1 5 . 1 1 46 46 CYS CA C 37 63.000 63.000 63.861 -0.861 18220 2268 1 5 . 1 1 46 46 CYS CB C 37 60.283 60.283 27.301 32.982 18220 2269 1 5 . 1 1 46 46 CYS H H 37 8.253 8.253 8.045 0.208 18220 2270 1 5 . 1 1 47 47 LEU N N 38 120.283 120.283 121.109 -0.826 18220 2271 1 5 . 1 1 47 47 LEU HA H 38 4.060 4.060 3.835 0.225 18220 2272 1 5 . 1 1 47 47 LEU C C 38 176.679 176.679 179.139 -2.460 18220 2273 1 5 . 1 1 47 47 LEU CA C 38 56.027 56.027 58.184 -2.157 18220 2274 1 5 . 1 1 47 47 LEU CB C 38 41.464 41.464 41.040 0.424 18220 2275 1 5 . 1 1 47 47 LEU H H 38 7.965 7.965 8.388 -0.423 18220 2276 1 5 . 1 1 48 48 ALA N N 39 122.249 122.249 120.305 1.944 18220 2277 1 5 . 1 1 48 48 ALA HA H 39 4.142 4.142 3.999 0.143 18220 2278 1 5 . 1 1 48 48 ALA C C 39 177.915 177.915 179.525 -1.610 18220 2279 1 5 . 1 1 48 48 ALA CA C 39 53.717 53.717 55.205 -1.488 18220 2280 1 5 . 1 1 48 48 ALA CB C 39 17.985 17.985 18.150 -0.165 18220 2281 1 5 . 1 1 48 48 ALA H H 39 8.066 8.066 8.354 -0.288 18220 2282 1 5 . 1 1 49 49 GLY N N 40 107.377 107.377 107.719 -0.342 18220 2283 1 5 . 1 1 49 49 GLY C C 40 172.527 172.527 175.803 -3.276 18220 2284 1 5 . 1 1 49 49 GLY CA C 40 45.450 45.450 47.244 -1.794 18220 2285 1 5 . 1 1 49 49 GLY H H 40 8.172 8.172 8.419 -0.247 18220 2286 1 5 . 1 1 50 50 TYR N N 41 122.409 122.409 124.208 -1.799 18220 2287 1 5 . 1 1 50 50 TYR HA H 41 3.799 3.799 3.999 -0.200 18220 2288 1 5 . 1 1 50 50 TYR C C 41 174.208 174.208 178.156 -3.948 18220 2289 1 5 . 1 1 50 50 TYR CA C 41 59.245 59.245 60.942 -1.697 18220 2290 1 5 . 1 1 50 50 TYR CB C 41 37.936 37.936 38.219 -0.283 18220 2291 1 5 . 1 1 50 50 TYR H H 41 7.800 7.800 8.181 -0.381 18220 2292 1 5 . 1 1 51 51 GLY N N 42 106.935 106.935 106.150 0.785 18220 2293 1 5 . 1 1 51 51 GLY C C 42 172.642 172.642 176.536 -3.894 18220 2294 1 5 . 1 1 51 51 GLY CA C 42 46.265 46.265 47.007 -0.742 18220 2295 1 5 . 1 1 51 51 GLY H H 42 8.199 8.199 8.220 -0.021 18220 2296 1 5 . 1 1 52 52 ALA N N 43 123.018 123.018 126.073 -3.055 18220 2297 1 5 . 1 1 52 52 ALA HA H 43 4.150 4.150 4.278 -0.128 18220 2298 1 5 . 1 1 52 52 ALA C C 43 176.398 176.398 179.304 -2.906 18220 2299 1 5 . 1 1 52 52 ALA CA C 43 52.883 52.883 54.248 -1.365 18220 2300 1 5 . 1 1 52 52 ALA CB C 43 18.241 18.241 18.346 -0.105 18220 2301 1 5 . 1 1 52 52 ALA H H 43 7.758 7.758 8.477 -0.719 18220 2302 1 5 . 1 1 53 53 TYR N N 44 119.664 119.664 118.196 1.468 18220 2303 1 5 . 1 1 53 53 TYR HA H 44 4.318 4.318 4.192 0.126 18220 2304 1 5 . 1 1 53 53 TYR C C 44 174.180 174.180 177.900 -3.720 18220 2305 1 5 . 1 1 53 53 TYR CA C 44 58.593 58.593 60.012 -1.419 18220 2306 1 5 . 1 1 53 53 TYR CB C 44 38.192 38.192 38.377 -0.185 18220 2307 1 5 . 1 1 53 53 TYR H H 44 7.920 7.920 8.158 -0.238 18220 2308 1 5 . 1 1 54 54 ARG N N 45 119.516 119.516 117.789 1.727 18220 2309 1 5 . 1 1 54 54 ARG HA H 45 3.930 3.930 3.969 -0.039 18220 2310 1 5 . 1 1 54 54 ARG C C 45 174.423 174.423 176.639 -2.216 18220 2311 1 5 . 1 1 54 54 ARG CA C 45 56.027 56.027 59.143 -3.116 18220 2312 1 5 . 1 1 54 54 ARG CB C 45 30.173 30.173 30.622 -0.449 18220 2313 1 5 . 1 1 54 54 ARG H H 45 7.956 7.956 8.071 -0.115 18220 2314 1 5 . 1 1 55 55 VAL N N 46 116.437 116.437 112.410 4.027 18220 2315 1 5 . 1 1 55 55 VAL HA H 46 4.060 4.060 3.948 0.112 18220 2316 1 5 . 1 1 55 55 VAL C C 46 173.806 173.806 175.055 -1.249 18220 2317 1 5 . 1 1 55 55 VAL CA C 46 62.300 62.300 63.387 -1.087 18220 2318 1 5 . 1 1 55 55 VAL CB C 46 31.521 31.521 32.331 -0.810 18220 2319 1 5 . 1 1 55 55 VAL H H 46 7.489 7.489 7.680 -0.191 18220 2320 1 5 . 1 1 56 56 SER N N 47 117.185 117.185 116.651 0.534 18220 2321 1 5 . 1 1 56 56 SER HA H 47 4.401 4.401 4.248 0.153 18220 2322 1 5 . 1 1 56 56 SER C C 47 172.074 172.074 173.686 -1.612 18220 2323 1 5 . 1 1 56 56 SER CA C 47 58.133 58.133 59.223 -1.090 18220 2324 1 5 . 1 1 56 56 SER CB C 47 63.468 63.468 63.812 -0.344 18220 2325 1 5 . 1 1 56 56 SER H H 47 7.728 7.728 8.216 -0.488 18220 2326 1 5 . 1 1 57 57 ASN N N 48 121.049 121.049 117.166 3.883 18220 2327 1 5 . 1 1 57 57 ASN HA H 48 4.590 4.590 4.458 0.132 18220 2328 1 5 . 1 1 57 57 ASN CA C 48 53.600 53.600 53.600 -0.000 18220 2329 1 5 . 1 1 57 57 ASN CB C 48 38.641 38.641 38.537 0.104 18220 2330 1 5 . 1 1 57 57 ASN H H 48 8.228 8.228 8.638 -0.410 18220 2331 1 5 . 1 1 58 58 ASP N N 49 120.276 120.276 124.086 -3.810 18220 2332 1 5 . 1 1 58 58 ASP HA H 49 4.530 4.530 4.601 -0.071 18220 2333 1 5 . 1 1 58 58 ASP CA C 49 54.202 54.202 55.153 -0.951 18220 2334 1 5 . 1 1 58 58 ASP CB C 49 40.374 40.374 40.518 -0.144 18220 2335 1 5 . 1 1 58 58 ASP H H 49 8.192 8.192 8.781 -0.589 18220 2336 1 5 . 1 1 59 59 LYS N N 50 120.660 120.660 119.448 1.212 18220 2337 1 5 . 1 1 59 59 LYS HA H 50 4.200 4.200 4.414 -0.214 18220 2338 1 5 . 1 1 59 59 LYS C C 50 173.474 173.474 174.083 -0.609 18220 2339 1 5 . 1 1 59 59 LYS CA C 50 56.300 56.300 56.549 -0.249 18220 2340 1 5 . 1 1 59 59 LYS CB C 50 32.034 32.034 35.113 -3.079 18220 2341 1 5 . 1 1 59 59 LYS H H 50 8.003 8.003 8.140 -0.137 18220 2342 1 5 . 1 1 60 60 ARG N N 51 121.278 121.278 121.938 -0.660 18220 2343 1 5 . 1 1 60 60 ARG HA H 51 4.200 4.200 4.479 -0.280 18220 2344 1 5 . 1 1 60 60 ARG C C 51 173.303 173.303 174.115 -0.812 18220 2345 1 5 . 1 1 60 60 ARG CA C 51 56.283 56.283 56.185 0.098 18220 2346 1 5 . 1 1 60 60 ARG CB C 51 30.238 30.238 31.015 -0.777 18220 2347 1 5 . 1 1 60 60 ARG H H 51 8.091 8.091 8.451 -0.360 18220 2348 1 5 . 1 1 61 61 ASP N N 52 121.185 121.185 122.915 -1.730 18220 2349 1 5 . 1 1 61 61 ASP HA H 52 4.615 4.615 4.822 -0.207 18220 2350 1 5 . 1 1 61 61 ASP C C 52 173.777 173.777 176.003 -2.226 18220 2351 1 5 . 1 1 61 61 ASP CA C 52 53.979 53.979 54.656 -0.677 18220 2352 1 5 . 1 1 61 61 ASP CB C 52 40.245 40.245 41.374 -1.129 18220 2353 1 5 . 1 1 61 61 ASP H H 52 8.261 8.261 8.462 -0.201 18220 2354 1 5 . 1 1 62 62 VAL N N 53 121.902 121.902 119.304 2.598 18220 2355 1 5 . 1 1 62 62 VAL HA H 53 3.950 3.950 3.418 0.532 18220 2356 1 5 . 1 1 62 62 VAL C C 53 173.279 173.279 176.846 -3.567 18220 2357 1 5 . 1 1 62 62 VAL CA C 53 63.176 63.176 65.416 -2.240 18220 2358 1 5 . 1 1 62 62 VAL CB C 53 32.099 32.099 30.398 1.701 18220 2359 1 5 . 1 1 62 62 VAL H H 53 7.997 7.997 8.464 -0.467 18220 2360 1 5 . 1 1 63 63 LYS N N 54 123.522 123.522 120.075 3.447 18220 2361 1 5 . 1 1 63 63 LYS HA H 54 4.260 4.260 3.957 0.303 18220 2362 1 5 . 1 1 63 63 LYS C C 54 174.481 174.481 178.395 -3.914 18220 2363 1 5 . 1 1 63 63 LYS CA C 54 56.347 56.347 59.758 -3.411 18220 2364 1 5 . 1 1 63 63 LYS CB C 54 32.099 32.099 32.205 -0.105 18220 2365 1 5 . 1 1 63 63 LYS H H 54 8.054 8.054 8.194 -0.140 18220 2366 1 5 . 1 1 64 64 VAL N N 55 120.647 120.647 119.548 1.099 18220 2367 1 5 . 1 1 64 64 VAL HA H 55 3.947 3.947 3.948 -0.001 18220 2368 1 5 . 1 1 64 64 VAL C C 55 174.955 174.955 178.572 -3.617 18220 2369 1 5 . 1 1 64 64 VAL CA C 55 64.600 64.600 65.768 -1.168 18220 2370 1 5 . 1 1 64 64 VAL CB C 55 31.877 31.877 30.969 0.908 18220 2371 1 5 . 1 1 64 64 VAL H H 55 8.225 8.225 8.230 -0.005 18220 2372 1 5 . 1 1 65 65 SER N N 56 117.785 117.785 114.555 3.230 18220 2373 1 5 . 1 1 65 65 SER HA H 56 4.390 4.390 4.172 0.218 18220 2374 1 5 . 1 1 65 65 SER C C 56 172.300 172.300 177.022 -4.722 18220 2375 1 5 . 1 1 65 65 SER CA C 56 60.000 60.000 61.993 -1.993 18220 2376 1 5 . 1 1 65 65 SER CB C 56 62.879 62.879 62.812 0.067 18220 2377 1 5 . 1 1 65 65 SER H H 56 8.260 8.260 8.010 0.250 18220 2378 1 5 . 1 1 66 66 LEU N N 57 123.318 123.318 122.563 0.755 18220 2379 1 5 . 1 1 66 66 LEU HA H 57 4.090 4.090 4.021 0.069 18220 2380 1 5 . 1 1 66 66 LEU C C 57 175.932 175.932 178.569 -2.637 18220 2381 1 5 . 1 1 66 66 LEU CA C 57 57.502 57.502 58.242 -0.740 18220 2382 1 5 . 1 1 66 66 LEU CB C 57 41.721 41.721 41.860 -0.139 18220 2383 1 5 . 1 1 66 66 LEU H H 57 8.091 8.091 8.310 -0.219 18220 2384 1 5 . 1 1 67 67 PHE N N 58 118.020 118.020 117.976 0.044 18220 2385 1 5 . 1 1 67 67 PHE HA H 58 4.330 4.330 4.552 -0.222 18220 2386 1 5 . 1 1 67 67 PHE C C 58 174.912 174.912 177.942 -3.030 18220 2387 1 5 . 1 1 67 67 PHE CA C 58 60.600 60.600 61.901 -1.301 18220 2388 1 5 . 1 1 67 67 PHE CB C 58 38.552 38.552 38.773 -0.221 18220 2389 1 5 . 1 1 67 67 PHE H H 58 8.066 8.066 8.485 -0.419 18220 2390 1 5 . 1 1 68 68 THR N N 59 115.324 115.324 117.622 -2.298 18220 2391 1 5 . 1 1 68 68 THR HA H 59 4.310 4.310 4.044 0.266 18220 2392 1 5 . 1 1 68 68 THR C C 59 173.380 173.380 176.395 -3.015 18220 2393 1 5 . 1 1 68 68 THR CA C 59 66.313 66.313 67.654 -1.341 18220 2394 1 5 . 1 1 68 68 THR CB C 59 67.700 67.700 68.825 -1.125 18220 2395 1 5 . 1 1 68 68 THR H H 59 8.287 8.287 8.333 -0.046 18220 2396 1 5 . 1 1 69 69 ALA N N 60 123.621 123.621 124.327 -0.706 18220 2397 1 5 . 1 1 69 69 ALA HA H 60 4.280 4.280 4.243 0.037 18220 2398 1 5 . 1 1 69 69 ALA C C 60 176.978 176.978 179.218 -2.240 18220 2399 1 5 . 1 1 69 69 ALA CA C 60 55.100 55.100 55.025 0.075 18220 2400 1 5 . 1 1 69 69 ALA CB C 60 17.728 17.728 18.154 -0.426 18220 2401 1 5 . 1 1 69 69 ALA H H 60 7.983 7.983 8.322 -0.339 18220 2402 1 5 . 1 1 70 70 PHE N N 61 118.520 118.520 120.740 -2.220 18220 2403 1 5 . 1 1 70 70 PHE HA H 61 4.260 4.260 4.145 0.115 18220 2404 1 5 . 1 1 70 70 PHE C C 61 175.369 175.369 177.040 -1.671 18220 2405 1 5 . 1 1 70 70 PHE CA C 61 60.179 60.179 61.016 -0.837 18220 2406 1 5 . 1 1 70 70 PHE CB C 61 38.706 38.706 38.897 -0.191 18220 2407 1 5 . 1 1 70 70 PHE H H 61 8.007 8.007 8.284 -0.277 18220 2408 1 5 . 1 1 71 71 PHE N N 62 122.314 122.314 119.155 3.159 18220 2409 1 5 . 1 1 71 71 PHE HA H 62 4.000 4.000 3.947 0.053 18220 2410 1 5 . 1 1 71 71 PHE C C 62 174.697 174.697 177.469 -2.772 18220 2411 1 5 . 1 1 71 71 PHE CA C 62 60.517 60.517 62.261 -1.744 18220 2412 1 5 . 1 1 71 71 PHE CB C 62 38.770 38.770 39.372 -0.602 18220 2413 1 5 . 1 1 71 71 PHE H H 62 8.546 8.546 8.313 0.233 18220 2414 1 5 . 1 1 72 72 LEU N N 63 119.399 119.399 120.803 -1.404 18220 2415 1 5 . 1 1 72 72 LEU HA H 63 3.870 3.870 3.843 0.027 18220 2416 1 5 . 1 1 72 72 LEU C C 63 175.774 175.774 178.559 -2.785 18220 2417 1 5 . 1 1 72 72 LEU CA C 63 56.925 56.925 58.781 -1.856 18220 2418 1 5 . 1 1 72 72 LEU CB C 63 41.207 41.207 41.907 -0.700 18220 2419 1 5 . 1 1 72 72 LEU H H 63 8.396 8.396 8.320 0.076 18220 2420 1 5 . 1 1 73 73 ALA N N 64 120.221 120.221 120.170 0.051 18220 2421 1 5 . 1 1 73 73 ALA HA H 64 3.960 3.960 3.865 0.095 18220 2422 1 5 . 1 1 73 73 ALA C C 64 177.267 177.267 179.459 -2.192 18220 2423 1 5 . 1 1 73 73 ALA CA C 64 54.600 54.600 55.534 -0.934 18220 2424 1 5 . 1 1 73 73 ALA CB C 64 17.784 17.784 17.989 -0.205 18220 2425 1 5 . 1 1 73 73 ALA H H 64 8.025 8.025 8.602 -0.577 18220 2426 1 5 . 1 1 74 74 THR N N 65 113.648 113.648 113.717 -0.069 18220 2427 1 5 . 1 1 74 74 THR HA H 65 3.980 3.980 3.871 0.109 18220 2428 1 5 . 1 1 74 74 THR CA C 65 66.291 66.291 66.455 -0.164 18220 2429 1 5 . 1 1 74 74 THR CB C 65 67.914 67.914 68.321 -0.407 18220 2430 1 5 . 1 1 74 74 THR H H 65 7.717 7.717 7.857 -0.140 18220 2431 1 5 . 1 1 75 75 ILE N N 66 120.291 120.291 118.857 1.434 18220 2432 1 5 . 1 1 75 75 ILE HA H 66 3.740 3.740 3.789 -0.049 18220 2433 1 5 . 1 1 75 75 ILE C C 66 174.951 174.951 176.895 -1.944 18220 2434 1 5 . 1 1 75 75 ILE CA C 66 64.880 64.880 62.056 2.824 18220 2435 1 5 . 1 1 75 75 ILE CB C 66 37.166 37.166 37.435 -0.269 18220 2436 1 5 . 1 1 75 75 ILE H H 66 7.738 7.738 7.730 0.008 18220 2437 1 5 . 1 1 76 76 MET N N 67 117.618 117.618 117.569 0.049 18220 2438 1 5 . 1 1 76 76 MET HA H 67 4.220 4.220 4.324 -0.104 18220 2439 1 5 . 1 1 76 76 MET C C 67 175.142 175.142 177.044 -1.902 18220 2440 1 5 . 1 1 76 76 MET CA C 67 56.723 56.723 57.872 -1.149 18220 2441 1 5 . 1 1 76 76 MET CB C 67 31.951 31.951 33.917 -1.966 18220 2442 1 5 . 1 1 76 76 MET H H 67 7.823 7.823 8.067 -0.244 18220 2443 1 5 . 1 1 77 77 GLY N N 68 107.110 107.110 104.442 2.668 18220 2444 1 5 . 1 1 77 77 GLY C C 68 172.260 172.260 174.264 -2.004 18220 2445 1 5 . 1 1 77 77 GLY CA C 68 45.800 45.800 45.825 -0.025 18220 2446 1 5 . 1 1 77 77 GLY H H 68 7.937 7.937 8.460 -0.523 18220 2447 1 5 . 1 1 78 78 VAL N N 69 120.431 120.431 119.741 0.690 18220 2448 1 5 . 1 1 78 78 VAL HA H 69 4.220 4.220 4.398 -0.178 18220 2449 1 5 . 1 1 78 78 VAL CA C 69 63.900 63.900 62.709 1.191 18220 2450 1 5 . 1 1 78 78 VAL CB C 69 31.506 31.506 33.108 -1.602 18220 2451 1 5 . 1 1 78 78 VAL H H 69 7.697 7.697 8.224 -0.527 18220 2452 1 5 . 1 1 79 79 ARG N N 70 121.420 121.420 118.481 2.939 18220 2453 1 5 . 1 1 79 79 ARG HA H 70 3.810 3.810 4.695 -0.885 18220 2454 1 5 . 1 1 79 79 ARG CA C 70 56.400 56.400 54.971 1.429 18220 2455 1 5 . 1 1 79 79 ARG CB C 70 30.097 30.097 31.485 -1.388 18220 2456 1 5 . 1 1 79 79 ARG H H 70 7.889 7.889 7.545 0.344 18220 2457 1 5 . 1 1 80 80 PHE N N 71 119.949 119.949 121.832 -1.883 18220 2458 1 5 . 1 1 80 80 PHE HA H 71 4.510 4.510 4.638 -0.128 18220 2459 1 5 . 1 1 80 80 PHE CA C 71 58.600 58.600 57.595 1.005 18220 2460 1 5 . 1 1 80 80 PHE CB C 71 39.145 39.145 39.763 -0.618 18220 2461 1 5 . 1 1 80 80 PHE H H 71 8.101 8.101 8.749 -0.648 18220 2462 1 5 . 1 1 81 81 LYS N N 72 122.193 122.193 121.155 1.038 18220 2463 1 5 . 1 1 81 81 LYS CA C 72 56.800 56.800 54.550 2.250 18220 2464 1 5 . 1 1 81 81 LYS CB C 72 32.322 32.322 35.445 -3.123 18220 2465 1 5 . 1 1 81 81 LYS H H 72 8.090 8.090 8.177 -0.087 18220 2466 1 5 . 1 1 82 82 ARG N N 73 119.650 119.650 121.255 -1.605 18220 2467 1 5 . 1 1 82 82 ARG CA C 73 56.089 56.089 56.667 -0.578 18220 2468 1 5 . 1 1 82 82 ARG CB C 73 30.171 30.171 29.072 1.099 18220 2469 1 5 . 1 1 82 82 ARG H H 73 8.052 8.052 8.477 -0.425 18220 2470 1 5 . 1 1 83 83 SER N N 74 115.734 115.734 116.329 -0.595 18220 2471 1 5 . 1 1 83 83 SER CA C 74 58.355 58.355 58.121 0.234 18220 2472 1 5 . 1 1 83 83 SER CB C 74 63.404 63.404 64.776 -1.372 18220 2473 1 5 . 1 1 83 83 SER H H 74 7.912 7.912 8.197 -0.285 18220 2474 1 5 . 1 1 84 84 LYS N N 75 122.370 122.370 120.716 1.654 18220 2475 1 5 . 1 1 84 84 LYS CA C 75 56.135 56.135 55.998 0.137 18220 2476 1 5 . 1 1 84 84 LYS CB C 75 32.175 32.175 32.424 -0.249 18220 2477 1 5 . 1 1 84 84 LYS H H 75 8.067 8.067 8.507 -0.440 18220 2478 1 5 . 1 1 86 86 ILE N N 77 119.592 119.592 119.946 -0.354 18220 2479 1 5 . 1 1 86 86 ILE HA H 77 3.810 3.810 4.397 -0.587 18220 2480 1 5 . 1 1 86 86 ILE CA C 77 64.900 64.900 60.757 4.144 18220 2481 1 5 . 1 1 86 86 ILE CB C 77 39.145 39.145 37.649 1.496 18220 2482 1 5 . 1 1 86 86 ILE H H 77 7.837 7.837 7.895 -0.058 18220 2483 1 5 . 1 1 87 87 MET N N 78 121.645 121.645 121.227 0.418 18220 2484 1 5 . 1 1 87 87 MET CA C 78 52.982 52.982 56.083 -3.101 18220 2485 1 5 . 1 1 87 87 MET CB C 78 32.173 32.173 31.902 0.271 18220 2486 1 5 . 1 1 87 87 MET H H 78 7.950 7.950 8.458 -0.508 18220 2487 1 5 . 1 1 88 88 PRO HA H 79 4.140 4.140 4.411 -0.271 18220 2488 1 5 . 1 1 88 88 PRO C C 79 173.921 173.921 177.748 -3.827 18220 2489 1 5 . 1 1 88 88 PRO CA C 79 62.800 62.800 64.934 -2.134 18220 2490 1 5 . 1 1 88 88 PRO CB C 79 31.136 31.136 32.129 -0.993 18220 2491 1 5 . 1 1 89 89 ALA N N 80 124.431 124.431 121.902 2.529 18220 2492 1 5 . 1 1 89 89 ALA HA H 80 4.400 4.400 3.886 0.514 18220 2493 1 5 . 1 1 89 89 ALA C C 80 176.234 176.234 179.735 -3.501 18220 2494 1 5 . 1 1 89 89 ALA CA C 80 53.300 53.300 55.434 -2.135 18220 2495 1 5 . 1 1 89 89 ALA CB C 80 18.498 18.498 17.966 0.532 18220 2496 1 5 . 1 1 89 89 ALA H H 80 8.320 8.320 8.535 -0.215 18220 2497 1 5 . 1 1 90 90 GLY N N 81 106.834 106.834 106.640 0.194 18220 2498 1 5 . 1 1 90 90 GLY C C 81 172.398 172.398 176.296 -3.898 18220 2499 1 5 . 1 1 90 90 GLY CA C 81 45.600 45.600 47.099 -1.499 18220 2500 1 5 . 1 1 90 90 GLY H H 81 8.458 8.458 8.491 -0.033 18220 2501 1 5 . 1 1 91 91 LEU N N 82 121.043 121.043 121.928 -0.885 18220 2502 1 5 . 1 1 91 91 LEU HA H 82 4.200 4.200 3.847 0.353 18220 2503 1 5 . 1 1 91 91 LEU C C 82 174.783 174.783 178.968 -4.185 18220 2504 1 5 . 1 1 91 91 LEU CA C 82 56.300 56.300 57.698 -1.398 18220 2505 1 5 . 1 1 91 91 LEU CB C 82 42.106 42.106 41.513 0.593 18220 2506 1 5 . 1 1 91 91 LEU H H 82 7.687 7.687 7.366 0.321 18220 2507 1 5 . 1 1 92 92 VAL N N 83 114.737 114.737 118.807 -4.070 18220 2508 1 5 . 1 1 92 92 VAL HA H 83 3.980 3.980 3.459 0.521 18220 2509 1 5 . 1 1 92 92 VAL C C 83 173.634 173.634 177.650 -4.016 18220 2510 1 5 . 1 1 92 92 VAL CA C 83 62.400 62.400 65.778 -3.378 18220 2511 1 5 . 1 1 92 92 VAL CB C 83 31.585 31.585 30.494 1.091 18220 2512 1 5 . 1 1 92 92 VAL H H 83 7.602 7.602 7.663 -0.061 18220 2513 1 5 . 1 1 93 93 ALA N N 84 124.320 124.320 121.515 2.805 18220 2514 1 5 . 1 1 93 93 ALA HA H 84 4.150 4.150 4.104 0.046 18220 2515 1 5 . 1 1 93 93 ALA C C 84 175.746 175.746 179.875 -4.129 18220 2516 1 5 . 1 1 93 93 ALA CA C 84 53.300 53.300 55.187 -1.887 18220 2517 1 5 . 1 1 93 93 ALA CB C 84 18.241 18.241 17.933 0.308 18220 2518 1 5 . 1 1 93 93 ALA H H 84 7.891 7.891 8.111 -0.220 18220 2519 1 5 . 1 1 94 94 GLY N N 85 106.807 106.807 108.229 -1.422 18220 2520 1 5 . 1 1 94 94 GLY C C 85 171.752 171.752 176.205 -4.453 18220 2521 1 5 . 1 1 94 94 GLY CA C 85 45.249 45.249 46.980 -1.731 18220 2522 1 5 . 1 1 94 94 GLY H H 85 8.204 8.204 8.070 0.134 18220 2523 1 5 . 1 1 95 95 LEU N N 86 121.266 121.266 122.321 -1.055 18220 2524 1 5 . 1 1 95 95 LEU HA H 86 4.380 4.380 4.002 0.378 18220 2525 1 5 . 1 1 95 95 LEU C C 86 173.702 173.702 179.063 -5.361 18220 2526 1 5 . 1 1 95 95 LEU CA C 86 55.000 55.000 57.928 -2.928 18220 2527 1 5 . 1 1 95 95 LEU CB C 86 42.298 42.298 40.875 1.423 18220 2528 1 5 . 1 1 95 95 LEU H H 86 7.718 7.718 8.240 -0.522 18220 2529 1 5 . 1 1 96 96 SER N N 87 115.658 115.658 115.078 0.580 18220 2530 1 5 . 1 1 96 96 SER HA H 87 4.370 4.370 4.091 0.279 18220 2531 1 5 . 1 1 96 96 SER C C 87 172.479 172.479 176.814 -4.335 18220 2532 1 5 . 1 1 96 96 SER CA C 87 57.200 57.200 61.842 -4.642 18220 2533 1 5 . 1 1 96 96 SER CB C 87 64.174 64.174 63.039 1.135 18220 2534 1 5 . 1 1 96 96 SER H H 87 7.659 7.659 8.116 -0.457 18220 2535 1 5 . 1 1 97 97 LEU N N 88 123.720 123.720 121.963 1.757 18220 2536 1 5 . 1 1 97 97 LEU HA H 88 4.600 4.600 3.866 0.734 18220 2537 1 5 . 1 1 97 97 LEU C C 88 175.932 175.932 178.757 -2.825 18220 2538 1 5 . 1 1 97 97 LEU CA C 88 57.600 57.600 57.885 -0.285 18220 2539 1 5 . 1 1 97 97 LEU CB C 88 41.400 41.400 41.983 -0.583 18220 2540 1 5 . 1 1 97 97 LEU H H 88 8.733 8.733 8.077 0.656 18220 2541 1 5 . 1 1 98 98 MET N N 89 116.684 116.684 118.452 -1.768 18220 2542 1 5 . 1 1 98 98 MET HA H 89 4.280 4.280 3.944 0.336 18220 2543 1 5 . 1 1 98 98 MET C C 89 175.789 175.789 178.416 -2.627 18220 2544 1 5 . 1 1 98 98 MET CA C 89 56.915 56.915 59.040 -2.125 18220 2545 1 5 . 1 1 98 98 MET CB C 89 31.007 31.007 32.479 -1.472 18220 2546 1 5 . 1 1 98 98 MET H H 89 8.342 8.342 8.001 0.341 18220 2547 1 5 . 1 1 99 99 MET N N 90 119.182 119.182 119.086 0.096 18220 2548 1 5 . 1 1 99 99 MET HA H 90 4.110 4.110 3.940 0.170 18220 2549 1 5 . 1 1 99 99 MET C C 90 175.588 175.588 178.561 -2.973 18220 2550 1 5 . 1 1 99 99 MET CA C 90 57.951 57.951 59.711 -1.760 18220 2551 1 5 . 1 1 99 99 MET CB C 90 32.226 32.226 32.415 -0.189 18220 2552 1 5 . 1 1 99 99 MET H H 90 7.720 7.720 7.958 -0.238 18220 2553 1 5 . 1 1 100 100 ILE N N 91 119.077 119.077 119.637 -0.560 18220 2554 1 5 . 1 1 100 100 ILE HA H 91 4.110 4.110 3.596 0.514 18220 2555 1 5 . 1 1 100 100 ILE C C 91 174.634 174.634 178.127 -3.493 18220 2556 1 5 . 1 1 100 100 ILE CA C 91 64.100 64.100 65.218 -1.118 18220 2557 1 5 . 1 1 100 100 ILE CB C 91 37.143 37.143 37.595 -0.452 18220 2558 1 5 . 1 1 100 100 ILE H H 91 7.662 7.662 8.084 -0.422 18220 2559 1 5 . 1 1 101 101 LEU N N 92 119.646 119.646 119.487 0.159 18220 2560 1 5 . 1 1 101 101 LEU HA H 92 4.530 4.530 3.947 0.583 18220 2561 1 5 . 1 1 101 101 LEU C C 92 175.430 175.430 179.083 -3.653 18220 2562 1 5 . 1 1 101 101 LEU CA C 92 57.800 57.800 58.098 -0.298 18220 2563 1 5 . 1 1 101 101 LEU CB C 92 40.758 40.758 41.503 -0.745 18220 2564 1 5 . 1 1 101 101 LEU H H 92 8.142 8.142 8.284 -0.142 18220 2565 1 5 . 1 1 102 102 ARG N N 93 116.394 116.394 118.902 -2.508 18220 2566 1 5 . 1 1 102 102 ARG HA H 93 4.140 4.140 4.120 0.020 18220 2567 1 5 . 1 1 102 102 ARG C C 93 175.961 175.961 178.617 -2.656 18220 2568 1 5 . 1 1 102 102 ARG CA C 93 59.100 59.100 58.465 0.635 18220 2569 1 5 . 1 1 102 102 ARG CB C 93 29.404 29.404 29.583 -0.179 18220 2570 1 5 . 1 1 102 102 ARG H H 93 7.893 7.893 8.115 -0.222 18220 2571 1 5 . 1 1 103 103 LEU N N 94 119.114 119.114 120.457 -1.343 18220 2572 1 5 . 1 1 103 103 LEU HA H 94 4.110 4.110 4.008 0.102 18220 2573 1 5 . 1 1 103 103 LEU C C 94 175.889 175.889 178.808 -2.919 18220 2574 1 5 . 1 1 103 103 LEU CA C 94 57.300 57.300 58.270 -0.970 18220 2575 1 5 . 1 1 103 103 LEU CB C 94 41.296 41.296 42.012 -0.716 18220 2576 1 5 . 1 1 103 103 LEU H H 94 7.622 7.622 7.856 -0.234 18220 2577 1 5 . 1 1 104 104 VAL N N 95 117.704 117.704 117.969 -0.265 18220 2578 1 5 . 1 1 104 104 VAL HA H 95 3.530 3.530 3.776 -0.246 18220 2579 1 5 . 1 1 104 104 VAL C C 95 175.042 175.042 177.825 -2.783 18220 2580 1 5 . 1 1 104 104 VAL CA C 95 66.419 66.419 66.015 0.404 18220 2581 1 5 . 1 1 104 104 VAL CB C 95 31.357 31.357 31.634 -0.277 18220 2582 1 5 . 1 1 104 104 VAL H H 95 8.026 8.026 7.411 0.615 18220 2583 1 5 . 1 1 105 105 LEU N N 96 117.185 117.185 121.078 -3.893 18220 2584 1 5 . 1 1 105 105 LEU HA H 96 3.980 3.980 3.952 0.028 18220 2585 1 5 . 1 1 105 105 LEU C C 96 176.579 176.579 178.635 -2.056 18220 2586 1 5 . 1 1 105 105 LEU CA C 96 56.800 56.800 58.081 -1.281 18220 2587 1 5 . 1 1 105 105 LEU CB C 96 40.951 40.951 41.151 -0.200 18220 2588 1 5 . 1 1 105 105 LEU H H 96 7.893 7.893 7.686 0.207 18220 2589 1 5 . 1 1 106 106 LEU N N 97 118.471 118.471 119.611 -1.140 18220 2590 1 5 . 1 1 106 106 LEU HA H 97 4.180 4.180 3.907 0.273 18220 2591 1 5 . 1 1 106 106 LEU C C 97 175.802 175.802 178.708 -2.906 18220 2592 1 5 . 1 1 106 106 LEU CA C 97 56.300 56.300 58.163 -1.863 18220 2593 1 5 . 1 1 106 106 LEU CB C 97 41.592 41.592 41.925 -0.334 18220 2594 1 5 . 1 1 106 106 LEU H H 97 7.545 7.545 8.008 -0.463 18220 2595 1 5 . 1 1 107 107 LEU N N 98 118.162 118.162 119.192 -1.030 18220 2596 1 5 . 1 1 107 107 LEU HA H 98 4.230 4.230 4.053 0.177 18220 2597 1 5 . 1 1 107 107 LEU C C 98 174.174 174.174 178.054 -3.880 18220 2598 1 5 . 1 1 107 107 LEU CA C 98 56.283 56.283 56.688 -0.405 18220 2599 1 5 . 1 1 107 107 LEU CB C 98 42.362 42.362 41.847 0.515 18220 2600 1 5 . 1 1 107 107 LEU H H 98 7.688 7.688 7.652 0.036 18220 2601 1 6 . 1 1 11 11 ASP N N 2 120.536 120.536 122.995 -2.459 18220 2602 1 6 . 1 1 11 11 ASP CA C 2 55.918 55.918 54.356 1.562 18220 2603 1 6 . 1 1 11 11 ASP CB C 2 37.959 37.959 41.215 -3.256 18220 2604 1 6 . 1 1 11 11 ASP H H 2 7.863 7.863 8.376 -0.513 18220 2605 1 6 . 1 1 12 12 LEU N N 3 121.414 121.414 121.520 -0.106 18220 2606 1 6 . 1 1 12 12 LEU C C 3 176.162 176.162 178.129 -1.967 18220 2607 1 6 . 1 1 12 12 LEU CA C 3 57.600 57.600 55.233 2.367 18220 2608 1 6 . 1 1 12 12 LEU CB C 3 41.657 41.657 42.717 -1.060 18220 2609 1 6 . 1 1 12 12 LEU H H 3 8.285 8.285 7.588 0.697 18220 2610 1 6 . 1 1 13 13 ILE N N 4 118.854 118.854 120.388 -1.534 18220 2611 1 6 . 1 1 13 13 ILE HA H 4 3.740 3.740 4.304 -0.564 18220 2612 1 6 . 1 1 13 13 ILE C C 4 175.228 175.228 175.765 -0.537 18220 2613 1 6 . 1 1 13 13 ILE CA C 4 64.500 64.500 61.661 2.839 18220 2614 1 6 . 1 1 13 13 ILE CB C 4 37.102 37.102 38.640 -1.538 18220 2615 1 6 . 1 1 13 13 ILE H H 4 8.031 8.031 8.036 -0.005 18220 2616 1 6 . 1 1 14 14 GLY N N 5 107.478 107.478 109.409 -1.931 18220 2617 1 6 . 1 1 14 14 GLY C C 5 174.424 174.424 175.440 -1.016 18220 2618 1 6 . 1 1 14 14 GLY CA C 5 47.059 47.059 45.676 1.383 18220 2619 1 6 . 1 1 14 14 GLY H H 5 8.148 8.148 8.140 0.008 18220 2620 1 6 . 1 1 15 15 PHE N N 6 122.774 122.774 122.431 0.343 18220 2621 1 6 . 1 1 15 15 PHE HA H 6 4.480 4.480 4.110 0.370 18220 2622 1 6 . 1 1 15 15 PHE C C 6 175.113 175.113 177.081 -1.968 18220 2623 1 6 . 1 1 15 15 PHE CA C 6 60.017 60.017 60.392 -0.375 18220 2624 1 6 . 1 1 15 15 PHE CB C 6 38.774 38.774 39.066 -0.292 18220 2625 1 6 . 1 1 15 15 PHE H H 6 8.194 8.194 8.618 -0.424 18220 2626 1 6 . 1 1 16 16 GLY N N 7 107.938 107.938 106.055 1.883 18220 2627 1 6 . 1 1 16 16 GLY C C 7 171.838 171.838 175.861 -4.023 18220 2628 1 6 . 1 1 16 16 GLY CA C 7 47.100 47.100 47.370 -0.271 18220 2629 1 6 . 1 1 16 16 GLY H H 7 8.697 8.697 8.676 0.021 18220 2630 1 6 . 1 1 17 17 TYR N N 8 121.785 121.785 123.621 -1.836 18220 2631 1 6 . 1 1 17 17 TYR HA H 8 4.150 4.150 3.964 0.186 18220 2632 1 6 . 1 1 17 17 TYR C C 8 174.180 174.180 177.244 -3.064 18220 2633 1 6 . 1 1 17 17 TYR CA C 8 61.300 61.300 61.251 0.049 18220 2634 1 6 . 1 1 17 17 TYR CB C 8 37.959 37.959 38.182 -0.223 18220 2635 1 6 . 1 1 17 17 TYR H H 8 8.710 8.710 8.121 0.589 18220 2636 1 6 . 1 1 18 18 ALA N N 9 120.233 120.233 120.814 -0.581 18220 2637 1 6 . 1 1 18 18 ALA HA H 9 3.950 3.950 3.738 0.212 18220 2638 1 6 . 1 1 18 18 ALA C C 9 178.059 178.059 179.131 -1.072 18220 2639 1 6 . 1 1 18 18 ALA CA C 9 54.872 54.872 54.874 -0.002 18220 2640 1 6 . 1 1 18 18 ALA CB C 9 17.562 17.562 17.446 0.116 18220 2641 1 6 . 1 1 18 18 ALA H H 9 7.843 7.843 8.114 -0.271 18220 2642 1 6 . 1 1 19 19 ALA N N 10 121.797 121.797 120.804 0.993 18220 2643 1 6 . 1 1 19 19 ALA HA H 10 3.950 3.950 4.065 -0.115 18220 2644 1 6 . 1 1 19 19 ALA C C 10 176.191 176.191 179.673 -3.482 18220 2645 1 6 . 1 1 19 19 ALA CA C 10 54.600 54.600 54.620 -0.020 18220 2646 1 6 . 1 1 19 19 ALA CB C 10 17.562 17.562 18.202 -0.640 18220 2647 1 6 . 1 1 19 19 ALA H H 10 8.212 8.212 7.781 0.431 18220 2648 1 6 . 1 1 20 20 LEU N N 11 119.442 119.442 120.237 -0.795 18220 2649 1 6 . 1 1 20 20 LEU HA H 11 3.937 3.937 3.891 0.046 18220 2650 1 6 . 1 1 20 20 LEU C C 11 176.694 176.694 178.613 -1.919 18220 2651 1 6 . 1 1 20 20 LEU CA C 11 57.800 57.800 58.114 -0.314 18220 2652 1 6 . 1 1 20 20 LEU CB C 11 41.222 41.222 41.877 -0.655 18220 2653 1 6 . 1 1 20 20 LEU H H 11 8.065 8.065 7.771 0.294 18220 2654 1 6 . 1 1 21 21 VAL N N 12 118.323 118.323 118.853 -0.530 18220 2655 1 6 . 1 1 21 21 VAL HA H 12 3.640 3.640 3.397 0.243 18220 2656 1 6 . 1 1 21 21 VAL C C 12 176.536 176.536 177.791 -1.255 18220 2657 1 6 . 1 1 21 21 VAL CA C 12 65.400 65.400 66.870 -1.470 18220 2658 1 6 . 1 1 21 21 VAL CB C 12 31.135 31.135 30.820 0.315 18220 2659 1 6 . 1 1 21 21 VAL H H 12 8.051 8.051 8.330 -0.279 18220 2660 1 6 . 1 1 22 22 THR N N 13 118.298 118.298 114.917 3.381 18220 2661 1 6 . 1 1 22 22 THR HA H 13 4.660 4.660 3.858 0.802 18220 2662 1 6 . 1 1 22 22 THR C C 13 173.734 173.734 176.641 -2.907 18220 2663 1 6 . 1 1 22 22 THR CA C 13 66.300 66.300 66.713 -0.413 18220 2664 1 6 . 1 1 22 22 THR CB C 13 67.775 67.775 68.765 -0.990 18220 2665 1 6 . 1 1 22 22 THR H H 13 7.944 7.944 7.880 0.064 18220 2666 1 6 . 1 1 23 23 PHE N N 14 121.328 121.328 120.838 0.490 18220 2667 1 6 . 1 1 23 23 PHE HA H 14 4.340 4.340 4.019 0.321 18220 2668 1 6 . 1 1 23 23 PHE C C 14 174.783 174.783 178.007 -3.224 18220 2669 1 6 . 1 1 23 23 PHE CA C 14 60.500 60.500 61.642 -1.141 18220 2670 1 6 . 1 1 23 23 PHE CB C 14 38.626 38.626 38.498 0.128 18220 2671 1 6 . 1 1 23 23 PHE H H 14 8.567 8.567 8.267 0.300 18220 2672 1 6 . 1 1 24 24 GLY N N 15 106.871 106.871 105.887 0.984 18220 2673 1 6 . 1 1 24 24 GLY C C 15 172.858 172.858 176.343 -3.485 18220 2674 1 6 . 1 1 24 24 GLY CA C 15 46.900 46.900 47.123 -0.223 18220 2675 1 6 . 1 1 24 24 GLY H H 15 8.475 8.475 8.374 0.101 18220 2676 1 6 . 1 1 25 25 SER N N 16 116.214 116.214 118.641 -2.427 18220 2677 1 6 . 1 1 25 25 SER HA H 16 4.280 4.280 3.998 0.282 18220 2678 1 6 . 1 1 25 25 SER CA C 16 60.300 60.300 61.658 -1.358 18220 2679 1 6 . 1 1 25 25 SER CB C 16 62.879 62.879 63.203 -0.324 18220 2680 1 6 . 1 1 25 25 SER H H 16 7.963 7.963 8.174 -0.211 18220 2681 1 6 . 1 1 26 26 ILE N N 17 121.024 121.024 121.363 -0.339 18220 2682 1 6 . 1 1 26 26 ILE HA H 17 3.946 3.946 3.615 0.331 18220 2683 1 6 . 1 1 26 26 ILE C C 17 173.935 173.935 178.036 -4.101 18220 2684 1 6 . 1 1 26 26 ILE CA C 17 63.100 63.100 64.905 -1.805 18220 2685 1 6 . 1 1 26 26 ILE CB C 17 38.107 38.107 38.008 0.099 18220 2686 1 6 . 1 1 26 26 ILE H H 17 7.676 7.676 8.283 -0.607 18220 2687 1 6 . 1 1 27 27 PHE N N 18 117.142 117.142 119.771 -2.629 18220 2688 1 6 . 1 1 27 27 PHE HA H 18 4.430 4.430 4.226 0.204 18220 2689 1 6 . 1 1 27 27 PHE C C 18 173.504 173.504 177.307 -3.803 18220 2690 1 6 . 1 1 27 27 PHE CA C 18 58.500 58.500 60.874 -2.374 18220 2691 1 6 . 1 1 27 27 PHE CB C 18 38.774 38.774 38.976 -0.202 18220 2692 1 6 . 1 1 27 27 PHE H H 18 7.703 7.703 8.282 -0.579 18220 2693 1 6 . 1 1 28 28 GLY N N 19 107.303 107.303 104.059 3.244 18220 2694 1 6 . 1 1 28 28 GLY C C 19 171.593 171.593 173.898 -2.305 18220 2695 1 6 . 1 1 28 28 GLY CA C 19 45.600 45.600 45.003 0.597 18220 2696 1 6 . 1 1 28 28 GLY H H 19 7.722 7.722 7.753 -0.031 18220 2697 1 6 . 1 1 29 29 TYR N N 20 119.862 119.862 119.739 0.123 18220 2698 1 6 . 1 1 29 29 TYR HA H 20 4.392 4.392 4.184 0.208 18220 2699 1 6 . 1 1 29 29 TYR C C 20 173.174 173.174 174.471 -1.297 18220 2700 1 6 . 1 1 29 29 TYR CA C 20 58.500 58.500 58.348 0.152 18220 2701 1 6 . 1 1 29 29 TYR CB C 20 38.404 38.404 37.607 0.797 18220 2702 1 6 . 1 1 29 29 TYR H H 20 7.880 7.880 7.648 0.232 18220 2703 1 6 . 1 1 30 30 LYS N N 21 122.335 122.335 126.902 -4.567 18220 2704 1 6 . 1 1 30 30 LYS HA H 21 4.390 4.390 4.505 -0.115 18220 2705 1 6 . 1 1 30 30 LYS C C 21 173.547 173.547 175.574 -2.027 18220 2706 1 6 . 1 1 30 30 LYS CA C 21 55.800 55.800 55.981 -0.181 18220 2707 1 6 . 1 1 30 30 LYS CB C 21 32.396 32.396 33.207 -0.811 18220 2708 1 6 . 1 1 30 30 LYS H H 21 7.934 7.934 8.349 -0.415 18220 2709 1 6 . 1 1 31 31 ARG N N 22 120.612 120.612 122.268 -1.656 18220 2710 1 6 . 1 1 31 31 ARG C C 22 173.547 173.547 175.284 -1.737 18220 2711 1 6 . 1 1 31 31 ARG CA C 22 55.834 55.834 56.459 -0.625 18220 2712 1 6 . 1 1 31 31 ARG CB C 22 30.101 30.101 30.067 0.034 18220 2713 1 6 . 1 1 31 31 ARG H H 22 7.905 7.905 8.563 -0.658 18220 2714 1 6 . 1 1 32 32 ARG N N 23 121.748 121.748 122.884 -1.136 18220 2715 1 6 . 1 1 32 32 ARG HA H 23 4.310 4.310 4.199 0.111 18220 2716 1 6 . 1 1 32 32 ARG C C 23 173.863 173.863 176.744 -2.881 18220 2717 1 6 . 1 1 32 32 ARG CA C 23 55.800 55.800 57.221 -1.421 18220 2718 1 6 . 1 1 32 32 ARG CB C 23 30.245 30.245 30.342 -0.097 18220 2719 1 6 . 1 1 32 32 ARG H H 23 8.175 8.175 8.403 -0.228 18220 2720 1 6 . 1 1 33 33 GLY N N 24 109.528 109.528 106.672 2.856 18220 2721 1 6 . 1 1 33 33 GLY C C 24 171.752 171.752 173.405 -1.653 18220 2722 1 6 . 1 1 33 33 GLY CA C 24 44.900 44.900 44.994 -0.094 18220 2723 1 6 . 1 1 33 33 GLY H H 24 8.264 8.264 8.314 -0.050 18220 2724 1 6 . 1 1 34 34 GLY N N 25 108.563 108.563 107.627 0.936 18220 2725 1 6 . 1 1 34 34 GLY C C 25 171.701 171.701 173.123 -1.422 18220 2726 1 6 . 1 1 34 34 GLY CA C 25 44.600 44.600 45.316 -0.716 18220 2727 1 6 . 1 1 34 34 GLY H H 25 8.208 8.208 7.843 0.365 18220 2728 1 6 . 1 1 35 35 VAL N N 26 121.164 121.164 119.481 1.683 18220 2729 1 6 . 1 1 35 35 VAL HA H 26 4.010 4.010 4.595 -0.585 18220 2730 1 6 . 1 1 35 35 VAL C C 26 175.888 175.888 175.034 0.854 18220 2731 1 6 . 1 1 35 35 VAL CA C 26 63.900 63.900 59.584 4.316 18220 2732 1 6 . 1 1 35 35 VAL CB C 26 30.690 30.690 31.872 -1.182 18220 2733 1 6 . 1 1 35 35 VAL H H 26 8.485 8.485 8.088 0.397 18220 2734 1 6 . 1 1 36 36 PRO C C 27 177.660 177.660 176.715 0.945 18220 2735 1 6 . 1 1 36 36 PRO CA C 27 61.847 61.847 64.288 -2.442 18220 2736 1 6 . 1 1 37 37 SER N N 28 116.023 116.023 109.888 6.135 18220 2737 1 6 . 1 1 37 37 SER HA H 28 4.280 4.280 4.369 -0.089 18220 2738 1 6 . 1 1 37 37 SER CA C 28 61.100 61.100 58.283 2.817 18220 2739 1 6 . 1 1 37 37 SER H H 28 7.948 7.948 7.812 0.136 18220 2740 1 6 . 1 1 38 38 LEU N N 29 124.029 124.029 123.943 0.086 18220 2741 1 6 . 1 1 38 38 LEU HA H 29 4.170 4.170 3.938 0.232 18220 2742 1 6 . 1 1 38 38 LEU C C 29 176.132 176.132 178.349 -2.217 18220 2743 1 6 . 1 1 38 38 LEU CA C 29 57.500 57.500 58.412 -0.912 18220 2744 1 6 . 1 1 38 38 LEU CB C 29 42.038 42.038 41.847 0.191 18220 2745 1 6 . 1 1 38 38 LEU H H 29 8.201 8.201 8.383 -0.182 18220 2746 1 6 . 1 1 39 39 ILE N N 30 117.098 117.098 118.038 -0.940 18220 2747 1 6 . 1 1 39 39 ILE HA H 30 4.370 4.370 3.677 0.693 18220 2748 1 6 . 1 1 39 39 ILE C C 30 176.478 176.478 177.467 -0.989 18220 2749 1 6 . 1 1 39 39 ILE CA C 30 63.079 63.079 65.169 -2.090 18220 2750 1 6 . 1 1 39 39 ILE CB C 30 36.973 36.973 37.459 -0.486 18220 2751 1 6 . 1 1 39 39 ILE H H 30 7.662 7.662 7.945 -0.283 18220 2752 1 6 . 1 1 40 40 ALA N N 31 122.447 122.447 121.268 1.179 18220 2753 1 6 . 1 1 40 40 ALA HA H 31 4.034 4.034 4.113 -0.079 18220 2754 1 6 . 1 1 40 40 ALA C C 31 177.067 177.067 179.914 -2.847 18220 2755 1 6 . 1 1 40 40 ALA CA C 31 55.962 55.962 55.466 0.496 18220 2756 1 6 . 1 1 40 40 ALA CB C 31 17.856 17.856 17.685 0.171 18220 2757 1 6 . 1 1 40 40 ALA H H 31 8.096 8.096 7.898 0.198 18220 2758 1 6 . 1 1 41 41 GLY N N 32 104.056 104.056 106.891 -2.835 18220 2759 1 6 . 1 1 41 41 GLY C C 32 174.251 174.251 176.337 -2.086 18220 2760 1 6 . 1 1 41 41 GLY CA C 32 46.500 46.500 46.812 -0.312 18220 2761 1 6 . 1 1 41 41 GLY H H 32 8.123 8.123 7.808 0.315 18220 2762 1 6 . 1 1 42 42 LEU N N 33 123.250 123.250 123.635 -0.385 18220 2763 1 6 . 1 1 42 42 LEU HA H 33 3.857 3.857 4.181 -0.324 18220 2764 1 6 . 1 1 42 42 LEU C C 33 176.033 176.033 178.640 -2.607 18220 2765 1 6 . 1 1 42 42 LEU CA C 33 56.668 56.668 58.569 -1.901 18220 2766 1 6 . 1 1 42 42 LEU CB C 33 41.721 41.721 42.081 -0.360 18220 2767 1 6 . 1 1 42 42 LEU H H 33 7.914 7.914 8.039 -0.125 18220 2768 1 6 . 1 1 43 43 PHE N N 34 119.757 119.757 119.932 -0.175 18220 2769 1 6 . 1 1 43 43 PHE HA H 34 4.200 4.200 4.157 0.043 18220 2770 1 6 . 1 1 43 43 PHE C C 34 174.374 174.374 177.504 -3.130 18220 2771 1 6 . 1 1 43 43 PHE CA C 34 59.876 59.876 62.091 -2.215 18220 2772 1 6 . 1 1 43 43 PHE CB C 34 38.834 38.834 38.969 -0.135 18220 2773 1 6 . 1 1 43 43 PHE H H 34 8.287 8.287 8.690 -0.403 18220 2774 1 6 . 1 1 44 44 VAL N N 35 117.791 117.791 118.806 -1.015 18220 2775 1 6 . 1 1 44 44 VAL HA H 35 3.610 3.610 3.607 0.003 18220 2776 1 6 . 1 1 44 44 VAL C C 35 176.205 176.205 178.360 -2.155 18220 2777 1 6 . 1 1 44 44 VAL CA C 35 64.559 64.559 66.843 -2.284 18220 2778 1 6 . 1 1 44 44 VAL CB C 35 31.432 31.432 30.995 0.437 18220 2779 1 6 . 1 1 44 44 VAL H H 35 8.235 8.235 8.454 -0.219 18220 2780 1 6 . 1 1 45 45 GLY N N 36 108.551 108.551 107.417 1.134 18220 2781 1 6 . 1 1 45 45 GLY C C 36 173.749 173.749 175.839 -2.090 18220 2782 1 6 . 1 1 45 45 GLY CA C 36 46.083 46.083 47.525 -1.442 18220 2783 1 6 . 1 1 45 45 GLY H H 36 8.178 8.178 8.386 -0.208 18220 2784 1 6 . 1 1 46 46 CYS N N 37 121.173 121.173 121.528 -0.355 18220 2785 1 6 . 1 1 46 46 CYS HA H 37 4.180 4.180 4.173 0.007 18220 2786 1 6 . 1 1 46 46 CYS C C 37 173.710 173.710 176.663 -2.953 18220 2787 1 6 . 1 1 46 46 CYS CA C 37 63.000 63.000 62.770 0.230 18220 2788 1 6 . 1 1 46 46 CYS CB C 37 60.283 60.283 27.350 32.933 18220 2789 1 6 . 1 1 46 46 CYS H H 37 8.253 8.253 8.041 0.212 18220 2790 1 6 . 1 1 47 47 LEU N N 38 120.283 120.283 120.985 -0.702 18220 2791 1 6 . 1 1 47 47 LEU HA H 38 4.060 4.060 3.688 0.372 18220 2792 1 6 . 1 1 47 47 LEU C C 38 176.679 176.679 178.594 -1.915 18220 2793 1 6 . 1 1 47 47 LEU CA C 38 56.027 56.027 58.213 -2.186 18220 2794 1 6 . 1 1 47 47 LEU CB C 38 41.464 41.464 41.691 -0.227 18220 2795 1 6 . 1 1 47 47 LEU H H 38 7.965 7.965 8.127 -0.162 18220 2796 1 6 . 1 1 48 48 ALA N N 39 122.249 122.249 120.698 1.551 18220 2797 1 6 . 1 1 48 48 ALA HA H 39 4.142 4.142 3.949 0.193 18220 2798 1 6 . 1 1 48 48 ALA C C 39 177.915 177.915 179.485 -1.570 18220 2799 1 6 . 1 1 48 48 ALA CA C 39 53.717 53.717 55.329 -1.612 18220 2800 1 6 . 1 1 48 48 ALA CB C 39 17.985 17.985 17.917 0.068 18220 2801 1 6 . 1 1 48 48 ALA H H 39 8.066 8.066 8.408 -0.342 18220 2802 1 6 . 1 1 49 49 GLY N N 40 107.377 107.377 107.335 0.042 18220 2803 1 6 . 1 1 49 49 GLY C C 40 172.527 172.527 175.870 -3.343 18220 2804 1 6 . 1 1 49 49 GLY CA C 40 45.450 45.450 47.120 -1.669 18220 2805 1 6 . 1 1 49 49 GLY H H 40 8.172 8.172 8.114 0.058 18220 2806 1 6 . 1 1 50 50 TYR N N 41 122.409 122.409 123.845 -1.436 18220 2807 1 6 . 1 1 50 50 TYR HA H 41 3.799 3.799 4.052 -0.253 18220 2808 1 6 . 1 1 50 50 TYR C C 41 174.208 174.208 178.278 -4.070 18220 2809 1 6 . 1 1 50 50 TYR CA C 41 59.245 59.245 61.591 -2.346 18220 2810 1 6 . 1 1 50 50 TYR CB C 41 37.936 37.936 38.157 -0.221 18220 2811 1 6 . 1 1 50 50 TYR H H 41 7.800 7.800 8.316 -0.516 18220 2812 1 6 . 1 1 51 51 GLY N N 42 106.935 106.935 105.776 1.159 18220 2813 1 6 . 1 1 51 51 GLY C C 42 172.642 172.642 175.604 -2.962 18220 2814 1 6 . 1 1 51 51 GLY CA C 42 46.265 46.265 47.056 -0.791 18220 2815 1 6 . 1 1 51 51 GLY H H 42 8.199 8.199 8.186 0.013 18220 2816 1 6 . 1 1 52 52 ALA N N 43 123.018 123.018 124.748 -1.730 18220 2817 1 6 . 1 1 52 52 ALA HA H 43 4.150 4.150 3.917 0.233 18220 2818 1 6 . 1 1 52 52 ALA C C 43 176.398 176.398 179.291 -2.893 18220 2819 1 6 . 1 1 52 52 ALA CA C 43 52.883 52.883 55.125 -2.242 18220 2820 1 6 . 1 1 52 52 ALA CB C 43 18.241 18.241 18.407 -0.166 18220 2821 1 6 . 1 1 52 52 ALA H H 43 7.758 7.758 8.444 -0.686 18220 2822 1 6 . 1 1 53 53 TYR N N 44 119.664 119.664 119.718 -0.054 18220 2823 1 6 . 1 1 53 53 TYR HA H 44 4.318 4.318 4.260 0.058 18220 2824 1 6 . 1 1 53 53 TYR C C 44 174.180 174.180 177.564 -3.384 18220 2825 1 6 . 1 1 53 53 TYR CA C 44 58.593 58.593 59.861 -1.268 18220 2826 1 6 . 1 1 53 53 TYR CB C 44 38.192 38.192 38.504 -0.312 18220 2827 1 6 . 1 1 53 53 TYR H H 44 7.920 7.920 8.052 -0.132 18220 2828 1 6 . 1 1 54 54 ARG N N 45 119.516 119.516 119.000 0.516 18220 2829 1 6 . 1 1 54 54 ARG HA H 45 3.930 3.930 3.988 -0.058 18220 2830 1 6 . 1 1 54 54 ARG C C 45 174.423 174.423 178.004 -3.581 18220 2831 1 6 . 1 1 54 54 ARG CA C 45 56.027 56.027 58.541 -2.514 18220 2832 1 6 . 1 1 54 54 ARG CB C 45 30.173 30.173 30.676 -0.503 18220 2833 1 6 . 1 1 54 54 ARG H H 45 7.956 7.956 8.073 -0.117 18220 2834 1 6 . 1 1 55 55 VAL N N 46 116.437 116.437 115.369 1.068 18220 2835 1 6 . 1 1 55 55 VAL HA H 46 4.060 4.060 4.015 0.045 18220 2836 1 6 . 1 1 55 55 VAL C C 46 173.806 173.806 176.475 -2.669 18220 2837 1 6 . 1 1 55 55 VAL CA C 46 62.300 62.300 63.194 -0.895 18220 2838 1 6 . 1 1 55 55 VAL CB C 46 31.521 31.521 31.852 -0.331 18220 2839 1 6 . 1 1 55 55 VAL H H 46 7.489 7.489 8.149 -0.660 18220 2840 1 6 . 1 1 56 56 SER N N 47 117.185 117.185 116.500 0.685 18220 2841 1 6 . 1 1 56 56 SER HA H 47 4.401 4.401 4.118 0.283 18220 2842 1 6 . 1 1 56 56 SER C C 47 172.074 172.074 173.983 -1.909 18220 2843 1 6 . 1 1 56 56 SER CA C 47 58.133 58.133 59.540 -1.407 18220 2844 1 6 . 1 1 56 56 SER CB C 47 63.468 63.468 62.315 1.153 18220 2845 1 6 . 1 1 56 56 SER H H 47 7.728 7.728 8.159 -0.431 18220 2846 1 6 . 1 1 57 57 ASN N N 48 121.049 121.049 121.385 -0.336 18220 2847 1 6 . 1 1 57 57 ASN HA H 48 4.590 4.590 4.813 -0.223 18220 2848 1 6 . 1 1 57 57 ASN CA C 48 53.600 53.600 53.709 -0.109 18220 2849 1 6 . 1 1 57 57 ASN CB C 48 38.641 38.641 39.513 -0.872 18220 2850 1 6 . 1 1 57 57 ASN H H 48 8.228 8.228 8.671 -0.443 18220 2851 1 6 . 1 1 58 58 ASP N N 49 120.276 120.276 119.784 0.492 18220 2852 1 6 . 1 1 58 58 ASP HA H 49 4.530 4.530 4.544 -0.014 18220 2853 1 6 . 1 1 58 58 ASP CA C 49 54.202 54.202 55.221 -1.019 18220 2854 1 6 . 1 1 58 58 ASP CB C 49 40.374 40.374 40.931 -0.557 18220 2855 1 6 . 1 1 58 58 ASP H H 49 8.192 8.192 8.433 -0.241 18220 2856 1 6 . 1 1 59 59 LYS N N 50 120.660 120.660 117.287 3.373 18220 2857 1 6 . 1 1 59 59 LYS HA H 50 4.200 4.200 4.377 -0.177 18220 2858 1 6 . 1 1 59 59 LYS C C 50 173.474 173.474 174.235 -0.761 18220 2859 1 6 . 1 1 59 59 LYS CA C 50 56.300 56.300 56.199 0.101 18220 2860 1 6 . 1 1 59 59 LYS CB C 50 32.034 32.034 33.897 -1.863 18220 2861 1 6 . 1 1 59 59 LYS H H 50 8.003 8.003 7.848 0.155 18220 2862 1 6 . 1 1 60 60 ARG N N 51 121.278 121.278 119.821 1.457 18220 2863 1 6 . 1 1 60 60 ARG HA H 51 4.200 4.200 4.589 -0.389 18220 2864 1 6 . 1 1 60 60 ARG C C 51 173.303 173.303 174.177 -0.874 18220 2865 1 6 . 1 1 60 60 ARG CA C 51 56.283 56.283 56.285 -0.002 18220 2866 1 6 . 1 1 60 60 ARG CB C 51 30.238 30.238 31.170 -0.932 18220 2867 1 6 . 1 1 60 60 ARG H H 51 8.091 8.091 8.492 -0.401 18220 2868 1 6 . 1 1 61 61 ASP N N 52 121.185 121.185 123.051 -1.866 18220 2869 1 6 . 1 1 61 61 ASP HA H 52 4.615 4.615 4.698 -0.083 18220 2870 1 6 . 1 1 61 61 ASP C C 52 173.777 173.777 176.205 -2.428 18220 2871 1 6 . 1 1 61 61 ASP CA C 52 53.979 53.979 53.247 0.732 18220 2872 1 6 . 1 1 61 61 ASP CB C 52 40.245 40.245 43.394 -3.149 18220 2873 1 6 . 1 1 61 61 ASP H H 52 8.261 8.261 7.893 0.368 18220 2874 1 6 . 1 1 62 62 VAL N N 53 121.902 121.902 122.074 -0.172 18220 2875 1 6 . 1 1 62 62 VAL HA H 53 3.950 3.950 3.846 0.104 18220 2876 1 6 . 1 1 62 62 VAL C C 53 173.279 173.279 176.977 -3.698 18220 2877 1 6 . 1 1 62 62 VAL CA C 53 63.176 63.176 64.647 -1.472 18220 2878 1 6 . 1 1 62 62 VAL CB C 53 32.099 32.099 32.211 -0.112 18220 2879 1 6 . 1 1 62 62 VAL H H 53 7.997 7.997 8.206 -0.209 18220 2880 1 6 . 1 1 63 63 LYS N N 54 123.522 123.522 119.192 4.330 18220 2881 1 6 . 1 1 63 63 LYS HA H 54 4.260 4.260 4.052 0.208 18220 2882 1 6 . 1 1 63 63 LYS C C 54 174.481 174.481 178.749 -4.268 18220 2883 1 6 . 1 1 63 63 LYS CA C 54 56.347 56.347 59.310 -2.963 18220 2884 1 6 . 1 1 63 63 LYS CB C 54 32.099 32.099 31.649 0.450 18220 2885 1 6 . 1 1 63 63 LYS H H 54 8.054 8.054 8.341 -0.287 18220 2886 1 6 . 1 1 64 64 VAL N N 55 120.647 120.647 117.116 3.531 18220 2887 1 6 . 1 1 64 64 VAL HA H 55 3.947 3.947 3.555 0.392 18220 2888 1 6 . 1 1 64 64 VAL C C 55 174.955 174.955 178.121 -3.166 18220 2889 1 6 . 1 1 64 64 VAL CA C 55 64.600 64.600 66.535 -1.935 18220 2890 1 6 . 1 1 64 64 VAL CB C 55 31.877 31.877 31.241 0.636 18220 2891 1 6 . 1 1 64 64 VAL H H 55 8.225 8.225 7.801 0.424 18220 2892 1 6 . 1 1 65 65 SER N N 56 117.785 117.785 115.071 2.714 18220 2893 1 6 . 1 1 65 65 SER HA H 56 4.390 4.390 4.211 0.179 18220 2894 1 6 . 1 1 65 65 SER C C 56 172.300 172.300 176.927 -4.627 18220 2895 1 6 . 1 1 65 65 SER CA C 56 60.000 60.000 61.444 -1.444 18220 2896 1 6 . 1 1 65 65 SER CB C 56 62.879 62.879 62.552 0.327 18220 2897 1 6 . 1 1 65 65 SER H H 56 8.260 8.260 8.095 0.165 18220 2898 1 6 . 1 1 66 66 LEU N N 57 123.318 123.318 121.562 1.756 18220 2899 1 6 . 1 1 66 66 LEU HA H 57 4.090 4.090 4.136 -0.046 18220 2900 1 6 . 1 1 66 66 LEU C C 57 175.932 175.932 179.125 -3.193 18220 2901 1 6 . 1 1 66 66 LEU CA C 57 57.502 57.502 57.880 -0.379 18220 2902 1 6 . 1 1 66 66 LEU CB C 57 41.721 41.721 41.260 0.461 18220 2903 1 6 . 1 1 66 66 LEU H H 57 8.091 8.091 7.786 0.305 18220 2904 1 6 . 1 1 67 67 PHE N N 58 118.020 118.020 119.486 -1.466 18220 2905 1 6 . 1 1 67 67 PHE HA H 58 4.330 4.330 4.399 -0.069 18220 2906 1 6 . 1 1 67 67 PHE C C 58 174.912 174.912 177.453 -2.541 18220 2907 1 6 . 1 1 67 67 PHE CA C 58 60.600 60.600 61.395 -0.795 18220 2908 1 6 . 1 1 67 67 PHE CB C 58 38.552 38.552 38.985 -0.433 18220 2909 1 6 . 1 1 67 67 PHE H H 58 8.066 8.066 8.591 -0.525 18220 2910 1 6 . 1 1 68 68 THR N N 59 115.324 115.324 118.395 -3.071 18220 2911 1 6 . 1 1 68 68 THR HA H 59 4.310 4.310 4.167 0.143 18220 2912 1 6 . 1 1 68 68 THR C C 59 173.380 173.380 176.391 -3.011 18220 2913 1 6 . 1 1 68 68 THR CA C 59 66.313 66.313 67.011 -0.698 18220 2914 1 6 . 1 1 68 68 THR CB C 59 67.700 67.700 68.467 -0.767 18220 2915 1 6 . 1 1 68 68 THR H H 59 8.287 8.287 8.349 -0.062 18220 2916 1 6 . 1 1 69 69 ALA N N 60 123.621 123.621 124.617 -0.996 18220 2917 1 6 . 1 1 69 69 ALA HA H 60 4.280 4.280 4.309 -0.029 18220 2918 1 6 . 1 1 69 69 ALA C C 60 176.978 176.978 179.229 -2.251 18220 2919 1 6 . 1 1 69 69 ALA CA C 60 55.100 55.100 54.903 0.197 18220 2920 1 6 . 1 1 69 69 ALA CB C 60 17.728 17.728 18.163 -0.435 18220 2921 1 6 . 1 1 69 69 ALA H H 60 7.983 7.983 8.333 -0.350 18220 2922 1 6 . 1 1 70 70 PHE N N 61 118.520 118.520 120.221 -1.701 18220 2923 1 6 . 1 1 70 70 PHE HA H 61 4.260 4.260 4.122 0.138 18220 2924 1 6 . 1 1 70 70 PHE C C 61 175.369 175.369 176.974 -1.605 18220 2925 1 6 . 1 1 70 70 PHE CA C 61 60.179 60.179 61.463 -1.284 18220 2926 1 6 . 1 1 70 70 PHE CB C 61 38.706 38.706 39.187 -0.481 18220 2927 1 6 . 1 1 70 70 PHE H H 61 8.007 8.007 8.385 -0.378 18220 2928 1 6 . 1 1 71 71 PHE N N 62 122.314 122.314 119.523 2.791 18220 2929 1 6 . 1 1 71 71 PHE HA H 62 4.000 4.000 4.082 -0.082 18220 2930 1 6 . 1 1 71 71 PHE C C 62 174.697 174.697 177.108 -2.411 18220 2931 1 6 . 1 1 71 71 PHE CA C 62 60.517 60.517 61.810 -1.293 18220 2932 1 6 . 1 1 71 71 PHE CB C 62 38.770 38.770 39.021 -0.251 18220 2933 1 6 . 1 1 71 71 PHE H H 62 8.546 8.546 8.051 0.495 18220 2934 1 6 . 1 1 72 72 LEU N N 63 119.399 119.399 120.543 -1.144 18220 2935 1 6 . 1 1 72 72 LEU HA H 63 3.870 3.870 3.848 0.022 18220 2936 1 6 . 1 1 72 72 LEU C C 63 175.774 175.774 178.479 -2.705 18220 2937 1 6 . 1 1 72 72 LEU CA C 63 56.925 56.925 58.386 -1.461 18220 2938 1 6 . 1 1 72 72 LEU CB C 63 41.207 41.207 41.886 -0.679 18220 2939 1 6 . 1 1 72 72 LEU H H 63 8.396 8.396 8.117 0.279 18220 2940 1 6 . 1 1 73 73 ALA N N 64 120.221 120.221 119.933 0.288 18220 2941 1 6 . 1 1 73 73 ALA HA H 64 3.960 3.960 3.857 0.103 18220 2942 1 6 . 1 1 73 73 ALA C C 64 177.267 177.267 179.371 -2.104 18220 2943 1 6 . 1 1 73 73 ALA CA C 64 54.600 54.600 55.225 -0.625 18220 2944 1 6 . 1 1 73 73 ALA CB C 64 17.784 17.784 17.910 -0.126 18220 2945 1 6 . 1 1 73 73 ALA H H 64 8.025 8.025 8.216 -0.191 18220 2946 1 6 . 1 1 74 74 THR N N 65 113.648 113.648 114.543 -0.895 18220 2947 1 6 . 1 1 74 74 THR HA H 65 3.980 3.980 3.899 0.081 18220 2948 1 6 . 1 1 74 74 THR CA C 65 66.291 66.291 66.454 -0.163 18220 2949 1 6 . 1 1 74 74 THR CB C 65 67.914 67.914 68.293 -0.379 18220 2950 1 6 . 1 1 74 74 THR H H 65 7.717 7.717 7.813 -0.096 18220 2951 1 6 . 1 1 75 75 ILE N N 66 120.291 120.291 120.109 0.182 18220 2952 1 6 . 1 1 75 75 ILE HA H 66 3.740 3.740 3.747 -0.007 18220 2953 1 6 . 1 1 75 75 ILE C C 66 174.951 174.951 177.166 -2.215 18220 2954 1 6 . 1 1 75 75 ILE CA C 66 64.880 64.880 62.828 2.053 18220 2955 1 6 . 1 1 75 75 ILE CB C 66 37.166 37.166 37.316 -0.150 18220 2956 1 6 . 1 1 75 75 ILE H H 66 7.738 7.738 7.893 -0.155 18220 2957 1 6 . 1 1 76 76 MET N N 67 117.618 117.618 116.145 1.473 18220 2958 1 6 . 1 1 76 76 MET HA H 67 4.220 4.220 4.286 -0.066 18220 2959 1 6 . 1 1 76 76 MET C C 67 175.142 175.142 177.733 -2.591 18220 2960 1 6 . 1 1 76 76 MET CA C 67 56.723 56.723 57.213 -0.490 18220 2961 1 6 . 1 1 76 76 MET CB C 67 31.951 31.951 33.305 -1.354 18220 2962 1 6 . 1 1 76 76 MET H H 67 7.823 7.823 8.073 -0.250 18220 2963 1 6 . 1 1 77 77 GLY N N 68 107.110 107.110 105.911 1.199 18220 2964 1 6 . 1 1 77 77 GLY C C 68 172.260 172.260 173.021 -0.761 18220 2965 1 6 . 1 1 77 77 GLY CA C 68 45.800 45.800 44.864 0.936 18220 2966 1 6 . 1 1 77 77 GLY H H 68 7.937 7.937 8.293 -0.356 18220 2967 1 6 . 1 1 78 78 VAL N N 69 120.431 120.431 123.472 -3.041 18220 2968 1 6 . 1 1 78 78 VAL HA H 69 4.220 4.220 4.259 -0.039 18220 2969 1 6 . 1 1 78 78 VAL CA C 69 63.900 63.900 60.429 3.471 18220 2970 1 6 . 1 1 78 78 VAL CB C 69 31.506 31.506 34.159 -2.653 18220 2971 1 6 . 1 1 78 78 VAL H H 69 7.697 7.697 8.060 -0.363 18220 2972 1 6 . 1 1 79 79 ARG N N 70 121.420 121.420 127.432 -6.012 18220 2973 1 6 . 1 1 79 79 ARG HA H 70 3.810 3.810 4.435 -0.625 18220 2974 1 6 . 1 1 79 79 ARG CA C 70 56.400 56.400 56.092 0.308 18220 2975 1 6 . 1 1 79 79 ARG CB C 70 30.097 30.097 29.689 0.409 18220 2976 1 6 . 1 1 79 79 ARG H H 70 7.889 7.889 8.429 -0.540 18220 2977 1 6 . 1 1 80 80 PHE N N 71 119.949 119.949 124.836 -4.887 18220 2978 1 6 . 1 1 80 80 PHE HA H 71 4.510 4.510 4.419 0.091 18220 2979 1 6 . 1 1 80 80 PHE CA C 71 58.600 58.600 58.312 0.288 18220 2980 1 6 . 1 1 80 80 PHE CB C 71 39.145 39.145 39.700 -0.555 18220 2981 1 6 . 1 1 80 80 PHE H H 71 8.101 8.101 8.360 -0.259 18220 2982 1 6 . 1 1 81 81 LYS N N 72 122.193 122.193 119.371 2.822 18220 2983 1 6 . 1 1 81 81 LYS CA C 72 56.800 56.800 56.994 -0.194 18220 2984 1 6 . 1 1 81 81 LYS CB C 72 32.322 32.322 31.549 0.773 18220 2985 1 6 . 1 1 81 81 LYS H H 72 8.090 8.090 8.521 -0.431 18220 2986 1 6 . 1 1 82 82 ARG N N 73 119.650 119.650 120.606 -0.956 18220 2987 1 6 . 1 1 82 82 ARG CA C 73 56.089 56.089 55.966 0.123 18220 2988 1 6 . 1 1 82 82 ARG CB C 73 30.171 30.171 31.506 -1.335 18220 2989 1 6 . 1 1 82 82 ARG H H 73 8.052 8.052 8.127 -0.075 18220 2990 1 6 . 1 1 83 83 SER N N 74 115.734 115.734 118.139 -2.405 18220 2991 1 6 . 1 1 83 83 SER CA C 74 58.355 58.355 58.808 -0.453 18220 2992 1 6 . 1 1 83 83 SER CB C 74 63.404 63.404 63.641 -0.237 18220 2993 1 6 . 1 1 83 83 SER H H 74 7.912 7.912 8.033 -0.121 18220 2994 1 6 . 1 1 84 84 LYS N N 75 122.370 122.370 124.729 -2.359 18220 2995 1 6 . 1 1 84 84 LYS CA C 75 56.135 56.135 55.824 0.311 18220 2996 1 6 . 1 1 84 84 LYS CB C 75 32.175 32.175 30.993 1.182 18220 2997 1 6 . 1 1 84 84 LYS H H 75 8.067 8.067 8.486 -0.419 18220 2998 1 6 . 1 1 86 86 ILE N N 77 119.592 119.592 121.509 -1.917 18220 2999 1 6 . 1 1 86 86 ILE HA H 77 3.810 3.810 4.240 -0.430 18220 3000 1 6 . 1 1 86 86 ILE CA C 77 64.900 64.900 61.280 3.620 18220 3001 1 6 . 1 1 86 86 ILE CB C 77 39.145 39.145 37.447 1.698 18220 3002 1 6 . 1 1 86 86 ILE H H 77 7.837 7.837 8.510 -0.673 18220 3003 1 6 . 1 1 87 87 MET N N 78 121.645 121.645 122.516 -0.871 18220 3004 1 6 . 1 1 87 87 MET CA C 78 52.982 52.982 58.036 -5.054 18220 3005 1 6 . 1 1 87 87 MET CB C 78 32.173 32.173 31.722 0.451 18220 3006 1 6 . 1 1 87 87 MET H H 78 7.950 7.950 8.402 -0.452 18220 3007 1 6 . 1 1 88 88 PRO HA H 79 4.140 4.140 4.401 -0.261 18220 3008 1 6 . 1 1 88 88 PRO C C 79 173.921 173.921 178.073 -4.152 18220 3009 1 6 . 1 1 88 88 PRO CA C 79 62.800 62.800 65.757 -2.957 18220 3010 1 6 . 1 1 88 88 PRO CB C 79 31.136 31.136 31.492 -0.356 18220 3011 1 6 . 1 1 89 89 ALA N N 80 124.431 124.431 120.978 3.453 18220 3012 1 6 . 1 1 89 89 ALA HA H 80 4.400 4.400 4.084 0.316 18220 3013 1 6 . 1 1 89 89 ALA C C 80 176.234 176.234 179.836 -3.602 18220 3014 1 6 . 1 1 89 89 ALA CA C 80 53.300 53.300 54.953 -1.653 18220 3015 1 6 . 1 1 89 89 ALA CB C 80 18.498 18.498 18.285 0.213 18220 3016 1 6 . 1 1 89 89 ALA H H 80 8.320 8.320 8.279 0.041 18220 3017 1 6 . 1 1 90 90 GLY N N 81 106.834 106.834 107.026 -0.192 18220 3018 1 6 . 1 1 90 90 GLY C C 81 172.398 172.398 176.202 -3.804 18220 3019 1 6 . 1 1 90 90 GLY CA C 81 45.600 45.600 47.251 -1.651 18220 3020 1 6 . 1 1 90 90 GLY H H 81 8.458 8.458 8.467 -0.009 18220 3021 1 6 . 1 1 91 91 LEU N N 82 121.043 121.043 122.348 -1.305 18220 3022 1 6 . 1 1 91 91 LEU HA H 82 4.200 4.200 4.049 0.151 18220 3023 1 6 . 1 1 91 91 LEU C C 82 174.783 174.783 178.955 -4.172 18220 3024 1 6 . 1 1 91 91 LEU CA C 82 56.300 56.300 57.772 -1.472 18220 3025 1 6 . 1 1 91 91 LEU CB C 82 42.106 42.106 41.348 0.758 18220 3026 1 6 . 1 1 91 91 LEU H H 82 7.687 7.687 7.579 0.108 18220 3027 1 6 . 1 1 92 92 VAL N N 83 114.737 114.737 118.372 -3.635 18220 3028 1 6 . 1 1 92 92 VAL HA H 83 3.980 3.980 3.591 0.389 18220 3029 1 6 . 1 1 92 92 VAL C C 83 173.634 173.634 178.032 -4.398 18220 3030 1 6 . 1 1 92 92 VAL CA C 83 62.400 62.400 66.386 -3.986 18220 3031 1 6 . 1 1 92 92 VAL CB C 83 31.585 31.585 30.998 0.587 18220 3032 1 6 . 1 1 92 92 VAL H H 83 7.602 7.602 7.889 -0.287 18220 3033 1 6 . 1 1 93 93 ALA N N 84 124.320 124.320 121.595 2.725 18220 3034 1 6 . 1 1 93 93 ALA HA H 84 4.150 4.150 4.150 0.000 18220 3035 1 6 . 1 1 93 93 ALA C C 84 175.746 175.746 179.732 -3.986 18220 3036 1 6 . 1 1 93 93 ALA CA C 84 53.300 53.300 55.190 -1.890 18220 3037 1 6 . 1 1 93 93 ALA CB C 84 18.241 18.241 18.114 0.127 18220 3038 1 6 . 1 1 93 93 ALA H H 84 7.891 7.891 8.237 -0.346 18220 3039 1 6 . 1 1 94 94 GLY N N 85 106.807 106.807 108.172 -1.365 18220 3040 1 6 . 1 1 94 94 GLY C C 85 171.752 171.752 176.068 -4.316 18220 3041 1 6 . 1 1 94 94 GLY CA C 85 45.249 45.249 46.855 -1.606 18220 3042 1 6 . 1 1 94 94 GLY H H 85 8.204 8.204 8.095 0.109 18220 3043 1 6 . 1 1 95 95 LEU N N 86 121.266 121.266 121.868 -0.602 18220 3044 1 6 . 1 1 95 95 LEU HA H 86 4.380 4.380 3.911 0.469 18220 3045 1 6 . 1 1 95 95 LEU C C 86 173.702 173.702 179.323 -5.621 18220 3046 1 6 . 1 1 95 95 LEU CA C 86 55.000 55.000 58.037 -3.037 18220 3047 1 6 . 1 1 95 95 LEU CB C 86 42.298 42.298 41.685 0.613 18220 3048 1 6 . 1 1 95 95 LEU H H 86 7.718 7.718 8.398 -0.680 18220 3049 1 6 . 1 1 96 96 SER N N 87 115.658 115.658 114.718 0.940 18220 3050 1 6 . 1 1 96 96 SER HA H 87 4.370 4.370 4.172 0.198 18220 3051 1 6 . 1 1 96 96 SER C C 87 172.479 172.479 176.492 -4.013 18220 3052 1 6 . 1 1 96 96 SER CA C 87 57.200 57.200 61.947 -4.747 18220 3053 1 6 . 1 1 96 96 SER CB C 87 64.174 64.174 63.188 0.986 18220 3054 1 6 . 1 1 96 96 SER H H 87 7.659 7.659 8.101 -0.442 18220 3055 1 6 . 1 1 97 97 LEU N N 88 123.720 123.720 122.250 1.470 18220 3056 1 6 . 1 1 97 97 LEU HA H 88 4.600 4.600 3.959 0.641 18220 3057 1 6 . 1 1 97 97 LEU C C 88 175.932 175.932 178.867 -2.935 18220 3058 1 6 . 1 1 97 97 LEU CA C 88 57.600 57.600 57.980 -0.380 18220 3059 1 6 . 1 1 97 97 LEU CB C 88 41.400 41.400 41.275 0.125 18220 3060 1 6 . 1 1 97 97 LEU H H 88 8.733 8.733 8.101 0.632 18220 3061 1 6 . 1 1 98 98 MET N N 89 116.684 116.684 118.506 -1.822 18220 3062 1 6 . 1 1 98 98 MET HA H 89 4.280 4.280 4.038 0.242 18220 3063 1 6 . 1 1 98 98 MET C C 89 175.789 175.789 178.619 -2.830 18220 3064 1 6 . 1 1 98 98 MET CA C 89 56.915 56.915 58.384 -1.469 18220 3065 1 6 . 1 1 98 98 MET CB C 89 31.007 31.007 32.200 -1.192 18220 3066 1 6 . 1 1 98 98 MET H H 89 8.342 8.342 8.096 0.246 18220 3067 1 6 . 1 1 99 99 MET N N 90 119.182 119.182 119.326 -0.144 18220 3068 1 6 . 1 1 99 99 MET HA H 90 4.110 4.110 3.977 0.133 18220 3069 1 6 . 1 1 99 99 MET C C 90 175.588 175.588 178.467 -2.879 18220 3070 1 6 . 1 1 99 99 MET CA C 90 57.951 57.951 59.711 -1.760 18220 3071 1 6 . 1 1 99 99 MET CB C 90 32.226 32.226 32.469 -0.243 18220 3072 1 6 . 1 1 99 99 MET H H 90 7.720 7.720 7.918 -0.198 18220 3073 1 6 . 1 1 100 100 ILE N N 91 119.077 119.077 119.851 -0.774 18220 3074 1 6 . 1 1 100 100 ILE HA H 91 4.110 4.110 3.589 0.521 18220 3075 1 6 . 1 1 100 100 ILE C C 91 174.634 174.634 178.107 -3.473 18220 3076 1 6 . 1 1 100 100 ILE CA C 91 64.100 64.100 65.716 -1.617 18220 3077 1 6 . 1 1 100 100 ILE CB C 91 37.143 37.143 37.689 -0.546 18220 3078 1 6 . 1 1 100 100 ILE H H 91 7.662 7.662 8.092 -0.430 18220 3079 1 6 . 1 1 101 101 LEU N N 92 119.646 119.646 119.127 0.519 18220 3080 1 6 . 1 1 101 101 LEU HA H 92 4.530 4.530 3.870 0.660 18220 3081 1 6 . 1 1 101 101 LEU C C 92 175.430 175.430 179.011 -3.581 18220 3082 1 6 . 1 1 101 101 LEU CA C 92 57.800 57.800 57.882 -0.082 18220 3083 1 6 . 1 1 101 101 LEU CB C 92 40.758 40.758 41.720 -0.962 18220 3084 1 6 . 1 1 101 101 LEU H H 92 8.142 8.142 8.137 0.005 18220 3085 1 6 . 1 1 102 102 ARG N N 93 116.394 116.394 120.006 -3.612 18220 3086 1 6 . 1 1 102 102 ARG HA H 93 4.140 4.140 4.048 0.092 18220 3087 1 6 . 1 1 102 102 ARG C C 93 175.961 175.961 178.485 -2.524 18220 3088 1 6 . 1 1 102 102 ARG CA C 93 59.100 59.100 58.984 0.116 18220 3089 1 6 . 1 1 102 102 ARG CB C 93 29.404 29.404 29.601 -0.197 18220 3090 1 6 . 1 1 102 102 ARG H H 93 7.893 7.893 8.126 -0.233 18220 3091 1 6 . 1 1 103 103 LEU N N 94 119.114 119.114 118.946 0.168 18220 3092 1 6 . 1 1 103 103 LEU HA H 94 4.110 4.110 4.019 0.091 18220 3093 1 6 . 1 1 103 103 LEU C C 94 175.889 175.889 178.725 -2.836 18220 3094 1 6 . 1 1 103 103 LEU CA C 94 57.300 57.300 57.862 -0.562 18220 3095 1 6 . 1 1 103 103 LEU CB C 94 41.296 41.296 41.828 -0.532 18220 3096 1 6 . 1 1 103 103 LEU H H 94 7.622 7.622 8.075 -0.453 18220 3097 1 6 . 1 1 104 104 VAL N N 95 117.704 117.704 117.722 -0.018 18220 3098 1 6 . 1 1 104 104 VAL HA H 95 3.530 3.530 3.863 -0.333 18220 3099 1 6 . 1 1 104 104 VAL C C 95 175.042 175.042 178.186 -3.144 18220 3100 1 6 . 1 1 104 104 VAL CA C 95 66.419 66.419 64.623 1.796 18220 3101 1 6 . 1 1 104 104 VAL CB C 95 31.357 31.357 31.393 -0.036 18220 3102 1 6 . 1 1 104 104 VAL H H 95 8.026 8.026 7.080 0.946 18220 3103 1 6 . 1 1 105 105 LEU N N 96 117.185 117.185 121.309 -4.124 18220 3104 1 6 . 1 1 105 105 LEU HA H 96 3.980 3.980 3.936 0.044 18220 3105 1 6 . 1 1 105 105 LEU C C 96 176.579 176.579 178.979 -2.400 18220 3106 1 6 . 1 1 105 105 LEU CA C 96 56.800 56.800 58.150 -1.350 18220 3107 1 6 . 1 1 105 105 LEU CB C 96 40.951 40.951 41.233 -0.283 18220 3108 1 6 . 1 1 105 105 LEU H H 96 7.893 7.893 8.025 -0.132 18220 3109 1 6 . 1 1 106 106 LEU N N 97 118.471 118.471 119.533 -1.062 18220 3110 1 6 . 1 1 106 106 LEU HA H 97 4.180 4.180 3.954 0.226 18220 3111 1 6 . 1 1 106 106 LEU C C 97 175.802 175.802 178.771 -2.969 18220 3112 1 6 . 1 1 106 106 LEU CA C 97 56.300 56.300 57.453 -1.153 18220 3113 1 6 . 1 1 106 106 LEU CB C 97 41.592 41.592 41.123 0.469 18220 3114 1 6 . 1 1 106 106 LEU H H 97 7.545 7.545 8.244 -0.699 18220 3115 1 6 . 1 1 107 107 LEU N N 98 118.162 118.162 119.135 -0.973 18220 3116 1 6 . 1 1 107 107 LEU HA H 98 4.230 4.230 4.036 0.194 18220 3117 1 6 . 1 1 107 107 LEU C C 98 174.174 174.174 177.959 -3.785 18220 3118 1 6 . 1 1 107 107 LEU CA C 98 56.283 56.283 56.455 -0.172 18220 3119 1 6 . 1 1 107 107 LEU CB C 98 42.362 42.362 42.495 -0.133 18220 3120 1 6 . 1 1 107 107 LEU H H 98 7.688 7.688 7.632 0.056 18220 3121 1 7 . 1 1 11 11 ASP N N 2 120.536 120.536 121.536 -1.000 18220 3122 1 7 . 1 1 11 11 ASP CA C 2 55.918 55.918 54.599 1.319 18220 3123 1 7 . 1 1 11 11 ASP CB C 2 37.959 37.959 40.774 -2.815 18220 3124 1 7 . 1 1 11 11 ASP H H 2 7.863 7.863 8.307 -0.444 18220 3125 1 7 . 1 1 12 12 LEU N N 3 121.414 121.414 122.390 -0.976 18220 3126 1 7 . 1 1 12 12 LEU C C 3 176.162 176.162 176.365 -0.203 18220 3127 1 7 . 1 1 12 12 LEU CA C 3 57.600 57.600 54.977 2.623 18220 3128 1 7 . 1 1 12 12 LEU CB C 3 41.657 41.657 41.852 -0.195 18220 3129 1 7 . 1 1 12 12 LEU H H 3 8.285 8.285 8.105 0.180 18220 3130 1 7 . 1 1 13 13 ILE N N 4 118.854 118.854 117.395 1.459 18220 3131 1 7 . 1 1 13 13 ILE HA H 4 3.740 3.740 4.570 -0.830 18220 3132 1 7 . 1 1 13 13 ILE C C 4 175.228 175.228 176.337 -1.109 18220 3133 1 7 . 1 1 13 13 ILE CA C 4 64.500 64.500 61.530 2.970 18220 3134 1 7 . 1 1 13 13 ILE CB C 4 37.102 37.102 39.899 -2.797 18220 3135 1 7 . 1 1 13 13 ILE H H 4 8.031 8.031 8.302 -0.271 18220 3136 1 7 . 1 1 14 14 GLY N N 5 107.478 107.478 109.460 -1.982 18220 3137 1 7 . 1 1 14 14 GLY C C 5 174.424 174.424 173.475 0.949 18220 3138 1 7 . 1 1 14 14 GLY CA C 5 47.059 47.059 45.106 1.953 18220 3139 1 7 . 1 1 14 14 GLY H H 5 8.148 8.148 7.865 0.283 18220 3140 1 7 . 1 1 15 15 PHE N N 6 122.774 122.774 125.112 -2.338 18220 3141 1 7 . 1 1 15 15 PHE HA H 6 4.480 4.480 4.550 -0.070 18220 3142 1 7 . 1 1 15 15 PHE C C 6 175.113 175.113 177.015 -1.902 18220 3143 1 7 . 1 1 15 15 PHE CA C 6 60.017 60.017 59.271 0.746 18220 3144 1 7 . 1 1 15 15 PHE CB C 6 38.774 38.774 39.882 -1.108 18220 3145 1 7 . 1 1 15 15 PHE H H 6 8.194 8.194 8.535 -0.341 18220 3146 1 7 . 1 1 16 16 GLY N N 7 107.938 107.938 108.270 -0.332 18220 3147 1 7 . 1 1 16 16 GLY C C 7 171.838 171.838 176.071 -4.233 18220 3148 1 7 . 1 1 16 16 GLY CA C 7 47.100 47.100 47.601 -0.501 18220 3149 1 7 . 1 1 16 16 GLY H H 7 8.697 8.697 8.614 0.083 18220 3150 1 7 . 1 1 17 17 TYR N N 8 121.785 121.785 123.168 -1.383 18220 3151 1 7 . 1 1 17 17 TYR HA H 8 4.150 4.150 4.139 0.011 18220 3152 1 7 . 1 1 17 17 TYR C C 8 174.180 174.180 177.580 -3.400 18220 3153 1 7 . 1 1 17 17 TYR CA C 8 61.300 61.300 61.335 -0.035 18220 3154 1 7 . 1 1 17 17 TYR CB C 8 37.959 37.959 38.377 -0.418 18220 3155 1 7 . 1 1 17 17 TYR H H 8 8.710 8.710 8.416 0.294 18220 3156 1 7 . 1 1 18 18 ALA N N 9 120.233 120.233 120.466 -0.233 18220 3157 1 7 . 1 1 18 18 ALA HA H 9 3.950 3.950 3.955 -0.005 18220 3158 1 7 . 1 1 18 18 ALA C C 9 178.059 178.059 178.957 -0.898 18220 3159 1 7 . 1 1 18 18 ALA CA C 9 54.872 54.872 55.143 -0.271 18220 3160 1 7 . 1 1 18 18 ALA CB C 9 17.562 17.562 17.699 -0.137 18220 3161 1 7 . 1 1 18 18 ALA H H 9 7.843 7.843 8.304 -0.461 18220 3162 1 7 . 1 1 19 19 ALA N N 10 121.797 121.797 121.405 0.392 18220 3163 1 7 . 1 1 19 19 ALA HA H 10 3.950 3.950 4.246 -0.296 18220 3164 1 7 . 1 1 19 19 ALA C C 10 176.191 176.191 179.703 -3.512 18220 3165 1 7 . 1 1 19 19 ALA CA C 10 54.600 54.600 54.634 -0.034 18220 3166 1 7 . 1 1 19 19 ALA CB C 10 17.562 17.562 18.416 -0.854 18220 3167 1 7 . 1 1 19 19 ALA H H 10 8.212 8.212 7.906 0.306 18220 3168 1 7 . 1 1 20 20 LEU N N 11 119.442 119.442 121.278 -1.836 18220 3169 1 7 . 1 1 20 20 LEU HA H 11 3.937 3.937 4.129 -0.192 18220 3170 1 7 . 1 1 20 20 LEU C C 11 176.694 176.694 178.691 -1.997 18220 3171 1 7 . 1 1 20 20 LEU CA C 11 57.800 57.800 58.085 -0.285 18220 3172 1 7 . 1 1 20 20 LEU CB C 11 41.222 41.222 41.862 -0.640 18220 3173 1 7 . 1 1 20 20 LEU H H 11 8.065 8.065 7.977 0.088 18220 3174 1 7 . 1 1 21 21 VAL N N 12 118.323 118.323 118.252 0.071 18220 3175 1 7 . 1 1 21 21 VAL HA H 12 3.640 3.640 3.461 0.179 18220 3176 1 7 . 1 1 21 21 VAL C C 12 176.536 176.536 177.987 -1.451 18220 3177 1 7 . 1 1 21 21 VAL CA C 12 65.400 65.400 67.240 -1.840 18220 3178 1 7 . 1 1 21 21 VAL CB C 12 31.135 31.135 31.171 -0.036 18220 3179 1 7 . 1 1 21 21 VAL H H 12 8.051 8.051 8.218 -0.167 18220 3180 1 7 . 1 1 22 22 THR N N 13 118.298 118.298 117.124 1.174 18220 3181 1 7 . 1 1 22 22 THR HA H 13 4.660 4.660 3.921 0.739 18220 3182 1 7 . 1 1 22 22 THR C C 13 173.734 173.734 176.288 -2.554 18220 3183 1 7 . 1 1 22 22 THR CA C 13 66.300 66.300 67.859 -1.559 18220 3184 1 7 . 1 1 22 22 THR CB C 13 67.775 67.775 68.734 -0.959 18220 3185 1 7 . 1 1 22 22 THR H H 13 7.944 7.944 8.183 -0.239 18220 3186 1 7 . 1 1 23 23 PHE N N 14 121.328 121.328 120.861 0.467 18220 3187 1 7 . 1 1 23 23 PHE HA H 14 4.340 4.340 4.120 0.220 18220 3188 1 7 . 1 1 23 23 PHE C C 14 174.783 174.783 178.038 -3.255 18220 3189 1 7 . 1 1 23 23 PHE CA C 14 60.500 60.500 61.691 -1.191 18220 3190 1 7 . 1 1 23 23 PHE CB C 14 38.626 38.626 38.504 0.122 18220 3191 1 7 . 1 1 23 23 PHE H H 14 8.567 8.567 8.226 0.341 18220 3192 1 7 . 1 1 24 24 GLY N N 15 106.871 106.871 107.131 -0.260 18220 3193 1 7 . 1 1 24 24 GLY C C 15 172.858 172.858 176.131 -3.273 18220 3194 1 7 . 1 1 24 24 GLY CA C 15 46.900 46.900 47.463 -0.563 18220 3195 1 7 . 1 1 24 24 GLY H H 15 8.475 8.475 8.605 -0.130 18220 3196 1 7 . 1 1 25 25 SER N N 16 116.214 116.214 119.042 -2.828 18220 3197 1 7 . 1 1 25 25 SER HA H 16 4.280 4.280 4.028 0.252 18220 3198 1 7 . 1 1 25 25 SER CA C 16 60.300 60.300 62.160 -1.859 18220 3199 1 7 . 1 1 25 25 SER CB C 16 62.879 62.879 62.949 -0.070 18220 3200 1 7 . 1 1 25 25 SER H H 16 7.963 7.963 8.089 -0.126 18220 3201 1 7 . 1 1 26 26 ILE N N 17 121.024 121.024 122.036 -1.012 18220 3202 1 7 . 1 1 26 26 ILE HA H 17 3.946 3.946 3.806 0.140 18220 3203 1 7 . 1 1 26 26 ILE C C 17 173.935 173.935 178.919 -4.984 18220 3204 1 7 . 1 1 26 26 ILE CA C 17 63.100 63.100 65.013 -1.913 18220 3205 1 7 . 1 1 26 26 ILE CB C 17 38.107 38.107 37.852 0.255 18220 3206 1 7 . 1 1 26 26 ILE H H 17 7.676 7.676 8.103 -0.427 18220 3207 1 7 . 1 1 27 27 PHE N N 18 117.142 117.142 120.145 -3.003 18220 3208 1 7 . 1 1 27 27 PHE HA H 18 4.430 4.430 4.267 0.163 18220 3209 1 7 . 1 1 27 27 PHE C C 18 173.504 173.504 176.813 -3.309 18220 3210 1 7 . 1 1 27 27 PHE CA C 18 58.500 58.500 60.258 -1.758 18220 3211 1 7 . 1 1 27 27 PHE CB C 18 38.774 38.774 38.931 -0.157 18220 3212 1 7 . 1 1 27 27 PHE H H 18 7.703 7.703 8.456 -0.753 18220 3213 1 7 . 1 1 28 28 GLY N N 19 107.303 107.303 105.256 2.047 18220 3214 1 7 . 1 1 28 28 GLY C C 19 171.593 171.593 173.842 -2.249 18220 3215 1 7 . 1 1 28 28 GLY CA C 19 45.600 45.600 46.171 -0.571 18220 3216 1 7 . 1 1 28 28 GLY H H 19 7.722 7.722 7.768 -0.046 18220 3217 1 7 . 1 1 29 29 TYR N N 20 119.862 119.862 118.262 1.600 18220 3218 1 7 . 1 1 29 29 TYR HA H 20 4.392 4.392 4.410 -0.018 18220 3219 1 7 . 1 1 29 29 TYR C C 20 173.174 173.174 173.760 -0.586 18220 3220 1 7 . 1 1 29 29 TYR CA C 20 58.500 58.500 59.319 -0.819 18220 3221 1 7 . 1 1 29 29 TYR CB C 20 38.404 38.404 39.013 -0.609 18220 3222 1 7 . 1 1 29 29 TYR H H 20 7.880 7.880 7.917 -0.037 18220 3223 1 7 . 1 1 30 30 LYS N N 21 122.335 122.335 117.092 5.243 18220 3224 1 7 . 1 1 30 30 LYS HA H 21 4.390 4.390 4.234 0.156 18220 3225 1 7 . 1 1 30 30 LYS C C 21 173.547 173.547 176.138 -2.591 18220 3226 1 7 . 1 1 30 30 LYS CA C 21 55.800 55.800 56.721 -0.921 18220 3227 1 7 . 1 1 30 30 LYS CB C 21 32.396 32.396 33.862 -1.466 18220 3228 1 7 . 1 1 30 30 LYS H H 21 7.934 7.934 8.128 -0.194 18220 3229 1 7 . 1 1 31 31 ARG N N 22 120.612 120.612 118.264 2.348 18220 3230 1 7 . 1 1 31 31 ARG C C 22 173.547 173.547 174.922 -1.375 18220 3231 1 7 . 1 1 31 31 ARG CA C 22 55.834 55.834 56.624 -0.790 18220 3232 1 7 . 1 1 31 31 ARG CB C 22 30.101 30.101 31.887 -1.786 18220 3233 1 7 . 1 1 31 31 ARG H H 22 7.905 7.905 8.066 -0.161 18220 3234 1 7 . 1 1 32 32 ARG N N 23 121.748 121.748 120.351 1.397 18220 3235 1 7 . 1 1 32 32 ARG HA H 23 4.310 4.310 4.617 -0.307 18220 3236 1 7 . 1 1 32 32 ARG C C 23 173.863 173.863 174.192 -0.329 18220 3237 1 7 . 1 1 32 32 ARG CA C 23 55.800 55.800 56.553 -0.753 18220 3238 1 7 . 1 1 32 32 ARG CB C 23 30.245 30.245 31.282 -1.036 18220 3239 1 7 . 1 1 32 32 ARG H H 23 8.175 8.175 8.298 -0.123 18220 3240 1 7 . 1 1 33 33 GLY N N 24 109.528 109.528 112.672 -3.144 18220 3241 1 7 . 1 1 33 33 GLY C C 24 171.752 171.752 173.798 -2.046 18220 3242 1 7 . 1 1 33 33 GLY CA C 24 44.900 44.900 45.558 -0.658 18220 3243 1 7 . 1 1 33 33 GLY H H 24 8.264 8.264 8.551 -0.287 18220 3244 1 7 . 1 1 34 34 GLY N N 25 108.563 108.563 109.067 -0.504 18220 3245 1 7 . 1 1 34 34 GLY C C 25 171.701 171.701 174.270 -2.569 18220 3246 1 7 . 1 1 34 34 GLY CA C 25 44.600 44.600 44.749 -0.149 18220 3247 1 7 . 1 1 34 34 GLY H H 25 8.208 8.208 8.100 0.108 18220 3248 1 7 . 1 1 35 35 VAL N N 26 121.164 121.164 121.613 -0.449 18220 3249 1 7 . 1 1 35 35 VAL HA H 26 4.010 4.010 4.293 -0.283 18220 3250 1 7 . 1 1 35 35 VAL C C 26 175.888 175.888 173.959 1.929 18220 3251 1 7 . 1 1 35 35 VAL CA C 26 63.900 63.900 60.630 3.271 18220 3252 1 7 . 1 1 35 35 VAL CB C 26 30.690 30.690 32.853 -2.163 18220 3253 1 7 . 1 1 35 35 VAL H H 26 8.485 8.485 8.094 0.391 18220 3254 1 7 . 1 1 36 36 PRO C C 27 177.660 177.660 177.770 -0.110 18220 3255 1 7 . 1 1 36 36 PRO CA C 27 61.847 61.847 62.374 -0.527 18220 3256 1 7 . 1 1 37 37 SER N N 28 116.023 116.023 115.341 0.682 18220 3257 1 7 . 1 1 37 37 SER HA H 28 4.280 4.280 4.155 0.125 18220 3258 1 7 . 1 1 37 37 SER CA C 28 61.100 61.100 61.448 -0.348 18220 3259 1 7 . 1 1 37 37 SER H H 28 7.948 7.948 8.425 -0.477 18220 3260 1 7 . 1 1 38 38 LEU N N 29 124.029 124.029 123.161 0.868 18220 3261 1 7 . 1 1 38 38 LEU HA H 29 4.170 4.170 4.071 0.099 18220 3262 1 7 . 1 1 38 38 LEU C C 29 176.132 176.132 178.657 -2.525 18220 3263 1 7 . 1 1 38 38 LEU CA C 29 57.500 57.500 57.793 -0.293 18220 3264 1 7 . 1 1 38 38 LEU CB C 29 42.038 42.038 41.269 0.769 18220 3265 1 7 . 1 1 38 38 LEU H H 29 8.201 8.201 8.053 0.148 18220 3266 1 7 . 1 1 39 39 ILE N N 30 117.098 117.098 118.563 -1.465 18220 3267 1 7 . 1 1 39 39 ILE HA H 30 4.370 4.370 3.787 0.583 18220 3268 1 7 . 1 1 39 39 ILE C C 30 176.478 176.478 178.151 -1.673 18220 3269 1 7 . 1 1 39 39 ILE CA C 30 63.079 63.079 64.388 -1.310 18220 3270 1 7 . 1 1 39 39 ILE CB C 30 36.973 36.973 36.899 0.074 18220 3271 1 7 . 1 1 39 39 ILE H H 30 7.662 7.662 8.094 -0.432 18220 3272 1 7 . 1 1 40 40 ALA N N 31 122.447 122.447 121.950 0.497 18220 3273 1 7 . 1 1 40 40 ALA HA H 31 4.034 4.034 3.992 0.042 18220 3274 1 7 . 1 1 40 40 ALA C C 31 177.067 177.067 180.033 -2.966 18220 3275 1 7 . 1 1 40 40 ALA CA C 31 55.962 55.962 55.382 0.580 18220 3276 1 7 . 1 1 40 40 ALA CB C 31 17.856 17.856 17.690 0.166 18220 3277 1 7 . 1 1 40 40 ALA H H 31 8.096 8.096 7.718 0.378 18220 3278 1 7 . 1 1 41 41 GLY N N 32 104.056 104.056 106.620 -2.564 18220 3279 1 7 . 1 1 41 41 GLY C C 32 174.251 174.251 176.465 -2.214 18220 3280 1 7 . 1 1 41 41 GLY CA C 32 46.500 46.500 46.895 -0.395 18220 3281 1 7 . 1 1 41 41 GLY H H 32 8.123 8.123 8.176 -0.053 18220 3282 1 7 . 1 1 42 42 LEU N N 33 123.250 123.250 123.701 -0.451 18220 3283 1 7 . 1 1 42 42 LEU HA H 33 3.857 3.857 4.262 -0.405 18220 3284 1 7 . 1 1 42 42 LEU C C 33 176.033 176.033 179.202 -3.169 18220 3285 1 7 . 1 1 42 42 LEU CA C 33 56.668 56.668 57.324 -0.656 18220 3286 1 7 . 1 1 42 42 LEU CB C 33 41.721 41.721 41.130 0.591 18220 3287 1 7 . 1 1 42 42 LEU H H 33 7.914 7.914 8.095 -0.181 18220 3288 1 7 . 1 1 43 43 PHE N N 34 119.757 119.757 119.549 0.208 18220 3289 1 7 . 1 1 43 43 PHE HA H 34 4.200 4.200 4.083 0.117 18220 3290 1 7 . 1 1 43 43 PHE C C 34 174.374 174.374 178.180 -3.806 18220 3291 1 7 . 1 1 43 43 PHE CA C 34 59.876 59.876 62.901 -3.025 18220 3292 1 7 . 1 1 43 43 PHE CB C 34 38.834 38.834 38.541 0.293 18220 3293 1 7 . 1 1 43 43 PHE H H 34 8.287 8.287 8.935 -0.648 18220 3294 1 7 . 1 1 44 44 VAL N N 35 117.791 117.791 118.929 -1.138 18220 3295 1 7 . 1 1 44 44 VAL HA H 35 3.610 3.610 3.699 -0.089 18220 3296 1 7 . 1 1 44 44 VAL C C 35 176.205 176.205 178.190 -1.985 18220 3297 1 7 . 1 1 44 44 VAL CA C 35 64.559 64.559 66.313 -1.754 18220 3298 1 7 . 1 1 44 44 VAL CB C 35 31.432 31.432 31.365 0.067 18220 3299 1 7 . 1 1 44 44 VAL H H 35 8.235 8.235 8.389 -0.154 18220 3300 1 7 . 1 1 45 45 GLY N N 36 108.551 108.551 106.856 1.695 18220 3301 1 7 . 1 1 45 45 GLY C C 36 173.749 173.749 176.076 -2.327 18220 3302 1 7 . 1 1 45 45 GLY CA C 36 46.083 46.083 47.504 -1.421 18220 3303 1 7 . 1 1 45 45 GLY H H 36 8.178 8.178 8.327 -0.149 18220 3304 1 7 . 1 1 46 46 CYS N N 37 121.173 121.173 121.959 -0.786 18220 3305 1 7 . 1 1 46 46 CYS HA H 37 4.180 4.180 4.271 -0.091 18220 3306 1 7 . 1 1 46 46 CYS C C 37 173.710 173.710 176.739 -3.029 18220 3307 1 7 . 1 1 46 46 CYS CA C 37 63.000 63.000 61.901 1.099 18220 3308 1 7 . 1 1 46 46 CYS CB C 37 60.283 60.283 26.776 33.507 18220 3309 1 7 . 1 1 46 46 CYS H H 37 8.253 8.253 7.885 0.368 18220 3310 1 7 . 1 1 47 47 LEU N N 38 120.283 120.283 121.320 -1.037 18220 3311 1 7 . 1 1 47 47 LEU HA H 38 4.060 4.060 3.796 0.264 18220 3312 1 7 . 1 1 47 47 LEU C C 38 176.679 176.679 178.764 -2.085 18220 3313 1 7 . 1 1 47 47 LEU CA C 38 56.027 56.027 58.651 -2.624 18220 3314 1 7 . 1 1 47 47 LEU CB C 38 41.464 41.464 41.824 -0.360 18220 3315 1 7 . 1 1 47 47 LEU H H 38 7.965 7.965 8.189 -0.224 18220 3316 1 7 . 1 1 48 48 ALA N N 39 122.249 122.249 120.412 1.837 18220 3317 1 7 . 1 1 48 48 ALA HA H 39 4.142 4.142 3.991 0.151 18220 3318 1 7 . 1 1 48 48 ALA C C 39 177.915 177.915 179.629 -1.714 18220 3319 1 7 . 1 1 48 48 ALA CA C 39 53.717 53.717 55.537 -1.820 18220 3320 1 7 . 1 1 48 48 ALA CB C 39 17.985 17.985 17.969 0.016 18220 3321 1 7 . 1 1 48 48 ALA H H 39 8.066 8.066 8.368 -0.302 18220 3322 1 7 . 1 1 49 49 GLY N N 40 107.377 107.377 107.280 0.097 18220 3323 1 7 . 1 1 49 49 GLY C C 40 172.527 172.527 176.000 -3.473 18220 3324 1 7 . 1 1 49 49 GLY CA C 40 45.450 45.450 47.051 -1.601 18220 3325 1 7 . 1 1 49 49 GLY H H 40 8.172 8.172 8.109 0.063 18220 3326 1 7 . 1 1 50 50 TYR N N 41 122.409 122.409 123.763 -1.354 18220 3327 1 7 . 1 1 50 50 TYR HA H 41 3.799 3.799 4.066 -0.268 18220 3328 1 7 . 1 1 50 50 TYR C C 41 174.208 174.208 178.419 -4.211 18220 3329 1 7 . 1 1 50 50 TYR CA C 41 59.245 59.245 61.682 -2.437 18220 3330 1 7 . 1 1 50 50 TYR CB C 41 37.936 37.936 38.242 -0.306 18220 3331 1 7 . 1 1 50 50 TYR H H 41 7.800 7.800 8.597 -0.797 18220 3332 1 7 . 1 1 51 51 GLY N N 42 106.935 106.935 105.652 1.283 18220 3333 1 7 . 1 1 51 51 GLY C C 42 172.642 172.642 175.708 -3.066 18220 3334 1 7 . 1 1 51 51 GLY CA C 42 46.265 46.265 47.012 -0.747 18220 3335 1 7 . 1 1 51 51 GLY H H 42 8.199 8.199 8.391 -0.192 18220 3336 1 7 . 1 1 52 52 ALA N N 43 123.018 123.018 124.786 -1.768 18220 3337 1 7 . 1 1 52 52 ALA HA H 43 4.150 4.150 4.086 0.064 18220 3338 1 7 . 1 1 52 52 ALA C C 43 176.398 176.398 179.060 -2.662 18220 3339 1 7 . 1 1 52 52 ALA CA C 43 52.883 52.883 54.375 -1.492 18220 3340 1 7 . 1 1 52 52 ALA CB C 43 18.241 18.241 18.526 -0.285 18220 3341 1 7 . 1 1 52 52 ALA H H 43 7.758 7.758 7.986 -0.228 18220 3342 1 7 . 1 1 53 53 TYR N N 44 119.664 119.664 118.424 1.240 18220 3343 1 7 . 1 1 53 53 TYR HA H 44 4.318 4.318 4.319 -0.001 18220 3344 1 7 . 1 1 53 53 TYR C C 44 174.180 174.180 177.484 -3.304 18220 3345 1 7 . 1 1 53 53 TYR CA C 44 58.593 58.593 59.548 -0.955 18220 3346 1 7 . 1 1 53 53 TYR CB C 44 38.192 38.192 38.674 -0.482 18220 3347 1 7 . 1 1 53 53 TYR H H 44 7.920 7.920 8.014 -0.094 18220 3348 1 7 . 1 1 54 54 ARG N N 45 119.516 119.516 119.431 0.085 18220 3349 1 7 . 1 1 54 54 ARG HA H 45 3.930 3.930 4.111 -0.181 18220 3350 1 7 . 1 1 54 54 ARG C C 45 174.423 174.423 176.022 -1.599 18220 3351 1 7 . 1 1 54 54 ARG CA C 45 56.027 56.027 56.935 -0.909 18220 3352 1 7 . 1 1 54 54 ARG CB C 45 30.173 30.173 30.938 -0.765 18220 3353 1 7 . 1 1 54 54 ARG H H 45 7.956 7.956 7.850 0.106 18220 3354 1 7 . 1 1 55 55 VAL N N 46 116.437 116.437 117.887 -1.450 18220 3355 1 7 . 1 1 55 55 VAL HA H 46 4.060 4.060 3.757 0.303 18220 3356 1 7 . 1 1 55 55 VAL C C 46 173.806 173.806 175.217 -1.411 18220 3357 1 7 . 1 1 55 55 VAL CA C 46 62.300 62.300 63.358 -1.058 18220 3358 1 7 . 1 1 55 55 VAL CB C 46 31.521 31.521 30.381 1.141 18220 3359 1 7 . 1 1 55 55 VAL H H 46 7.489 7.489 8.162 -0.673 18220 3360 1 7 . 1 1 56 56 SER N N 47 117.185 117.185 116.448 0.737 18220 3361 1 7 . 1 1 56 56 SER HA H 47 4.401 4.401 4.543 -0.142 18220 3362 1 7 . 1 1 56 56 SER C C 47 172.074 172.074 174.006 -1.932 18220 3363 1 7 . 1 1 56 56 SER CA C 47 58.133 58.133 58.323 -0.190 18220 3364 1 7 . 1 1 56 56 SER CB C 47 63.468 63.468 64.046 -0.578 18220 3365 1 7 . 1 1 56 56 SER H H 47 7.728 7.728 8.825 -1.097 18220 3366 1 7 . 1 1 57 57 ASN N N 48 121.049 121.049 120.015 1.034 18220 3367 1 7 . 1 1 57 57 ASN HA H 48 4.590 4.590 4.779 -0.189 18220 3368 1 7 . 1 1 57 57 ASN CA C 48 53.600 53.600 52.268 1.332 18220 3369 1 7 . 1 1 57 57 ASN CB C 48 38.641 38.641 39.956 -1.315 18220 3370 1 7 . 1 1 57 57 ASN H H 48 8.228 8.228 7.713 0.515 18220 3371 1 7 . 1 1 58 58 ASP N N 49 120.276 120.276 118.752 1.524 18220 3372 1 7 . 1 1 58 58 ASP HA H 49 4.530 4.530 4.602 -0.072 18220 3373 1 7 . 1 1 58 58 ASP CA C 49 54.202 54.202 54.522 -0.320 18220 3374 1 7 . 1 1 58 58 ASP CB C 49 40.374 40.374 41.105 -0.731 18220 3375 1 7 . 1 1 58 58 ASP H H 49 8.192 8.192 8.307 -0.115 18220 3376 1 7 . 1 1 59 59 LYS N N 50 120.660 120.660 121.827 -1.167 18220 3377 1 7 . 1 1 59 59 LYS HA H 50 4.200 4.200 4.123 0.077 18220 3378 1 7 . 1 1 59 59 LYS C C 50 173.474 173.474 176.134 -2.660 18220 3379 1 7 . 1 1 59 59 LYS CA C 50 56.300 56.300 56.927 -0.627 18220 3380 1 7 . 1 1 59 59 LYS CB C 50 32.034 32.034 32.261 -0.227 18220 3381 1 7 . 1 1 59 59 LYS H H 50 8.003 8.003 7.793 0.210 18220 3382 1 7 . 1 1 60 60 ARG N N 51 121.278 121.278 123.072 -1.794 18220 3383 1 7 . 1 1 60 60 ARG HA H 51 4.200 4.200 4.397 -0.197 18220 3384 1 7 . 1 1 60 60 ARG C C 51 173.303 173.303 174.244 -0.941 18220 3385 1 7 . 1 1 60 60 ARG CA C 51 56.283 56.283 56.527 -0.244 18220 3386 1 7 . 1 1 60 60 ARG CB C 51 30.238 30.238 31.235 -0.997 18220 3387 1 7 . 1 1 60 60 ARG H H 51 8.091 8.091 8.351 -0.260 18220 3388 1 7 . 1 1 61 61 ASP N N 52 121.185 121.185 121.927 -0.742 18220 3389 1 7 . 1 1 61 61 ASP HA H 52 4.615 4.615 4.600 0.015 18220 3390 1 7 . 1 1 61 61 ASP C C 52 173.777 173.777 175.032 -1.255 18220 3391 1 7 . 1 1 61 61 ASP CA C 52 53.979 53.979 54.492 -0.513 18220 3392 1 7 . 1 1 61 61 ASP CB C 52 40.245 40.245 41.121 -0.876 18220 3393 1 7 . 1 1 61 61 ASP H H 52 8.261 8.261 8.238 0.023 18220 3394 1 7 . 1 1 62 62 VAL N N 53 121.902 121.902 118.447 3.455 18220 3395 1 7 . 1 1 62 62 VAL HA H 53 3.950 3.950 3.645 0.305 18220 3396 1 7 . 1 1 62 62 VAL C C 53 173.279 173.279 175.667 -2.388 18220 3397 1 7 . 1 1 62 62 VAL CA C 53 63.176 63.176 63.185 -0.009 18220 3398 1 7 . 1 1 62 62 VAL CB C 53 32.099 32.099 30.930 1.169 18220 3399 1 7 . 1 1 62 62 VAL H H 53 7.997 7.997 8.092 -0.095 18220 3400 1 7 . 1 1 63 63 LYS N N 54 123.522 123.522 120.615 2.907 18220 3401 1 7 . 1 1 63 63 LYS HA H 54 4.260 4.260 4.229 0.031 18220 3402 1 7 . 1 1 63 63 LYS C C 54 174.481 174.481 177.842 -3.361 18220 3403 1 7 . 1 1 63 63 LYS CA C 54 56.347 56.347 58.613 -2.266 18220 3404 1 7 . 1 1 63 63 LYS CB C 54 32.099 32.099 32.763 -0.664 18220 3405 1 7 . 1 1 63 63 LYS H H 54 8.054 8.054 8.147 -0.093 18220 3406 1 7 . 1 1 64 64 VAL N N 55 120.647 120.647 121.194 -0.547 18220 3407 1 7 . 1 1 64 64 VAL HA H 55 3.947 3.947 3.672 0.275 18220 3408 1 7 . 1 1 64 64 VAL C C 55 174.955 174.955 178.176 -3.221 18220 3409 1 7 . 1 1 64 64 VAL CA C 55 64.600 64.600 66.042 -1.442 18220 3410 1 7 . 1 1 64 64 VAL CB C 55 31.877 31.877 30.826 1.050 18220 3411 1 7 . 1 1 64 64 VAL H H 55 8.225 8.225 8.195 0.030 18220 3412 1 7 . 1 1 65 65 SER N N 56 117.785 117.785 114.377 3.408 18220 3413 1 7 . 1 1 65 65 SER HA H 56 4.390 4.390 4.233 0.157 18220 3414 1 7 . 1 1 65 65 SER C C 56 172.300 172.300 177.421 -5.121 18220 3415 1 7 . 1 1 65 65 SER CA C 56 60.000 60.000 62.322 -2.322 18220 3416 1 7 . 1 1 65 65 SER CB C 56 62.879 62.879 62.713 0.166 18220 3417 1 7 . 1 1 65 65 SER H H 56 8.260 8.260 8.388 -0.128 18220 3418 1 7 . 1 1 66 66 LEU N N 57 123.318 123.318 121.858 1.460 18220 3419 1 7 . 1 1 66 66 LEU HA H 57 4.090 4.090 4.136 -0.046 18220 3420 1 7 . 1 1 66 66 LEU C C 57 175.932 175.932 178.757 -2.825 18220 3421 1 7 . 1 1 66 66 LEU CA C 57 57.502 57.502 57.975 -0.473 18220 3422 1 7 . 1 1 66 66 LEU CB C 57 41.721 41.721 41.935 -0.214 18220 3423 1 7 . 1 1 66 66 LEU H H 57 8.091 8.091 7.984 0.107 18220 3424 1 7 . 1 1 67 67 PHE N N 58 118.020 118.020 118.704 -0.684 18220 3425 1 7 . 1 1 67 67 PHE HA H 58 4.330 4.330 4.331 -0.001 18220 3426 1 7 . 1 1 67 67 PHE C C 58 174.912 174.912 177.443 -2.531 18220 3427 1 7 . 1 1 67 67 PHE CA C 58 60.600 60.600 61.838 -1.238 18220 3428 1 7 . 1 1 67 67 PHE CB C 58 38.552 38.552 38.936 -0.384 18220 3429 1 7 . 1 1 67 67 PHE H H 58 8.066 8.066 7.769 0.297 18220 3430 1 7 . 1 1 68 68 THR N N 59 115.324 115.324 115.183 0.141 18220 3431 1 7 . 1 1 68 68 THR HA H 59 4.310 4.310 4.204 0.106 18220 3432 1 7 . 1 1 68 68 THR C C 59 173.380 173.380 176.728 -3.348 18220 3433 1 7 . 1 1 68 68 THR CA C 59 66.313 66.313 65.603 0.710 18220 3434 1 7 . 1 1 68 68 THR CB C 59 67.700 67.700 68.293 -0.593 18220 3435 1 7 . 1 1 68 68 THR H H 59 8.287 8.287 8.408 -0.121 18220 3436 1 7 . 1 1 69 69 ALA N N 60 123.621 123.621 124.624 -1.003 18220 3437 1 7 . 1 1 69 69 ALA HA H 60 4.280 4.280 4.200 0.080 18220 3438 1 7 . 1 1 69 69 ALA C C 60 176.978 176.978 179.387 -2.409 18220 3439 1 7 . 1 1 69 69 ALA CA C 60 55.100 55.100 54.952 0.148 18220 3440 1 7 . 1 1 69 69 ALA CB C 60 17.728 17.728 18.012 -0.284 18220 3441 1 7 . 1 1 69 69 ALA H H 60 7.983 7.983 8.460 -0.477 18220 3442 1 7 . 1 1 70 70 PHE N N 61 118.520 118.520 120.458 -1.938 18220 3443 1 7 . 1 1 70 70 PHE HA H 61 4.260 4.260 4.127 0.133 18220 3444 1 7 . 1 1 70 70 PHE C C 61 175.369 175.369 176.716 -1.347 18220 3445 1 7 . 1 1 70 70 PHE CA C 61 60.179 60.179 61.379 -1.200 18220 3446 1 7 . 1 1 70 70 PHE CB C 61 38.706 38.706 39.287 -0.581 18220 3447 1 7 . 1 1 70 70 PHE H H 61 8.007 8.007 8.363 -0.356 18220 3448 1 7 . 1 1 71 71 PHE N N 62 122.314 122.314 119.647 2.667 18220 3449 1 7 . 1 1 71 71 PHE HA H 62 4.000 4.000 4.267 -0.267 18220 3450 1 7 . 1 1 71 71 PHE C C 62 174.697 174.697 177.722 -3.025 18220 3451 1 7 . 1 1 71 71 PHE CA C 62 60.517 60.517 61.333 -0.816 18220 3452 1 7 . 1 1 71 71 PHE CB C 62 38.770 38.770 39.019 -0.249 18220 3453 1 7 . 1 1 71 71 PHE H H 62 8.546 8.546 8.428 0.118 18220 3454 1 7 . 1 1 72 72 LEU N N 63 119.399 119.399 120.515 -1.116 18220 3455 1 7 . 1 1 72 72 LEU HA H 63 3.870 3.870 3.926 -0.056 18220 3456 1 7 . 1 1 72 72 LEU C C 63 175.774 175.774 178.234 -2.460 18220 3457 1 7 . 1 1 72 72 LEU CA C 63 56.925 56.925 58.316 -1.391 18220 3458 1 7 . 1 1 72 72 LEU CB C 63 41.207 41.207 41.806 -0.599 18220 3459 1 7 . 1 1 72 72 LEU H H 63 8.396 8.396 8.554 -0.158 18220 3460 1 7 . 1 1 73 73 ALA N N 64 120.221 120.221 121.231 -1.010 18220 3461 1 7 . 1 1 73 73 ALA HA H 64 3.960 3.960 3.812 0.148 18220 3462 1 7 . 1 1 73 73 ALA C C 64 177.267 177.267 179.422 -2.155 18220 3463 1 7 . 1 1 73 73 ALA CA C 64 54.600 54.600 55.240 -0.641 18220 3464 1 7 . 1 1 73 73 ALA CB C 64 17.784 17.784 17.919 -0.135 18220 3465 1 7 . 1 1 73 73 ALA H H 64 8.025 8.025 8.155 -0.130 18220 3466 1 7 . 1 1 74 74 THR N N 65 113.648 113.648 113.913 -0.265 18220 3467 1 7 . 1 1 74 74 THR HA H 65 3.980 3.980 3.896 0.084 18220 3468 1 7 . 1 1 74 74 THR CA C 65 66.291 66.291 65.961 0.330 18220 3469 1 7 . 1 1 74 74 THR CB C 65 67.914 67.914 68.551 -0.637 18220 3470 1 7 . 1 1 74 74 THR H H 65 7.717 7.717 7.883 -0.166 18220 3471 1 7 . 1 1 75 75 ILE N N 66 120.291 120.291 119.917 0.374 18220 3472 1 7 . 1 1 75 75 ILE HA H 66 3.740 3.740 3.918 -0.178 18220 3473 1 7 . 1 1 75 75 ILE C C 66 174.951 174.951 177.446 -2.495 18220 3474 1 7 . 1 1 75 75 ILE CA C 66 64.880 64.880 63.408 1.472 18220 3475 1 7 . 1 1 75 75 ILE CB C 66 37.166 37.166 37.997 -0.831 18220 3476 1 7 . 1 1 75 75 ILE H H 66 7.738 7.738 7.809 -0.071 18220 3477 1 7 . 1 1 76 76 MET N N 67 117.618 117.618 114.499 3.119 18220 3478 1 7 . 1 1 76 76 MET HA H 67 4.220 4.220 4.646 -0.426 18220 3479 1 7 . 1 1 76 76 MET C C 67 175.142 175.142 176.662 -1.520 18220 3480 1 7 . 1 1 76 76 MET CA C 67 56.723 56.723 56.620 0.103 18220 3481 1 7 . 1 1 76 76 MET CB C 67 31.951 31.951 34.119 -2.168 18220 3482 1 7 . 1 1 76 76 MET H H 67 7.823 7.823 8.072 -0.249 18220 3483 1 7 . 1 1 77 77 GLY N N 68 107.110 107.110 107.036 0.074 18220 3484 1 7 . 1 1 77 77 GLY C C 68 172.260 172.260 172.354 -0.094 18220 3485 1 7 . 1 1 77 77 GLY CA C 68 45.800 45.800 45.429 0.371 18220 3486 1 7 . 1 1 77 77 GLY H H 68 7.937 7.937 8.294 -0.357 18220 3487 1 7 . 1 1 78 78 VAL N N 69 120.431 120.431 119.899 0.532 18220 3488 1 7 . 1 1 78 78 VAL HA H 69 4.220 4.220 3.931 0.289 18220 3489 1 7 . 1 1 78 78 VAL CA C 69 63.900 63.900 62.250 1.650 18220 3490 1 7 . 1 1 78 78 VAL CB C 69 31.506 31.506 31.348 0.158 18220 3491 1 7 . 1 1 78 78 VAL H H 69 7.697 7.697 7.689 0.008 18220 3492 1 7 . 1 1 79 79 ARG N N 70 121.420 121.420 121.053 0.367 18220 3493 1 7 . 1 1 79 79 ARG HA H 70 3.810 3.810 4.009 -0.199 18220 3494 1 7 . 1 1 79 79 ARG CA C 70 56.400 56.400 56.729 -0.329 18220 3495 1 7 . 1 1 79 79 ARG CB C 70 30.097 30.097 29.705 0.392 18220 3496 1 7 . 1 1 79 79 ARG H H 70 7.889 7.889 8.106 -0.217 18220 3497 1 7 . 1 1 80 80 PHE N N 71 119.949 119.949 122.547 -2.598 18220 3498 1 7 . 1 1 80 80 PHE HA H 71 4.510 4.510 4.363 0.147 18220 3499 1 7 . 1 1 80 80 PHE CA C 71 58.600 58.600 58.580 0.020 18220 3500 1 7 . 1 1 80 80 PHE CB C 71 39.145 39.145 39.318 -0.173 18220 3501 1 7 . 1 1 80 80 PHE H H 71 8.101 8.101 8.254 -0.153 18220 3502 1 7 . 1 1 81 81 LYS N N 72 122.193 122.193 118.972 3.221 18220 3503 1 7 . 1 1 81 81 LYS CA C 72 56.800 56.800 57.212 -0.412 18220 3504 1 7 . 1 1 81 81 LYS CB C 72 32.322 32.322 31.476 0.846 18220 3505 1 7 . 1 1 81 81 LYS H H 72 8.090 8.090 8.547 -0.457 18220 3506 1 7 . 1 1 82 82 ARG N N 73 119.650 119.650 120.009 -0.359 18220 3507 1 7 . 1 1 82 82 ARG CA C 73 56.089 56.089 55.769 0.320 18220 3508 1 7 . 1 1 82 82 ARG CB C 73 30.171 30.171 30.869 -0.698 18220 3509 1 7 . 1 1 82 82 ARG H H 73 8.052 8.052 8.316 -0.264 18220 3510 1 7 . 1 1 83 83 SER N N 74 115.734 115.734 117.375 -1.641 18220 3511 1 7 . 1 1 83 83 SER CA C 74 58.355 58.355 57.758 0.598 18220 3512 1 7 . 1 1 83 83 SER CB C 74 63.404 63.404 64.863 -1.459 18220 3513 1 7 . 1 1 83 83 SER H H 74 7.912 7.912 7.789 0.123 18220 3514 1 7 . 1 1 84 84 LYS N N 75 122.370 122.370 119.077 3.293 18220 3515 1 7 . 1 1 84 84 LYS CA C 75 56.135 56.135 56.126 0.009 18220 3516 1 7 . 1 1 84 84 LYS CB C 75 32.175 32.175 34.088 -1.913 18220 3517 1 7 . 1 1 84 84 LYS H H 75 8.067 8.067 8.325 -0.258 18220 3518 1 7 . 1 1 86 86 ILE N N 77 119.592 119.592 120.659 -1.067 18220 3519 1 7 . 1 1 86 86 ILE HA H 77 3.810 3.810 4.203 -0.393 18220 3520 1 7 . 1 1 86 86 ILE CA C 77 64.900 64.900 62.111 2.789 18220 3521 1 7 . 1 1 86 86 ILE CB C 77 39.145 39.145 38.325 0.820 18220 3522 1 7 . 1 1 86 86 ILE H H 77 7.837 7.837 7.806 0.031 18220 3523 1 7 . 1 1 87 87 MET N N 78 121.645 121.645 120.689 0.956 18220 3524 1 7 . 1 1 87 87 MET CA C 78 52.982 52.982 56.772 -3.790 18220 3525 1 7 . 1 1 87 87 MET CB C 78 32.173 32.173 31.119 1.054 18220 3526 1 7 . 1 1 87 87 MET H H 78 7.950 7.950 8.113 -0.163 18220 3527 1 7 . 1 1 88 88 PRO HA H 79 4.140 4.140 4.551 -0.411 18220 3528 1 7 . 1 1 88 88 PRO C C 79 173.921 173.921 178.101 -4.180 18220 3529 1 7 . 1 1 88 88 PRO CA C 79 62.800 62.800 65.428 -2.628 18220 3530 1 7 . 1 1 88 88 PRO CB C 79 31.136 31.136 31.765 -0.629 18220 3531 1 7 . 1 1 89 89 ALA N N 80 124.431 124.431 121.636 2.795 18220 3532 1 7 . 1 1 89 89 ALA HA H 80 4.400 4.400 4.159 0.241 18220 3533 1 7 . 1 1 89 89 ALA C C 80 176.234 176.234 179.884 -3.650 18220 3534 1 7 . 1 1 89 89 ALA CA C 80 53.300 53.300 54.784 -1.484 18220 3535 1 7 . 1 1 89 89 ALA CB C 80 18.498 18.498 18.202 0.296 18220 3536 1 7 . 1 1 89 89 ALA H H 80 8.320 8.320 8.405 -0.085 18220 3537 1 7 . 1 1 90 90 GLY N N 81 106.834 106.834 107.109 -0.275 18220 3538 1 7 . 1 1 90 90 GLY C C 81 172.398 172.398 176.432 -4.034 18220 3539 1 7 . 1 1 90 90 GLY CA C 81 45.600 45.600 47.030 -1.430 18220 3540 1 7 . 1 1 90 90 GLY H H 81 8.458 8.458 8.625 -0.167 18220 3541 1 7 . 1 1 91 91 LEU N N 82 121.043 121.043 121.946 -0.903 18220 3542 1 7 . 1 1 91 91 LEU HA H 82 4.200 4.200 3.946 0.254 18220 3543 1 7 . 1 1 91 91 LEU C C 82 174.783 174.783 178.784 -4.001 18220 3544 1 7 . 1 1 91 91 LEU CA C 82 56.300 56.300 57.485 -1.185 18220 3545 1 7 . 1 1 91 91 LEU CB C 82 42.106 42.106 41.928 0.178 18220 3546 1 7 . 1 1 91 91 LEU H H 82 7.687 7.687 7.469 0.218 18220 3547 1 7 . 1 1 92 92 VAL N N 83 114.737 114.737 118.522 -3.785 18220 3548 1 7 . 1 1 92 92 VAL HA H 83 3.980 3.980 3.568 0.412 18220 3549 1 7 . 1 1 92 92 VAL C C 83 173.634 173.634 177.832 -4.198 18220 3550 1 7 . 1 1 92 92 VAL CA C 83 62.400 62.400 66.134 -3.734 18220 3551 1 7 . 1 1 92 92 VAL CB C 83 31.585 31.585 31.200 0.385 18220 3552 1 7 . 1 1 92 92 VAL H H 83 7.602 7.602 7.857 -0.255 18220 3553 1 7 . 1 1 93 93 ALA N N 84 124.320 124.320 121.535 2.785 18220 3554 1 7 . 1 1 93 93 ALA HA H 84 4.150 4.150 4.171 -0.021 18220 3555 1 7 . 1 1 93 93 ALA C C 84 175.746 175.746 179.746 -4.000 18220 3556 1 7 . 1 1 93 93 ALA CA C 84 53.300 53.300 55.159 -1.859 18220 3557 1 7 . 1 1 93 93 ALA CB C 84 18.241 18.241 18.072 0.169 18220 3558 1 7 . 1 1 93 93 ALA H H 84 7.891 7.891 8.235 -0.344 18220 3559 1 7 . 1 1 94 94 GLY N N 85 106.807 106.807 108.180 -1.373 18220 3560 1 7 . 1 1 94 94 GLY C C 85 171.752 171.752 176.091 -4.339 18220 3561 1 7 . 1 1 94 94 GLY CA C 85 45.249 45.249 46.847 -1.598 18220 3562 1 7 . 1 1 94 94 GLY H H 85 8.204 8.204 8.107 0.097 18220 3563 1 7 . 1 1 95 95 LEU N N 86 121.266 121.266 122.082 -0.816 18220 3564 1 7 . 1 1 95 95 LEU HA H 86 4.380 4.380 3.921 0.459 18220 3565 1 7 . 1 1 95 95 LEU C C 86 173.702 173.702 179.242 -5.540 18220 3566 1 7 . 1 1 95 95 LEU CA C 86 55.000 55.000 58.408 -3.409 18220 3567 1 7 . 1 1 95 95 LEU CB C 86 42.298 42.298 41.622 0.676 18220 3568 1 7 . 1 1 95 95 LEU H H 86 7.718 7.718 8.524 -0.806 18220 3569 1 7 . 1 1 96 96 SER N N 87 115.658 115.658 115.487 0.171 18220 3570 1 7 . 1 1 96 96 SER HA H 87 4.370 4.370 4.152 0.218 18220 3571 1 7 . 1 1 96 96 SER C C 87 172.479 172.479 176.677 -4.198 18220 3572 1 7 . 1 1 96 96 SER CA C 87 57.200 57.200 62.021 -4.821 18220 3573 1 7 . 1 1 96 96 SER CB C 87 64.174 64.174 63.227 0.947 18220 3574 1 7 . 1 1 96 96 SER H H 87 7.659 7.659 8.107 -0.448 18220 3575 1 7 . 1 1 97 97 LEU N N 88 123.720 123.720 122.917 0.803 18220 3576 1 7 . 1 1 97 97 LEU HA H 88 4.600 4.600 4.006 0.594 18220 3577 1 7 . 1 1 97 97 LEU C C 88 175.932 175.932 178.939 -3.007 18220 3578 1 7 . 1 1 97 97 LEU CA C 88 57.600 57.600 58.025 -0.425 18220 3579 1 7 . 1 1 97 97 LEU CB C 88 41.400 41.400 41.334 0.066 18220 3580 1 7 . 1 1 97 97 LEU H H 88 8.733 8.733 8.090 0.643 18220 3581 1 7 . 1 1 98 98 MET N N 89 116.684 116.684 117.666 -0.982 18220 3582 1 7 . 1 1 98 98 MET HA H 89 4.280 4.280 3.965 0.315 18220 3583 1 7 . 1 1 98 98 MET C C 89 175.789 175.789 178.706 -2.917 18220 3584 1 7 . 1 1 98 98 MET CA C 89 56.915 56.915 59.530 -2.615 18220 3585 1 7 . 1 1 98 98 MET CB C 89 31.007 31.007 32.483 -1.476 18220 3586 1 7 . 1 1 98 98 MET H H 89 8.342 8.342 8.072 0.270 18220 3587 1 7 . 1 1 99 99 MET N N 90 119.182 119.182 120.320 -1.138 18220 3588 1 7 . 1 1 99 99 MET HA H 90 4.110 4.110 4.028 0.082 18220 3589 1 7 . 1 1 99 99 MET C C 90 175.588 175.588 178.567 -2.979 18220 3590 1 7 . 1 1 99 99 MET CA C 90 57.951 57.951 59.309 -1.358 18220 3591 1 7 . 1 1 99 99 MET CB C 90 32.226 32.226 32.620 -0.394 18220 3592 1 7 . 1 1 99 99 MET H H 90 7.720 7.720 8.104 -0.384 18220 3593 1 7 . 1 1 100 100 ILE N N 91 119.077 119.077 119.529 -0.452 18220 3594 1 7 . 1 1 100 100 ILE HA H 91 4.110 4.110 3.685 0.425 18220 3595 1 7 . 1 1 100 100 ILE C C 91 174.634 174.634 178.337 -3.703 18220 3596 1 7 . 1 1 100 100 ILE CA C 91 64.100 64.100 63.960 0.140 18220 3597 1 7 . 1 1 100 100 ILE CB C 91 37.143 37.143 36.467 0.676 18220 3598 1 7 . 1 1 100 100 ILE H H 91 7.662 7.662 8.170 -0.508 18220 3599 1 7 . 1 1 101 101 LEU N N 92 119.646 119.646 119.439 0.207 18220 3600 1 7 . 1 1 101 101 LEU HA H 92 4.530 4.530 3.905 0.625 18220 3601 1 7 . 1 1 101 101 LEU C C 92 175.430 175.430 179.314 -3.884 18220 3602 1 7 . 1 1 101 101 LEU CA C 92 57.800 57.800 58.464 -0.664 18220 3603 1 7 . 1 1 101 101 LEU CB C 92 40.758 40.758 41.816 -1.058 18220 3604 1 7 . 1 1 101 101 LEU H H 92 8.142 8.142 8.226 -0.084 18220 3605 1 7 . 1 1 102 102 ARG N N 93 116.394 116.394 118.888 -2.494 18220 3606 1 7 . 1 1 102 102 ARG HA H 93 4.140 4.140 4.083 0.057 18220 3607 1 7 . 1 1 102 102 ARG C C 93 175.961 175.961 178.591 -2.630 18220 3608 1 7 . 1 1 102 102 ARG CA C 93 59.100 59.100 59.068 0.032 18220 3609 1 7 . 1 1 102 102 ARG CB C 93 29.404 29.404 30.031 -0.627 18220 3610 1 7 . 1 1 102 102 ARG H H 93 7.893 7.893 7.920 -0.027 18220 3611 1 7 . 1 1 103 103 LEU N N 94 119.114 119.114 121.403 -2.289 18220 3612 1 7 . 1 1 103 103 LEU HA H 94 4.110 4.110 3.965 0.145 18220 3613 1 7 . 1 1 103 103 LEU C C 94 175.889 175.889 178.752 -2.863 18220 3614 1 7 . 1 1 103 103 LEU CA C 94 57.300 57.300 58.614 -1.314 18220 3615 1 7 . 1 1 103 103 LEU CB C 94 41.296 41.296 41.811 -0.515 18220 3616 1 7 . 1 1 103 103 LEU H H 94 7.622 7.622 8.063 -0.441 18220 3617 1 7 . 1 1 104 104 VAL N N 95 117.704 117.704 118.621 -0.917 18220 3618 1 7 . 1 1 104 104 VAL HA H 95 3.530 3.530 3.541 -0.011 18220 3619 1 7 . 1 1 104 104 VAL C C 95 175.042 175.042 178.169 -3.127 18220 3620 1 7 . 1 1 104 104 VAL CA C 95 66.419 66.419 66.833 -0.414 18220 3621 1 7 . 1 1 104 104 VAL CB C 95 31.357 31.357 31.478 -0.121 18220 3622 1 7 . 1 1 104 104 VAL H H 95 8.026 8.026 7.576 0.450 18220 3623 1 7 . 1 1 105 105 LEU N N 96 117.185 117.185 119.574 -2.389 18220 3624 1 7 . 1 1 105 105 LEU HA H 96 3.980 3.980 3.915 0.065 18220 3625 1 7 . 1 1 105 105 LEU C C 96 176.579 176.579 178.614 -2.035 18220 3626 1 7 . 1 1 105 105 LEU CA C 96 56.800 56.800 58.195 -1.395 18220 3627 1 7 . 1 1 105 105 LEU CB C 96 40.951 40.951 41.969 -1.018 18220 3628 1 7 . 1 1 105 105 LEU H H 96 7.893 7.893 7.380 0.513 18220 3629 1 7 . 1 1 106 106 LEU N N 97 118.471 118.471 119.708 -1.237 18220 3630 1 7 . 1 1 106 106 LEU HA H 97 4.180 4.180 3.894 0.286 18220 3631 1 7 . 1 1 106 106 LEU C C 97 175.802 175.802 178.511 -2.709 18220 3632 1 7 . 1 1 106 106 LEU CA C 97 56.300 56.300 57.878 -1.578 18220 3633 1 7 . 1 1 106 106 LEU CB C 97 41.592 41.592 42.014 -0.422 18220 3634 1 7 . 1 1 106 106 LEU H H 97 7.545 7.545 8.304 -0.759 18220 3635 1 7 . 1 1 107 107 LEU N N 98 118.162 118.162 118.824 -0.662 18220 3636 1 7 . 1 1 107 107 LEU HA H 98 4.230 4.230 4.164 0.066 18220 3637 1 7 . 1 1 107 107 LEU C C 98 174.174 174.174 177.850 -3.676 18220 3638 1 7 . 1 1 107 107 LEU CA C 98 56.283 56.283 56.109 0.174 18220 3639 1 7 . 1 1 107 107 LEU CB C 98 42.362 42.362 42.221 0.141 18220 3640 1 7 . 1 1 107 107 LEU H H 98 7.688 7.688 8.025 -0.337 18220 3641 1 8 . 1 1 11 11 ASP N N 2 120.536 120.536 122.053 -1.517 18220 3642 1 8 . 1 1 11 11 ASP CA C 2 55.918 55.918 54.444 1.474 18220 3643 1 8 . 1 1 11 11 ASP CB C 2 37.959 37.959 41.478 -3.519 18220 3644 1 8 . 1 1 11 11 ASP H H 2 7.863 7.863 8.247 -0.384 18220 3645 1 8 . 1 1 12 12 LEU N N 3 121.414 121.414 122.682 -1.268 18220 3646 1 8 . 1 1 12 12 LEU C C 3 176.162 176.162 176.139 0.023 18220 3647 1 8 . 1 1 12 12 LEU CA C 3 57.600 57.600 55.373 2.227 18220 3648 1 8 . 1 1 12 12 LEU CB C 3 41.657 41.657 42.835 -1.178 18220 3649 1 8 . 1 1 12 12 LEU H H 3 8.285 8.285 8.031 0.254 18220 3650 1 8 . 1 1 13 13 ILE N N 4 118.854 118.854 118.194 0.660 18220 3651 1 8 . 1 1 13 13 ILE HA H 4 3.740 3.740 4.210 -0.470 18220 3652 1 8 . 1 1 13 13 ILE C C 4 175.228 175.228 174.700 0.528 18220 3653 1 8 . 1 1 13 13 ILE CA C 4 64.500 64.500 61.358 3.142 18220 3654 1 8 . 1 1 13 13 ILE CB C 4 37.102 37.102 39.141 -2.039 18220 3655 1 8 . 1 1 13 13 ILE H H 4 8.031 8.031 7.698 0.333 18220 3656 1 8 . 1 1 14 14 GLY N N 5 107.478 107.478 107.935 -0.457 18220 3657 1 8 . 1 1 14 14 GLY C C 5 174.424 174.424 173.505 0.919 18220 3658 1 8 . 1 1 14 14 GLY CA C 5 47.059 47.059 44.972 2.087 18220 3659 1 8 . 1 1 14 14 GLY H H 5 8.148 8.148 7.759 0.389 18220 3660 1 8 . 1 1 15 15 PHE N N 6 122.774 122.774 121.271 1.503 18220 3661 1 8 . 1 1 15 15 PHE HA H 6 4.480 4.480 4.574 -0.094 18220 3662 1 8 . 1 1 15 15 PHE C C 6 175.113 175.113 177.258 -2.145 18220 3663 1 8 . 1 1 15 15 PHE CA C 6 60.017 60.017 59.598 0.419 18220 3664 1 8 . 1 1 15 15 PHE CB C 6 38.774 38.774 39.734 -0.960 18220 3665 1 8 . 1 1 15 15 PHE H H 6 8.194 8.194 8.770 -0.576 18220 3666 1 8 . 1 1 16 16 GLY N N 7 107.938 107.938 108.144 -0.206 18220 3667 1 8 . 1 1 16 16 GLY C C 7 171.838 171.838 175.901 -4.063 18220 3668 1 8 . 1 1 16 16 GLY CA C 7 47.100 47.100 47.621 -0.521 18220 3669 1 8 . 1 1 16 16 GLY H H 7 8.697 8.697 8.568 0.129 18220 3670 1 8 . 1 1 17 17 TYR N N 8 121.785 121.785 122.319 -0.534 18220 3671 1 8 . 1 1 17 17 TYR HA H 8 4.150 4.150 4.135 0.015 18220 3672 1 8 . 1 1 17 17 TYR C C 8 174.180 174.180 178.046 -3.866 18220 3673 1 8 . 1 1 17 17 TYR CA C 8 61.300 61.300 61.122 0.178 18220 3674 1 8 . 1 1 17 17 TYR CB C 8 37.959 37.959 37.978 -0.019 18220 3675 1 8 . 1 1 17 17 TYR H H 8 8.710 8.710 8.298 0.412 18220 3676 1 8 . 1 1 18 18 ALA N N 9 120.233 120.233 120.486 -0.253 18220 3677 1 8 . 1 1 18 18 ALA HA H 9 3.950 3.950 3.926 0.024 18220 3678 1 8 . 1 1 18 18 ALA C C 9 178.059 178.059 179.014 -0.955 18220 3679 1 8 . 1 1 18 18 ALA CA C 9 54.872 54.872 55.098 -0.226 18220 3680 1 8 . 1 1 18 18 ALA CB C 9 17.562 17.562 17.721 -0.159 18220 3681 1 8 . 1 1 18 18 ALA H H 9 7.843 7.843 8.264 -0.421 18220 3682 1 8 . 1 1 19 19 ALA N N 10 121.797 121.797 121.409 0.388 18220 3683 1 8 . 1 1 19 19 ALA HA H 10 3.950 3.950 4.223 -0.273 18220 3684 1 8 . 1 1 19 19 ALA C C 10 176.191 176.191 179.636 -3.445 18220 3685 1 8 . 1 1 19 19 ALA CA C 10 54.600 54.600 54.567 0.033 18220 3686 1 8 . 1 1 19 19 ALA CB C 10 17.562 17.562 18.267 -0.705 18220 3687 1 8 . 1 1 19 19 ALA H H 10 8.212 8.212 7.825 0.387 18220 3688 1 8 . 1 1 20 20 LEU N N 11 119.442 119.442 120.686 -1.244 18220 3689 1 8 . 1 1 20 20 LEU HA H 11 3.937 3.937 4.012 -0.075 18220 3690 1 8 . 1 1 20 20 LEU C C 11 176.694 176.694 178.862 -2.168 18220 3691 1 8 . 1 1 20 20 LEU CA C 11 57.800 57.800 58.467 -0.667 18220 3692 1 8 . 1 1 20 20 LEU CB C 11 41.222 41.222 42.095 -0.873 18220 3693 1 8 . 1 1 20 20 LEU H H 11 8.065 8.065 7.956 0.109 18220 3694 1 8 . 1 1 21 21 VAL N N 12 118.323 118.323 118.598 -0.275 18220 3695 1 8 . 1 1 21 21 VAL HA H 12 3.640 3.640 3.531 0.109 18220 3696 1 8 . 1 1 21 21 VAL C C 12 176.536 176.536 177.997 -1.461 18220 3697 1 8 . 1 1 21 21 VAL CA C 12 65.400 65.400 67.584 -2.183 18220 3698 1 8 . 1 1 21 21 VAL CB C 12 31.135 31.135 31.480 -0.344 18220 3699 1 8 . 1 1 21 21 VAL H H 12 8.051 8.051 8.344 -0.293 18220 3700 1 8 . 1 1 22 22 THR N N 13 118.298 118.298 117.152 1.146 18220 3701 1 8 . 1 1 22 22 THR HA H 13 4.660 4.660 3.914 0.746 18220 3702 1 8 . 1 1 22 22 THR C C 13 173.734 173.734 176.311 -2.577 18220 3703 1 8 . 1 1 22 22 THR CA C 13 66.300 66.300 67.518 -1.218 18220 3704 1 8 . 1 1 22 22 THR CB C 13 67.775 67.775 68.849 -1.074 18220 3705 1 8 . 1 1 22 22 THR H H 13 7.944 7.944 8.047 -0.103 18220 3706 1 8 . 1 1 23 23 PHE N N 14 121.328 121.328 121.698 -0.370 18220 3707 1 8 . 1 1 23 23 PHE HA H 14 4.340 4.340 4.032 0.308 18220 3708 1 8 . 1 1 23 23 PHE C C 14 174.783 174.783 177.730 -2.947 18220 3709 1 8 . 1 1 23 23 PHE CA C 14 60.500 60.500 61.339 -0.839 18220 3710 1 8 . 1 1 23 23 PHE CB C 14 38.626 38.626 38.618 0.007 18220 3711 1 8 . 1 1 23 23 PHE H H 14 8.567 8.567 8.404 0.163 18220 3712 1 8 . 1 1 24 24 GLY N N 15 106.871 106.871 106.279 0.592 18220 3713 1 8 . 1 1 24 24 GLY C C 15 172.858 172.858 176.015 -3.157 18220 3714 1 8 . 1 1 24 24 GLY CA C 15 46.900 46.900 47.339 -0.439 18220 3715 1 8 . 1 1 24 24 GLY H H 15 8.475 8.475 8.434 0.041 18220 3716 1 8 . 1 1 25 25 SER N N 16 116.214 116.214 118.964 -2.750 18220 3717 1 8 . 1 1 25 25 SER HA H 16 4.280 4.280 4.046 0.234 18220 3718 1 8 . 1 1 25 25 SER CA C 16 60.300 60.300 62.084 -1.784 18220 3719 1 8 . 1 1 25 25 SER CB C 16 62.879 62.879 62.990 -0.111 18220 3720 1 8 . 1 1 25 25 SER H H 16 7.963 7.963 8.079 -0.116 18220 3721 1 8 . 1 1 26 26 ILE N N 17 121.024 121.024 121.621 -0.597 18220 3722 1 8 . 1 1 26 26 ILE HA H 17 3.946 3.946 3.801 0.145 18220 3723 1 8 . 1 1 26 26 ILE C C 17 173.935 173.935 178.377 -4.442 18220 3724 1 8 . 1 1 26 26 ILE CA C 17 63.100 63.100 65.087 -1.987 18220 3725 1 8 . 1 1 26 26 ILE CB C 17 38.107 38.107 37.957 0.150 18220 3726 1 8 . 1 1 26 26 ILE H H 17 7.676 7.676 8.455 -0.779 18220 3727 1 8 . 1 1 27 27 PHE N N 18 117.142 117.142 118.214 -1.072 18220 3728 1 8 . 1 1 27 27 PHE HA H 18 4.430 4.430 4.123 0.307 18220 3729 1 8 . 1 1 27 27 PHE C C 18 173.504 173.504 177.303 -3.799 18220 3730 1 8 . 1 1 27 27 PHE CA C 18 58.500 58.500 60.377 -1.877 18220 3731 1 8 . 1 1 27 27 PHE CB C 18 38.774 38.774 38.432 0.341 18220 3732 1 8 . 1 1 27 27 PHE H H 18 7.703 7.703 8.376 -0.673 18220 3733 1 8 . 1 1 28 28 GLY N N 19 107.303 107.303 105.309 1.994 18220 3734 1 8 . 1 1 28 28 GLY C C 19 171.593 171.593 174.321 -2.728 18220 3735 1 8 . 1 1 28 28 GLY CA C 19 45.600 45.600 46.473 -0.873 18220 3736 1 8 . 1 1 28 28 GLY H H 19 7.722 7.722 7.721 0.001 18220 3737 1 8 . 1 1 29 29 TYR N N 20 119.862 119.862 117.734 2.128 18220 3738 1 8 . 1 1 29 29 TYR HA H 20 4.392 4.392 4.425 -0.033 18220 3739 1 8 . 1 1 29 29 TYR C C 20 173.174 173.174 174.247 -1.073 18220 3740 1 8 . 1 1 29 29 TYR CA C 20 58.500 58.500 59.268 -0.768 18220 3741 1 8 . 1 1 29 29 TYR CB C 20 38.404 38.404 40.630 -2.226 18220 3742 1 8 . 1 1 29 29 TYR H H 20 7.880 7.880 8.064 -0.184 18220 3743 1 8 . 1 1 30 30 LYS N N 21 122.335 122.335 119.219 3.116 18220 3744 1 8 . 1 1 30 30 LYS HA H 21 4.390 4.390 4.541 -0.151 18220 3745 1 8 . 1 1 30 30 LYS C C 21 173.547 173.547 174.436 -0.889 18220 3746 1 8 . 1 1 30 30 LYS CA C 21 55.800 55.800 56.512 -0.712 18220 3747 1 8 . 1 1 30 30 LYS CB C 21 32.396 32.396 34.434 -2.038 18220 3748 1 8 . 1 1 30 30 LYS H H 21 7.934 7.934 8.081 -0.147 18220 3749 1 8 . 1 1 31 31 ARG N N 22 120.612 120.612 121.264 -0.652 18220 3750 1 8 . 1 1 31 31 ARG C C 22 173.547 173.547 174.735 -1.188 18220 3751 1 8 . 1 1 31 31 ARG CA C 22 55.834 55.834 56.641 -0.807 18220 3752 1 8 . 1 1 31 31 ARG CB C 22 30.101 30.101 30.048 0.053 18220 3753 1 8 . 1 1 31 31 ARG H H 22 7.905 7.905 8.740 -0.835 18220 3754 1 8 . 1 1 32 32 ARG N N 23 121.748 121.748 120.539 1.209 18220 3755 1 8 . 1 1 32 32 ARG HA H 23 4.310 4.310 4.445 -0.135 18220 3756 1 8 . 1 1 32 32 ARG C C 23 173.863 173.863 175.587 -1.724 18220 3757 1 8 . 1 1 32 32 ARG CA C 23 55.800 55.800 56.102 -0.302 18220 3758 1 8 . 1 1 32 32 ARG CB C 23 30.245 30.245 31.352 -1.107 18220 3759 1 8 . 1 1 32 32 ARG H H 23 8.175 8.175 8.169 0.006 18220 3760 1 8 . 1 1 33 33 GLY N N 24 109.528 109.528 109.713 -0.185 18220 3761 1 8 . 1 1 33 33 GLY C C 24 171.752 171.752 174.049 -2.297 18220 3762 1 8 . 1 1 33 33 GLY CA C 24 44.900 44.900 44.990 -0.090 18220 3763 1 8 . 1 1 33 33 GLY H H 24 8.264 8.264 8.132 0.132 18220 3764 1 8 . 1 1 34 34 GLY N N 25 108.563 108.563 110.147 -1.584 18220 3765 1 8 . 1 1 34 34 GLY C C 25 171.701 171.701 174.932 -3.231 18220 3766 1 8 . 1 1 34 34 GLY CA C 25 44.600 44.600 45.754 -1.154 18220 3767 1 8 . 1 1 34 34 GLY H H 25 8.208 8.208 8.874 -0.666 18220 3768 1 8 . 1 1 35 35 VAL N N 26 121.164 121.164 123.250 -2.086 18220 3769 1 8 . 1 1 35 35 VAL HA H 26 4.010 4.010 4.470 -0.460 18220 3770 1 8 . 1 1 35 35 VAL C C 26 175.888 175.888 173.827 2.061 18220 3771 1 8 . 1 1 35 35 VAL CA C 26 63.900 63.900 59.056 4.843 18220 3772 1 8 . 1 1 35 35 VAL CB C 26 30.690 30.690 34.159 -3.469 18220 3773 1 8 . 1 1 35 35 VAL H H 26 8.485 8.485 7.882 0.603 18220 3774 1 8 . 1 1 36 36 PRO C C 27 177.660 177.660 175.643 2.017 18220 3775 1 8 . 1 1 36 36 PRO CA C 27 61.847 61.847 63.067 -1.220 18220 3776 1 8 . 1 1 37 37 SER N N 28 116.023 116.023 118.293 -2.270 18220 3777 1 8 . 1 1 37 37 SER HA H 28 4.280 4.280 4.326 -0.046 18220 3778 1 8 . 1 1 37 37 SER CA C 28 61.100 61.100 58.311 2.789 18220 3779 1 8 . 1 1 37 37 SER H H 28 7.948 7.948 8.114 -0.166 18220 3780 1 8 . 1 1 38 38 LEU N N 29 124.029 124.029 122.903 1.126 18220 3781 1 8 . 1 1 38 38 LEU HA H 29 4.170 4.170 3.995 0.175 18220 3782 1 8 . 1 1 38 38 LEU C C 29 176.132 176.132 178.506 -2.374 18220 3783 1 8 . 1 1 38 38 LEU CA C 29 57.500 57.500 58.056 -0.555 18220 3784 1 8 . 1 1 38 38 LEU CB C 29 42.038 42.038 41.310 0.728 18220 3785 1 8 . 1 1 38 38 LEU H H 29 8.201 8.201 8.154 0.047 18220 3786 1 8 . 1 1 39 39 ILE N N 30 117.098 117.098 119.031 -1.933 18220 3787 1 8 . 1 1 39 39 ILE HA H 30 4.370 4.370 3.709 0.661 18220 3788 1 8 . 1 1 39 39 ILE C C 30 176.478 176.478 178.143 -1.665 18220 3789 1 8 . 1 1 39 39 ILE CA C 30 63.079 63.079 63.993 -0.914 18220 3790 1 8 . 1 1 39 39 ILE CB C 30 36.973 36.973 35.971 1.002 18220 3791 1 8 . 1 1 39 39 ILE H H 30 7.662 7.662 7.969 -0.307 18220 3792 1 8 . 1 1 40 40 ALA N N 31 122.447 122.447 121.538 0.909 18220 3793 1 8 . 1 1 40 40 ALA HA H 31 4.034 4.034 4.017 0.017 18220 3794 1 8 . 1 1 40 40 ALA C C 31 177.067 177.067 179.740 -2.673 18220 3795 1 8 . 1 1 40 40 ALA CA C 31 55.962 55.962 55.358 0.604 18220 3796 1 8 . 1 1 40 40 ALA CB C 31 17.856 17.856 17.820 0.036 18220 3797 1 8 . 1 1 40 40 ALA H H 31 8.096 8.096 7.970 0.126 18220 3798 1 8 . 1 1 41 41 GLY N N 32 104.056 104.056 106.768 -2.712 18220 3799 1 8 . 1 1 41 41 GLY C C 32 174.251 174.251 176.470 -2.219 18220 3800 1 8 . 1 1 41 41 GLY CA C 32 46.500 46.500 46.858 -0.357 18220 3801 1 8 . 1 1 41 41 GLY H H 32 8.123 8.123 7.565 0.558 18220 3802 1 8 . 1 1 42 42 LEU N N 33 123.250 123.250 123.385 -0.135 18220 3803 1 8 . 1 1 42 42 LEU HA H 33 3.857 3.857 4.234 -0.377 18220 3804 1 8 . 1 1 42 42 LEU C C 33 176.033 176.033 178.800 -2.767 18220 3805 1 8 . 1 1 42 42 LEU CA C 33 56.668 56.668 58.078 -1.410 18220 3806 1 8 . 1 1 42 42 LEU CB C 33 41.721 41.721 42.127 -0.406 18220 3807 1 8 . 1 1 42 42 LEU H H 33 7.914 7.914 8.137 -0.223 18220 3808 1 8 . 1 1 43 43 PHE N N 34 119.757 119.757 119.388 0.369 18220 3809 1 8 . 1 1 43 43 PHE HA H 34 4.200 4.200 4.175 0.025 18220 3810 1 8 . 1 1 43 43 PHE C C 34 174.374 174.374 178.046 -3.672 18220 3811 1 8 . 1 1 43 43 PHE CA C 34 59.876 59.876 62.786 -2.910 18220 3812 1 8 . 1 1 43 43 PHE CB C 34 38.834 38.834 38.691 0.143 18220 3813 1 8 . 1 1 43 43 PHE H H 34 8.287 8.287 8.703 -0.416 18220 3814 1 8 . 1 1 44 44 VAL N N 35 117.791 117.791 119.503 -1.712 18220 3815 1 8 . 1 1 44 44 VAL HA H 35 3.610 3.610 3.835 -0.225 18220 3816 1 8 . 1 1 44 44 VAL C C 35 176.205 176.205 178.228 -2.023 18220 3817 1 8 . 1 1 44 44 VAL CA C 35 64.559 64.559 65.959 -1.400 18220 3818 1 8 . 1 1 44 44 VAL CB C 35 31.432 31.432 31.473 -0.041 18220 3819 1 8 . 1 1 44 44 VAL H H 35 8.235 8.235 8.404 -0.169 18220 3820 1 8 . 1 1 45 45 GLY N N 36 108.551 108.551 107.645 0.906 18220 3821 1 8 . 1 1 45 45 GLY C C 36 173.749 173.749 175.746 -1.997 18220 3822 1 8 . 1 1 45 45 GLY CA C 36 46.083 46.083 47.584 -1.501 18220 3823 1 8 . 1 1 45 45 GLY H H 36 8.178 8.178 8.261 -0.083 18220 3824 1 8 . 1 1 46 46 CYS N N 37 121.173 121.173 121.102 0.071 18220 3825 1 8 . 1 1 46 46 CYS HA H 37 4.180 4.180 3.995 0.185 18220 3826 1 8 . 1 1 46 46 CYS C C 37 173.710 173.710 176.732 -3.022 18220 3827 1 8 . 1 1 46 46 CYS CA C 37 63.000 63.000 65.033 -2.033 18220 3828 1 8 . 1 1 46 46 CYS CB C 37 60.283 60.283 27.676 32.607 18220 3829 1 8 . 1 1 46 46 CYS H H 37 8.253 8.253 8.301 -0.048 18220 3830 1 8 . 1 1 47 47 LEU N N 38 120.283 120.283 120.504 -0.221 18220 3831 1 8 . 1 1 47 47 LEU HA H 38 4.060 4.060 3.797 0.263 18220 3832 1 8 . 1 1 47 47 LEU C C 38 176.679 176.679 178.166 -1.487 18220 3833 1 8 . 1 1 47 47 LEU CA C 38 56.027 56.027 58.353 -2.326 18220 3834 1 8 . 1 1 47 47 LEU CB C 38 41.464 41.464 42.020 -0.556 18220 3835 1 8 . 1 1 47 47 LEU H H 38 7.965 7.965 7.924 0.041 18220 3836 1 8 . 1 1 48 48 ALA N N 39 122.249 122.249 119.842 2.407 18220 3837 1 8 . 1 1 48 48 ALA HA H 39 4.142 4.142 4.016 0.126 18220 3838 1 8 . 1 1 48 48 ALA C C 39 177.915 177.915 179.897 -1.982 18220 3839 1 8 . 1 1 48 48 ALA CA C 39 53.717 53.717 55.360 -1.643 18220 3840 1 8 . 1 1 48 48 ALA CB C 39 17.985 17.985 18.014 -0.028 18220 3841 1 8 . 1 1 48 48 ALA H H 39 8.066 8.066 8.134 -0.068 18220 3842 1 8 . 1 1 49 49 GLY N N 40 107.377 107.377 107.189 0.188 18220 3843 1 8 . 1 1 49 49 GLY C C 40 172.527 172.527 176.009 -3.482 18220 3844 1 8 . 1 1 49 49 GLY CA C 40 45.450 45.450 47.083 -1.633 18220 3845 1 8 . 1 1 49 49 GLY H H 40 8.172 8.172 8.249 -0.077 18220 3846 1 8 . 1 1 50 50 TYR N N 41 122.409 122.409 122.916 -0.507 18220 3847 1 8 . 1 1 50 50 TYR HA H 41 3.799 3.799 3.989 -0.190 18220 3848 1 8 . 1 1 50 50 TYR C C 41 174.208 174.208 178.489 -4.281 18220 3849 1 8 . 1 1 50 50 TYR CA C 41 59.245 59.245 61.705 -2.460 18220 3850 1 8 . 1 1 50 50 TYR CB C 41 37.936 37.936 38.151 -0.215 18220 3851 1 8 . 1 1 50 50 TYR H H 41 7.800 7.800 8.486 -0.686 18220 3852 1 8 . 1 1 51 51 GLY N N 42 106.935 106.935 105.876 1.059 18220 3853 1 8 . 1 1 51 51 GLY C C 42 172.642 172.642 175.681 -3.039 18220 3854 1 8 . 1 1 51 51 GLY CA C 42 46.265 46.265 47.080 -0.815 18220 3855 1 8 . 1 1 51 51 GLY H H 42 8.199 8.199 8.236 -0.037 18220 3856 1 8 . 1 1 52 52 ALA N N 43 123.018 123.018 125.205 -2.187 18220 3857 1 8 . 1 1 52 52 ALA HA H 43 4.150 4.150 4.027 0.123 18220 3858 1 8 . 1 1 52 52 ALA C C 43 176.398 176.398 178.913 -2.515 18220 3859 1 8 . 1 1 52 52 ALA CA C 43 52.883 52.883 54.566 -1.683 18220 3860 1 8 . 1 1 52 52 ALA CB C 43 18.241 18.241 18.333 -0.092 18220 3861 1 8 . 1 1 52 52 ALA H H 43 7.758 7.758 8.043 -0.285 18220 3862 1 8 . 1 1 53 53 TYR N N 44 119.664 119.664 118.271 1.393 18220 3863 1 8 . 1 1 53 53 TYR HA H 44 4.318 4.318 4.413 -0.095 18220 3864 1 8 . 1 1 53 53 TYR C C 44 174.180 174.180 177.909 -3.729 18220 3865 1 8 . 1 1 53 53 TYR CA C 44 58.593 58.593 60.785 -2.192 18220 3866 1 8 . 1 1 53 53 TYR CB C 44 38.192 38.192 38.846 -0.654 18220 3867 1 8 . 1 1 53 53 TYR H H 44 7.920 7.920 8.071 -0.151 18220 3868 1 8 . 1 1 54 54 ARG N N 45 119.516 119.516 119.220 0.296 18220 3869 1 8 . 1 1 54 54 ARG HA H 45 3.930 3.930 4.279 -0.349 18220 3870 1 8 . 1 1 54 54 ARG C C 45 174.423 174.423 177.776 -3.353 18220 3871 1 8 . 1 1 54 54 ARG CA C 45 56.027 56.027 58.244 -2.217 18220 3872 1 8 . 1 1 54 54 ARG CB C 45 30.173 30.173 30.752 -0.579 18220 3873 1 8 . 1 1 54 54 ARG H H 45 7.956 7.956 8.091 -0.135 18220 3874 1 8 . 1 1 55 55 VAL N N 46 116.437 116.437 119.393 -2.956 18220 3875 1 8 . 1 1 55 55 VAL HA H 46 4.060 4.060 4.242 -0.182 18220 3876 1 8 . 1 1 55 55 VAL C C 46 173.806 173.806 174.347 -0.541 18220 3877 1 8 . 1 1 55 55 VAL CA C 46 62.300 62.300 61.742 0.558 18220 3878 1 8 . 1 1 55 55 VAL CB C 46 31.521 31.521 30.487 1.034 18220 3879 1 8 . 1 1 55 55 VAL H H 46 7.489 7.489 8.163 -0.674 18220 3880 1 8 . 1 1 56 56 SER N N 47 117.185 117.185 115.206 1.979 18220 3881 1 8 . 1 1 56 56 SER HA H 47 4.401 4.401 4.531 -0.130 18220 3882 1 8 . 1 1 56 56 SER C C 47 172.074 172.074 171.929 0.145 18220 3883 1 8 . 1 1 56 56 SER CA C 47 58.133 58.133 57.785 0.348 18220 3884 1 8 . 1 1 56 56 SER CB C 47 63.468 63.468 64.849 -1.381 18220 3885 1 8 . 1 1 56 56 SER H H 47 7.728 7.728 7.191 0.537 18220 3886 1 8 . 1 1 57 57 ASN N N 48 121.049 121.049 117.536 3.513 18220 3887 1 8 . 1 1 57 57 ASN HA H 48 4.590 4.590 4.698 -0.108 18220 3888 1 8 . 1 1 57 57 ASN CA C 48 53.600 53.600 52.209 1.391 18220 3889 1 8 . 1 1 57 57 ASN CB C 48 38.641 38.641 38.607 0.034 18220 3890 1 8 . 1 1 57 57 ASN H H 48 8.228 8.228 8.273 -0.045 18220 3891 1 8 . 1 1 58 58 ASP N N 49 120.276 120.276 117.146 3.130 18220 3892 1 8 . 1 1 58 58 ASP HA H 49 4.530 4.530 4.380 0.150 18220 3893 1 8 . 1 1 58 58 ASP CA C 49 54.202 54.202 53.687 0.515 18220 3894 1 8 . 1 1 58 58 ASP CB C 49 40.374 40.374 41.531 -1.157 18220 3895 1 8 . 1 1 58 58 ASP H H 49 8.192 8.192 7.404 0.788 18220 3896 1 8 . 1 1 59 59 LYS N N 50 120.660 120.660 117.228 3.432 18220 3897 1 8 . 1 1 59 59 LYS HA H 50 4.200 4.200 3.894 0.306 18220 3898 1 8 . 1 1 59 59 LYS C C 50 173.474 173.474 174.631 -1.157 18220 3899 1 8 . 1 1 59 59 LYS CA C 50 56.300 56.300 56.862 -0.562 18220 3900 1 8 . 1 1 59 59 LYS CB C 50 32.034 32.034 33.009 -0.975 18220 3901 1 8 . 1 1 59 59 LYS H H 50 8.003 8.003 8.248 -0.245 18220 3902 1 8 . 1 1 60 60 ARG N N 51 121.278 121.278 121.443 -0.165 18220 3903 1 8 . 1 1 60 60 ARG HA H 51 4.200 4.200 4.559 -0.359 18220 3904 1 8 . 1 1 60 60 ARG C C 51 173.303 173.303 174.552 -1.249 18220 3905 1 8 . 1 1 60 60 ARG CA C 51 56.283 56.283 55.019 1.264 18220 3906 1 8 . 1 1 60 60 ARG CB C 51 30.238 30.238 32.701 -2.463 18220 3907 1 8 . 1 1 60 60 ARG H H 51 8.091 8.091 8.150 -0.059 18220 3908 1 8 . 1 1 61 61 ASP N N 52 121.185 121.185 120.698 0.487 18220 3909 1 8 . 1 1 61 61 ASP HA H 52 4.615 4.615 4.538 0.077 18220 3910 1 8 . 1 1 61 61 ASP C C 52 173.777 173.777 174.786 -1.009 18220 3911 1 8 . 1 1 61 61 ASP CA C 52 53.979 53.979 55.063 -1.084 18220 3912 1 8 . 1 1 61 61 ASP CB C 52 40.245 40.245 39.215 1.030 18220 3913 1 8 . 1 1 61 61 ASP H H 52 8.261 8.261 8.683 -0.422 18220 3914 1 8 . 1 1 62 62 VAL N N 53 121.902 121.902 119.502 2.400 18220 3915 1 8 . 1 1 62 62 VAL HA H 53 3.950 3.950 4.194 -0.244 18220 3916 1 8 . 1 1 62 62 VAL C C 53 173.279 173.279 176.943 -3.664 18220 3917 1 8 . 1 1 62 62 VAL CA C 53 63.176 63.176 63.447 -0.272 18220 3918 1 8 . 1 1 62 62 VAL CB C 53 32.099 32.099 33.401 -1.302 18220 3919 1 8 . 1 1 62 62 VAL H H 53 7.997 7.997 8.252 -0.255 18220 3920 1 8 . 1 1 63 63 LYS N N 54 123.522 123.522 121.082 2.440 18220 3921 1 8 . 1 1 63 63 LYS HA H 54 4.260 4.260 4.293 -0.033 18220 3922 1 8 . 1 1 63 63 LYS C C 54 174.481 174.481 178.880 -4.399 18220 3923 1 8 . 1 1 63 63 LYS CA C 54 56.347 56.347 59.045 -2.698 18220 3924 1 8 . 1 1 63 63 LYS CB C 54 32.099 32.099 32.695 -0.596 18220 3925 1 8 . 1 1 63 63 LYS H H 54 8.054 8.054 8.226 -0.172 18220 3926 1 8 . 1 1 64 64 VAL N N 55 120.647 120.647 118.071 2.576 18220 3927 1 8 . 1 1 64 64 VAL HA H 55 3.947 3.947 3.578 0.369 18220 3928 1 8 . 1 1 64 64 VAL C C 55 174.955 174.955 177.824 -2.869 18220 3929 1 8 . 1 1 64 64 VAL CA C 55 64.600 64.600 66.707 -2.107 18220 3930 1 8 . 1 1 64 64 VAL CB C 55 31.877 31.877 31.361 0.516 18220 3931 1 8 . 1 1 64 64 VAL H H 55 8.225 8.225 8.204 0.021 18220 3932 1 8 . 1 1 65 65 SER N N 56 117.785 117.785 115.479 2.306 18220 3933 1 8 . 1 1 65 65 SER HA H 56 4.390 4.390 4.147 0.243 18220 3934 1 8 . 1 1 65 65 SER C C 56 172.300 172.300 176.470 -4.170 18220 3935 1 8 . 1 1 65 65 SER CA C 56 60.000 60.000 62.447 -2.447 18220 3936 1 8 . 1 1 65 65 SER CB C 56 62.879 62.879 62.613 0.266 18220 3937 1 8 . 1 1 65 65 SER H H 56 8.260 8.260 8.171 0.089 18220 3938 1 8 . 1 1 66 66 LEU N N 57 123.318 123.318 122.316 1.002 18220 3939 1 8 . 1 1 66 66 LEU HA H 57 4.090 4.090 4.116 -0.026 18220 3940 1 8 . 1 1 66 66 LEU C C 57 175.932 175.932 178.180 -2.248 18220 3941 1 8 . 1 1 66 66 LEU CA C 57 57.502 57.502 58.053 -0.551 18220 3942 1 8 . 1 1 66 66 LEU CB C 57 41.721 41.721 42.071 -0.350 18220 3943 1 8 . 1 1 66 66 LEU H H 57 8.091 8.091 7.766 0.325 18220 3944 1 8 . 1 1 67 67 PHE N N 58 118.020 118.020 118.695 -0.675 18220 3945 1 8 . 1 1 67 67 PHE HA H 58 4.330 4.330 4.384 -0.054 18220 3946 1 8 . 1 1 67 67 PHE C C 58 174.912 174.912 177.480 -2.568 18220 3947 1 8 . 1 1 67 67 PHE CA C 58 60.600 60.600 61.163 -0.563 18220 3948 1 8 . 1 1 67 67 PHE CB C 58 38.552 38.552 39.169 -0.617 18220 3949 1 8 . 1 1 67 67 PHE H H 58 8.066 8.066 8.528 -0.462 18220 3950 1 8 . 1 1 68 68 THR N N 59 115.324 115.324 117.353 -2.029 18220 3951 1 8 . 1 1 68 68 THR HA H 59 4.310 4.310 4.147 0.163 18220 3952 1 8 . 1 1 68 68 THR C C 59 173.380 173.380 176.438 -3.058 18220 3953 1 8 . 1 1 68 68 THR CA C 59 66.313 66.313 67.292 -0.979 18220 3954 1 8 . 1 1 68 68 THR CB C 59 67.700 67.700 68.868 -1.167 18220 3955 1 8 . 1 1 68 68 THR H H 59 8.287 8.287 8.318 -0.031 18220 3956 1 8 . 1 1 69 69 ALA N N 60 123.621 123.621 125.013 -1.392 18220 3957 1 8 . 1 1 69 69 ALA HA H 60 4.280 4.280 4.182 0.098 18220 3958 1 8 . 1 1 69 69 ALA C C 60 176.978 176.978 179.203 -2.225 18220 3959 1 8 . 1 1 69 69 ALA CA C 60 55.100 55.100 55.252 -0.152 18220 3960 1 8 . 1 1 69 69 ALA CB C 60 17.728 17.728 18.058 -0.330 18220 3961 1 8 . 1 1 69 69 ALA H H 60 7.983 7.983 8.332 -0.349 18220 3962 1 8 . 1 1 70 70 PHE N N 61 118.520 118.520 119.563 -1.043 18220 3963 1 8 . 1 1 70 70 PHE HA H 61 4.260 4.260 4.112 0.148 18220 3964 1 8 . 1 1 70 70 PHE C C 61 175.369 175.369 177.379 -2.010 18220 3965 1 8 . 1 1 70 70 PHE CA C 61 60.179 60.179 61.964 -1.785 18220 3966 1 8 . 1 1 70 70 PHE CB C 61 38.706 38.706 39.182 -0.476 18220 3967 1 8 . 1 1 70 70 PHE H H 61 8.007 8.007 8.370 -0.363 18220 3968 1 8 . 1 1 71 71 PHE N N 62 122.314 122.314 119.109 3.205 18220 3969 1 8 . 1 1 71 71 PHE HA H 62 4.000 4.000 4.122 -0.122 18220 3970 1 8 . 1 1 71 71 PHE C C 62 174.697 174.697 177.142 -2.445 18220 3971 1 8 . 1 1 71 71 PHE CA C 62 60.517 60.517 60.736 -0.219 18220 3972 1 8 . 1 1 71 71 PHE CB C 62 38.770 38.770 38.670 0.100 18220 3973 1 8 . 1 1 71 71 PHE H H 62 8.546 8.546 8.087 0.459 18220 3974 1 8 . 1 1 72 72 LEU N N 63 119.399 119.399 121.670 -2.271 18220 3975 1 8 . 1 1 72 72 LEU HA H 63 3.870 3.870 3.707 0.163 18220 3976 1 8 . 1 1 72 72 LEU C C 63 175.774 175.774 178.286 -2.512 18220 3977 1 8 . 1 1 72 72 LEU CA C 63 56.925 56.925 58.267 -1.343 18220 3978 1 8 . 1 1 72 72 LEU CB C 63 41.207 41.207 41.581 -0.374 18220 3979 1 8 . 1 1 72 72 LEU H H 63 8.396 8.396 8.173 0.223 18220 3980 1 8 . 1 1 73 73 ALA N N 64 120.221 120.221 119.863 0.358 18220 3981 1 8 . 1 1 73 73 ALA HA H 64 3.960 3.960 3.853 0.107 18220 3982 1 8 . 1 1 73 73 ALA C C 64 177.267 177.267 179.554 -2.287 18220 3983 1 8 . 1 1 73 73 ALA CA C 64 54.600 54.600 54.983 -0.383 18220 3984 1 8 . 1 1 73 73 ALA CB C 64 17.784 17.784 17.855 -0.071 18220 3985 1 8 . 1 1 73 73 ALA H H 64 8.025 8.025 8.118 -0.093 18220 3986 1 8 . 1 1 74 74 THR N N 65 113.648 113.648 114.771 -1.123 18220 3987 1 8 . 1 1 74 74 THR HA H 65 3.980 3.980 3.851 0.129 18220 3988 1 8 . 1 1 74 74 THR CA C 65 66.291 66.291 67.550 -1.259 18220 3989 1 8 . 1 1 74 74 THR CB C 65 67.914 67.914 68.795 -0.881 18220 3990 1 8 . 1 1 74 74 THR H H 65 7.717 7.717 7.798 -0.081 18220 3991 1 8 . 1 1 75 75 ILE N N 66 120.291 120.291 119.624 0.667 18220 3992 1 8 . 1 1 75 75 ILE HA H 66 3.740 3.740 3.584 0.156 18220 3993 1 8 . 1 1 75 75 ILE C C 66 174.951 174.951 176.932 -1.981 18220 3994 1 8 . 1 1 75 75 ILE CA C 66 64.880 64.880 63.533 1.347 18220 3995 1 8 . 1 1 75 75 ILE CB C 66 37.166 37.166 37.922 -0.756 18220 3996 1 8 . 1 1 75 75 ILE H H 66 7.738 7.738 7.600 0.138 18220 3997 1 8 . 1 1 76 76 MET N N 67 117.618 117.618 117.360 0.258 18220 3998 1 8 . 1 1 76 76 MET HA H 67 4.220 4.220 4.090 0.130 18220 3999 1 8 . 1 1 76 76 MET C C 67 175.142 175.142 177.064 -1.922 18220 4000 1 8 . 1 1 76 76 MET CA C 67 56.723 56.723 57.922 -1.199 18220 4001 1 8 . 1 1 76 76 MET CB C 67 31.951 31.951 33.531 -1.580 18220 4002 1 8 . 1 1 76 76 MET H H 67 7.823 7.823 7.874 -0.051 18220 4003 1 8 . 1 1 77 77 GLY N N 68 107.110 107.110 105.660 1.450 18220 4004 1 8 . 1 1 77 77 GLY C C 68 172.260 172.260 173.331 -1.071 18220 4005 1 8 . 1 1 77 77 GLY CA C 68 45.800 45.800 44.593 1.208 18220 4006 1 8 . 1 1 77 77 GLY H H 68 7.937 7.937 7.842 0.095 18220 4007 1 8 . 1 1 78 78 VAL N N 69 120.431 120.431 122.701 -2.270 18220 4008 1 8 . 1 1 78 78 VAL HA H 69 4.220 4.220 4.338 -0.118 18220 4009 1 8 . 1 1 78 78 VAL CA C 69 63.900 63.900 59.819 4.081 18220 4010 1 8 . 1 1 78 78 VAL CB C 69 31.506 31.506 33.568 -2.062 18220 4011 1 8 . 1 1 78 78 VAL H H 69 7.697 7.697 7.880 -0.183 18220 4012 1 8 . 1 1 79 79 ARG N N 70 121.420 121.420 126.177 -4.757 18220 4013 1 8 . 1 1 79 79 ARG HA H 70 3.810 3.810 3.988 -0.178 18220 4014 1 8 . 1 1 79 79 ARG CA C 70 56.400 56.400 58.382 -1.982 18220 4015 1 8 . 1 1 79 79 ARG CB C 70 30.097 30.097 30.456 -0.359 18220 4016 1 8 . 1 1 79 79 ARG H H 70 7.889 7.889 8.556 -0.667 18220 4017 1 8 . 1 1 80 80 PHE N N 71 119.949 119.949 114.932 5.017 18220 4018 1 8 . 1 1 80 80 PHE HA H 71 4.510 4.510 4.633 -0.123 18220 4019 1 8 . 1 1 80 80 PHE CA C 71 58.600 58.600 55.644 2.956 18220 4020 1 8 . 1 1 80 80 PHE CB C 71 39.145 39.145 39.748 -0.603 18220 4021 1 8 . 1 1 80 80 PHE H H 71 8.101 8.101 7.598 0.503 18220 4022 1 8 . 1 1 81 81 LYS N N 72 122.193 122.193 122.251 -0.058 18220 4023 1 8 . 1 1 81 81 LYS CA C 72 56.800 56.800 57.065 -0.265 18220 4024 1 8 . 1 1 81 81 LYS CB C 72 32.322 32.322 33.066 -0.745 18220 4025 1 8 . 1 1 81 81 LYS H H 72 8.090 8.090 8.568 -0.478 18220 4026 1 8 . 1 1 82 82 ARG N N 73 119.650 119.650 122.674 -3.024 18220 4027 1 8 . 1 1 82 82 ARG CA C 73 56.089 56.089 55.983 0.106 18220 4028 1 8 . 1 1 82 82 ARG CB C 73 30.171 30.171 29.544 0.627 18220 4029 1 8 . 1 1 82 82 ARG H H 73 8.052 8.052 8.523 -0.471 18220 4030 1 8 . 1 1 83 83 SER N N 74 115.734 115.734 118.974 -3.240 18220 4031 1 8 . 1 1 83 83 SER CA C 74 58.355 58.355 58.465 -0.110 18220 4032 1 8 . 1 1 83 83 SER CB C 74 63.404 63.404 64.546 -1.142 18220 4033 1 8 . 1 1 83 83 SER H H 74 7.912 7.912 8.533 -0.621 18220 4034 1 8 . 1 1 84 84 LYS N N 75 122.370 122.370 120.776 1.594 18220 4035 1 8 . 1 1 84 84 LYS CA C 75 56.135 56.135 56.741 -0.606 18220 4036 1 8 . 1 1 84 84 LYS CB C 75 32.175 32.175 33.225 -1.050 18220 4037 1 8 . 1 1 84 84 LYS H H 75 8.067 8.067 8.181 -0.114 18220 4038 1 8 . 1 1 86 86 ILE N N 77 119.592 119.592 115.294 4.298 18220 4039 1 8 . 1 1 86 86 ILE HA H 77 3.810 3.810 3.810 -0.000 18220 4040 1 8 . 1 1 86 86 ILE CA C 77 64.900 64.900 62.015 2.885 18220 4041 1 8 . 1 1 86 86 ILE CB C 77 39.145 39.145 36.617 2.528 18220 4042 1 8 . 1 1 86 86 ILE H H 77 7.837 7.837 8.528 -0.691 18220 4043 1 8 . 1 1 87 87 MET N N 78 121.645 121.645 123.454 -1.809 18220 4044 1 8 . 1 1 87 87 MET CA C 78 52.982 52.982 59.825 -6.843 18220 4045 1 8 . 1 1 87 87 MET CB C 78 32.173 32.173 31.226 0.947 18220 4046 1 8 . 1 1 87 87 MET H H 78 7.950 7.950 8.664 -0.714 18220 4047 1 8 . 1 1 88 88 PRO HA H 79 4.140 4.140 4.577 -0.437 18220 4048 1 8 . 1 1 88 88 PRO C C 79 173.921 173.921 176.096 -2.175 18220 4049 1 8 . 1 1 88 88 PRO CA C 79 62.800 62.800 62.513 0.287 18220 4050 1 8 . 1 1 88 88 PRO CB C 79 31.136 31.136 29.414 1.722 18220 4051 1 8 . 1 1 89 89 ALA N N 80 124.431 124.431 124.771 -0.340 18220 4052 1 8 . 1 1 89 89 ALA HA H 80 4.400 4.400 4.105 0.295 18220 4053 1 8 . 1 1 89 89 ALA C C 80 176.234 176.234 179.218 -2.984 18220 4054 1 8 . 1 1 89 89 ALA CA C 80 53.300 53.300 55.525 -2.225 18220 4055 1 8 . 1 1 89 89 ALA CB C 80 18.498 18.498 18.841 -0.343 18220 4056 1 8 . 1 1 89 89 ALA H H 80 8.320 8.320 8.406 -0.086 18220 4057 1 8 . 1 1 90 90 GLY N N 81 106.834 106.834 107.379 -0.545 18220 4058 1 8 . 1 1 90 90 GLY C C 81 172.398 172.398 175.942 -3.544 18220 4059 1 8 . 1 1 90 90 GLY CA C 81 45.600 45.600 47.497 -1.897 18220 4060 1 8 . 1 1 90 90 GLY H H 81 8.458 8.458 8.768 -0.310 18220 4061 1 8 . 1 1 91 91 LEU N N 82 121.043 121.043 121.107 -0.064 18220 4062 1 8 . 1 1 91 91 LEU HA H 82 4.200 4.200 3.942 0.258 18220 4063 1 8 . 1 1 91 91 LEU C C 82 174.783 174.783 178.650 -3.867 18220 4064 1 8 . 1 1 91 91 LEU CA C 82 56.300 56.300 57.950 -1.649 18220 4065 1 8 . 1 1 91 91 LEU CB C 82 42.106 42.106 42.232 -0.126 18220 4066 1 8 . 1 1 91 91 LEU H H 82 7.687 7.687 7.894 -0.207 18220 4067 1 8 . 1 1 92 92 VAL N N 83 114.737 114.737 118.624 -3.887 18220 4068 1 8 . 1 1 92 92 VAL HA H 83 3.980 3.980 3.574 0.406 18220 4069 1 8 . 1 1 92 92 VAL C C 83 173.634 173.634 177.779 -4.145 18220 4070 1 8 . 1 1 92 92 VAL CA C 83 62.400 62.400 66.381 -3.981 18220 4071 1 8 . 1 1 92 92 VAL CB C 83 31.585 31.585 31.178 0.407 18220 4072 1 8 . 1 1 92 92 VAL H H 83 7.602 7.602 7.768 -0.166 18220 4073 1 8 . 1 1 93 93 ALA N N 84 124.320 124.320 121.661 2.659 18220 4074 1 8 . 1 1 93 93 ALA HA H 84 4.150 4.150 4.154 -0.004 18220 4075 1 8 . 1 1 93 93 ALA C C 84 175.746 175.746 179.889 -4.143 18220 4076 1 8 . 1 1 93 93 ALA CA C 84 53.300 53.300 55.201 -1.901 18220 4077 1 8 . 1 1 93 93 ALA CB C 84 18.241 18.241 17.968 0.273 18220 4078 1 8 . 1 1 93 93 ALA H H 84 7.891 7.891 8.391 -0.500 18220 4079 1 8 . 1 1 94 94 GLY N N 85 106.807 106.807 108.259 -1.452 18220 4080 1 8 . 1 1 94 94 GLY C C 85 171.752 171.752 176.004 -4.252 18220 4081 1 8 . 1 1 94 94 GLY CA C 85 45.249 45.249 46.806 -1.557 18220 4082 1 8 . 1 1 94 94 GLY H H 85 8.204 8.204 8.077 0.127 18220 4083 1 8 . 1 1 95 95 LEU N N 86 121.266 121.266 122.123 -0.857 18220 4084 1 8 . 1 1 95 95 LEU HA H 86 4.380 4.380 3.878 0.502 18220 4085 1 8 . 1 1 95 95 LEU C C 86 173.702 173.702 179.113 -5.411 18220 4086 1 8 . 1 1 95 95 LEU CA C 86 55.000 55.000 58.392 -3.392 18220 4087 1 8 . 1 1 95 95 LEU CB C 86 42.298 42.298 41.593 0.706 18220 4088 1 8 . 1 1 95 95 LEU H H 86 7.718 7.718 8.349 -0.631 18220 4089 1 8 . 1 1 96 96 SER N N 87 115.658 115.658 114.875 0.783 18220 4090 1 8 . 1 1 96 96 SER HA H 87 4.370 4.370 4.188 0.182 18220 4091 1 8 . 1 1 96 96 SER C C 87 172.479 172.479 176.776 -4.297 18220 4092 1 8 . 1 1 96 96 SER CA C 87 57.200 57.200 61.704 -4.504 18220 4093 1 8 . 1 1 96 96 SER CB C 87 64.174 64.174 62.865 1.309 18220 4094 1 8 . 1 1 96 96 SER H H 87 7.659 7.659 8.045 -0.386 18220 4095 1 8 . 1 1 97 97 LEU N N 88 123.720 123.720 122.549 1.171 18220 4096 1 8 . 1 1 97 97 LEU HA H 88 4.600 4.600 3.896 0.704 18220 4097 1 8 . 1 1 97 97 LEU C C 88 175.932 175.932 178.667 -2.735 18220 4098 1 8 . 1 1 97 97 LEU CA C 88 57.600 57.600 58.193 -0.593 18220 4099 1 8 . 1 1 97 97 LEU CB C 88 41.400 41.400 42.053 -0.653 18220 4100 1 8 . 1 1 97 97 LEU H H 88 8.733 8.733 7.973 0.760 18220 4101 1 8 . 1 1 98 98 MET N N 89 116.684 116.684 118.455 -1.771 18220 4102 1 8 . 1 1 98 98 MET HA H 89 4.280 4.280 3.966 0.314 18220 4103 1 8 . 1 1 98 98 MET C C 89 175.789 175.789 178.405 -2.616 18220 4104 1 8 . 1 1 98 98 MET CA C 89 56.915 56.915 59.276 -2.361 18220 4105 1 8 . 1 1 98 98 MET CB C 89 31.007 31.007 32.551 -1.544 18220 4106 1 8 . 1 1 98 98 MET H H 89 8.342 8.342 8.301 0.041 18220 4107 1 8 . 1 1 99 99 MET N N 90 119.182 119.182 120.022 -0.840 18220 4108 1 8 . 1 1 99 99 MET HA H 90 4.110 4.110 3.971 0.139 18220 4109 1 8 . 1 1 99 99 MET C C 90 175.588 175.588 178.429 -2.841 18220 4110 1 8 . 1 1 99 99 MET CA C 90 57.951 57.951 59.301 -1.350 18220 4111 1 8 . 1 1 99 99 MET CB C 90 32.226 32.226 32.428 -0.202 18220 4112 1 8 . 1 1 99 99 MET H H 90 7.720 7.720 8.042 -0.322 18220 4113 1 8 . 1 1 100 100 ILE N N 91 119.077 119.077 119.524 -0.447 18220 4114 1 8 . 1 1 100 100 ILE HA H 91 4.110 4.110 3.672 0.438 18220 4115 1 8 . 1 1 100 100 ILE C C 91 174.634 174.634 178.471 -3.837 18220 4116 1 8 . 1 1 100 100 ILE CA C 91 64.100 64.100 64.298 -0.198 18220 4117 1 8 . 1 1 100 100 ILE CB C 91 37.143 37.143 36.462 0.681 18220 4118 1 8 . 1 1 100 100 ILE H H 91 7.662 7.662 8.195 -0.533 18220 4119 1 8 . 1 1 101 101 LEU N N 92 119.646 119.646 119.943 -0.297 18220 4120 1 8 . 1 1 101 101 LEU HA H 92 4.530 4.530 3.935 0.595 18220 4121 1 8 . 1 1 101 101 LEU C C 92 175.430 175.430 179.075 -3.645 18220 4122 1 8 . 1 1 101 101 LEU CA C 92 57.800 57.800 58.611 -0.811 18220 4123 1 8 . 1 1 101 101 LEU CB C 92 40.758 40.758 41.780 -1.022 18220 4124 1 8 . 1 1 101 101 LEU H H 92 8.142 8.142 8.371 -0.229 18220 4125 1 8 . 1 1 102 102 ARG N N 93 116.394 116.394 118.810 -2.416 18220 4126 1 8 . 1 1 102 102 ARG HA H 93 4.140 4.140 4.072 0.068 18220 4127 1 8 . 1 1 102 102 ARG C C 93 175.961 175.961 178.311 -2.350 18220 4128 1 8 . 1 1 102 102 ARG CA C 93 59.100 59.100 58.785 0.315 18220 4129 1 8 . 1 1 102 102 ARG CB C 93 29.404 29.404 29.871 -0.467 18220 4130 1 8 . 1 1 102 102 ARG H H 93 7.893 7.893 8.231 -0.338 18220 4131 1 8 . 1 1 103 103 LEU N N 94 119.114 119.114 120.595 -1.481 18220 4132 1 8 . 1 1 103 103 LEU HA H 94 4.110 4.110 4.101 0.009 18220 4133 1 8 . 1 1 103 103 LEU C C 94 175.889 175.889 179.288 -3.399 18220 4134 1 8 . 1 1 103 103 LEU CA C 94 57.300 57.300 57.855 -0.555 18220 4135 1 8 . 1 1 103 103 LEU CB C 94 41.296 41.296 41.021 0.275 18220 4136 1 8 . 1 1 103 103 LEU H H 94 7.622 7.622 7.946 -0.324 18220 4137 1 8 . 1 1 104 104 VAL N N 95 117.704 117.704 118.929 -1.225 18220 4138 1 8 . 1 1 104 104 VAL HA H 95 3.530 3.530 3.797 -0.267 18220 4139 1 8 . 1 1 104 104 VAL C C 95 175.042 175.042 178.094 -3.052 18220 4140 1 8 . 1 1 104 104 VAL CA C 95 66.419 66.419 65.354 1.065 18220 4141 1 8 . 1 1 104 104 VAL CB C 95 31.357 31.357 31.377 -0.020 18220 4142 1 8 . 1 1 104 104 VAL H H 95 8.026 8.026 7.581 0.445 18220 4143 1 8 . 1 1 105 105 LEU N N 96 117.185 117.185 120.615 -3.430 18220 4144 1 8 . 1 1 105 105 LEU HA H 96 3.980 3.980 3.935 0.045 18220 4145 1 8 . 1 1 105 105 LEU C C 96 176.579 176.579 178.697 -2.118 18220 4146 1 8 . 1 1 105 105 LEU CA C 96 56.800 56.800 58.397 -1.597 18220 4147 1 8 . 1 1 105 105 LEU CB C 96 40.951 40.951 41.845 -0.894 18220 4148 1 8 . 1 1 105 105 LEU H H 96 7.893 7.893 8.022 -0.129 18220 4149 1 8 . 1 1 106 106 LEU N N 97 118.471 118.471 119.868 -1.397 18220 4150 1 8 . 1 1 106 106 LEU HA H 97 4.180 4.180 3.861 0.319 18220 4151 1 8 . 1 1 106 106 LEU C C 97 175.802 175.802 178.459 -2.657 18220 4152 1 8 . 1 1 106 106 LEU CA C 97 56.300 56.300 57.976 -1.676 18220 4153 1 8 . 1 1 106 106 LEU CB C 97 41.592 41.592 42.144 -0.552 18220 4154 1 8 . 1 1 106 106 LEU H H 97 7.545 7.545 7.640 -0.095 18220 4155 1 8 . 1 1 107 107 LEU N N 98 118.162 118.162 118.495 -0.333 18220 4156 1 8 . 1 1 107 107 LEU HA H 98 4.230 4.230 4.105 0.125 18220 4157 1 8 . 1 1 107 107 LEU C C 98 174.174 174.174 177.851 -3.677 18220 4158 1 8 . 1 1 107 107 LEU CA C 98 56.283 56.283 56.556 -0.273 18220 4159 1 8 . 1 1 107 107 LEU CB C 98 42.362 42.362 42.589 -0.227 18220 4160 1 8 . 1 1 107 107 LEU H H 98 7.688 7.688 8.294 -0.606 18220 4161 1 9 . 1 1 11 11 ASP N N 2 120.536 120.536 119.264 1.272 18220 4162 1 9 . 1 1 11 11 ASP CA C 2 55.918 55.918 53.993 1.925 18220 4163 1 9 . 1 1 11 11 ASP CB C 2 37.959 37.959 42.289 -4.330 18220 4164 1 9 . 1 1 11 11 ASP H H 2 7.863 7.863 8.013 -0.150 18220 4165 1 9 . 1 1 12 12 LEU N N 3 121.414 121.414 121.007 0.407 18220 4166 1 9 . 1 1 12 12 LEU C C 3 176.162 176.162 175.841 0.321 18220 4167 1 9 . 1 1 12 12 LEU CA C 3 57.600 57.600 55.350 2.250 18220 4168 1 9 . 1 1 12 12 LEU CB C 3 41.657 41.657 42.508 -0.851 18220 4169 1 9 . 1 1 12 12 LEU H H 3 8.285 8.285 8.205 0.080 18220 4170 1 9 . 1 1 13 13 ILE N N 4 118.854 118.854 122.111 -3.257 18220 4171 1 9 . 1 1 13 13 ILE HA H 4 3.740 3.740 4.266 -0.526 18220 4172 1 9 . 1 1 13 13 ILE C C 4 175.228 175.228 175.407 -0.179 18220 4173 1 9 . 1 1 13 13 ILE CA C 4 64.500 64.500 61.106 3.394 18220 4174 1 9 . 1 1 13 13 ILE CB C 4 37.102 37.102 38.456 -1.354 18220 4175 1 9 . 1 1 13 13 ILE H H 4 8.031 8.031 8.310 -0.279 18220 4176 1 9 . 1 1 14 14 GLY N N 5 107.478 107.478 113.750 -6.272 18220 4177 1 9 . 1 1 14 14 GLY C C 5 174.424 174.424 174.950 -0.526 18220 4178 1 9 . 1 1 14 14 GLY CA C 5 47.059 47.059 44.374 2.685 18220 4179 1 9 . 1 1 14 14 GLY H H 5 8.148 8.148 8.198 -0.050 18220 4180 1 9 . 1 1 15 15 PHE N N 6 122.774 122.774 125.837 -3.063 18220 4181 1 9 . 1 1 15 15 PHE HA H 6 4.480 4.480 4.097 0.383 18220 4182 1 9 . 1 1 15 15 PHE C C 6 175.113 175.113 177.492 -2.379 18220 4183 1 9 . 1 1 15 15 PHE CA C 6 60.017 60.017 61.362 -1.345 18220 4184 1 9 . 1 1 15 15 PHE CB C 6 38.774 38.774 39.037 -0.263 18220 4185 1 9 . 1 1 15 15 PHE H H 6 8.194 8.194 8.887 -0.693 18220 4186 1 9 . 1 1 16 16 GLY N N 7 107.938 107.938 107.710 0.228 18220 4187 1 9 . 1 1 16 16 GLY C C 7 171.838 171.838 176.270 -4.432 18220 4188 1 9 . 1 1 16 16 GLY CA C 7 47.100 47.100 47.249 -0.149 18220 4189 1 9 . 1 1 16 16 GLY H H 7 8.697 8.697 8.427 0.270 18220 4190 1 9 . 1 1 17 17 TYR N N 8 121.785 121.785 123.780 -1.995 18220 4191 1 9 . 1 1 17 17 TYR HA H 8 4.150 4.150 4.077 0.073 18220 4192 1 9 . 1 1 17 17 TYR C C 8 174.180 174.180 177.010 -2.830 18220 4193 1 9 . 1 1 17 17 TYR CA C 8 61.300 61.300 61.004 0.296 18220 4194 1 9 . 1 1 17 17 TYR CB C 8 37.959 37.959 38.204 -0.245 18220 4195 1 9 . 1 1 17 17 TYR H H 8 8.710 8.710 7.740 0.970 18220 4196 1 9 . 1 1 18 18 ALA N N 9 120.233 120.233 120.880 -0.647 18220 4197 1 9 . 1 1 18 18 ALA HA H 9 3.950 3.950 3.956 -0.006 18220 4198 1 9 . 1 1 18 18 ALA C C 9 178.059 178.059 179.044 -0.985 18220 4199 1 9 . 1 1 18 18 ALA CA C 9 54.872 54.872 55.116 -0.244 18220 4200 1 9 . 1 1 18 18 ALA CB C 9 17.562 17.562 17.742 -0.180 18220 4201 1 9 . 1 1 18 18 ALA H H 9 7.843 7.843 8.330 -0.487 18220 4202 1 9 . 1 1 19 19 ALA N N 10 121.797 121.797 121.162 0.635 18220 4203 1 9 . 1 1 19 19 ALA HA H 10 3.950 3.950 4.226 -0.276 18220 4204 1 9 . 1 1 19 19 ALA C C 10 176.191 176.191 179.730 -3.539 18220 4205 1 9 . 1 1 19 19 ALA CA C 10 54.600 54.600 54.598 0.002 18220 4206 1 9 . 1 1 19 19 ALA CB C 10 17.562 17.562 18.404 -0.842 18220 4207 1 9 . 1 1 19 19 ALA H H 10 8.212 8.212 7.842 0.370 18220 4208 1 9 . 1 1 20 20 LEU N N 11 119.442 119.442 121.372 -1.930 18220 4209 1 9 . 1 1 20 20 LEU HA H 11 3.937 3.937 4.149 -0.212 18220 4210 1 9 . 1 1 20 20 LEU C C 11 176.694 176.694 178.330 -1.636 18220 4211 1 9 . 1 1 20 20 LEU CA C 11 57.800 57.800 58.081 -0.281 18220 4212 1 9 . 1 1 20 20 LEU CB C 11 41.222 41.222 42.010 -0.788 18220 4213 1 9 . 1 1 20 20 LEU H H 11 8.065 8.065 7.909 0.156 18220 4214 1 9 . 1 1 21 21 VAL N N 12 118.323 118.323 117.684 0.639 18220 4215 1 9 . 1 1 21 21 VAL HA H 12 3.640 3.640 3.410 0.230 18220 4216 1 9 . 1 1 21 21 VAL C C 12 176.536 176.536 177.608 -1.072 18220 4217 1 9 . 1 1 21 21 VAL CA C 12 65.400 65.400 66.528 -1.128 18220 4218 1 9 . 1 1 21 21 VAL CB C 12 31.135 31.135 31.281 -0.146 18220 4219 1 9 . 1 1 21 21 VAL H H 12 8.051 8.051 8.361 -0.310 18220 4220 1 9 . 1 1 22 22 THR N N 13 118.298 118.298 117.380 0.918 18220 4221 1 9 . 1 1 22 22 THR HA H 13 4.660 4.660 3.992 0.668 18220 4222 1 9 . 1 1 22 22 THR C C 13 173.734 173.734 176.209 -2.475 18220 4223 1 9 . 1 1 22 22 THR CA C 13 66.300 66.300 67.212 -0.912 18220 4224 1 9 . 1 1 22 22 THR CB C 13 67.775 67.775 68.497 -0.722 18220 4225 1 9 . 1 1 22 22 THR H H 13 7.944 7.944 7.868 0.076 18220 4226 1 9 . 1 1 23 23 PHE N N 14 121.328 121.328 121.059 0.269 18220 4227 1 9 . 1 1 23 23 PHE HA H 14 4.340 4.340 4.044 0.296 18220 4228 1 9 . 1 1 23 23 PHE C C 14 174.783 174.783 178.033 -3.250 18220 4229 1 9 . 1 1 23 23 PHE CA C 14 60.500 60.500 62.299 -1.799 18220 4230 1 9 . 1 1 23 23 PHE CB C 14 38.626 38.626 38.656 -0.030 18220 4231 1 9 . 1 1 23 23 PHE H H 14 8.567 8.567 8.255 0.312 18220 4232 1 9 . 1 1 24 24 GLY N N 15 106.871 106.871 105.534 1.337 18220 4233 1 9 . 1 1 24 24 GLY C C 15 172.858 172.858 175.982 -3.124 18220 4234 1 9 . 1 1 24 24 GLY CA C 15 46.900 46.900 47.188 -0.288 18220 4235 1 9 . 1 1 24 24 GLY H H 15 8.475 8.475 8.457 0.018 18220 4236 1 9 . 1 1 25 25 SER N N 16 116.214 116.214 117.621 -1.407 18220 4237 1 9 . 1 1 25 25 SER HA H 16 4.280 4.280 4.096 0.184 18220 4238 1 9 . 1 1 25 25 SER CA C 16 60.300 60.300 61.665 -1.365 18220 4239 1 9 . 1 1 25 25 SER CB C 16 62.879 62.879 63.144 -0.265 18220 4240 1 9 . 1 1 25 25 SER H H 16 7.963 7.963 8.086 -0.123 18220 4241 1 9 . 1 1 26 26 ILE N N 17 121.024 121.024 120.744 0.280 18220 4242 1 9 . 1 1 26 26 ILE HA H 17 3.946 3.946 3.577 0.369 18220 4243 1 9 . 1 1 26 26 ILE C C 17 173.935 173.935 178.470 -4.535 18220 4244 1 9 . 1 1 26 26 ILE CA C 17 63.100 63.100 63.930 -0.830 18220 4245 1 9 . 1 1 26 26 ILE CB C 17 38.107 38.107 36.774 1.333 18220 4246 1 9 . 1 1 26 26 ILE H H 17 7.676 7.676 8.363 -0.687 18220 4247 1 9 . 1 1 27 27 PHE N N 18 117.142 117.142 120.499 -3.357 18220 4248 1 9 . 1 1 27 27 PHE HA H 18 4.430 4.430 4.355 0.075 18220 4249 1 9 . 1 1 27 27 PHE C C 18 173.504 173.504 177.502 -3.998 18220 4250 1 9 . 1 1 27 27 PHE CA C 18 58.500 58.500 60.945 -2.445 18220 4251 1 9 . 1 1 27 27 PHE CB C 18 38.774 38.774 38.970 -0.196 18220 4252 1 9 . 1 1 27 27 PHE H H 18 7.703 7.703 8.355 -0.652 18220 4253 1 9 . 1 1 28 28 GLY N N 19 107.303 107.303 104.100 3.203 18220 4254 1 9 . 1 1 28 28 GLY C C 19 171.593 171.593 173.969 -2.376 18220 4255 1 9 . 1 1 28 28 GLY CA C 19 45.600 45.600 45.170 0.430 18220 4256 1 9 . 1 1 28 28 GLY H H 19 7.722 7.722 7.749 -0.027 18220 4257 1 9 . 1 1 29 29 TYR N N 20 119.862 119.862 118.720 1.142 18220 4258 1 9 . 1 1 29 29 TYR HA H 20 4.392 4.392 4.190 0.202 18220 4259 1 9 . 1 1 29 29 TYR C C 20 173.174 173.174 174.676 -1.502 18220 4260 1 9 . 1 1 29 29 TYR CA C 20 58.500 58.500 59.299 -0.799 18220 4261 1 9 . 1 1 29 29 TYR CB C 20 38.404 38.404 37.624 0.780 18220 4262 1 9 . 1 1 29 29 TYR H H 20 7.880 7.880 8.009 -0.129 18220 4263 1 9 . 1 1 30 30 LYS N N 21 122.335 122.335 127.892 -5.557 18220 4264 1 9 . 1 1 30 30 LYS HA H 21 4.390 4.390 4.567 -0.177 18220 4265 1 9 . 1 1 30 30 LYS C C 21 173.547 173.547 175.702 -2.155 18220 4266 1 9 . 1 1 30 30 LYS CA C 21 55.800 55.800 55.660 0.140 18220 4267 1 9 . 1 1 30 30 LYS CB C 21 32.396 32.396 33.334 -0.938 18220 4268 1 9 . 1 1 30 30 LYS H H 21 7.934 7.934 8.497 -0.563 18220 4269 1 9 . 1 1 31 31 ARG N N 22 120.612 120.612 120.767 -0.155 18220 4270 1 9 . 1 1 31 31 ARG C C 22 173.547 173.547 175.226 -1.679 18220 4271 1 9 . 1 1 31 31 ARG CA C 22 55.834 55.834 56.952 -1.117 18220 4272 1 9 . 1 1 31 31 ARG CB C 22 30.101 30.101 29.857 0.244 18220 4273 1 9 . 1 1 31 31 ARG H H 22 7.905 7.905 8.459 -0.554 18220 4274 1 9 . 1 1 32 32 ARG N N 23 121.748 121.748 121.823 -0.075 18220 4275 1 9 . 1 1 32 32 ARG HA H 23 4.310 4.310 4.372 -0.062 18220 4276 1 9 . 1 1 32 32 ARG C C 23 173.863 173.863 174.841 -0.978 18220 4277 1 9 . 1 1 32 32 ARG CA C 23 55.800 55.800 55.324 0.476 18220 4278 1 9 . 1 1 32 32 ARG CB C 23 30.245 30.245 32.477 -2.232 18220 4279 1 9 . 1 1 32 32 ARG H H 23 8.175 8.175 8.425 -0.250 18220 4280 1 9 . 1 1 33 33 GLY N N 24 109.528 109.528 108.602 0.926 18220 4281 1 9 . 1 1 33 33 GLY C C 24 171.752 171.752 173.558 -1.806 18220 4282 1 9 . 1 1 33 33 GLY CA C 24 44.900 44.900 44.249 0.651 18220 4283 1 9 . 1 1 33 33 GLY H H 24 8.264 8.264 8.163 0.101 18220 4284 1 9 . 1 1 34 34 GLY N N 25 108.563 108.563 107.868 0.695 18220 4285 1 9 . 1 1 34 34 GLY C C 25 171.701 171.701 174.467 -2.766 18220 4286 1 9 . 1 1 34 34 GLY CA C 25 44.600 44.600 45.184 -0.584 18220 4287 1 9 . 1 1 34 34 GLY H H 25 8.208 8.208 8.986 -0.778 18220 4288 1 9 . 1 1 35 35 VAL N N 26 121.164 121.164 120.604 0.560 18220 4289 1 9 . 1 1 35 35 VAL HA H 26 4.010 4.010 4.282 -0.272 18220 4290 1 9 . 1 1 35 35 VAL C C 26 175.888 175.888 173.751 2.137 18220 4291 1 9 . 1 1 35 35 VAL CA C 26 63.900 63.900 60.059 3.841 18220 4292 1 9 . 1 1 35 35 VAL CB C 26 30.690 30.690 34.354 -3.664 18220 4293 1 9 . 1 1 35 35 VAL H H 26 8.485 8.485 7.850 0.635 18220 4294 1 9 . 1 1 36 36 PRO C C 27 177.660 177.660 175.787 1.873 18220 4295 1 9 . 1 1 36 36 PRO CA C 27 61.847 61.847 63.532 -1.685 18220 4296 1 9 . 1 1 37 37 SER N N 28 116.023 116.023 116.576 -0.553 18220 4297 1 9 . 1 1 37 37 SER HA H 28 4.280 4.280 4.380 -0.100 18220 4298 1 9 . 1 1 37 37 SER CA C 28 61.100 61.100 58.810 2.289 18220 4299 1 9 . 1 1 37 37 SER H H 28 7.948 7.948 8.216 -0.268 18220 4300 1 9 . 1 1 38 38 LEU N N 29 124.029 124.029 124.977 -0.948 18220 4301 1 9 . 1 1 38 38 LEU HA H 29 4.170 4.170 4.048 0.122 18220 4302 1 9 . 1 1 38 38 LEU C C 29 176.132 176.132 177.854 -1.722 18220 4303 1 9 . 1 1 38 38 LEU CA C 29 57.500 57.500 58.065 -0.565 18220 4304 1 9 . 1 1 38 38 LEU CB C 29 42.038 42.038 42.019 0.019 18220 4305 1 9 . 1 1 38 38 LEU H H 29 8.201 8.201 8.287 -0.086 18220 4306 1 9 . 1 1 39 39 ILE N N 30 117.098 117.098 118.625 -1.527 18220 4307 1 9 . 1 1 39 39 ILE HA H 30 4.370 4.370 3.601 0.769 18220 4308 1 9 . 1 1 39 39 ILE C C 30 176.478 176.478 177.098 -0.620 18220 4309 1 9 . 1 1 39 39 ILE CA C 30 63.079 63.079 65.235 -2.156 18220 4310 1 9 . 1 1 39 39 ILE CB C 30 36.973 36.973 37.839 -0.866 18220 4311 1 9 . 1 1 39 39 ILE H H 30 7.662 7.662 7.675 -0.013 18220 4312 1 9 . 1 1 40 40 ALA N N 31 122.447 122.447 121.206 1.241 18220 4313 1 9 . 1 1 40 40 ALA HA H 31 4.034 4.034 4.155 -0.121 18220 4314 1 9 . 1 1 40 40 ALA C C 31 177.067 177.067 179.636 -2.569 18220 4315 1 9 . 1 1 40 40 ALA CA C 31 55.962 55.962 55.440 0.522 18220 4316 1 9 . 1 1 40 40 ALA CB C 31 17.856 17.856 17.604 0.252 18220 4317 1 9 . 1 1 40 40 ALA H H 31 8.096 8.096 8.061 0.035 18220 4318 1 9 . 1 1 41 41 GLY N N 32 104.056 104.056 106.858 -2.802 18220 4319 1 9 . 1 1 41 41 GLY C C 32 174.251 174.251 176.288 -2.037 18220 4320 1 9 . 1 1 41 41 GLY CA C 32 46.500 46.500 46.579 -0.079 18220 4321 1 9 . 1 1 41 41 GLY H H 32 8.123 8.123 7.582 0.541 18220 4322 1 9 . 1 1 42 42 LEU N N 33 123.250 123.250 122.788 0.462 18220 4323 1 9 . 1 1 42 42 LEU HA H 33 3.857 3.857 4.127 -0.270 18220 4324 1 9 . 1 1 42 42 LEU C C 33 176.033 176.033 178.070 -2.037 18220 4325 1 9 . 1 1 42 42 LEU CA C 33 56.668 56.668 57.447 -0.779 18220 4326 1 9 . 1 1 42 42 LEU CB C 33 41.721 41.721 42.061 -0.340 18220 4327 1 9 . 1 1 42 42 LEU H H 33 7.914 7.914 8.025 -0.111 18220 4328 1 9 . 1 1 43 43 PHE N N 34 119.757 119.757 120.026 -0.269 18220 4329 1 9 . 1 1 43 43 PHE HA H 34 4.200 4.200 4.166 0.034 18220 4330 1 9 . 1 1 43 43 PHE C C 34 174.374 174.374 177.603 -3.229 18220 4331 1 9 . 1 1 43 43 PHE CA C 34 59.876 59.876 61.818 -1.942 18220 4332 1 9 . 1 1 43 43 PHE CB C 34 38.834 38.834 39.224 -0.390 18220 4333 1 9 . 1 1 43 43 PHE H H 34 8.287 8.287 8.383 -0.096 18220 4334 1 9 . 1 1 44 44 VAL N N 35 117.791 117.791 115.598 2.193 18220 4335 1 9 . 1 1 44 44 VAL HA H 35 3.610 3.610 3.893 -0.283 18220 4336 1 9 . 1 1 44 44 VAL C C 35 176.205 176.205 178.134 -1.929 18220 4337 1 9 . 1 1 44 44 VAL CA C 35 64.559 64.559 66.505 -1.946 18220 4338 1 9 . 1 1 44 44 VAL CB C 35 31.432 31.432 31.075 0.357 18220 4339 1 9 . 1 1 44 44 VAL H H 35 8.235 8.235 8.634 -0.399 18220 4340 1 9 . 1 1 45 45 GLY N N 36 108.551 108.551 108.356 0.195 18220 4341 1 9 . 1 1 45 45 GLY C C 36 173.749 173.749 175.388 -1.639 18220 4342 1 9 . 1 1 45 45 GLY CA C 36 46.083 46.083 47.165 -1.082 18220 4343 1 9 . 1 1 45 45 GLY H H 36 8.178 8.178 8.480 -0.302 18220 4344 1 9 . 1 1 46 46 CYS N N 37 121.173 121.173 118.823 2.350 18220 4345 1 9 . 1 1 46 46 CYS HA H 37 4.180 4.180 4.170 0.010 18220 4346 1 9 . 1 1 46 46 CYS C C 37 173.710 173.710 176.558 -2.848 18220 4347 1 9 . 1 1 46 46 CYS CA C 37 63.000 63.000 63.020 -0.020 18220 4348 1 9 . 1 1 46 46 CYS CB C 37 60.283 60.283 28.092 32.191 18220 4349 1 9 . 1 1 46 46 CYS H H 37 8.253 8.253 8.086 0.167 18220 4350 1 9 . 1 1 47 47 LEU N N 38 120.283 120.283 122.620 -2.337 18220 4351 1 9 . 1 1 47 47 LEU HA H 38 4.060 4.060 4.120 -0.060 18220 4352 1 9 . 1 1 47 47 LEU C C 38 176.679 176.679 178.964 -2.285 18220 4353 1 9 . 1 1 47 47 LEU CA C 38 56.027 56.027 58.120 -2.093 18220 4354 1 9 . 1 1 47 47 LEU CB C 38 41.464 41.464 41.265 0.199 18220 4355 1 9 . 1 1 47 47 LEU H H 38 7.965 7.965 8.340 -0.375 18220 4356 1 9 . 1 1 48 48 ALA N N 39 122.249 122.249 119.905 2.344 18220 4357 1 9 . 1 1 48 48 ALA HA H 39 4.142 4.142 4.134 0.008 18220 4358 1 9 . 1 1 48 48 ALA C C 39 177.915 177.915 179.871 -1.956 18220 4359 1 9 . 1 1 48 48 ALA CA C 39 53.717 53.717 55.299 -1.582 18220 4360 1 9 . 1 1 48 48 ALA CB C 39 17.985 17.985 18.306 -0.321 18220 4361 1 9 . 1 1 48 48 ALA H H 39 8.066 8.066 8.667 -0.601 18220 4362 1 9 . 1 1 49 49 GLY N N 40 107.377 107.377 107.725 -0.348 18220 4363 1 9 . 1 1 49 49 GLY C C 40 172.527 172.527 175.425 -2.898 18220 4364 1 9 . 1 1 49 49 GLY CA C 40 45.450 45.450 46.967 -1.517 18220 4365 1 9 . 1 1 49 49 GLY H H 40 8.172 8.172 8.027 0.145 18220 4366 1 9 . 1 1 50 50 TYR N N 41 122.409 122.409 124.040 -1.631 18220 4367 1 9 . 1 1 50 50 TYR HA H 41 3.799 3.799 3.992 -0.193 18220 4368 1 9 . 1 1 50 50 TYR C C 41 174.208 174.208 178.302 -4.094 18220 4369 1 9 . 1 1 50 50 TYR CA C 41 59.245 59.245 60.937 -1.692 18220 4370 1 9 . 1 1 50 50 TYR CB C 41 37.936 37.936 38.280 -0.344 18220 4371 1 9 . 1 1 50 50 TYR H H 41 7.800 7.800 8.150 -0.350 18220 4372 1 9 . 1 1 51 51 GLY N N 42 106.935 106.935 105.784 1.151 18220 4373 1 9 . 1 1 51 51 GLY C C 42 172.642 172.642 175.684 -3.042 18220 4374 1 9 . 1 1 51 51 GLY CA C 42 46.265 46.265 46.974 -0.709 18220 4375 1 9 . 1 1 51 51 GLY H H 42 8.199 8.199 8.401 -0.202 18220 4376 1 9 . 1 1 52 52 ALA N N 43 123.018 123.018 125.380 -2.362 18220 4377 1 9 . 1 1 52 52 ALA HA H 43 4.150 4.150 4.006 0.144 18220 4378 1 9 . 1 1 52 52 ALA C C 43 176.398 176.398 179.532 -3.134 18220 4379 1 9 . 1 1 52 52 ALA CA C 43 52.883 52.883 54.637 -1.754 18220 4380 1 9 . 1 1 52 52 ALA CB C 43 18.241 18.241 18.473 -0.232 18220 4381 1 9 . 1 1 52 52 ALA H H 43 7.758 7.758 8.311 -0.553 18220 4382 1 9 . 1 1 53 53 TYR N N 44 119.664 119.664 119.486 0.178 18220 4383 1 9 . 1 1 53 53 TYR HA H 44 4.318 4.318 4.634 -0.316 18220 4384 1 9 . 1 1 53 53 TYR C C 44 174.180 174.180 176.318 -2.138 18220 4385 1 9 . 1 1 53 53 TYR CA C 44 58.593 58.593 60.066 -1.473 18220 4386 1 9 . 1 1 53 53 TYR CB C 44 38.192 38.192 38.724 -0.532 18220 4387 1 9 . 1 1 53 53 TYR H H 44 7.920 7.920 8.023 -0.103 18220 4388 1 9 . 1 1 54 54 ARG N N 45 119.516 119.516 118.978 0.538 18220 4389 1 9 . 1 1 54 54 ARG HA H 45 3.930 3.930 3.730 0.200 18220 4390 1 9 . 1 1 54 54 ARG C C 45 174.423 174.423 178.794 -4.371 18220 4391 1 9 . 1 1 54 54 ARG CA C 45 56.027 56.027 58.367 -2.340 18220 4392 1 9 . 1 1 54 54 ARG CB C 45 30.173 30.173 30.925 -0.752 18220 4393 1 9 . 1 1 54 54 ARG H H 45 7.956 7.956 7.837 0.119 18220 4394 1 9 . 1 1 55 55 VAL N N 46 116.437 116.437 115.874 0.563 18220 4395 1 9 . 1 1 55 55 VAL HA H 46 4.060 4.060 3.773 0.287 18220 4396 1 9 . 1 1 55 55 VAL C C 46 173.806 173.806 175.997 -2.191 18220 4397 1 9 . 1 1 55 55 VAL CA C 46 62.300 62.300 64.752 -2.452 18220 4398 1 9 . 1 1 55 55 VAL CB C 46 31.521 31.521 32.069 -0.548 18220 4399 1 9 . 1 1 55 55 VAL H H 46 7.489 7.489 8.494 -1.005 18220 4400 1 9 . 1 1 56 56 SER N N 47 117.185 117.185 111.863 5.322 18220 4401 1 9 . 1 1 56 56 SER HA H 47 4.401 4.401 4.421 -0.020 18220 4402 1 9 . 1 1 56 56 SER C C 47 172.074 172.074 172.320 -0.246 18220 4403 1 9 . 1 1 56 56 SER CA C 47 58.133 58.133 57.025 1.109 18220 4404 1 9 . 1 1 56 56 SER CB C 47 63.468 63.468 65.213 -1.745 18220 4405 1 9 . 1 1 56 56 SER H H 47 7.728 7.728 7.440 0.288 18220 4406 1 9 . 1 1 57 57 ASN N N 48 121.049 121.049 118.035 3.014 18220 4407 1 9 . 1 1 57 57 ASN HA H 48 4.590 4.590 4.340 0.250 18220 4408 1 9 . 1 1 57 57 ASN CA C 48 53.600 53.600 53.681 -0.081 18220 4409 1 9 . 1 1 57 57 ASN CB C 48 38.641 38.641 38.610 0.031 18220 4410 1 9 . 1 1 57 57 ASN H H 48 8.228 8.228 8.645 -0.417 18220 4411 1 9 . 1 1 58 58 ASP N N 49 120.276 120.276 119.101 1.175 18220 4412 1 9 . 1 1 58 58 ASP HA H 49 4.530 4.530 3.999 0.531 18220 4413 1 9 . 1 1 58 58 ASP CA C 49 54.202 54.202 56.267 -2.065 18220 4414 1 9 . 1 1 58 58 ASP CB C 49 40.374 40.374 41.197 -0.823 18220 4415 1 9 . 1 1 58 58 ASP H H 49 8.192 8.192 8.569 -0.377 18220 4416 1 9 . 1 1 59 59 LYS N N 50 120.660 120.660 115.993 4.667 18220 4417 1 9 . 1 1 59 59 LYS HA H 50 4.200 4.200 4.520 -0.320 18220 4418 1 9 . 1 1 59 59 LYS C C 50 173.474 173.474 174.980 -1.506 18220 4419 1 9 . 1 1 59 59 LYS CA C 50 56.300 56.300 55.875 0.425 18220 4420 1 9 . 1 1 59 59 LYS CB C 50 32.034 32.034 34.056 -2.022 18220 4421 1 9 . 1 1 59 59 LYS H H 50 8.003 8.003 7.561 0.442 18220 4422 1 9 . 1 1 60 60 ARG N N 51 121.278 121.278 120.086 1.192 18220 4423 1 9 . 1 1 60 60 ARG HA H 51 4.200 4.200 4.540 -0.340 18220 4424 1 9 . 1 1 60 60 ARG C C 51 173.303 173.303 175.412 -2.109 18220 4425 1 9 . 1 1 60 60 ARG CA C 51 56.283 56.283 55.497 0.786 18220 4426 1 9 . 1 1 60 60 ARG CB C 51 30.238 30.238 32.412 -2.174 18220 4427 1 9 . 1 1 60 60 ARG H H 51 8.091 8.091 8.483 -0.392 18220 4428 1 9 . 1 1 61 61 ASP N N 52 121.185 121.185 122.481 -1.296 18220 4429 1 9 . 1 1 61 61 ASP HA H 52 4.615 4.615 4.689 -0.074 18220 4430 1 9 . 1 1 61 61 ASP C C 52 173.777 173.777 176.013 -2.236 18220 4431 1 9 . 1 1 61 61 ASP CA C 52 53.979 53.979 53.633 0.346 18220 4432 1 9 . 1 1 61 61 ASP CB C 52 40.245 40.245 40.003 0.242 18220 4433 1 9 . 1 1 61 61 ASP H H 52 8.261 8.261 8.627 -0.366 18220 4434 1 9 . 1 1 62 62 VAL N N 53 121.902 121.902 120.146 1.756 18220 4435 1 9 . 1 1 62 62 VAL HA H 53 3.950 3.950 3.648 0.302 18220 4436 1 9 . 1 1 62 62 VAL C C 53 173.279 173.279 175.626 -2.347 18220 4437 1 9 . 1 1 62 62 VAL CA C 53 63.176 63.176 63.108 0.067 18220 4438 1 9 . 1 1 62 62 VAL CB C 53 32.099 32.099 30.705 1.394 18220 4439 1 9 . 1 1 62 62 VAL H H 53 7.997 7.997 7.953 0.044 18220 4440 1 9 . 1 1 63 63 LYS N N 54 123.522 123.522 122.161 1.361 18220 4441 1 9 . 1 1 63 63 LYS HA H 54 4.260 4.260 4.195 0.065 18220 4442 1 9 . 1 1 63 63 LYS C C 54 174.481 174.481 178.052 -3.571 18220 4443 1 9 . 1 1 63 63 LYS CA C 54 56.347 56.347 59.104 -2.757 18220 4444 1 9 . 1 1 63 63 LYS CB C 54 32.099 32.099 32.657 -0.558 18220 4445 1 9 . 1 1 63 63 LYS H H 54 8.054 8.054 8.252 -0.198 18220 4446 1 9 . 1 1 64 64 VAL N N 55 120.647 120.647 117.988 2.659 18220 4447 1 9 . 1 1 64 64 VAL HA H 55 3.947 3.947 3.689 0.258 18220 4448 1 9 . 1 1 64 64 VAL C C 55 174.955 174.955 177.970 -3.015 18220 4449 1 9 . 1 1 64 64 VAL CA C 55 64.600 64.600 65.819 -1.219 18220 4450 1 9 . 1 1 64 64 VAL CB C 55 31.877 31.877 30.990 0.887 18220 4451 1 9 . 1 1 64 64 VAL H H 55 8.225 8.225 8.052 0.173 18220 4452 1 9 . 1 1 65 65 SER N N 56 117.785 117.785 114.837 2.948 18220 4453 1 9 . 1 1 65 65 SER HA H 56 4.390 4.390 4.219 0.171 18220 4454 1 9 . 1 1 65 65 SER C C 56 172.300 172.300 176.855 -4.555 18220 4455 1 9 . 1 1 65 65 SER CA C 56 60.000 60.000 61.682 -1.682 18220 4456 1 9 . 1 1 65 65 SER CB C 56 62.879 62.879 62.502 0.377 18220 4457 1 9 . 1 1 65 65 SER H H 56 8.260 8.260 8.411 -0.151 18220 4458 1 9 . 1 1 66 66 LEU N N 57 123.318 123.318 122.039 1.279 18220 4459 1 9 . 1 1 66 66 LEU HA H 57 4.090 4.090 4.085 0.005 18220 4460 1 9 . 1 1 66 66 LEU C C 57 175.932 175.932 178.946 -3.014 18220 4461 1 9 . 1 1 66 66 LEU CA C 57 57.502 57.502 57.842 -0.340 18220 4462 1 9 . 1 1 66 66 LEU CB C 57 41.721 41.721 41.953 -0.232 18220 4463 1 9 . 1 1 66 66 LEU H H 57 8.091 8.091 7.824 0.267 18220 4464 1 9 . 1 1 67 67 PHE N N 58 118.020 118.020 119.378 -1.358 18220 4465 1 9 . 1 1 67 67 PHE HA H 58 4.330 4.330 4.301 0.029 18220 4466 1 9 . 1 1 67 67 PHE C C 58 174.912 174.912 177.678 -2.766 18220 4467 1 9 . 1 1 67 67 PHE CA C 58 60.600 60.600 61.203 -0.603 18220 4468 1 9 . 1 1 67 67 PHE CB C 58 38.552 38.552 38.785 -0.233 18220 4469 1 9 . 1 1 67 67 PHE H H 58 8.066 8.066 8.478 -0.412 18220 4470 1 9 . 1 1 68 68 THR N N 59 115.324 115.324 117.330 -2.006 18220 4471 1 9 . 1 1 68 68 THR HA H 59 4.310 4.310 4.006 0.304 18220 4472 1 9 . 1 1 68 68 THR C C 59 173.380 173.380 176.255 -2.875 18220 4473 1 9 . 1 1 68 68 THR CA C 59 66.313 66.313 68.053 -1.740 18220 4474 1 9 . 1 1 68 68 THR CB C 59 67.700 67.700 68.758 -1.058 18220 4475 1 9 . 1 1 68 68 THR H H 59 8.287 8.287 8.292 -0.005 18220 4476 1 9 . 1 1 69 69 ALA N N 60 123.621 123.621 124.683 -1.062 18220 4477 1 9 . 1 1 69 69 ALA HA H 60 4.280 4.280 4.174 0.106 18220 4478 1 9 . 1 1 69 69 ALA C C 60 176.978 176.978 179.224 -2.246 18220 4479 1 9 . 1 1 69 69 ALA CA C 60 55.100 55.100 55.112 -0.012 18220 4480 1 9 . 1 1 69 69 ALA CB C 60 17.728 17.728 18.168 -0.440 18220 4481 1 9 . 1 1 69 69 ALA H H 60 7.983 7.983 8.440 -0.457 18220 4482 1 9 . 1 1 70 70 PHE N N 61 118.520 118.520 119.651 -1.131 18220 4483 1 9 . 1 1 70 70 PHE HA H 61 4.260 4.260 4.091 0.169 18220 4484 1 9 . 1 1 70 70 PHE C C 61 175.369 175.369 176.990 -1.621 18220 4485 1 9 . 1 1 70 70 PHE CA C 61 60.179 60.179 62.374 -2.195 18220 4486 1 9 . 1 1 70 70 PHE CB C 61 38.706 38.706 39.363 -0.657 18220 4487 1 9 . 1 1 70 70 PHE H H 61 8.007 8.007 8.430 -0.423 18220 4488 1 9 . 1 1 71 71 PHE N N 62 122.314 122.314 119.671 2.643 18220 4489 1 9 . 1 1 71 71 PHE HA H 62 4.000 4.000 4.083 -0.083 18220 4490 1 9 . 1 1 71 71 PHE C C 62 174.697 174.697 177.608 -2.911 18220 4491 1 9 . 1 1 71 71 PHE CA C 62 60.517 60.517 62.039 -1.522 18220 4492 1 9 . 1 1 71 71 PHE CB C 62 38.770 38.770 38.940 -0.170 18220 4493 1 9 . 1 1 71 71 PHE H H 62 8.546 8.546 8.240 0.306 18220 4494 1 9 . 1 1 72 72 LEU N N 63 119.399 119.399 120.340 -0.941 18220 4495 1 9 . 1 1 72 72 LEU HA H 63 3.870 3.870 3.772 0.098 18220 4496 1 9 . 1 1 72 72 LEU C C 63 175.774 175.774 178.299 -2.525 18220 4497 1 9 . 1 1 72 72 LEU CA C 63 56.925 56.925 58.343 -1.418 18220 4498 1 9 . 1 1 72 72 LEU CB C 63 41.207 41.207 41.930 -0.723 18220 4499 1 9 . 1 1 72 72 LEU H H 63 8.396 8.396 8.540 -0.144 18220 4500 1 9 . 1 1 73 73 ALA N N 64 120.221 120.221 120.609 -0.388 18220 4501 1 9 . 1 1 73 73 ALA HA H 64 3.960 3.960 3.782 0.178 18220 4502 1 9 . 1 1 73 73 ALA C C 64 177.267 177.267 179.451 -2.184 18220 4503 1 9 . 1 1 73 73 ALA CA C 64 54.600 54.600 55.366 -0.766 18220 4504 1 9 . 1 1 73 73 ALA CB C 64 17.784 17.784 17.868 -0.084 18220 4505 1 9 . 1 1 73 73 ALA H H 64 8.025 8.025 8.314 -0.289 18220 4506 1 9 . 1 1 74 74 THR N N 65 113.648 113.648 113.046 0.602 18220 4507 1 9 . 1 1 74 74 THR HA H 65 3.980 3.980 3.888 0.092 18220 4508 1 9 . 1 1 74 74 THR CA C 65 66.291 66.291 66.094 0.197 18220 4509 1 9 . 1 1 74 74 THR CB C 65 67.914 67.914 68.838 -0.924 18220 4510 1 9 . 1 1 74 74 THR H H 65 7.717 7.717 8.020 -0.303 18220 4511 1 9 . 1 1 75 75 ILE N N 66 120.291 120.291 119.649 0.642 18220 4512 1 9 . 1 1 75 75 ILE HA H 66 3.740 3.740 3.638 0.102 18220 4513 1 9 . 1 1 75 75 ILE C C 66 174.951 174.951 176.783 -1.832 18220 4514 1 9 . 1 1 75 75 ILE CA C 66 64.880 64.880 63.645 1.235 18220 4515 1 9 . 1 1 75 75 ILE CB C 66 37.166 37.166 38.133 -0.967 18220 4516 1 9 . 1 1 75 75 ILE H H 66 7.738 7.738 7.651 0.087 18220 4517 1 9 . 1 1 76 76 MET N N 67 117.618 117.618 118.455 -0.837 18220 4518 1 9 . 1 1 76 76 MET HA H 67 4.220 4.220 4.468 -0.248 18220 4519 1 9 . 1 1 76 76 MET C C 67 175.142 175.142 176.832 -1.690 18220 4520 1 9 . 1 1 76 76 MET CA C 67 56.723 56.723 56.301 0.422 18220 4521 1 9 . 1 1 76 76 MET CB C 67 31.951 31.951 33.961 -2.010 18220 4522 1 9 . 1 1 76 76 MET H H 67 7.823 7.823 7.925 -0.102 18220 4523 1 9 . 1 1 77 77 GLY N N 68 107.110 107.110 107.723 -0.613 18220 4524 1 9 . 1 1 77 77 GLY C C 68 172.260 172.260 174.053 -1.793 18220 4525 1 9 . 1 1 77 77 GLY CA C 68 45.800 45.800 44.624 1.176 18220 4526 1 9 . 1 1 77 77 GLY H H 68 7.937 7.937 8.367 -0.430 18220 4527 1 9 . 1 1 78 78 VAL N N 69 120.431 120.431 115.396 5.035 18220 4528 1 9 . 1 1 78 78 VAL HA H 69 4.220 4.220 3.590 0.630 18220 4529 1 9 . 1 1 78 78 VAL CA C 69 63.900 63.900 63.605 0.295 18220 4530 1 9 . 1 1 78 78 VAL CB C 69 31.506 31.506 30.484 1.022 18220 4531 1 9 . 1 1 78 78 VAL H H 69 7.697 7.697 8.265 -0.568 18220 4532 1 9 . 1 1 79 79 ARG N N 70 121.420 121.420 121.856 -0.436 18220 4533 1 9 . 1 1 79 79 ARG HA H 70 3.810 3.810 4.512 -0.702 18220 4534 1 9 . 1 1 79 79 ARG CA C 70 56.400 56.400 55.178 1.222 18220 4535 1 9 . 1 1 79 79 ARG CB C 70 30.097 30.097 32.096 -1.998 18220 4536 1 9 . 1 1 79 79 ARG H H 70 7.889 7.889 7.685 0.204 18220 4537 1 9 . 1 1 80 80 PHE N N 71 119.949 119.949 117.135 2.814 18220 4538 1 9 . 1 1 80 80 PHE HA H 71 4.510 4.510 4.189 0.321 18220 4539 1 9 . 1 1 80 80 PHE CA C 71 58.600 58.600 58.744 -0.144 18220 4540 1 9 . 1 1 80 80 PHE CB C 71 39.145 39.145 39.252 -0.107 18220 4541 1 9 . 1 1 80 80 PHE H H 71 8.101 8.101 8.267 -0.166 18220 4542 1 9 . 1 1 81 81 LYS N N 72 122.193 122.193 121.789 0.404 18220 4543 1 9 . 1 1 81 81 LYS CA C 72 56.800 56.800 55.974 0.826 18220 4544 1 9 . 1 1 81 81 LYS CB C 72 32.322 32.322 31.928 0.394 18220 4545 1 9 . 1 1 81 81 LYS H H 72 8.090 8.090 7.042 1.048 18220 4546 1 9 . 1 1 82 82 ARG N N 73 119.650 119.650 119.885 -0.235 18220 4547 1 9 . 1 1 82 82 ARG CA C 73 56.089 56.089 56.322 -0.233 18220 4548 1 9 . 1 1 82 82 ARG CB C 73 30.171 30.171 31.415 -1.244 18220 4549 1 9 . 1 1 82 82 ARG H H 73 8.052 8.052 8.159 -0.107 18220 4550 1 9 . 1 1 83 83 SER N N 74 115.734 115.734 115.384 0.350 18220 4551 1 9 . 1 1 83 83 SER CA C 74 58.355 58.355 57.569 0.786 18220 4552 1 9 . 1 1 83 83 SER CB C 74 63.404 63.404 64.766 -1.362 18220 4553 1 9 . 1 1 83 83 SER H H 74 7.912 7.912 8.375 -0.463 18220 4554 1 9 . 1 1 84 84 LYS N N 75 122.370 122.370 125.087 -2.717 18220 4555 1 9 . 1 1 84 84 LYS CA C 75 56.135 56.135 58.822 -2.687 18220 4556 1 9 . 1 1 84 84 LYS CB C 75 32.175 32.175 33.003 -0.828 18220 4557 1 9 . 1 1 84 84 LYS H H 75 8.067 8.067 8.673 -0.606 18220 4558 1 9 . 1 1 86 86 ILE N N 77 119.592 119.592 119.306 0.286 18220 4559 1 9 . 1 1 86 86 ILE HA H 77 3.810 3.810 3.833 -0.023 18220 4560 1 9 . 1 1 86 86 ILE CA C 77 64.900 64.900 61.571 3.329 18220 4561 1 9 . 1 1 86 86 ILE CB C 77 39.145 39.145 37.850 1.295 18220 4562 1 9 . 1 1 86 86 ILE H H 77 7.837 7.837 8.163 -0.326 18220 4563 1 9 . 1 1 87 87 MET N N 78 121.645 121.645 124.649 -3.004 18220 4564 1 9 . 1 1 87 87 MET CA C 78 52.982 52.982 55.191 -2.209 18220 4565 1 9 . 1 1 87 87 MET CB C 78 32.173 32.173 32.780 -0.607 18220 4566 1 9 . 1 1 87 87 MET H H 78 7.950 7.950 8.239 -0.289 18220 4567 1 9 . 1 1 88 88 PRO HA H 79 4.140 4.140 3.716 0.424 18220 4568 1 9 . 1 1 88 88 PRO C C 79 173.921 173.921 175.789 -1.868 18220 4569 1 9 . 1 1 88 88 PRO CA C 79 62.800 62.800 62.276 0.524 18220 4570 1 9 . 1 1 88 88 PRO CB C 79 31.136 31.136 31.323 -0.188 18220 4571 1 9 . 1 1 89 89 ALA N N 80 124.431 124.431 128.461 -4.030 18220 4572 1 9 . 1 1 89 89 ALA HA H 80 4.400 4.400 3.928 0.472 18220 4573 1 9 . 1 1 89 89 ALA C C 80 176.234 176.234 179.247 -3.013 18220 4574 1 9 . 1 1 89 89 ALA CA C 80 53.300 53.300 55.058 -1.758 18220 4575 1 9 . 1 1 89 89 ALA CB C 80 18.498 18.498 18.383 0.115 18220 4576 1 9 . 1 1 89 89 ALA H H 80 8.320 8.320 8.045 0.275 18220 4577 1 9 . 1 1 90 90 GLY N N 81 106.834 106.834 107.818 -0.984 18220 4578 1 9 . 1 1 90 90 GLY C C 81 172.398 172.398 176.276 -3.878 18220 4579 1 9 . 1 1 90 90 GLY CA C 81 45.600 45.600 47.229 -1.629 18220 4580 1 9 . 1 1 90 90 GLY H H 81 8.458 8.458 8.328 0.130 18220 4581 1 9 . 1 1 91 91 LEU N N 82 121.043 121.043 122.553 -1.510 18220 4582 1 9 . 1 1 91 91 LEU HA H 82 4.200 4.200 4.089 0.111 18220 4583 1 9 . 1 1 91 91 LEU C C 82 174.783 174.783 178.862 -4.079 18220 4584 1 9 . 1 1 91 91 LEU CA C 82 56.300 56.300 57.790 -1.490 18220 4585 1 9 . 1 1 91 91 LEU CB C 82 42.106 42.106 41.410 0.696 18220 4586 1 9 . 1 1 91 91 LEU H H 82 7.687 7.687 8.025 -0.338 18220 4587 1 9 . 1 1 92 92 VAL N N 83 114.737 114.737 118.143 -3.406 18220 4588 1 9 . 1 1 92 92 VAL HA H 83 3.980 3.980 3.565 0.415 18220 4589 1 9 . 1 1 92 92 VAL C C 83 173.634 173.634 177.865 -4.231 18220 4590 1 9 . 1 1 92 92 VAL CA C 83 62.400 62.400 66.053 -3.653 18220 4591 1 9 . 1 1 92 92 VAL CB C 83 31.585 31.585 30.691 0.894 18220 4592 1 9 . 1 1 92 92 VAL H H 83 7.602 7.602 7.881 -0.279 18220 4593 1 9 . 1 1 93 93 ALA N N 84 124.320 124.320 121.698 2.622 18220 4594 1 9 . 1 1 93 93 ALA HA H 84 4.150 4.150 4.152 -0.002 18220 4595 1 9 . 1 1 93 93 ALA C C 84 175.746 175.746 179.812 -4.066 18220 4596 1 9 . 1 1 93 93 ALA CA C 84 53.300 53.300 55.167 -1.867 18220 4597 1 9 . 1 1 93 93 ALA CB C 84 18.241 18.241 18.178 0.062 18220 4598 1 9 . 1 1 93 93 ALA H H 84 7.891 7.891 8.203 -0.312 18220 4599 1 9 . 1 1 94 94 GLY N N 85 106.807 106.807 108.512 -1.705 18220 4600 1 9 . 1 1 94 94 GLY C C 85 171.752 171.752 175.960 -4.208 18220 4601 1 9 . 1 1 94 94 GLY CA C 85 45.249 45.249 46.804 -1.555 18220 4602 1 9 . 1 1 94 94 GLY H H 85 8.204 8.204 8.087 0.117 18220 4603 1 9 . 1 1 95 95 LEU N N 86 121.266 121.266 123.206 -1.940 18220 4604 1 9 . 1 1 95 95 LEU HA H 86 4.380 4.380 4.070 0.310 18220 4605 1 9 . 1 1 95 95 LEU C C 86 173.702 173.702 178.790 -5.088 18220 4606 1 9 . 1 1 95 95 LEU CA C 86 55.000 55.000 57.807 -2.807 18220 4607 1 9 . 1 1 95 95 LEU CB C 86 42.298 42.298 41.224 1.073 18220 4608 1 9 . 1 1 95 95 LEU H H 86 7.718 7.718 8.544 -0.826 18220 4609 1 9 . 1 1 96 96 SER N N 87 115.658 115.658 115.242 0.416 18220 4610 1 9 . 1 1 96 96 SER HA H 87 4.370 4.370 4.125 0.245 18220 4611 1 9 . 1 1 96 96 SER C C 87 172.479 172.479 176.535 -4.056 18220 4612 1 9 . 1 1 96 96 SER CA C 87 57.200 57.200 61.966 -4.766 18220 4613 1 9 . 1 1 96 96 SER CB C 87 64.174 64.174 63.065 1.109 18220 4614 1 9 . 1 1 96 96 SER H H 87 7.659 7.659 8.045 -0.386 18220 4615 1 9 . 1 1 97 97 LEU N N 88 123.720 123.720 123.290 0.430 18220 4616 1 9 . 1 1 97 97 LEU HA H 88 4.600 4.600 3.918 0.682 18220 4617 1 9 . 1 1 97 97 LEU C C 88 175.932 175.932 178.518 -2.586 18220 4618 1 9 . 1 1 97 97 LEU CA C 88 57.600 57.600 58.258 -0.658 18220 4619 1 9 . 1 1 97 97 LEU CB C 88 41.400 41.400 41.955 -0.554 18220 4620 1 9 . 1 1 97 97 LEU H H 88 8.733 8.733 7.969 0.764 18220 4621 1 9 . 1 1 98 98 MET N N 89 116.684 116.684 117.777 -1.093 18220 4622 1 9 . 1 1 98 98 MET HA H 89 4.280 4.280 3.994 0.286 18220 4623 1 9 . 1 1 98 98 MET C C 89 175.789 175.789 178.619 -2.830 18220 4624 1 9 . 1 1 98 98 MET CA C 89 56.915 56.915 58.903 -1.988 18220 4625 1 9 . 1 1 98 98 MET CB C 89 31.007 31.007 32.145 -1.138 18220 4626 1 9 . 1 1 98 98 MET H H 89 8.342 8.342 8.159 0.183 18220 4627 1 9 . 1 1 99 99 MET N N 90 119.182 119.182 120.104 -0.922 18220 4628 1 9 . 1 1 99 99 MET HA H 90 4.110 4.110 4.035 0.075 18220 4629 1 9 . 1 1 99 99 MET C C 90 175.588 175.588 178.698 -3.110 18220 4630 1 9 . 1 1 99 99 MET CA C 90 57.951 57.951 59.214 -1.262 18220 4631 1 9 . 1 1 99 99 MET CB C 90 32.226 32.226 32.540 -0.314 18220 4632 1 9 . 1 1 99 99 MET H H 90 7.720 7.720 8.066 -0.346 18220 4633 1 9 . 1 1 100 100 ILE N N 91 119.077 119.077 119.971 -0.894 18220 4634 1 9 . 1 1 100 100 ILE HA H 91 4.110 4.110 3.652 0.458 18220 4635 1 9 . 1 1 100 100 ILE C C 91 174.634 174.634 178.296 -3.662 18220 4636 1 9 . 1 1 100 100 ILE CA C 91 64.100 64.100 65.042 -0.942 18220 4637 1 9 . 1 1 100 100 ILE CB C 91 37.143 37.143 36.937 0.206 18220 4638 1 9 . 1 1 100 100 ILE H H 91 7.662 7.662 8.595 -0.933 18220 4639 1 9 . 1 1 101 101 LEU N N 92 119.646 119.646 118.917 0.729 18220 4640 1 9 . 1 1 101 101 LEU HA H 92 4.530 4.530 3.971 0.559 18220 4641 1 9 . 1 1 101 101 LEU C C 92 175.430 175.430 179.730 -4.300 18220 4642 1 9 . 1 1 101 101 LEU CA C 92 57.800 57.800 57.790 0.010 18220 4643 1 9 . 1 1 101 101 LEU CB C 92 40.758 40.758 40.699 0.059 18220 4644 1 9 . 1 1 101 101 LEU H H 92 8.142 8.142 8.242 -0.100 18220 4645 1 9 . 1 1 102 102 ARG N N 93 116.394 116.394 118.925 -2.531 18220 4646 1 9 . 1 1 102 102 ARG HA H 93 4.140 4.140 3.996 0.144 18220 4647 1 9 . 1 1 102 102 ARG C C 93 175.961 175.961 178.192 -2.231 18220 4648 1 9 . 1 1 102 102 ARG CA C 93 59.100 59.100 58.689 0.411 18220 4649 1 9 . 1 1 102 102 ARG CB C 93 29.404 29.404 29.935 -0.531 18220 4650 1 9 . 1 1 102 102 ARG H H 93 7.893 7.893 8.030 -0.137 18220 4651 1 9 . 1 1 103 103 LEU N N 94 119.114 119.114 120.803 -1.689 18220 4652 1 9 . 1 1 103 103 LEU HA H 94 4.110 4.110 3.990 0.120 18220 4653 1 9 . 1 1 103 103 LEU C C 94 175.889 175.889 178.917 -3.028 18220 4654 1 9 . 1 1 103 103 LEU CA C 94 57.300 57.300 58.564 -1.264 18220 4655 1 9 . 1 1 103 103 LEU CB C 94 41.296 41.296 41.777 -0.481 18220 4656 1 9 . 1 1 103 103 LEU H H 94 7.622 7.622 8.037 -0.415 18220 4657 1 9 . 1 1 104 104 VAL N N 95 117.704 117.704 116.186 1.518 18220 4658 1 9 . 1 1 104 104 VAL HA H 95 3.530 3.530 3.601 -0.071 18220 4659 1 9 . 1 1 104 104 VAL C C 95 175.042 175.042 178.010 -2.968 18220 4660 1 9 . 1 1 104 104 VAL CA C 95 66.419 66.419 65.684 0.735 18220 4661 1 9 . 1 1 104 104 VAL CB C 95 31.357 31.357 30.612 0.745 18220 4662 1 9 . 1 1 104 104 VAL H H 95 8.026 8.026 7.573 0.453 18220 4663 1 9 . 1 1 105 105 LEU N N 96 117.185 117.185 120.636 -3.451 18220 4664 1 9 . 1 1 105 105 LEU HA H 96 3.980 3.980 3.966 0.014 18220 4665 1 9 . 1 1 105 105 LEU C C 96 176.579 176.579 179.042 -2.463 18220 4666 1 9 . 1 1 105 105 LEU CA C 96 56.800 56.800 57.889 -1.089 18220 4667 1 9 . 1 1 105 105 LEU CB C 96 40.951 40.951 40.816 0.135 18220 4668 1 9 . 1 1 105 105 LEU H H 96 7.893 7.893 7.565 0.328 18220 4669 1 9 . 1 1 106 106 LEU N N 97 118.471 118.471 119.857 -1.386 18220 4670 1 9 . 1 1 106 106 LEU HA H 97 4.180 4.180 3.987 0.193 18220 4671 1 9 . 1 1 106 106 LEU C C 97 175.802 175.802 178.487 -2.685 18220 4672 1 9 . 1 1 106 106 LEU CA C 97 56.300 56.300 57.513 -1.213 18220 4673 1 9 . 1 1 106 106 LEU CB C 97 41.592 41.592 42.019 -0.427 18220 4674 1 9 . 1 1 106 106 LEU H H 97 7.545 7.545 7.720 -0.175 18220 4675 1 9 . 1 1 107 107 LEU N N 98 118.162 118.162 119.063 -0.901 18220 4676 1 9 . 1 1 107 107 LEU HA H 98 4.230 4.230 4.087 0.143 18220 4677 1 9 . 1 1 107 107 LEU C C 98 174.174 174.174 177.786 -3.612 18220 4678 1 9 . 1 1 107 107 LEU CA C 98 56.283 56.283 56.916 -0.632 18220 4679 1 9 . 1 1 107 107 LEU CB C 98 42.362 42.362 42.450 -0.089 18220 4680 1 9 . 1 1 107 107 LEU H H 98 7.688 7.688 7.818 -0.130 18220 4681 1 10 . 1 1 11 11 ASP N N 2 120.536 120.536 122.861 -2.325 18220 4682 1 10 . 1 1 11 11 ASP CA C 2 55.918 55.918 53.439 2.479 18220 4683 1 10 . 1 1 11 11 ASP CB C 2 37.959 37.959 42.821 -4.862 18220 4684 1 10 . 1 1 11 11 ASP H H 2 7.863 7.863 8.802 -0.939 18220 4685 1 10 . 1 1 12 12 LEU N N 3 121.414 121.414 121.027 0.387 18220 4686 1 10 . 1 1 12 12 LEU C C 3 176.162 176.162 175.962 0.200 18220 4687 1 10 . 1 1 12 12 LEU CA C 3 57.600 57.600 53.939 3.661 18220 4688 1 10 . 1 1 12 12 LEU CB C 3 41.657 41.657 44.010 -2.353 18220 4689 1 10 . 1 1 12 12 LEU H H 3 8.285 8.285 8.712 -0.427 18220 4690 1 10 . 1 1 13 13 ILE N N 4 118.854 118.854 120.129 -1.275 18220 4691 1 10 . 1 1 13 13 ILE HA H 4 3.740 3.740 4.255 -0.515 18220 4692 1 10 . 1 1 13 13 ILE C C 4 175.228 175.228 175.485 -0.257 18220 4693 1 10 . 1 1 13 13 ILE CA C 4 64.500 64.500 60.788 3.712 18220 4694 1 10 . 1 1 13 13 ILE CB C 4 37.102 37.102 40.569 -3.467 18220 4695 1 10 . 1 1 13 13 ILE H H 4 8.031 8.031 8.209 -0.178 18220 4696 1 10 . 1 1 14 14 GLY N N 5 107.478 107.478 111.961 -4.483 18220 4697 1 10 . 1 1 14 14 GLY C C 5 174.424 174.424 175.024 -0.600 18220 4698 1 10 . 1 1 14 14 GLY CA C 5 47.059 47.059 44.682 2.377 18220 4699 1 10 . 1 1 14 14 GLY H H 5 8.148 8.148 8.324 -0.176 18220 4700 1 10 . 1 1 15 15 PHE N N 6 122.774 122.774 121.232 1.542 18220 4701 1 10 . 1 1 15 15 PHE HA H 6 4.480 4.480 4.386 0.094 18220 4702 1 10 . 1 1 15 15 PHE C C 6 175.113 175.113 177.461 -2.348 18220 4703 1 10 . 1 1 15 15 PHE CA C 6 60.017 60.017 59.806 0.211 18220 4704 1 10 . 1 1 15 15 PHE CB C 6 38.774 38.774 39.248 -0.474 18220 4705 1 10 . 1 1 15 15 PHE H H 6 8.194 8.194 8.715 -0.521 18220 4706 1 10 . 1 1 16 16 GLY N N 7 107.938 107.938 107.640 0.298 18220 4707 1 10 . 1 1 16 16 GLY C C 7 171.838 171.838 175.889 -4.051 18220 4708 1 10 . 1 1 16 16 GLY CA C 7 47.100 47.100 47.557 -0.457 18220 4709 1 10 . 1 1 16 16 GLY H H 7 8.697 8.697 8.593 0.104 18220 4710 1 10 . 1 1 17 17 TYR N N 8 121.785 121.785 122.425 -0.640 18220 4711 1 10 . 1 1 17 17 TYR HA H 8 4.150 4.150 4.094 0.056 18220 4712 1 10 . 1 1 17 17 TYR C C 8 174.180 174.180 177.876 -3.696 18220 4713 1 10 . 1 1 17 17 TYR CA C 8 61.300 61.300 61.336 -0.036 18220 4714 1 10 . 1 1 17 17 TYR CB C 8 37.959 37.959 38.090 -0.132 18220 4715 1 10 . 1 1 17 17 TYR H H 8 8.710 8.710 8.342 0.368 18220 4716 1 10 . 1 1 18 18 ALA N N 9 120.233 120.233 120.457 -0.224 18220 4717 1 10 . 1 1 18 18 ALA HA H 9 3.950 3.950 3.875 0.075 18220 4718 1 10 . 1 1 18 18 ALA C C 9 178.059 178.059 178.659 -0.600 18220 4719 1 10 . 1 1 18 18 ALA CA C 9 54.872 54.872 54.913 -0.041 18220 4720 1 10 . 1 1 18 18 ALA CB C 9 17.562 17.562 17.714 -0.152 18220 4721 1 10 . 1 1 18 18 ALA H H 9 7.843 7.843 8.218 -0.375 18220 4722 1 10 . 1 1 19 19 ALA N N 10 121.797 121.797 120.632 1.165 18220 4723 1 10 . 1 1 19 19 ALA HA H 10 3.950 3.950 4.005 -0.055 18220 4724 1 10 . 1 1 19 19 ALA C C 10 176.191 176.191 179.696 -3.505 18220 4725 1 10 . 1 1 19 19 ALA CA C 10 54.600 54.600 54.406 0.194 18220 4726 1 10 . 1 1 19 19 ALA CB C 10 17.562 17.562 18.010 -0.448 18220 4727 1 10 . 1 1 19 19 ALA H H 10 8.212 8.212 7.553 0.659 18220 4728 1 10 . 1 1 20 20 LEU N N 11 119.442 119.442 120.704 -1.262 18220 4729 1 10 . 1 1 20 20 LEU HA H 11 3.937 3.937 3.958 -0.021 18220 4730 1 10 . 1 1 20 20 LEU C C 11 176.694 176.694 178.697 -2.003 18220 4731 1 10 . 1 1 20 20 LEU CA C 11 57.800 57.800 58.465 -0.665 18220 4732 1 10 . 1 1 20 20 LEU CB C 11 41.222 41.222 42.213 -0.991 18220 4733 1 10 . 1 1 20 20 LEU H H 11 8.065 8.065 7.866 0.199 18220 4734 1 10 . 1 1 21 21 VAL N N 12 118.323 118.323 115.831 2.492 18220 4735 1 10 . 1 1 21 21 VAL HA H 12 3.640 3.640 3.506 0.134 18220 4736 1 10 . 1 1 21 21 VAL C C 12 176.536 176.536 177.559 -1.023 18220 4737 1 10 . 1 1 21 21 VAL CA C 12 65.400 65.400 66.928 -1.528 18220 4738 1 10 . 1 1 21 21 VAL CB C 12 31.135 31.135 31.310 -0.175 18220 4739 1 10 . 1 1 21 21 VAL H H 12 8.051 8.051 8.172 -0.121 18220 4740 1 10 . 1 1 22 22 THR N N 13 118.298 118.298 117.408 0.890 18220 4741 1 10 . 1 1 22 22 THR HA H 13 4.660 4.660 3.842 0.818 18220 4742 1 10 . 1 1 22 22 THR C C 13 173.734 173.734 176.407 -2.673 18220 4743 1 10 . 1 1 22 22 THR CA C 13 66.300 66.300 66.877 -0.577 18220 4744 1 10 . 1 1 22 22 THR CB C 13 67.775 67.775 68.682 -0.907 18220 4745 1 10 . 1 1 22 22 THR H H 13 7.944 7.944 7.804 0.140 18220 4746 1 10 . 1 1 23 23 PHE N N 14 121.328 121.328 121.585 -0.257 18220 4747 1 10 . 1 1 23 23 PHE HA H 14 4.340 4.340 4.083 0.257 18220 4748 1 10 . 1 1 23 23 PHE C C 14 174.783 174.783 177.756 -2.973 18220 4749 1 10 . 1 1 23 23 PHE CA C 14 60.500 60.500 61.274 -0.774 18220 4750 1 10 . 1 1 23 23 PHE CB C 14 38.626 38.626 38.687 -0.061 18220 4751 1 10 . 1 1 23 23 PHE H H 14 8.567 8.567 8.175 0.392 18220 4752 1 10 . 1 1 24 24 GLY N N 15 106.871 106.871 106.843 0.028 18220 4753 1 10 . 1 1 24 24 GLY C C 15 172.858 172.858 176.148 -3.290 18220 4754 1 10 . 1 1 24 24 GLY CA C 15 46.900 46.900 47.112 -0.212 18220 4755 1 10 . 1 1 24 24 GLY H H 15 8.475 8.475 8.560 -0.085 18220 4756 1 10 . 1 1 25 25 SER N N 16 116.214 116.214 117.972 -1.758 18220 4757 1 10 . 1 1 25 25 SER HA H 16 4.280 4.280 4.162 0.118 18220 4758 1 10 . 1 1 25 25 SER CA C 16 60.300 60.300 61.579 -1.279 18220 4759 1 10 . 1 1 25 25 SER CB C 16 62.879 62.879 62.992 -0.112 18220 4760 1 10 . 1 1 25 25 SER H H 16 7.963 7.963 8.010 -0.047 18220 4761 1 10 . 1 1 26 26 ILE N N 17 121.024 121.024 120.600 0.424 18220 4762 1 10 . 1 1 26 26 ILE HA H 17 3.946 3.946 3.693 0.253 18220 4763 1 10 . 1 1 26 26 ILE C C 17 173.935 173.935 178.887 -4.952 18220 4764 1 10 . 1 1 26 26 ILE CA C 17 63.100 63.100 65.173 -2.073 18220 4765 1 10 . 1 1 26 26 ILE CB C 17 38.107 38.107 37.271 0.836 18220 4766 1 10 . 1 1 26 26 ILE H H 17 7.676 7.676 8.661 -0.985 18220 4767 1 10 . 1 1 27 27 PHE N N 18 117.142 117.142 118.942 -1.800 18220 4768 1 10 . 1 1 27 27 PHE HA H 18 4.430 4.430 4.115 0.315 18220 4769 1 10 . 1 1 27 27 PHE C C 18 173.504 173.504 177.672 -4.168 18220 4770 1 10 . 1 1 27 27 PHE CA C 18 58.500 58.500 60.861 -2.361 18220 4771 1 10 . 1 1 27 27 PHE CB C 18 38.774 38.774 38.139 0.635 18220 4772 1 10 . 1 1 27 27 PHE H H 18 7.703 7.703 8.293 -0.590 18220 4773 1 10 . 1 1 28 28 GLY N N 19 107.303 107.303 105.050 2.253 18220 4774 1 10 . 1 1 28 28 GLY C C 19 171.593 171.593 174.129 -2.536 18220 4775 1 10 . 1 1 28 28 GLY CA C 19 45.600 45.600 46.401 -0.801 18220 4776 1 10 . 1 1 28 28 GLY H H 19 7.722 7.722 7.617 0.105 18220 4777 1 10 . 1 1 29 29 TYR N N 20 119.862 119.862 118.542 1.320 18220 4778 1 10 . 1 1 29 29 TYR HA H 20 4.392 4.392 4.372 0.020 18220 4779 1 10 . 1 1 29 29 TYR C C 20 173.174 173.174 174.060 -0.886 18220 4780 1 10 . 1 1 29 29 TYR CA C 20 58.500 58.500 59.397 -0.897 18220 4781 1 10 . 1 1 29 29 TYR CB C 20 38.404 38.404 40.193 -1.789 18220 4782 1 10 . 1 1 29 29 TYR H H 20 7.880 7.880 8.018 -0.138 18220 4783 1 10 . 1 1 30 30 LYS N N 21 122.335 122.335 116.573 5.762 18220 4784 1 10 . 1 1 30 30 LYS HA H 21 4.390 4.390 4.621 -0.231 18220 4785 1 10 . 1 1 30 30 LYS C C 21 173.547 173.547 174.267 -0.720 18220 4786 1 10 . 1 1 30 30 LYS CA C 21 55.800 55.800 55.740 0.059 18220 4787 1 10 . 1 1 30 30 LYS CB C 21 32.396 32.396 33.817 -1.421 18220 4788 1 10 . 1 1 30 30 LYS H H 21 7.934 7.934 7.791 0.143 18220 4789 1 10 . 1 1 31 31 ARG N N 22 120.612 120.612 119.948 0.664 18220 4790 1 10 . 1 1 31 31 ARG C C 22 173.547 173.547 175.535 -1.988 18220 4791 1 10 . 1 1 31 31 ARG CA C 22 55.834 55.834 56.675 -0.841 18220 4792 1 10 . 1 1 31 31 ARG CB C 22 30.101 30.101 31.923 -1.822 18220 4793 1 10 . 1 1 31 31 ARG H H 22 7.905 7.905 8.687 -0.782 18220 4794 1 10 . 1 1 32 32 ARG N N 23 121.748 121.748 119.559 2.189 18220 4795 1 10 . 1 1 32 32 ARG HA H 23 4.310 4.310 4.295 0.015 18220 4796 1 10 . 1 1 32 32 ARG C C 23 173.863 173.863 175.379 -1.516 18220 4797 1 10 . 1 1 32 32 ARG CA C 23 55.800 55.800 55.961 -0.161 18220 4798 1 10 . 1 1 32 32 ARG CB C 23 30.245 30.245 31.284 -1.038 18220 4799 1 10 . 1 1 32 32 ARG H H 23 8.175 8.175 8.262 -0.087 18220 4800 1 10 . 1 1 33 33 GLY N N 24 109.528 109.528 112.543 -3.015 18220 4801 1 10 . 1 1 33 33 GLY C C 24 171.752 171.752 173.762 -2.010 18220 4802 1 10 . 1 1 33 33 GLY CA C 24 44.900 44.900 45.249 -0.349 18220 4803 1 10 . 1 1 33 33 GLY H H 24 8.264 8.264 8.448 -0.184 18220 4804 1 10 . 1 1 34 34 GLY N N 25 108.563 108.563 107.689 0.874 18220 4805 1 10 . 1 1 34 34 GLY C C 25 171.701 171.701 173.699 -1.998 18220 4806 1 10 . 1 1 34 34 GLY CA C 25 44.600 44.600 44.451 0.149 18220 4807 1 10 . 1 1 34 34 GLY H H 25 8.208 8.208 8.256 -0.048 18220 4808 1 10 . 1 1 35 35 VAL N N 26 121.164 121.164 118.755 2.409 18220 4809 1 10 . 1 1 35 35 VAL HA H 26 4.010 4.010 3.896 0.114 18220 4810 1 10 . 1 1 35 35 VAL C C 26 175.888 175.888 173.802 2.086 18220 4811 1 10 . 1 1 35 35 VAL CA C 26 63.900 63.900 61.910 1.990 18220 4812 1 10 . 1 1 35 35 VAL CB C 26 30.690 30.690 32.005 -1.315 18220 4813 1 10 . 1 1 35 35 VAL H H 26 8.485 8.485 7.953 0.532 18220 4814 1 10 . 1 1 36 36 PRO C C 27 177.660 177.660 177.280 0.380 18220 4815 1 10 . 1 1 36 36 PRO CA C 27 61.847 61.847 63.137 -1.290 18220 4816 1 10 . 1 1 37 37 SER N N 28 116.023 116.023 111.967 4.056 18220 4817 1 10 . 1 1 37 37 SER HA H 28 4.280 4.280 4.062 0.218 18220 4818 1 10 . 1 1 37 37 SER CA C 28 61.100 61.100 61.127 -0.027 18220 4819 1 10 . 1 1 37 37 SER H H 28 7.948 7.948 8.577 -0.629 18220 4820 1 10 . 1 1 38 38 LEU N N 29 124.029 124.029 123.117 0.912 18220 4821 1 10 . 1 1 38 38 LEU HA H 29 4.170 4.170 3.974 0.196 18220 4822 1 10 . 1 1 38 38 LEU C C 29 176.132 176.132 178.490 -2.358 18220 4823 1 10 . 1 1 38 38 LEU CA C 29 57.500 57.500 58.364 -0.864 18220 4824 1 10 . 1 1 38 38 LEU CB C 29 42.038 42.038 42.103 -0.065 18220 4825 1 10 . 1 1 38 38 LEU H H 29 8.201 8.201 8.463 -0.262 18220 4826 1 10 . 1 1 39 39 ILE N N 30 117.098 117.098 115.428 1.670 18220 4827 1 10 . 1 1 39 39 ILE HA H 30 4.370 4.370 3.605 0.765 18220 4828 1 10 . 1 1 39 39 ILE C C 30 176.478 176.478 177.439 -0.961 18220 4829 1 10 . 1 1 39 39 ILE CA C 30 63.079 63.079 64.860 -1.781 18220 4830 1 10 . 1 1 39 39 ILE CB C 30 36.973 36.973 36.746 0.227 18220 4831 1 10 . 1 1 39 39 ILE H H 30 7.662 7.662 7.790 -0.128 18220 4832 1 10 . 1 1 40 40 ALA N N 31 122.447 122.447 122.870 -0.423 18220 4833 1 10 . 1 1 40 40 ALA HA H 31 4.034 4.034 4.153 -0.119 18220 4834 1 10 . 1 1 40 40 ALA C C 31 177.067 177.067 179.912 -2.845 18220 4835 1 10 . 1 1 40 40 ALA CA C 31 55.962 55.962 55.240 0.722 18220 4836 1 10 . 1 1 40 40 ALA CB C 31 17.856 17.856 17.864 -0.008 18220 4837 1 10 . 1 1 40 40 ALA H H 31 8.096 8.096 8.131 -0.035 18220 4838 1 10 . 1 1 41 41 GLY N N 32 104.056 104.056 106.728 -2.672 18220 4839 1 10 . 1 1 41 41 GLY C C 32 174.251 174.251 176.172 -1.921 18220 4840 1 10 . 1 1 41 41 GLY CA C 32 46.500 46.500 46.770 -0.270 18220 4841 1 10 . 1 1 41 41 GLY H H 32 8.123 8.123 8.175 -0.052 18220 4842 1 10 . 1 1 42 42 LEU N N 33 123.250 123.250 123.348 -0.098 18220 4843 1 10 . 1 1 42 42 LEU HA H 33 3.857 3.857 4.055 -0.198 18220 4844 1 10 . 1 1 42 42 LEU C C 33 176.033 176.033 178.632 -2.599 18220 4845 1 10 . 1 1 42 42 LEU CA C 33 56.668 56.668 58.361 -1.693 18220 4846 1 10 . 1 1 42 42 LEU CB C 33 41.721 41.721 42.069 -0.347 18220 4847 1 10 . 1 1 42 42 LEU H H 33 7.914 7.914 7.997 -0.083 18220 4848 1 10 . 1 1 43 43 PHE N N 34 119.757 119.757 118.821 0.936 18220 4849 1 10 . 1 1 43 43 PHE HA H 34 4.200 4.200 4.028 0.172 18220 4850 1 10 . 1 1 43 43 PHE C C 34 174.374 174.374 177.978 -3.604 18220 4851 1 10 . 1 1 43 43 PHE CA C 34 59.876 59.876 62.724 -2.848 18220 4852 1 10 . 1 1 43 43 PHE CB C 34 38.834 38.834 38.407 0.427 18220 4853 1 10 . 1 1 43 43 PHE H H 34 8.287 8.287 8.475 -0.188 18220 4854 1 10 . 1 1 44 44 VAL N N 35 117.791 117.791 118.646 -0.855 18220 4855 1 10 . 1 1 44 44 VAL HA H 35 3.610 3.610 3.604 0.006 18220 4856 1 10 . 1 1 44 44 VAL C C 35 176.205 176.205 178.350 -2.145 18220 4857 1 10 . 1 1 44 44 VAL CA C 35 64.559 64.559 67.705 -3.146 18220 4858 1 10 . 1 1 44 44 VAL CB C 35 31.432 31.432 31.269 0.163 18220 4859 1 10 . 1 1 44 44 VAL H H 35 8.235 8.235 8.454 -0.219 18220 4860 1 10 . 1 1 45 45 GLY N N 36 108.551 108.551 107.351 1.200 18220 4861 1 10 . 1 1 45 45 GLY C C 36 173.749 173.749 175.960 -2.211 18220 4862 1 10 . 1 1 45 45 GLY CA C 36 46.083 46.083 47.544 -1.461 18220 4863 1 10 . 1 1 45 45 GLY H H 36 8.178 8.178 8.273 -0.095 18220 4864 1 10 . 1 1 46 46 CYS N N 37 121.173 121.173 121.131 0.042 18220 4865 1 10 . 1 1 46 46 CYS HA H 37 4.180 4.180 4.055 0.125 18220 4866 1 10 . 1 1 46 46 CYS C C 37 173.710 173.710 176.756 -3.046 18220 4867 1 10 . 1 1 46 46 CYS CA C 37 63.000 63.000 64.642 -1.642 18220 4868 1 10 . 1 1 46 46 CYS CB C 37 60.283 60.283 27.545 32.738 18220 4869 1 10 . 1 1 46 46 CYS H H 37 8.253 8.253 8.264 -0.011 18220 4870 1 10 . 1 1 47 47 LEU N N 38 120.283 120.283 120.036 0.247 18220 4871 1 10 . 1 1 47 47 LEU HA H 38 4.060 4.060 3.845 0.215 18220 4872 1 10 . 1 1 47 47 LEU C C 38 176.679 176.679 179.337 -2.658 18220 4873 1 10 . 1 1 47 47 LEU CA C 38 56.027 56.027 58.015 -1.988 18220 4874 1 10 . 1 1 47 47 LEU CB C 38 41.464 41.464 41.066 0.398 18220 4875 1 10 . 1 1 47 47 LEU H H 38 7.965 7.965 8.319 -0.354 18220 4876 1 10 . 1 1 48 48 ALA N N 39 122.249 122.249 120.945 1.304 18220 4877 1 10 . 1 1 48 48 ALA HA H 39 4.142 4.142 4.056 0.086 18220 4878 1 10 . 1 1 48 48 ALA C C 39 177.915 177.915 179.673 -1.758 18220 4879 1 10 . 1 1 48 48 ALA CA C 39 53.717 53.717 55.356 -1.639 18220 4880 1 10 . 1 1 48 48 ALA CB C 39 17.985 17.985 18.220 -0.235 18220 4881 1 10 . 1 1 48 48 ALA H H 39 8.066 8.066 8.362 -0.296 18220 4882 1 10 . 1 1 49 49 GLY N N 40 107.377 107.377 107.447 -0.070 18220 4883 1 10 . 1 1 49 49 GLY C C 40 172.527 172.527 176.112 -3.585 18220 4884 1 10 . 1 1 49 49 GLY CA C 40 45.450 45.450 47.232 -1.782 18220 4885 1 10 . 1 1 49 49 GLY H H 40 8.172 8.172 8.176 -0.004 18220 4886 1 10 . 1 1 50 50 TYR N N 41 122.409 122.409 123.069 -0.660 18220 4887 1 10 . 1 1 50 50 TYR HA H 41 3.799 3.799 3.960 -0.161 18220 4888 1 10 . 1 1 50 50 TYR C C 41 174.208 174.208 178.546 -4.338 18220 4889 1 10 . 1 1 50 50 TYR CA C 41 59.245 59.245 60.591 -1.346 18220 4890 1 10 . 1 1 50 50 TYR CB C 41 37.936 37.936 38.048 -0.112 18220 4891 1 10 . 1 1 50 50 TYR H H 41 7.800 7.800 8.605 -0.805 18220 4892 1 10 . 1 1 51 51 GLY N N 42 106.935 106.935 105.724 1.211 18220 4893 1 10 . 1 1 51 51 GLY C C 42 172.642 172.642 175.761 -3.119 18220 4894 1 10 . 1 1 51 51 GLY CA C 42 46.265 46.265 46.883 -0.618 18220 4895 1 10 . 1 1 51 51 GLY H H 42 8.199 8.199 8.242 -0.043 18220 4896 1 10 . 1 1 52 52 ALA N N 43 123.018 123.018 124.117 -1.099 18220 4897 1 10 . 1 1 52 52 ALA HA H 43 4.150 4.150 4.101 0.049 18220 4898 1 10 . 1 1 52 52 ALA C C 43 176.398 176.398 179.692 -3.294 18220 4899 1 10 . 1 1 52 52 ALA CA C 43 52.883 52.883 54.600 -1.717 18220 4900 1 10 . 1 1 52 52 ALA CB C 43 18.241 18.241 18.470 -0.229 18220 4901 1 10 . 1 1 52 52 ALA H H 43 7.758 7.758 8.216 -0.458 18220 4902 1 10 . 1 1 53 53 TYR N N 44 119.664 119.664 117.500 2.164 18220 4903 1 10 . 1 1 53 53 TYR HA H 44 4.318 4.318 4.352 -0.034 18220 4904 1 10 . 1 1 53 53 TYR C C 44 174.180 174.180 177.874 -3.694 18220 4905 1 10 . 1 1 53 53 TYR CA C 44 58.593 58.593 60.298 -1.705 18220 4906 1 10 . 1 1 53 53 TYR CB C 44 38.192 38.192 38.597 -0.405 18220 4907 1 10 . 1 1 53 53 TYR H H 44 7.920 7.920 8.115 -0.195 18220 4908 1 10 . 1 1 54 54 ARG N N 45 119.516 119.516 118.977 0.539 18220 4909 1 10 . 1 1 54 54 ARG HA H 45 3.930 3.930 4.158 -0.228 18220 4910 1 10 . 1 1 54 54 ARG C C 45 174.423 174.423 176.785 -2.362 18220 4911 1 10 . 1 1 54 54 ARG CA C 45 56.027 56.027 57.928 -1.901 18220 4912 1 10 . 1 1 54 54 ARG CB C 45 30.173 30.173 30.676 -0.503 18220 4913 1 10 . 1 1 54 54 ARG H H 45 7.956 7.956 7.853 0.103 18220 4914 1 10 . 1 1 55 55 VAL N N 46 116.437 116.437 117.281 -0.844 18220 4915 1 10 . 1 1 55 55 VAL HA H 46 4.060 4.060 3.780 0.280 18220 4916 1 10 . 1 1 55 55 VAL C C 46 173.806 173.806 175.736 -1.930 18220 4917 1 10 . 1 1 55 55 VAL CA C 46 62.300 62.300 63.683 -1.383 18220 4918 1 10 . 1 1 55 55 VAL CB C 46 31.521 31.521 29.777 1.744 18220 4919 1 10 . 1 1 55 55 VAL H H 46 7.489 7.489 7.891 -0.402 18220 4920 1 10 . 1 1 56 56 SER N N 47 117.185 117.185 115.942 1.243 18220 4921 1 10 . 1 1 56 56 SER HA H 47 4.401 4.401 4.424 -0.023 18220 4922 1 10 . 1 1 56 56 SER C C 47 172.074 172.074 175.791 -3.717 18220 4923 1 10 . 1 1 56 56 SER CA C 47 58.133 58.133 59.639 -1.506 18220 4924 1 10 . 1 1 56 56 SER CB C 47 63.468 63.468 63.904 -0.436 18220 4925 1 10 . 1 1 56 56 SER H H 47 7.728 7.728 8.465 -0.737 18220 4926 1 10 . 1 1 57 57 ASN N N 48 121.049 121.049 119.108 1.941 18220 4927 1 10 . 1 1 57 57 ASN HA H 48 4.590 4.590 4.745 -0.155 18220 4928 1 10 . 1 1 57 57 ASN CA C 48 53.600 53.600 53.113 0.487 18220 4929 1 10 . 1 1 57 57 ASN CB C 48 38.641 38.641 38.962 -0.321 18220 4930 1 10 . 1 1 57 57 ASN H H 48 8.228 8.228 8.404 -0.176 18220 4931 1 10 . 1 1 58 58 ASP N N 49 120.276 120.276 118.249 2.027 18220 4932 1 10 . 1 1 58 58 ASP HA H 49 4.530 4.530 4.396 0.134 18220 4933 1 10 . 1 1 58 58 ASP CA C 49 54.202 54.202 55.375 -1.173 18220 4934 1 10 . 1 1 58 58 ASP CB C 49 40.374 40.374 39.680 0.694 18220 4935 1 10 . 1 1 58 58 ASP H H 49 8.192 8.192 8.559 -0.367 18220 4936 1 10 . 1 1 59 59 LYS N N 50 120.660 120.660 121.467 -0.807 18220 4937 1 10 . 1 1 59 59 LYS HA H 50 4.200 4.200 4.483 -0.283 18220 4938 1 10 . 1 1 59 59 LYS C C 50 173.474 173.474 176.017 -2.543 18220 4939 1 10 . 1 1 59 59 LYS CA C 50 56.300 56.300 55.790 0.510 18220 4940 1 10 . 1 1 59 59 LYS CB C 50 32.034 32.034 34.009 -1.975 18220 4941 1 10 . 1 1 59 59 LYS H H 50 8.003 8.003 7.865 0.138 18220 4942 1 10 . 1 1 60 60 ARG N N 51 121.278 121.278 119.512 1.766 18220 4943 1 10 . 1 1 60 60 ARG HA H 51 4.200 4.200 4.514 -0.314 18220 4944 1 10 . 1 1 60 60 ARG C C 51 173.303 173.303 175.623 -2.320 18220 4945 1 10 . 1 1 60 60 ARG CA C 51 56.283 56.283 57.231 -0.948 18220 4946 1 10 . 1 1 60 60 ARG CB C 51 30.238 30.238 31.086 -0.848 18220 4947 1 10 . 1 1 60 60 ARG H H 51 8.091 8.091 8.774 -0.683 18220 4948 1 10 . 1 1 61 61 ASP N N 52 121.185 121.185 121.247 -0.062 18220 4949 1 10 . 1 1 61 61 ASP HA H 52 4.615 4.615 4.904 -0.289 18220 4950 1 10 . 1 1 61 61 ASP C C 52 173.777 173.777 175.761 -1.984 18220 4951 1 10 . 1 1 61 61 ASP CA C 52 53.979 53.979 53.179 0.800 18220 4952 1 10 . 1 1 61 61 ASP CB C 52 40.245 40.245 42.584 -2.339 18220 4953 1 10 . 1 1 61 61 ASP H H 52 8.261 8.261 8.229 0.032 18220 4954 1 10 . 1 1 62 62 VAL N N 53 121.902 121.902 122.987 -1.085 18220 4955 1 10 . 1 1 62 62 VAL HA H 53 3.950 3.950 4.073 -0.123 18220 4956 1 10 . 1 1 62 62 VAL C C 53 173.279 173.279 176.598 -3.319 18220 4957 1 10 . 1 1 62 62 VAL CA C 53 63.176 63.176 62.535 0.641 18220 4958 1 10 . 1 1 62 62 VAL CB C 53 32.099 32.099 29.668 2.431 18220 4959 1 10 . 1 1 62 62 VAL H H 53 7.997 7.997 8.576 -0.579 18220 4960 1 10 . 1 1 63 63 LYS N N 54 123.522 123.522 124.958 -1.436 18220 4961 1 10 . 1 1 63 63 LYS HA H 54 4.260 4.260 4.171 0.089 18220 4962 1 10 . 1 1 63 63 LYS C C 54 174.481 174.481 177.831 -3.350 18220 4963 1 10 . 1 1 63 63 LYS CA C 54 56.347 56.347 59.302 -2.955 18220 4964 1 10 . 1 1 63 63 LYS CB C 54 32.099 32.099 32.558 -0.459 18220 4965 1 10 . 1 1 63 63 LYS H H 54 8.054 8.054 8.053 0.001 18220 4966 1 10 . 1 1 64 64 VAL N N 55 120.647 120.647 122.425 -1.778 18220 4967 1 10 . 1 1 64 64 VAL HA H 55 3.947 3.947 3.802 0.145 18220 4968 1 10 . 1 1 64 64 VAL C C 55 174.955 174.955 178.338 -3.383 18220 4969 1 10 . 1 1 64 64 VAL CA C 55 64.600 64.600 65.648 -1.048 18220 4970 1 10 . 1 1 64 64 VAL CB C 55 31.877 31.877 30.807 1.070 18220 4971 1 10 . 1 1 64 64 VAL H H 55 8.225 8.225 8.593 -0.368 18220 4972 1 10 . 1 1 65 65 SER N N 56 117.785 117.785 113.983 3.802 18220 4973 1 10 . 1 1 65 65 SER HA H 56 4.390 4.390 4.152 0.238 18220 4974 1 10 . 1 1 65 65 SER C C 56 172.300 172.300 176.602 -4.302 18220 4975 1 10 . 1 1 65 65 SER CA C 56 60.000 60.000 62.161 -2.161 18220 4976 1 10 . 1 1 65 65 SER CB C 56 62.879 62.879 62.855 0.024 18220 4977 1 10 . 1 1 65 65 SER H H 56 8.260 8.260 8.479 -0.219 18220 4978 1 10 . 1 1 66 66 LEU N N 57 123.318 123.318 122.435 0.883 18220 4979 1 10 . 1 1 66 66 LEU HA H 57 4.090 4.090 4.072 0.018 18220 4980 1 10 . 1 1 66 66 LEU C C 57 175.932 175.932 178.675 -2.743 18220 4981 1 10 . 1 1 66 66 LEU CA C 57 57.502 57.502 57.781 -0.279 18220 4982 1 10 . 1 1 66 66 LEU CB C 57 41.721 41.721 40.908 0.813 18220 4983 1 10 . 1 1 66 66 LEU H H 57 8.091 8.091 7.844 0.247 18220 4984 1 10 . 1 1 67 67 PHE N N 58 118.020 118.020 117.760 0.260 18220 4985 1 10 . 1 1 67 67 PHE HA H 58 4.330 4.330 4.392 -0.062 18220 4986 1 10 . 1 1 67 67 PHE C C 58 174.912 174.912 178.412 -3.500 18220 4987 1 10 . 1 1 67 67 PHE CA C 58 60.600 60.600 62.141 -1.541 18220 4988 1 10 . 1 1 67 67 PHE CB C 58 38.552 38.552 38.561 -0.009 18220 4989 1 10 . 1 1 67 67 PHE H H 58 8.066 8.066 8.539 -0.473 18220 4990 1 10 . 1 1 68 68 THR N N 59 115.324 115.324 117.423 -2.099 18220 4991 1 10 . 1 1 68 68 THR HA H 59 4.310 4.310 4.178 0.132 18220 4992 1 10 . 1 1 68 68 THR C C 59 173.380 173.380 176.311 -2.931 18220 4993 1 10 . 1 1 68 68 THR CA C 59 66.313 66.313 67.317 -1.004 18220 4994 1 10 . 1 1 68 68 THR CB C 59 67.700 67.700 68.755 -1.055 18220 4995 1 10 . 1 1 68 68 THR H H 59 8.287 8.287 8.267 0.020 18220 4996 1 10 . 1 1 69 69 ALA N N 60 123.621 123.621 124.773 -1.152 18220 4997 1 10 . 1 1 69 69 ALA HA H 60 4.280 4.280 4.189 0.091 18220 4998 1 10 . 1 1 69 69 ALA C C 60 176.978 176.978 179.291 -2.313 18220 4999 1 10 . 1 1 69 69 ALA CA C 60 55.100 55.100 55.305 -0.205 18220 5000 1 10 . 1 1 69 69 ALA CB C 60 17.728 17.728 18.153 -0.425 18220 5001 1 10 . 1 1 69 69 ALA H H 60 7.983 7.983 8.408 -0.425 18220 5002 1 10 . 1 1 70 70 PHE N N 61 118.520 118.520 119.519 -0.999 18220 5003 1 10 . 1 1 70 70 PHE HA H 61 4.260 4.260 4.132 0.128 18220 5004 1 10 . 1 1 70 70 PHE C C 61 175.369 175.369 177.598 -2.229 18220 5005 1 10 . 1 1 70 70 PHE CA C 61 60.179 60.179 61.305 -1.126 18220 5006 1 10 . 1 1 70 70 PHE CB C 61 38.706 38.706 38.930 -0.224 18220 5007 1 10 . 1 1 70 70 PHE H H 61 8.007 8.007 8.347 -0.340 18220 5008 1 10 . 1 1 71 71 PHE N N 62 122.314 122.314 119.346 2.968 18220 5009 1 10 . 1 1 71 71 PHE HA H 62 4.000 4.000 4.149 -0.149 18220 5010 1 10 . 1 1 71 71 PHE C C 62 174.697 174.697 177.101 -2.404 18220 5011 1 10 . 1 1 71 71 PHE CA C 62 60.517 60.517 61.581 -1.064 18220 5012 1 10 . 1 1 71 71 PHE CB C 62 38.770 38.770 39.204 -0.434 18220 5013 1 10 . 1 1 71 71 PHE H H 62 8.546 8.546 8.268 0.278 18220 5014 1 10 . 1 1 72 72 LEU N N 63 119.399 119.399 121.042 -1.643 18220 5015 1 10 . 1 1 72 72 LEU HA H 63 3.870 3.870 3.718 0.152 18220 5016 1 10 . 1 1 72 72 LEU C C 63 175.774 175.774 178.681 -2.907 18220 5017 1 10 . 1 1 72 72 LEU CA C 63 56.925 56.925 58.875 -1.950 18220 5018 1 10 . 1 1 72 72 LEU CB C 63 41.207 41.207 41.689 -0.482 18220 5019 1 10 . 1 1 72 72 LEU H H 63 8.396 8.396 8.439 -0.043 18220 5020 1 10 . 1 1 73 73 ALA N N 64 120.221 120.221 119.909 0.312 18220 5021 1 10 . 1 1 73 73 ALA HA H 64 3.960 3.960 3.770 0.190 18220 5022 1 10 . 1 1 73 73 ALA C C 64 177.267 177.267 179.647 -2.380 18220 5023 1 10 . 1 1 73 73 ALA CA C 64 54.600 54.600 55.355 -0.755 18220 5024 1 10 . 1 1 73 73 ALA CB C 64 17.784 17.784 17.781 0.003 18220 5025 1 10 . 1 1 73 73 ALA H H 64 8.025 8.025 8.227 -0.202 18220 5026 1 10 . 1 1 74 74 THR N N 65 113.648 113.648 114.707 -1.059 18220 5027 1 10 . 1 1 74 74 THR HA H 65 3.980 3.980 3.776 0.204 18220 5028 1 10 . 1 1 74 74 THR CA C 65 66.291 66.291 66.964 -0.673 18220 5029 1 10 . 1 1 74 74 THR CB C 65 67.914 67.914 68.464 -0.550 18220 5030 1 10 . 1 1 74 74 THR H H 65 7.717 7.717 7.803 -0.086 18220 5031 1 10 . 1 1 75 75 ILE N N 66 120.291 120.291 119.834 0.457 18220 5032 1 10 . 1 1 75 75 ILE HA H 66 3.740 3.740 3.651 0.089 18220 5033 1 10 . 1 1 75 75 ILE C C 66 174.951 174.951 177.280 -2.329 18220 5034 1 10 . 1 1 75 75 ILE CA C 66 64.880 64.880 63.252 1.627 18220 5035 1 10 . 1 1 75 75 ILE CB C 66 37.166 37.166 37.935 -0.769 18220 5036 1 10 . 1 1 75 75 ILE H H 66 7.738 7.738 7.589 0.149 18220 5037 1 10 . 1 1 76 76 MET N N 67 117.618 117.618 117.311 0.307 18220 5038 1 10 . 1 1 76 76 MET HA H 67 4.220 4.220 4.129 0.091 18220 5039 1 10 . 1 1 76 76 MET C C 67 175.142 175.142 176.962 -1.820 18220 5040 1 10 . 1 1 76 76 MET CA C 67 56.723 56.723 57.604 -0.881 18220 5041 1 10 . 1 1 76 76 MET CB C 67 31.951 31.951 33.808 -1.857 18220 5042 1 10 . 1 1 76 76 MET H H 67 7.823 7.823 7.911 -0.088 18220 5043 1 10 . 1 1 77 77 GLY N N 68 107.110 107.110 105.059 2.051 18220 5044 1 10 . 1 1 77 77 GLY C C 68 172.260 172.260 172.829 -0.569 18220 5045 1 10 . 1 1 77 77 GLY CA C 68 45.800 45.800 44.791 1.009 18220 5046 1 10 . 1 1 77 77 GLY H H 68 7.937 7.937 8.226 -0.289 18220 5047 1 10 . 1 1 78 78 VAL N N 69 120.431 120.431 118.882 1.549 18220 5048 1 10 . 1 1 78 78 VAL HA H 69 4.220 4.220 4.668 -0.448 18220 5049 1 10 . 1 1 78 78 VAL CA C 69 63.900 63.900 61.615 2.285 18220 5050 1 10 . 1 1 78 78 VAL CB C 69 31.506 31.506 33.385 -1.879 18220 5051 1 10 . 1 1 78 78 VAL H H 69 7.697 7.697 8.065 -0.368 18220 5052 1 10 . 1 1 79 79 ARG N N 70 121.420 121.420 119.807 1.613 18220 5053 1 10 . 1 1 79 79 ARG HA H 70 3.810 3.810 4.419 -0.609 18220 5054 1 10 . 1 1 79 79 ARG CA C 70 56.400 56.400 56.124 0.276 18220 5055 1 10 . 1 1 79 79 ARG CB C 70 30.097 30.097 30.913 -0.816 18220 5056 1 10 . 1 1 79 79 ARG H H 70 7.889 7.889 8.492 -0.603 18220 5057 1 10 . 1 1 80 80 PHE N N 71 119.949 119.949 120.057 -0.108 18220 5058 1 10 . 1 1 80 80 PHE HA H 71 4.510 4.510 4.730 -0.220 18220 5059 1 10 . 1 1 80 80 PHE CA C 71 58.600 58.600 57.147 1.453 18220 5060 1 10 . 1 1 80 80 PHE CB C 71 39.145 39.145 38.719 0.426 18220 5061 1 10 . 1 1 80 80 PHE H H 71 8.101 8.101 7.764 0.337 18220 5062 1 10 . 1 1 81 81 LYS N N 72 122.193 122.193 124.610 -2.417 18220 5063 1 10 . 1 1 81 81 LYS CA C 72 56.800 56.800 56.474 0.326 18220 5064 1 10 . 1 1 81 81 LYS CB C 72 32.322 32.322 34.393 -2.071 18220 5065 1 10 . 1 1 81 81 LYS H H 72 8.090 8.090 7.751 0.339 18220 5066 1 10 . 1 1 82 82 ARG N N 73 119.650 119.650 124.223 -4.573 18220 5067 1 10 . 1 1 82 82 ARG CA C 73 56.089 56.089 55.822 0.267 18220 5068 1 10 . 1 1 82 82 ARG CB C 73 30.171 30.171 30.464 -0.293 18220 5069 1 10 . 1 1 82 82 ARG H H 73 8.052 8.052 8.646 -0.594 18220 5070 1 10 . 1 1 83 83 SER N N 74 115.734 115.734 115.949 -0.215 18220 5071 1 10 . 1 1 83 83 SER CA C 74 58.355 58.355 58.930 -0.575 18220 5072 1 10 . 1 1 83 83 SER CB C 74 63.404 63.404 63.257 0.147 18220 5073 1 10 . 1 1 83 83 SER H H 74 7.912 7.912 8.500 -0.588 18220 5074 1 10 . 1 1 84 84 LYS N N 75 122.370 122.370 120.874 1.496 18220 5075 1 10 . 1 1 84 84 LYS CA C 75 56.135 56.135 56.102 0.032 18220 5076 1 10 . 1 1 84 84 LYS CB C 75 32.175 32.175 33.757 -1.582 18220 5077 1 10 . 1 1 84 84 LYS H H 75 8.067 8.067 7.799 0.268 18220 5078 1 10 . 1 1 86 86 ILE N N 77 119.592 119.592 114.986 4.606 18220 5079 1 10 . 1 1 86 86 ILE HA H 77 3.810 3.810 3.751 0.059 18220 5080 1 10 . 1 1 86 86 ILE CA C 77 64.900 64.900 61.279 3.621 18220 5081 1 10 . 1 1 86 86 ILE CB C 77 39.145 39.145 35.348 3.797 18220 5082 1 10 . 1 1 86 86 ILE H H 77 7.837 7.837 8.075 -0.238 18220 5083 1 10 . 1 1 87 87 MET N N 78 121.645 121.645 117.009 4.636 18220 5084 1 10 . 1 1 87 87 MET CA C 78 52.982 52.982 55.643 -2.661 18220 5085 1 10 . 1 1 87 87 MET CB C 78 32.173 32.173 32.668 -0.495 18220 5086 1 10 . 1 1 87 87 MET H H 78 7.950 7.950 7.518 0.432 18220 5087 1 10 . 1 1 88 88 PRO HA H 79 4.140 4.140 4.351 -0.211 18220 5088 1 10 . 1 1 88 88 PRO C C 79 173.921 173.921 177.988 -4.067 18220 5089 1 10 . 1 1 88 88 PRO CA C 79 62.800 62.800 64.549 -1.749 18220 5090 1 10 . 1 1 88 88 PRO CB C 79 31.136 31.136 32.003 -0.867 18220 5091 1 10 . 1 1 89 89 ALA N N 80 124.431 124.431 122.059 2.372 18220 5092 1 10 . 1 1 89 89 ALA HA H 80 4.400 4.400 4.012 0.388 18220 5093 1 10 . 1 1 89 89 ALA C C 80 176.234 176.234 179.909 -3.675 18220 5094 1 10 . 1 1 89 89 ALA CA C 80 53.300 53.300 55.021 -1.721 18220 5095 1 10 . 1 1 89 89 ALA CB C 80 18.498 18.498 18.074 0.424 18220 5096 1 10 . 1 1 89 89 ALA H H 80 8.320 8.320 8.283 0.037 18220 5097 1 10 . 1 1 90 90 GLY N N 81 106.834 106.834 106.905 -0.071 18220 5098 1 10 . 1 1 90 90 GLY C C 81 172.398 172.398 176.132 -3.734 18220 5099 1 10 . 1 1 90 90 GLY CA C 81 45.600 45.600 47.097 -1.497 18220 5100 1 10 . 1 1 90 90 GLY H H 81 8.458 8.458 8.228 0.230 18220 5101 1 10 . 1 1 91 91 LEU N N 82 121.043 121.043 122.152 -1.109 18220 5102 1 10 . 1 1 91 91 LEU HA H 82 4.200 4.200 4.020 0.180 18220 5103 1 10 . 1 1 91 91 LEU C C 82 174.783 174.783 178.635 -3.852 18220 5104 1 10 . 1 1 91 91 LEU CA C 82 56.300 56.300 57.832 -1.532 18220 5105 1 10 . 1 1 91 91 LEU CB C 82 42.106 42.106 42.024 0.082 18220 5106 1 10 . 1 1 91 91 LEU H H 82 7.687 7.687 7.461 0.226 18220 5107 1 10 . 1 1 92 92 VAL N N 83 114.737 114.737 118.103 -3.366 18220 5108 1 10 . 1 1 92 92 VAL HA H 83 3.980 3.980 3.583 0.397 18220 5109 1 10 . 1 1 92 92 VAL C C 83 173.634 173.634 177.964 -4.330 18220 5110 1 10 . 1 1 92 92 VAL CA C 83 62.400 62.400 66.222 -3.822 18220 5111 1 10 . 1 1 92 92 VAL CB C 83 31.585 31.585 30.929 0.656 18220 5112 1 10 . 1 1 92 92 VAL H H 83 7.602 7.602 7.837 -0.235 18220 5113 1 10 . 1 1 93 93 ALA N N 84 124.320 124.320 121.741 2.579 18220 5114 1 10 . 1 1 93 93 ALA HA H 84 4.150 4.150 4.172 -0.022 18220 5115 1 10 . 1 1 93 93 ALA C C 84 175.746 175.746 179.749 -4.003 18220 5116 1 10 . 1 1 93 93 ALA CA C 84 53.300 53.300 55.201 -1.901 18220 5117 1 10 . 1 1 93 93 ALA CB C 84 18.241 18.241 18.147 0.094 18220 5118 1 10 . 1 1 93 93 ALA H H 84 7.891 7.891 8.258 -0.367 18220 5119 1 10 . 1 1 94 94 GLY N N 85 106.807 106.807 108.406 -1.599 18220 5120 1 10 . 1 1 94 94 GLY C C 85 171.752 171.752 176.190 -4.438 18220 5121 1 10 . 1 1 94 94 GLY CA C 85 45.249 45.249 46.998 -1.749 18220 5122 1 10 . 1 1 94 94 GLY H H 85 8.204 8.204 8.144 0.060 18220 5123 1 10 . 1 1 95 95 LEU N N 86 121.266 121.266 122.731 -1.465 18220 5124 1 10 . 1 1 95 95 LEU HA H 86 4.380 4.380 4.132 0.248 18220 5125 1 10 . 1 1 95 95 LEU C C 86 173.702 173.702 178.620 -4.918 18220 5126 1 10 . 1 1 95 95 LEU CA C 86 55.000 55.000 57.720 -2.720 18220 5127 1 10 . 1 1 95 95 LEU CB C 86 42.298 42.298 41.064 1.234 18220 5128 1 10 . 1 1 95 95 LEU H H 86 7.718 7.718 8.254 -0.536 18220 5129 1 10 . 1 1 96 96 SER N N 87 115.658 115.658 115.256 0.402 18220 5130 1 10 . 1 1 96 96 SER HA H 87 4.370 4.370 4.085 0.285 18220 5131 1 10 . 1 1 96 96 SER C C 87 172.479 172.479 176.744 -4.265 18220 5132 1 10 . 1 1 96 96 SER CA C 87 57.200 57.200 61.907 -4.707 18220 5133 1 10 . 1 1 96 96 SER CB C 87 64.174 64.174 63.053 1.121 18220 5134 1 10 . 1 1 96 96 SER H H 87 7.659 7.659 8.140 -0.481 18220 5135 1 10 . 1 1 97 97 LEU N N 88 123.720 123.720 122.835 0.885 18220 5136 1 10 . 1 1 97 97 LEU HA H 88 4.600 4.600 3.928 0.672 18220 5137 1 10 . 1 1 97 97 LEU C C 88 175.932 175.932 178.525 -2.593 18220 5138 1 10 . 1 1 97 97 LEU CA C 88 57.600 57.600 58.325 -0.725 18220 5139 1 10 . 1 1 97 97 LEU CB C 88 41.400 41.400 42.005 -0.605 18220 5140 1 10 . 1 1 97 97 LEU H H 88 8.733 8.733 8.160 0.573 18220 5141 1 10 . 1 1 98 98 MET N N 89 116.684 116.684 118.289 -1.605 18220 5142 1 10 . 1 1 98 98 MET HA H 89 4.280 4.280 3.903 0.377 18220 5143 1 10 . 1 1 98 98 MET C C 89 175.789 175.789 178.541 -2.752 18220 5144 1 10 . 1 1 98 98 MET CA C 89 56.915 56.915 59.106 -2.192 18220 5145 1 10 . 1 1 98 98 MET CB C 89 31.007 31.007 32.405 -1.398 18220 5146 1 10 . 1 1 98 98 MET H H 89 8.342 8.342 8.154 0.188 18220 5147 1 10 . 1 1 99 99 MET N N 90 119.182 119.182 118.719 0.463 18220 5148 1 10 . 1 1 99 99 MET HA H 90 4.110 4.110 3.988 0.122 18220 5149 1 10 . 1 1 99 99 MET C C 90 175.588 175.588 178.727 -3.139 18220 5150 1 10 . 1 1 99 99 MET CA C 90 57.951 57.951 59.697 -1.746 18220 5151 1 10 . 1 1 99 99 MET CB C 90 32.226 32.226 32.700 -0.474 18220 5152 1 10 . 1 1 99 99 MET H H 90 7.720 7.720 7.955 -0.235 18220 5153 1 10 . 1 1 100 100 ILE N N 91 119.077 119.077 120.006 -0.929 18220 5154 1 10 . 1 1 100 100 ILE HA H 91 4.110 4.110 3.588 0.522 18220 5155 1 10 . 1 1 100 100 ILE C C 91 174.634 174.634 177.950 -3.316 18220 5156 1 10 . 1 1 100 100 ILE CA C 91 64.100 64.100 65.754 -1.653 18220 5157 1 10 . 1 1 100 100 ILE CB C 91 37.143 37.143 37.713 -0.570 18220 5158 1 10 . 1 1 100 100 ILE H H 91 7.662 7.662 8.088 -0.426 18220 5159 1 10 . 1 1 101 101 LEU N N 92 119.646 119.646 119.197 0.449 18220 5160 1 10 . 1 1 101 101 LEU HA H 92 4.530 4.530 3.896 0.634 18220 5161 1 10 . 1 1 101 101 LEU C C 92 175.430 175.430 179.129 -3.699 18220 5162 1 10 . 1 1 101 101 LEU CA C 92 57.800 57.800 57.983 -0.182 18220 5163 1 10 . 1 1 101 101 LEU CB C 92 40.758 40.758 41.797 -1.039 18220 5164 1 10 . 1 1 101 101 LEU H H 92 8.142 8.142 8.269 -0.127 18220 5165 1 10 . 1 1 102 102 ARG N N 93 116.394 116.394 119.526 -3.132 18220 5166 1 10 . 1 1 102 102 ARG HA H 93 4.140 4.140 4.087 0.053 18220 5167 1 10 . 1 1 102 102 ARG C C 93 175.961 175.961 178.671 -2.710 18220 5168 1 10 . 1 1 102 102 ARG CA C 93 59.100 59.100 58.736 0.364 18220 5169 1 10 . 1 1 102 102 ARG CB C 93 29.404 29.404 29.607 -0.203 18220 5170 1 10 . 1 1 102 102 ARG H H 93 7.893 7.893 7.920 -0.027 18220 5171 1 10 . 1 1 103 103 LEU N N 94 119.114 119.114 120.481 -1.367 18220 5172 1 10 . 1 1 103 103 LEU HA H 94 4.110 4.110 4.020 0.090 18220 5173 1 10 . 1 1 103 103 LEU C C 94 175.889 175.889 179.591 -3.702 18220 5174 1 10 . 1 1 103 103 LEU CA C 94 57.300 57.300 58.753 -1.453 18220 5175 1 10 . 1 1 103 103 LEU CB C 94 41.296 41.296 41.995 -0.699 18220 5176 1 10 . 1 1 103 103 LEU H H 94 7.622 7.622 8.041 -0.419 18220 5177 1 10 . 1 1 104 104 VAL N N 95 117.704 117.704 118.970 -1.266 18220 5178 1 10 . 1 1 104 104 VAL HA H 95 3.530 3.530 3.741 -0.211 18220 5179 1 10 . 1 1 104 104 VAL C C 95 175.042 175.042 177.771 -2.729 18220 5180 1 10 . 1 1 104 104 VAL CA C 95 66.419 66.419 65.371 1.048 18220 5181 1 10 . 1 1 104 104 VAL CB C 95 31.357 31.357 31.884 -0.527 18220 5182 1 10 . 1 1 104 104 VAL H H 95 8.026 8.026 7.495 0.531 18220 5183 1 10 . 1 1 105 105 LEU N N 96 117.185 117.185 121.435 -4.250 18220 5184 1 10 . 1 1 105 105 LEU HA H 96 3.980 3.980 4.015 -0.035 18220 5185 1 10 . 1 1 105 105 LEU C C 96 176.579 176.579 178.426 -1.847 18220 5186 1 10 . 1 1 105 105 LEU CA C 96 56.800 56.800 57.478 -0.678 18220 5187 1 10 . 1 1 105 105 LEU CB C 96 40.951 40.951 40.866 0.085 18220 5188 1 10 . 1 1 105 105 LEU H H 96 7.893 7.893 7.782 0.111 18220 5189 1 10 . 1 1 106 106 LEU N N 97 118.471 118.471 117.514 0.957 18220 5190 1 10 . 1 1 106 106 LEU HA H 97 4.180 4.180 3.965 0.215 18220 5191 1 10 . 1 1 106 106 LEU C C 97 175.802 175.802 178.963 -3.161 18220 5192 1 10 . 1 1 106 106 LEU CA C 97 56.300 56.300 57.380 -1.079 18220 5193 1 10 . 1 1 106 106 LEU CB C 97 41.592 41.592 41.692 -0.100 18220 5194 1 10 . 1 1 106 106 LEU H H 97 7.545 7.545 7.578 -0.033 18220 5195 1 10 . 1 1 107 107 LEU N N 98 118.162 118.162 118.132 0.030 18220 5196 1 10 . 1 1 107 107 LEU HA H 98 4.230 4.230 4.133 0.097 18220 5197 1 10 . 1 1 107 107 LEU C C 98 174.174 174.174 178.139 -3.965 18220 5198 1 10 . 1 1 107 107 LEU CA C 98 56.283 56.283 56.955 -0.672 18220 5199 1 10 . 1 1 107 107 LEU CB C 98 42.362 42.362 42.470 -0.108 18220 5200 1 10 . 1 1 107 107 LEU H H 98 7.688 7.688 7.617 0.071 18220 5201 1 11 . 1 1 11 11 ASP N N 2 120.536 120.536 121.810 -1.274 18220 5202 1 11 . 1 1 11 11 ASP CA C 2 55.918 55.918 54.507 1.411 18220 5203 1 11 . 1 1 11 11 ASP CB C 2 37.959 37.959 42.085 -4.126 18220 5204 1 11 . 1 1 11 11 ASP H H 2 7.863 7.863 8.324 -0.461 18220 5205 1 11 . 1 1 12 12 LEU N N 3 121.414 121.414 126.082 -4.668 18220 5206 1 11 . 1 1 12 12 LEU C C 3 176.162 176.162 175.932 0.230 18220 5207 1 11 . 1 1 12 12 LEU CA C 3 57.600 57.600 54.776 2.824 18220 5208 1 11 . 1 1 12 12 LEU CB C 3 41.657 41.657 42.306 -0.649 18220 5209 1 11 . 1 1 12 12 LEU H H 3 8.285 8.285 8.415 -0.130 18220 5210 1 11 . 1 1 13 13 ILE N N 4 118.854 118.854 121.505 -2.651 18220 5211 1 11 . 1 1 13 13 ILE HA H 4 3.740 3.740 4.614 -0.874 18220 5212 1 11 . 1 1 13 13 ILE C C 4 175.228 175.228 175.420 -0.192 18220 5213 1 11 . 1 1 13 13 ILE CA C 4 64.500 64.500 59.634 4.866 18220 5214 1 11 . 1 1 13 13 ILE CB C 4 37.102 37.102 40.977 -3.875 18220 5215 1 11 . 1 1 13 13 ILE H H 4 8.031 8.031 8.079 -0.048 18220 5216 1 11 . 1 1 14 14 GLY N N 5 107.478 107.478 109.055 -1.577 18220 5217 1 11 . 1 1 14 14 GLY C C 5 174.424 174.424 175.534 -1.110 18220 5218 1 11 . 1 1 14 14 GLY CA C 5 47.059 47.059 45.484 1.575 18220 5219 1 11 . 1 1 14 14 GLY H H 5 8.148 8.148 8.364 -0.216 18220 5220 1 11 . 1 1 15 15 PHE N N 6 122.774 122.774 126.780 -4.006 18220 5221 1 11 . 1 1 15 15 PHE HA H 6 4.480 4.480 4.250 0.230 18220 5222 1 11 . 1 1 15 15 PHE C C 6 175.113 175.113 177.758 -2.645 18220 5223 1 11 . 1 1 15 15 PHE CA C 6 60.017 60.017 60.910 -0.893 18220 5224 1 11 . 1 1 15 15 PHE CB C 6 38.774 38.774 39.142 -0.368 18220 5225 1 11 . 1 1 15 15 PHE H H 6 8.194 8.194 8.345 -0.151 18220 5226 1 11 . 1 1 16 16 GLY N N 7 107.938 107.938 107.408 0.530 18220 5227 1 11 . 1 1 16 16 GLY C C 7 171.838 171.838 176.019 -4.181 18220 5228 1 11 . 1 1 16 16 GLY CA C 7 47.100 47.100 47.600 -0.500 18220 5229 1 11 . 1 1 16 16 GLY H H 7 8.697 8.697 8.619 0.078 18220 5230 1 11 . 1 1 17 17 TYR N N 8 121.785 121.785 123.196 -1.411 18220 5231 1 11 . 1 1 17 17 TYR HA H 8 4.150 4.150 4.122 0.028 18220 5232 1 11 . 1 1 17 17 TYR C C 8 174.180 174.180 177.662 -3.482 18220 5233 1 11 . 1 1 17 17 TYR CA C 8 61.300 61.300 61.123 0.177 18220 5234 1 11 . 1 1 17 17 TYR CB C 8 37.959 37.959 38.289 -0.330 18220 5235 1 11 . 1 1 17 17 TYR H H 8 8.710 8.710 8.375 0.335 18220 5236 1 11 . 1 1 18 18 ALA N N 9 120.233 120.233 120.787 -0.554 18220 5237 1 11 . 1 1 18 18 ALA HA H 9 3.950 3.950 3.883 0.067 18220 5238 1 11 . 1 1 18 18 ALA C C 9 178.059 178.059 179.337 -1.278 18220 5239 1 11 . 1 1 18 18 ALA CA C 9 54.872 54.872 54.975 -0.103 18220 5240 1 11 . 1 1 18 18 ALA CB C 9 17.562 17.562 17.576 -0.014 18220 5241 1 11 . 1 1 18 18 ALA H H 9 7.843 7.843 8.137 -0.294 18220 5242 1 11 . 1 1 19 19 ALA N N 10 121.797 121.797 121.117 0.680 18220 5243 1 11 . 1 1 19 19 ALA HA H 10 3.950 3.950 4.161 -0.211 18220 5244 1 11 . 1 1 19 19 ALA C C 10 176.191 176.191 179.613 -3.422 18220 5245 1 11 . 1 1 19 19 ALA CA C 10 54.600 54.600 54.717 -0.117 18220 5246 1 11 . 1 1 19 19 ALA CB C 10 17.562 17.562 18.361 -0.799 18220 5247 1 11 . 1 1 19 19 ALA H H 10 8.212 8.212 7.975 0.237 18220 5248 1 11 . 1 1 20 20 LEU N N 11 119.442 119.442 121.009 -1.567 18220 5249 1 11 . 1 1 20 20 LEU HA H 11 3.937 3.937 4.074 -0.137 18220 5250 1 11 . 1 1 20 20 LEU C C 11 176.694 176.694 178.536 -1.842 18220 5251 1 11 . 1 1 20 20 LEU CA C 11 57.800 57.800 58.146 -0.346 18220 5252 1 11 . 1 1 20 20 LEU CB C 11 41.222 41.222 42.046 -0.824 18220 5253 1 11 . 1 1 20 20 LEU H H 11 8.065 8.065 7.903 0.162 18220 5254 1 11 . 1 1 21 21 VAL N N 12 118.323 118.323 118.702 -0.379 18220 5255 1 11 . 1 1 21 21 VAL HA H 12 3.640 3.640 3.410 0.230 18220 5256 1 11 . 1 1 21 21 VAL C C 12 176.536 176.536 177.997 -1.461 18220 5257 1 11 . 1 1 21 21 VAL CA C 12 65.400 65.400 67.453 -2.053 18220 5258 1 11 . 1 1 21 21 VAL CB C 12 31.135 31.135 31.134 0.002 18220 5259 1 11 . 1 1 21 21 VAL H H 12 8.051 8.051 8.244 -0.193 18220 5260 1 11 . 1 1 22 22 THR N N 13 118.298 118.298 116.411 1.887 18220 5261 1 11 . 1 1 22 22 THR HA H 13 4.660 4.660 3.881 0.779 18220 5262 1 11 . 1 1 22 22 THR C C 13 173.734 173.734 176.333 -2.599 18220 5263 1 11 . 1 1 22 22 THR CA C 13 66.300 66.300 67.474 -1.174 18220 5264 1 11 . 1 1 22 22 THR CB C 13 67.775 67.775 68.747 -0.972 18220 5265 1 11 . 1 1 22 22 THR H H 13 7.944 7.944 8.027 -0.083 18220 5266 1 11 . 1 1 23 23 PHE N N 14 121.328 121.328 121.356 -0.028 18220 5267 1 11 . 1 1 23 23 PHE HA H 14 4.340 4.340 4.018 0.322 18220 5268 1 11 . 1 1 23 23 PHE C C 14 174.783 174.783 177.834 -3.051 18220 5269 1 11 . 1 1 23 23 PHE CA C 14 60.500 60.500 61.529 -1.028 18220 5270 1 11 . 1 1 23 23 PHE CB C 14 38.626 38.626 38.596 0.030 18220 5271 1 11 . 1 1 23 23 PHE H H 14 8.567 8.567 8.274 0.293 18220 5272 1 11 . 1 1 24 24 GLY N N 15 106.871 106.871 105.971 0.900 18220 5273 1 11 . 1 1 24 24 GLY C C 15 172.858 172.858 176.290 -3.432 18220 5274 1 11 . 1 1 24 24 GLY CA C 15 46.900 46.900 47.197 -0.297 18220 5275 1 11 . 1 1 24 24 GLY H H 15 8.475 8.475 8.453 0.022 18220 5276 1 11 . 1 1 25 25 SER N N 16 116.214 116.214 117.978 -1.764 18220 5277 1 11 . 1 1 25 25 SER HA H 16 4.280 4.280 4.133 0.147 18220 5278 1 11 . 1 1 25 25 SER CA C 16 60.300 60.300 61.489 -1.189 18220 5279 1 11 . 1 1 25 25 SER CB C 16 62.879 62.879 62.980 -0.101 18220 5280 1 11 . 1 1 25 25 SER H H 16 7.963 7.963 8.387 -0.424 18220 5281 1 11 . 1 1 26 26 ILE N N 17 121.024 121.024 121.131 -0.107 18220 5282 1 11 . 1 1 26 26 ILE HA H 17 3.946 3.946 3.541 0.405 18220 5283 1 11 . 1 1 26 26 ILE C C 17 173.935 173.935 178.362 -4.427 18220 5284 1 11 . 1 1 26 26 ILE CA C 17 63.100 63.100 64.616 -1.516 18220 5285 1 11 . 1 1 26 26 ILE CB C 17 38.107 38.107 37.753 0.354 18220 5286 1 11 . 1 1 26 26 ILE H H 17 7.676 7.676 8.334 -0.658 18220 5287 1 11 . 1 1 27 27 PHE N N 18 117.142 117.142 119.903 -2.761 18220 5288 1 11 . 1 1 27 27 PHE HA H 18 4.430 4.430 4.287 0.143 18220 5289 1 11 . 1 1 27 27 PHE C C 18 173.504 173.504 177.400 -3.896 18220 5290 1 11 . 1 1 27 27 PHE CA C 18 58.500 58.500 61.013 -2.513 18220 5291 1 11 . 1 1 27 27 PHE CB C 18 38.774 38.774 39.029 -0.255 18220 5292 1 11 . 1 1 27 27 PHE H H 18 7.703 7.703 8.351 -0.648 18220 5293 1 11 . 1 1 28 28 GLY N N 19 107.303 107.303 104.061 3.242 18220 5294 1 11 . 1 1 28 28 GLY C C 19 171.593 171.593 174.010 -2.417 18220 5295 1 11 . 1 1 28 28 GLY CA C 19 45.600 45.600 45.333 0.267 18220 5296 1 11 . 1 1 28 28 GLY H H 19 7.722 7.722 7.922 -0.200 18220 5297 1 11 . 1 1 29 29 TYR N N 20 119.862 119.862 118.752 1.110 18220 5298 1 11 . 1 1 29 29 TYR HA H 20 4.392 4.392 4.070 0.322 18220 5299 1 11 . 1 1 29 29 TYR C C 20 173.174 173.174 174.995 -1.821 18220 5300 1 11 . 1 1 29 29 TYR CA C 20 58.500 58.500 59.251 -0.751 18220 5301 1 11 . 1 1 29 29 TYR CB C 20 38.404 38.404 37.812 0.592 18220 5302 1 11 . 1 1 29 29 TYR H H 20 7.880 7.880 7.846 0.034 18220 5303 1 11 . 1 1 30 30 LYS N N 21 122.335 122.335 126.364 -4.029 18220 5304 1 11 . 1 1 30 30 LYS HA H 21 4.390 4.390 4.440 -0.050 18220 5305 1 11 . 1 1 30 30 LYS C C 21 173.547 173.547 175.688 -2.141 18220 5306 1 11 . 1 1 30 30 LYS CA C 21 55.800 55.800 56.205 -0.405 18220 5307 1 11 . 1 1 30 30 LYS CB C 21 32.396 32.396 33.245 -0.849 18220 5308 1 11 . 1 1 30 30 LYS H H 21 7.934 7.934 8.399 -0.465 18220 5309 1 11 . 1 1 31 31 ARG N N 22 120.612 120.612 121.186 -0.574 18220 5310 1 11 . 1 1 31 31 ARG C C 22 173.547 173.547 175.804 -2.257 18220 5311 1 11 . 1 1 31 31 ARG CA C 22 55.834 55.834 55.357 0.477 18220 5312 1 11 . 1 1 31 31 ARG CB C 22 30.101 30.101 31.836 -1.735 18220 5313 1 11 . 1 1 31 31 ARG H H 22 7.905 7.905 8.072 -0.167 18220 5314 1 11 . 1 1 32 32 ARG N N 23 121.748 121.748 120.179 1.569 18220 5315 1 11 . 1 1 32 32 ARG HA H 23 4.310 4.310 4.501 -0.191 18220 5316 1 11 . 1 1 32 32 ARG C C 23 173.863 173.863 175.020 -1.157 18220 5317 1 11 . 1 1 32 32 ARG CA C 23 55.800 55.800 56.134 -0.334 18220 5318 1 11 . 1 1 32 32 ARG CB C 23 30.245 30.245 31.847 -1.602 18220 5319 1 11 . 1 1 32 32 ARG H H 23 8.175 8.175 8.975 -0.800 18220 5320 1 11 . 1 1 33 33 GLY N N 24 109.528 109.528 108.841 0.687 18220 5321 1 11 . 1 1 33 33 GLY C C 24 171.752 171.752 174.815 -3.063 18220 5322 1 11 . 1 1 33 33 GLY CA C 24 44.900 44.900 45.569 -0.669 18220 5323 1 11 . 1 1 33 33 GLY H H 24 8.264 8.264 8.740 -0.476 18220 5324 1 11 . 1 1 34 34 GLY N N 25 108.563 108.563 108.532 0.031 18220 5325 1 11 . 1 1 34 34 GLY C C 25 171.701 171.701 174.135 -2.434 18220 5326 1 11 . 1 1 34 34 GLY CA C 25 44.600 44.600 45.177 -0.577 18220 5327 1 11 . 1 1 34 34 GLY H H 25 8.208 8.208 8.668 -0.460 18220 5328 1 11 . 1 1 35 35 VAL N N 26 121.164 121.164 120.216 0.948 18220 5329 1 11 . 1 1 35 35 VAL HA H 26 4.010 4.010 4.438 -0.428 18220 5330 1 11 . 1 1 35 35 VAL C C 26 175.888 175.888 174.068 1.820 18220 5331 1 11 . 1 1 35 35 VAL CA C 26 63.900 63.900 58.001 5.899 18220 5332 1 11 . 1 1 35 35 VAL CB C 26 30.690 30.690 32.242 -1.552 18220 5333 1 11 . 1 1 35 35 VAL H H 26 8.485 8.485 7.959 0.526 18220 5334 1 11 . 1 1 36 36 PRO C C 27 177.660 177.660 177.801 -0.141 18220 5335 1 11 . 1 1 36 36 PRO CA C 27 61.847 61.847 63.118 -1.272 18220 5336 1 11 . 1 1 37 37 SER N N 28 116.023 116.023 114.977 1.046 18220 5337 1 11 . 1 1 37 37 SER HA H 28 4.280 4.280 4.051 0.229 18220 5338 1 11 . 1 1 37 37 SER CA C 28 61.100 61.100 60.684 0.416 18220 5339 1 11 . 1 1 37 37 SER H H 28 7.948 7.948 8.420 -0.472 18220 5340 1 11 . 1 1 38 38 LEU N N 29 124.029 124.029 121.992 2.037 18220 5341 1 11 . 1 1 38 38 LEU HA H 29 4.170 4.170 3.930 0.240 18220 5342 1 11 . 1 1 38 38 LEU C C 29 176.132 176.132 178.839 -2.707 18220 5343 1 11 . 1 1 38 38 LEU CA C 29 57.500 57.500 58.220 -0.720 18220 5344 1 11 . 1 1 38 38 LEU CB C 29 42.038 42.038 42.087 -0.049 18220 5345 1 11 . 1 1 38 38 LEU H H 29 8.201 8.201 7.884 0.317 18220 5346 1 11 . 1 1 39 39 ILE N N 30 117.098 117.098 115.814 1.284 18220 5347 1 11 . 1 1 39 39 ILE HA H 30 4.370 4.370 3.656 0.714 18220 5348 1 11 . 1 1 39 39 ILE C C 30 176.478 176.478 177.364 -0.886 18220 5349 1 11 . 1 1 39 39 ILE CA C 30 63.079 63.079 64.973 -1.894 18220 5350 1 11 . 1 1 39 39 ILE CB C 30 36.973 36.973 36.480 0.493 18220 5351 1 11 . 1 1 39 39 ILE H H 30 7.662 7.662 7.463 0.199 18220 5352 1 11 . 1 1 40 40 ALA N N 31 122.447 122.447 121.992 0.455 18220 5353 1 11 . 1 1 40 40 ALA HA H 31 4.034 4.034 4.033 0.001 18220 5354 1 11 . 1 1 40 40 ALA C C 31 177.067 177.067 179.944 -2.877 18220 5355 1 11 . 1 1 40 40 ALA CA C 31 55.962 55.962 55.364 0.598 18220 5356 1 11 . 1 1 40 40 ALA CB C 31 17.856 17.856 17.555 0.301 18220 5357 1 11 . 1 1 40 40 ALA H H 31 8.096 8.096 7.901 0.195 18220 5358 1 11 . 1 1 41 41 GLY N N 32 104.056 104.056 107.001 -2.945 18220 5359 1 11 . 1 1 41 41 GLY C C 32 174.251 174.251 176.414 -2.163 18220 5360 1 11 . 1 1 41 41 GLY CA C 32 46.500 46.500 46.815 -0.315 18220 5361 1 11 . 1 1 41 41 GLY H H 32 8.123 8.123 7.907 0.216 18220 5362 1 11 . 1 1 42 42 LEU N N 33 123.250 123.250 123.983 -0.733 18220 5363 1 11 . 1 1 42 42 LEU HA H 33 3.857 3.857 4.196 -0.339 18220 5364 1 11 . 1 1 42 42 LEU C C 33 176.033 176.033 178.620 -2.587 18220 5365 1 11 . 1 1 42 42 LEU CA C 33 56.668 56.668 57.603 -0.935 18220 5366 1 11 . 1 1 42 42 LEU CB C 33 41.721 41.721 40.974 0.748 18220 5367 1 11 . 1 1 42 42 LEU H H 33 7.914 7.914 8.104 -0.190 18220 5368 1 11 . 1 1 43 43 PHE N N 34 119.757 119.757 118.745 1.012 18220 5369 1 11 . 1 1 43 43 PHE HA H 34 4.200 4.200 4.071 0.129 18220 5370 1 11 . 1 1 43 43 PHE C C 34 174.374 174.374 178.295 -3.921 18220 5371 1 11 . 1 1 43 43 PHE CA C 34 59.876 59.876 62.592 -2.716 18220 5372 1 11 . 1 1 43 43 PHE CB C 34 38.834 38.834 38.233 0.600 18220 5373 1 11 . 1 1 43 43 PHE H H 34 8.287 8.287 8.558 -0.271 18220 5374 1 11 . 1 1 44 44 VAL N N 35 117.791 117.791 118.282 -0.491 18220 5375 1 11 . 1 1 44 44 VAL HA H 35 3.610 3.610 3.564 0.046 18220 5376 1 11 . 1 1 44 44 VAL C C 35 176.205 176.205 178.201 -1.996 18220 5377 1 11 . 1 1 44 44 VAL CA C 35 64.559 64.559 67.537 -2.978 18220 5378 1 11 . 1 1 44 44 VAL CB C 35 31.432 31.432 31.267 0.164 18220 5379 1 11 . 1 1 44 44 VAL H H 35 8.235 8.235 8.475 -0.240 18220 5380 1 11 . 1 1 45 45 GLY N N 36 108.551 108.551 107.611 0.940 18220 5381 1 11 . 1 1 45 45 GLY C C 36 173.749 173.749 176.186 -2.437 18220 5382 1 11 . 1 1 45 45 GLY CA C 36 46.083 46.083 47.480 -1.397 18220 5383 1 11 . 1 1 45 45 GLY H H 36 8.178 8.178 8.139 0.039 18220 5384 1 11 . 1 1 46 46 CYS N N 37 121.173 121.173 121.269 -0.096 18220 5385 1 11 . 1 1 46 46 CYS HA H 37 4.180 4.180 4.010 0.170 18220 5386 1 11 . 1 1 46 46 CYS C C 37 173.710 173.710 176.987 -3.277 18220 5387 1 11 . 1 1 46 46 CYS CA C 37 63.000 63.000 64.570 -1.570 18220 5388 1 11 . 1 1 46 46 CYS CB C 37 60.283 60.283 27.317 32.966 18220 5389 1 11 . 1 1 46 46 CYS H H 37 8.253 8.253 8.391 -0.138 18220 5390 1 11 . 1 1 47 47 LEU N N 38 120.283 120.283 120.973 -0.690 18220 5391 1 11 . 1 1 47 47 LEU HA H 38 4.060 4.060 3.846 0.214 18220 5392 1 11 . 1 1 47 47 LEU C C 38 176.679 176.679 178.208 -1.529 18220 5393 1 11 . 1 1 47 47 LEU CA C 38 56.027 56.027 58.161 -2.135 18220 5394 1 11 . 1 1 47 47 LEU CB C 38 41.464 41.464 41.866 -0.402 18220 5395 1 11 . 1 1 47 47 LEU H H 38 7.965 7.965 8.253 -0.288 18220 5396 1 11 . 1 1 48 48 ALA N N 39 122.249 122.249 120.695 1.554 18220 5397 1 11 . 1 1 48 48 ALA HA H 39 4.142 4.142 3.941 0.201 18220 5398 1 11 . 1 1 48 48 ALA C C 39 177.915 177.915 179.348 -1.433 18220 5399 1 11 . 1 1 48 48 ALA CA C 39 53.717 53.717 55.454 -1.737 18220 5400 1 11 . 1 1 48 48 ALA CB C 39 17.985 17.985 18.041 -0.056 18220 5401 1 11 . 1 1 48 48 ALA H H 39 8.066 8.066 8.420 -0.354 18220 5402 1 11 . 1 1 49 49 GLY N N 40 107.377 107.377 107.370 0.007 18220 5403 1 11 . 1 1 49 49 GLY C C 40 172.527 172.527 175.894 -3.367 18220 5404 1 11 . 1 1 49 49 GLY CA C 40 45.450 45.450 47.144 -1.694 18220 5405 1 11 . 1 1 49 49 GLY H H 40 8.172 8.172 8.208 -0.036 18220 5406 1 11 . 1 1 50 50 TYR N N 41 122.409 122.409 123.527 -1.118 18220 5407 1 11 . 1 1 50 50 TYR HA H 41 3.799 3.799 3.986 -0.187 18220 5408 1 11 . 1 1 50 50 TYR C C 41 174.208 174.208 178.085 -3.877 18220 5409 1 11 . 1 1 50 50 TYR CA C 41 59.245 59.245 61.427 -2.182 18220 5410 1 11 . 1 1 50 50 TYR CB C 41 37.936 37.936 38.213 -0.277 18220 5411 1 11 . 1 1 50 50 TYR H H 41 7.800 7.800 8.395 -0.595 18220 5412 1 11 . 1 1 51 51 GLY N N 42 106.935 106.935 106.114 0.821 18220 5413 1 11 . 1 1 51 51 GLY C C 42 172.642 172.642 175.600 -2.958 18220 5414 1 11 . 1 1 51 51 GLY CA C 42 46.265 46.265 46.900 -0.635 18220 5415 1 11 . 1 1 51 51 GLY H H 42 8.199 8.199 8.135 0.064 18220 5416 1 11 . 1 1 52 52 ALA N N 43 123.018 123.018 124.439 -1.421 18220 5417 1 11 . 1 1 52 52 ALA HA H 43 4.150 4.150 4.004 0.146 18220 5418 1 11 . 1 1 52 52 ALA C C 43 176.398 176.398 178.939 -2.541 18220 5419 1 11 . 1 1 52 52 ALA CA C 43 52.883 52.883 54.660 -1.777 18220 5420 1 11 . 1 1 52 52 ALA CB C 43 18.241 18.241 18.261 -0.020 18220 5421 1 11 . 1 1 52 52 ALA H H 43 7.758 7.758 8.371 -0.613 18220 5422 1 11 . 1 1 53 53 TYR N N 44 119.664 119.664 118.299 1.365 18220 5423 1 11 . 1 1 53 53 TYR HA H 44 4.318 4.318 4.209 0.109 18220 5424 1 11 . 1 1 53 53 TYR C C 44 174.180 174.180 176.489 -2.309 18220 5425 1 11 . 1 1 53 53 TYR CA C 44 58.593 58.593 61.091 -2.498 18220 5426 1 11 . 1 1 53 53 TYR CB C 44 38.192 38.192 38.654 -0.462 18220 5427 1 11 . 1 1 53 53 TYR H H 44 7.920 7.920 7.950 -0.030 18220 5428 1 11 . 1 1 54 54 ARG N N 45 119.516 119.516 118.630 0.886 18220 5429 1 11 . 1 1 54 54 ARG HA H 45 3.930 3.930 4.162 -0.232 18220 5430 1 11 . 1 1 54 54 ARG C C 45 174.423 174.423 178.055 -3.632 18220 5431 1 11 . 1 1 54 54 ARG CA C 45 56.027 56.027 57.809 -1.782 18220 5432 1 11 . 1 1 54 54 ARG CB C 45 30.173 30.173 31.281 -1.108 18220 5433 1 11 . 1 1 54 54 ARG H H 45 7.956 7.956 7.823 0.133 18220 5434 1 11 . 1 1 55 55 VAL N N 46 116.437 116.437 117.829 -1.392 18220 5435 1 11 . 1 1 55 55 VAL HA H 46 4.060 4.060 3.879 0.181 18220 5436 1 11 . 1 1 55 55 VAL C C 46 173.806 173.806 176.527 -2.721 18220 5437 1 11 . 1 1 55 55 VAL CA C 46 62.300 62.300 64.583 -2.283 18220 5438 1 11 . 1 1 55 55 VAL CB C 46 31.521 31.521 32.150 -0.629 18220 5439 1 11 . 1 1 55 55 VAL H H 46 7.489 7.489 8.127 -0.638 18220 5440 1 11 . 1 1 56 56 SER N N 47 117.185 117.185 115.431 1.754 18220 5441 1 11 . 1 1 56 56 SER HA H 47 4.401 4.401 4.117 0.284 18220 5442 1 11 . 1 1 56 56 SER C C 47 172.074 172.074 173.888 -1.814 18220 5443 1 11 . 1 1 56 56 SER CA C 47 58.133 58.133 58.769 -0.636 18220 5444 1 11 . 1 1 56 56 SER CB C 47 63.468 63.468 62.406 1.062 18220 5445 1 11 . 1 1 56 56 SER H H 47 7.728 7.728 7.687 0.041 18220 5446 1 11 . 1 1 57 57 ASN N N 48 121.049 121.049 124.381 -3.332 18220 5447 1 11 . 1 1 57 57 ASN HA H 48 4.590 4.590 4.825 -0.235 18220 5448 1 11 . 1 1 57 57 ASN CA C 48 53.600 53.600 54.438 -0.838 18220 5449 1 11 . 1 1 57 57 ASN CB C 48 38.641 38.641 38.587 0.054 18220 5450 1 11 . 1 1 57 57 ASN H H 48 8.228 8.228 8.771 -0.543 18220 5451 1 11 . 1 1 58 58 ASP N N 49 120.276 120.276 118.573 1.703 18220 5452 1 11 . 1 1 58 58 ASP HA H 49 4.530 4.530 4.537 -0.007 18220 5453 1 11 . 1 1 58 58 ASP CA C 49 54.202 54.202 54.893 -0.691 18220 5454 1 11 . 1 1 58 58 ASP CB C 49 40.374 40.374 41.007 -0.633 18220 5455 1 11 . 1 1 58 58 ASP H H 49 8.192 8.192 8.213 -0.021 18220 5456 1 11 . 1 1 59 59 LYS N N 50 120.660 120.660 117.913 2.747 18220 5457 1 11 . 1 1 59 59 LYS HA H 50 4.200 4.200 4.423 -0.223 18220 5458 1 11 . 1 1 59 59 LYS C C 50 173.474 173.474 174.015 -0.541 18220 5459 1 11 . 1 1 59 59 LYS CA C 50 56.300 56.300 56.051 0.249 18220 5460 1 11 . 1 1 59 59 LYS CB C 50 32.034 32.034 34.321 -2.287 18220 5461 1 11 . 1 1 59 59 LYS H H 50 8.003 8.003 7.698 0.305 18220 5462 1 11 . 1 1 60 60 ARG N N 51 121.278 121.278 118.543 2.735 18220 5463 1 11 . 1 1 60 60 ARG HA H 51 4.200 4.200 4.494 -0.294 18220 5464 1 11 . 1 1 60 60 ARG C C 51 173.303 173.303 174.329 -1.026 18220 5465 1 11 . 1 1 60 60 ARG CA C 51 56.283 56.283 56.730 -0.447 18220 5466 1 11 . 1 1 60 60 ARG CB C 51 30.238 30.238 29.448 0.790 18220 5467 1 11 . 1 1 60 60 ARG H H 51 8.091 8.091 8.629 -0.538 18220 5468 1 11 . 1 1 61 61 ASP N N 52 121.185 121.185 121.025 0.160 18220 5469 1 11 . 1 1 61 61 ASP HA H 52 4.615 4.615 4.679 -0.064 18220 5470 1 11 . 1 1 61 61 ASP C C 52 173.777 173.777 176.733 -2.956 18220 5471 1 11 . 1 1 61 61 ASP CA C 52 53.979 53.979 54.114 -0.135 18220 5472 1 11 . 1 1 61 61 ASP CB C 52 40.245 40.245 41.586 -1.341 18220 5473 1 11 . 1 1 61 61 ASP H H 52 8.261 8.261 7.900 0.361 18220 5474 1 11 . 1 1 62 62 VAL N N 53 121.902 121.902 123.629 -1.727 18220 5475 1 11 . 1 1 62 62 VAL HA H 53 3.950 3.950 3.421 0.529 18220 5476 1 11 . 1 1 62 62 VAL C C 53 173.279 173.279 176.769 -3.490 18220 5477 1 11 . 1 1 62 62 VAL CA C 53 63.176 63.176 66.002 -2.826 18220 5478 1 11 . 1 1 62 62 VAL CB C 53 32.099 32.099 30.459 1.640 18220 5479 1 11 . 1 1 62 62 VAL H H 53 7.997 7.997 8.458 -0.461 18220 5480 1 11 . 1 1 63 63 LYS N N 54 123.522 123.522 120.447 3.075 18220 5481 1 11 . 1 1 63 63 LYS HA H 54 4.260 4.260 4.006 0.254 18220 5482 1 11 . 1 1 63 63 LYS C C 54 174.481 174.481 178.084 -3.603 18220 5483 1 11 . 1 1 63 63 LYS CA C 54 56.347 56.347 60.163 -3.816 18220 5484 1 11 . 1 1 63 63 LYS CB C 54 32.099 32.099 32.359 -0.260 18220 5485 1 11 . 1 1 63 63 LYS H H 54 8.054 8.054 8.368 -0.314 18220 5486 1 11 . 1 1 64 64 VAL N N 55 120.647 120.647 115.905 4.742 18220 5487 1 11 . 1 1 64 64 VAL HA H 55 3.947 3.947 3.863 0.084 18220 5488 1 11 . 1 1 64 64 VAL C C 55 174.955 174.955 178.223 -3.268 18220 5489 1 11 . 1 1 64 64 VAL CA C 55 64.600 64.600 66.374 -1.774 18220 5490 1 11 . 1 1 64 64 VAL CB C 55 31.877 31.877 30.918 0.959 18220 5491 1 11 . 1 1 64 64 VAL H H 55 8.225 8.225 8.171 0.054 18220 5492 1 11 . 1 1 65 65 SER N N 56 117.785 117.785 115.103 2.682 18220 5493 1 11 . 1 1 65 65 SER HA H 56 4.390 4.390 4.206 0.184 18220 5494 1 11 . 1 1 65 65 SER C C 56 172.300 172.300 176.921 -4.621 18220 5495 1 11 . 1 1 65 65 SER CA C 56 60.000 60.000 61.798 -1.798 18220 5496 1 11 . 1 1 65 65 SER CB C 56 62.879 62.879 62.529 0.350 18220 5497 1 11 . 1 1 65 65 SER H H 56 8.260 8.260 7.711 0.549 18220 5498 1 11 . 1 1 66 66 LEU N N 57 123.318 123.318 122.088 1.230 18220 5499 1 11 . 1 1 66 66 LEU HA H 57 4.090 4.090 3.948 0.142 18220 5500 1 11 . 1 1 66 66 LEU C C 57 175.932 175.932 178.920 -2.988 18220 5501 1 11 . 1 1 66 66 LEU CA C 57 57.502 57.502 58.692 -1.190 18220 5502 1 11 . 1 1 66 66 LEU CB C 57 41.721 41.721 41.984 -0.264 18220 5503 1 11 . 1 1 66 66 LEU H H 57 8.091 8.091 8.136 -0.045 18220 5504 1 11 . 1 1 67 67 PHE N N 58 118.020 118.020 117.516 0.504 18220 5505 1 11 . 1 1 67 67 PHE HA H 58 4.330 4.330 4.415 -0.085 18220 5506 1 11 . 1 1 67 67 PHE C C 58 174.912 174.912 178.311 -3.399 18220 5507 1 11 . 1 1 67 67 PHE CA C 58 60.600 60.600 62.190 -1.590 18220 5508 1 11 . 1 1 67 67 PHE CB C 58 38.552 38.552 38.841 -0.289 18220 5509 1 11 . 1 1 67 67 PHE H H 58 8.066 8.066 8.527 -0.461 18220 5510 1 11 . 1 1 68 68 THR N N 59 115.324 115.324 117.585 -2.261 18220 5511 1 11 . 1 1 68 68 THR HA H 59 4.310 4.310 4.184 0.126 18220 5512 1 11 . 1 1 68 68 THR C C 59 173.380 173.380 176.527 -3.147 18220 5513 1 11 . 1 1 68 68 THR CA C 59 66.313 66.313 67.664 -1.351 18220 5514 1 11 . 1 1 68 68 THR CB C 59 67.700 67.700 68.902 -1.202 18220 5515 1 11 . 1 1 68 68 THR H H 59 8.287 8.287 8.335 -0.048 18220 5516 1 11 . 1 1 69 69 ALA N N 60 123.621 123.621 124.618 -0.997 18220 5517 1 11 . 1 1 69 69 ALA HA H 60 4.280 4.280 4.214 0.066 18220 5518 1 11 . 1 1 69 69 ALA C C 60 176.978 176.978 179.353 -2.375 18220 5519 1 11 . 1 1 69 69 ALA CA C 60 55.100 55.100 55.208 -0.108 18220 5520 1 11 . 1 1 69 69 ALA CB C 60 17.728 17.728 18.110 -0.382 18220 5521 1 11 . 1 1 69 69 ALA H H 60 7.983 7.983 8.655 -0.672 18220 5522 1 11 . 1 1 70 70 PHE N N 61 118.520 118.520 120.275 -1.755 18220 5523 1 11 . 1 1 70 70 PHE HA H 61 4.260 4.260 4.080 0.180 18220 5524 1 11 . 1 1 70 70 PHE C C 61 175.369 175.369 177.457 -2.088 18220 5525 1 11 . 1 1 70 70 PHE CA C 61 60.179 60.179 61.290 -1.111 18220 5526 1 11 . 1 1 70 70 PHE CB C 61 38.706 38.706 38.850 -0.144 18220 5527 1 11 . 1 1 70 70 PHE H H 61 8.007 8.007 8.334 -0.327 18220 5528 1 11 . 1 1 71 71 PHE N N 62 122.314 122.314 118.273 4.041 18220 5529 1 11 . 1 1 71 71 PHE HA H 62 4.000 4.000 4.083 -0.083 18220 5530 1 11 . 1 1 71 71 PHE C C 62 174.697 174.697 177.947 -3.250 18220 5531 1 11 . 1 1 71 71 PHE CA C 62 60.517 60.517 62.359 -1.842 18220 5532 1 11 . 1 1 71 71 PHE CB C 62 38.770 38.770 38.868 -0.098 18220 5533 1 11 . 1 1 71 71 PHE H H 62 8.546 8.546 8.273 0.273 18220 5534 1 11 . 1 1 72 72 LEU N N 63 119.399 119.399 120.502 -1.103 18220 5535 1 11 . 1 1 72 72 LEU HA H 63 3.870 3.870 3.926 -0.056 18220 5536 1 11 . 1 1 72 72 LEU C C 63 175.774 175.774 179.246 -3.472 18220 5537 1 11 . 1 1 72 72 LEU CA C 63 56.925 56.925 58.188 -1.263 18220 5538 1 11 . 1 1 72 72 LEU CB C 63 41.207 41.207 40.690 0.517 18220 5539 1 11 . 1 1 72 72 LEU H H 63 8.396 8.396 8.470 -0.074 18220 5540 1 11 . 1 1 73 73 ALA N N 64 120.221 120.221 120.809 -0.588 18220 5541 1 11 . 1 1 73 73 ALA HA H 64 3.960 3.960 3.840 0.120 18220 5542 1 11 . 1 1 73 73 ALA C C 64 177.267 177.267 179.616 -2.349 18220 5543 1 11 . 1 1 73 73 ALA CA C 64 54.600 54.600 55.254 -0.654 18220 5544 1 11 . 1 1 73 73 ALA CB C 64 17.784 17.784 17.934 -0.150 18220 5545 1 11 . 1 1 73 73 ALA H H 64 8.025 8.025 8.310 -0.285 18220 5546 1 11 . 1 1 74 74 THR N N 65 113.648 113.648 115.328 -1.680 18220 5547 1 11 . 1 1 74 74 THR HA H 65 3.980 3.980 3.811 0.169 18220 5548 1 11 . 1 1 74 74 THR CA C 65 66.291 66.291 67.038 -0.747 18220 5549 1 11 . 1 1 74 74 THR CB C 65 67.914 67.914 68.602 -0.688 18220 5550 1 11 . 1 1 74 74 THR H H 65 7.717 7.717 8.087 -0.370 18220 5551 1 11 . 1 1 75 75 ILE N N 66 120.291 120.291 116.441 3.850 18220 5552 1 11 . 1 1 75 75 ILE HA H 66 3.740 3.740 3.943 -0.203 18220 5553 1 11 . 1 1 75 75 ILE C C 66 174.951 174.951 177.231 -2.280 18220 5554 1 11 . 1 1 75 75 ILE CA C 66 64.880 64.880 63.626 1.254 18220 5555 1 11 . 1 1 75 75 ILE CB C 66 37.166 37.166 37.821 -0.655 18220 5556 1 11 . 1 1 75 75 ILE H H 66 7.738 7.738 7.940 -0.202 18220 5557 1 11 . 1 1 76 76 MET N N 67 117.618 117.618 118.672 -1.054 18220 5558 1 11 . 1 1 76 76 MET HA H 67 4.220 4.220 4.274 -0.054 18220 5559 1 11 . 1 1 76 76 MET C C 67 175.142 175.142 177.248 -2.106 18220 5560 1 11 . 1 1 76 76 MET CA C 67 56.723 56.723 57.580 -0.856 18220 5561 1 11 . 1 1 76 76 MET CB C 67 31.951 31.951 34.369 -2.418 18220 5562 1 11 . 1 1 76 76 MET H H 67 7.823 7.823 8.081 -0.258 18220 5563 1 11 . 1 1 77 77 GLY N N 68 107.110 107.110 105.419 1.691 18220 5564 1 11 . 1 1 77 77 GLY C C 68 172.260 172.260 172.737 -0.477 18220 5565 1 11 . 1 1 77 77 GLY CA C 68 45.800 45.800 45.401 0.399 18220 5566 1 11 . 1 1 77 77 GLY H H 68 7.937 7.937 8.484 -0.547 18220 5567 1 11 . 1 1 78 78 VAL N N 69 120.431 120.431 123.090 -2.659 18220 5568 1 11 . 1 1 78 78 VAL HA H 69 4.220 4.220 4.458 -0.238 18220 5569 1 11 . 1 1 78 78 VAL CA C 69 63.900 63.900 60.145 3.755 18220 5570 1 11 . 1 1 78 78 VAL CB C 69 31.506 31.506 33.385 -1.879 18220 5571 1 11 . 1 1 78 78 VAL H H 69 7.697 7.697 8.167 -0.470 18220 5572 1 11 . 1 1 79 79 ARG N N 70 121.420 121.420 127.361 -5.941 18220 5573 1 11 . 1 1 79 79 ARG HA H 70 3.810 3.810 3.996 -0.186 18220 5574 1 11 . 1 1 79 79 ARG CA C 70 56.400 56.400 58.523 -2.123 18220 5575 1 11 . 1 1 79 79 ARG CB C 70 30.097 30.097 30.463 -0.366 18220 5576 1 11 . 1 1 79 79 ARG H H 70 7.889 7.889 8.610 -0.721 18220 5577 1 11 . 1 1 80 80 PHE N N 71 119.949 119.949 118.318 1.631 18220 5578 1 11 . 1 1 80 80 PHE HA H 71 4.510 4.510 4.476 0.034 18220 5579 1 11 . 1 1 80 80 PHE CA C 71 58.600 58.600 58.358 0.241 18220 5580 1 11 . 1 1 80 80 PHE CB C 71 39.145 39.145 39.889 -0.744 18220 5581 1 11 . 1 1 80 80 PHE H H 71 8.101 8.101 7.830 0.271 18220 5582 1 11 . 1 1 81 81 LYS N N 72 122.193 122.193 122.111 0.082 18220 5583 1 11 . 1 1 81 81 LYS CA C 72 56.800 56.800 55.960 0.840 18220 5584 1 11 . 1 1 81 81 LYS CB C 72 32.322 32.322 32.955 -0.633 18220 5585 1 11 . 1 1 81 81 LYS H H 72 8.090 8.090 7.344 0.746 18220 5586 1 11 . 1 1 82 82 ARG N N 73 119.650 119.650 119.033 0.617 18220 5587 1 11 . 1 1 82 82 ARG CA C 73 56.089 56.089 56.754 -0.665 18220 5588 1 11 . 1 1 82 82 ARG CB C 73 30.171 30.171 30.266 -0.095 18220 5589 1 11 . 1 1 82 82 ARG H H 73 8.052 8.052 8.081 -0.029 18220 5590 1 11 . 1 1 83 83 SER N N 74 115.734 115.734 116.863 -1.129 18220 5591 1 11 . 1 1 83 83 SER CA C 74 58.355 58.355 57.335 1.020 18220 5592 1 11 . 1 1 83 83 SER CB C 74 63.404 63.404 66.445 -3.041 18220 5593 1 11 . 1 1 83 83 SER H H 74 7.912 7.912 8.085 -0.173 18220 5594 1 11 . 1 1 84 84 LYS N N 75 122.370 122.370 120.342 2.028 18220 5595 1 11 . 1 1 84 84 LYS CA C 75 56.135 56.135 56.288 -0.153 18220 5596 1 11 . 1 1 84 84 LYS CB C 75 32.175 32.175 33.346 -1.171 18220 5597 1 11 . 1 1 84 84 LYS H H 75 8.067 8.067 8.568 -0.501 18220 5598 1 11 . 1 1 86 86 ILE N N 77 119.592 119.592 120.095 -0.503 18220 5599 1 11 . 1 1 86 86 ILE HA H 77 3.810 3.810 4.205 -0.395 18220 5600 1 11 . 1 1 86 86 ILE CA C 77 64.900 64.900 60.865 4.035 18220 5601 1 11 . 1 1 86 86 ILE CB C 77 39.145 39.145 38.988 0.157 18220 5602 1 11 . 1 1 86 86 ILE H H 77 7.837 7.837 7.878 -0.041 18220 5603 1 11 . 1 1 87 87 MET N N 78 121.645 121.645 120.399 1.246 18220 5604 1 11 . 1 1 87 87 MET CA C 78 52.982 52.982 55.358 -2.376 18220 5605 1 11 . 1 1 87 87 MET CB C 78 32.173 32.173 31.781 0.392 18220 5606 1 11 . 1 1 87 87 MET H H 78 7.950 7.950 7.734 0.216 18220 5607 1 11 . 1 1 88 88 PRO HA H 79 4.140 4.140 4.622 -0.482 18220 5608 1 11 . 1 1 88 88 PRO C C 79 173.921 173.921 175.880 -1.959 18220 5609 1 11 . 1 1 88 88 PRO CA C 79 62.800 62.800 62.911 -0.111 18220 5610 1 11 . 1 1 88 88 PRO CB C 79 31.136 31.136 29.799 1.337 18220 5611 1 11 . 1 1 89 89 ALA N N 80 124.431 124.431 123.826 0.605 18220 5612 1 11 . 1 1 89 89 ALA HA H 80 4.400 4.400 4.039 0.361 18220 5613 1 11 . 1 1 89 89 ALA C C 80 176.234 176.234 179.030 -2.796 18220 5614 1 11 . 1 1 89 89 ALA CA C 80 53.300 53.300 54.671 -1.371 18220 5615 1 11 . 1 1 89 89 ALA CB C 80 18.498 18.498 18.942 -0.444 18220 5616 1 11 . 1 1 89 89 ALA H H 80 8.320 8.320 8.381 -0.061 18220 5617 1 11 . 1 1 90 90 GLY N N 81 106.834 106.834 107.516 -0.682 18220 5618 1 11 . 1 1 90 90 GLY C C 81 172.398 172.398 175.912 -3.514 18220 5619 1 11 . 1 1 90 90 GLY CA C 81 45.600 45.600 47.312 -1.712 18220 5620 1 11 . 1 1 90 90 GLY H H 81 8.458 8.458 8.588 -0.130 18220 5621 1 11 . 1 1 91 91 LEU N N 82 121.043 121.043 123.294 -2.251 18220 5622 1 11 . 1 1 91 91 LEU HA H 82 4.200 4.200 4.041 0.159 18220 5623 1 11 . 1 1 91 91 LEU C C 82 174.783 174.783 178.866 -4.083 18220 5624 1 11 . 1 1 91 91 LEU CA C 82 56.300 56.300 57.876 -1.576 18220 5625 1 11 . 1 1 91 91 LEU CB C 82 42.106 42.106 41.373 0.733 18220 5626 1 11 . 1 1 91 91 LEU H H 82 7.687 7.687 7.523 0.164 18220 5627 1 11 . 1 1 92 92 VAL N N 83 114.737 114.737 116.368 -1.631 18220 5628 1 11 . 1 1 92 92 VAL HA H 83 3.980 3.980 3.706 0.274 18220 5629 1 11 . 1 1 92 92 VAL C C 83 173.634 173.634 177.930 -4.296 18220 5630 1 11 . 1 1 92 92 VAL CA C 83 62.400 62.400 65.993 -3.593 18220 5631 1 11 . 1 1 92 92 VAL CB C 83 31.585 31.585 30.253 1.333 18220 5632 1 11 . 1 1 92 92 VAL H H 83 7.602 7.602 7.984 -0.382 18220 5633 1 11 . 1 1 93 93 ALA N N 84 124.320 124.320 122.913 1.407 18220 5634 1 11 . 1 1 93 93 ALA HA H 84 4.150 4.150 4.111 0.039 18220 5635 1 11 . 1 1 93 93 ALA C C 84 175.746 175.746 179.743 -3.997 18220 5636 1 11 . 1 1 93 93 ALA CA C 84 53.300 53.300 55.314 -2.014 18220 5637 1 11 . 1 1 93 93 ALA CB C 84 18.241 18.241 18.189 0.052 18220 5638 1 11 . 1 1 93 93 ALA H H 84 7.891 7.891 8.240 -0.349 18220 5639 1 11 . 1 1 94 94 GLY N N 85 106.807 106.807 108.025 -1.218 18220 5640 1 11 . 1 1 94 94 GLY C C 85 171.752 171.752 175.638 -3.886 18220 5641 1 11 . 1 1 94 94 GLY CA C 85 45.249 45.249 46.655 -1.406 18220 5642 1 11 . 1 1 94 94 GLY H H 85 8.204 8.204 8.349 -0.145 18220 5643 1 11 . 1 1 95 95 LEU N N 86 121.266 121.266 123.104 -1.838 18220 5644 1 11 . 1 1 95 95 LEU HA H 86 4.380 4.380 4.062 0.318 18220 5645 1 11 . 1 1 95 95 LEU C C 86 173.702 173.702 178.655 -4.953 18220 5646 1 11 . 1 1 95 95 LEU CA C 86 55.000 55.000 57.475 -2.475 18220 5647 1 11 . 1 1 95 95 LEU CB C 86 42.298 42.298 41.703 0.595 18220 5648 1 11 . 1 1 95 95 LEU H H 86 7.718 7.718 8.177 -0.459 18220 5649 1 11 . 1 1 96 96 SER N N 87 115.658 115.658 114.305 1.353 18220 5650 1 11 . 1 1 96 96 SER HA H 87 4.370 4.370 4.159 0.211 18220 5651 1 11 . 1 1 96 96 SER C C 87 172.479 172.479 176.484 -4.005 18220 5652 1 11 . 1 1 96 96 SER CA C 87 57.200 57.200 62.232 -5.032 18220 5653 1 11 . 1 1 96 96 SER CB C 87 64.174 64.174 63.064 1.110 18220 5654 1 11 . 1 1 96 96 SER H H 87 7.659 7.659 8.005 -0.346 18220 5655 1 11 . 1 1 97 97 LEU N N 88 123.720 123.720 122.820 0.900 18220 5656 1 11 . 1 1 97 97 LEU HA H 88 4.600 4.600 3.891 0.709 18220 5657 1 11 . 1 1 97 97 LEU C C 88 175.932 175.932 178.470 -2.538 18220 5658 1 11 . 1 1 97 97 LEU CA C 88 57.600 57.600 58.169 -0.570 18220 5659 1 11 . 1 1 97 97 LEU CB C 88 41.400 41.400 41.941 -0.541 18220 5660 1 11 . 1 1 97 97 LEU H H 88 8.733 8.733 7.982 0.751 18220 5661 1 11 . 1 1 98 98 MET N N 89 116.684 116.684 117.621 -0.937 18220 5662 1 11 . 1 1 98 98 MET HA H 89 4.280 4.280 3.950 0.330 18220 5663 1 11 . 1 1 98 98 MET C C 89 175.789 175.789 178.548 -2.759 18220 5664 1 11 . 1 1 98 98 MET CA C 89 56.915 56.915 59.718 -2.803 18220 5665 1 11 . 1 1 98 98 MET CB C 89 31.007 31.007 32.602 -1.595 18220 5666 1 11 . 1 1 98 98 MET H H 89 8.342 8.342 8.422 -0.080 18220 5667 1 11 . 1 1 99 99 MET N N 90 119.182 119.182 120.162 -0.980 18220 5668 1 11 . 1 1 99 99 MET HA H 90 4.110 4.110 4.030 0.080 18220 5669 1 11 . 1 1 99 99 MET C C 90 175.588 175.588 178.637 -3.049 18220 5670 1 11 . 1 1 99 99 MET CA C 90 57.951 57.951 59.169 -1.218 18220 5671 1 11 . 1 1 99 99 MET CB C 90 32.226 32.226 32.492 -0.265 18220 5672 1 11 . 1 1 99 99 MET H H 90 7.720 7.720 7.941 -0.221 18220 5673 1 11 . 1 1 100 100 ILE N N 91 119.077 119.077 119.460 -0.383 18220 5674 1 11 . 1 1 100 100 ILE HA H 91 4.110 4.110 3.648 0.462 18220 5675 1 11 . 1 1 100 100 ILE C C 91 174.634 174.634 178.369 -3.735 18220 5676 1 11 . 1 1 100 100 ILE CA C 91 64.100 64.100 65.047 -0.947 18220 5677 1 11 . 1 1 100 100 ILE CB C 91 37.143 37.143 36.950 0.193 18220 5678 1 11 . 1 1 100 100 ILE H H 91 7.662 7.662 8.552 -0.890 18220 5679 1 11 . 1 1 101 101 LEU N N 92 119.646 119.646 119.412 0.234 18220 5680 1 11 . 1 1 101 101 LEU HA H 92 4.530 4.530 3.898 0.632 18220 5681 1 11 . 1 1 101 101 LEU C C 92 175.430 175.430 179.199 -3.769 18220 5682 1 11 . 1 1 101 101 LEU CA C 92 57.800 57.800 58.080 -0.280 18220 5683 1 11 . 1 1 101 101 LEU CB C 92 40.758 40.758 41.627 -0.869 18220 5684 1 11 . 1 1 101 101 LEU H H 92 8.142 8.142 8.187 -0.045 18220 5685 1 11 . 1 1 102 102 ARG N N 93 116.394 116.394 119.172 -2.778 18220 5686 1 11 . 1 1 102 102 ARG HA H 93 4.140 4.140 4.048 0.092 18220 5687 1 11 . 1 1 102 102 ARG C C 93 175.961 175.961 178.570 -2.609 18220 5688 1 11 . 1 1 102 102 ARG CA C 93 59.100 59.100 59.392 -0.292 18220 5689 1 11 . 1 1 102 102 ARG CB C 93 29.404 29.404 29.895 -0.491 18220 5690 1 11 . 1 1 102 102 ARG H H 93 7.893 7.893 8.124 -0.231 18220 5691 1 11 . 1 1 103 103 LEU N N 94 119.114 119.114 121.010 -1.896 18220 5692 1 11 . 1 1 103 103 LEU HA H 94 4.110 4.110 3.975 0.135 18220 5693 1 11 . 1 1 103 103 LEU C C 94 175.889 175.889 178.792 -2.903 18220 5694 1 11 . 1 1 103 103 LEU CA C 94 57.300 57.300 58.448 -1.148 18220 5695 1 11 . 1 1 103 103 LEU CB C 94 41.296 41.296 41.891 -0.595 18220 5696 1 11 . 1 1 103 103 LEU H H 94 7.622 7.622 8.104 -0.482 18220 5697 1 11 . 1 1 104 104 VAL N N 95 117.704 117.704 118.153 -0.449 18220 5698 1 11 . 1 1 104 104 VAL HA H 95 3.530 3.530 3.758 -0.228 18220 5699 1 11 . 1 1 104 104 VAL C C 95 175.042 175.042 178.308 -3.266 18220 5700 1 11 . 1 1 104 104 VAL CA C 95 66.419 66.419 66.148 0.271 18220 5701 1 11 . 1 1 104 104 VAL CB C 95 31.357 31.357 31.800 -0.443 18220 5702 1 11 . 1 1 104 104 VAL H H 95 8.026 8.026 7.319 0.707 18220 5703 1 11 . 1 1 105 105 LEU N N 96 117.185 117.185 120.534 -3.349 18220 5704 1 11 . 1 1 105 105 LEU HA H 96 3.980 3.980 3.993 -0.013 18220 5705 1 11 . 1 1 105 105 LEU C C 96 176.579 176.579 179.072 -2.493 18220 5706 1 11 . 1 1 105 105 LEU CA C 96 56.800 56.800 57.946 -1.146 18220 5707 1 11 . 1 1 105 105 LEU CB C 96 40.951 40.951 41.072 -0.121 18220 5708 1 11 . 1 1 105 105 LEU H H 96 7.893 7.893 7.887 0.006 18220 5709 1 11 . 1 1 106 106 LEU N N 97 118.471 118.471 120.233 -1.762 18220 5710 1 11 . 1 1 106 106 LEU HA H 97 4.180 4.180 3.975 0.205 18220 5711 1 11 . 1 1 106 106 LEU C C 97 175.802 175.802 178.967 -3.165 18220 5712 1 11 . 1 1 106 106 LEU CA C 97 56.300 56.300 57.900 -1.600 18220 5713 1 11 . 1 1 106 106 LEU CB C 97 41.592 41.592 41.426 0.166 18220 5714 1 11 . 1 1 106 106 LEU H H 97 7.545 7.545 8.532 -0.987 18220 5715 1 11 . 1 1 107 107 LEU N N 98 118.162 118.162 118.986 -0.824 18220 5716 1 11 . 1 1 107 107 LEU HA H 98 4.230 4.230 4.057 0.173 18220 5717 1 11 . 1 1 107 107 LEU C C 98 174.174 174.174 178.013 -3.839 18220 5718 1 11 . 1 1 107 107 LEU CA C 98 56.283 56.283 57.035 -0.752 18220 5719 1 11 . 1 1 107 107 LEU CB C 98 42.362 42.362 42.395 -0.033 18220 5720 1 11 . 1 1 107 107 LEU H H 98 7.688 7.688 7.665 0.023 18220 5721 1 12 . 1 1 11 11 ASP N N 2 120.536 120.536 123.289 -2.753 18220 5722 1 12 . 1 1 11 11 ASP CA C 2 55.918 55.918 55.403 0.515 18220 5723 1 12 . 1 1 11 11 ASP CB C 2 37.959 37.959 41.072 -3.112 18220 5724 1 12 . 1 1 11 11 ASP H H 2 7.863 7.863 8.341 -0.478 18220 5725 1 12 . 1 1 12 12 LEU N N 3 121.414 121.414 122.130 -0.716 18220 5726 1 12 . 1 1 12 12 LEU C C 3 176.162 176.162 175.837 0.325 18220 5727 1 12 . 1 1 12 12 LEU CA C 3 57.600 57.600 55.721 1.879 18220 5728 1 12 . 1 1 12 12 LEU CB C 3 41.657 41.657 42.161 -0.504 18220 5729 1 12 . 1 1 12 12 LEU H H 3 8.285 8.285 8.734 -0.449 18220 5730 1 12 . 1 1 13 13 ILE N N 4 118.854 118.854 121.665 -2.811 18220 5731 1 12 . 1 1 13 13 ILE HA H 4 3.740 3.740 4.272 -0.532 18220 5732 1 12 . 1 1 13 13 ILE C C 4 175.228 175.228 174.991 0.237 18220 5733 1 12 . 1 1 13 13 ILE CA C 4 64.500 64.500 60.941 3.558 18220 5734 1 12 . 1 1 13 13 ILE CB C 4 37.102 37.102 40.975 -3.873 18220 5735 1 12 . 1 1 13 13 ILE H H 4 8.031 8.031 8.088 -0.057 18220 5736 1 12 . 1 1 14 14 GLY N N 5 107.478 107.478 114.487 -7.009 18220 5737 1 12 . 1 1 14 14 GLY C C 5 174.424 174.424 175.222 -0.798 18220 5738 1 12 . 1 1 14 14 GLY CA C 5 47.059 47.059 45.968 1.091 18220 5739 1 12 . 1 1 14 14 GLY H H 5 8.148 8.148 8.441 -0.293 18220 5740 1 12 . 1 1 15 15 PHE N N 6 122.774 122.774 127.163 -4.389 18220 5741 1 12 . 1 1 15 15 PHE HA H 6 4.480 4.480 4.067 0.413 18220 5742 1 12 . 1 1 15 15 PHE C C 6 175.113 175.113 177.651 -2.538 18220 5743 1 12 . 1 1 15 15 PHE CA C 6 60.017 60.017 61.644 -1.627 18220 5744 1 12 . 1 1 15 15 PHE CB C 6 38.774 38.774 39.110 -0.336 18220 5745 1 12 . 1 1 15 15 PHE H H 6 8.194 8.194 8.141 0.053 18220 5746 1 12 . 1 1 16 16 GLY N N 7 107.938 107.938 106.874 1.064 18220 5747 1 12 . 1 1 16 16 GLY C C 7 171.838 171.838 175.798 -3.960 18220 5748 1 12 . 1 1 16 16 GLY CA C 7 47.100 47.100 47.451 -0.351 18220 5749 1 12 . 1 1 16 16 GLY H H 7 8.697 8.697 8.576 0.121 18220 5750 1 12 . 1 1 17 17 TYR N N 8 121.785 121.785 123.307 -1.522 18220 5751 1 12 . 1 1 17 17 TYR HA H 8 4.150 4.150 4.096 0.054 18220 5752 1 12 . 1 1 17 17 TYR C C 8 174.180 174.180 177.389 -3.209 18220 5753 1 12 . 1 1 17 17 TYR CA C 8 61.300 61.300 60.975 0.325 18220 5754 1 12 . 1 1 17 17 TYR CB C 8 37.959 37.959 38.299 -0.340 18220 5755 1 12 . 1 1 17 17 TYR H H 8 8.710 8.710 8.339 0.371 18220 5756 1 12 . 1 1 18 18 ALA N N 9 120.233 120.233 120.820 -0.587 18220 5757 1 12 . 1 1 18 18 ALA HA H 9 3.950 3.950 3.782 0.168 18220 5758 1 12 . 1 1 18 18 ALA C C 9 178.059 178.059 179.255 -1.196 18220 5759 1 12 . 1 1 18 18 ALA CA C 9 54.872 54.872 54.903 -0.030 18220 5760 1 12 . 1 1 18 18 ALA CB C 9 17.562 17.562 17.572 -0.010 18220 5761 1 12 . 1 1 18 18 ALA H H 9 7.843 7.843 8.129 -0.286 18220 5762 1 12 . 1 1 19 19 ALA N N 10 121.797 121.797 121.573 0.224 18220 5763 1 12 . 1 1 19 19 ALA HA H 10 3.950 3.950 4.279 -0.329 18220 5764 1 12 . 1 1 19 19 ALA C C 10 176.191 176.191 179.618 -3.427 18220 5765 1 12 . 1 1 19 19 ALA CA C 10 54.600 54.600 54.473 0.127 18220 5766 1 12 . 1 1 19 19 ALA CB C 10 17.562 17.562 18.496 -0.934 18220 5767 1 12 . 1 1 19 19 ALA H H 10 8.212 8.212 7.984 0.228 18220 5768 1 12 . 1 1 20 20 LEU N N 11 119.442 119.442 120.490 -1.048 18220 5769 1 12 . 1 1 20 20 LEU HA H 11 3.937 3.937 4.008 -0.071 18220 5770 1 12 . 1 1 20 20 LEU C C 11 176.694 176.694 178.612 -1.918 18220 5771 1 12 . 1 1 20 20 LEU CA C 11 57.800 57.800 57.858 -0.058 18220 5772 1 12 . 1 1 20 20 LEU CB C 11 41.222 41.222 42.196 -0.973 18220 5773 1 12 . 1 1 20 20 LEU H H 11 8.065 8.065 7.868 0.197 18220 5774 1 12 . 1 1 21 21 VAL N N 12 118.323 118.323 118.742 -0.419 18220 5775 1 12 . 1 1 21 21 VAL HA H 12 3.640 3.640 3.509 0.131 18220 5776 1 12 . 1 1 21 21 VAL C C 12 176.536 176.536 177.884 -1.348 18220 5777 1 12 . 1 1 21 21 VAL CA C 12 65.400 65.400 66.732 -1.332 18220 5778 1 12 . 1 1 21 21 VAL CB C 12 31.135 31.135 30.799 0.337 18220 5779 1 12 . 1 1 21 21 VAL H H 12 8.051 8.051 8.072 -0.021 18220 5780 1 12 . 1 1 22 22 THR N N 13 118.298 118.298 115.113 3.185 18220 5781 1 12 . 1 1 22 22 THR HA H 13 4.660 4.660 3.904 0.756 18220 5782 1 12 . 1 1 22 22 THR C C 13 173.734 173.734 176.849 -3.115 18220 5783 1 12 . 1 1 22 22 THR CA C 13 66.300 66.300 66.561 -0.261 18220 5784 1 12 . 1 1 22 22 THR CB C 13 67.775 67.775 68.666 -0.891 18220 5785 1 12 . 1 1 22 22 THR H H 13 7.944 7.944 8.123 -0.179 18220 5786 1 12 . 1 1 23 23 PHE N N 14 121.328 121.328 122.854 -1.526 18220 5787 1 12 . 1 1 23 23 PHE HA H 14 4.340 4.340 4.119 0.221 18220 5788 1 12 . 1 1 23 23 PHE C C 14 174.783 174.783 178.165 -3.382 18220 5789 1 12 . 1 1 23 23 PHE CA C 14 60.500 60.500 61.308 -0.808 18220 5790 1 12 . 1 1 23 23 PHE CB C 14 38.626 38.626 38.669 -0.043 18220 5791 1 12 . 1 1 23 23 PHE H H 14 8.567 8.567 8.430 0.137 18220 5792 1 12 . 1 1 24 24 GLY N N 15 106.871 106.871 106.453 0.418 18220 5793 1 12 . 1 1 24 24 GLY C C 15 172.858 172.858 176.495 -3.637 18220 5794 1 12 . 1 1 24 24 GLY CA C 15 46.900 46.900 47.277 -0.377 18220 5795 1 12 . 1 1 24 24 GLY H H 15 8.475 8.475 8.480 -0.005 18220 5796 1 12 . 1 1 25 25 SER N N 16 116.214 116.214 118.482 -2.268 18220 5797 1 12 . 1 1 25 25 SER HA H 16 4.280 4.280 4.104 0.176 18220 5798 1 12 . 1 1 25 25 SER CA C 16 60.300 60.300 61.923 -1.623 18220 5799 1 12 . 1 1 25 25 SER CB C 16 62.879 62.879 62.873 0.006 18220 5800 1 12 . 1 1 25 25 SER H H 16 7.963 7.963 8.315 -0.352 18220 5801 1 12 . 1 1 26 26 ILE N N 17 121.024 121.024 121.250 -0.226 18220 5802 1 12 . 1 1 26 26 ILE HA H 17 3.946 3.946 3.543 0.403 18220 5803 1 12 . 1 1 26 26 ILE C C 17 173.935 173.935 178.860 -4.925 18220 5804 1 12 . 1 1 26 26 ILE CA C 17 63.100 63.100 65.193 -2.093 18220 5805 1 12 . 1 1 26 26 ILE CB C 17 38.107 38.107 37.905 0.202 18220 5806 1 12 . 1 1 26 26 ILE H H 17 7.676 7.676 8.374 -0.698 18220 5807 1 12 . 1 1 27 27 PHE N N 18 117.142 117.142 120.304 -3.162 18220 5808 1 12 . 1 1 27 27 PHE HA H 18 4.430 4.430 4.238 0.192 18220 5809 1 12 . 1 1 27 27 PHE C C 18 173.504 173.504 177.313 -3.809 18220 5810 1 12 . 1 1 27 27 PHE CA C 18 58.500 58.500 61.068 -2.567 18220 5811 1 12 . 1 1 27 27 PHE CB C 18 38.774 38.774 39.004 -0.230 18220 5812 1 12 . 1 1 27 27 PHE H H 18 7.703 7.703 8.400 -0.697 18220 5813 1 12 . 1 1 28 28 GLY N N 19 107.303 107.303 104.578 2.725 18220 5814 1 12 . 1 1 28 28 GLY C C 19 171.593 171.593 174.023 -2.430 18220 5815 1 12 . 1 1 28 28 GLY CA C 19 45.600 45.600 45.120 0.480 18220 5816 1 12 . 1 1 28 28 GLY H H 19 7.722 7.722 7.696 0.026 18220 5817 1 12 . 1 1 29 29 TYR N N 20 119.862 119.862 118.831 1.031 18220 5818 1 12 . 1 1 29 29 TYR HA H 20 4.392 4.392 4.135 0.257 18220 5819 1 12 . 1 1 29 29 TYR C C 20 173.174 173.174 174.683 -1.509 18220 5820 1 12 . 1 1 29 29 TYR CA C 20 58.500 58.500 58.714 -0.214 18220 5821 1 12 . 1 1 29 29 TYR CB C 20 38.404 38.404 37.613 0.791 18220 5822 1 12 . 1 1 29 29 TYR H H 20 7.880 7.880 7.837 0.043 18220 5823 1 12 . 1 1 30 30 LYS N N 21 122.335 122.335 125.646 -3.311 18220 5824 1 12 . 1 1 30 30 LYS HA H 21 4.390 4.390 4.427 -0.037 18220 5825 1 12 . 1 1 30 30 LYS C C 21 173.547 173.547 175.403 -1.856 18220 5826 1 12 . 1 1 30 30 LYS CA C 21 55.800 55.800 55.721 0.079 18220 5827 1 12 . 1 1 30 30 LYS CB C 21 32.396 32.396 33.557 -1.161 18220 5828 1 12 . 1 1 30 30 LYS H H 21 7.934 7.934 8.134 -0.200 18220 5829 1 12 . 1 1 31 31 ARG N N 22 120.612 120.612 122.523 -1.911 18220 5830 1 12 . 1 1 31 31 ARG C C 22 173.547 173.547 174.859 -1.312 18220 5831 1 12 . 1 1 31 31 ARG CA C 22 55.834 55.834 56.908 -1.074 18220 5832 1 12 . 1 1 31 31 ARG CB C 22 30.101 30.101 30.451 -0.350 18220 5833 1 12 . 1 1 31 31 ARG H H 22 7.905 7.905 8.791 -0.886 18220 5834 1 12 . 1 1 32 32 ARG N N 23 121.748 121.748 120.273 1.475 18220 5835 1 12 . 1 1 32 32 ARG HA H 23 4.310 4.310 4.311 -0.001 18220 5836 1 12 . 1 1 32 32 ARG C C 23 173.863 173.863 175.304 -1.441 18220 5837 1 12 . 1 1 32 32 ARG CA C 23 55.800 55.800 56.354 -0.554 18220 5838 1 12 . 1 1 32 32 ARG CB C 23 30.245 30.245 30.767 -0.522 18220 5839 1 12 . 1 1 32 32 ARG H H 23 8.175 8.175 8.502 -0.327 18220 5840 1 12 . 1 1 33 33 GLY N N 24 109.528 109.528 107.742 1.786 18220 5841 1 12 . 1 1 33 33 GLY C C 24 171.752 171.752 173.547 -1.795 18220 5842 1 12 . 1 1 33 33 GLY CA C 24 44.900 44.900 45.200 -0.299 18220 5843 1 12 . 1 1 33 33 GLY H H 24 8.264 8.264 7.963 0.301 18220 5844 1 12 . 1 1 34 34 GLY N N 25 108.563 108.563 108.051 0.512 18220 5845 1 12 . 1 1 34 34 GLY C C 25 171.701 171.701 173.445 -1.744 18220 5846 1 12 . 1 1 34 34 GLY CA C 25 44.600 44.600 44.487 0.113 18220 5847 1 12 . 1 1 34 34 GLY H H 25 8.208 8.208 7.907 0.301 18220 5848 1 12 . 1 1 35 35 VAL N N 26 121.164 121.164 120.099 1.065 18220 5849 1 12 . 1 1 35 35 VAL HA H 26 4.010 4.010 4.039 -0.029 18220 5850 1 12 . 1 1 35 35 VAL C C 26 175.888 175.888 174.900 0.988 18220 5851 1 12 . 1 1 35 35 VAL CA C 26 63.900 63.900 62.931 0.969 18220 5852 1 12 . 1 1 35 35 VAL CB C 26 30.690 30.690 31.546 -0.856 18220 5853 1 12 . 1 1 35 35 VAL H H 26 8.485 8.485 8.724 -0.239 18220 5854 1 12 . 1 1 36 36 PRO C C 27 177.660 177.660 175.905 1.755 18220 5855 1 12 . 1 1 36 36 PRO CA C 27 61.847 61.847 62.962 -1.115 18220 5856 1 12 . 1 1 37 37 SER N N 28 116.023 116.023 113.060 2.963 18220 5857 1 12 . 1 1 37 37 SER HA H 28 4.280 4.280 4.581 -0.301 18220 5858 1 12 . 1 1 37 37 SER CA C 28 61.100 61.100 58.176 2.924 18220 5859 1 12 . 1 1 37 37 SER H H 28 7.948 7.948 8.297 -0.349 18220 5860 1 12 . 1 1 38 38 LEU N N 29 124.029 124.029 124.308 -0.279 18220 5861 1 12 . 1 1 38 38 LEU HA H 29 4.170 4.170 4.027 0.143 18220 5862 1 12 . 1 1 38 38 LEU C C 29 176.132 176.132 178.121 -1.989 18220 5863 1 12 . 1 1 38 38 LEU CA C 29 57.500 57.500 58.203 -0.703 18220 5864 1 12 . 1 1 38 38 LEU CB C 29 42.038 42.038 41.217 0.821 18220 5865 1 12 . 1 1 38 38 LEU H H 29 8.201 8.201 8.304 -0.103 18220 5866 1 12 . 1 1 39 39 ILE N N 30 117.098 117.098 118.398 -1.300 18220 5867 1 12 . 1 1 39 39 ILE HA H 30 4.370 4.370 3.655 0.715 18220 5868 1 12 . 1 1 39 39 ILE C C 30 176.478 176.478 177.194 -0.716 18220 5869 1 12 . 1 1 39 39 ILE CA C 30 63.079 63.079 64.071 -0.992 18220 5870 1 12 . 1 1 39 39 ILE CB C 30 36.973 36.973 36.923 0.050 18220 5871 1 12 . 1 1 39 39 ILE H H 30 7.662 7.662 8.278 -0.616 18220 5872 1 12 . 1 1 40 40 ALA N N 31 122.447 122.447 121.379 1.068 18220 5873 1 12 . 1 1 40 40 ALA HA H 31 4.034 4.034 4.045 -0.011 18220 5874 1 12 . 1 1 40 40 ALA C C 31 177.067 177.067 179.993 -2.926 18220 5875 1 12 . 1 1 40 40 ALA CA C 31 55.962 55.962 55.294 0.668 18220 5876 1 12 . 1 1 40 40 ALA CB C 31 17.856 17.856 17.976 -0.120 18220 5877 1 12 . 1 1 40 40 ALA H H 31 8.096 8.096 8.009 0.087 18220 5878 1 12 . 1 1 41 41 GLY N N 32 104.056 104.056 106.651 -2.595 18220 5879 1 12 . 1 1 41 41 GLY C C 32 174.251 174.251 176.066 -1.815 18220 5880 1 12 . 1 1 41 41 GLY CA C 32 46.500 46.500 46.732 -0.232 18220 5881 1 12 . 1 1 41 41 GLY H H 32 8.123 8.123 8.142 -0.019 18220 5882 1 12 . 1 1 42 42 LEU N N 33 123.250 123.250 124.172 -0.922 18220 5883 1 12 . 1 1 42 42 LEU HA H 33 3.857 3.857 4.106 -0.249 18220 5884 1 12 . 1 1 42 42 LEU C C 33 176.033 176.033 178.103 -2.070 18220 5885 1 12 . 1 1 42 42 LEU CA C 33 56.668 56.668 58.507 -1.839 18220 5886 1 12 . 1 1 42 42 LEU CB C 33 41.721 41.721 42.111 -0.390 18220 5887 1 12 . 1 1 42 42 LEU H H 33 7.914 7.914 8.064 -0.150 18220 5888 1 12 . 1 1 43 43 PHE N N 34 119.757 119.757 119.102 0.655 18220 5889 1 12 . 1 1 43 43 PHE HA H 34 4.200 4.200 4.008 0.192 18220 5890 1 12 . 1 1 43 43 PHE C C 34 174.374 174.374 177.616 -3.242 18220 5891 1 12 . 1 1 43 43 PHE CA C 34 59.876 59.876 62.271 -2.395 18220 5892 1 12 . 1 1 43 43 PHE CB C 34 38.834 38.834 38.680 0.154 18220 5893 1 12 . 1 1 43 43 PHE H H 34 8.287 8.287 8.748 -0.461 18220 5894 1 12 . 1 1 44 44 VAL N N 35 117.791 117.791 119.490 -1.699 18220 5895 1 12 . 1 1 44 44 VAL HA H 35 3.610 3.610 3.617 -0.007 18220 5896 1 12 . 1 1 44 44 VAL C C 35 176.205 176.205 177.721 -1.516 18220 5897 1 12 . 1 1 44 44 VAL CA C 35 64.559 64.559 66.626 -2.067 18220 5898 1 12 . 1 1 44 44 VAL CB C 35 31.432 31.432 31.439 -0.007 18220 5899 1 12 . 1 1 44 44 VAL H H 35 8.235 8.235 8.380 -0.145 18220 5900 1 12 . 1 1 45 45 GLY N N 36 108.551 108.551 107.079 1.472 18220 5901 1 12 . 1 1 45 45 GLY C C 36 173.749 173.749 176.079 -2.330 18220 5902 1 12 . 1 1 45 45 GLY CA C 36 46.083 46.083 47.479 -1.396 18220 5903 1 12 . 1 1 45 45 GLY H H 36 8.178 8.178 8.092 0.086 18220 5904 1 12 . 1 1 46 46 CYS N N 37 121.173 121.173 120.862 0.311 18220 5905 1 12 . 1 1 46 46 CYS HA H 37 4.180 4.180 3.764 0.416 18220 5906 1 12 . 1 1 46 46 CYS C C 37 173.710 173.710 176.950 -3.240 18220 5907 1 12 . 1 1 46 46 CYS CA C 37 63.000 63.000 63.778 -0.778 18220 5908 1 12 . 1 1 46 46 CYS CB C 37 60.283 60.283 27.297 32.986 18220 5909 1 12 . 1 1 46 46 CYS H H 37 8.253 8.253 8.310 -0.057 18220 5910 1 12 . 1 1 47 47 LEU N N 38 120.283 120.283 120.276 0.007 18220 5911 1 12 . 1 1 47 47 LEU HA H 38 4.060 4.060 3.695 0.365 18220 5912 1 12 . 1 1 47 47 LEU C C 38 176.679 176.679 178.529 -1.850 18220 5913 1 12 . 1 1 47 47 LEU CA C 38 56.027 56.027 58.383 -2.356 18220 5914 1 12 . 1 1 47 47 LEU CB C 38 41.464 41.464 41.753 -0.289 18220 5915 1 12 . 1 1 47 47 LEU H H 38 7.965 7.965 7.852 0.113 18220 5916 1 12 . 1 1 48 48 ALA N N 39 122.249 122.249 120.457 1.792 18220 5917 1 12 . 1 1 48 48 ALA HA H 39 4.142 4.142 3.917 0.225 18220 5918 1 12 . 1 1 48 48 ALA C C 39 177.915 177.915 179.765 -1.850 18220 5919 1 12 . 1 1 48 48 ALA CA C 39 53.717 53.717 55.382 -1.665 18220 5920 1 12 . 1 1 48 48 ALA CB C 39 17.985 17.985 18.130 -0.144 18220 5921 1 12 . 1 1 48 48 ALA H H 39 8.066 8.066 8.142 -0.076 18220 5922 1 12 . 1 1 49 49 GLY N N 40 107.377 107.377 107.032 0.345 18220 5923 1 12 . 1 1 49 49 GLY C C 40 172.527 172.527 176.146 -3.619 18220 5924 1 12 . 1 1 49 49 GLY CA C 40 45.450 45.450 47.129 -1.679 18220 5925 1 12 . 1 1 49 49 GLY H H 40 8.172 8.172 8.228 -0.056 18220 5926 1 12 . 1 1 50 50 TYR N N 41 122.409 122.409 122.560 -0.151 18220 5927 1 12 . 1 1 50 50 TYR HA H 41 3.799 3.799 4.054 -0.255 18220 5928 1 12 . 1 1 50 50 TYR C C 41 174.208 174.208 178.545 -4.337 18220 5929 1 12 . 1 1 50 50 TYR CA C 41 59.245 59.245 60.272 -1.027 18220 5930 1 12 . 1 1 50 50 TYR CB C 41 37.936 37.936 37.725 0.211 18220 5931 1 12 . 1 1 50 50 TYR H H 41 7.800 7.800 8.479 -0.679 18220 5932 1 12 . 1 1 51 51 GLY N N 42 106.935 106.935 106.018 0.917 18220 5933 1 12 . 1 1 51 51 GLY C C 42 172.642 172.642 175.817 -3.175 18220 5934 1 12 . 1 1 51 51 GLY CA C 42 46.265 46.265 46.854 -0.589 18220 5935 1 12 . 1 1 51 51 GLY H H 42 8.199 8.199 8.141 0.058 18220 5936 1 12 . 1 1 52 52 ALA N N 43 123.018 123.018 123.952 -0.934 18220 5937 1 12 . 1 1 52 52 ALA HA H 43 4.150 4.150 4.053 0.097 18220 5938 1 12 . 1 1 52 52 ALA C C 43 176.398 176.398 179.222 -2.824 18220 5939 1 12 . 1 1 52 52 ALA CA C 43 52.883 52.883 54.385 -1.502 18220 5940 1 12 . 1 1 52 52 ALA CB C 43 18.241 18.241 18.368 -0.127 18220 5941 1 12 . 1 1 52 52 ALA H H 43 7.758 7.758 8.121 -0.363 18220 5942 1 12 . 1 1 53 53 TYR N N 44 119.664 119.664 118.286 1.378 18220 5943 1 12 . 1 1 53 53 TYR HA H 44 4.318 4.318 4.306 0.012 18220 5944 1 12 . 1 1 53 53 TYR C C 44 174.180 174.180 177.448 -3.268 18220 5945 1 12 . 1 1 53 53 TYR CA C 44 58.593 58.593 60.809 -2.216 18220 5946 1 12 . 1 1 53 53 TYR CB C 44 38.192 38.192 38.759 -0.567 18220 5947 1 12 . 1 1 53 53 TYR H H 44 7.920 7.920 7.889 0.031 18220 5948 1 12 . 1 1 54 54 ARG N N 45 119.516 119.516 119.096 0.420 18220 5949 1 12 . 1 1 54 54 ARG HA H 45 3.930 3.930 4.315 -0.385 18220 5950 1 12 . 1 1 54 54 ARG C C 45 174.423 174.423 177.801 -3.378 18220 5951 1 12 . 1 1 54 54 ARG CA C 45 56.027 56.027 57.943 -1.916 18220 5952 1 12 . 1 1 54 54 ARG CB C 45 30.173 30.173 31.659 -1.486 18220 5953 1 12 . 1 1 54 54 ARG H H 45 7.956 7.956 8.095 -0.139 18220 5954 1 12 . 1 1 55 55 VAL N N 46 116.437 116.437 120.247 -3.810 18220 5955 1 12 . 1 1 55 55 VAL HA H 46 4.060 4.060 4.170 -0.110 18220 5956 1 12 . 1 1 55 55 VAL C C 46 173.806 173.806 175.273 -1.467 18220 5957 1 12 . 1 1 55 55 VAL CA C 46 62.300 62.300 61.121 1.179 18220 5958 1 12 . 1 1 55 55 VAL CB C 46 31.521 31.521 29.317 2.204 18220 5959 1 12 . 1 1 55 55 VAL H H 46 7.489 7.489 8.272 -0.783 18220 5960 1 12 . 1 1 56 56 SER N N 47 117.185 117.185 119.082 -1.897 18220 5961 1 12 . 1 1 56 56 SER HA H 47 4.401 4.401 4.344 0.057 18220 5962 1 12 . 1 1 56 56 SER C C 47 172.074 172.074 174.478 -2.404 18220 5963 1 12 . 1 1 56 56 SER CA C 47 58.133 58.133 60.081 -1.948 18220 5964 1 12 . 1 1 56 56 SER CB C 47 63.468 63.468 63.743 -0.275 18220 5965 1 12 . 1 1 56 56 SER H H 47 7.728 7.728 7.779 -0.051 18220 5966 1 12 . 1 1 57 57 ASN N N 48 121.049 121.049 122.574 -1.525 18220 5967 1 12 . 1 1 57 57 ASN HA H 48 4.590 4.590 4.828 -0.238 18220 5968 1 12 . 1 1 57 57 ASN CA C 48 53.600 53.600 53.841 -0.241 18220 5969 1 12 . 1 1 57 57 ASN CB C 48 38.641 38.641 39.792 -1.151 18220 5970 1 12 . 1 1 57 57 ASN H H 48 8.228 8.228 8.767 -0.539 18220 5971 1 12 . 1 1 58 58 ASP N N 49 120.276 120.276 119.984 0.292 18220 5972 1 12 . 1 1 58 58 ASP HA H 49 4.530 4.530 4.627 -0.097 18220 5973 1 12 . 1 1 58 58 ASP CA C 49 54.202 54.202 54.721 -0.519 18220 5974 1 12 . 1 1 58 58 ASP CB C 49 40.374 40.374 41.273 -0.899 18220 5975 1 12 . 1 1 58 58 ASP H H 49 8.192 8.192 8.069 0.123 18220 5976 1 12 . 1 1 59 59 LYS N N 50 120.660 120.660 123.600 -2.940 18220 5977 1 12 . 1 1 59 59 LYS HA H 50 4.200 4.200 4.531 -0.331 18220 5978 1 12 . 1 1 59 59 LYS C C 50 173.474 173.474 175.646 -2.172 18220 5979 1 12 . 1 1 59 59 LYS CA C 50 56.300 56.300 55.945 0.355 18220 5980 1 12 . 1 1 59 59 LYS CB C 50 32.034 32.034 33.477 -1.444 18220 5981 1 12 . 1 1 59 59 LYS H H 50 8.003 8.003 8.391 -0.388 18220 5982 1 12 . 1 1 60 60 ARG N N 51 121.278 121.278 123.715 -2.437 18220 5983 1 12 . 1 1 60 60 ARG HA H 51 4.200 4.200 4.395 -0.195 18220 5984 1 12 . 1 1 60 60 ARG C C 51 173.303 173.303 175.955 -2.652 18220 5985 1 12 . 1 1 60 60 ARG CA C 51 56.283 56.283 57.617 -1.334 18220 5986 1 12 . 1 1 60 60 ARG CB C 51 30.238 30.238 30.856 -0.618 18220 5987 1 12 . 1 1 60 60 ARG H H 51 8.091 8.091 8.805 -0.714 18220 5988 1 12 . 1 1 61 61 ASP N N 52 121.185 121.185 116.631 4.554 18220 5989 1 12 . 1 1 61 61 ASP HA H 52 4.615 4.615 4.713 -0.098 18220 5990 1 12 . 1 1 61 61 ASP C C 52 173.777 173.777 175.444 -1.667 18220 5991 1 12 . 1 1 61 61 ASP CA C 52 53.979 53.979 54.326 -0.347 18220 5992 1 12 . 1 1 61 61 ASP CB C 52 40.245 40.245 43.302 -3.057 18220 5993 1 12 . 1 1 61 61 ASP H H 52 8.261 8.261 8.113 0.148 18220 5994 1 12 . 1 1 62 62 VAL N N 53 121.902 121.902 117.954 3.948 18220 5995 1 12 . 1 1 62 62 VAL HA H 53 3.950 3.950 4.377 -0.427 18220 5996 1 12 . 1 1 62 62 VAL C C 53 173.279 173.279 174.741 -1.462 18220 5997 1 12 . 1 1 62 62 VAL CA C 53 63.176 63.176 62.819 0.357 18220 5998 1 12 . 1 1 62 62 VAL CB C 53 32.099 32.099 32.168 -0.069 18220 5999 1 12 . 1 1 62 62 VAL H H 53 7.997 7.997 7.689 0.308 18220 6000 1 12 . 1 1 63 63 LYS N N 54 123.522 123.522 121.432 2.090 18220 6001 1 12 . 1 1 63 63 LYS HA H 54 4.260 4.260 4.269 -0.009 18220 6002 1 12 . 1 1 63 63 LYS C C 54 174.481 174.481 177.775 -3.294 18220 6003 1 12 . 1 1 63 63 LYS CA C 54 56.347 56.347 59.120 -2.773 18220 6004 1 12 . 1 1 63 63 LYS CB C 54 32.099 32.099 31.933 0.166 18220 6005 1 12 . 1 1 63 63 LYS H H 54 8.054 8.054 8.061 -0.007 18220 6006 1 12 . 1 1 64 64 VAL N N 55 120.647 120.647 119.249 1.398 18220 6007 1 12 . 1 1 64 64 VAL HA H 55 3.947 3.947 3.619 0.328 18220 6008 1 12 . 1 1 64 64 VAL C C 55 174.955 174.955 178.140 -3.185 18220 6009 1 12 . 1 1 64 64 VAL CA C 55 64.600 64.600 64.990 -0.390 18220 6010 1 12 . 1 1 64 64 VAL CB C 55 31.877 31.877 30.873 1.004 18220 6011 1 12 . 1 1 64 64 VAL H H 55 8.225 8.225 7.823 0.402 18220 6012 1 12 . 1 1 65 65 SER N N 56 117.785 117.785 115.302 2.483 18220 6013 1 12 . 1 1 65 65 SER HA H 56 4.390 4.390 4.136 0.254 18220 6014 1 12 . 1 1 65 65 SER C C 56 172.300 172.300 176.544 -4.244 18220 6015 1 12 . 1 1 65 65 SER CA C 56 60.000 60.000 62.714 -2.714 18220 6016 1 12 . 1 1 65 65 SER CB C 56 62.879 62.879 62.771 0.108 18220 6017 1 12 . 1 1 65 65 SER H H 56 8.260 8.260 8.285 -0.025 18220 6018 1 12 . 1 1 66 66 LEU N N 57 123.318 123.318 122.225 1.093 18220 6019 1 12 . 1 1 66 66 LEU HA H 57 4.090 4.090 4.109 -0.019 18220 6020 1 12 . 1 1 66 66 LEU C C 57 175.932 175.932 178.694 -2.762 18220 6021 1 12 . 1 1 66 66 LEU CA C 57 57.502 57.502 58.397 -0.895 18220 6022 1 12 . 1 1 66 66 LEU CB C 57 41.721 41.721 42.111 -0.390 18220 6023 1 12 . 1 1 66 66 LEU H H 57 8.091 8.091 7.853 0.238 18220 6024 1 12 . 1 1 67 67 PHE N N 58 118.020 118.020 117.892 0.128 18220 6025 1 12 . 1 1 67 67 PHE HA H 58 4.330 4.330 4.335 -0.004 18220 6026 1 12 . 1 1 67 67 PHE C C 58 174.912 174.912 178.272 -3.360 18220 6027 1 12 . 1 1 67 67 PHE CA C 58 60.600 60.600 62.072 -1.472 18220 6028 1 12 . 1 1 67 67 PHE CB C 58 38.552 38.552 38.597 -0.045 18220 6029 1 12 . 1 1 67 67 PHE H H 58 8.066 8.066 8.571 -0.505 18220 6030 1 12 . 1 1 68 68 THR N N 59 115.324 115.324 117.806 -2.482 18220 6031 1 12 . 1 1 68 68 THR HA H 59 4.310 4.310 4.144 0.166 18220 6032 1 12 . 1 1 68 68 THR C C 59 173.380 173.380 176.186 -2.806 18220 6033 1 12 . 1 1 68 68 THR CA C 59 66.313 66.313 67.853 -1.540 18220 6034 1 12 . 1 1 68 68 THR CB C 59 67.700 67.700 68.854 -1.154 18220 6035 1 12 . 1 1 68 68 THR H H 59 8.287 8.287 8.415 -0.128 18220 6036 1 12 . 1 1 69 69 ALA N N 60 123.621 123.621 124.910 -1.289 18220 6037 1 12 . 1 1 69 69 ALA HA H 60 4.280 4.280 4.074 0.206 18220 6038 1 12 . 1 1 69 69 ALA C C 60 176.978 176.978 178.930 -1.952 18220 6039 1 12 . 1 1 69 69 ALA CA C 60 55.100 55.100 55.460 -0.360 18220 6040 1 12 . 1 1 69 69 ALA CB C 60 17.728 17.728 18.313 -0.585 18220 6041 1 12 . 1 1 69 69 ALA H H 60 7.983 7.983 8.751 -0.768 18220 6042 1 12 . 1 1 70 70 PHE N N 61 118.520 118.520 118.709 -0.189 18220 6043 1 12 . 1 1 70 70 PHE HA H 61 4.260 4.260 4.108 0.152 18220 6044 1 12 . 1 1 70 70 PHE C C 61 175.369 175.369 177.689 -2.320 18220 6045 1 12 . 1 1 70 70 PHE CA C 61 60.179 60.179 62.696 -2.517 18220 6046 1 12 . 1 1 70 70 PHE CB C 61 38.706 38.706 39.006 -0.300 18220 6047 1 12 . 1 1 70 70 PHE H H 61 8.007 8.007 8.406 -0.399 18220 6048 1 12 . 1 1 71 71 PHE N N 62 122.314 122.314 119.837 2.477 18220 6049 1 12 . 1 1 71 71 PHE HA H 62 4.000 4.000 4.177 -0.177 18220 6050 1 12 . 1 1 71 71 PHE C C 62 174.697 174.697 177.348 -2.651 18220 6051 1 12 . 1 1 71 71 PHE CA C 62 60.517 60.517 61.284 -0.767 18220 6052 1 12 . 1 1 71 71 PHE CB C 62 38.770 38.770 39.065 -0.295 18220 6053 1 12 . 1 1 71 71 PHE H H 62 8.546 8.546 8.278 0.268 18220 6054 1 12 . 1 1 72 72 LEU N N 63 119.399 119.399 120.986 -1.587 18220 6055 1 12 . 1 1 72 72 LEU HA H 63 3.870 3.870 3.613 0.257 18220 6056 1 12 . 1 1 72 72 LEU C C 63 175.774 175.774 178.522 -2.748 18220 6057 1 12 . 1 1 72 72 LEU CA C 63 56.925 56.925 58.863 -1.938 18220 6058 1 12 . 1 1 72 72 LEU CB C 63 41.207 41.207 41.891 -0.684 18220 6059 1 12 . 1 1 72 72 LEU H H 63 8.396 8.396 8.630 -0.234 18220 6060 1 12 . 1 1 73 73 ALA N N 64 120.221 120.221 119.780 0.441 18220 6061 1 12 . 1 1 73 73 ALA HA H 64 3.960 3.960 3.476 0.484 18220 6062 1 12 . 1 1 73 73 ALA C C 64 177.267 177.267 179.432 -2.165 18220 6063 1 12 . 1 1 73 73 ALA CA C 64 54.600 54.600 55.358 -0.758 18220 6064 1 12 . 1 1 73 73 ALA CB C 64 17.784 17.784 17.989 -0.205 18220 6065 1 12 . 1 1 73 73 ALA H H 64 8.025 8.025 8.352 -0.327 18220 6066 1 12 . 1 1 74 74 THR N N 65 113.648 113.648 114.175 -0.527 18220 6067 1 12 . 1 1 74 74 THR HA H 65 3.980 3.980 3.906 0.074 18220 6068 1 12 . 1 1 74 74 THR CA C 65 66.291 66.291 65.929 0.362 18220 6069 1 12 . 1 1 74 74 THR CB C 65 67.914 67.914 68.519 -0.605 18220 6070 1 12 . 1 1 74 74 THR H H 65 7.717 7.717 7.978 -0.261 18220 6071 1 12 . 1 1 75 75 ILE N N 66 120.291 120.291 119.489 0.802 18220 6072 1 12 . 1 1 75 75 ILE HA H 66 3.740 3.740 3.688 0.052 18220 6073 1 12 . 1 1 75 75 ILE C C 66 174.951 174.951 176.663 -1.712 18220 6074 1 12 . 1 1 75 75 ILE CA C 66 64.880 64.880 61.675 3.204 18220 6075 1 12 . 1 1 75 75 ILE CB C 66 37.166 37.166 37.081 0.084 18220 6076 1 12 . 1 1 75 75 ILE H H 66 7.738 7.738 7.796 -0.058 18220 6077 1 12 . 1 1 76 76 MET N N 67 117.618 117.618 116.468 1.150 18220 6078 1 12 . 1 1 76 76 MET HA H 67 4.220 4.220 3.939 0.281 18220 6079 1 12 . 1 1 76 76 MET C C 67 175.142 175.142 177.287 -2.145 18220 6080 1 12 . 1 1 76 76 MET CA C 67 56.723 56.723 57.194 -0.471 18220 6081 1 12 . 1 1 76 76 MET CB C 67 31.951 31.951 32.707 -0.756 18220 6082 1 12 . 1 1 76 76 MET H H 67 7.823 7.823 7.654 0.169 18220 6083 1 12 . 1 1 77 77 GLY N N 68 107.110 107.110 106.519 0.591 18220 6084 1 12 . 1 1 77 77 GLY C C 68 172.260 172.260 173.385 -1.125 18220 6085 1 12 . 1 1 77 77 GLY CA C 68 45.800 45.800 45.177 0.623 18220 6086 1 12 . 1 1 77 77 GLY H H 68 7.937 7.937 8.193 -0.256 18220 6087 1 12 . 1 1 78 78 VAL N N 69 120.431 120.431 116.930 3.501 18220 6088 1 12 . 1 1 78 78 VAL HA H 69 4.220 4.220 4.647 -0.427 18220 6089 1 12 . 1 1 78 78 VAL CA C 69 63.900 63.900 60.804 3.096 18220 6090 1 12 . 1 1 78 78 VAL CB C 69 31.506 31.506 32.097 -0.591 18220 6091 1 12 . 1 1 78 78 VAL H H 69 7.697 7.697 8.239 -0.542 18220 6092 1 12 . 1 1 79 79 ARG N N 70 121.420 121.420 121.092 0.328 18220 6093 1 12 . 1 1 79 79 ARG HA H 70 3.810 3.810 4.496 -0.686 18220 6094 1 12 . 1 1 79 79 ARG CA C 70 56.400 56.400 55.991 0.409 18220 6095 1 12 . 1 1 79 79 ARG CB C 70 30.097 30.097 30.107 -0.010 18220 6096 1 12 . 1 1 79 79 ARG H H 70 7.889 7.889 8.314 -0.425 18220 6097 1 12 . 1 1 80 80 PHE N N 71 119.949 119.949 116.899 3.050 18220 6098 1 12 . 1 1 80 80 PHE HA H 71 4.510 4.510 4.643 -0.133 18220 6099 1 12 . 1 1 80 80 PHE CA C 71 58.600 58.600 56.527 2.073 18220 6100 1 12 . 1 1 80 80 PHE CB C 71 39.145 39.145 39.057 0.088 18220 6101 1 12 . 1 1 80 80 PHE H H 71 8.101 8.101 8.066 0.035 18220 6102 1 12 . 1 1 81 81 LYS N N 72 122.193 122.193 121.163 1.030 18220 6103 1 12 . 1 1 81 81 LYS CA C 72 56.800 56.800 55.401 1.399 18220 6104 1 12 . 1 1 81 81 LYS CB C 72 32.322 32.322 32.751 -0.429 18220 6105 1 12 . 1 1 81 81 LYS H H 72 8.090 8.090 7.464 0.626 18220 6106 1 12 . 1 1 82 82 ARG N N 73 119.650 119.650 118.565 1.085 18220 6107 1 12 . 1 1 82 82 ARG CA C 73 56.089 56.089 56.758 -0.669 18220 6108 1 12 . 1 1 82 82 ARG CB C 73 30.171 30.171 30.920 -0.749 18220 6109 1 12 . 1 1 82 82 ARG H H 73 8.052 8.052 8.320 -0.268 18220 6110 1 12 . 1 1 83 83 SER N N 74 115.734 115.734 114.513 1.221 18220 6111 1 12 . 1 1 83 83 SER CA C 74 58.355 58.355 58.157 0.198 18220 6112 1 12 . 1 1 83 83 SER CB C 74 63.404 63.404 64.019 -0.615 18220 6113 1 12 . 1 1 83 83 SER H H 74 7.912 7.912 7.679 0.233 18220 6114 1 12 . 1 1 84 84 LYS N N 75 122.370 122.370 121.073 1.297 18220 6115 1 12 . 1 1 84 84 LYS CA C 75 56.135 56.135 56.039 0.096 18220 6116 1 12 . 1 1 84 84 LYS CB C 75 32.175 32.175 33.534 -1.359 18220 6117 1 12 . 1 1 84 84 LYS H H 75 8.067 8.067 8.245 -0.178 18220 6118 1 12 . 1 1 86 86 ILE N N 77 119.592 119.592 119.425 0.167 18220 6119 1 12 . 1 1 86 86 ILE HA H 77 3.810 3.810 4.078 -0.268 18220 6120 1 12 . 1 1 86 86 ILE CA C 77 64.900 64.900 62.533 2.366 18220 6121 1 12 . 1 1 86 86 ILE CB C 77 39.145 39.145 38.670 0.475 18220 6122 1 12 . 1 1 86 86 ILE H H 77 7.837 7.837 7.931 -0.094 18220 6123 1 12 . 1 1 87 87 MET N N 78 121.645 121.645 117.798 3.847 18220 6124 1 12 . 1 1 87 87 MET CA C 78 52.982 52.982 52.314 0.668 18220 6125 1 12 . 1 1 87 87 MET CB C 78 32.173 32.173 35.154 -2.981 18220 6126 1 12 . 1 1 87 87 MET H H 78 7.950 7.950 7.562 0.388 18220 6127 1 12 . 1 1 88 88 PRO HA H 79 4.140 4.140 4.564 -0.424 18220 6128 1 12 . 1 1 88 88 PRO C C 79 173.921 173.921 177.106 -3.185 18220 6129 1 12 . 1 1 88 88 PRO CA C 79 62.800 62.800 62.080 0.720 18220 6130 1 12 . 1 1 88 88 PRO CB C 79 31.136 31.136 32.703 -1.567 18220 6131 1 12 . 1 1 89 89 ALA N N 80 124.431 124.431 127.085 -2.654 18220 6132 1 12 . 1 1 89 89 ALA HA H 80 4.400 4.400 3.989 0.411 18220 6133 1 12 . 1 1 89 89 ALA C C 80 176.234 176.234 179.306 -3.072 18220 6134 1 12 . 1 1 89 89 ALA CA C 80 53.300 53.300 54.864 -1.565 18220 6135 1 12 . 1 1 89 89 ALA CB C 80 18.498 18.498 18.680 -0.182 18220 6136 1 12 . 1 1 89 89 ALA H H 80 8.320 8.320 8.469 -0.149 18220 6137 1 12 . 1 1 90 90 GLY N N 81 106.834 106.834 107.715 -0.881 18220 6138 1 12 . 1 1 90 90 GLY C C 81 172.398 172.398 176.080 -3.682 18220 6139 1 12 . 1 1 90 90 GLY CA C 81 45.600 45.600 47.312 -1.712 18220 6140 1 12 . 1 1 90 90 GLY H H 81 8.458 8.458 8.365 0.093 18220 6141 1 12 . 1 1 91 91 LEU N N 82 121.043 121.043 121.096 -0.053 18220 6142 1 12 . 1 1 91 91 LEU HA H 82 4.200 4.200 3.987 0.213 18220 6143 1 12 . 1 1 91 91 LEU C C 82 174.783 174.783 178.393 -3.610 18220 6144 1 12 . 1 1 91 91 LEU CA C 82 56.300 56.300 57.455 -1.155 18220 6145 1 12 . 1 1 91 91 LEU CB C 82 42.106 42.106 42.132 -0.026 18220 6146 1 12 . 1 1 91 91 LEU H H 82 7.687 7.687 7.650 0.037 18220 6147 1 12 . 1 1 92 92 VAL N N 83 114.737 114.737 118.471 -3.734 18220 6148 1 12 . 1 1 92 92 VAL HA H 83 3.980 3.980 3.500 0.480 18220 6149 1 12 . 1 1 92 92 VAL C C 83 173.634 173.634 177.730 -4.096 18220 6150 1 12 . 1 1 92 92 VAL CA C 83 62.400 62.400 66.727 -4.327 18220 6151 1 12 . 1 1 92 92 VAL CB C 83 31.585 31.585 31.389 0.196 18220 6152 1 12 . 1 1 92 92 VAL H H 83 7.602 7.602 7.727 -0.125 18220 6153 1 12 . 1 1 93 93 ALA N N 84 124.320 124.320 121.501 2.819 18220 6154 1 12 . 1 1 93 93 ALA HA H 84 4.150 4.150 4.135 0.015 18220 6155 1 12 . 1 1 93 93 ALA C C 84 175.746 175.746 179.715 -3.969 18220 6156 1 12 . 1 1 93 93 ALA CA C 84 53.300 53.300 55.196 -1.896 18220 6157 1 12 . 1 1 93 93 ALA CB C 84 18.241 18.241 17.916 0.325 18220 6158 1 12 . 1 1 93 93 ALA H H 84 7.891 7.891 8.126 -0.235 18220 6159 1 12 . 1 1 94 94 GLY N N 85 106.807 106.807 108.399 -1.592 18220 6160 1 12 . 1 1 94 94 GLY C C 85 171.752 171.752 175.631 -3.879 18220 6161 1 12 . 1 1 94 94 GLY CA C 85 45.249 45.249 46.671 -1.422 18220 6162 1 12 . 1 1 94 94 GLY H H 85 8.204 8.204 8.037 0.167 18220 6163 1 12 . 1 1 95 95 LEU N N 86 121.266 121.266 122.540 -1.274 18220 6164 1 12 . 1 1 95 95 LEU HA H 86 4.380 4.380 4.057 0.323 18220 6165 1 12 . 1 1 95 95 LEU C C 86 173.702 173.702 178.812 -5.110 18220 6166 1 12 . 1 1 95 95 LEU CA C 86 55.000 55.000 57.621 -2.621 18220 6167 1 12 . 1 1 95 95 LEU CB C 86 42.298 42.298 41.961 0.337 18220 6168 1 12 . 1 1 95 95 LEU H H 86 7.718 7.718 8.393 -0.675 18220 6169 1 12 . 1 1 96 96 SER N N 87 115.658 115.658 115.141 0.517 18220 6170 1 12 . 1 1 96 96 SER HA H 87 4.370 4.370 4.096 0.274 18220 6171 1 12 . 1 1 96 96 SER C C 87 172.479 172.479 176.491 -4.012 18220 6172 1 12 . 1 1 96 96 SER CA C 87 57.200 57.200 62.056 -4.856 18220 6173 1 12 . 1 1 96 96 SER CB C 87 64.174 64.174 63.043 1.131 18220 6174 1 12 . 1 1 96 96 SER H H 87 7.659 7.659 7.977 -0.318 18220 6175 1 12 . 1 1 97 97 LEU N N 88 123.720 123.720 122.375 1.345 18220 6176 1 12 . 1 1 97 97 LEU HA H 88 4.600 4.600 3.910 0.690 18220 6177 1 12 . 1 1 97 97 LEU C C 88 175.932 175.932 178.630 -2.698 18220 6178 1 12 . 1 1 97 97 LEU CA C 88 57.600 57.600 58.280 -0.680 18220 6179 1 12 . 1 1 97 97 LEU CB C 88 41.400 41.400 41.911 -0.511 18220 6180 1 12 . 1 1 97 97 LEU H H 88 8.733 8.733 8.001 0.732 18220 6181 1 12 . 1 1 98 98 MET N N 89 116.684 116.684 117.671 -0.987 18220 6182 1 12 . 1 1 98 98 MET HA H 89 4.280 4.280 3.979 0.301 18220 6183 1 12 . 1 1 98 98 MET C C 89 175.789 175.789 178.558 -2.769 18220 6184 1 12 . 1 1 98 98 MET CA C 89 56.915 56.915 59.694 -2.779 18220 6185 1 12 . 1 1 98 98 MET CB C 89 31.007 31.007 32.621 -1.614 18220 6186 1 12 . 1 1 98 98 MET H H 89 8.342 8.342 8.067 0.275 18220 6187 1 12 . 1 1 99 99 MET N N 90 119.182 119.182 120.049 -0.867 18220 6188 1 12 . 1 1 99 99 MET HA H 90 4.110 4.110 4.054 0.056 18220 6189 1 12 . 1 1 99 99 MET C C 90 175.588 175.588 178.443 -2.855 18220 6190 1 12 . 1 1 99 99 MET CA C 90 57.951 57.951 59.167 -1.216 18220 6191 1 12 . 1 1 99 99 MET CB C 90 32.226 32.226 32.385 -0.159 18220 6192 1 12 . 1 1 99 99 MET H H 90 7.720 7.720 7.998 -0.278 18220 6193 1 12 . 1 1 100 100 ILE N N 91 119.077 119.077 120.147 -1.070 18220 6194 1 12 . 1 1 100 100 ILE HA H 91 4.110 4.110 3.591 0.519 18220 6195 1 12 . 1 1 100 100 ILE C C 91 174.634 174.634 178.188 -3.554 18220 6196 1 12 . 1 1 100 100 ILE CA C 91 64.100 64.100 65.434 -1.334 18220 6197 1 12 . 1 1 100 100 ILE CB C 91 37.143 37.143 37.594 -0.451 18220 6198 1 12 . 1 1 100 100 ILE H H 91 7.662 7.662 8.330 -0.668 18220 6199 1 12 . 1 1 101 101 LEU N N 92 119.646 119.646 118.429 1.217 18220 6200 1 12 . 1 1 101 101 LEU HA H 92 4.530 4.530 3.977 0.553 18220 6201 1 12 . 1 1 101 101 LEU C C 92 175.430 175.430 179.518 -4.088 18220 6202 1 12 . 1 1 101 101 LEU CA C 92 57.800 57.800 57.866 -0.066 18220 6203 1 12 . 1 1 101 101 LEU CB C 92 40.758 40.758 40.541 0.217 18220 6204 1 12 . 1 1 101 101 LEU H H 92 8.142 8.142 8.002 0.140 18220 6205 1 12 . 1 1 102 102 ARG N N 93 116.394 116.394 119.653 -3.259 18220 6206 1 12 . 1 1 102 102 ARG HA H 93 4.140 4.140 4.085 0.055 18220 6207 1 12 . 1 1 102 102 ARG C C 93 175.961 175.961 178.708 -2.747 18220 6208 1 12 . 1 1 102 102 ARG CA C 93 59.100 59.100 58.841 0.259 18220 6209 1 12 . 1 1 102 102 ARG CB C 93 29.404 29.404 29.860 -0.456 18220 6210 1 12 . 1 1 102 102 ARG H H 93 7.893 7.893 7.923 -0.030 18220 6211 1 12 . 1 1 103 103 LEU N N 94 119.114 119.114 120.781 -1.667 18220 6212 1 12 . 1 1 103 103 LEU HA H 94 4.110 4.110 3.988 0.122 18220 6213 1 12 . 1 1 103 103 LEU C C 94 175.889 175.889 179.569 -3.680 18220 6214 1 12 . 1 1 103 103 LEU CA C 94 57.300 57.300 58.339 -1.039 18220 6215 1 12 . 1 1 103 103 LEU CB C 94 41.296 41.296 41.913 -0.617 18220 6216 1 12 . 1 1 103 103 LEU H H 94 7.622 7.622 8.077 -0.455 18220 6217 1 12 . 1 1 104 104 VAL N N 95 117.704 117.704 118.516 -0.812 18220 6218 1 12 . 1 1 104 104 VAL HA H 95 3.530 3.530 3.575 -0.045 18220 6219 1 12 . 1 1 104 104 VAL C C 95 175.042 175.042 177.860 -2.818 18220 6220 1 12 . 1 1 104 104 VAL CA C 95 66.419 66.419 66.424 -0.005 18220 6221 1 12 . 1 1 104 104 VAL CB C 95 31.357 31.357 31.856 -0.499 18220 6222 1 12 . 1 1 104 104 VAL H H 95 8.026 8.026 7.480 0.546 18220 6223 1 12 . 1 1 105 105 LEU N N 96 117.185 117.185 120.095 -2.910 18220 6224 1 12 . 1 1 105 105 LEU HA H 96 3.980 3.980 3.909 0.071 18220 6225 1 12 . 1 1 105 105 LEU C C 96 176.579 176.579 178.594 -2.015 18220 6226 1 12 . 1 1 105 105 LEU CA C 96 56.800 56.800 57.815 -1.015 18220 6227 1 12 . 1 1 105 105 LEU CB C 96 40.951 40.951 41.874 -0.923 18220 6228 1 12 . 1 1 105 105 LEU H H 96 7.893 7.893 7.714 0.179 18220 6229 1 12 . 1 1 106 106 LEU N N 97 118.471 118.471 119.343 -0.872 18220 6230 1 12 . 1 1 106 106 LEU HA H 97 4.180 4.180 4.035 0.145 18220 6231 1 12 . 1 1 106 106 LEU C C 97 175.802 175.802 178.695 -2.893 18220 6232 1 12 . 1 1 106 106 LEU CA C 97 56.300 56.300 57.243 -0.943 18220 6233 1 12 . 1 1 106 106 LEU CB C 97 41.592 41.592 41.212 0.380 18220 6234 1 12 . 1 1 106 106 LEU H H 97 7.545 7.545 7.771 -0.226 18220 6235 1 12 . 1 1 107 107 LEU N N 98 118.162 118.162 118.103 0.059 18220 6236 1 12 . 1 1 107 107 LEU HA H 98 4.230 4.230 4.019 0.211 18220 6237 1 12 . 1 1 107 107 LEU C C 98 174.174 174.174 178.211 -4.037 18220 6238 1 12 . 1 1 107 107 LEU CA C 98 56.283 56.283 56.890 -0.607 18220 6239 1 12 . 1 1 107 107 LEU CB C 98 42.362 42.362 42.370 -0.008 18220 6240 1 12 . 1 1 107 107 LEU H H 98 7.688 7.688 7.860 -0.172 18220 6241 1 13 . 1 1 11 11 ASP N N 2 120.536 120.536 125.622 -5.086 18220 6242 1 13 . 1 1 11 11 ASP CA C 2 55.918 55.918 54.030 1.888 18220 6243 1 13 . 1 1 11 11 ASP CB C 2 37.959 37.959 41.696 -3.737 18220 6244 1 13 . 1 1 11 11 ASP H H 2 7.863 7.863 8.633 -0.770 18220 6245 1 13 . 1 1 12 12 LEU N N 3 121.414 121.414 124.572 -3.158 18220 6246 1 13 . 1 1 12 12 LEU C C 3 176.162 176.162 176.368 -0.206 18220 6247 1 13 . 1 1 12 12 LEU CA C 3 57.600 57.600 55.017 2.583 18220 6248 1 13 . 1 1 12 12 LEU CB C 3 41.657 41.657 43.589 -1.932 18220 6249 1 13 . 1 1 12 12 LEU H H 3 8.285 8.285 8.571 -0.286 18220 6250 1 13 . 1 1 13 13 ILE N N 4 118.854 118.854 115.360 3.494 18220 6251 1 13 . 1 1 13 13 ILE HA H 4 3.740 3.740 3.924 -0.184 18220 6252 1 13 . 1 1 13 13 ILE C C 4 175.228 175.228 175.077 0.151 18220 6253 1 13 . 1 1 13 13 ILE CA C 4 64.500 64.500 61.944 2.557 18220 6254 1 13 . 1 1 13 13 ILE CB C 4 37.102 37.102 36.691 0.411 18220 6255 1 13 . 1 1 13 13 ILE H H 4 8.031 8.031 8.038 -0.007 18220 6256 1 13 . 1 1 14 14 GLY N N 5 107.478 107.478 107.936 -0.458 18220 6257 1 13 . 1 1 14 14 GLY C C 5 174.424 174.424 173.976 0.448 18220 6258 1 13 . 1 1 14 14 GLY CA C 5 47.059 47.059 44.854 2.205 18220 6259 1 13 . 1 1 14 14 GLY H H 5 8.148 8.148 8.035 0.113 18220 6260 1 13 . 1 1 15 15 PHE N N 6 122.774 122.774 123.732 -0.958 18220 6261 1 13 . 1 1 15 15 PHE HA H 6 4.480 4.480 4.544 -0.064 18220 6262 1 13 . 1 1 15 15 PHE C C 6 175.113 175.113 177.127 -2.014 18220 6263 1 13 . 1 1 15 15 PHE CA C 6 60.017 60.017 59.898 0.119 18220 6264 1 13 . 1 1 15 15 PHE CB C 6 38.774 38.774 39.610 -0.836 18220 6265 1 13 . 1 1 15 15 PHE H H 6 8.194 8.194 8.593 -0.399 18220 6266 1 13 . 1 1 16 16 GLY N N 7 107.938 107.938 108.187 -0.249 18220 6267 1 13 . 1 1 16 16 GLY C C 7 171.838 171.838 175.975 -4.137 18220 6268 1 13 . 1 1 16 16 GLY CA C 7 47.100 47.100 47.591 -0.491 18220 6269 1 13 . 1 1 16 16 GLY H H 7 8.697 8.697 8.585 0.112 18220 6270 1 13 . 1 1 17 17 TYR N N 8 121.785 121.785 123.185 -1.400 18220 6271 1 13 . 1 1 17 17 TYR HA H 8 4.150 4.150 4.112 0.038 18220 6272 1 13 . 1 1 17 17 TYR C C 8 174.180 174.180 177.686 -3.506 18220 6273 1 13 . 1 1 17 17 TYR CA C 8 61.300 61.300 61.248 0.052 18220 6274 1 13 . 1 1 17 17 TYR CB C 8 37.959 37.959 38.311 -0.352 18220 6275 1 13 . 1 1 17 17 TYR H H 8 8.710 8.710 8.382 0.328 18220 6276 1 13 . 1 1 18 18 ALA N N 9 120.233 120.233 121.175 -0.942 18220 6277 1 13 . 1 1 18 18 ALA HA H 9 3.950 3.950 3.898 0.052 18220 6278 1 13 . 1 1 18 18 ALA C C 9 178.059 178.059 178.862 -0.803 18220 6279 1 13 . 1 1 18 18 ALA CA C 9 54.872 54.872 55.029 -0.157 18220 6280 1 13 . 1 1 18 18 ALA CB C 9 17.562 17.562 17.779 -0.217 18220 6281 1 13 . 1 1 18 18 ALA H H 9 7.843 7.843 8.172 -0.329 18220 6282 1 13 . 1 1 19 19 ALA N N 10 121.797 121.797 120.981 0.816 18220 6283 1 13 . 1 1 19 19 ALA HA H 10 3.950 3.950 4.213 -0.263 18220 6284 1 13 . 1 1 19 19 ALA C C 10 176.191 176.191 179.758 -3.567 18220 6285 1 13 . 1 1 19 19 ALA CA C 10 54.600 54.600 54.724 -0.124 18220 6286 1 13 . 1 1 19 19 ALA CB C 10 17.562 17.562 18.383 -0.821 18220 6287 1 13 . 1 1 19 19 ALA H H 10 8.212 8.212 8.011 0.201 18220 6288 1 13 . 1 1 20 20 LEU N N 11 119.442 119.442 120.709 -1.267 18220 6289 1 13 . 1 1 20 20 LEU HA H 11 3.937 3.937 4.034 -0.097 18220 6290 1 13 . 1 1 20 20 LEU C C 11 176.694 176.694 178.564 -1.870 18220 6291 1 13 . 1 1 20 20 LEU CA C 11 57.800 57.800 58.031 -0.231 18220 6292 1 13 . 1 1 20 20 LEU CB C 11 41.222 41.222 42.150 -0.928 18220 6293 1 13 . 1 1 20 20 LEU H H 11 8.065 8.065 7.895 0.170 18220 6294 1 13 . 1 1 21 21 VAL N N 12 118.323 118.323 119.314 -0.991 18220 6295 1 13 . 1 1 21 21 VAL HA H 12 3.640 3.640 3.465 0.175 18220 6296 1 13 . 1 1 21 21 VAL C C 12 176.536 176.536 177.927 -1.391 18220 6297 1 13 . 1 1 21 21 VAL CA C 12 65.400 65.400 67.672 -2.272 18220 6298 1 13 . 1 1 21 21 VAL CB C 12 31.135 31.135 31.260 -0.125 18220 6299 1 13 . 1 1 21 21 VAL H H 12 8.051 8.051 8.531 -0.480 18220 6300 1 13 . 1 1 22 22 THR N N 13 118.298 118.298 116.483 1.815 18220 6301 1 13 . 1 1 22 22 THR HA H 13 4.660 4.660 3.883 0.777 18220 6302 1 13 . 1 1 22 22 THR C C 13 173.734 173.734 176.552 -2.818 18220 6303 1 13 . 1 1 22 22 THR CA C 13 66.300 66.300 67.010 -0.710 18220 6304 1 13 . 1 1 22 22 THR CB C 13 67.775 67.775 68.765 -0.990 18220 6305 1 13 . 1 1 22 22 THR H H 13 7.944 7.944 8.066 -0.121 18220 6306 1 13 . 1 1 23 23 PHE N N 14 121.328 121.328 121.836 -0.508 18220 6307 1 13 . 1 1 23 23 PHE HA H 14 4.340 4.340 4.046 0.294 18220 6308 1 13 . 1 1 23 23 PHE C C 14 174.783 174.783 177.565 -2.782 18220 6309 1 13 . 1 1 23 23 PHE CA C 14 60.500 60.500 61.513 -1.013 18220 6310 1 13 . 1 1 23 23 PHE CB C 14 38.626 38.626 38.801 -0.175 18220 6311 1 13 . 1 1 23 23 PHE H H 14 8.567 8.567 8.309 0.258 18220 6312 1 13 . 1 1 24 24 GLY N N 15 106.871 106.871 106.429 0.442 18220 6313 1 13 . 1 1 24 24 GLY C C 15 172.858 172.858 176.181 -3.323 18220 6314 1 13 . 1 1 24 24 GLY CA C 15 46.900 46.900 47.196 -0.296 18220 6315 1 13 . 1 1 24 24 GLY H H 15 8.475 8.475 8.609 -0.134 18220 6316 1 13 . 1 1 25 25 SER N N 16 116.214 116.214 118.012 -1.798 18220 6317 1 13 . 1 1 25 25 SER HA H 16 4.280 4.280 4.149 0.131 18220 6318 1 13 . 1 1 25 25 SER CA C 16 60.300 60.300 61.650 -1.350 18220 6319 1 13 . 1 1 25 25 SER CB C 16 62.879 62.879 62.991 -0.112 18220 6320 1 13 . 1 1 25 25 SER H H 16 7.963 7.963 8.443 -0.480 18220 6321 1 13 . 1 1 26 26 ILE N N 17 121.024 121.024 121.681 -0.657 18220 6322 1 13 . 1 1 26 26 ILE HA H 17 3.946 3.946 3.617 0.329 18220 6323 1 13 . 1 1 26 26 ILE C C 17 173.935 173.935 177.482 -3.547 18220 6324 1 13 . 1 1 26 26 ILE CA C 17 63.100 63.100 64.843 -1.743 18220 6325 1 13 . 1 1 26 26 ILE CB C 17 38.107 38.107 38.047 0.060 18220 6326 1 13 . 1 1 26 26 ILE H H 17 7.676 7.676 8.177 -0.501 18220 6327 1 13 . 1 1 27 27 PHE N N 18 117.142 117.142 118.586 -1.444 18220 6328 1 13 . 1 1 27 27 PHE HA H 18 4.430 4.430 4.092 0.338 18220 6329 1 13 . 1 1 27 27 PHE C C 18 173.504 173.504 177.354 -3.850 18220 6330 1 13 . 1 1 27 27 PHE CA C 18 58.500 58.500 60.624 -2.124 18220 6331 1 13 . 1 1 27 27 PHE CB C 18 38.774 38.774 38.880 -0.106 18220 6332 1 13 . 1 1 27 27 PHE H H 18 7.703 7.703 7.971 -0.268 18220 6333 1 13 . 1 1 28 28 GLY N N 19 107.303 107.303 104.036 3.267 18220 6334 1 13 . 1 1 28 28 GLY C C 19 171.593 171.593 173.957 -2.364 18220 6335 1 13 . 1 1 28 28 GLY CA C 19 45.600 45.600 45.054 0.546 18220 6336 1 13 . 1 1 28 28 GLY H H 19 7.722 7.722 7.739 -0.017 18220 6337 1 13 . 1 1 29 29 TYR N N 20 119.862 119.862 118.880 0.982 18220 6338 1 13 . 1 1 29 29 TYR HA H 20 4.392 4.392 4.105 0.287 18220 6339 1 13 . 1 1 29 29 TYR C C 20 173.174 173.174 174.533 -1.359 18220 6340 1 13 . 1 1 29 29 TYR CA C 20 58.500 58.500 59.007 -0.507 18220 6341 1 13 . 1 1 29 29 TYR CB C 20 38.404 38.404 38.410 -0.006 18220 6342 1 13 . 1 1 29 29 TYR H H 20 7.880 7.880 7.816 0.064 18220 6343 1 13 . 1 1 30 30 LYS N N 21 122.335 122.335 125.391 -3.056 18220 6344 1 13 . 1 1 30 30 LYS HA H 21 4.390 4.390 4.588 -0.198 18220 6345 1 13 . 1 1 30 30 LYS C C 21 173.547 173.547 176.544 -2.997 18220 6346 1 13 . 1 1 30 30 LYS CA C 21 55.800 55.800 55.118 0.682 18220 6347 1 13 . 1 1 30 30 LYS CB C 21 32.396 32.396 33.613 -1.217 18220 6348 1 13 . 1 1 30 30 LYS H H 21 7.934 7.934 8.041 -0.107 18220 6349 1 13 . 1 1 31 31 ARG N N 22 120.612 120.612 120.389 0.223 18220 6350 1 13 . 1 1 31 31 ARG C C 22 173.547 173.547 176.609 -3.062 18220 6351 1 13 . 1 1 31 31 ARG CA C 22 55.834 55.834 57.812 -1.978 18220 6352 1 13 . 1 1 31 31 ARG CB C 22 30.101 30.101 30.786 -0.685 18220 6353 1 13 . 1 1 31 31 ARG H H 22 7.905 7.905 8.582 -0.677 18220 6354 1 13 . 1 1 32 32 ARG N N 23 121.748 121.748 115.639 6.109 18220 6355 1 13 . 1 1 32 32 ARG HA H 23 4.310 4.310 4.251 0.059 18220 6356 1 13 . 1 1 32 32 ARG C C 23 173.863 173.863 174.348 -0.485 18220 6357 1 13 . 1 1 32 32 ARG CA C 23 55.800 55.800 55.754 0.046 18220 6358 1 13 . 1 1 32 32 ARG CB C 23 30.245 30.245 31.291 -1.046 18220 6359 1 13 . 1 1 32 32 ARG H H 23 8.175 8.175 7.784 0.391 18220 6360 1 13 . 1 1 33 33 GLY N N 24 109.528 109.528 108.418 1.110 18220 6361 1 13 . 1 1 33 33 GLY C C 24 171.752 171.752 173.430 -1.678 18220 6362 1 13 . 1 1 33 33 GLY CA C 24 44.900 44.900 44.674 0.226 18220 6363 1 13 . 1 1 33 33 GLY H H 24 8.264 8.264 8.204 0.060 18220 6364 1 13 . 1 1 34 34 GLY N N 25 108.563 108.563 108.748 -0.185 18220 6365 1 13 . 1 1 34 34 GLY C C 25 171.701 171.701 173.168 -1.467 18220 6366 1 13 . 1 1 34 34 GLY CA C 25 44.600 44.600 45.542 -0.942 18220 6367 1 13 . 1 1 34 34 GLY H H 25 8.208 8.208 7.951 0.257 18220 6368 1 13 . 1 1 35 35 VAL N N 26 121.164 121.164 117.708 3.456 18220 6369 1 13 . 1 1 35 35 VAL HA H 26 4.010 4.010 4.561 -0.551 18220 6370 1 13 . 1 1 35 35 VAL C C 26 175.888 175.888 173.552 2.336 18220 6371 1 13 . 1 1 35 35 VAL CA C 26 63.900 63.900 59.483 4.417 18220 6372 1 13 . 1 1 35 35 VAL CB C 26 30.690 30.690 33.722 -3.032 18220 6373 1 13 . 1 1 35 35 VAL H H 26 8.485 8.485 7.565 0.920 18220 6374 1 13 . 1 1 36 36 PRO C C 27 177.660 177.660 177.020 0.640 18220 6375 1 13 . 1 1 36 36 PRO CA C 27 61.847 61.847 64.125 -2.278 18220 6376 1 13 . 1 1 37 37 SER N N 28 116.023 116.023 115.108 0.915 18220 6377 1 13 . 1 1 37 37 SER HA H 28 4.280 4.280 4.452 -0.172 18220 6378 1 13 . 1 1 37 37 SER CA C 28 61.100 61.100 60.096 1.004 18220 6379 1 13 . 1 1 37 37 SER H H 28 7.948 7.948 7.787 0.161 18220 6380 1 13 . 1 1 38 38 LEU N N 29 124.029 124.029 123.542 0.487 18220 6381 1 13 . 1 1 38 38 LEU HA H 29 4.170 4.170 3.992 0.178 18220 6382 1 13 . 1 1 38 38 LEU C C 29 176.132 176.132 178.239 -2.107 18220 6383 1 13 . 1 1 38 38 LEU CA C 29 57.500 57.500 58.010 -0.510 18220 6384 1 13 . 1 1 38 38 LEU CB C 29 42.038 42.038 41.872 0.166 18220 6385 1 13 . 1 1 38 38 LEU H H 29 8.201 8.201 8.015 0.186 18220 6386 1 13 . 1 1 39 39 ILE N N 30 117.098 117.098 116.117 0.981 18220 6387 1 13 . 1 1 39 39 ILE HA H 30 4.370 4.370 3.655 0.715 18220 6388 1 13 . 1 1 39 39 ILE C C 30 176.478 176.478 177.395 -0.917 18220 6389 1 13 . 1 1 39 39 ILE CA C 30 63.079 63.079 64.793 -1.714 18220 6390 1 13 . 1 1 39 39 ILE CB C 30 36.973 36.973 36.548 0.425 18220 6391 1 13 . 1 1 39 39 ILE H H 30 7.662 7.662 7.591 0.071 18220 6392 1 13 . 1 1 40 40 ALA N N 31 122.447 122.447 122.627 -0.180 18220 6393 1 13 . 1 1 40 40 ALA HA H 31 4.034 4.034 4.048 -0.014 18220 6394 1 13 . 1 1 40 40 ALA C C 31 177.067 177.067 179.965 -2.898 18220 6395 1 13 . 1 1 40 40 ALA CA C 31 55.962 55.962 55.230 0.732 18220 6396 1 13 . 1 1 40 40 ALA CB C 31 17.856 17.856 17.627 0.229 18220 6397 1 13 . 1 1 40 40 ALA H H 31 8.096 8.096 8.021 0.075 18220 6398 1 13 . 1 1 41 41 GLY N N 32 104.056 104.056 106.646 -2.590 18220 6399 1 13 . 1 1 41 41 GLY C C 32 174.251 174.251 176.037 -1.786 18220 6400 1 13 . 1 1 41 41 GLY CA C 32 46.500 46.500 46.679 -0.179 18220 6401 1 13 . 1 1 41 41 GLY H H 32 8.123 8.123 8.172 -0.049 18220 6402 1 13 . 1 1 42 42 LEU N N 33 123.250 123.250 123.266 -0.016 18220 6403 1 13 . 1 1 42 42 LEU HA H 33 3.857 3.857 4.244 -0.387 18220 6404 1 13 . 1 1 42 42 LEU C C 33 176.033 176.033 177.823 -1.790 18220 6405 1 13 . 1 1 42 42 LEU CA C 33 56.668 56.668 57.558 -0.890 18220 6406 1 13 . 1 1 42 42 LEU CB C 33 41.721 41.721 42.191 -0.470 18220 6407 1 13 . 1 1 42 42 LEU H H 33 7.914 7.914 8.000 -0.086 18220 6408 1 13 . 1 1 43 43 PHE N N 34 119.757 119.757 119.904 -0.147 18220 6409 1 13 . 1 1 43 43 PHE HA H 34 4.200 4.200 4.140 0.060 18220 6410 1 13 . 1 1 43 43 PHE C C 34 174.374 174.374 177.128 -2.754 18220 6411 1 13 . 1 1 43 43 PHE CA C 34 59.876 59.876 62.249 -2.373 18220 6412 1 13 . 1 1 43 43 PHE CB C 34 38.834 38.834 39.287 -0.453 18220 6413 1 13 . 1 1 43 43 PHE H H 34 8.287 8.287 8.655 -0.368 18220 6414 1 13 . 1 1 44 44 VAL N N 35 117.791 117.791 119.283 -1.492 18220 6415 1 13 . 1 1 44 44 VAL HA H 35 3.610 3.610 3.735 -0.125 18220 6416 1 13 . 1 1 44 44 VAL C C 35 176.205 176.205 177.671 -1.466 18220 6417 1 13 . 1 1 44 44 VAL CA C 35 64.559 64.559 66.630 -2.071 18220 6418 1 13 . 1 1 44 44 VAL CB C 35 31.432 31.432 31.865 -0.433 18220 6419 1 13 . 1 1 44 44 VAL H H 35 8.235 8.235 8.590 -0.355 18220 6420 1 13 . 1 1 45 45 GLY N N 36 108.551 108.551 107.094 1.457 18220 6421 1 13 . 1 1 45 45 GLY C C 36 173.749 173.749 175.553 -1.804 18220 6422 1 13 . 1 1 45 45 GLY CA C 36 46.083 46.083 47.472 -1.389 18220 6423 1 13 . 1 1 45 45 GLY H H 36 8.178 8.178 8.205 -0.027 18220 6424 1 13 . 1 1 46 46 CYS N N 37 121.173 121.173 120.775 0.398 18220 6425 1 13 . 1 1 46 46 CYS HA H 37 4.180 4.180 3.966 0.214 18220 6426 1 13 . 1 1 46 46 CYS C C 37 173.710 173.710 176.568 -2.858 18220 6427 1 13 . 1 1 46 46 CYS CA C 37 63.000 63.000 64.077 -1.077 18220 6428 1 13 . 1 1 46 46 CYS CB C 37 60.283 60.283 27.994 32.289 18220 6429 1 13 . 1 1 46 46 CYS H H 37 8.253 8.253 7.956 0.297 18220 6430 1 13 . 1 1 47 47 LEU N N 38 120.283 120.283 121.090 -0.807 18220 6431 1 13 . 1 1 47 47 LEU HA H 38 4.060 4.060 3.717 0.343 18220 6432 1 13 . 1 1 47 47 LEU C C 38 176.679 176.679 178.240 -1.561 18220 6433 1 13 . 1 1 47 47 LEU CA C 38 56.027 56.027 58.352 -2.325 18220 6434 1 13 . 1 1 47 47 LEU CB C 38 41.464 41.464 41.940 -0.476 18220 6435 1 13 . 1 1 47 47 LEU H H 38 7.965 7.965 8.000 -0.035 18220 6436 1 13 . 1 1 48 48 ALA N N 39 122.249 122.249 119.281 2.968 18220 6437 1 13 . 1 1 48 48 ALA HA H 39 4.142 4.142 3.910 0.232 18220 6438 1 13 . 1 1 48 48 ALA C C 39 177.915 177.915 179.842 -1.927 18220 6439 1 13 . 1 1 48 48 ALA CA C 39 53.717 53.717 55.280 -1.563 18220 6440 1 13 . 1 1 48 48 ALA CB C 39 17.985 17.985 18.013 -0.028 18220 6441 1 13 . 1 1 48 48 ALA H H 39 8.066 8.066 8.327 -0.261 18220 6442 1 13 . 1 1 49 49 GLY N N 40 107.377 107.377 107.167 0.210 18220 6443 1 13 . 1 1 49 49 GLY C C 40 172.527 172.527 175.499 -2.972 18220 6444 1 13 . 1 1 49 49 GLY CA C 40 45.450 45.450 46.902 -1.452 18220 6445 1 13 . 1 1 49 49 GLY H H 40 8.172 8.172 8.129 0.043 18220 6446 1 13 . 1 1 50 50 TYR N N 41 122.409 122.409 124.230 -1.821 18220 6447 1 13 . 1 1 50 50 TYR HA H 41 3.799 3.799 4.024 -0.225 18220 6448 1 13 . 1 1 50 50 TYR C C 41 174.208 174.208 178.091 -3.883 18220 6449 1 13 . 1 1 50 50 TYR CA C 41 59.245 59.245 60.989 -1.744 18220 6450 1 13 . 1 1 50 50 TYR CB C 41 37.936 37.936 37.880 0.056 18220 6451 1 13 . 1 1 50 50 TYR H H 41 7.800 7.800 8.251 -0.451 18220 6452 1 13 . 1 1 51 51 GLY N N 42 106.935 106.935 105.721 1.214 18220 6453 1 13 . 1 1 51 51 GLY C C 42 172.642 172.642 175.448 -2.806 18220 6454 1 13 . 1 1 51 51 GLY CA C 42 46.265 46.265 46.854 -0.589 18220 6455 1 13 . 1 1 51 51 GLY H H 42 8.199 8.199 8.171 0.028 18220 6456 1 13 . 1 1 52 52 ALA N N 43 123.018 123.018 124.833 -1.815 18220 6457 1 13 . 1 1 52 52 ALA HA H 43 4.150 4.150 3.889 0.261 18220 6458 1 13 . 1 1 52 52 ALA C C 43 176.398 176.398 178.481 -2.083 18220 6459 1 13 . 1 1 52 52 ALA CA C 43 52.883 52.883 54.741 -1.858 18220 6460 1 13 . 1 1 52 52 ALA CB C 43 18.241 18.241 18.402 -0.161 18220 6461 1 13 . 1 1 52 52 ALA H H 43 7.758 7.758 8.263 -0.505 18220 6462 1 13 . 1 1 53 53 TYR N N 44 119.664 119.664 118.356 1.308 18220 6463 1 13 . 1 1 53 53 TYR HA H 44 4.318 4.318 4.223 0.095 18220 6464 1 13 . 1 1 53 53 TYR C C 44 174.180 174.180 177.596 -3.416 18220 6465 1 13 . 1 1 53 53 TYR CA C 44 58.593 58.593 61.288 -2.695 18220 6466 1 13 . 1 1 53 53 TYR CB C 44 38.192 38.192 38.759 -0.567 18220 6467 1 13 . 1 1 53 53 TYR H H 44 7.920 7.920 8.109 -0.189 18220 6468 1 13 . 1 1 54 54 ARG N N 45 119.516 119.516 118.201 1.315 18220 6469 1 13 . 1 1 54 54 ARG HA H 45 3.930 3.930 3.937 -0.007 18220 6470 1 13 . 1 1 54 54 ARG C C 45 174.423 174.423 177.902 -3.479 18220 6471 1 13 . 1 1 54 54 ARG CA C 45 56.027 56.027 58.820 -2.793 18220 6472 1 13 . 1 1 54 54 ARG CB C 45 30.173 30.173 30.376 -0.203 18220 6473 1 13 . 1 1 54 54 ARG H H 45 7.956 7.956 7.755 0.201 18220 6474 1 13 . 1 1 55 55 VAL N N 46 116.437 116.437 117.029 -0.592 18220 6475 1 13 . 1 1 55 55 VAL HA H 46 4.060 4.060 3.950 0.110 18220 6476 1 13 . 1 1 55 55 VAL C C 46 173.806 173.806 175.492 -1.686 18220 6477 1 13 . 1 1 55 55 VAL CA C 46 62.300 62.300 63.060 -0.761 18220 6478 1 13 . 1 1 55 55 VAL CB C 46 31.521 31.521 32.541 -1.020 18220 6479 1 13 . 1 1 55 55 VAL H H 46 7.489 7.489 8.213 -0.724 18220 6480 1 13 . 1 1 56 56 SER N N 47 117.185 117.185 114.832 2.353 18220 6481 1 13 . 1 1 56 56 SER HA H 47 4.401 4.401 4.180 0.221 18220 6482 1 13 . 1 1 56 56 SER C C 47 172.074 172.074 173.566 -1.492 18220 6483 1 13 . 1 1 56 56 SER CA C 47 58.133 58.133 59.244 -1.111 18220 6484 1 13 . 1 1 56 56 SER CB C 47 63.468 63.468 62.462 1.006 18220 6485 1 13 . 1 1 56 56 SER H H 47 7.728 7.728 7.956 -0.228 18220 6486 1 13 . 1 1 57 57 ASN N N 48 121.049 121.049 120.873 0.176 18220 6487 1 13 . 1 1 57 57 ASN HA H 48 4.590 4.590 4.663 -0.073 18220 6488 1 13 . 1 1 57 57 ASN CA C 48 53.600 53.600 53.983 -0.383 18220 6489 1 13 . 1 1 57 57 ASN CB C 48 38.641 38.641 40.811 -2.170 18220 6490 1 13 . 1 1 57 57 ASN H H 48 8.228 8.228 8.536 -0.308 18220 6491 1 13 . 1 1 58 58 ASP N N 49 120.276 120.276 120.613 -0.337 18220 6492 1 13 . 1 1 58 58 ASP HA H 49 4.530 4.530 4.701 -0.171 18220 6493 1 13 . 1 1 58 58 ASP CA C 49 54.202 54.202 53.415 0.787 18220 6494 1 13 . 1 1 58 58 ASP CB C 49 40.374 40.374 40.936 -0.562 18220 6495 1 13 . 1 1 58 58 ASP H H 49 8.192 8.192 8.223 -0.031 18220 6496 1 13 . 1 1 59 59 LYS N N 50 120.660 120.660 121.824 -1.164 18220 6497 1 13 . 1 1 59 59 LYS HA H 50 4.200 4.200 3.920 0.280 18220 6498 1 13 . 1 1 59 59 LYS C C 50 173.474 173.474 175.545 -2.071 18220 6499 1 13 . 1 1 59 59 LYS CA C 50 56.300 56.300 57.531 -1.231 18220 6500 1 13 . 1 1 59 59 LYS CB C 50 32.034 32.034 32.043 -0.009 18220 6501 1 13 . 1 1 59 59 LYS H H 50 8.003 8.003 8.388 -0.385 18220 6502 1 13 . 1 1 60 60 ARG N N 51 121.278 121.278 117.111 4.167 18220 6503 1 13 . 1 1 60 60 ARG HA H 51 4.200 4.200 4.363 -0.163 18220 6504 1 13 . 1 1 60 60 ARG C C 51 173.303 173.303 174.423 -1.120 18220 6505 1 13 . 1 1 60 60 ARG CA C 51 56.283 56.283 57.536 -1.253 18220 6506 1 13 . 1 1 60 60 ARG CB C 51 30.238 30.238 32.447 -2.209 18220 6507 1 13 . 1 1 60 60 ARG H H 51 8.091 8.091 8.527 -0.436 18220 6508 1 13 . 1 1 61 61 ASP N N 52 121.185 121.185 115.304 5.881 18220 6509 1 13 . 1 1 61 61 ASP HA H 52 4.615 4.615 4.898 -0.283 18220 6510 1 13 . 1 1 61 61 ASP C C 52 173.777 173.777 175.726 -1.949 18220 6511 1 13 . 1 1 61 61 ASP CA C 52 53.979 53.979 52.463 1.516 18220 6512 1 13 . 1 1 61 61 ASP CB C 52 40.245 40.245 43.114 -2.869 18220 6513 1 13 . 1 1 61 61 ASP H H 52 8.261 8.261 7.777 0.484 18220 6514 1 13 . 1 1 62 62 VAL N N 53 121.902 121.902 118.539 3.363 18220 6515 1 13 . 1 1 62 62 VAL HA H 53 3.950 3.950 3.558 0.392 18220 6516 1 13 . 1 1 62 62 VAL C C 53 173.279 173.279 177.760 -4.481 18220 6517 1 13 . 1 1 62 62 VAL CA C 53 63.176 63.176 65.690 -2.514 18220 6518 1 13 . 1 1 62 62 VAL CB C 53 32.099 32.099 30.936 1.163 18220 6519 1 13 . 1 1 62 62 VAL H H 53 7.997 7.997 8.648 -0.651 18220 6520 1 13 . 1 1 63 63 LYS N N 54 123.522 123.522 120.208 3.314 18220 6521 1 13 . 1 1 63 63 LYS HA H 54 4.260 4.260 3.952 0.308 18220 6522 1 13 . 1 1 63 63 LYS C C 54 174.481 174.481 178.684 -4.203 18220 6523 1 13 . 1 1 63 63 LYS CA C 54 56.347 56.347 59.532 -3.185 18220 6524 1 13 . 1 1 63 63 LYS CB C 54 32.099 32.099 32.460 -0.361 18220 6525 1 13 . 1 1 63 63 LYS H H 54 8.054 8.054 8.041 0.013 18220 6526 1 13 . 1 1 64 64 VAL N N 55 120.647 120.647 118.561 2.086 18220 6527 1 13 . 1 1 64 64 VAL HA H 55 3.947 3.947 3.608 0.339 18220 6528 1 13 . 1 1 64 64 VAL C C 55 174.955 174.955 178.160 -3.205 18220 6529 1 13 . 1 1 64 64 VAL CA C 55 64.600 64.600 66.780 -2.180 18220 6530 1 13 . 1 1 64 64 VAL CB C 55 31.877 31.877 31.497 0.380 18220 6531 1 13 . 1 1 64 64 VAL H H 55 8.225 8.225 7.766 0.459 18220 6532 1 13 . 1 1 65 65 SER N N 56 117.785 117.785 114.427 3.358 18220 6533 1 13 . 1 1 65 65 SER HA H 56 4.390 4.390 4.178 0.212 18220 6534 1 13 . 1 1 65 65 SER C C 56 172.300 172.300 176.722 -4.422 18220 6535 1 13 . 1 1 65 65 SER CA C 56 60.000 60.000 62.065 -2.065 18220 6536 1 13 . 1 1 65 65 SER CB C 56 62.879 62.879 62.937 -0.058 18220 6537 1 13 . 1 1 65 65 SER H H 56 8.260 8.260 7.769 0.491 18220 6538 1 13 . 1 1 66 66 LEU N N 57 123.318 123.318 121.824 1.494 18220 6539 1 13 . 1 1 66 66 LEU HA H 57 4.090 4.090 4.106 -0.016 18220 6540 1 13 . 1 1 66 66 LEU C C 57 175.932 175.932 178.847 -2.915 18220 6541 1 13 . 1 1 66 66 LEU CA C 57 57.502 57.502 57.906 -0.404 18220 6542 1 13 . 1 1 66 66 LEU CB C 57 41.721 41.721 41.333 0.388 18220 6543 1 13 . 1 1 66 66 LEU H H 57 8.091 8.091 7.538 0.553 18220 6544 1 13 . 1 1 67 67 PHE N N 58 118.020 118.020 119.193 -1.173 18220 6545 1 13 . 1 1 67 67 PHE HA H 58 4.330 4.330 4.389 -0.059 18220 6546 1 13 . 1 1 67 67 PHE C C 58 174.912 174.912 177.704 -2.792 18220 6547 1 13 . 1 1 67 67 PHE CA C 58 60.600 60.600 61.487 -0.887 18220 6548 1 13 . 1 1 67 67 PHE CB C 58 38.552 38.552 38.940 -0.388 18220 6549 1 13 . 1 1 67 67 PHE H H 58 8.066 8.066 8.580 -0.514 18220 6550 1 13 . 1 1 68 68 THR N N 59 115.324 115.324 118.460 -3.136 18220 6551 1 13 . 1 1 68 68 THR HA H 59 4.310 4.310 4.194 0.116 18220 6552 1 13 . 1 1 68 68 THR C C 59 173.380 173.380 176.321 -2.941 18220 6553 1 13 . 1 1 68 68 THR CA C 59 66.313 66.313 67.807 -1.494 18220 6554 1 13 . 1 1 68 68 THR CB C 59 67.700 67.700 68.701 -1.001 18220 6555 1 13 . 1 1 68 68 THR H H 59 8.287 8.287 8.312 -0.025 18220 6556 1 13 . 1 1 69 69 ALA N N 60 123.621 123.621 124.406 -0.785 18220 6557 1 13 . 1 1 69 69 ALA HA H 60 4.280 4.280 4.158 0.122 18220 6558 1 13 . 1 1 69 69 ALA C C 60 176.978 176.978 179.209 -2.231 18220 6559 1 13 . 1 1 69 69 ALA CA C 60 55.100 55.100 55.106 -0.006 18220 6560 1 13 . 1 1 69 69 ALA CB C 60 17.728 17.728 18.163 -0.435 18220 6561 1 13 . 1 1 69 69 ALA H H 60 7.983 7.983 8.486 -0.503 18220 6562 1 13 . 1 1 70 70 PHE N N 61 118.520 118.520 119.861 -1.341 18220 6563 1 13 . 1 1 70 70 PHE HA H 61 4.260 4.260 4.088 0.172 18220 6564 1 13 . 1 1 70 70 PHE C C 61 175.369 175.369 176.958 -1.589 18220 6565 1 13 . 1 1 70 70 PHE CA C 61 60.179 60.179 61.735 -1.556 18220 6566 1 13 . 1 1 70 70 PHE CB C 61 38.706 38.706 39.122 -0.416 18220 6567 1 13 . 1 1 70 70 PHE H H 61 8.007 8.007 8.336 -0.329 18220 6568 1 13 . 1 1 71 71 PHE N N 62 122.314 122.314 119.546 2.768 18220 6569 1 13 . 1 1 71 71 PHE HA H 62 4.000 4.000 3.911 0.089 18220 6570 1 13 . 1 1 71 71 PHE C C 62 174.697 174.697 177.039 -2.342 18220 6571 1 13 . 1 1 71 71 PHE CA C 62 60.517 60.517 61.166 -0.649 18220 6572 1 13 . 1 1 71 71 PHE CB C 62 38.770 38.770 39.240 -0.470 18220 6573 1 13 . 1 1 71 71 PHE H H 62 8.546 8.546 8.056 0.490 18220 6574 1 13 . 1 1 72 72 LEU N N 63 119.399 119.399 121.613 -2.214 18220 6575 1 13 . 1 1 72 72 LEU HA H 63 3.870 3.870 3.868 0.002 18220 6576 1 13 . 1 1 72 72 LEU C C 63 175.774 175.774 178.928 -3.154 18220 6577 1 13 . 1 1 72 72 LEU CA C 63 56.925 56.925 57.927 -1.002 18220 6578 1 13 . 1 1 72 72 LEU CB C 63 41.207 41.207 40.718 0.489 18220 6579 1 13 . 1 1 72 72 LEU H H 63 8.396 8.396 8.582 -0.186 18220 6580 1 13 . 1 1 73 73 ALA N N 64 120.221 120.221 120.582 -0.361 18220 6581 1 13 . 1 1 73 73 ALA HA H 64 3.960 3.960 3.795 0.165 18220 6582 1 13 . 1 1 73 73 ALA C C 64 177.267 177.267 179.580 -2.313 18220 6583 1 13 . 1 1 73 73 ALA CA C 64 54.600 54.600 55.442 -0.842 18220 6584 1 13 . 1 1 73 73 ALA CB C 64 17.784 17.784 18.034 -0.250 18220 6585 1 13 . 1 1 73 73 ALA H H 64 8.025 8.025 8.401 -0.376 18220 6586 1 13 . 1 1 74 74 THR N N 65 113.648 113.648 115.284 -1.636 18220 6587 1 13 . 1 1 74 74 THR HA H 65 3.980 3.980 3.941 0.039 18220 6588 1 13 . 1 1 74 74 THR CA C 65 66.291 66.291 66.765 -0.474 18220 6589 1 13 . 1 1 74 74 THR CB C 65 67.914 67.914 68.182 -0.268 18220 6590 1 13 . 1 1 74 74 THR H H 65 7.717 7.717 7.883 -0.166 18220 6591 1 13 . 1 1 75 75 ILE N N 66 120.291 120.291 119.946 0.345 18220 6592 1 13 . 1 1 75 75 ILE HA H 66 3.740 3.740 3.650 0.090 18220 6593 1 13 . 1 1 75 75 ILE C C 66 174.951 174.951 176.919 -1.968 18220 6594 1 13 . 1 1 75 75 ILE CA C 66 64.880 64.880 63.702 1.178 18220 6595 1 13 . 1 1 75 75 ILE CB C 66 37.166 37.166 38.052 -0.886 18220 6596 1 13 . 1 1 75 75 ILE H H 66 7.738 7.738 7.654 0.084 18220 6597 1 13 . 1 1 76 76 MET N N 67 117.618 117.618 117.812 -0.194 18220 6598 1 13 . 1 1 76 76 MET HA H 67 4.220 4.220 4.322 -0.102 18220 6599 1 13 . 1 1 76 76 MET C C 67 175.142 175.142 177.116 -1.974 18220 6600 1 13 . 1 1 76 76 MET CA C 67 56.723 56.723 57.617 -0.894 18220 6601 1 13 . 1 1 76 76 MET CB C 67 31.951 31.951 33.246 -1.295 18220 6602 1 13 . 1 1 76 76 MET H H 67 7.823 7.823 7.874 -0.051 18220 6603 1 13 . 1 1 77 77 GLY N N 68 107.110 107.110 105.148 1.962 18220 6604 1 13 . 1 1 77 77 GLY C C 68 172.260 172.260 173.550 -1.290 18220 6605 1 13 . 1 1 77 77 GLY CA C 68 45.800 45.800 45.031 0.769 18220 6606 1 13 . 1 1 77 77 GLY H H 68 7.937 7.937 8.170 -0.233 18220 6607 1 13 . 1 1 78 78 VAL N N 69 120.431 120.431 117.617 2.814 18220 6608 1 13 . 1 1 78 78 VAL HA H 69 4.220 4.220 4.252 -0.032 18220 6609 1 13 . 1 1 78 78 VAL CA C 69 63.900 63.900 62.489 1.411 18220 6610 1 13 . 1 1 78 78 VAL CB C 69 31.506 31.506 34.295 -2.789 18220 6611 1 13 . 1 1 78 78 VAL H H 69 7.697 7.697 8.078 -0.381 18220 6612 1 13 . 1 1 79 79 ARG N N 70 121.420 121.420 119.274 2.146 18220 6613 1 13 . 1 1 79 79 ARG HA H 70 3.810 3.810 4.482 -0.672 18220 6614 1 13 . 1 1 79 79 ARG CA C 70 56.400 56.400 56.235 0.165 18220 6615 1 13 . 1 1 79 79 ARG CB C 70 30.097 30.097 30.244 -0.147 18220 6616 1 13 . 1 1 79 79 ARG H H 70 7.889 7.889 8.199 -0.310 18220 6617 1 13 . 1 1 80 80 PHE N N 71 119.949 119.949 121.778 -1.829 18220 6618 1 13 . 1 1 80 80 PHE HA H 71 4.510 4.510 4.819 -0.309 18220 6619 1 13 . 1 1 80 80 PHE CA C 71 58.600 58.600 56.753 1.847 18220 6620 1 13 . 1 1 80 80 PHE CB C 71 39.145 39.145 39.375 -0.230 18220 6621 1 13 . 1 1 80 80 PHE H H 71 8.101 8.101 7.977 0.124 18220 6622 1 13 . 1 1 81 81 LYS N N 72 122.193 122.193 121.555 0.638 18220 6623 1 13 . 1 1 81 81 LYS CA C 72 56.800 56.800 55.540 1.260 18220 6624 1 13 . 1 1 81 81 LYS CB C 72 32.322 32.322 33.583 -1.260 18220 6625 1 13 . 1 1 81 81 LYS H H 72 8.090 8.090 8.551 -0.461 18220 6626 1 13 . 1 1 82 82 ARG N N 73 119.650 119.650 121.709 -2.059 18220 6627 1 13 . 1 1 82 82 ARG CA C 73 56.089 56.089 55.227 0.862 18220 6628 1 13 . 1 1 82 82 ARG CB C 73 30.171 30.171 32.087 -1.917 18220 6629 1 13 . 1 1 82 82 ARG H H 73 8.052 8.052 8.322 -0.270 18220 6630 1 13 . 1 1 83 83 SER N N 74 115.734 115.734 113.646 2.088 18220 6631 1 13 . 1 1 83 83 SER CA C 74 58.355 58.355 58.458 -0.103 18220 6632 1 13 . 1 1 83 83 SER CB C 74 63.404 63.404 62.954 0.450 18220 6633 1 13 . 1 1 83 83 SER H H 74 7.912 7.912 8.353 -0.441 18220 6634 1 13 . 1 1 84 84 LYS N N 75 122.370 122.370 123.237 -0.867 18220 6635 1 13 . 1 1 84 84 LYS CA C 75 56.135 56.135 57.008 -0.873 18220 6636 1 13 . 1 1 84 84 LYS CB C 75 32.175 32.175 32.830 -0.655 18220 6637 1 13 . 1 1 84 84 LYS H H 75 8.067 8.067 7.942 0.125 18220 6638 1 13 . 1 1 86 86 ILE N N 77 119.592 119.592 118.189 1.403 18220 6639 1 13 . 1 1 86 86 ILE HA H 77 3.810 3.810 3.849 -0.039 18220 6640 1 13 . 1 1 86 86 ILE CA C 77 64.900 64.900 62.142 2.758 18220 6641 1 13 . 1 1 86 86 ILE CB C 77 39.145 39.145 37.379 1.766 18220 6642 1 13 . 1 1 86 86 ILE H H 77 7.837 7.837 8.118 -0.281 18220 6643 1 13 . 1 1 87 87 MET N N 78 121.645 121.645 124.286 -2.641 18220 6644 1 13 . 1 1 87 87 MET CA C 78 52.982 52.982 55.343 -2.361 18220 6645 1 13 . 1 1 87 87 MET CB C 78 32.173 32.173 33.051 -0.878 18220 6646 1 13 . 1 1 87 87 MET H H 78 7.950 7.950 7.999 -0.049 18220 6647 1 13 . 1 1 88 88 PRO HA H 79 4.140 4.140 4.408 -0.268 18220 6648 1 13 . 1 1 88 88 PRO C C 79 173.921 173.921 177.232 -3.311 18220 6649 1 13 . 1 1 88 88 PRO CA C 79 62.800 62.800 64.442 -1.642 18220 6650 1 13 . 1 1 88 88 PRO CB C 79 31.136 31.136 31.418 -0.282 18220 6651 1 13 . 1 1 89 89 ALA N N 80 124.431 124.431 121.595 2.836 18220 6652 1 13 . 1 1 89 89 ALA HA H 80 4.400 4.400 4.000 0.400 18220 6653 1 13 . 1 1 89 89 ALA C C 80 176.234 176.234 179.980 -3.746 18220 6654 1 13 . 1 1 89 89 ALA CA C 80 53.300 53.300 55.192 -1.892 18220 6655 1 13 . 1 1 89 89 ALA CB C 80 18.498 18.498 18.025 0.473 18220 6656 1 13 . 1 1 89 89 ALA H H 80 8.320 8.320 8.284 0.036 18220 6657 1 13 . 1 1 90 90 GLY N N 81 106.834 106.834 106.943 -0.109 18220 6658 1 13 . 1 1 90 90 GLY C C 81 172.398 172.398 176.079 -3.681 18220 6659 1 13 . 1 1 90 90 GLY CA C 81 45.600 45.600 47.085 -1.485 18220 6660 1 13 . 1 1 90 90 GLY H H 81 8.458 8.458 8.158 0.300 18220 6661 1 13 . 1 1 91 91 LEU N N 82 121.043 121.043 122.407 -1.364 18220 6662 1 13 . 1 1 91 91 LEU HA H 82 4.200 4.200 3.980 0.220 18220 6663 1 13 . 1 1 91 91 LEU C C 82 174.783 174.783 178.774 -3.991 18220 6664 1 13 . 1 1 91 91 LEU CA C 82 56.300 56.300 57.827 -1.527 18220 6665 1 13 . 1 1 91 91 LEU CB C 82 42.106 42.106 41.966 0.140 18220 6666 1 13 . 1 1 91 91 LEU H H 82 7.687 7.687 7.650 0.037 18220 6667 1 13 . 1 1 92 92 VAL N N 83 114.737 114.737 118.088 -3.351 18220 6668 1 13 . 1 1 92 92 VAL HA H 83 3.980 3.980 3.518 0.462 18220 6669 1 13 . 1 1 92 92 VAL C C 83 173.634 173.634 177.834 -4.200 18220 6670 1 13 . 1 1 92 92 VAL CA C 83 62.400 62.400 66.346 -3.946 18220 6671 1 13 . 1 1 92 92 VAL CB C 83 31.585 31.585 31.082 0.503 18220 6672 1 13 . 1 1 92 92 VAL H H 83 7.602 7.602 7.795 -0.193 18220 6673 1 13 . 1 1 93 93 ALA N N 84 124.320 124.320 121.471 2.849 18220 6674 1 13 . 1 1 93 93 ALA HA H 84 4.150 4.150 4.097 0.053 18220 6675 1 13 . 1 1 93 93 ALA C C 84 175.746 175.746 179.698 -3.952 18220 6676 1 13 . 1 1 93 93 ALA CA C 84 53.300 53.300 55.245 -1.945 18220 6677 1 13 . 1 1 93 93 ALA CB C 84 18.241 18.241 18.069 0.172 18220 6678 1 13 . 1 1 93 93 ALA H H 84 7.891 7.891 8.209 -0.318 18220 6679 1 13 . 1 1 94 94 GLY N N 85 106.807 106.807 108.396 -1.589 18220 6680 1 13 . 1 1 94 94 GLY C C 85 171.752 171.752 175.938 -4.186 18220 6681 1 13 . 1 1 94 94 GLY CA C 85 45.249 45.249 46.873 -1.624 18220 6682 1 13 . 1 1 94 94 GLY H H 85 8.204 8.204 8.096 0.108 18220 6683 1 13 . 1 1 95 95 LEU N N 86 121.266 121.266 123.135 -1.869 18220 6684 1 13 . 1 1 95 95 LEU HA H 86 4.380 4.380 4.038 0.342 18220 6685 1 13 . 1 1 95 95 LEU C C 86 173.702 173.702 178.738 -5.036 18220 6686 1 13 . 1 1 95 95 LEU CA C 86 55.000 55.000 57.776 -2.776 18220 6687 1 13 . 1 1 95 95 LEU CB C 86 42.298 42.298 41.093 1.205 18220 6688 1 13 . 1 1 95 95 LEU H H 86 7.718 7.718 8.342 -0.624 18220 6689 1 13 . 1 1 96 96 SER N N 87 115.658 115.658 115.001 0.657 18220 6690 1 13 . 1 1 96 96 SER HA H 87 4.370 4.370 4.199 0.171 18220 6691 1 13 . 1 1 96 96 SER C C 87 172.479 172.479 176.762 -4.283 18220 6692 1 13 . 1 1 96 96 SER CA C 87 57.200 57.200 61.632 -4.432 18220 6693 1 13 . 1 1 96 96 SER CB C 87 64.174 64.174 62.884 1.290 18220 6694 1 13 . 1 1 96 96 SER H H 87 7.659 7.659 8.106 -0.447 18220 6695 1 13 . 1 1 97 97 LEU N N 88 123.720 123.720 122.652 1.068 18220 6696 1 13 . 1 1 97 97 LEU HA H 88 4.600 4.600 3.940 0.660 18220 6697 1 13 . 1 1 97 97 LEU C C 88 175.932 175.932 178.925 -2.993 18220 6698 1 13 . 1 1 97 97 LEU CA C 88 57.600 57.600 57.999 -0.399 18220 6699 1 13 . 1 1 97 97 LEU CB C 88 41.400 41.400 41.220 0.180 18220 6700 1 13 . 1 1 97 97 LEU H H 88 8.733 8.733 8.137 0.596 18220 6701 1 13 . 1 1 98 98 MET N N 89 116.684 116.684 117.984 -1.300 18220 6702 1 13 . 1 1 98 98 MET HA H 89 4.280 4.280 3.948 0.332 18220 6703 1 13 . 1 1 98 98 MET C C 89 175.789 175.789 178.688 -2.899 18220 6704 1 13 . 1 1 98 98 MET CA C 89 56.915 56.915 59.114 -2.199 18220 6705 1 13 . 1 1 98 98 MET CB C 89 31.007 31.007 32.159 -1.152 18220 6706 1 13 . 1 1 98 98 MET H H 89 8.342 8.342 8.188 0.153 18220 6707 1 13 . 1 1 99 99 MET N N 90 119.182 119.182 119.191 -0.009 18220 6708 1 13 . 1 1 99 99 MET HA H 90 4.110 4.110 3.978 0.132 18220 6709 1 13 . 1 1 99 99 MET C C 90 175.588 175.588 178.831 -3.243 18220 6710 1 13 . 1 1 99 99 MET CA C 90 57.951 57.951 59.434 -1.483 18220 6711 1 13 . 1 1 99 99 MET CB C 90 32.226 32.226 32.494 -0.268 18220 6712 1 13 . 1 1 99 99 MET H H 90 7.720 7.720 8.099 -0.379 18220 6713 1 13 . 1 1 100 100 ILE N N 91 119.077 119.077 119.287 -0.210 18220 6714 1 13 . 1 1 100 100 ILE HA H 91 4.110 4.110 3.691 0.419 18220 6715 1 13 . 1 1 100 100 ILE C C 91 174.634 174.634 178.463 -3.829 18220 6716 1 13 . 1 1 100 100 ILE CA C 91 64.100 64.100 64.655 -0.555 18220 6717 1 13 . 1 1 100 100 ILE CB C 91 37.143 37.143 36.796 0.347 18220 6718 1 13 . 1 1 100 100 ILE H H 91 7.662 7.662 8.151 -0.489 18220 6719 1 13 . 1 1 101 101 LEU N N 92 119.646 119.646 119.364 0.282 18220 6720 1 13 . 1 1 101 101 LEU HA H 92 4.530 4.530 3.966 0.564 18220 6721 1 13 . 1 1 101 101 LEU C C 92 175.430 175.430 179.500 -4.070 18220 6722 1 13 . 1 1 101 101 LEU CA C 92 57.800 57.800 58.061 -0.261 18220 6723 1 13 . 1 1 101 101 LEU CB C 92 40.758 40.758 40.772 -0.014 18220 6724 1 13 . 1 1 101 101 LEU H H 92 8.142 8.142 8.264 -0.122 18220 6725 1 13 . 1 1 102 102 ARG N N 93 116.394 116.394 117.171 -0.777 18220 6726 1 13 . 1 1 102 102 ARG HA H 93 4.140 4.140 4.084 0.056 18220 6727 1 13 . 1 1 102 102 ARG C C 93 175.961 175.961 178.402 -2.441 18220 6728 1 13 . 1 1 102 102 ARG CA C 93 59.100 59.100 58.829 0.271 18220 6729 1 13 . 1 1 102 102 ARG CB C 93 29.404 29.404 29.842 -0.438 18220 6730 1 13 . 1 1 102 102 ARG H H 93 7.893 7.893 8.462 -0.569 18220 6731 1 13 . 1 1 103 103 LEU N N 94 119.114 119.114 120.774 -1.660 18220 6732 1 13 . 1 1 103 103 LEU HA H 94 4.110 4.110 4.094 0.016 18220 6733 1 13 . 1 1 103 103 LEU C C 94 175.889 175.889 178.660 -2.771 18220 6734 1 13 . 1 1 103 103 LEU CA C 94 57.300 57.300 57.696 -0.396 18220 6735 1 13 . 1 1 103 103 LEU CB C 94 41.296 41.296 41.133 0.163 18220 6736 1 13 . 1 1 103 103 LEU H H 94 7.622 7.622 7.934 -0.312 18220 6737 1 13 . 1 1 104 104 VAL N N 95 117.704 117.704 117.661 0.043 18220 6738 1 13 . 1 1 104 104 VAL HA H 95 3.530 3.530 3.788 -0.258 18220 6739 1 13 . 1 1 104 104 VAL C C 95 175.042 175.042 178.153 -3.111 18220 6740 1 13 . 1 1 104 104 VAL CA C 95 66.419 66.419 65.528 0.891 18220 6741 1 13 . 1 1 104 104 VAL CB C 95 31.357 31.357 32.242 -0.885 18220 6742 1 13 . 1 1 104 104 VAL H H 95 8.026 8.026 7.215 0.811 18220 6743 1 13 . 1 1 105 105 LEU N N 96 117.185 117.185 121.185 -4.000 18220 6744 1 13 . 1 1 105 105 LEU HA H 96 3.980 3.980 3.928 0.052 18220 6745 1 13 . 1 1 105 105 LEU C C 96 176.579 176.579 178.824 -2.245 18220 6746 1 13 . 1 1 105 105 LEU CA C 96 56.800 56.800 58.190 -1.389 18220 6747 1 13 . 1 1 105 105 LEU CB C 96 40.951 40.951 41.118 -0.167 18220 6748 1 13 . 1 1 105 105 LEU H H 96 7.893 7.893 7.965 -0.072 18220 6749 1 13 . 1 1 106 106 LEU N N 97 118.471 118.471 119.043 -0.572 18220 6750 1 13 . 1 1 106 106 LEU HA H 97 4.180 4.180 3.866 0.314 18220 6751 1 13 . 1 1 106 106 LEU C C 97 175.802 175.802 179.141 -3.339 18220 6752 1 13 . 1 1 106 106 LEU CA C 97 56.300 56.300 57.798 -1.498 18220 6753 1 13 . 1 1 106 106 LEU CB C 97 41.592 41.592 41.921 -0.329 18220 6754 1 13 . 1 1 106 106 LEU H H 97 7.545 7.545 8.270 -0.725 18220 6755 1 13 . 1 1 107 107 LEU N N 98 118.162 118.162 118.901 -0.739 18220 6756 1 13 . 1 1 107 107 LEU HA H 98 4.230 4.230 4.146 0.084 18220 6757 1 13 . 1 1 107 107 LEU C C 98 174.174 174.174 178.014 -3.840 18220 6758 1 13 . 1 1 107 107 LEU CA C 98 56.283 56.283 56.555 -0.272 18220 6759 1 13 . 1 1 107 107 LEU CB C 98 42.362 42.362 42.668 -0.306 18220 6760 1 13 . 1 1 107 107 LEU H H 98 7.688 7.688 7.713 -0.025 18220 6761 1 14 . 1 1 11 11 ASP N N 2 120.536 120.536 122.099 -1.563 18220 6762 1 14 . 1 1 11 11 ASP CA C 2 55.918 55.918 55.044 0.874 18220 6763 1 14 . 1 1 11 11 ASP CB C 2 37.959 37.959 41.717 -3.758 18220 6764 1 14 . 1 1 11 11 ASP H H 2 7.863 7.863 8.307 -0.444 18220 6765 1 14 . 1 1 12 12 LEU N N 3 121.414 121.414 123.498 -2.084 18220 6766 1 14 . 1 1 12 12 LEU C C 3 176.162 176.162 175.667 0.495 18220 6767 1 14 . 1 1 12 12 LEU CA C 3 57.600 57.600 54.933 2.667 18220 6768 1 14 . 1 1 12 12 LEU CB C 3 41.657 41.657 42.491 -0.834 18220 6769 1 14 . 1 1 12 12 LEU H H 3 8.285 8.285 8.279 0.006 18220 6770 1 14 . 1 1 13 13 ILE N N 4 118.854 118.854 119.211 -0.357 18220 6771 1 14 . 1 1 13 13 ILE HA H 4 3.740 3.740 4.294 -0.554 18220 6772 1 14 . 1 1 13 13 ILE C C 4 175.228 175.228 176.380 -1.152 18220 6773 1 14 . 1 1 13 13 ILE CA C 4 64.500 64.500 61.305 3.195 18220 6774 1 14 . 1 1 13 13 ILE CB C 4 37.102 37.102 38.642 -1.540 18220 6775 1 14 . 1 1 13 13 ILE H H 4 8.031 8.031 7.937 0.094 18220 6776 1 14 . 1 1 14 14 GLY N N 5 107.478 107.478 110.131 -2.653 18220 6777 1 14 . 1 1 14 14 GLY C C 5 174.424 174.424 176.187 -1.763 18220 6778 1 14 . 1 1 14 14 GLY CA C 5 47.059 47.059 45.218 1.841 18220 6779 1 14 . 1 1 14 14 GLY H H 5 8.148 8.148 8.083 0.065 18220 6780 1 14 . 1 1 15 15 PHE N N 6 122.774 122.774 123.738 -0.964 18220 6781 1 14 . 1 1 15 15 PHE HA H 6 4.480 4.480 4.361 0.119 18220 6782 1 14 . 1 1 15 15 PHE C C 6 175.113 175.113 177.085 -1.972 18220 6783 1 14 . 1 1 15 15 PHE CA C 6 60.017 60.017 59.101 0.916 18220 6784 1 14 . 1 1 15 15 PHE CB C 6 38.774 38.774 38.490 0.283 18220 6785 1 14 . 1 1 15 15 PHE H H 6 8.194 8.194 8.441 -0.247 18220 6786 1 14 . 1 1 16 16 GLY N N 7 107.938 107.938 108.279 -0.341 18220 6787 1 14 . 1 1 16 16 GLY C C 7 171.838 171.838 175.909 -4.071 18220 6788 1 14 . 1 1 16 16 GLY CA C 7 47.100 47.100 47.102 -0.003 18220 6789 1 14 . 1 1 16 16 GLY H H 7 8.697 8.697 7.010 1.687 18220 6790 1 14 . 1 1 17 17 TYR N N 8 121.785 121.785 123.027 -1.242 18220 6791 1 14 . 1 1 17 17 TYR HA H 8 4.150 4.150 4.069 0.081 18220 6792 1 14 . 1 1 17 17 TYR C C 8 174.180 174.180 177.564 -3.384 18220 6793 1 14 . 1 1 17 17 TYR CA C 8 61.300 61.300 61.216 0.084 18220 6794 1 14 . 1 1 17 17 TYR CB C 8 37.959 37.959 38.269 -0.310 18220 6795 1 14 . 1 1 17 17 TYR H H 8 8.710 8.710 8.205 0.505 18220 6796 1 14 . 1 1 18 18 ALA N N 9 120.233 120.233 120.430 -0.197 18220 6797 1 14 . 1 1 18 18 ALA HA H 9 3.950 3.950 3.970 -0.020 18220 6798 1 14 . 1 1 18 18 ALA C C 9 178.059 178.059 178.861 -0.802 18220 6799 1 14 . 1 1 18 18 ALA CA C 9 54.872 54.872 55.175 -0.303 18220 6800 1 14 . 1 1 18 18 ALA CB C 9 17.562 17.562 17.817 -0.255 18220 6801 1 14 . 1 1 18 18 ALA H H 9 7.843 7.843 8.261 -0.418 18220 6802 1 14 . 1 1 19 19 ALA N N 10 121.797 121.797 121.597 0.200 18220 6803 1 14 . 1 1 19 19 ALA HA H 10 3.950 3.950 4.251 -0.301 18220 6804 1 14 . 1 1 19 19 ALA C C 10 176.191 176.191 179.685 -3.494 18220 6805 1 14 . 1 1 19 19 ALA CA C 10 54.600 54.600 54.635 -0.035 18220 6806 1 14 . 1 1 19 19 ALA CB C 10 17.562 17.562 18.287 -0.725 18220 6807 1 14 . 1 1 19 19 ALA H H 10 8.212 8.212 7.827 0.385 18220 6808 1 14 . 1 1 20 20 LEU N N 11 119.442 119.442 120.862 -1.420 18220 6809 1 14 . 1 1 20 20 LEU HA H 11 3.937 3.937 4.097 -0.160 18220 6810 1 14 . 1 1 20 20 LEU C C 11 176.694 176.694 179.176 -2.482 18220 6811 1 14 . 1 1 20 20 LEU CA C 11 57.800 57.800 57.987 -0.187 18220 6812 1 14 . 1 1 20 20 LEU CB C 11 41.222 41.222 41.036 0.186 18220 6813 1 14 . 1 1 20 20 LEU H H 11 8.065 8.065 7.963 0.102 18220 6814 1 14 . 1 1 21 21 VAL N N 12 118.323 118.323 118.714 -0.391 18220 6815 1 14 . 1 1 21 21 VAL HA H 12 3.640 3.640 3.557 0.083 18220 6816 1 14 . 1 1 21 21 VAL C C 12 176.536 176.536 178.333 -1.797 18220 6817 1 14 . 1 1 21 21 VAL CA C 12 65.400 65.400 66.808 -1.408 18220 6818 1 14 . 1 1 21 21 VAL CB C 12 31.135 31.135 30.837 0.298 18220 6819 1 14 . 1 1 21 21 VAL H H 12 8.051 8.051 8.203 -0.152 18220 6820 1 14 . 1 1 22 22 THR N N 13 118.298 118.298 116.378 1.920 18220 6821 1 14 . 1 1 22 22 THR HA H 13 4.660 4.660 3.946 0.714 18220 6822 1 14 . 1 1 22 22 THR C C 13 173.734 173.734 176.475 -2.741 18220 6823 1 14 . 1 1 22 22 THR CA C 13 66.300 66.300 67.366 -1.066 18220 6824 1 14 . 1 1 22 22 THR CB C 13 67.775 67.775 68.864 -1.089 18220 6825 1 14 . 1 1 22 22 THR H H 13 7.944 7.944 8.008 -0.064 18220 6826 1 14 . 1 1 23 23 PHE N N 14 121.328 121.328 121.789 -0.461 18220 6827 1 14 . 1 1 23 23 PHE HA H 14 4.340 4.340 4.088 0.252 18220 6828 1 14 . 1 1 23 23 PHE C C 14 174.783 174.783 177.698 -2.915 18220 6829 1 14 . 1 1 23 23 PHE CA C 14 60.500 60.500 60.997 -0.497 18220 6830 1 14 . 1 1 23 23 PHE CB C 14 38.626 38.626 38.775 -0.149 18220 6831 1 14 . 1 1 23 23 PHE H H 14 8.567 8.567 8.364 0.203 18220 6832 1 14 . 1 1 24 24 GLY N N 15 106.871 106.871 106.925 -0.054 18220 6833 1 14 . 1 1 24 24 GLY C C 15 172.858 172.858 175.782 -2.924 18220 6834 1 14 . 1 1 24 24 GLY CA C 15 46.900 46.900 47.027 -0.127 18220 6835 1 14 . 1 1 24 24 GLY H H 15 8.475 8.475 8.453 0.022 18220 6836 1 14 . 1 1 25 25 SER N N 16 116.214 116.214 117.902 -1.688 18220 6837 1 14 . 1 1 25 25 SER HA H 16 4.280 4.280 4.047 0.233 18220 6838 1 14 . 1 1 25 25 SER CA C 16 60.300 60.300 61.590 -1.290 18220 6839 1 14 . 1 1 25 25 SER CB C 16 62.879 62.879 63.157 -0.278 18220 6840 1 14 . 1 1 25 25 SER H H 16 7.963 7.963 8.107 -0.144 18220 6841 1 14 . 1 1 26 26 ILE N N 17 121.024 121.024 120.455 0.569 18220 6842 1 14 . 1 1 26 26 ILE HA H 17 3.946 3.946 3.818 0.128 18220 6843 1 14 . 1 1 26 26 ILE C C 17 173.935 173.935 178.534 -4.599 18220 6844 1 14 . 1 1 26 26 ILE CA C 17 63.100 63.100 64.233 -1.133 18220 6845 1 14 . 1 1 26 26 ILE CB C 17 38.107 38.107 36.988 1.119 18220 6846 1 14 . 1 1 26 26 ILE H H 17 7.676 7.676 8.491 -0.815 18220 6847 1 14 . 1 1 27 27 PHE N N 18 117.142 117.142 120.842 -3.700 18220 6848 1 14 . 1 1 27 27 PHE HA H 18 4.430 4.430 4.152 0.278 18220 6849 1 14 . 1 1 27 27 PHE C C 18 173.504 173.504 177.002 -3.498 18220 6850 1 14 . 1 1 27 27 PHE CA C 18 58.500 58.500 60.569 -2.070 18220 6851 1 14 . 1 1 27 27 PHE CB C 18 38.774 38.774 38.602 0.172 18220 6852 1 14 . 1 1 27 27 PHE H H 18 7.703 7.703 7.970 -0.267 18220 6853 1 14 . 1 1 28 28 GLY N N 19 107.303 107.303 105.835 1.468 18220 6854 1 14 . 1 1 28 28 GLY C C 19 171.593 171.593 174.702 -3.109 18220 6855 1 14 . 1 1 28 28 GLY CA C 19 45.600 45.600 45.158 0.442 18220 6856 1 14 . 1 1 28 28 GLY H H 19 7.722 7.722 7.561 0.161 18220 6857 1 14 . 1 1 29 29 TYR N N 20 119.862 119.862 118.877 0.985 18220 6858 1 14 . 1 1 29 29 TYR HA H 20 4.392 4.392 4.013 0.379 18220 6859 1 14 . 1 1 29 29 TYR C C 20 173.174 173.174 174.483 -1.309 18220 6860 1 14 . 1 1 29 29 TYR CA C 20 58.500 58.500 59.367 -0.867 18220 6861 1 14 . 1 1 29 29 TYR CB C 20 38.404 38.404 36.437 1.967 18220 6862 1 14 . 1 1 29 29 TYR H H 20 7.880 7.880 8.084 -0.204 18220 6863 1 14 . 1 1 30 30 LYS N N 21 122.335 122.335 116.473 5.862 18220 6864 1 14 . 1 1 30 30 LYS HA H 21 4.390 4.390 4.368 0.022 18220 6865 1 14 . 1 1 30 30 LYS C C 21 173.547 173.547 174.928 -1.381 18220 6866 1 14 . 1 1 30 30 LYS CA C 21 55.800 55.800 55.717 0.083 18220 6867 1 14 . 1 1 30 30 LYS CB C 21 32.396 32.396 34.409 -2.013 18220 6868 1 14 . 1 1 30 30 LYS H H 21 7.934 7.934 7.583 0.351 18220 6869 1 14 . 1 1 31 31 ARG N N 22 120.612 120.612 119.970 0.642 18220 6870 1 14 . 1 1 31 31 ARG C C 22 173.547 173.547 175.434 -1.887 18220 6871 1 14 . 1 1 31 31 ARG CA C 22 55.834 55.834 56.676 -0.842 18220 6872 1 14 . 1 1 31 31 ARG CB C 22 30.101 30.101 28.439 1.662 18220 6873 1 14 . 1 1 31 31 ARG H H 22 7.905 7.905 8.813 -0.908 18220 6874 1 14 . 1 1 32 32 ARG N N 23 121.748 121.748 115.906 5.842 18220 6875 1 14 . 1 1 32 32 ARG HA H 23 4.310 4.310 3.959 0.351 18220 6876 1 14 . 1 1 32 32 ARG C C 23 173.863 173.863 175.414 -1.551 18220 6877 1 14 . 1 1 32 32 ARG CA C 23 55.800 55.800 57.259 -1.459 18220 6878 1 14 . 1 1 32 32 ARG CB C 23 30.245 30.245 29.996 0.249 18220 6879 1 14 . 1 1 32 32 ARG H H 23 8.175 8.175 8.115 0.060 18220 6880 1 14 . 1 1 33 33 GLY N N 24 109.528 109.528 105.912 3.616 18220 6881 1 14 . 1 1 33 33 GLY C C 24 171.752 171.752 174.994 -3.242 18220 6882 1 14 . 1 1 33 33 GLY CA C 24 44.900 44.900 45.144 -0.244 18220 6883 1 14 . 1 1 33 33 GLY H H 24 8.264 8.264 8.758 -0.494 18220 6884 1 14 . 1 1 34 34 GLY N N 25 108.563 108.563 112.001 -3.438 18220 6885 1 14 . 1 1 34 34 GLY C C 25 171.701 171.701 175.220 -3.519 18220 6886 1 14 . 1 1 34 34 GLY CA C 25 44.600 44.600 45.648 -1.048 18220 6887 1 14 . 1 1 34 34 GLY H H 25 8.208 8.208 8.670 -0.462 18220 6888 1 14 . 1 1 35 35 VAL N N 26 121.164 121.164 120.807 0.357 18220 6889 1 14 . 1 1 35 35 VAL HA H 26 4.010 4.010 4.074 -0.064 18220 6890 1 14 . 1 1 35 35 VAL C C 26 175.888 175.888 175.627 0.261 18220 6891 1 14 . 1 1 35 35 VAL CA C 26 63.900 63.900 60.995 2.905 18220 6892 1 14 . 1 1 35 35 VAL CB C 26 30.690 30.690 30.807 -0.117 18220 6893 1 14 . 1 1 35 35 VAL H H 26 8.485 8.485 7.702 0.783 18220 6894 1 14 . 1 1 36 36 PRO C C 27 177.660 177.660 177.034 0.626 18220 6895 1 14 . 1 1 36 36 PRO CA C 27 61.847 61.847 65.131 -3.284 18220 6896 1 14 . 1 1 37 37 SER N N 28 116.023 116.023 109.600 6.423 18220 6897 1 14 . 1 1 37 37 SER HA H 28 4.280 4.280 4.586 -0.306 18220 6898 1 14 . 1 1 37 37 SER CA C 28 61.100 61.100 58.233 2.867 18220 6899 1 14 . 1 1 37 37 SER H H 28 7.948 7.948 7.839 0.109 18220 6900 1 14 . 1 1 38 38 LEU N N 29 124.029 124.029 123.656 0.373 18220 6901 1 14 . 1 1 38 38 LEU HA H 29 4.170 4.170 3.940 0.230 18220 6902 1 14 . 1 1 38 38 LEU C C 29 176.132 176.132 178.294 -2.162 18220 6903 1 14 . 1 1 38 38 LEU CA C 29 57.500 57.500 58.317 -0.817 18220 6904 1 14 . 1 1 38 38 LEU CB C 29 42.038 42.038 41.839 0.199 18220 6905 1 14 . 1 1 38 38 LEU H H 29 8.201 8.201 8.110 0.091 18220 6906 1 14 . 1 1 39 39 ILE N N 30 117.098 117.098 117.543 -0.445 18220 6907 1 14 . 1 1 39 39 ILE HA H 30 4.370 4.370 3.622 0.748 18220 6908 1 14 . 1 1 39 39 ILE C C 30 176.478 176.478 177.696 -1.218 18220 6909 1 14 . 1 1 39 39 ILE CA C 30 63.079 63.079 64.742 -1.663 18220 6910 1 14 . 1 1 39 39 ILE CB C 30 36.973 36.973 37.225 -0.252 18220 6911 1 14 . 1 1 39 39 ILE H H 30 7.662 7.662 8.041 -0.379 18220 6912 1 14 . 1 1 40 40 ALA N N 31 122.447 122.447 121.757 0.690 18220 6913 1 14 . 1 1 40 40 ALA HA H 31 4.034 4.034 3.964 0.070 18220 6914 1 14 . 1 1 40 40 ALA C C 31 177.067 177.067 179.781 -2.714 18220 6915 1 14 . 1 1 40 40 ALA CA C 31 55.962 55.962 55.240 0.722 18220 6916 1 14 . 1 1 40 40 ALA CB C 31 17.856 17.856 17.736 0.120 18220 6917 1 14 . 1 1 40 40 ALA H H 31 8.096 8.096 7.875 0.221 18220 6918 1 14 . 1 1 41 41 GLY N N 32 104.056 104.056 106.589 -2.533 18220 6919 1 14 . 1 1 41 41 GLY C C 32 174.251 174.251 176.275 -2.024 18220 6920 1 14 . 1 1 41 41 GLY CA C 32 46.500 46.500 46.597 -0.097 18220 6921 1 14 . 1 1 41 41 GLY H H 32 8.123 8.123 8.089 0.034 18220 6922 1 14 . 1 1 42 42 LEU N N 33 123.250 123.250 123.895 -0.645 18220 6923 1 14 . 1 1 42 42 LEU HA H 33 3.857 3.857 4.025 -0.168 18220 6924 1 14 . 1 1 42 42 LEU C C 33 176.033 176.033 178.222 -2.189 18220 6925 1 14 . 1 1 42 42 LEU CA C 33 56.668 56.668 58.334 -1.665 18220 6926 1 14 . 1 1 42 42 LEU CB C 33 41.721 41.721 42.279 -0.558 18220 6927 1 14 . 1 1 42 42 LEU H H 33 7.914 7.914 8.006 -0.092 18220 6928 1 14 . 1 1 43 43 PHE N N 34 119.757 119.757 118.664 1.093 18220 6929 1 14 . 1 1 43 43 PHE HA H 34 4.200 4.200 4.129 0.071 18220 6930 1 14 . 1 1 43 43 PHE C C 34 174.374 174.374 178.508 -4.134 18220 6931 1 14 . 1 1 43 43 PHE CA C 34 59.876 59.876 61.653 -1.777 18220 6932 1 14 . 1 1 43 43 PHE CB C 34 38.834 38.834 38.490 0.344 18220 6933 1 14 . 1 1 43 43 PHE H H 34 8.287 8.287 8.595 -0.308 18220 6934 1 14 . 1 1 44 44 VAL N N 35 117.791 117.791 116.367 1.424 18220 6935 1 14 . 1 1 44 44 VAL HA H 35 3.610 3.610 3.792 -0.182 18220 6936 1 14 . 1 1 44 44 VAL C C 35 176.205 176.205 178.073 -1.868 18220 6937 1 14 . 1 1 44 44 VAL CA C 35 64.559 64.559 65.513 -0.954 18220 6938 1 14 . 1 1 44 44 VAL CB C 35 31.432 31.432 30.435 0.997 18220 6939 1 14 . 1 1 44 44 VAL H H 35 8.235 8.235 8.302 -0.067 18220 6940 1 14 . 1 1 45 45 GLY N N 36 108.551 108.551 109.308 -0.757 18220 6941 1 14 . 1 1 45 45 GLY C C 36 173.749 173.749 175.920 -2.171 18220 6942 1 14 . 1 1 45 45 GLY CA C 36 46.083 46.083 47.439 -1.356 18220 6943 1 14 . 1 1 45 45 GLY H H 36 8.178 8.178 8.207 -0.029 18220 6944 1 14 . 1 1 46 46 CYS N N 37 121.173 121.173 121.006 0.167 18220 6945 1 14 . 1 1 46 46 CYS HA H 37 4.180 4.180 4.112 0.068 18220 6946 1 14 . 1 1 46 46 CYS C C 37 173.710 173.710 177.136 -3.426 18220 6947 1 14 . 1 1 46 46 CYS CA C 37 63.000 63.000 61.198 1.802 18220 6948 1 14 . 1 1 46 46 CYS CB C 37 60.283 60.283 26.029 34.254 18220 6949 1 14 . 1 1 46 46 CYS H H 37 8.253 8.253 8.150 0.103 18220 6950 1 14 . 1 1 47 47 LEU N N 38 120.283 120.283 122.713 -2.430 18220 6951 1 14 . 1 1 47 47 LEU HA H 38 4.060 4.060 3.801 0.259 18220 6952 1 14 . 1 1 47 47 LEU C C 38 176.679 176.679 178.724 -2.045 18220 6953 1 14 . 1 1 47 47 LEU CA C 38 56.027 56.027 57.899 -1.872 18220 6954 1 14 . 1 1 47 47 LEU CB C 38 41.464 41.464 41.749 -0.285 18220 6955 1 14 . 1 1 47 47 LEU H H 38 7.965 7.965 7.991 -0.026 18220 6956 1 14 . 1 1 48 48 ALA N N 39 122.249 122.249 119.735 2.514 18220 6957 1 14 . 1 1 48 48 ALA HA H 39 4.142 4.142 3.999 0.143 18220 6958 1 14 . 1 1 48 48 ALA C C 39 177.915 177.915 180.032 -2.117 18220 6959 1 14 . 1 1 48 48 ALA CA C 39 53.717 53.717 55.153 -1.436 18220 6960 1 14 . 1 1 48 48 ALA CB C 39 17.985 17.985 18.064 -0.079 18220 6961 1 14 . 1 1 48 48 ALA H H 39 8.066 8.066 8.317 -0.251 18220 6962 1 14 . 1 1 49 49 GLY N N 40 107.377 107.377 107.230 0.147 18220 6963 1 14 . 1 1 49 49 GLY C C 40 172.527 172.527 175.384 -2.857 18220 6964 1 14 . 1 1 49 49 GLY CA C 40 45.450 45.450 47.017 -1.567 18220 6965 1 14 . 1 1 49 49 GLY H H 40 8.172 8.172 8.623 -0.451 18220 6966 1 14 . 1 1 50 50 TYR N N 41 122.409 122.409 124.178 -1.769 18220 6967 1 14 . 1 1 50 50 TYR HA H 41 3.799 3.799 3.973 -0.174 18220 6968 1 14 . 1 1 50 50 TYR C C 41 174.208 174.208 178.588 -4.380 18220 6969 1 14 . 1 1 50 50 TYR CA C 41 59.245 59.245 61.768 -2.523 18220 6970 1 14 . 1 1 50 50 TYR CB C 41 37.936 37.936 38.227 -0.291 18220 6971 1 14 . 1 1 50 50 TYR H H 41 7.800 7.800 8.166 -0.366 18220 6972 1 14 . 1 1 51 51 GLY N N 42 106.935 106.935 106.074 0.861 18220 6973 1 14 . 1 1 51 51 GLY C C 42 172.642 172.642 175.598 -2.956 18220 6974 1 14 . 1 1 51 51 GLY CA C 42 46.265 46.265 47.227 -0.962 18220 6975 1 14 . 1 1 51 51 GLY H H 42 8.199 8.199 8.340 -0.141 18220 6976 1 14 . 1 1 52 52 ALA N N 43 123.018 123.018 125.304 -2.286 18220 6977 1 14 . 1 1 52 52 ALA HA H 43 4.150 4.150 4.041 0.109 18220 6978 1 14 . 1 1 52 52 ALA C C 43 176.398 176.398 179.482 -3.084 18220 6979 1 14 . 1 1 52 52 ALA CA C 43 52.883 52.883 54.779 -1.896 18220 6980 1 14 . 1 1 52 52 ALA CB C 43 18.241 18.241 18.304 -0.063 18220 6981 1 14 . 1 1 52 52 ALA H H 43 7.758 7.758 8.318 -0.560 18220 6982 1 14 . 1 1 53 53 TYR N N 44 119.664 119.664 119.201 0.463 18220 6983 1 14 . 1 1 53 53 TYR HA H 44 4.318 4.318 4.464 -0.146 18220 6984 1 14 . 1 1 53 53 TYR C C 44 174.180 174.180 177.011 -2.831 18220 6985 1 14 . 1 1 53 53 TYR CA C 44 58.593 58.593 60.380 -1.786 18220 6986 1 14 . 1 1 53 53 TYR CB C 44 38.192 38.192 38.618 -0.426 18220 6987 1 14 . 1 1 53 53 TYR H H 44 7.920 7.920 7.991 -0.071 18220 6988 1 14 . 1 1 54 54 ARG N N 45 119.516 119.516 118.973 0.543 18220 6989 1 14 . 1 1 54 54 ARG HA H 45 3.930 3.930 3.927 0.003 18220 6990 1 14 . 1 1 54 54 ARG C C 45 174.423 174.423 178.865 -4.442 18220 6991 1 14 . 1 1 54 54 ARG CA C 45 56.027 56.027 57.259 -1.232 18220 6992 1 14 . 1 1 54 54 ARG CB C 45 30.173 30.173 30.349 -0.176 18220 6993 1 14 . 1 1 54 54 ARG H H 45 7.956 7.956 8.111 -0.155 18220 6994 1 14 . 1 1 55 55 VAL N N 46 116.437 116.437 118.434 -1.997 18220 6995 1 14 . 1 1 55 55 VAL HA H 46 4.060 4.060 3.904 0.156 18220 6996 1 14 . 1 1 55 55 VAL C C 46 173.806 173.806 175.547 -1.741 18220 6997 1 14 . 1 1 55 55 VAL CA C 46 62.300 62.300 64.011 -1.711 18220 6998 1 14 . 1 1 55 55 VAL CB C 46 31.521 31.521 32.156 -0.635 18220 6999 1 14 . 1 1 55 55 VAL H H 46 7.489 7.489 8.432 -0.943 18220 7000 1 14 . 1 1 56 56 SER N N 47 117.185 117.185 110.938 6.247 18220 7001 1 14 . 1 1 56 56 SER HA H 47 4.401 4.401 4.397 0.004 18220 7002 1 14 . 1 1 56 56 SER C C 47 172.074 172.074 171.889 0.185 18220 7003 1 14 . 1 1 56 56 SER CA C 47 58.133 58.133 57.388 0.745 18220 7004 1 14 . 1 1 56 56 SER CB C 47 63.468 63.468 64.521 -1.053 18220 7005 1 14 . 1 1 56 56 SER H H 47 7.728 7.728 7.486 0.242 18220 7006 1 14 . 1 1 57 57 ASN N N 48 121.049 121.049 117.578 3.471 18220 7007 1 14 . 1 1 57 57 ASN HA H 48 4.590 4.590 4.325 0.265 18220 7008 1 14 . 1 1 57 57 ASN CA C 48 53.600 53.600 54.532 -0.933 18220 7009 1 14 . 1 1 57 57 ASN CB C 48 38.641 38.641 38.770 -0.129 18220 7010 1 14 . 1 1 57 57 ASN H H 48 8.228 8.228 8.511 -0.283 18220 7011 1 14 . 1 1 58 58 ASP N N 49 120.276 120.276 120.259 0.017 18220 7012 1 14 . 1 1 58 58 ASP HA H 49 4.530 4.530 4.572 -0.042 18220 7013 1 14 . 1 1 58 58 ASP CA C 49 54.202 54.202 55.215 -1.013 18220 7014 1 14 . 1 1 58 58 ASP CB C 49 40.374 40.374 43.025 -2.651 18220 7015 1 14 . 1 1 58 58 ASP H H 49 8.192 8.192 8.386 -0.194 18220 7016 1 14 . 1 1 59 59 LYS N N 50 120.660 120.660 119.480 1.180 18220 7017 1 14 . 1 1 59 59 LYS HA H 50 4.200 4.200 4.576 -0.376 18220 7018 1 14 . 1 1 59 59 LYS C C 50 173.474 173.474 174.743 -1.269 18220 7019 1 14 . 1 1 59 59 LYS CA C 50 56.300 56.300 55.497 0.803 18220 7020 1 14 . 1 1 59 59 LYS CB C 50 32.034 32.034 35.005 -2.971 18220 7021 1 14 . 1 1 59 59 LYS H H 50 8.003 8.003 7.690 0.313 18220 7022 1 14 . 1 1 60 60 ARG N N 51 121.278 121.278 120.762 0.516 18220 7023 1 14 . 1 1 60 60 ARG HA H 51 4.200 4.200 4.130 0.070 18220 7024 1 14 . 1 1 60 60 ARG C C 51 173.303 173.303 173.539 -0.236 18220 7025 1 14 . 1 1 60 60 ARG CA C 51 56.283 56.283 56.784 -0.501 18220 7026 1 14 . 1 1 60 60 ARG CB C 51 30.238 30.238 30.352 -0.114 18220 7027 1 14 . 1 1 60 60 ARG H H 51 8.091 8.091 8.642 -0.551 18220 7028 1 14 . 1 1 61 61 ASP N N 52 121.185 121.185 120.537 0.648 18220 7029 1 14 . 1 1 61 61 ASP HA H 52 4.615 4.615 4.675 -0.060 18220 7030 1 14 . 1 1 61 61 ASP C C 52 173.777 173.777 174.593 -0.816 18220 7031 1 14 . 1 1 61 61 ASP CA C 52 53.979 53.979 53.771 0.208 18220 7032 1 14 . 1 1 61 61 ASP CB C 52 40.245 40.245 40.759 -0.514 18220 7033 1 14 . 1 1 61 61 ASP H H 52 8.261 8.261 8.135 0.126 18220 7034 1 14 . 1 1 62 62 VAL N N 53 121.902 121.902 122.631 -0.729 18220 7035 1 14 . 1 1 62 62 VAL HA H 53 3.950 3.950 4.255 -0.305 18220 7036 1 14 . 1 1 62 62 VAL C C 53 173.279 173.279 176.620 -3.341 18220 7037 1 14 . 1 1 62 62 VAL CA C 53 63.176 63.176 63.428 -0.252 18220 7038 1 14 . 1 1 62 62 VAL CB C 53 32.099 32.099 33.327 -1.228 18220 7039 1 14 . 1 1 62 62 VAL H H 53 7.997 7.997 8.064 -0.067 18220 7040 1 14 . 1 1 63 63 LYS N N 54 123.522 123.522 121.705 1.817 18220 7041 1 14 . 1 1 63 63 LYS HA H 54 4.260 4.260 4.076 0.184 18220 7042 1 14 . 1 1 63 63 LYS C C 54 174.481 174.481 178.507 -4.026 18220 7043 1 14 . 1 1 63 63 LYS CA C 54 56.347 56.347 59.313 -2.966 18220 7044 1 14 . 1 1 63 63 LYS CB C 54 32.099 32.099 31.311 0.787 18220 7045 1 14 . 1 1 63 63 LYS H H 54 8.054 8.054 8.301 -0.247 18220 7046 1 14 . 1 1 64 64 VAL N N 55 120.647 120.647 119.433 1.214 18220 7047 1 14 . 1 1 64 64 VAL HA H 55 3.947 3.947 3.755 0.193 18220 7048 1 14 . 1 1 64 64 VAL C C 55 174.955 174.955 178.010 -3.055 18220 7049 1 14 . 1 1 64 64 VAL CA C 55 64.600 64.600 65.520 -0.920 18220 7050 1 14 . 1 1 64 64 VAL CB C 55 31.877 31.877 31.169 0.708 18220 7051 1 14 . 1 1 64 64 VAL H H 55 8.225 8.225 8.063 0.162 18220 7052 1 14 . 1 1 65 65 SER N N 56 117.785 117.785 115.351 2.434 18220 7053 1 14 . 1 1 65 65 SER HA H 56 4.390 4.390 4.169 0.221 18220 7054 1 14 . 1 1 65 65 SER C C 56 172.300 172.300 176.809 -4.509 18220 7055 1 14 . 1 1 65 65 SER CA C 56 60.000 60.000 62.402 -2.402 18220 7056 1 14 . 1 1 65 65 SER CB C 56 62.879 62.879 62.801 0.078 18220 7057 1 14 . 1 1 65 65 SER H H 56 8.260 8.260 8.092 0.168 18220 7058 1 14 . 1 1 66 66 LEU N N 57 123.318 123.318 122.593 0.725 18220 7059 1 14 . 1 1 66 66 LEU HA H 57 4.090 4.090 4.061 0.029 18220 7060 1 14 . 1 1 66 66 LEU C C 57 175.932 175.932 178.572 -2.640 18220 7061 1 14 . 1 1 66 66 LEU CA C 57 57.502 57.502 58.448 -0.946 18220 7062 1 14 . 1 1 66 66 LEU CB C 57 41.721 41.721 41.930 -0.209 18220 7063 1 14 . 1 1 66 66 LEU H H 57 8.091 8.091 7.826 0.265 18220 7064 1 14 . 1 1 67 67 PHE N N 58 118.020 118.020 118.892 -0.872 18220 7065 1 14 . 1 1 67 67 PHE HA H 58 4.330 4.330 4.334 -0.004 18220 7066 1 14 . 1 1 67 67 PHE C C 58 174.912 174.912 177.815 -2.903 18220 7067 1 14 . 1 1 67 67 PHE CA C 58 60.600 60.600 61.727 -1.127 18220 7068 1 14 . 1 1 67 67 PHE CB C 58 38.552 38.552 38.995 -0.443 18220 7069 1 14 . 1 1 67 67 PHE H H 58 8.066 8.066 8.462 -0.396 18220 7070 1 14 . 1 1 68 68 THR N N 59 115.324 115.324 117.356 -2.032 18220 7071 1 14 . 1 1 68 68 THR HA H 59 4.310 4.310 4.083 0.227 18220 7072 1 14 . 1 1 68 68 THR C C 59 173.380 173.380 176.260 -2.880 18220 7073 1 14 . 1 1 68 68 THR CA C 59 66.313 66.313 67.700 -1.387 18220 7074 1 14 . 1 1 68 68 THR CB C 59 67.700 67.700 68.865 -1.165 18220 7075 1 14 . 1 1 68 68 THR H H 59 8.287 8.287 8.330 -0.043 18220 7076 1 14 . 1 1 69 69 ALA N N 60 123.621 123.621 124.883 -1.262 18220 7077 1 14 . 1 1 69 69 ALA HA H 60 4.280 4.280 4.176 0.104 18220 7078 1 14 . 1 1 69 69 ALA C C 60 176.978 176.978 179.403 -2.425 18220 7079 1 14 . 1 1 69 69 ALA CA C 60 55.100 55.100 55.297 -0.197 18220 7080 1 14 . 1 1 69 69 ALA CB C 60 17.728 17.728 18.153 -0.425 18220 7081 1 14 . 1 1 69 69 ALA H H 60 7.983 7.983 8.414 -0.431 18220 7082 1 14 . 1 1 70 70 PHE N N 61 118.520 118.520 119.843 -1.323 18220 7083 1 14 . 1 1 70 70 PHE HA H 61 4.260 4.260 4.130 0.130 18220 7084 1 14 . 1 1 70 70 PHE C C 61 175.369 175.369 177.261 -1.892 18220 7085 1 14 . 1 1 70 70 PHE CA C 61 60.179 60.179 61.983 -1.804 18220 7086 1 14 . 1 1 70 70 PHE CB C 61 38.706 38.706 39.084 -0.378 18220 7087 1 14 . 1 1 70 70 PHE H H 61 8.007 8.007 8.455 -0.448 18220 7088 1 14 . 1 1 71 71 PHE N N 62 122.314 122.314 120.380 1.934 18220 7089 1 14 . 1 1 71 71 PHE HA H 62 4.000 4.000 4.247 -0.247 18220 7090 1 14 . 1 1 71 71 PHE C C 62 174.697 174.697 178.082 -3.385 18220 7091 1 14 . 1 1 71 71 PHE CA C 62 60.517 60.517 61.759 -1.242 18220 7092 1 14 . 1 1 71 71 PHE CB C 62 38.770 38.770 39.598 -0.828 18220 7093 1 14 . 1 1 71 71 PHE H H 62 8.546 8.546 8.543 0.003 18220 7094 1 14 . 1 1 72 72 LEU N N 63 119.399 119.399 120.285 -0.886 18220 7095 1 14 . 1 1 72 72 LEU HA H 63 3.870 3.870 3.968 -0.098 18220 7096 1 14 . 1 1 72 72 LEU C C 63 175.774 175.774 179.010 -3.236 18220 7097 1 14 . 1 1 72 72 LEU CA C 63 56.925 56.925 57.849 -0.924 18220 7098 1 14 . 1 1 72 72 LEU CB C 63 41.207 41.207 40.892 0.315 18220 7099 1 14 . 1 1 72 72 LEU H H 63 8.396 8.396 8.655 -0.259 18220 7100 1 14 . 1 1 73 73 ALA N N 64 120.221 120.221 121.028 -0.807 18220 7101 1 14 . 1 1 73 73 ALA HA H 64 3.960 3.960 3.844 0.116 18220 7102 1 14 . 1 1 73 73 ALA C C 64 177.267 177.267 179.337 -2.070 18220 7103 1 14 . 1 1 73 73 ALA CA C 64 54.600 54.600 55.392 -0.792 18220 7104 1 14 . 1 1 73 73 ALA CB C 64 17.784 17.784 18.332 -0.548 18220 7105 1 14 . 1 1 73 73 ALA H H 64 8.025 8.025 8.690 -0.665 18220 7106 1 14 . 1 1 74 74 THR N N 65 113.648 113.648 112.693 0.955 18220 7107 1 14 . 1 1 74 74 THR HA H 65 3.980 3.980 3.830 0.150 18220 7108 1 14 . 1 1 74 74 THR CA C 65 66.291 66.291 65.410 0.881 18220 7109 1 14 . 1 1 74 74 THR CB C 65 67.914 67.914 68.242 -0.328 18220 7110 1 14 . 1 1 74 74 THR H H 65 7.717 7.717 8.211 -0.494 18220 7111 1 14 . 1 1 75 75 ILE N N 66 120.291 120.291 120.087 0.204 18220 7112 1 14 . 1 1 75 75 ILE HA H 66 3.740 3.740 3.847 -0.107 18220 7113 1 14 . 1 1 75 75 ILE C C 66 174.951 174.951 177.053 -2.102 18220 7114 1 14 . 1 1 75 75 ILE CA C 66 64.880 64.880 62.633 2.247 18220 7115 1 14 . 1 1 75 75 ILE CB C 66 37.166 37.166 37.505 -0.339 18220 7116 1 14 . 1 1 75 75 ILE H H 66 7.738 7.738 7.933 -0.195 18220 7117 1 14 . 1 1 76 76 MET N N 67 117.618 117.618 118.031 -0.413 18220 7118 1 14 . 1 1 76 76 MET HA H 67 4.220 4.220 4.400 -0.180 18220 7119 1 14 . 1 1 76 76 MET C C 67 175.142 175.142 176.403 -1.261 18220 7120 1 14 . 1 1 76 76 MET CA C 67 56.723 56.723 57.400 -0.677 18220 7121 1 14 . 1 1 76 76 MET CB C 67 31.951 31.951 34.945 -2.994 18220 7122 1 14 . 1 1 76 76 MET H H 67 7.823 7.823 8.016 -0.193 18220 7123 1 14 . 1 1 77 77 GLY N N 68 107.110 107.110 108.069 -0.959 18220 7124 1 14 . 1 1 77 77 GLY C C 68 172.260 172.260 172.904 -0.644 18220 7125 1 14 . 1 1 77 77 GLY CA C 68 45.800 45.800 44.784 1.016 18220 7126 1 14 . 1 1 77 77 GLY H H 68 7.937 7.937 8.550 -0.613 18220 7127 1 14 . 1 1 78 78 VAL N N 69 120.431 120.431 120.821 -0.390 18220 7128 1 14 . 1 1 78 78 VAL HA H 69 4.220 4.220 4.342 -0.122 18220 7129 1 14 . 1 1 78 78 VAL CA C 69 63.900 63.900 60.639 3.261 18220 7130 1 14 . 1 1 78 78 VAL CB C 69 31.506 31.506 34.274 -2.768 18220 7131 1 14 . 1 1 78 78 VAL H H 69 7.697 7.697 7.546 0.151 18220 7132 1 14 . 1 1 79 79 ARG N N 70 121.420 121.420 125.508 -4.088 18220 7133 1 14 . 1 1 79 79 ARG HA H 70 3.810 3.810 4.225 -0.415 18220 7134 1 14 . 1 1 79 79 ARG CA C 70 56.400 56.400 58.758 -2.358 18220 7135 1 14 . 1 1 79 79 ARG CB C 70 30.097 30.097 30.752 -0.655 18220 7136 1 14 . 1 1 79 79 ARG H H 70 7.889 7.889 8.682 -0.793 18220 7137 1 14 . 1 1 80 80 PHE N N 71 119.949 119.949 114.932 5.017 18220 7138 1 14 . 1 1 80 80 PHE HA H 71 4.510 4.510 4.506 0.004 18220 7139 1 14 . 1 1 80 80 PHE CA C 71 58.600 58.600 58.881 -0.281 18220 7140 1 14 . 1 1 80 80 PHE CB C 71 39.145 39.145 40.244 -1.099 18220 7141 1 14 . 1 1 80 80 PHE H H 71 8.101 8.101 7.818 0.283 18220 7142 1 14 . 1 1 81 81 LYS N N 72 122.193 122.193 117.417 4.776 18220 7143 1 14 . 1 1 81 81 LYS CA C 72 56.800 56.800 55.919 0.881 18220 7144 1 14 . 1 1 81 81 LYS CB C 72 32.322 32.322 34.440 -2.118 18220 7145 1 14 . 1 1 81 81 LYS H H 72 8.090 8.090 7.809 0.281 18220 7146 1 14 . 1 1 82 82 ARG N N 73 119.650 119.650 117.709 1.941 18220 7147 1 14 . 1 1 82 82 ARG CA C 73 56.089 56.089 56.939 -0.850 18220 7148 1 14 . 1 1 82 82 ARG CB C 73 30.171 30.171 30.896 -0.725 18220 7149 1 14 . 1 1 82 82 ARG H H 73 8.052 8.052 8.698 -0.646 18220 7150 1 14 . 1 1 83 83 SER N N 74 115.734 115.734 115.278 0.456 18220 7151 1 14 . 1 1 83 83 SER CA C 74 58.355 58.355 58.830 -0.475 18220 7152 1 14 . 1 1 83 83 SER CB C 74 63.404 63.404 64.278 -0.874 18220 7153 1 14 . 1 1 83 83 SER H H 74 7.912 7.912 8.368 -0.456 18220 7154 1 14 . 1 1 84 84 LYS N N 75 122.370 122.370 119.321 3.049 18220 7155 1 14 . 1 1 84 84 LYS CA C 75 56.135 56.135 55.745 0.390 18220 7156 1 14 . 1 1 84 84 LYS CB C 75 32.175 32.175 33.182 -1.007 18220 7157 1 14 . 1 1 84 84 LYS H H 75 8.067 8.067 8.121 -0.054 18220 7158 1 14 . 1 1 86 86 ILE N N 77 119.592 119.592 116.708 2.884 18220 7159 1 14 . 1 1 86 86 ILE HA H 77 3.810 3.810 3.504 0.306 18220 7160 1 14 . 1 1 86 86 ILE CA C 77 64.900 64.900 63.032 1.868 18220 7161 1 14 . 1 1 86 86 ILE CB C 77 39.145 39.145 37.004 2.141 18220 7162 1 14 . 1 1 86 86 ILE H H 77 7.837 7.837 8.252 -0.415 18220 7163 1 14 . 1 1 87 87 MET N N 78 121.645 121.645 117.087 4.558 18220 7164 1 14 . 1 1 87 87 MET CA C 78 52.982 52.982 56.122 -3.140 18220 7165 1 14 . 1 1 87 87 MET CB C 78 32.173 32.173 31.516 0.657 18220 7166 1 14 . 1 1 87 87 MET H H 78 7.950 7.950 8.130 -0.180 18220 7167 1 14 . 1 1 88 88 PRO HA H 79 4.140 4.140 4.397 -0.257 18220 7168 1 14 . 1 1 88 88 PRO C C 79 173.921 173.921 177.424 -3.503 18220 7169 1 14 . 1 1 88 88 PRO CA C 79 62.800 62.800 64.977 -2.176 18220 7170 1 14 . 1 1 88 88 PRO CB C 79 31.136 31.136 31.559 -0.423 18220 7171 1 14 . 1 1 89 89 ALA N N 80 124.431 124.431 121.067 3.364 18220 7172 1 14 . 1 1 89 89 ALA HA H 80 4.400 4.400 3.951 0.449 18220 7173 1 14 . 1 1 89 89 ALA C C 80 176.234 176.234 180.019 -3.785 18220 7174 1 14 . 1 1 89 89 ALA CA C 80 53.300 53.300 55.145 -1.845 18220 7175 1 14 . 1 1 89 89 ALA CB C 80 18.498 18.498 18.164 0.334 18220 7176 1 14 . 1 1 89 89 ALA H H 80 8.320 8.320 8.161 0.159 18220 7177 1 14 . 1 1 90 90 GLY N N 81 106.834 106.834 107.147 -0.313 18220 7178 1 14 . 1 1 90 90 GLY C C 81 172.398 172.398 176.182 -3.784 18220 7179 1 14 . 1 1 90 90 GLY CA C 81 45.600 45.600 47.146 -1.546 18220 7180 1 14 . 1 1 90 90 GLY H H 81 8.458 8.458 7.818 0.640 18220 7181 1 14 . 1 1 91 91 LEU N N 82 121.043 121.043 122.533 -1.490 18220 7182 1 14 . 1 1 91 91 LEU HA H 82 4.200 4.200 4.005 0.195 18220 7183 1 14 . 1 1 91 91 LEU C C 82 174.783 174.783 179.071 -4.288 18220 7184 1 14 . 1 1 91 91 LEU CA C 82 56.300 56.300 57.815 -1.515 18220 7185 1 14 . 1 1 91 91 LEU CB C 82 42.106 42.106 41.212 0.894 18220 7186 1 14 . 1 1 91 91 LEU H H 82 7.687 7.687 7.904 -0.217 18220 7187 1 14 . 1 1 92 92 VAL N N 83 114.737 114.737 118.874 -4.137 18220 7188 1 14 . 1 1 92 92 VAL HA H 83 3.980 3.980 3.544 0.436 18220 7189 1 14 . 1 1 92 92 VAL C C 83 173.634 173.634 178.126 -4.492 18220 7190 1 14 . 1 1 92 92 VAL CA C 83 62.400 62.400 65.798 -3.398 18220 7191 1 14 . 1 1 92 92 VAL CB C 83 31.585 31.585 30.206 1.379 18220 7192 1 14 . 1 1 92 92 VAL H H 83 7.602 7.602 7.800 -0.198 18220 7193 1 14 . 1 1 93 93 ALA N N 84 124.320 124.320 121.504 2.816 18220 7194 1 14 . 1 1 93 93 ALA HA H 84 4.150 4.150 4.085 0.065 18220 7195 1 14 . 1 1 93 93 ALA C C 84 175.746 175.746 179.897 -4.151 18220 7196 1 14 . 1 1 93 93 ALA CA C 84 53.300 53.300 55.215 -1.915 18220 7197 1 14 . 1 1 93 93 ALA CB C 84 18.241 18.241 18.144 0.097 18220 7198 1 14 . 1 1 93 93 ALA H H 84 7.891 7.891 8.139 -0.248 18220 7199 1 14 . 1 1 94 94 GLY N N 85 106.807 106.807 107.850 -1.043 18220 7200 1 14 . 1 1 94 94 GLY C C 85 171.752 171.752 176.034 -4.282 18220 7201 1 14 . 1 1 94 94 GLY CA C 85 45.249 45.249 46.765 -1.516 18220 7202 1 14 . 1 1 94 94 GLY H H 85 8.204 8.204 8.069 0.135 18220 7203 1 14 . 1 1 95 95 LEU N N 86 121.266 121.266 122.510 -1.244 18220 7204 1 14 . 1 1 95 95 LEU HA H 86 4.380 4.380 3.911 0.469 18220 7205 1 14 . 1 1 95 95 LEU C C 86 173.702 173.702 179.548 -5.846 18220 7206 1 14 . 1 1 95 95 LEU CA C 86 55.000 55.000 58.073 -3.073 18220 7207 1 14 . 1 1 95 95 LEU CB C 86 42.298 42.298 41.513 0.785 18220 7208 1 14 . 1 1 95 95 LEU H H 86 7.718 7.718 8.612 -0.894 18220 7209 1 14 . 1 1 96 96 SER N N 87 115.658 115.658 115.042 0.616 18220 7210 1 14 . 1 1 96 96 SER HA H 87 4.370 4.370 4.235 0.135 18220 7211 1 14 . 1 1 96 96 SER C C 87 172.479 172.479 176.485 -4.006 18220 7212 1 14 . 1 1 96 96 SER CA C 87 57.200 57.200 61.711 -4.511 18220 7213 1 14 . 1 1 96 96 SER CB C 87 64.174 64.174 63.060 1.114 18220 7214 1 14 . 1 1 96 96 SER H H 87 7.659 7.659 8.164 -0.505 18220 7215 1 14 . 1 1 97 97 LEU N N 88 123.720 123.720 122.634 1.086 18220 7216 1 14 . 1 1 97 97 LEU HA H 88 4.600 4.600 3.970 0.630 18220 7217 1 14 . 1 1 97 97 LEU C C 88 175.932 175.932 178.982 -3.050 18220 7218 1 14 . 1 1 97 97 LEU CA C 88 57.600 57.600 58.002 -0.402 18220 7219 1 14 . 1 1 97 97 LEU CB C 88 41.400 41.400 41.424 -0.024 18220 7220 1 14 . 1 1 97 97 LEU H H 88 8.733 8.733 8.078 0.655 18220 7221 1 14 . 1 1 98 98 MET N N 89 116.684 116.684 118.103 -1.419 18220 7222 1 14 . 1 1 98 98 MET HA H 89 4.280 4.280 3.985 0.295 18220 7223 1 14 . 1 1 98 98 MET C C 89 175.789 175.789 178.427 -2.638 18220 7224 1 14 . 1 1 98 98 MET CA C 89 56.915 56.915 59.209 -2.294 18220 7225 1 14 . 1 1 98 98 MET CB C 89 31.007 31.007 32.639 -1.632 18220 7226 1 14 . 1 1 98 98 MET H H 89 8.342 8.342 8.326 0.016 18220 7227 1 14 . 1 1 99 99 MET N N 90 119.182 119.182 119.018 0.164 18220 7228 1 14 . 1 1 99 99 MET HA H 90 4.110 4.110 3.970 0.140 18220 7229 1 14 . 1 1 99 99 MET C C 90 175.588 175.588 178.702 -3.114 18220 7230 1 14 . 1 1 99 99 MET CA C 90 57.951 57.951 59.784 -1.833 18220 7231 1 14 . 1 1 99 99 MET CB C 90 32.226 32.226 32.406 -0.180 18220 7232 1 14 . 1 1 99 99 MET H H 90 7.720 7.720 8.037 -0.317 18220 7233 1 14 . 1 1 100 100 ILE N N 91 119.077 119.077 119.916 -0.839 18220 7234 1 14 . 1 1 100 100 ILE HA H 91 4.110 4.110 3.699 0.411 18220 7235 1 14 . 1 1 100 100 ILE C C 91 174.634 174.634 177.488 -2.854 18220 7236 1 14 . 1 1 100 100 ILE CA C 91 64.100 64.100 64.473 -0.373 18220 7237 1 14 . 1 1 100 100 ILE CB C 91 37.143 37.143 37.873 -0.730 18220 7238 1 14 . 1 1 100 100 ILE H H 91 7.662 7.662 7.976 -0.314 18220 7239 1 14 . 1 1 101 101 LEU N N 92 119.646 119.646 119.916 -0.270 18220 7240 1 14 . 1 1 101 101 LEU HA H 92 4.530 4.530 3.906 0.624 18220 7241 1 14 . 1 1 101 101 LEU C C 92 175.430 175.430 178.771 -3.341 18220 7242 1 14 . 1 1 101 101 LEU CA C 92 57.800 57.800 58.251 -0.451 18220 7243 1 14 . 1 1 101 101 LEU CB C 92 40.758 40.758 41.663 -0.905 18220 7244 1 14 . 1 1 101 101 LEU H H 92 8.142 8.142 7.982 0.160 18220 7245 1 14 . 1 1 102 102 ARG N N 93 116.394 116.394 118.557 -2.163 18220 7246 1 14 . 1 1 102 102 ARG HA H 93 4.140 4.140 4.045 0.095 18220 7247 1 14 . 1 1 102 102 ARG C C 93 175.961 175.961 178.743 -2.782 18220 7248 1 14 . 1 1 102 102 ARG CA C 93 59.100 59.100 59.220 -0.120 18220 7249 1 14 . 1 1 102 102 ARG CB C 93 29.404 29.404 29.910 -0.506 18220 7250 1 14 . 1 1 102 102 ARG H H 93 7.893 7.893 8.023 -0.130 18220 7251 1 14 . 1 1 103 103 LEU N N 94 119.114 119.114 120.826 -1.712 18220 7252 1 14 . 1 1 103 103 LEU HA H 94 4.110 4.110 4.025 0.085 18220 7253 1 14 . 1 1 103 103 LEU C C 94 175.889 175.889 177.977 -2.088 18220 7254 1 14 . 1 1 103 103 LEU CA C 94 57.300 57.300 58.477 -1.177 18220 7255 1 14 . 1 1 103 103 LEU CB C 94 41.296 41.296 42.036 -0.740 18220 7256 1 14 . 1 1 103 103 LEU H H 94 7.622 7.622 8.054 -0.432 18220 7257 1 14 . 1 1 104 104 VAL N N 95 117.704 117.704 117.248 0.456 18220 7258 1 14 . 1 1 104 104 VAL HA H 95 3.530 3.530 3.782 -0.252 18220 7259 1 14 . 1 1 104 104 VAL C C 95 175.042 175.042 177.458 -2.416 18220 7260 1 14 . 1 1 104 104 VAL CA C 95 66.419 66.419 65.230 1.190 18220 7261 1 14 . 1 1 104 104 VAL CB C 95 31.357 31.357 32.548 -1.191 18220 7262 1 14 . 1 1 104 104 VAL H H 95 8.026 8.026 7.408 0.618 18220 7263 1 14 . 1 1 105 105 LEU N N 96 117.185 117.185 122.136 -4.951 18220 7264 1 14 . 1 1 105 105 LEU HA H 96 3.980 3.980 3.871 0.109 18220 7265 1 14 . 1 1 105 105 LEU C C 96 176.579 176.579 178.987 -2.408 18220 7266 1 14 . 1 1 105 105 LEU CA C 96 56.800 56.800 58.207 -1.407 18220 7267 1 14 . 1 1 105 105 LEU CB C 96 40.951 40.951 41.839 -0.888 18220 7268 1 14 . 1 1 105 105 LEU H H 96 7.893 7.893 7.908 -0.015 18220 7269 1 14 . 1 1 106 106 LEU N N 97 118.471 118.471 118.114 0.357 18220 7270 1 14 . 1 1 106 106 LEU HA H 97 4.180 4.180 3.900 0.280 18220 7271 1 14 . 1 1 106 106 LEU C C 97 175.802 175.802 177.940 -2.138 18220 7272 1 14 . 1 1 106 106 LEU CA C 97 56.300 56.300 57.404 -1.104 18220 7273 1 14 . 1 1 106 106 LEU CB C 97 41.592 41.592 41.944 -0.352 18220 7274 1 14 . 1 1 106 106 LEU H H 97 7.545 7.545 7.933 -0.388 18220 7275 1 14 . 1 1 107 107 LEU N N 98 118.162 118.162 118.589 -0.427 18220 7276 1 14 . 1 1 107 107 LEU HA H 98 4.230 4.230 4.113 0.117 18220 7277 1 14 . 1 1 107 107 LEU C C 98 174.174 174.174 177.807 -3.633 18220 7278 1 14 . 1 1 107 107 LEU CA C 98 56.283 56.283 57.162 -0.879 18220 7279 1 14 . 1 1 107 107 LEU CB C 98 42.362 42.362 42.469 -0.107 18220 7280 1 14 . 1 1 107 107 LEU H H 98 7.688 7.688 8.004 -0.316 18220 7281 1 15 . 1 1 11 11 ASP N N 2 120.536 120.536 121.580 -1.044 18220 7282 1 15 . 1 1 11 11 ASP CA C 2 55.918 55.918 54.825 1.093 18220 7283 1 15 . 1 1 11 11 ASP CB C 2 37.959 37.959 41.352 -3.393 18220 7284 1 15 . 1 1 11 11 ASP H H 2 7.863 7.863 8.387 -0.524 18220 7285 1 15 . 1 1 12 12 LEU N N 3 121.414 121.414 118.092 3.322 18220 7286 1 15 . 1 1 12 12 LEU C C 3 176.162 176.162 175.984 0.178 18220 7287 1 15 . 1 1 12 12 LEU CA C 3 57.600 57.600 54.846 2.754 18220 7288 1 15 . 1 1 12 12 LEU CB C 3 41.657 41.657 41.729 -0.072 18220 7289 1 15 . 1 1 12 12 LEU H H 3 8.285 8.285 8.256 0.029 18220 7290 1 15 . 1 1 13 13 ILE N N 4 118.854 118.854 121.499 -2.645 18220 7291 1 15 . 1 1 13 13 ILE HA H 4 3.740 3.740 4.516 -0.776 18220 7292 1 15 . 1 1 13 13 ILE C C 4 175.228 175.228 175.988 -0.760 18220 7293 1 15 . 1 1 13 13 ILE CA C 4 64.500 64.500 60.239 4.261 18220 7294 1 15 . 1 1 13 13 ILE CB C 4 37.102 37.102 41.358 -4.256 18220 7295 1 15 . 1 1 13 13 ILE H H 4 8.031 8.031 7.727 0.304 18220 7296 1 15 . 1 1 14 14 GLY N N 5 107.478 107.478 113.113 -5.635 18220 7297 1 15 . 1 1 14 14 GLY C C 5 174.424 174.424 175.141 -0.717 18220 7298 1 15 . 1 1 14 14 GLY CA C 5 47.059 47.059 45.587 1.472 18220 7299 1 15 . 1 1 14 14 GLY H H 5 8.148 8.148 8.413 -0.265 18220 7300 1 15 . 1 1 15 15 PHE N N 6 122.774 122.774 127.459 -4.685 18220 7301 1 15 . 1 1 15 15 PHE HA H 6 4.480 4.480 4.322 0.158 18220 7302 1 15 . 1 1 15 15 PHE C C 6 175.113 175.113 177.054 -1.941 18220 7303 1 15 . 1 1 15 15 PHE CA C 6 60.017 60.017 60.422 -0.405 18220 7304 1 15 . 1 1 15 15 PHE CB C 6 38.774 38.774 39.542 -0.768 18220 7305 1 15 . 1 1 15 15 PHE H H 6 8.194 8.194 8.657 -0.463 18220 7306 1 15 . 1 1 16 16 GLY N N 7 107.938 107.938 107.485 0.453 18220 7307 1 15 . 1 1 16 16 GLY C C 7 171.838 171.838 175.748 -3.910 18220 7308 1 15 . 1 1 16 16 GLY CA C 7 47.100 47.100 47.482 -0.382 18220 7309 1 15 . 1 1 16 16 GLY H H 7 8.697 8.697 8.569 0.128 18220 7310 1 15 . 1 1 17 17 TYR N N 8 121.785 121.785 122.329 -0.544 18220 7311 1 15 . 1 1 17 17 TYR HA H 8 4.150 4.150 4.081 0.069 18220 7312 1 15 . 1 1 17 17 TYR C C 8 174.180 174.180 177.989 -3.809 18220 7313 1 15 . 1 1 17 17 TYR CA C 8 61.300 61.300 60.723 0.577 18220 7314 1 15 . 1 1 17 17 TYR CB C 8 37.959 37.959 37.900 0.059 18220 7315 1 15 . 1 1 17 17 TYR H H 8 8.710 8.710 8.217 0.493 18220 7316 1 15 . 1 1 18 18 ALA N N 9 120.233 120.233 120.568 -0.335 18220 7317 1 15 . 1 1 18 18 ALA HA H 9 3.950 3.950 3.847 0.103 18220 7318 1 15 . 1 1 18 18 ALA C C 9 178.059 178.059 178.797 -0.738 18220 7319 1 15 . 1 1 18 18 ALA CA C 9 54.872 54.872 55.027 -0.155 18220 7320 1 15 . 1 1 18 18 ALA CB C 9 17.562 17.562 17.649 -0.087 18220 7321 1 15 . 1 1 18 18 ALA H H 9 7.843 7.843 8.137 -0.294 18220 7322 1 15 . 1 1 19 19 ALA N N 10 121.797 121.797 120.967 0.830 18220 7323 1 15 . 1 1 19 19 ALA HA H 10 3.950 3.950 4.064 -0.114 18220 7324 1 15 . 1 1 19 19 ALA C C 10 176.191 176.191 179.580 -3.389 18220 7325 1 15 . 1 1 19 19 ALA CA C 10 54.600 54.600 54.375 0.225 18220 7326 1 15 . 1 1 19 19 ALA CB C 10 17.562 17.562 17.979 -0.417 18220 7327 1 15 . 1 1 19 19 ALA H H 10 8.212 8.212 7.470 0.742 18220 7328 1 15 . 1 1 20 20 LEU N N 11 119.442 119.442 120.492 -1.050 18220 7329 1 15 . 1 1 20 20 LEU HA H 11 3.937 3.937 3.901 0.036 18220 7330 1 15 . 1 1 20 20 LEU C C 11 176.694 176.694 178.673 -1.979 18220 7331 1 15 . 1 1 20 20 LEU CA C 11 57.800 57.800 58.235 -0.435 18220 7332 1 15 . 1 1 20 20 LEU CB C 11 41.222 41.222 42.158 -0.936 18220 7333 1 15 . 1 1 20 20 LEU H H 11 8.065 8.065 7.824 0.241 18220 7334 1 15 . 1 1 21 21 VAL N N 12 118.323 118.323 119.006 -0.683 18220 7335 1 15 . 1 1 21 21 VAL HA H 12 3.640 3.640 3.517 0.123 18220 7336 1 15 . 1 1 21 21 VAL C C 12 176.536 176.536 177.819 -1.283 18220 7337 1 15 . 1 1 21 21 VAL CA C 12 65.400 65.400 67.568 -2.168 18220 7338 1 15 . 1 1 21 21 VAL CB C 12 31.135 31.135 31.537 -0.402 18220 7339 1 15 . 1 1 21 21 VAL H H 12 8.051 8.051 8.236 -0.185 18220 7340 1 15 . 1 1 22 22 THR N N 13 118.298 118.298 116.948 1.350 18220 7341 1 15 . 1 1 22 22 THR HA H 13 4.660 4.660 3.801 0.859 18220 7342 1 15 . 1 1 22 22 THR C C 13 173.734 173.734 176.760 -3.026 18220 7343 1 15 . 1 1 22 22 THR CA C 13 66.300 66.300 67.248 -0.948 18220 7344 1 15 . 1 1 22 22 THR CB C 13 67.775 67.775 68.751 -0.976 18220 7345 1 15 . 1 1 22 22 THR H H 13 7.944 7.944 7.992 -0.048 18220 7346 1 15 . 1 1 23 23 PHE N N 14 121.328 121.328 120.631 0.697 18220 7347 1 15 . 1 1 23 23 PHE HA H 14 4.340 4.340 4.091 0.249 18220 7348 1 15 . 1 1 23 23 PHE C C 14 174.783 174.783 178.025 -3.242 18220 7349 1 15 . 1 1 23 23 PHE CA C 14 60.500 60.500 62.157 -1.657 18220 7350 1 15 . 1 1 23 23 PHE CB C 14 38.626 38.626 38.651 -0.025 18220 7351 1 15 . 1 1 23 23 PHE H H 14 8.567 8.567 8.396 0.171 18220 7352 1 15 . 1 1 24 24 GLY N N 15 106.871 106.871 106.527 0.344 18220 7353 1 15 . 1 1 24 24 GLY C C 15 172.858 172.858 176.195 -3.337 18220 7354 1 15 . 1 1 24 24 GLY CA C 15 46.900 46.900 47.156 -0.256 18220 7355 1 15 . 1 1 24 24 GLY H H 15 8.475 8.475 8.317 0.158 18220 7356 1 15 . 1 1 25 25 SER N N 16 116.214 116.214 117.937 -1.723 18220 7357 1 15 . 1 1 25 25 SER HA H 16 4.280 4.280 4.052 0.228 18220 7358 1 15 . 1 1 25 25 SER CA C 16 60.300 60.300 61.821 -1.521 18220 7359 1 15 . 1 1 25 25 SER CB C 16 62.879 62.879 63.160 -0.281 18220 7360 1 15 . 1 1 25 25 SER H H 16 7.963 7.963 8.168 -0.205 18220 7361 1 15 . 1 1 26 26 ILE N N 17 121.024 121.024 120.970 0.054 18220 7362 1 15 . 1 1 26 26 ILE HA H 17 3.946 3.946 3.533 0.413 18220 7363 1 15 . 1 1 26 26 ILE C C 17 173.935 173.935 178.522 -4.587 18220 7364 1 15 . 1 1 26 26 ILE CA C 17 63.100 63.100 64.857 -1.757 18220 7365 1 15 . 1 1 26 26 ILE CB C 17 38.107 38.107 37.275 0.832 18220 7366 1 15 . 1 1 26 26 ILE H H 17 7.676 7.676 8.402 -0.726 18220 7367 1 15 . 1 1 27 27 PHE N N 18 117.142 117.142 119.537 -2.395 18220 7368 1 15 . 1 1 27 27 PHE HA H 18 4.430 4.430 4.271 0.159 18220 7369 1 15 . 1 1 27 27 PHE C C 18 173.504 173.504 177.599 -4.095 18220 7370 1 15 . 1 1 27 27 PHE CA C 18 58.500 58.500 61.199 -2.699 18220 7371 1 15 . 1 1 27 27 PHE CB C 18 38.774 38.774 38.573 0.201 18220 7372 1 15 . 1 1 27 27 PHE H H 18 7.703 7.703 8.416 -0.713 18220 7373 1 15 . 1 1 28 28 GLY N N 19 107.303 107.303 104.821 2.482 18220 7374 1 15 . 1 1 28 28 GLY C C 19 171.593 171.593 174.094 -2.501 18220 7375 1 15 . 1 1 28 28 GLY CA C 19 45.600 45.600 45.176 0.424 18220 7376 1 15 . 1 1 28 28 GLY H H 19 7.722 7.722 7.594 0.128 18220 7377 1 15 . 1 1 29 29 TYR N N 20 119.862 119.862 119.434 0.428 18220 7378 1 15 . 1 1 29 29 TYR HA H 20 4.392 4.392 4.077 0.315 18220 7379 1 15 . 1 1 29 29 TYR C C 20 173.174 173.174 174.682 -1.508 18220 7380 1 15 . 1 1 29 29 TYR CA C 20 58.500 58.500 58.792 -0.292 18220 7381 1 15 . 1 1 29 29 TYR CB C 20 38.404 38.404 37.480 0.924 18220 7382 1 15 . 1 1 29 29 TYR H H 20 7.880 7.880 7.918 -0.038 18220 7383 1 15 . 1 1 30 30 LYS N N 21 122.335 122.335 125.372 -3.037 18220 7384 1 15 . 1 1 30 30 LYS HA H 21 4.390 4.390 4.595 -0.205 18220 7385 1 15 . 1 1 30 30 LYS C C 21 173.547 173.547 176.440 -2.893 18220 7386 1 15 . 1 1 30 30 LYS CA C 21 55.800 55.800 55.645 0.155 18220 7387 1 15 . 1 1 30 30 LYS CB C 21 32.396 32.396 32.978 -0.582 18220 7388 1 15 . 1 1 30 30 LYS H H 21 7.934 7.934 8.321 -0.387 18220 7389 1 15 . 1 1 31 31 ARG N N 22 120.612 120.612 124.569 -3.957 18220 7390 1 15 . 1 1 31 31 ARG C C 22 173.547 173.547 177.510 -3.963 18220 7391 1 15 . 1 1 31 31 ARG CA C 22 55.834 55.834 56.277 -0.443 18220 7392 1 15 . 1 1 31 31 ARG CB C 22 30.101 30.101 29.973 0.128 18220 7393 1 15 . 1 1 31 31 ARG H H 22 7.905 7.905 8.804 -0.899 18220 7394 1 15 . 1 1 32 32 ARG N N 23 121.748 121.748 120.854 0.894 18220 7395 1 15 . 1 1 32 32 ARG HA H 23 4.310 4.310 4.387 -0.077 18220 7396 1 15 . 1 1 32 32 ARG C C 23 173.863 173.863 176.316 -2.453 18220 7397 1 15 . 1 1 32 32 ARG CA C 23 55.800 55.800 57.966 -2.166 18220 7398 1 15 . 1 1 32 32 ARG CB C 23 30.245 30.245 30.561 -0.316 18220 7399 1 15 . 1 1 32 32 ARG H H 23 8.175 8.175 8.741 -0.566 18220 7400 1 15 . 1 1 33 33 GLY N N 24 109.528 109.528 106.015 3.513 18220 7401 1 15 . 1 1 33 33 GLY C C 24 171.752 171.752 172.960 -1.208 18220 7402 1 15 . 1 1 33 33 GLY CA C 24 44.900 44.900 44.624 0.276 18220 7403 1 15 . 1 1 33 33 GLY H H 24 8.264 8.264 7.848 0.416 18220 7404 1 15 . 1 1 34 34 GLY N N 25 108.563 108.563 108.010 0.553 18220 7405 1 15 . 1 1 34 34 GLY C C 25 171.701 171.701 173.515 -1.814 18220 7406 1 15 . 1 1 34 34 GLY CA C 25 44.600 44.600 44.818 -0.218 18220 7407 1 15 . 1 1 34 34 GLY H H 25 8.208 8.208 7.917 0.291 18220 7408 1 15 . 1 1 35 35 VAL N N 26 121.164 121.164 120.701 0.463 18220 7409 1 15 . 1 1 35 35 VAL HA H 26 4.010 4.010 4.048 -0.038 18220 7410 1 15 . 1 1 35 35 VAL C C 26 175.888 175.888 174.812 1.076 18220 7411 1 15 . 1 1 35 35 VAL CA C 26 63.900 63.900 64.347 -0.448 18220 7412 1 15 . 1 1 35 35 VAL CB C 26 30.690 30.690 31.177 -0.487 18220 7413 1 15 . 1 1 35 35 VAL H H 26 8.485 8.485 8.637 -0.152 18220 7414 1 15 . 1 1 36 36 PRO C C 27 177.660 177.660 176.670 0.990 18220 7415 1 15 . 1 1 36 36 PRO CA C 27 61.847 61.847 62.987 -1.140 18220 7416 1 15 . 1 1 37 37 SER N N 28 116.023 116.023 113.274 2.749 18220 7417 1 15 . 1 1 37 37 SER HA H 28 4.280 4.280 4.555 -0.275 18220 7418 1 15 . 1 1 37 37 SER CA C 28 61.100 61.100 58.877 2.223 18220 7419 1 15 . 1 1 37 37 SER H H 28 7.948 7.948 8.240 -0.292 18220 7420 1 15 . 1 1 38 38 LEU N N 29 124.029 124.029 123.713 0.316 18220 7421 1 15 . 1 1 38 38 LEU HA H 29 4.170 4.170 3.973 0.197 18220 7422 1 15 . 1 1 38 38 LEU C C 29 176.132 176.132 178.588 -2.456 18220 7423 1 15 . 1 1 38 38 LEU CA C 29 57.500 57.500 58.145 -0.645 18220 7424 1 15 . 1 1 38 38 LEU CB C 29 42.038 42.038 41.484 0.554 18220 7425 1 15 . 1 1 38 38 LEU H H 29 8.201 8.201 8.167 0.034 18220 7426 1 15 . 1 1 39 39 ILE N N 30 117.098 117.098 117.805 -0.707 18220 7427 1 15 . 1 1 39 39 ILE HA H 30 4.370 4.370 3.666 0.704 18220 7428 1 15 . 1 1 39 39 ILE C C 30 176.478 176.478 177.804 -1.326 18220 7429 1 15 . 1 1 39 39 ILE CA C 30 63.079 63.079 64.547 -1.468 18220 7430 1 15 . 1 1 39 39 ILE CB C 30 36.973 36.973 37.187 -0.214 18220 7431 1 15 . 1 1 39 39 ILE H H 30 7.662 7.662 8.047 -0.385 18220 7432 1 15 . 1 1 40 40 ALA N N 31 122.447 122.447 121.915 0.532 18220 7433 1 15 . 1 1 40 40 ALA HA H 31 4.034 4.034 4.094 -0.060 18220 7434 1 15 . 1 1 40 40 ALA C C 31 177.067 177.067 179.791 -2.724 18220 7435 1 15 . 1 1 40 40 ALA CA C 31 55.962 55.962 55.262 0.700 18220 7436 1 15 . 1 1 40 40 ALA CB C 31 17.856 17.856 17.828 0.028 18220 7437 1 15 . 1 1 40 40 ALA H H 31 8.096 8.096 8.031 0.065 18220 7438 1 15 . 1 1 41 41 GLY N N 32 104.056 104.056 106.925 -2.869 18220 7439 1 15 . 1 1 41 41 GLY C C 32 174.251 174.251 176.385 -2.134 18220 7440 1 15 . 1 1 41 41 GLY CA C 32 46.500 46.500 46.842 -0.342 18220 7441 1 15 . 1 1 41 41 GLY H H 32 8.123 8.123 8.181 -0.058 18220 7442 1 15 . 1 1 42 42 LEU N N 33 123.250 123.250 123.934 -0.684 18220 7443 1 15 . 1 1 42 42 LEU HA H 33 3.857 3.857 4.241 -0.384 18220 7444 1 15 . 1 1 42 42 LEU C C 33 176.033 176.033 177.863 -1.830 18220 7445 1 15 . 1 1 42 42 LEU CA C 33 56.668 56.668 57.094 -0.426 18220 7446 1 15 . 1 1 42 42 LEU CB C 33 41.721 41.721 40.957 0.764 18220 7447 1 15 . 1 1 42 42 LEU H H 33 7.914 7.914 8.073 -0.159 18220 7448 1 15 . 1 1 43 43 PHE N N 34 119.757 119.757 120.786 -1.029 18220 7449 1 15 . 1 1 43 43 PHE HA H 34 4.200 4.200 4.160 0.040 18220 7450 1 15 . 1 1 43 43 PHE C C 34 174.374 174.374 177.681 -3.307 18220 7451 1 15 . 1 1 43 43 PHE CA C 34 59.876 59.876 62.002 -2.126 18220 7452 1 15 . 1 1 43 43 PHE CB C 34 38.834 38.834 38.910 -0.076 18220 7453 1 15 . 1 1 43 43 PHE H H 34 8.287 8.287 8.549 -0.262 18220 7454 1 15 . 1 1 44 44 VAL N N 35 117.791 117.791 118.883 -1.092 18220 7455 1 15 . 1 1 44 44 VAL HA H 35 3.610 3.610 3.518 0.092 18220 7456 1 15 . 1 1 44 44 VAL C C 35 176.205 176.205 178.025 -1.820 18220 7457 1 15 . 1 1 44 44 VAL CA C 35 64.559 64.559 65.977 -1.418 18220 7458 1 15 . 1 1 44 44 VAL CB C 35 31.432 31.432 31.302 0.130 18220 7459 1 15 . 1 1 44 44 VAL H H 35 8.235 8.235 8.430 -0.195 18220 7460 1 15 . 1 1 45 45 GLY N N 36 108.551 108.551 107.493 1.058 18220 7461 1 15 . 1 1 45 45 GLY C C 36 173.749 173.749 175.949 -2.200 18220 7462 1 15 . 1 1 45 45 GLY CA C 36 46.083 46.083 47.462 -1.379 18220 7463 1 15 . 1 1 45 45 GLY H H 36 8.178 8.178 8.122 0.056 18220 7464 1 15 . 1 1 46 46 CYS N N 37 121.173 121.173 120.993 0.180 18220 7465 1 15 . 1 1 46 46 CYS HA H 37 4.180 4.180 4.024 0.156 18220 7466 1 15 . 1 1 46 46 CYS C C 37 173.710 173.710 176.911 -3.201 18220 7467 1 15 . 1 1 46 46 CYS CA C 37 63.000 63.000 64.185 -1.185 18220 7468 1 15 . 1 1 46 46 CYS CB C 37 60.283 60.283 27.894 32.389 18220 7469 1 15 . 1 1 46 46 CYS H H 37 8.253 8.253 8.126 0.127 18220 7470 1 15 . 1 1 47 47 LEU N N 38 120.283 120.283 121.016 -0.733 18220 7471 1 15 . 1 1 47 47 LEU HA H 38 4.060 4.060 3.658 0.402 18220 7472 1 15 . 1 1 47 47 LEU C C 38 176.679 176.679 178.079 -1.400 18220 7473 1 15 . 1 1 47 47 LEU CA C 38 56.027 56.027 57.984 -1.957 18220 7474 1 15 . 1 1 47 47 LEU CB C 38 41.464 41.464 41.806 -0.342 18220 7475 1 15 . 1 1 47 47 LEU H H 38 7.965 7.965 7.883 0.082 18220 7476 1 15 . 1 1 48 48 ALA N N 39 122.249 122.249 119.452 2.797 18220 7477 1 15 . 1 1 48 48 ALA HA H 39 4.142 4.142 3.980 0.162 18220 7478 1 15 . 1 1 48 48 ALA C C 39 177.915 177.915 179.737 -1.822 18220 7479 1 15 . 1 1 48 48 ALA CA C 39 53.717 53.717 55.291 -1.574 18220 7480 1 15 . 1 1 48 48 ALA CB C 39 17.985 17.985 18.014 -0.029 18220 7481 1 15 . 1 1 48 48 ALA H H 39 8.066 8.066 8.208 -0.142 18220 7482 1 15 . 1 1 49 49 GLY N N 40 107.377 107.377 107.120 0.257 18220 7483 1 15 . 1 1 49 49 GLY C C 40 172.527 172.527 175.934 -3.407 18220 7484 1 15 . 1 1 49 49 GLY CA C 40 45.450 45.450 47.111 -1.661 18220 7485 1 15 . 1 1 49 49 GLY H H 40 8.172 8.172 8.183 -0.011 18220 7486 1 15 . 1 1 50 50 TYR N N 41 122.409 122.409 122.919 -0.510 18220 7487 1 15 . 1 1 50 50 TYR HA H 41 3.799 3.799 4.003 -0.204 18220 7488 1 15 . 1 1 50 50 TYR C C 41 174.208 174.208 178.469 -4.261 18220 7489 1 15 . 1 1 50 50 TYR CA C 41 59.245 59.245 61.194 -1.949 18220 7490 1 15 . 1 1 50 50 TYR CB C 41 37.936 37.936 38.031 -0.095 18220 7491 1 15 . 1 1 50 50 TYR H H 41 7.800 7.800 8.221 -0.421 18220 7492 1 15 . 1 1 51 51 GLY N N 42 106.935 106.935 106.127 0.808 18220 7493 1 15 . 1 1 51 51 GLY C C 42 172.642 172.642 175.954 -3.312 18220 7494 1 15 . 1 1 51 51 GLY CA C 42 46.265 46.265 46.726 -0.461 18220 7495 1 15 . 1 1 51 51 GLY H H 42 8.199 8.199 8.117 0.082 18220 7496 1 15 . 1 1 52 52 ALA N N 43 123.018 123.018 124.350 -1.332 18220 7497 1 15 . 1 1 52 52 ALA HA H 43 4.150 4.150 4.002 0.148 18220 7498 1 15 . 1 1 52 52 ALA C C 43 176.398 176.398 178.233 -1.835 18220 7499 1 15 . 1 1 52 52 ALA CA C 43 52.883 52.883 54.413 -1.530 18220 7500 1 15 . 1 1 52 52 ALA CB C 43 18.241 18.241 18.438 -0.197 18220 7501 1 15 . 1 1 52 52 ALA H H 43 7.758 7.758 8.311 -0.553 18220 7502 1 15 . 1 1 53 53 TYR N N 44 119.664 119.664 117.142 2.522 18220 7503 1 15 . 1 1 53 53 TYR HA H 44 4.318 4.318 4.289 0.029 18220 7504 1 15 . 1 1 53 53 TYR C C 44 174.180 174.180 177.044 -2.864 18220 7505 1 15 . 1 1 53 53 TYR CA C 44 58.593 58.593 61.069 -2.477 18220 7506 1 15 . 1 1 53 53 TYR CB C 44 38.192 38.192 38.984 -0.792 18220 7507 1 15 . 1 1 53 53 TYR H H 44 7.920 7.920 7.821 0.099 18220 7508 1 15 . 1 1 54 54 ARG N N 45 119.516 119.516 117.897 1.619 18220 7509 1 15 . 1 1 54 54 ARG HA H 45 3.930 3.930 4.324 -0.394 18220 7510 1 15 . 1 1 54 54 ARG C C 45 174.423 174.423 176.857 -2.434 18220 7511 1 15 . 1 1 54 54 ARG CA C 45 56.027 56.027 57.334 -1.307 18220 7512 1 15 . 1 1 54 54 ARG CB C 45 30.173 30.173 31.893 -1.720 18220 7513 1 15 . 1 1 54 54 ARG H H 45 7.956 7.956 8.205 -0.249 18220 7514 1 15 . 1 1 55 55 VAL N N 46 116.437 116.437 121.128 -4.691 18220 7515 1 15 . 1 1 55 55 VAL HA H 46 4.060 4.060 3.949 0.111 18220 7516 1 15 . 1 1 55 55 VAL C C 46 173.806 173.806 175.187 -1.381 18220 7517 1 15 . 1 1 55 55 VAL CA C 46 62.300 62.300 63.047 -0.747 18220 7518 1 15 . 1 1 55 55 VAL CB C 46 31.521 31.521 29.497 2.024 18220 7519 1 15 . 1 1 55 55 VAL H H 46 7.489 7.489 7.980 -0.491 18220 7520 1 15 . 1 1 56 56 SER N N 47 117.185 117.185 118.746 -1.561 18220 7521 1 15 . 1 1 56 56 SER HA H 47 4.401 4.401 4.177 0.224 18220 7522 1 15 . 1 1 56 56 SER C C 47 172.074 172.074 172.652 -0.578 18220 7523 1 15 . 1 1 56 56 SER CA C 47 58.133 58.133 58.663 -0.530 18220 7524 1 15 . 1 1 56 56 SER CB C 47 63.468 63.468 63.039 0.429 18220 7525 1 15 . 1 1 56 56 SER H H 47 7.728 7.728 8.155 -0.427 18220 7526 1 15 . 1 1 57 57 ASN N N 48 121.049 121.049 119.956 1.093 18220 7527 1 15 . 1 1 57 57 ASN HA H 48 4.590 4.590 4.863 -0.273 18220 7528 1 15 . 1 1 57 57 ASN CA C 48 53.600 53.600 52.337 1.263 18220 7529 1 15 . 1 1 57 57 ASN CB C 48 38.641 38.641 39.750 -1.109 18220 7530 1 15 . 1 1 57 57 ASN H H 48 8.228 8.228 8.462 -0.234 18220 7531 1 15 . 1 1 58 58 ASP N N 49 120.276 120.276 120.710 -0.434 18220 7532 1 15 . 1 1 58 58 ASP HA H 49 4.530 4.530 4.607 -0.077 18220 7533 1 15 . 1 1 58 58 ASP CA C 49 54.202 54.202 54.425 -0.223 18220 7534 1 15 . 1 1 58 58 ASP CB C 49 40.374 40.374 40.443 -0.069 18220 7535 1 15 . 1 1 58 58 ASP H H 49 8.192 8.192 8.410 -0.218 18220 7536 1 15 . 1 1 59 59 LYS N N 50 120.660 120.660 117.703 2.957 18220 7537 1 15 . 1 1 59 59 LYS HA H 50 4.200 4.200 3.903 0.297 18220 7538 1 15 . 1 1 59 59 LYS C C 50 173.474 173.474 176.668 -3.194 18220 7539 1 15 . 1 1 59 59 LYS CA C 50 56.300 56.300 58.666 -2.366 18220 7540 1 15 . 1 1 59 59 LYS CB C 50 32.034 32.034 32.023 0.011 18220 7541 1 15 . 1 1 59 59 LYS H H 50 8.003 8.003 8.370 -0.367 18220 7542 1 15 . 1 1 60 60 ARG N N 51 121.278 121.278 116.785 4.493 18220 7543 1 15 . 1 1 60 60 ARG HA H 51 4.200 4.200 4.458 -0.258 18220 7544 1 15 . 1 1 60 60 ARG C C 51 173.303 173.303 173.534 -0.231 18220 7545 1 15 . 1 1 60 60 ARG CA C 51 56.283 56.283 56.818 -0.534 18220 7546 1 15 . 1 1 60 60 ARG CB C 51 30.238 30.238 33.233 -2.995 18220 7547 1 15 . 1 1 60 60 ARG H H 51 8.091 8.091 8.422 -0.331 18220 7548 1 15 . 1 1 61 61 ASP N N 52 121.185 121.185 117.810 3.375 18220 7549 1 15 . 1 1 61 61 ASP HA H 52 4.615 4.615 4.755 -0.140 18220 7550 1 15 . 1 1 61 61 ASP C C 52 173.777 173.777 174.722 -0.945 18220 7551 1 15 . 1 1 61 61 ASP CA C 52 53.979 53.979 54.730 -0.751 18220 7552 1 15 . 1 1 61 61 ASP CB C 52 40.245 40.245 41.498 -1.252 18220 7553 1 15 . 1 1 61 61 ASP H H 52 8.261 8.261 8.077 0.184 18220 7554 1 15 . 1 1 62 62 VAL N N 53 121.902 121.902 123.231 -1.329 18220 7555 1 15 . 1 1 62 62 VAL HA H 53 3.950 3.950 4.153 -0.203 18220 7556 1 15 . 1 1 62 62 VAL C C 53 173.279 173.279 176.522 -3.243 18220 7557 1 15 . 1 1 62 62 VAL CA C 53 63.176 63.176 63.783 -0.607 18220 7558 1 15 . 1 1 62 62 VAL CB C 53 32.099 32.099 32.291 -0.192 18220 7559 1 15 . 1 1 62 62 VAL H H 53 7.997 7.997 8.485 -0.488 18220 7560 1 15 . 1 1 63 63 LYS N N 54 123.522 123.522 121.840 1.682 18220 7561 1 15 . 1 1 63 63 LYS HA H 54 4.260 4.260 4.132 0.128 18220 7562 1 15 . 1 1 63 63 LYS C C 54 174.481 174.481 178.328 -3.847 18220 7563 1 15 . 1 1 63 63 LYS CA C 54 56.347 56.347 58.770 -2.422 18220 7564 1 15 . 1 1 63 63 LYS CB C 54 32.099 32.099 32.131 -0.032 18220 7565 1 15 . 1 1 63 63 LYS H H 54 8.054 8.054 7.968 0.086 18220 7566 1 15 . 1 1 64 64 VAL N N 55 120.647 120.647 119.268 1.379 18220 7567 1 15 . 1 1 64 64 VAL HA H 55 3.947 3.947 3.586 0.361 18220 7568 1 15 . 1 1 64 64 VAL C C 55 174.955 174.955 177.648 -2.693 18220 7569 1 15 . 1 1 64 64 VAL CA C 55 64.600 64.600 66.814 -2.215 18220 7570 1 15 . 1 1 64 64 VAL CB C 55 31.877 31.877 31.663 0.214 18220 7571 1 15 . 1 1 64 64 VAL H H 55 8.225 8.225 8.315 -0.090 18220 7572 1 15 . 1 1 65 65 SER N N 56 117.785 117.785 113.693 4.092 18220 7573 1 15 . 1 1 65 65 SER HA H 56 4.390 4.390 4.168 0.222 18220 7574 1 15 . 1 1 65 65 SER C C 56 172.300 172.300 176.387 -4.087 18220 7575 1 15 . 1 1 65 65 SER CA C 56 60.000 60.000 61.901 -1.901 18220 7576 1 15 . 1 1 65 65 SER CB C 56 62.879 62.879 62.896 -0.017 18220 7577 1 15 . 1 1 65 65 SER H H 56 8.260 8.260 8.288 -0.028 18220 7578 1 15 . 1 1 66 66 LEU N N 57 123.318 123.318 122.068 1.250 18220 7579 1 15 . 1 1 66 66 LEU HA H 57 4.090 4.090 4.101 -0.011 18220 7580 1 15 . 1 1 66 66 LEU C C 57 175.932 175.932 178.150 -2.218 18220 7581 1 15 . 1 1 66 66 LEU CA C 57 57.502 57.502 57.844 -0.342 18220 7582 1 15 . 1 1 66 66 LEU CB C 57 41.721 41.721 41.956 -0.235 18220 7583 1 15 . 1 1 66 66 LEU H H 57 8.091 8.091 7.752 0.339 18220 7584 1 15 . 1 1 67 67 PHE N N 58 118.020 118.020 118.358 -0.338 18220 7585 1 15 . 1 1 67 67 PHE HA H 58 4.330 4.330 4.375 -0.045 18220 7586 1 15 . 1 1 67 67 PHE C C 58 174.912 174.912 176.958 -2.046 18220 7587 1 15 . 1 1 67 67 PHE CA C 58 60.600 60.600 61.067 -0.467 18220 7588 1 15 . 1 1 67 67 PHE CB C 58 38.552 38.552 39.055 -0.503 18220 7589 1 15 . 1 1 67 67 PHE H H 58 8.066 8.066 8.486 -0.420 18220 7590 1 15 . 1 1 68 68 THR N N 59 115.324 115.324 118.334 -3.010 18220 7591 1 15 . 1 1 68 68 THR HA H 59 4.310 4.310 3.910 0.400 18220 7592 1 15 . 1 1 68 68 THR C C 59 173.380 173.380 176.419 -3.039 18220 7593 1 15 . 1 1 68 68 THR CA C 59 66.313 66.313 66.305 0.008 18220 7594 1 15 . 1 1 68 68 THR CB C 59 67.700 67.700 68.319 -0.619 18220 7595 1 15 . 1 1 68 68 THR H H 59 8.287 8.287 8.331 -0.044 18220 7596 1 15 . 1 1 69 69 ALA N N 60 123.621 123.621 124.105 -0.484 18220 7597 1 15 . 1 1 69 69 ALA HA H 60 4.280 4.280 4.271 0.009 18220 7598 1 15 . 1 1 69 69 ALA C C 60 176.978 176.978 179.491 -2.513 18220 7599 1 15 . 1 1 69 69 ALA CA C 60 55.100 55.100 54.749 0.351 18220 7600 1 15 . 1 1 69 69 ALA CB C 60 17.728 17.728 18.146 -0.418 18220 7601 1 15 . 1 1 69 69 ALA H H 60 7.983 7.983 8.317 -0.334 18220 7602 1 15 . 1 1 70 70 PHE N N 61 118.520 118.520 120.918 -2.398 18220 7603 1 15 . 1 1 70 70 PHE HA H 61 4.260 4.260 4.144 0.116 18220 7604 1 15 . 1 1 70 70 PHE C C 61 175.369 175.369 176.963 -1.594 18220 7605 1 15 . 1 1 70 70 PHE CA C 61 60.179 60.179 61.703 -1.524 18220 7606 1 15 . 1 1 70 70 PHE CB C 61 38.706 38.706 39.298 -0.592 18220 7607 1 15 . 1 1 70 70 PHE H H 61 8.007 8.007 8.346 -0.339 18220 7608 1 15 . 1 1 71 71 PHE N N 62 122.314 122.314 119.377 2.937 18220 7609 1 15 . 1 1 71 71 PHE HA H 62 4.000 4.000 4.229 -0.229 18220 7610 1 15 . 1 1 71 71 PHE C C 62 174.697 174.697 177.370 -2.673 18220 7611 1 15 . 1 1 71 71 PHE CA C 62 60.517 60.517 61.873 -1.356 18220 7612 1 15 . 1 1 71 71 PHE CB C 62 38.770 38.770 38.919 -0.148 18220 7613 1 15 . 1 1 71 71 PHE H H 62 8.546 8.546 8.124 0.422 18220 7614 1 15 . 1 1 72 72 LEU N N 63 119.399 119.399 120.380 -0.981 18220 7615 1 15 . 1 1 72 72 LEU HA H 63 3.870 3.870 3.793 0.077 18220 7616 1 15 . 1 1 72 72 LEU C C 63 175.774 175.774 178.436 -2.662 18220 7617 1 15 . 1 1 72 72 LEU CA C 63 56.925 56.925 58.551 -1.626 18220 7618 1 15 . 1 1 72 72 LEU CB C 63 41.207 41.207 41.775 -0.568 18220 7619 1 15 . 1 1 72 72 LEU H H 63 8.396 8.396 8.099 0.297 18220 7620 1 15 . 1 1 73 73 ALA N N 64 120.221 120.221 120.358 -0.137 18220 7621 1 15 . 1 1 73 73 ALA HA H 64 3.960 3.960 3.771 0.189 18220 7622 1 15 . 1 1 73 73 ALA C C 64 177.267 177.267 179.306 -2.039 18220 7623 1 15 . 1 1 73 73 ALA CA C 64 54.600 54.600 55.281 -0.681 18220 7624 1 15 . 1 1 73 73 ALA CB C 64 17.784 17.784 17.890 -0.106 18220 7625 1 15 . 1 1 73 73 ALA H H 64 8.025 8.025 8.265 -0.240 18220 7626 1 15 . 1 1 74 74 THR N N 65 113.648 113.648 114.752 -1.104 18220 7627 1 15 . 1 1 74 74 THR HA H 65 3.980 3.980 3.770 0.210 18220 7628 1 15 . 1 1 74 74 THR CA C 65 66.291 66.291 66.432 -0.141 18220 7629 1 15 . 1 1 74 74 THR CB C 65 67.914 67.914 68.478 -0.564 18220 7630 1 15 . 1 1 74 74 THR H H 65 7.717 7.717 7.731 -0.014 18220 7631 1 15 . 1 1 75 75 ILE N N 66 120.291 120.291 119.722 0.569 18220 7632 1 15 . 1 1 75 75 ILE HA H 66 3.740 3.740 3.677 0.063 18220 7633 1 15 . 1 1 75 75 ILE C C 66 174.951 174.951 176.781 -1.830 18220 7634 1 15 . 1 1 75 75 ILE CA C 66 64.880 64.880 63.476 1.404 18220 7635 1 15 . 1 1 75 75 ILE CB C 66 37.166 37.166 38.095 -0.929 18220 7636 1 15 . 1 1 75 75 ILE H H 66 7.738 7.738 7.864 -0.126 18220 7637 1 15 . 1 1 76 76 MET N N 67 117.618 117.618 117.969 -0.351 18220 7638 1 15 . 1 1 76 76 MET HA H 67 4.220 4.220 4.442 -0.222 18220 7639 1 15 . 1 1 76 76 MET C C 67 175.142 175.142 176.613 -1.471 18220 7640 1 15 . 1 1 76 76 MET CA C 67 56.723 56.723 56.978 -0.255 18220 7641 1 15 . 1 1 76 76 MET CB C 67 31.951 31.951 34.754 -2.803 18220 7642 1 15 . 1 1 76 76 MET H H 67 7.823 7.823 7.781 0.042 18220 7643 1 15 . 1 1 77 77 GLY N N 68 107.110 107.110 106.219 0.891 18220 7644 1 15 . 1 1 77 77 GLY C C 68 172.260 172.260 172.298 -0.038 18220 7645 1 15 . 1 1 77 77 GLY CA C 68 45.800 45.800 45.454 0.346 18220 7646 1 15 . 1 1 77 77 GLY H H 68 7.937 7.937 8.284 -0.347 18220 7647 1 15 . 1 1 78 78 VAL N N 69 120.431 120.431 119.889 0.542 18220 7648 1 15 . 1 1 78 78 VAL HA H 69 4.220 4.220 4.392 -0.172 18220 7649 1 15 . 1 1 78 78 VAL CA C 69 63.900 63.900 61.733 2.167 18220 7650 1 15 . 1 1 78 78 VAL CB C 69 31.506 31.506 31.494 0.012 18220 7651 1 15 . 1 1 78 78 VAL H H 69 7.697 7.697 8.394 -0.697 18220 7652 1 15 . 1 1 79 79 ARG N N 70 121.420 121.420 122.276 -0.856 18220 7653 1 15 . 1 1 79 79 ARG HA H 70 3.810 3.810 4.488 -0.678 18220 7654 1 15 . 1 1 79 79 ARG CA C 70 56.400 56.400 56.345 0.055 18220 7655 1 15 . 1 1 79 79 ARG CB C 70 30.097 30.097 31.698 -1.601 18220 7656 1 15 . 1 1 79 79 ARG H H 70 7.889 7.889 8.252 -0.363 18220 7657 1 15 . 1 1 80 80 PHE N N 71 119.949 119.949 122.464 -2.515 18220 7658 1 15 . 1 1 80 80 PHE HA H 71 4.510 4.510 4.597 -0.087 18220 7659 1 15 . 1 1 80 80 PHE CA C 71 58.600 58.600 57.844 0.756 18220 7660 1 15 . 1 1 80 80 PHE CB C 71 39.145 39.145 38.926 0.219 18220 7661 1 15 . 1 1 80 80 PHE H H 71 8.101 8.101 8.484 -0.383 18220 7662 1 15 . 1 1 81 81 LYS N N 72 122.193 122.193 123.373 -1.180 18220 7663 1 15 . 1 1 81 81 LYS CA C 72 56.800 56.800 56.314 0.486 18220 7664 1 15 . 1 1 81 81 LYS CB C 72 32.322 32.322 33.891 -1.569 18220 7665 1 15 . 1 1 81 81 LYS H H 72 8.090 8.090 7.983 0.107 18220 7666 1 15 . 1 1 82 82 ARG N N 73 119.650 119.650 121.174 -1.524 18220 7667 1 15 . 1 1 82 82 ARG CA C 73 56.089 56.089 56.910 -0.821 18220 7668 1 15 . 1 1 82 82 ARG CB C 73 30.171 30.171 29.791 0.380 18220 7669 1 15 . 1 1 82 82 ARG H H 73 8.052 8.052 8.356 -0.304 18220 7670 1 15 . 1 1 83 83 SER N N 74 115.734 115.734 116.775 -1.041 18220 7671 1 15 . 1 1 83 83 SER CA C 74 58.355 58.355 58.155 0.200 18220 7672 1 15 . 1 1 83 83 SER CB C 74 63.404 63.404 65.458 -2.054 18220 7673 1 15 . 1 1 83 83 SER H H 74 7.912 7.912 8.264 -0.352 18220 7674 1 15 . 1 1 84 84 LYS N N 75 122.370 122.370 121.720 0.650 18220 7675 1 15 . 1 1 84 84 LYS CA C 75 56.135 56.135 56.382 -0.247 18220 7676 1 15 . 1 1 84 84 LYS CB C 75 32.175 32.175 32.657 -0.482 18220 7677 1 15 . 1 1 84 84 LYS H H 75 8.067 8.067 8.370 -0.303 18220 7678 1 15 . 1 1 86 86 ILE N N 77 119.592 119.592 118.386 1.206 18220 7679 1 15 . 1 1 86 86 ILE HA H 77 3.810 3.810 4.495 -0.685 18220 7680 1 15 . 1 1 86 86 ILE CA C 77 64.900 64.900 61.816 3.084 18220 7681 1 15 . 1 1 86 86 ILE CB C 77 39.145 39.145 38.669 0.476 18220 7682 1 15 . 1 1 86 86 ILE H H 77 7.837 7.837 8.548 -0.711 18220 7683 1 15 . 1 1 87 87 MET N N 78 121.645 121.645 122.109 -0.464 18220 7684 1 15 . 1 1 87 87 MET CA C 78 52.982 52.982 56.500 -3.518 18220 7685 1 15 . 1 1 87 87 MET CB C 78 32.173 32.173 30.988 1.185 18220 7686 1 15 . 1 1 87 87 MET H H 78 7.950 7.950 8.923 -0.973 18220 7687 1 15 . 1 1 88 88 PRO HA H 79 4.140 4.140 4.395 -0.255 18220 7688 1 15 . 1 1 88 88 PRO C C 79 173.921 173.921 178.084 -4.163 18220 7689 1 15 . 1 1 88 88 PRO CA C 79 62.800 62.800 65.635 -2.834 18220 7690 1 15 . 1 1 88 88 PRO CB C 79 31.136 31.136 31.607 -0.471 18220 7691 1 15 . 1 1 89 89 ALA N N 80 124.431 124.431 121.411 3.020 18220 7692 1 15 . 1 1 89 89 ALA HA H 80 4.400 4.400 4.044 0.356 18220 7693 1 15 . 1 1 89 89 ALA C C 80 176.234 176.234 179.775 -3.541 18220 7694 1 15 . 1 1 89 89 ALA CA C 80 53.300 53.300 55.033 -1.733 18220 7695 1 15 . 1 1 89 89 ALA CB C 80 18.498 18.498 18.167 0.331 18220 7696 1 15 . 1 1 89 89 ALA H H 80 8.320 8.320 8.551 -0.231 18220 7697 1 15 . 1 1 90 90 GLY N N 81 106.834 106.834 107.079 -0.245 18220 7698 1 15 . 1 1 90 90 GLY C C 81 172.398 172.398 176.226 -3.828 18220 7699 1 15 . 1 1 90 90 GLY CA C 81 45.600 45.600 47.348 -1.748 18220 7700 1 15 . 1 1 90 90 GLY H H 81 8.458 8.458 8.492 -0.034 18220 7701 1 15 . 1 1 91 91 LEU N N 82 121.043 121.043 122.451 -1.408 18220 7702 1 15 . 1 1 91 91 LEU HA H 82 4.200 4.200 4.086 0.114 18220 7703 1 15 . 1 1 91 91 LEU C C 82 174.783 174.783 179.028 -4.245 18220 7704 1 15 . 1 1 91 91 LEU CA C 82 56.300 56.300 57.586 -1.286 18220 7705 1 15 . 1 1 91 91 LEU CB C 82 42.106 42.106 41.255 0.851 18220 7706 1 15 . 1 1 91 91 LEU H H 82 7.687 7.687 7.584 0.103 18220 7707 1 15 . 1 1 92 92 VAL N N 83 114.737 114.737 118.861 -4.124 18220 7708 1 15 . 1 1 92 92 VAL HA H 83 3.980 3.980 3.599 0.381 18220 7709 1 15 . 1 1 92 92 VAL C C 83 173.634 173.634 177.818 -4.184 18220 7710 1 15 . 1 1 92 92 VAL CA C 83 62.400 62.400 66.780 -4.380 18220 7711 1 15 . 1 1 92 92 VAL CB C 83 31.585 31.585 31.107 0.478 18220 7712 1 15 . 1 1 92 92 VAL H H 83 7.602 7.602 7.826 -0.224 18220 7713 1 15 . 1 1 93 93 ALA N N 84 124.320 124.320 121.609 2.711 18220 7714 1 15 . 1 1 93 93 ALA HA H 84 4.150 4.150 4.149 0.001 18220 7715 1 15 . 1 1 93 93 ALA C C 84 175.746 175.746 179.884 -4.138 18220 7716 1 15 . 1 1 93 93 ALA CA C 84 53.300 53.300 55.236 -1.936 18220 7717 1 15 . 1 1 93 93 ALA CB C 84 18.241 18.241 17.929 0.312 18220 7718 1 15 . 1 1 93 93 ALA H H 84 7.891 7.891 8.150 -0.259 18220 7719 1 15 . 1 1 94 94 GLY N N 85 106.807 106.807 108.077 -1.270 18220 7720 1 15 . 1 1 94 94 GLY C C 85 171.752 171.752 175.686 -3.934 18220 7721 1 15 . 1 1 94 94 GLY CA C 85 45.249 45.249 46.647 -1.398 18220 7722 1 15 . 1 1 94 94 GLY H H 85 8.204 8.204 8.113 0.091 18220 7723 1 15 . 1 1 95 95 LEU N N 86 121.266 121.266 123.168 -1.902 18220 7724 1 15 . 1 1 95 95 LEU HA H 86 4.380 4.380 4.005 0.375 18220 7725 1 15 . 1 1 95 95 LEU C C 86 173.702 173.702 178.866 -5.164 18220 7726 1 15 . 1 1 95 95 LEU CA C 86 55.000 55.000 57.617 -2.617 18220 7727 1 15 . 1 1 95 95 LEU CB C 86 42.298 42.298 42.077 0.221 18220 7728 1 15 . 1 1 95 95 LEU H H 86 7.718 7.718 8.359 -0.641 18220 7729 1 15 . 1 1 96 96 SER N N 87 115.658 115.658 115.281 0.377 18220 7730 1 15 . 1 1 96 96 SER HA H 87 4.370 4.370 4.096 0.274 18220 7731 1 15 . 1 1 96 96 SER C C 87 172.479 172.479 176.713 -4.234 18220 7732 1 15 . 1 1 96 96 SER CA C 87 57.200 57.200 62.421 -5.221 18220 7733 1 15 . 1 1 96 96 SER CB C 87 64.174 64.174 63.169 1.006 18220 7734 1 15 . 1 1 96 96 SER H H 87 7.659 7.659 8.019 -0.360 18220 7735 1 15 . 1 1 97 97 LEU N N 88 123.720 123.720 122.706 1.014 18220 7736 1 15 . 1 1 97 97 LEU HA H 88 4.600 4.600 3.880 0.720 18220 7737 1 15 . 1 1 97 97 LEU C C 88 175.932 175.932 179.098 -3.166 18220 7738 1 15 . 1 1 97 97 LEU CA C 88 57.600 57.600 58.250 -0.650 18220 7739 1 15 . 1 1 97 97 LEU CB C 88 41.400 41.400 42.011 -0.611 18220 7740 1 15 . 1 1 97 97 LEU H H 88 8.733 8.733 8.116 0.617 18220 7741 1 15 . 1 1 98 98 MET N N 89 116.684 116.684 117.345 -0.661 18220 7742 1 15 . 1 1 98 98 MET HA H 89 4.280 4.280 4.032 0.248 18220 7743 1 15 . 1 1 98 98 MET C C 89 175.789 175.789 178.776 -2.987 18220 7744 1 15 . 1 1 98 98 MET CA C 89 56.915 56.915 58.419 -1.504 18220 7745 1 15 . 1 1 98 98 MET CB C 89 31.007 31.007 32.059 -1.052 18220 7746 1 15 . 1 1 98 98 MET H H 89 8.342 8.342 8.154 0.188 18220 7747 1 15 . 1 1 99 99 MET N N 90 119.182 119.182 119.193 -0.011 18220 7748 1 15 . 1 1 99 99 MET HA H 90 4.110 4.110 4.022 0.088 18220 7749 1 15 . 1 1 99 99 MET C C 90 175.588 175.588 178.930 -3.342 18220 7750 1 15 . 1 1 99 99 MET CA C 90 57.951 57.951 59.222 -1.271 18220 7751 1 15 . 1 1 99 99 MET CB C 90 32.226 32.226 32.295 -0.069 18220 7752 1 15 . 1 1 99 99 MET H H 90 7.720 7.720 8.129 -0.409 18220 7753 1 15 . 1 1 100 100 ILE N N 91 119.077 119.077 117.443 1.634 18220 7754 1 15 . 1 1 100 100 ILE HA H 91 4.110 4.110 3.609 0.501 18220 7755 1 15 . 1 1 100 100 ILE C C 91 174.634 174.634 177.752 -3.118 18220 7756 1 15 . 1 1 100 100 ILE CA C 91 64.100 64.100 64.725 -0.625 18220 7757 1 15 . 1 1 100 100 ILE CB C 91 37.143 37.143 37.170 -0.027 18220 7758 1 15 . 1 1 100 100 ILE H H 91 7.662 7.662 8.110 -0.448 18220 7759 1 15 . 1 1 101 101 LEU N N 92 119.646 119.646 120.864 -1.218 18220 7760 1 15 . 1 1 101 101 LEU HA H 92 4.530 4.530 3.920 0.610 18220 7761 1 15 . 1 1 101 101 LEU C C 92 175.430 175.430 179.360 -3.930 18220 7762 1 15 . 1 1 101 101 LEU CA C 92 57.800 57.800 58.664 -0.864 18220 7763 1 15 . 1 1 101 101 LEU CB C 92 40.758 40.758 41.638 -0.880 18220 7764 1 15 . 1 1 101 101 LEU H H 92 8.142 8.142 8.156 -0.014 18220 7765 1 15 . 1 1 102 102 ARG N N 93 116.394 116.394 118.196 -1.802 18220 7766 1 15 . 1 1 102 102 ARG HA H 93 4.140 4.140 4.039 0.101 18220 7767 1 15 . 1 1 102 102 ARG C C 93 175.961 175.961 178.521 -2.560 18220 7768 1 15 . 1 1 102 102 ARG CA C 93 59.100 59.100 58.623 0.477 18220 7769 1 15 . 1 1 102 102 ARG CB C 93 29.404 29.404 29.859 -0.455 18220 7770 1 15 . 1 1 102 102 ARG H H 93 7.893 7.893 8.118 -0.225 18220 7771 1 15 . 1 1 103 103 LEU N N 94 119.114 119.114 121.398 -2.284 18220 7772 1 15 . 1 1 103 103 LEU HA H 94 4.110 4.110 3.968 0.142 18220 7773 1 15 . 1 1 103 103 LEU C C 94 175.889 175.889 178.665 -2.776 18220 7774 1 15 . 1 1 103 103 LEU CA C 94 57.300 57.300 58.800 -1.500 18220 7775 1 15 . 1 1 103 103 LEU CB C 94 41.296 41.296 41.781 -0.485 18220 7776 1 15 . 1 1 103 103 LEU H H 94 7.622 7.622 8.053 -0.431 18220 7777 1 15 . 1 1 104 104 VAL N N 95 117.704 117.704 118.827 -1.123 18220 7778 1 15 . 1 1 104 104 VAL HA H 95 3.530 3.530 3.687 -0.157 18220 7779 1 15 . 1 1 104 104 VAL C C 95 175.042 175.042 178.056 -3.014 18220 7780 1 15 . 1 1 104 104 VAL CA C 95 66.419 66.419 65.758 0.661 18220 7781 1 15 . 1 1 104 104 VAL CB C 95 31.357 31.357 31.180 0.177 18220 7782 1 15 . 1 1 104 104 VAL H H 95 8.026 8.026 7.704 0.322 18220 7783 1 15 . 1 1 105 105 LEU N N 96 117.185 117.185 120.314 -3.129 18220 7784 1 15 . 1 1 105 105 LEU HA H 96 3.980 3.980 3.930 0.050 18220 7785 1 15 . 1 1 105 105 LEU C C 96 176.579 176.579 178.405 -1.826 18220 7786 1 15 . 1 1 105 105 LEU CA C 96 56.800 56.800 57.976 -1.176 18220 7787 1 15 . 1 1 105 105 LEU CB C 96 40.951 40.951 40.919 0.032 18220 7788 1 15 . 1 1 105 105 LEU H H 96 7.893 7.893 7.477 0.416 18220 7789 1 15 . 1 1 106 106 LEU N N 97 118.471 118.471 117.494 0.977 18220 7790 1 15 . 1 1 106 106 LEU HA H 97 4.180 4.180 3.937 0.243 18220 7791 1 15 . 1 1 106 106 LEU C C 97 175.802 175.802 178.632 -2.830 18220 7792 1 15 . 1 1 106 106 LEU CA C 97 56.300 56.300 57.126 -0.826 18220 7793 1 15 . 1 1 106 106 LEU CB C 97 41.592 41.592 42.082 -0.490 18220 7794 1 15 . 1 1 106 106 LEU H H 97 7.545 7.545 7.686 -0.141 18220 7795 1 15 . 1 1 107 107 LEU N N 98 118.162 118.162 119.079 -0.917 18220 7796 1 15 . 1 1 107 107 LEU HA H 98 4.230 4.230 4.169 0.061 18220 7797 1 15 . 1 1 107 107 LEU C C 98 174.174 174.174 178.062 -3.888 18220 7798 1 15 . 1 1 107 107 LEU CA C 98 56.283 56.283 56.877 -0.594 18220 7799 1 15 . 1 1 107 107 LEU CB C 98 42.362 42.362 42.387 -0.025 18220 7800 1 15 . 1 1 107 107 LEU H H 98 7.688 7.688 7.843 -0.155 18220 7801 1 16 . 1 1 11 11 ASP N N 2 120.536 120.536 125.748 -5.212 18220 7802 1 16 . 1 1 11 11 ASP CA C 2 55.918 55.918 54.680 1.238 18220 7803 1 16 . 1 1 11 11 ASP CB C 2 37.959 37.959 42.088 -4.129 18220 7804 1 16 . 1 1 11 11 ASP H H 2 7.863 7.863 8.522 -0.659 18220 7805 1 16 . 1 1 12 12 LEU N N 3 121.414 121.414 125.676 -4.262 18220 7806 1 16 . 1 1 12 12 LEU C C 3 176.162 176.162 175.205 0.957 18220 7807 1 16 . 1 1 12 12 LEU CA C 3 57.600 57.600 55.400 2.200 18220 7808 1 16 . 1 1 12 12 LEU CB C 3 41.657 41.657 42.934 -1.277 18220 7809 1 16 . 1 1 12 12 LEU H H 3 8.285 8.285 8.032 0.253 18220 7810 1 16 . 1 1 13 13 ILE N N 4 118.854 118.854 122.593 -3.739 18220 7811 1 16 . 1 1 13 13 ILE HA H 4 3.740 3.740 5.217 -1.477 18220 7812 1 16 . 1 1 13 13 ILE C C 4 175.228 175.228 175.410 -0.182 18220 7813 1 16 . 1 1 13 13 ILE CA C 4 64.500 64.500 60.547 3.953 18220 7814 1 16 . 1 1 13 13 ILE CB C 4 37.102 37.102 40.789 -3.687 18220 7815 1 16 . 1 1 13 13 ILE H H 4 8.031 8.031 8.749 -0.718 18220 7816 1 16 . 1 1 14 14 GLY N N 5 107.478 107.478 110.567 -3.089 18220 7817 1 16 . 1 1 14 14 GLY C C 5 174.424 174.424 173.717 0.707 18220 7818 1 16 . 1 1 14 14 GLY CA C 5 47.059 47.059 45.073 1.986 18220 7819 1 16 . 1 1 14 14 GLY H H 5 8.148 8.148 8.167 -0.019 18220 7820 1 16 . 1 1 15 15 PHE N N 6 122.774 122.774 123.799 -1.025 18220 7821 1 16 . 1 1 15 15 PHE HA H 6 4.480 4.480 4.391 0.089 18220 7822 1 16 . 1 1 15 15 PHE C C 6 175.113 175.113 177.392 -2.279 18220 7823 1 16 . 1 1 15 15 PHE CA C 6 60.017 60.017 59.816 0.201 18220 7824 1 16 . 1 1 15 15 PHE CB C 6 38.774 38.774 39.188 -0.414 18220 7825 1 16 . 1 1 15 15 PHE H H 6 8.194 8.194 8.923 -0.729 18220 7826 1 16 . 1 1 16 16 GLY N N 7 107.938 107.938 107.830 0.108 18220 7827 1 16 . 1 1 16 16 GLY C C 7 171.838 171.838 176.060 -4.222 18220 7828 1 16 . 1 1 16 16 GLY CA C 7 47.100 47.100 47.647 -0.547 18220 7829 1 16 . 1 1 16 16 GLY H H 7 8.697 8.697 8.614 0.083 18220 7830 1 16 . 1 1 17 17 TYR N N 8 121.785 121.785 122.528 -0.743 18220 7831 1 16 . 1 1 17 17 TYR HA H 8 4.150 4.150 4.140 0.010 18220 7832 1 16 . 1 1 17 17 TYR C C 8 174.180 174.180 177.975 -3.795 18220 7833 1 16 . 1 1 17 17 TYR CA C 8 61.300 61.300 61.235 0.065 18220 7834 1 16 . 1 1 17 17 TYR CB C 8 37.959 37.959 38.074 -0.115 18220 7835 1 16 . 1 1 17 17 TYR H H 8 8.710 8.710 8.495 0.215 18220 7836 1 16 . 1 1 18 18 ALA N N 9 120.233 120.233 120.511 -0.278 18220 7837 1 16 . 1 1 18 18 ALA HA H 9 3.950 3.950 3.910 0.040 18220 7838 1 16 . 1 1 18 18 ALA C C 9 178.059 178.059 178.967 -0.908 18220 7839 1 16 . 1 1 18 18 ALA CA C 9 54.872 54.872 55.102 -0.230 18220 7840 1 16 . 1 1 18 18 ALA CB C 9 17.562 17.562 17.631 -0.069 18220 7841 1 16 . 1 1 18 18 ALA H H 9 7.843 7.843 8.255 -0.412 18220 7842 1 16 . 1 1 19 19 ALA N N 10 121.797 121.797 121.195 0.602 18220 7843 1 16 . 1 1 19 19 ALA HA H 10 3.950 3.950 4.185 -0.235 18220 7844 1 16 . 1 1 19 19 ALA C C 10 176.191 176.191 179.490 -3.299 18220 7845 1 16 . 1 1 19 19 ALA CA C 10 54.600 54.600 54.534 0.066 18220 7846 1 16 . 1 1 19 19 ALA CB C 10 17.562 17.562 18.283 -0.721 18220 7847 1 16 . 1 1 19 19 ALA H H 10 8.212 8.212 7.826 0.386 18220 7848 1 16 . 1 1 20 20 LEU N N 11 119.442 119.442 121.355 -1.913 18220 7849 1 16 . 1 1 20 20 LEU HA H 11 3.937 3.937 4.191 -0.254 18220 7850 1 16 . 1 1 20 20 LEU C C 11 176.694 176.694 178.417 -1.723 18220 7851 1 16 . 1 1 20 20 LEU CA C 11 57.800 57.800 58.145 -0.345 18220 7852 1 16 . 1 1 20 20 LEU CB C 11 41.222 41.222 42.134 -0.912 18220 7853 1 16 . 1 1 20 20 LEU H H 11 8.065 8.065 7.873 0.192 18220 7854 1 16 . 1 1 21 21 VAL N N 12 118.323 118.323 118.498 -0.175 18220 7855 1 16 . 1 1 21 21 VAL HA H 12 3.640 3.640 3.584 0.056 18220 7856 1 16 . 1 1 21 21 VAL C C 12 176.536 176.536 177.780 -1.244 18220 7857 1 16 . 1 1 21 21 VAL CA C 12 65.400 65.400 66.602 -1.202 18220 7858 1 16 . 1 1 21 21 VAL CB C 12 31.135 31.135 31.083 0.052 18220 7859 1 16 . 1 1 21 21 VAL H H 12 8.051 8.051 8.548 -0.497 18220 7860 1 16 . 1 1 22 22 THR N N 13 118.298 118.298 116.672 1.626 18220 7861 1 16 . 1 1 22 22 THR HA H 13 4.660 4.660 3.964 0.696 18220 7862 1 16 . 1 1 22 22 THR C C 13 173.734 173.734 176.479 -2.745 18220 7863 1 16 . 1 1 22 22 THR CA C 13 66.300 66.300 67.776 -1.476 18220 7864 1 16 . 1 1 22 22 THR CB C 13 67.775 67.775 68.691 -0.915 18220 7865 1 16 . 1 1 22 22 THR H H 13 7.944 7.944 7.994 -0.050 18220 7866 1 16 . 1 1 23 23 PHE N N 14 121.328 121.328 121.798 -0.470 18220 7867 1 16 . 1 1 23 23 PHE HA H 14 4.340 4.340 4.114 0.226 18220 7868 1 16 . 1 1 23 23 PHE C C 14 174.783 174.783 177.759 -2.976 18220 7869 1 16 . 1 1 23 23 PHE CA C 14 60.500 60.500 60.854 -0.354 18220 7870 1 16 . 1 1 23 23 PHE CB C 14 38.626 38.626 38.740 -0.114 18220 7871 1 16 . 1 1 23 23 PHE H H 14 8.567 8.567 8.420 0.147 18220 7872 1 16 . 1 1 24 24 GLY N N 15 106.871 106.871 106.615 0.256 18220 7873 1 16 . 1 1 24 24 GLY C C 15 172.858 172.858 175.940 -3.082 18220 7874 1 16 . 1 1 24 24 GLY CA C 15 46.900 46.900 46.727 0.173 18220 7875 1 16 . 1 1 24 24 GLY H H 15 8.475 8.475 8.367 0.108 18220 7876 1 16 . 1 1 25 25 SER N N 16 116.214 116.214 118.547 -2.333 18220 7877 1 16 . 1 1 25 25 SER HA H 16 4.280 4.280 4.066 0.214 18220 7878 1 16 . 1 1 25 25 SER CA C 16 60.300 60.300 61.894 -1.594 18220 7879 1 16 . 1 1 25 25 SER CB C 16 62.879 62.879 63.306 -0.427 18220 7880 1 16 . 1 1 25 25 SER H H 16 7.963 7.963 8.145 -0.182 18220 7881 1 16 . 1 1 26 26 ILE N N 17 121.024 121.024 119.004 2.020 18220 7882 1 16 . 1 1 26 26 ILE HA H 17 3.946 3.946 3.751 0.195 18220 7883 1 16 . 1 1 26 26 ILE C C 17 173.935 173.935 177.905 -3.970 18220 7884 1 16 . 1 1 26 26 ILE CA C 17 63.100 63.100 64.478 -1.378 18220 7885 1 16 . 1 1 26 26 ILE CB C 17 38.107 38.107 37.480 0.627 18220 7886 1 16 . 1 1 26 26 ILE H H 17 7.676 7.676 8.004 -0.328 18220 7887 1 16 . 1 1 27 27 PHE N N 18 117.142 117.142 119.962 -2.820 18220 7888 1 16 . 1 1 27 27 PHE HA H 18 4.430 4.430 4.078 0.352 18220 7889 1 16 . 1 1 27 27 PHE C C 18 173.504 173.504 176.806 -3.302 18220 7890 1 16 . 1 1 27 27 PHE CA C 18 58.500 58.500 61.238 -2.738 18220 7891 1 16 . 1 1 27 27 PHE CB C 18 38.774 38.774 38.515 0.259 18220 7892 1 16 . 1 1 27 27 PHE H H 18 7.703 7.703 8.021 -0.318 18220 7893 1 16 . 1 1 28 28 GLY N N 19 107.303 107.303 104.139 3.164 18220 7894 1 16 . 1 1 28 28 GLY C C 19 171.593 171.593 174.823 -3.230 18220 7895 1 16 . 1 1 28 28 GLY CA C 19 45.600 45.600 45.330 0.270 18220 7896 1 16 . 1 1 28 28 GLY H H 19 7.722 7.722 7.740 -0.018 18220 7897 1 16 . 1 1 29 29 TYR N N 20 119.862 119.862 123.766 -3.904 18220 7898 1 16 . 1 1 29 29 TYR HA H 20 4.392 4.392 4.327 0.065 18220 7899 1 16 . 1 1 29 29 TYR C C 20 173.174 173.174 174.998 -1.824 18220 7900 1 16 . 1 1 29 29 TYR CA C 20 58.500 58.500 58.228 0.272 18220 7901 1 16 . 1 1 29 29 TYR CB C 20 38.404 38.404 36.918 1.486 18220 7902 1 16 . 1 1 29 29 TYR H H 20 7.880 7.880 8.078 -0.198 18220 7903 1 16 . 1 1 30 30 LYS N N 21 122.335 122.335 120.665 1.670 18220 7904 1 16 . 1 1 30 30 LYS HA H 21 4.390 4.390 4.488 -0.098 18220 7905 1 16 . 1 1 30 30 LYS C C 21 173.547 173.547 177.304 -3.757 18220 7906 1 16 . 1 1 30 30 LYS CA C 21 55.800 55.800 56.616 -0.816 18220 7907 1 16 . 1 1 30 30 LYS CB C 21 32.396 32.396 33.239 -0.843 18220 7908 1 16 . 1 1 30 30 LYS H H 21 7.934 7.934 8.601 -0.667 18220 7909 1 16 . 1 1 31 31 ARG N N 22 120.612 120.612 120.856 -0.244 18220 7910 1 16 . 1 1 31 31 ARG C C 22 173.547 173.547 176.377 -2.830 18220 7911 1 16 . 1 1 31 31 ARG CA C 22 55.834 55.834 55.984 -0.150 18220 7912 1 16 . 1 1 31 31 ARG CB C 22 30.101 30.101 32.182 -2.081 18220 7913 1 16 . 1 1 31 31 ARG H H 22 7.905 7.905 7.912 -0.007 18220 7914 1 16 . 1 1 32 32 ARG N N 23 121.748 121.748 117.829 3.919 18220 7915 1 16 . 1 1 32 32 ARG HA H 23 4.310 4.310 4.089 0.221 18220 7916 1 16 . 1 1 32 32 ARG C C 23 173.863 173.863 174.465 -0.602 18220 7917 1 16 . 1 1 32 32 ARG CA C 23 55.800 55.800 56.544 -0.744 18220 7918 1 16 . 1 1 32 32 ARG CB C 23 30.245 30.245 29.697 0.548 18220 7919 1 16 . 1 1 32 32 ARG H H 23 8.175 8.175 8.352 -0.177 18220 7920 1 16 . 1 1 33 33 GLY N N 24 109.528 109.528 110.515 -0.987 18220 7921 1 16 . 1 1 33 33 GLY C C 24 171.752 171.752 173.823 -2.071 18220 7922 1 16 . 1 1 33 33 GLY CA C 24 44.900 44.900 45.342 -0.442 18220 7923 1 16 . 1 1 33 33 GLY H H 24 8.264 8.264 8.802 -0.538 18220 7924 1 16 . 1 1 34 34 GLY N N 25 108.563 108.563 110.195 -1.632 18220 7925 1 16 . 1 1 34 34 GLY C C 25 171.701 171.701 174.229 -2.528 18220 7926 1 16 . 1 1 34 34 GLY CA C 25 44.600 44.600 44.403 0.197 18220 7927 1 16 . 1 1 34 34 GLY H H 25 8.208 8.208 8.037 0.171 18220 7928 1 16 . 1 1 35 35 VAL N N 26 121.164 121.164 122.146 -0.982 18220 7929 1 16 . 1 1 35 35 VAL HA H 26 4.010 4.010 4.182 -0.172 18220 7930 1 16 . 1 1 35 35 VAL C C 26 175.888 175.888 174.843 1.045 18220 7931 1 16 . 1 1 35 35 VAL CA C 26 63.900 63.900 60.698 3.202 18220 7932 1 16 . 1 1 35 35 VAL CB C 26 30.690 30.690 33.165 -2.475 18220 7933 1 16 . 1 1 35 35 VAL H H 26 8.485 8.485 8.061 0.424 18220 7934 1 16 . 1 1 36 36 PRO C C 27 177.660 177.660 175.574 2.086 18220 7935 1 16 . 1 1 36 36 PRO CA C 27 61.847 61.847 63.502 -1.655 18220 7936 1 16 . 1 1 37 37 SER N N 28 116.023 116.023 117.659 -1.636 18220 7937 1 16 . 1 1 37 37 SER HA H 28 4.280 4.280 4.389 -0.109 18220 7938 1 16 . 1 1 37 37 SER CA C 28 61.100 61.100 59.353 1.747 18220 7939 1 16 . 1 1 37 37 SER H H 28 7.948 7.948 8.127 -0.179 18220 7940 1 16 . 1 1 38 38 LEU N N 29 124.029 124.029 124.827 -0.798 18220 7941 1 16 . 1 1 38 38 LEU HA H 29 4.170 4.170 3.930 0.240 18220 7942 1 16 . 1 1 38 38 LEU C C 29 176.132 176.132 178.536 -2.404 18220 7943 1 16 . 1 1 38 38 LEU CA C 29 57.500 57.500 58.534 -1.034 18220 7944 1 16 . 1 1 38 38 LEU CB C 29 42.038 42.038 42.268 -0.230 18220 7945 1 16 . 1 1 38 38 LEU H H 29 8.201 8.201 8.293 -0.092 18220 7946 1 16 . 1 1 39 39 ILE N N 30 117.098 117.098 117.689 -0.591 18220 7947 1 16 . 1 1 39 39 ILE HA H 30 4.370 4.370 3.578 0.792 18220 7948 1 16 . 1 1 39 39 ILE C C 30 176.478 176.478 177.418 -0.940 18220 7949 1 16 . 1 1 39 39 ILE CA C 30 63.079 63.079 65.639 -2.560 18220 7950 1 16 . 1 1 39 39 ILE CB C 30 36.973 36.973 37.353 -0.380 18220 7951 1 16 . 1 1 39 39 ILE H H 30 7.662 7.662 7.944 -0.281 18220 7952 1 16 . 1 1 40 40 ALA N N 31 122.447 122.447 121.735 0.712 18220 7953 1 16 . 1 1 40 40 ALA HA H 31 4.034 4.034 4.042 -0.008 18220 7954 1 16 . 1 1 40 40 ALA C C 31 177.067 177.067 179.951 -2.884 18220 7955 1 16 . 1 1 40 40 ALA CA C 31 55.962 55.962 55.201 0.761 18220 7956 1 16 . 1 1 40 40 ALA CB C 31 17.856 17.856 17.757 0.099 18220 7957 1 16 . 1 1 40 40 ALA H H 31 8.096 8.096 7.893 0.203 18220 7958 1 16 . 1 1 41 41 GLY N N 32 104.056 104.056 106.734 -2.678 18220 7959 1 16 . 1 1 41 41 GLY C C 32 174.251 174.251 176.229 -1.978 18220 7960 1 16 . 1 1 41 41 GLY CA C 32 46.500 46.500 46.675 -0.175 18220 7961 1 16 . 1 1 41 41 GLY H H 32 8.123 8.123 8.152 -0.029 18220 7962 1 16 . 1 1 42 42 LEU N N 33 123.250 123.250 123.730 -0.480 18220 7963 1 16 . 1 1 42 42 LEU HA H 33 3.857 3.857 4.074 -0.217 18220 7964 1 16 . 1 1 42 42 LEU C C 33 176.033 176.033 178.646 -2.613 18220 7965 1 16 . 1 1 42 42 LEU CA C 33 56.668 56.668 58.425 -1.757 18220 7966 1 16 . 1 1 42 42 LEU CB C 33 41.721 41.721 41.928 -0.207 18220 7967 1 16 . 1 1 42 42 LEU H H 33 7.914 7.914 7.988 -0.074 18220 7968 1 16 . 1 1 43 43 PHE N N 34 119.757 119.757 118.588 1.169 18220 7969 1 16 . 1 1 43 43 PHE HA H 34 4.200 4.200 3.979 0.221 18220 7970 1 16 . 1 1 43 43 PHE C C 34 174.374 174.374 177.819 -3.445 18220 7971 1 16 . 1 1 43 43 PHE CA C 34 59.876 59.876 62.758 -2.882 18220 7972 1 16 . 1 1 43 43 PHE CB C 34 38.834 38.834 38.897 -0.063 18220 7973 1 16 . 1 1 43 43 PHE H H 34 8.287 8.287 8.279 0.008 18220 7974 1 16 . 1 1 44 44 VAL N N 35 117.791 117.791 118.338 -0.547 18220 7975 1 16 . 1 1 44 44 VAL HA H 35 3.610 3.610 3.621 -0.011 18220 7976 1 16 . 1 1 44 44 VAL C C 35 176.205 176.205 177.978 -1.773 18220 7977 1 16 . 1 1 44 44 VAL CA C 35 64.559 64.559 67.783 -3.224 18220 7978 1 16 . 1 1 44 44 VAL CB C 35 31.432 31.432 31.766 -0.334 18220 7979 1 16 . 1 1 44 44 VAL H H 35 8.235 8.235 8.380 -0.145 18220 7980 1 16 . 1 1 45 45 GLY N N 36 108.551 108.551 107.221 1.330 18220 7981 1 16 . 1 1 45 45 GLY C C 36 173.749 173.749 176.260 -2.511 18220 7982 1 16 . 1 1 45 45 GLY CA C 36 46.083 46.083 47.500 -1.417 18220 7983 1 16 . 1 1 45 45 GLY H H 36 8.178 8.178 8.162 0.016 18220 7984 1 16 . 1 1 46 46 CYS N N 37 121.173 121.173 121.146 0.027 18220 7985 1 16 . 1 1 46 46 CYS HA H 37 4.180 4.180 4.157 0.023 18220 7986 1 16 . 1 1 46 46 CYS C C 37 173.710 173.710 176.865 -3.155 18220 7987 1 16 . 1 1 46 46 CYS CA C 37 63.000 63.000 64.001 -1.001 18220 7988 1 16 . 1 1 46 46 CYS CB C 37 60.283 60.283 26.603 33.680 18220 7989 1 16 . 1 1 46 46 CYS H H 37 8.253 8.253 8.406 -0.153 18220 7990 1 16 . 1 1 47 47 LEU N N 38 120.283 120.283 120.584 -0.301 18220 7991 1 16 . 1 1 47 47 LEU HA H 38 4.060 4.060 3.780 0.280 18220 7992 1 16 . 1 1 47 47 LEU C C 38 176.679 176.679 178.450 -1.771 18220 7993 1 16 . 1 1 47 47 LEU CA C 38 56.027 56.027 58.131 -2.104 18220 7994 1 16 . 1 1 47 47 LEU CB C 38 41.464 41.464 41.888 -0.424 18220 7995 1 16 . 1 1 47 47 LEU H H 38 7.965 7.965 8.054 -0.089 18220 7996 1 16 . 1 1 48 48 ALA N N 39 122.249 122.249 120.461 1.788 18220 7997 1 16 . 1 1 48 48 ALA HA H 39 4.142 4.142 4.027 0.115 18220 7998 1 16 . 1 1 48 48 ALA C C 39 177.915 177.915 179.814 -1.899 18220 7999 1 16 . 1 1 48 48 ALA CA C 39 53.717 53.717 55.225 -1.508 18220 8000 1 16 . 1 1 48 48 ALA CB C 39 17.985 17.985 18.229 -0.244 18220 8001 1 16 . 1 1 48 48 ALA H H 39 8.066 8.066 8.178 -0.112 18220 8002 1 16 . 1 1 49 49 GLY N N 40 107.377 107.377 107.106 0.271 18220 8003 1 16 . 1 1 49 49 GLY C C 40 172.527 172.527 176.141 -3.614 18220 8004 1 16 . 1 1 49 49 GLY CA C 40 45.450 45.450 47.080 -1.630 18220 8005 1 16 . 1 1 49 49 GLY H H 40 8.172 8.172 8.242 -0.070 18220 8006 1 16 . 1 1 50 50 TYR N N 41 122.409 122.409 122.537 -0.128 18220 8007 1 16 . 1 1 50 50 TYR HA H 41 3.799 3.799 4.006 -0.207 18220 8008 1 16 . 1 1 50 50 TYR C C 41 174.208 174.208 178.540 -4.332 18220 8009 1 16 . 1 1 50 50 TYR CA C 41 59.245 59.245 61.532 -2.287 18220 8010 1 16 . 1 1 50 50 TYR CB C 41 37.936 37.936 38.068 -0.132 18220 8011 1 16 . 1 1 50 50 TYR H H 41 7.800 7.800 8.512 -0.712 18220 8012 1 16 . 1 1 51 51 GLY N N 42 106.935 106.935 105.890 1.045 18220 8013 1 16 . 1 1 51 51 GLY C C 42 172.642 172.642 175.681 -3.039 18220 8014 1 16 . 1 1 51 51 GLY CA C 42 46.265 46.265 46.959 -0.694 18220 8015 1 16 . 1 1 51 51 GLY H H 42 8.199 8.199 8.150 0.049 18220 8016 1 16 . 1 1 52 52 ALA N N 43 123.018 123.018 125.400 -2.382 18220 8017 1 16 . 1 1 52 52 ALA HA H 43 4.150 4.150 4.118 0.032 18220 8018 1 16 . 1 1 52 52 ALA C C 43 176.398 176.398 179.410 -3.012 18220 8019 1 16 . 1 1 52 52 ALA CA C 43 52.883 52.883 54.344 -1.461 18220 8020 1 16 . 1 1 52 52 ALA CB C 43 18.241 18.241 18.517 -0.276 18220 8021 1 16 . 1 1 52 52 ALA H H 43 7.758 7.758 8.078 -0.320 18220 8022 1 16 . 1 1 53 53 TYR N N 44 119.664 119.664 118.785 0.879 18220 8023 1 16 . 1 1 53 53 TYR HA H 44 4.318 4.318 4.298 0.020 18220 8024 1 16 . 1 1 53 53 TYR C C 44 174.180 174.180 177.795 -3.615 18220 8025 1 16 . 1 1 53 53 TYR CA C 44 58.593 58.593 60.395 -1.802 18220 8026 1 16 . 1 1 53 53 TYR CB C 44 38.192 38.192 38.722 -0.530 18220 8027 1 16 . 1 1 53 53 TYR H H 44 7.920 7.920 8.017 -0.097 18220 8028 1 16 . 1 1 54 54 ARG N N 45 119.516 119.516 117.908 1.608 18220 8029 1 16 . 1 1 54 54 ARG HA H 45 3.930 3.930 4.140 -0.210 18220 8030 1 16 . 1 1 54 54 ARG C C 45 174.423 174.423 176.377 -1.954 18220 8031 1 16 . 1 1 54 54 ARG CA C 45 56.027 56.027 57.883 -1.856 18220 8032 1 16 . 1 1 54 54 ARG CB C 45 30.173 30.173 31.026 -0.853 18220 8033 1 16 . 1 1 54 54 ARG H H 45 7.956 7.956 7.981 -0.025 18220 8034 1 16 . 1 1 55 55 VAL N N 46 116.437 116.437 118.012 -1.575 18220 8035 1 16 . 1 1 55 55 VAL HA H 46 4.060 4.060 3.931 0.129 18220 8036 1 16 . 1 1 55 55 VAL C C 46 173.806 173.806 175.584 -1.778 18220 8037 1 16 . 1 1 55 55 VAL CA C 46 62.300 62.300 63.844 -1.544 18220 8038 1 16 . 1 1 55 55 VAL CB C 46 31.521 31.521 29.602 1.919 18220 8039 1 16 . 1 1 55 55 VAL H H 46 7.489 7.489 7.877 -0.388 18220 8040 1 16 . 1 1 56 56 SER N N 47 117.185 117.185 119.648 -2.463 18220 8041 1 16 . 1 1 56 56 SER HA H 47 4.401 4.401 4.330 0.071 18220 8042 1 16 . 1 1 56 56 SER C C 47 172.074 172.074 175.342 -3.268 18220 8043 1 16 . 1 1 56 56 SER CA C 47 58.133 58.133 59.019 -0.886 18220 8044 1 16 . 1 1 56 56 SER CB C 47 63.468 63.468 63.996 -0.528 18220 8045 1 16 . 1 1 56 56 SER H H 47 7.728 7.728 8.459 -0.731 18220 8046 1 16 . 1 1 57 57 ASN N N 48 121.049 121.049 119.756 1.293 18220 8047 1 16 . 1 1 57 57 ASN HA H 48 4.590 4.590 4.713 -0.123 18220 8048 1 16 . 1 1 57 57 ASN CA C 48 53.600 53.600 54.144 -0.544 18220 8049 1 16 . 1 1 57 57 ASN CB C 48 38.641 38.641 38.959 -0.318 18220 8050 1 16 . 1 1 57 57 ASN H H 48 8.228 8.228 8.448 -0.220 18220 8051 1 16 . 1 1 58 58 ASP N N 49 120.276 120.276 118.874 1.402 18220 8052 1 16 . 1 1 58 58 ASP HA H 49 4.530 4.530 4.714 -0.184 18220 8053 1 16 . 1 1 58 58 ASP CA C 49 54.202 54.202 53.668 0.534 18220 8054 1 16 . 1 1 58 58 ASP CB C 49 40.374 40.374 42.824 -2.450 18220 8055 1 16 . 1 1 58 58 ASP H H 49 8.192 8.192 7.987 0.205 18220 8056 1 16 . 1 1 59 59 LYS N N 50 120.660 120.660 121.053 -0.393 18220 8057 1 16 . 1 1 59 59 LYS HA H 50 4.200 4.200 4.526 -0.326 18220 8058 1 16 . 1 1 59 59 LYS C C 50 173.474 173.474 175.077 -1.603 18220 8059 1 16 . 1 1 59 59 LYS CA C 50 56.300 56.300 56.471 -0.171 18220 8060 1 16 . 1 1 59 59 LYS CB C 50 32.034 32.034 32.869 -0.835 18220 8061 1 16 . 1 1 59 59 LYS H H 50 8.003 8.003 8.380 -0.377 18220 8062 1 16 . 1 1 60 60 ARG N N 51 121.278 121.278 121.250 0.028 18220 8063 1 16 . 1 1 60 60 ARG HA H 51 4.200 4.200 4.606 -0.406 18220 8064 1 16 . 1 1 60 60 ARG C C 51 173.303 173.303 174.765 -1.462 18220 8065 1 16 . 1 1 60 60 ARG CA C 51 56.283 56.283 55.458 0.825 18220 8066 1 16 . 1 1 60 60 ARG CB C 51 30.238 30.238 31.689 -1.451 18220 8067 1 16 . 1 1 60 60 ARG H H 51 8.091 8.091 8.018 0.073 18220 8068 1 16 . 1 1 61 61 ASP N N 52 121.185 121.185 122.925 -1.740 18220 8069 1 16 . 1 1 61 61 ASP HA H 52 4.615 4.615 4.530 0.085 18220 8070 1 16 . 1 1 61 61 ASP C C 52 173.777 173.777 176.987 -3.210 18220 8071 1 16 . 1 1 61 61 ASP CA C 52 53.979 53.979 56.129 -2.150 18220 8072 1 16 . 1 1 61 61 ASP CB C 52 40.245 40.245 41.400 -1.155 18220 8073 1 16 . 1 1 61 61 ASP H H 52 8.261 8.261 8.328 -0.067 18220 8074 1 16 . 1 1 62 62 VAL N N 53 121.902 121.902 117.183 4.719 18220 8075 1 16 . 1 1 62 62 VAL HA H 53 3.950 3.950 3.573 0.377 18220 8076 1 16 . 1 1 62 62 VAL C C 53 173.279 173.279 177.693 -4.414 18220 8077 1 16 . 1 1 62 62 VAL CA C 53 63.176 63.176 66.620 -3.444 18220 8078 1 16 . 1 1 62 62 VAL CB C 53 32.099 32.099 31.161 0.938 18220 8079 1 16 . 1 1 62 62 VAL H H 53 7.997 7.997 8.493 -0.496 18220 8080 1 16 . 1 1 63 63 LYS N N 54 123.522 123.522 120.250 3.272 18220 8081 1 16 . 1 1 63 63 LYS HA H 54 4.260 4.260 4.073 0.187 18220 8082 1 16 . 1 1 63 63 LYS C C 54 174.481 174.481 178.777 -4.296 18220 8083 1 16 . 1 1 63 63 LYS CA C 54 56.347 56.347 59.143 -2.796 18220 8084 1 16 . 1 1 63 63 LYS CB C 54 32.099 32.099 32.359 -0.260 18220 8085 1 16 . 1 1 63 63 LYS H H 54 8.054 8.054 7.959 0.095 18220 8086 1 16 . 1 1 64 64 VAL N N 55 120.647 120.647 115.563 5.084 18220 8087 1 16 . 1 1 64 64 VAL HA H 55 3.947 3.947 3.600 0.347 18220 8088 1 16 . 1 1 64 64 VAL C C 55 174.955 174.955 177.888 -2.933 18220 8089 1 16 . 1 1 64 64 VAL CA C 55 64.600 64.600 66.524 -1.924 18220 8090 1 16 . 1 1 64 64 VAL CB C 55 31.877 31.877 30.779 1.098 18220 8091 1 16 . 1 1 64 64 VAL H H 55 8.225 8.225 7.814 0.411 18220 8092 1 16 . 1 1 65 65 SER N N 56 117.785 117.785 115.417 2.368 18220 8093 1 16 . 1 1 65 65 SER HA H 56 4.390 4.390 4.206 0.184 18220 8094 1 16 . 1 1 65 65 SER C C 56 172.300 172.300 177.024 -4.724 18220 8095 1 16 . 1 1 65 65 SER CA C 56 60.000 60.000 61.786 -1.786 18220 8096 1 16 . 1 1 65 65 SER CB C 56 62.879 62.879 62.895 -0.016 18220 8097 1 16 . 1 1 65 65 SER H H 56 8.260 8.260 7.989 0.271 18220 8098 1 16 . 1 1 66 66 LEU N N 57 123.318 123.318 122.286 1.032 18220 8099 1 16 . 1 1 66 66 LEU HA H 57 4.090 4.090 4.130 -0.040 18220 8100 1 16 . 1 1 66 66 LEU C C 57 175.932 175.932 179.248 -3.316 18220 8101 1 16 . 1 1 66 66 LEU CA C 57 57.502 57.502 58.072 -0.570 18220 8102 1 16 . 1 1 66 66 LEU CB C 57 41.721 41.721 41.280 0.441 18220 8103 1 16 . 1 1 66 66 LEU H H 57 8.091 8.091 7.639 0.452 18220 8104 1 16 . 1 1 67 67 PHE N N 58 118.020 118.020 118.159 -0.139 18220 8105 1 16 . 1 1 67 67 PHE HA H 58 4.330 4.330 4.356 -0.026 18220 8106 1 16 . 1 1 67 67 PHE C C 58 174.912 174.912 178.080 -3.168 18220 8107 1 16 . 1 1 67 67 PHE CA C 58 60.600 60.600 62.499 -1.899 18220 8108 1 16 . 1 1 67 67 PHE CB C 58 38.552 38.552 38.816 -0.264 18220 8109 1 16 . 1 1 67 67 PHE H H 58 8.066 8.066 8.731 -0.665 18220 8110 1 16 . 1 1 68 68 THR N N 59 115.324 115.324 117.623 -2.299 18220 8111 1 16 . 1 1 68 68 THR HA H 59 4.310 4.310 4.197 0.113 18220 8112 1 16 . 1 1 68 68 THR C C 59 173.380 173.380 176.327 -2.947 18220 8113 1 16 . 1 1 68 68 THR CA C 59 66.313 66.313 67.120 -0.806 18220 8114 1 16 . 1 1 68 68 THR CB C 59 67.700 67.700 68.434 -0.734 18220 8115 1 16 . 1 1 68 68 THR H H 59 8.287 8.287 8.373 -0.086 18220 8116 1 16 . 1 1 69 69 ALA N N 60 123.621 123.621 124.342 -0.721 18220 8117 1 16 . 1 1 69 69 ALA HA H 60 4.280 4.280 4.313 -0.033 18220 8118 1 16 . 1 1 69 69 ALA C C 60 176.978 176.978 179.649 -2.671 18220 8119 1 16 . 1 1 69 69 ALA CA C 60 55.100 55.100 54.988 0.112 18220 8120 1 16 . 1 1 69 69 ALA CB C 60 17.728 17.728 18.250 -0.522 18220 8121 1 16 . 1 1 69 69 ALA H H 60 7.983 7.983 8.566 -0.583 18220 8122 1 16 . 1 1 70 70 PHE N N 61 118.520 118.520 120.071 -1.551 18220 8123 1 16 . 1 1 70 70 PHE HA H 61 4.260 4.260 4.080 0.180 18220 8124 1 16 . 1 1 70 70 PHE C C 61 175.369 175.369 177.482 -2.113 18220 8125 1 16 . 1 1 70 70 PHE CA C 61 60.179 60.179 62.564 -2.385 18220 8126 1 16 . 1 1 70 70 PHE CB C 61 38.706 38.706 39.242 -0.536 18220 8127 1 16 . 1 1 70 70 PHE H H 61 8.007 8.007 8.408 -0.401 18220 8128 1 16 . 1 1 71 71 PHE N N 62 122.314 122.314 118.735 3.579 18220 8129 1 16 . 1 1 71 71 PHE HA H 62 4.000 4.000 4.225 -0.225 18220 8130 1 16 . 1 1 71 71 PHE C C 62 174.697 174.697 177.817 -3.120 18220 8131 1 16 . 1 1 71 71 PHE CA C 62 60.517 60.517 62.760 -2.243 18220 8132 1 16 . 1 1 71 71 PHE CB C 62 38.770 38.770 38.951 -0.181 18220 8133 1 16 . 1 1 71 71 PHE H H 62 8.546 8.546 8.495 0.051 18220 8134 1 16 . 1 1 72 72 LEU N N 63 119.399 119.399 120.190 -0.791 18220 8135 1 16 . 1 1 72 72 LEU HA H 63 3.870 3.870 3.870 -0.000 18220 8136 1 16 . 1 1 72 72 LEU C C 63 175.774 175.774 179.053 -3.279 18220 8137 1 16 . 1 1 72 72 LEU CA C 63 56.925 56.925 58.195 -1.270 18220 8138 1 16 . 1 1 72 72 LEU CB C 63 41.207 41.207 41.027 0.180 18220 8139 1 16 . 1 1 72 72 LEU H H 63 8.396 8.396 8.382 0.014 18220 8140 1 16 . 1 1 73 73 ALA N N 64 120.221 120.221 119.829 0.392 18220 8141 1 16 . 1 1 73 73 ALA HA H 64 3.960 3.960 3.751 0.209 18220 8142 1 16 . 1 1 73 73 ALA C C 64 177.267 177.267 179.441 -2.174 18220 8143 1 16 . 1 1 73 73 ALA CA C 64 54.600 54.600 55.232 -0.632 18220 8144 1 16 . 1 1 73 73 ALA CB C 64 17.784 17.784 17.633 0.151 18220 8145 1 16 . 1 1 73 73 ALA H H 64 8.025 8.025 8.120 -0.095 18220 8146 1 16 . 1 1 74 74 THR N N 65 113.648 113.648 112.994 0.654 18220 8147 1 16 . 1 1 74 74 THR HA H 65 3.980 3.980 3.991 -0.011 18220 8148 1 16 . 1 1 74 74 THR CA C 65 66.291 66.291 66.142 0.149 18220 8149 1 16 . 1 1 74 74 THR CB C 65 67.914 67.914 68.619 -0.705 18220 8150 1 16 . 1 1 74 74 THR H H 65 7.717 7.717 7.740 -0.023 18220 8151 1 16 . 1 1 75 75 ILE N N 66 120.291 120.291 118.514 1.777 18220 8152 1 16 . 1 1 75 75 ILE HA H 66 3.740 3.740 3.864 -0.124 18220 8153 1 16 . 1 1 75 75 ILE C C 66 174.951 174.951 177.162 -2.211 18220 8154 1 16 . 1 1 75 75 ILE CA C 66 64.880 64.880 63.126 1.754 18220 8155 1 16 . 1 1 75 75 ILE CB C 66 37.166 37.166 38.028 -0.862 18220 8156 1 16 . 1 1 75 75 ILE H H 66 7.738 7.738 7.769 -0.031 18220 8157 1 16 . 1 1 76 76 MET N N 67 117.618 117.618 117.723 -0.105 18220 8158 1 16 . 1 1 76 76 MET HA H 67 4.220 4.220 4.390 -0.170 18220 8159 1 16 . 1 1 76 76 MET C C 67 175.142 175.142 177.139 -1.997 18220 8160 1 16 . 1 1 76 76 MET CA C 67 56.723 56.723 57.599 -0.876 18220 8161 1 16 . 1 1 76 76 MET CB C 67 31.951 31.951 33.908 -1.957 18220 8162 1 16 . 1 1 76 76 MET H H 67 7.823 7.823 7.967 -0.144 18220 8163 1 16 . 1 1 77 77 GLY N N 68 107.110 107.110 104.423 2.687 18220 8164 1 16 . 1 1 77 77 GLY C C 68 172.260 172.260 172.651 -0.391 18220 8165 1 16 . 1 1 77 77 GLY CA C 68 45.800 45.800 45.334 0.466 18220 8166 1 16 . 1 1 77 77 GLY H H 68 7.937 7.937 8.095 -0.158 18220 8167 1 16 . 1 1 78 78 VAL N N 69 120.431 120.431 114.438 5.993 18220 8168 1 16 . 1 1 78 78 VAL HA H 69 4.220 4.220 4.198 0.022 18220 8169 1 16 . 1 1 78 78 VAL CA C 69 63.900 63.900 62.620 1.280 18220 8170 1 16 . 1 1 78 78 VAL CB C 69 31.506 31.506 33.084 -1.579 18220 8171 1 16 . 1 1 78 78 VAL H H 69 7.697 7.697 7.827 -0.130 18220 8172 1 16 . 1 1 79 79 ARG N N 70 121.420 121.420 120.903 0.517 18220 8173 1 16 . 1 1 79 79 ARG HA H 70 3.810 3.810 4.571 -0.761 18220 8174 1 16 . 1 1 79 79 ARG CA C 70 56.400 56.400 55.192 1.208 18220 8175 1 16 . 1 1 79 79 ARG CB C 70 30.097 30.097 29.700 0.397 18220 8176 1 16 . 1 1 79 79 ARG H H 70 7.889 7.889 7.979 -0.090 18220 8177 1 16 . 1 1 80 80 PHE N N 71 119.949 119.949 116.157 3.792 18220 8178 1 16 . 1 1 80 80 PHE HA H 71 4.510 4.510 4.116 0.394 18220 8179 1 16 . 1 1 80 80 PHE CA C 71 58.600 58.600 58.620 -0.020 18220 8180 1 16 . 1 1 80 80 PHE CB C 71 39.145 39.145 36.347 2.798 18220 8181 1 16 . 1 1 80 80 PHE H H 71 8.101 8.101 7.747 0.354 18220 8182 1 16 . 1 1 81 81 LYS N N 72 122.193 122.193 115.001 7.192 18220 8183 1 16 . 1 1 81 81 LYS CA C 72 56.800 56.800 57.358 -0.557 18220 8184 1 16 . 1 1 81 81 LYS CB C 72 32.322 32.322 32.830 -0.508 18220 8185 1 16 . 1 1 81 81 LYS H H 72 8.090 8.090 7.991 0.099 18220 8186 1 16 . 1 1 82 82 ARG N N 73 119.650 119.650 119.592 0.058 18220 8187 1 16 . 1 1 82 82 ARG CA C 73 56.089 56.089 56.746 -0.657 18220 8188 1 16 . 1 1 82 82 ARG CB C 73 30.171 30.171 31.754 -1.583 18220 8189 1 16 . 1 1 82 82 ARG H H 73 8.052 8.052 8.614 -0.562 18220 8190 1 16 . 1 1 83 83 SER N N 74 115.734 115.734 117.506 -1.772 18220 8191 1 16 . 1 1 83 83 SER CA C 74 58.355 58.355 57.497 0.858 18220 8192 1 16 . 1 1 83 83 SER CB C 74 63.404 63.404 64.349 -0.945 18220 8193 1 16 . 1 1 83 83 SER H H 74 7.912 7.912 8.320 -0.408 18220 8194 1 16 . 1 1 84 84 LYS N N 75 122.370 122.370 121.653 0.717 18220 8195 1 16 . 1 1 84 84 LYS CA C 75 56.135 56.135 56.576 -0.441 18220 8196 1 16 . 1 1 84 84 LYS CB C 75 32.175 32.175 32.718 -0.543 18220 8197 1 16 . 1 1 84 84 LYS H H 75 8.067 8.067 8.331 -0.264 18220 8198 1 16 . 1 1 86 86 ILE N N 77 119.592 119.592 120.328 -0.736 18220 8199 1 16 . 1 1 86 86 ILE HA H 77 3.810 3.810 4.330 -0.520 18220 8200 1 16 . 1 1 86 86 ILE CA C 77 64.900 64.900 60.457 4.443 18220 8201 1 16 . 1 1 86 86 ILE CB C 77 39.145 39.145 38.043 1.102 18220 8202 1 16 . 1 1 86 86 ILE H H 77 7.837 7.837 8.372 -0.535 18220 8203 1 16 . 1 1 87 87 MET N N 78 121.645 121.645 121.632 0.013 18220 8204 1 16 . 1 1 87 87 MET CA C 78 52.982 52.982 61.589 -8.607 18220 8205 1 16 . 1 1 87 87 MET CB C 78 32.173 32.173 30.498 1.675 18220 8206 1 16 . 1 1 87 87 MET H H 78 7.950 7.950 8.558 -0.608 18220 8207 1 16 . 1 1 88 88 PRO HA H 79 4.140 4.140 4.368 -0.228 18220 8208 1 16 . 1 1 88 88 PRO C C 79 173.921 173.921 178.099 -4.178 18220 8209 1 16 . 1 1 88 88 PRO CA C 79 62.800 62.800 65.457 -2.657 18220 8210 1 16 . 1 1 88 88 PRO CB C 79 31.136 31.136 31.046 0.090 18220 8211 1 16 . 1 1 89 89 ALA N N 80 124.431 124.431 119.520 4.911 18220 8212 1 16 . 1 1 89 89 ALA HA H 80 4.400 4.400 4.119 0.281 18220 8213 1 16 . 1 1 89 89 ALA C C 80 176.234 176.234 179.610 -3.376 18220 8214 1 16 . 1 1 89 89 ALA CA C 80 53.300 53.300 54.374 -1.074 18220 8215 1 16 . 1 1 89 89 ALA CB C 80 18.498 18.498 18.399 0.099 18220 8216 1 16 . 1 1 89 89 ALA H H 80 8.320 8.320 8.467 -0.147 18220 8217 1 16 . 1 1 90 90 GLY N N 81 106.834 106.834 107.937 -1.103 18220 8218 1 16 . 1 1 90 90 GLY C C 81 172.398 172.398 175.849 -3.451 18220 8219 1 16 . 1 1 90 90 GLY CA C 81 45.600 45.600 47.494 -1.894 18220 8220 1 16 . 1 1 90 90 GLY H H 81 8.458 8.458 8.027 0.431 18220 8221 1 16 . 1 1 91 91 LEU N N 82 121.043 121.043 121.479 -0.436 18220 8222 1 16 . 1 1 91 91 LEU HA H 82 4.200 4.200 4.072 0.128 18220 8223 1 16 . 1 1 91 91 LEU C C 82 174.783 174.783 178.503 -3.720 18220 8224 1 16 . 1 1 91 91 LEU CA C 82 56.300 56.300 57.544 -1.244 18220 8225 1 16 . 1 1 91 91 LEU CB C 82 42.106 42.106 41.426 0.680 18220 8226 1 16 . 1 1 91 91 LEU H H 82 7.687 7.687 7.476 0.211 18220 8227 1 16 . 1 1 92 92 VAL N N 83 114.737 114.737 119.945 -5.208 18220 8228 1 16 . 1 1 92 92 VAL HA H 83 3.980 3.980 3.577 0.403 18220 8229 1 16 . 1 1 92 92 VAL C C 83 173.634 173.634 177.888 -4.254 18220 8230 1 16 . 1 1 92 92 VAL CA C 83 62.400 62.400 66.601 -4.201 18220 8231 1 16 . 1 1 92 92 VAL CB C 83 31.585 31.585 30.637 0.948 18220 8232 1 16 . 1 1 92 92 VAL H H 83 7.602 7.602 7.793 -0.191 18220 8233 1 16 . 1 1 93 93 ALA N N 84 124.320 124.320 121.561 2.759 18220 8234 1 16 . 1 1 93 93 ALA HA H 84 4.150 4.150 4.112 0.038 18220 8235 1 16 . 1 1 93 93 ALA C C 84 175.746 175.746 179.859 -4.113 18220 8236 1 16 . 1 1 93 93 ALA CA C 84 53.300 53.300 55.225 -1.925 18220 8237 1 16 . 1 1 93 93 ALA CB C 84 18.241 18.241 17.900 0.341 18220 8238 1 16 . 1 1 93 93 ALA H H 84 7.891 7.891 8.140 -0.249 18220 8239 1 16 . 1 1 94 94 GLY N N 85 106.807 106.807 108.060 -1.253 18220 8240 1 16 . 1 1 94 94 GLY C C 85 171.752 171.752 176.060 -4.308 18220 8241 1 16 . 1 1 94 94 GLY CA C 85 45.249 45.249 46.836 -1.587 18220 8242 1 16 . 1 1 94 94 GLY H H 85 8.204 8.204 8.071 0.133 18220 8243 1 16 . 1 1 95 95 LEU N N 86 121.266 121.266 122.232 -0.966 18220 8244 1 16 . 1 1 95 95 LEU HA H 86 4.380 4.380 3.881 0.499 18220 8245 1 16 . 1 1 95 95 LEU C C 86 173.702 173.702 179.337 -5.635 18220 8246 1 16 . 1 1 95 95 LEU CA C 86 55.000 55.000 57.989 -2.989 18220 8247 1 16 . 1 1 95 95 LEU CB C 86 42.298 42.298 41.535 0.763 18220 8248 1 16 . 1 1 95 95 LEU H H 86 7.718 7.718 8.385 -0.667 18220 8249 1 16 . 1 1 96 96 SER N N 87 115.658 115.658 114.378 1.280 18220 8250 1 16 . 1 1 96 96 SER HA H 87 4.370 4.370 4.132 0.238 18220 8251 1 16 . 1 1 96 96 SER C C 87 172.479 172.479 176.409 -3.930 18220 8252 1 16 . 1 1 96 96 SER CA C 87 57.200 57.200 61.502 -4.302 18220 8253 1 16 . 1 1 96 96 SER CB C 87 64.174 64.174 63.022 1.152 18220 8254 1 16 . 1 1 96 96 SER H H 87 7.659 7.659 8.102 -0.443 18220 8255 1 16 . 1 1 97 97 LEU N N 88 123.720 123.720 122.380 1.340 18220 8256 1 16 . 1 1 97 97 LEU HA H 88 4.600 4.600 3.977 0.623 18220 8257 1 16 . 1 1 97 97 LEU C C 88 175.932 175.932 179.159 -3.227 18220 8258 1 16 . 1 1 97 97 LEU CA C 88 57.600 57.600 58.129 -0.529 18220 8259 1 16 . 1 1 97 97 LEU CB C 88 41.400 41.400 41.325 0.075 18220 8260 1 16 . 1 1 97 97 LEU H H 88 8.733 8.733 8.146 0.587 18220 8261 1 16 . 1 1 98 98 MET N N 89 116.684 116.684 118.130 -1.446 18220 8262 1 16 . 1 1 98 98 MET HA H 89 4.280 4.280 4.089 0.191 18220 8263 1 16 . 1 1 98 98 MET C C 89 175.789 175.789 178.642 -2.853 18220 8264 1 16 . 1 1 98 98 MET CA C 89 56.915 56.915 58.425 -1.510 18220 8265 1 16 . 1 1 98 98 MET CB C 89 31.007 31.007 32.035 -1.028 18220 8266 1 16 . 1 1 98 98 MET H H 89 8.342 8.342 8.123 0.219 18220 8267 1 16 . 1 1 99 99 MET N N 90 119.182 119.182 119.783 -0.601 18220 8268 1 16 . 1 1 99 99 MET HA H 90 4.110 4.110 4.068 0.042 18220 8269 1 16 . 1 1 99 99 MET C C 90 175.588 175.588 178.270 -2.682 18220 8270 1 16 . 1 1 99 99 MET CA C 90 57.951 57.951 59.918 -1.967 18220 8271 1 16 . 1 1 99 99 MET CB C 90 32.226 32.226 32.665 -0.439 18220 8272 1 16 . 1 1 99 99 MET H H 90 7.720 7.720 8.248 -0.528 18220 8273 1 16 . 1 1 100 100 ILE N N 91 119.077 119.077 117.634 1.443 18220 8274 1 16 . 1 1 100 100 ILE HA H 91 4.110 4.110 3.618 0.492 18220 8275 1 16 . 1 1 100 100 ILE C C 91 174.634 174.634 177.660 -3.026 18220 8276 1 16 . 1 1 100 100 ILE CA C 91 64.100 64.100 64.564 -0.464 18220 8277 1 16 . 1 1 100 100 ILE CB C 91 37.143 37.143 37.059 0.084 18220 8278 1 16 . 1 1 100 100 ILE H H 91 7.662 7.662 8.056 -0.394 18220 8279 1 16 . 1 1 101 101 LEU N N 92 119.646 119.646 120.928 -1.282 18220 8280 1 16 . 1 1 101 101 LEU HA H 92 4.530 4.530 3.928 0.602 18220 8281 1 16 . 1 1 101 101 LEU C C 92 175.430 175.430 178.884 -3.454 18220 8282 1 16 . 1 1 101 101 LEU CA C 92 57.800 57.800 58.346 -0.546 18220 8283 1 16 . 1 1 101 101 LEU CB C 92 40.758 40.758 41.698 -0.940 18220 8284 1 16 . 1 1 101 101 LEU H H 92 8.142 8.142 8.029 0.113 18220 8285 1 16 . 1 1 102 102 ARG N N 93 116.394 116.394 118.265 -1.871 18220 8286 1 16 . 1 1 102 102 ARG HA H 93 4.140 4.140 3.984 0.156 18220 8287 1 16 . 1 1 102 102 ARG C C 93 175.961 175.961 178.606 -2.645 18220 8288 1 16 . 1 1 102 102 ARG CA C 93 59.100 59.100 59.171 -0.071 18220 8289 1 16 . 1 1 102 102 ARG CB C 93 29.404 29.404 30.001 -0.597 18220 8290 1 16 . 1 1 102 102 ARG H H 93 7.893 7.893 8.202 -0.309 18220 8291 1 16 . 1 1 103 103 LEU N N 94 119.114 119.114 121.063 -1.949 18220 8292 1 16 . 1 1 103 103 LEU HA H 94 4.110 4.110 3.995 0.115 18220 8293 1 16 . 1 1 103 103 LEU C C 94 175.889 175.889 178.118 -2.229 18220 8294 1 16 . 1 1 103 103 LEU CA C 94 57.300 57.300 58.269 -0.969 18220 8295 1 16 . 1 1 103 103 LEU CB C 94 41.296 41.296 41.694 -0.398 18220 8296 1 16 . 1 1 103 103 LEU H H 94 7.622 7.622 8.044 -0.422 18220 8297 1 16 . 1 1 104 104 VAL N N 95 117.704 117.704 116.385 1.319 18220 8298 1 16 . 1 1 104 104 VAL HA H 95 3.530 3.530 3.889 -0.359 18220 8299 1 16 . 1 1 104 104 VAL C C 95 175.042 175.042 178.252 -3.210 18220 8300 1 16 . 1 1 104 104 VAL CA C 95 66.419 66.419 64.731 1.688 18220 8301 1 16 . 1 1 104 104 VAL CB C 95 31.357 31.357 31.713 -0.356 18220 8302 1 16 . 1 1 104 104 VAL H H 95 8.026 8.026 7.423 0.603 18220 8303 1 16 . 1 1 105 105 LEU N N 96 117.185 117.185 122.306 -5.121 18220 8304 1 16 . 1 1 105 105 LEU HA H 96 3.980 3.980 3.957 0.023 18220 8305 1 16 . 1 1 105 105 LEU C C 96 176.579 176.579 179.390 -2.811 18220 8306 1 16 . 1 1 105 105 LEU CA C 96 56.800 56.800 58.088 -1.288 18220 8307 1 16 . 1 1 105 105 LEU CB C 96 40.951 40.951 41.774 -0.823 18220 8308 1 16 . 1 1 105 105 LEU H H 96 7.893 7.893 7.638 0.255 18220 8309 1 16 . 1 1 106 106 LEU N N 97 118.471 118.471 119.894 -1.423 18220 8310 1 16 . 1 1 106 106 LEU HA H 97 4.180 4.180 3.945 0.235 18220 8311 1 16 . 1 1 106 106 LEU C C 97 175.802 175.802 178.182 -2.380 18220 8312 1 16 . 1 1 106 106 LEU CA C 97 56.300 56.300 57.933 -1.633 18220 8313 1 16 . 1 1 106 106 LEU CB C 97 41.592 41.592 42.031 -0.439 18220 8314 1 16 . 1 1 106 106 LEU H H 97 7.545 7.545 8.264 -0.719 18220 8315 1 16 . 1 1 107 107 LEU N N 98 118.162 118.162 118.298 -0.136 18220 8316 1 16 . 1 1 107 107 LEU HA H 98 4.230 4.230 4.159 0.071 18220 8317 1 16 . 1 1 107 107 LEU C C 98 174.174 174.174 177.617 -3.443 18220 8318 1 16 . 1 1 107 107 LEU CA C 98 56.283 56.283 56.939 -0.656 18220 8319 1 16 . 1 1 107 107 LEU CB C 98 42.362 42.362 42.439 -0.077 18220 8320 1 16 . 1 1 107 107 LEU H H 98 7.688 7.688 8.334 -0.646 18220 8321 1 17 . 1 1 11 11 ASP N N 2 120.536 120.536 120.445 0.091 18220 8322 1 17 . 1 1 11 11 ASP CA C 2 55.918 55.918 54.608 1.310 18220 8323 1 17 . 1 1 11 11 ASP CB C 2 37.959 37.959 40.837 -2.878 18220 8324 1 17 . 1 1 11 11 ASP H H 2 7.863 7.863 8.389 -0.526 18220 8325 1 17 . 1 1 12 12 LEU N N 3 121.414 121.414 123.538 -2.124 18220 8326 1 17 . 1 1 12 12 LEU C C 3 176.162 176.162 175.893 0.269 18220 8327 1 17 . 1 1 12 12 LEU CA C 3 57.600 57.600 54.759 2.841 18220 8328 1 17 . 1 1 12 12 LEU CB C 3 41.657 41.657 42.719 -1.062 18220 8329 1 17 . 1 1 12 12 LEU H H 3 8.285 8.285 8.279 0.006 18220 8330 1 17 . 1 1 13 13 ILE N N 4 118.854 118.854 125.230 -6.376 18220 8331 1 17 . 1 1 13 13 ILE HA H 4 3.740 3.740 4.273 -0.533 18220 8332 1 17 . 1 1 13 13 ILE C C 4 175.228 175.228 175.674 -0.446 18220 8333 1 17 . 1 1 13 13 ILE CA C 4 64.500 64.500 61.490 3.010 18220 8334 1 17 . 1 1 13 13 ILE CB C 4 37.102 37.102 39.287 -2.185 18220 8335 1 17 . 1 1 13 13 ILE H H 4 8.031 8.031 8.428 -0.397 18220 8336 1 17 . 1 1 14 14 GLY N N 5 107.478 107.478 115.512 -8.034 18220 8337 1 17 . 1 1 14 14 GLY C C 5 174.424 174.424 174.445 -0.021 18220 8338 1 17 . 1 1 14 14 GLY CA C 5 47.059 47.059 45.371 1.688 18220 8339 1 17 . 1 1 14 14 GLY H H 5 8.148 8.148 8.630 -0.482 18220 8340 1 17 . 1 1 15 15 PHE N N 6 122.774 122.774 123.014 -0.240 18220 8341 1 17 . 1 1 15 15 PHE HA H 6 4.480 4.480 4.251 0.229 18220 8342 1 17 . 1 1 15 15 PHE C C 6 175.113 175.113 177.026 -1.913 18220 8343 1 17 . 1 1 15 15 PHE CA C 6 60.017 60.017 60.031 -0.014 18220 8344 1 17 . 1 1 15 15 PHE CB C 6 38.774 38.774 39.267 -0.493 18220 8345 1 17 . 1 1 15 15 PHE H H 6 8.194 8.194 8.563 -0.369 18220 8346 1 17 . 1 1 16 16 GLY N N 7 107.938 107.938 107.091 0.847 18220 8347 1 17 . 1 1 16 16 GLY C C 7 171.838 171.838 175.905 -4.067 18220 8348 1 17 . 1 1 16 16 GLY CA C 7 47.100 47.100 47.479 -0.379 18220 8349 1 17 . 1 1 16 16 GLY H H 7 8.697 8.697 8.591 0.106 18220 8350 1 17 . 1 1 17 17 TYR N N 8 121.785 121.785 123.219 -1.434 18220 8351 1 17 . 1 1 17 17 TYR HA H 8 4.150 4.150 4.101 0.049 18220 8352 1 17 . 1 1 17 17 TYR C C 8 174.180 174.180 177.592 -3.412 18220 8353 1 17 . 1 1 17 17 TYR CA C 8 61.300 61.300 60.932 0.368 18220 8354 1 17 . 1 1 17 17 TYR CB C 8 37.959 37.959 38.259 -0.300 18220 8355 1 17 . 1 1 17 17 TYR H H 8 8.710 8.710 8.335 0.375 18220 8356 1 17 . 1 1 18 18 ALA N N 9 120.233 120.233 120.335 -0.102 18220 8357 1 17 . 1 1 18 18 ALA HA H 9 3.950 3.950 3.955 -0.005 18220 8358 1 17 . 1 1 18 18 ALA C C 9 178.059 178.059 179.104 -1.045 18220 8359 1 17 . 1 1 18 18 ALA CA C 9 54.872 54.872 55.147 -0.275 18220 8360 1 17 . 1 1 18 18 ALA CB C 9 17.562 17.562 17.452 0.110 18220 8361 1 17 . 1 1 18 18 ALA H H 9 7.843 7.843 8.210 -0.367 18220 8362 1 17 . 1 1 19 19 ALA N N 10 121.797 121.797 121.148 0.649 18220 8363 1 17 . 1 1 19 19 ALA HA H 10 3.950 3.950 4.081 -0.131 18220 8364 1 17 . 1 1 19 19 ALA C C 10 176.191 176.191 179.388 -3.197 18220 8365 1 17 . 1 1 19 19 ALA CA C 10 54.600 54.600 54.459 0.141 18220 8366 1 17 . 1 1 19 19 ALA CB C 10 17.562 17.562 18.112 -0.550 18220 8367 1 17 . 1 1 19 19 ALA H H 10 8.212 8.212 7.684 0.528 18220 8368 1 17 . 1 1 20 20 LEU N N 11 119.442 119.442 120.595 -1.153 18220 8369 1 17 . 1 1 20 20 LEU HA H 11 3.937 3.937 4.068 -0.131 18220 8370 1 17 . 1 1 20 20 LEU C C 11 176.694 176.694 178.487 -1.793 18220 8371 1 17 . 1 1 20 20 LEU CA C 11 57.800 57.800 58.124 -0.324 18220 8372 1 17 . 1 1 20 20 LEU CB C 11 41.222 41.222 42.051 -0.829 18220 8373 1 17 . 1 1 20 20 LEU H H 11 8.065 8.065 7.865 0.200 18220 8374 1 17 . 1 1 21 21 VAL N N 12 118.323 118.323 119.078 -0.755 18220 8375 1 17 . 1 1 21 21 VAL HA H 12 3.640 3.640 3.617 0.023 18220 8376 1 17 . 1 1 21 21 VAL C C 12 176.536 176.536 178.305 -1.769 18220 8377 1 17 . 1 1 21 21 VAL CA C 12 65.400 65.400 66.381 -0.981 18220 8378 1 17 . 1 1 21 21 VAL CB C 12 31.135 31.135 30.329 0.806 18220 8379 1 17 . 1 1 21 21 VAL H H 12 8.051 8.051 8.506 -0.455 18220 8380 1 17 . 1 1 22 22 THR N N 13 118.298 118.298 116.996 1.302 18220 8381 1 17 . 1 1 22 22 THR HA H 13 4.660 4.660 3.996 0.664 18220 8382 1 17 . 1 1 22 22 THR C C 13 173.734 173.734 176.650 -2.916 18220 8383 1 17 . 1 1 22 22 THR CA C 13 66.300 66.300 66.756 -0.456 18220 8384 1 17 . 1 1 22 22 THR CB C 13 67.775 67.775 68.502 -0.727 18220 8385 1 17 . 1 1 22 22 THR H H 13 7.944 7.944 8.150 -0.206 18220 8386 1 17 . 1 1 23 23 PHE N N 14 121.328 121.328 121.430 -0.102 18220 8387 1 17 . 1 1 23 23 PHE HA H 14 4.340 4.340 4.103 0.237 18220 8388 1 17 . 1 1 23 23 PHE C C 14 174.783 174.783 177.632 -2.849 18220 8389 1 17 . 1 1 23 23 PHE CA C 14 60.500 60.500 61.741 -1.241 18220 8390 1 17 . 1 1 23 23 PHE CB C 14 38.626 38.626 38.660 -0.034 18220 8391 1 17 . 1 1 23 23 PHE H H 14 8.567 8.567 8.445 0.122 18220 8392 1 17 . 1 1 24 24 GLY N N 15 106.871 106.871 106.443 0.428 18220 8393 1 17 . 1 1 24 24 GLY C C 15 172.858 172.858 176.320 -3.462 18220 8394 1 17 . 1 1 24 24 GLY CA C 15 46.900 46.900 47.338 -0.438 18220 8395 1 17 . 1 1 24 24 GLY H H 15 8.475 8.475 8.611 -0.136 18220 8396 1 17 . 1 1 25 25 SER N N 16 116.214 116.214 118.674 -2.460 18220 8397 1 17 . 1 1 25 25 SER HA H 16 4.280 4.280 4.021 0.259 18220 8398 1 17 . 1 1 25 25 SER CA C 16 60.300 60.300 61.598 -1.298 18220 8399 1 17 . 1 1 25 25 SER CB C 16 62.879 62.879 63.217 -0.337 18220 8400 1 17 . 1 1 25 25 SER H H 16 7.963 7.963 8.253 -0.290 18220 8401 1 17 . 1 1 26 26 ILE N N 17 121.024 121.024 121.397 -0.373 18220 8402 1 17 . 1 1 26 26 ILE HA H 17 3.946 3.946 3.746 0.200 18220 8403 1 17 . 1 1 26 26 ILE C C 17 173.935 173.935 178.438 -4.503 18220 8404 1 17 . 1 1 26 26 ILE CA C 17 63.100 63.100 64.550 -1.450 18220 8405 1 17 . 1 1 26 26 ILE CB C 17 38.107 38.107 37.836 0.272 18220 8406 1 17 . 1 1 26 26 ILE H H 17 7.676 7.676 8.333 -0.657 18220 8407 1 17 . 1 1 27 27 PHE N N 18 117.142 117.142 120.556 -3.414 18220 8408 1 17 . 1 1 27 27 PHE HA H 18 4.430 4.430 4.159 0.271 18220 8409 1 17 . 1 1 27 27 PHE C C 18 173.504 173.504 177.191 -3.687 18220 8410 1 17 . 1 1 27 27 PHE CA C 18 58.500 58.500 61.041 -2.541 18220 8411 1 17 . 1 1 27 27 PHE CB C 18 38.774 38.774 38.806 -0.032 18220 8412 1 17 . 1 1 27 27 PHE H H 18 7.703 7.703 8.609 -0.906 18220 8413 1 17 . 1 1 28 28 GLY N N 19 107.303 107.303 104.253 3.050 18220 8414 1 17 . 1 1 28 28 GLY C C 19 171.593 171.593 173.809 -2.216 18220 8415 1 17 . 1 1 28 28 GLY CA C 19 45.600 45.600 44.873 0.727 18220 8416 1 17 . 1 1 28 28 GLY H H 19 7.722 7.722 7.643 0.079 18220 8417 1 17 . 1 1 29 29 TYR N N 20 119.862 119.862 120.697 -0.835 18220 8418 1 17 . 1 1 29 29 TYR HA H 20 4.392 4.392 4.086 0.306 18220 8419 1 17 . 1 1 29 29 TYR C C 20 173.174 173.174 173.911 -0.737 18220 8420 1 17 . 1 1 29 29 TYR CA C 20 58.500 58.500 58.855 -0.355 18220 8421 1 17 . 1 1 29 29 TYR CB C 20 38.404 38.404 37.633 0.771 18220 8422 1 17 . 1 1 29 29 TYR H H 20 7.880 7.880 7.887 -0.007 18220 8423 1 17 . 1 1 30 30 LYS N N 21 122.335 122.335 126.701 -4.366 18220 8424 1 17 . 1 1 30 30 LYS HA H 21 4.390 4.390 4.482 -0.092 18220 8425 1 17 . 1 1 30 30 LYS C C 21 173.547 173.547 175.789 -2.242 18220 8426 1 17 . 1 1 30 30 LYS CA C 21 55.800 55.800 55.229 0.571 18220 8427 1 17 . 1 1 30 30 LYS CB C 21 32.396 32.396 32.590 -0.194 18220 8428 1 17 . 1 1 30 30 LYS H H 21 7.934 7.934 7.980 -0.046 18220 8429 1 17 . 1 1 31 31 ARG N N 22 120.612 120.612 123.387 -2.775 18220 8430 1 17 . 1 1 31 31 ARG C C 22 173.547 173.547 174.755 -1.208 18220 8431 1 17 . 1 1 31 31 ARG CA C 22 55.834 55.834 56.694 -0.860 18220 8432 1 17 . 1 1 31 31 ARG CB C 22 30.101 30.101 29.963 0.138 18220 8433 1 17 . 1 1 31 31 ARG H H 22 7.905 7.905 8.567 -0.662 18220 8434 1 17 . 1 1 32 32 ARG N N 23 121.748 121.748 122.058 -0.310 18220 8435 1 17 . 1 1 32 32 ARG HA H 23 4.310 4.310 4.373 -0.063 18220 8436 1 17 . 1 1 32 32 ARG C C 23 173.863 173.863 175.249 -1.386 18220 8437 1 17 . 1 1 32 32 ARG CA C 23 55.800 55.800 55.720 0.080 18220 8438 1 17 . 1 1 32 32 ARG CB C 23 30.245 30.245 32.258 -2.013 18220 8439 1 17 . 1 1 32 32 ARG H H 23 8.175 8.175 8.249 -0.074 18220 8440 1 17 . 1 1 33 33 GLY N N 24 109.528 109.528 108.990 0.538 18220 8441 1 17 . 1 1 33 33 GLY C C 24 171.752 171.752 173.394 -1.642 18220 8442 1 17 . 1 1 33 33 GLY CA C 24 44.900 44.900 45.231 -0.331 18220 8443 1 17 . 1 1 33 33 GLY H H 24 8.264 8.264 8.908 -0.644 18220 8444 1 17 . 1 1 34 34 GLY N N 25 108.563 108.563 107.656 0.907 18220 8445 1 17 . 1 1 34 34 GLY C C 25 171.701 171.701 174.696 -2.995 18220 8446 1 17 . 1 1 34 34 GLY CA C 25 44.600 44.600 45.487 -0.887 18220 8447 1 17 . 1 1 34 34 GLY H H 25 8.208 8.208 9.389 -1.181 18220 8448 1 17 . 1 1 35 35 VAL N N 26 121.164 121.164 122.147 -0.983 18220 8449 1 17 . 1 1 35 35 VAL HA H 26 4.010 4.010 4.112 -0.102 18220 8450 1 17 . 1 1 35 35 VAL C C 26 175.888 175.888 174.306 1.582 18220 8451 1 17 . 1 1 35 35 VAL CA C 26 63.900 63.900 61.882 2.018 18220 8452 1 17 . 1 1 35 35 VAL CB C 26 30.690 30.690 31.663 -0.973 18220 8453 1 17 . 1 1 35 35 VAL H H 26 8.485 8.485 8.204 0.281 18220 8454 1 17 . 1 1 36 36 PRO C C 27 177.660 177.660 175.658 2.002 18220 8455 1 17 . 1 1 36 36 PRO CA C 27 61.847 61.847 63.201 -1.354 18220 8456 1 17 . 1 1 37 37 SER N N 28 116.023 116.023 115.217 0.806 18220 8457 1 17 . 1 1 37 37 SER HA H 28 4.280 4.280 4.377 -0.097 18220 8458 1 17 . 1 1 37 37 SER CA C 28 61.100 61.100 58.979 2.121 18220 8459 1 17 . 1 1 37 37 SER H H 28 7.948 7.948 8.315 -0.367 18220 8460 1 17 . 1 1 38 38 LEU N N 29 124.029 124.029 125.177 -1.148 18220 8461 1 17 . 1 1 38 38 LEU HA H 29 4.170 4.170 4.034 0.136 18220 8462 1 17 . 1 1 38 38 LEU C C 29 176.132 176.132 178.251 -2.119 18220 8463 1 17 . 1 1 38 38 LEU CA C 29 57.500 57.500 58.426 -0.926 18220 8464 1 17 . 1 1 38 38 LEU CB C 29 42.038 42.038 41.938 0.100 18220 8465 1 17 . 1 1 38 38 LEU H H 29 8.201 8.201 8.229 -0.028 18220 8466 1 17 . 1 1 39 39 ILE N N 30 117.098 117.098 118.429 -1.331 18220 8467 1 17 . 1 1 39 39 ILE HA H 30 4.370 4.370 3.681 0.689 18220 8468 1 17 . 1 1 39 39 ILE C C 30 176.478 176.478 177.588 -1.110 18220 8469 1 17 . 1 1 39 39 ILE CA C 30 63.079 63.079 64.472 -1.393 18220 8470 1 17 . 1 1 39 39 ILE CB C 30 36.973 36.973 36.935 0.038 18220 8471 1 17 . 1 1 39 39 ILE H H 30 7.662 7.662 7.549 0.113 18220 8472 1 17 . 1 1 40 40 ALA N N 31 122.447 122.447 120.893 1.554 18220 8473 1 17 . 1 1 40 40 ALA HA H 31 4.034 4.034 4.114 -0.080 18220 8474 1 17 . 1 1 40 40 ALA C C 31 177.067 177.067 179.801 -2.734 18220 8475 1 17 . 1 1 40 40 ALA CA C 31 55.962 55.962 55.428 0.534 18220 8476 1 17 . 1 1 40 40 ALA CB C 31 17.856 17.856 17.890 -0.034 18220 8477 1 17 . 1 1 40 40 ALA H H 31 8.096 8.096 7.923 0.173 18220 8478 1 17 . 1 1 41 41 GLY N N 32 104.056 104.056 106.770 -2.714 18220 8479 1 17 . 1 1 41 41 GLY C C 32 174.251 174.251 176.476 -2.225 18220 8480 1 17 . 1 1 41 41 GLY CA C 32 46.500 46.500 46.892 -0.392 18220 8481 1 17 . 1 1 41 41 GLY H H 32 8.123 8.123 7.926 0.197 18220 8482 1 17 . 1 1 42 42 LEU N N 33 123.250 123.250 123.188 0.062 18220 8483 1 17 . 1 1 42 42 LEU HA H 33 3.857 3.857 4.231 -0.374 18220 8484 1 17 . 1 1 42 42 LEU C C 33 176.033 176.033 178.499 -2.466 18220 8485 1 17 . 1 1 42 42 LEU CA C 33 56.668 56.668 57.732 -1.064 18220 8486 1 17 . 1 1 42 42 LEU CB C 33 41.721 41.721 41.822 -0.101 18220 8487 1 17 . 1 1 42 42 LEU H H 33 7.914 7.914 8.064 -0.150 18220 8488 1 17 . 1 1 43 43 PHE N N 34 119.757 119.757 120.296 -0.539 18220 8489 1 17 . 1 1 43 43 PHE HA H 34 4.200 4.200 4.173 0.027 18220 8490 1 17 . 1 1 43 43 PHE C C 34 174.374 174.374 177.658 -3.284 18220 8491 1 17 . 1 1 43 43 PHE CA C 34 59.876 59.876 62.911 -3.035 18220 8492 1 17 . 1 1 43 43 PHE CB C 34 38.834 38.834 39.453 -0.619 18220 8493 1 17 . 1 1 43 43 PHE H H 34 8.287 8.287 8.728 -0.441 18220 8494 1 17 . 1 1 44 44 VAL N N 35 117.791 117.791 119.231 -1.440 18220 8495 1 17 . 1 1 44 44 VAL HA H 35 3.610 3.610 3.774 -0.164 18220 8496 1 17 . 1 1 44 44 VAL C C 35 176.205 176.205 177.770 -1.565 18220 8497 1 17 . 1 1 44 44 VAL CA C 35 64.559 64.559 66.616 -2.057 18220 8498 1 17 . 1 1 44 44 VAL CB C 35 31.432 31.432 31.865 -0.433 18220 8499 1 17 . 1 1 44 44 VAL H H 35 8.235 8.235 8.570 -0.335 18220 8500 1 17 . 1 1 45 45 GLY N N 36 108.551 108.551 107.477 1.074 18220 8501 1 17 . 1 1 45 45 GLY C C 36 173.749 173.749 175.678 -1.929 18220 8502 1 17 . 1 1 45 45 GLY CA C 36 46.083 46.083 47.606 -1.523 18220 8503 1 17 . 1 1 45 45 GLY H H 36 8.178 8.178 8.249 -0.071 18220 8504 1 17 . 1 1 46 46 CYS N N 37 121.173 121.173 121.513 -0.340 18220 8505 1 17 . 1 1 46 46 CYS HA H 37 4.180 4.180 4.184 -0.004 18220 8506 1 17 . 1 1 46 46 CYS C C 37 173.710 173.710 176.778 -3.068 18220 8507 1 17 . 1 1 46 46 CYS CA C 37 63.000 63.000 64.497 -1.497 18220 8508 1 17 . 1 1 46 46 CYS CB C 37 60.283 60.283 27.805 32.478 18220 8509 1 17 . 1 1 46 46 CYS H H 37 8.253 8.253 7.992 0.261 18220 8510 1 17 . 1 1 47 47 LEU N N 38 120.283 120.283 121.290 -1.007 18220 8511 1 17 . 1 1 47 47 LEU HA H 38 4.060 4.060 3.754 0.306 18220 8512 1 17 . 1 1 47 47 LEU C C 38 176.679 176.679 178.008 -1.329 18220 8513 1 17 . 1 1 47 47 LEU CA C 38 56.027 56.027 58.303 -2.276 18220 8514 1 17 . 1 1 47 47 LEU CB C 38 41.464 41.464 41.996 -0.532 18220 8515 1 17 . 1 1 47 47 LEU H H 38 7.965 7.965 8.147 -0.182 18220 8516 1 17 . 1 1 48 48 ALA N N 39 122.249 122.249 119.611 2.638 18220 8517 1 17 . 1 1 48 48 ALA HA H 39 4.142 4.142 4.000 0.142 18220 8518 1 17 . 1 1 48 48 ALA C C 39 177.915 177.915 179.723 -1.808 18220 8519 1 17 . 1 1 48 48 ALA CA C 39 53.717 53.717 55.368 -1.651 18220 8520 1 17 . 1 1 48 48 ALA CB C 39 17.985 17.985 18.020 -0.035 18220 8521 1 17 . 1 1 48 48 ALA H H 39 8.066 8.066 8.411 -0.345 18220 8522 1 17 . 1 1 49 49 GLY N N 40 107.377 107.377 107.288 0.089 18220 8523 1 17 . 1 1 49 49 GLY C C 40 172.527 172.527 176.123 -3.596 18220 8524 1 17 . 1 1 49 49 GLY CA C 40 45.450 45.450 47.225 -1.775 18220 8525 1 17 . 1 1 49 49 GLY H H 40 8.172 8.172 8.369 -0.197 18220 8526 1 17 . 1 1 50 50 TYR N N 41 122.409 122.409 123.123 -0.714 18220 8527 1 17 . 1 1 50 50 TYR HA H 41 3.799 3.799 4.038 -0.239 18220 8528 1 17 . 1 1 50 50 TYR C C 41 174.208 174.208 178.613 -4.405 18220 8529 1 17 . 1 1 50 50 TYR CA C 41 59.245 59.245 61.743 -2.498 18220 8530 1 17 . 1 1 50 50 TYR CB C 41 37.936 37.936 37.945 -0.009 18220 8531 1 17 . 1 1 50 50 TYR H H 41 7.800 7.800 8.387 -0.587 18220 8532 1 17 . 1 1 51 51 GLY N N 42 106.935 106.935 106.244 0.691 18220 8533 1 17 . 1 1 51 51 GLY C C 42 172.642 172.642 175.742 -3.100 18220 8534 1 17 . 1 1 51 51 GLY CA C 42 46.265 46.265 47.055 -0.790 18220 8535 1 17 . 1 1 51 51 GLY H H 42 8.199 8.199 8.272 -0.073 18220 8536 1 17 . 1 1 52 52 ALA N N 43 123.018 123.018 124.876 -1.858 18220 8537 1 17 . 1 1 52 52 ALA HA H 43 4.150 4.150 4.111 0.039 18220 8538 1 17 . 1 1 52 52 ALA C C 43 176.398 176.398 178.919 -2.521 18220 8539 1 17 . 1 1 52 52 ALA CA C 43 52.883 52.883 54.551 -1.668 18220 8540 1 17 . 1 1 52 52 ALA CB C 43 18.241 18.241 18.259 -0.017 18220 8541 1 17 . 1 1 52 52 ALA H H 43 7.758 7.758 8.302 -0.544 18220 8542 1 17 . 1 1 53 53 TYR N N 44 119.664 119.664 118.658 1.006 18220 8543 1 17 . 1 1 53 53 TYR HA H 44 4.318 4.318 4.278 0.040 18220 8544 1 17 . 1 1 53 53 TYR C C 44 174.180 174.180 177.653 -3.473 18220 8545 1 17 . 1 1 53 53 TYR CA C 44 58.593 58.593 61.347 -2.754 18220 8546 1 17 . 1 1 53 53 TYR CB C 44 38.192 38.192 38.897 -0.705 18220 8547 1 17 . 1 1 53 53 TYR H H 44 7.920 7.920 7.945 -0.025 18220 8548 1 17 . 1 1 54 54 ARG N N 45 119.516 119.516 117.543 1.973 18220 8549 1 17 . 1 1 54 54 ARG HA H 45 3.930 3.930 4.376 -0.446 18220 8550 1 17 . 1 1 54 54 ARG C C 45 174.423 174.423 176.679 -2.256 18220 8551 1 17 . 1 1 54 54 ARG CA C 45 56.027 56.027 57.394 -1.367 18220 8552 1 17 . 1 1 54 54 ARG CB C 45 30.173 30.173 31.271 -1.099 18220 8553 1 17 . 1 1 54 54 ARG H H 45 7.956 7.956 8.200 -0.244 18220 8554 1 17 . 1 1 55 55 VAL N N 46 116.437 116.437 115.896 0.541 18220 8555 1 17 . 1 1 55 55 VAL HA H 46 4.060 4.060 4.503 -0.443 18220 8556 1 17 . 1 1 55 55 VAL C C 46 173.806 173.806 174.933 -1.127 18220 8557 1 17 . 1 1 55 55 VAL CA C 46 62.300 62.300 59.909 2.391 18220 8558 1 17 . 1 1 55 55 VAL CB C 46 31.521 31.521 33.181 -1.660 18220 8559 1 17 . 1 1 55 55 VAL H H 46 7.489 7.489 8.045 -0.556 18220 8560 1 17 . 1 1 56 56 SER N N 47 117.185 117.185 112.237 4.948 18220 8561 1 17 . 1 1 56 56 SER HA H 47 4.401 4.401 4.459 -0.058 18220 8562 1 17 . 1 1 56 56 SER C C 47 172.074 172.074 174.220 -2.146 18220 8563 1 17 . 1 1 56 56 SER CA C 47 58.133 58.133 59.718 -1.585 18220 8564 1 17 . 1 1 56 56 SER CB C 47 63.468 63.468 63.907 -0.439 18220 8565 1 17 . 1 1 56 56 SER H H 47 7.728 7.728 8.177 -0.449 18220 8566 1 17 . 1 1 57 57 ASN N N 48 121.049 121.049 119.299 1.750 18220 8567 1 17 . 1 1 57 57 ASN HA H 48 4.590 4.590 4.400 0.190 18220 8568 1 17 . 1 1 57 57 ASN CA C 48 53.600 53.600 55.491 -1.891 18220 8569 1 17 . 1 1 57 57 ASN CB C 48 38.641 38.641 38.107 0.534 18220 8570 1 17 . 1 1 57 57 ASN H H 48 8.228 8.228 8.430 -0.202 18220 8571 1 17 . 1 1 58 58 ASP N N 49 120.276 120.276 121.370 -1.094 18220 8572 1 17 . 1 1 58 58 ASP HA H 49 4.530 4.530 4.700 -0.170 18220 8573 1 17 . 1 1 58 58 ASP CA C 49 54.202 54.202 54.582 -0.380 18220 8574 1 17 . 1 1 58 58 ASP CB C 49 40.374 40.374 41.152 -0.778 18220 8575 1 17 . 1 1 58 58 ASP H H 49 8.192 8.192 8.262 -0.070 18220 8576 1 17 . 1 1 59 59 LYS N N 50 120.660 120.660 120.610 0.050 18220 8577 1 17 . 1 1 59 59 LYS HA H 50 4.200 4.200 4.339 -0.139 18220 8578 1 17 . 1 1 59 59 LYS C C 50 173.474 173.474 174.783 -1.309 18220 8579 1 17 . 1 1 59 59 LYS CA C 50 56.300 56.300 55.956 0.344 18220 8580 1 17 . 1 1 59 59 LYS CB C 50 32.034 32.034 34.986 -2.952 18220 8581 1 17 . 1 1 59 59 LYS H H 50 8.003 8.003 7.997 0.006 18220 8582 1 17 . 1 1 60 60 ARG N N 51 121.278 121.278 121.130 0.148 18220 8583 1 17 . 1 1 60 60 ARG HA H 51 4.200 4.200 4.375 -0.175 18220 8584 1 17 . 1 1 60 60 ARG C C 51 173.303 173.303 175.024 -1.721 18220 8585 1 17 . 1 1 60 60 ARG CA C 51 56.283 56.283 55.848 0.435 18220 8586 1 17 . 1 1 60 60 ARG CB C 51 30.238 30.238 31.068 -0.830 18220 8587 1 17 . 1 1 60 60 ARG H H 51 8.091 8.091 8.199 -0.108 18220 8588 1 17 . 1 1 61 61 ASP N N 52 121.185 121.185 119.913 1.272 18220 8589 1 17 . 1 1 61 61 ASP HA H 52 4.615 4.615 4.900 -0.285 18220 8590 1 17 . 1 1 61 61 ASP C C 52 173.777 173.777 175.542 -1.765 18220 8591 1 17 . 1 1 61 61 ASP CA C 52 53.979 53.979 53.804 0.175 18220 8592 1 17 . 1 1 61 61 ASP CB C 52 40.245 40.245 41.026 -0.781 18220 8593 1 17 . 1 1 61 61 ASP H H 52 8.261 8.261 8.380 -0.119 18220 8594 1 17 . 1 1 62 62 VAL N N 53 121.902 121.902 119.328 2.574 18220 8595 1 17 . 1 1 62 62 VAL HA H 53 3.950 3.950 4.176 -0.226 18220 8596 1 17 . 1 1 62 62 VAL C C 53 173.279 173.279 177.132 -3.853 18220 8597 1 17 . 1 1 62 62 VAL CA C 53 63.176 63.176 63.063 0.113 18220 8598 1 17 . 1 1 62 62 VAL CB C 53 32.099 32.099 33.236 -1.137 18220 8599 1 17 . 1 1 62 62 VAL H H 53 7.997 7.997 7.639 0.358 18220 8600 1 17 . 1 1 63 63 LYS N N 54 123.522 123.522 121.309 2.213 18220 8601 1 17 . 1 1 63 63 LYS HA H 54 4.260 4.260 4.210 0.050 18220 8602 1 17 . 1 1 63 63 LYS C C 54 174.481 174.481 178.364 -3.883 18220 8603 1 17 . 1 1 63 63 LYS CA C 54 56.347 56.347 59.449 -3.102 18220 8604 1 17 . 1 1 63 63 LYS CB C 54 32.099 32.099 31.935 0.164 18220 8605 1 17 . 1 1 63 63 LYS H H 54 8.054 8.054 8.407 -0.353 18220 8606 1 17 . 1 1 64 64 VAL N N 55 120.647 120.647 116.824 3.823 18220 8607 1 17 . 1 1 64 64 VAL HA H 55 3.947 3.947 3.561 0.386 18220 8608 1 17 . 1 1 64 64 VAL C C 55 174.955 174.955 177.831 -2.876 18220 8609 1 17 . 1 1 64 64 VAL CA C 55 64.600 64.600 65.536 -0.936 18220 8610 1 17 . 1 1 64 64 VAL CB C 55 31.877 31.877 30.829 1.048 18220 8611 1 17 . 1 1 64 64 VAL H H 55 8.225 8.225 7.996 0.229 18220 8612 1 17 . 1 1 65 65 SER N N 56 117.785 117.785 115.721 2.064 18220 8613 1 17 . 1 1 65 65 SER HA H 56 4.390 4.390 4.084 0.306 18220 8614 1 17 . 1 1 65 65 SER C C 56 172.300 172.300 176.715 -4.415 18220 8615 1 17 . 1 1 65 65 SER CA C 56 60.000 60.000 62.034 -2.034 18220 8616 1 17 . 1 1 65 65 SER CB C 56 62.879 62.879 63.112 -0.233 18220 8617 1 17 . 1 1 65 65 SER H H 56 8.260 8.260 7.738 0.522 18220 8618 1 17 . 1 1 66 66 LEU N N 57 123.318 123.318 121.421 1.897 18220 8619 1 17 . 1 1 66 66 LEU HA H 57 4.090 4.090 4.114 -0.024 18220 8620 1 17 . 1 1 66 66 LEU C C 57 175.932 175.932 178.660 -2.728 18220 8621 1 17 . 1 1 66 66 LEU CA C 57 57.502 57.502 58.089 -0.587 18220 8622 1 17 . 1 1 66 66 LEU CB C 57 41.721 41.721 42.121 -0.400 18220 8623 1 17 . 1 1 66 66 LEU H H 57 8.091 8.091 7.963 0.128 18220 8624 1 17 . 1 1 67 67 PHE N N 58 118.020 118.020 118.623 -0.603 18220 8625 1 17 . 1 1 67 67 PHE HA H 58 4.330 4.330 4.263 0.067 18220 8626 1 17 . 1 1 67 67 PHE C C 58 174.912 174.912 177.875 -2.963 18220 8627 1 17 . 1 1 67 67 PHE CA C 58 60.600 60.600 61.770 -1.169 18220 8628 1 17 . 1 1 67 67 PHE CB C 58 38.552 38.552 39.055 -0.503 18220 8629 1 17 . 1 1 67 67 PHE H H 58 8.066 8.066 7.743 0.323 18220 8630 1 17 . 1 1 68 68 THR N N 59 115.324 115.324 116.567 -1.243 18220 8631 1 17 . 1 1 68 68 THR HA H 59 4.310 4.310 4.130 0.180 18220 8632 1 17 . 1 1 68 68 THR C C 59 173.380 173.380 176.405 -3.025 18220 8633 1 17 . 1 1 68 68 THR CA C 59 66.313 66.313 67.363 -1.050 18220 8634 1 17 . 1 1 68 68 THR CB C 59 67.700 67.700 68.908 -1.208 18220 8635 1 17 . 1 1 68 68 THR H H 59 8.287 8.287 8.336 -0.049 18220 8636 1 17 . 1 1 69 69 ALA N N 60 123.621 123.621 124.443 -0.822 18220 8637 1 17 . 1 1 69 69 ALA HA H 60 4.280 4.280 4.140 0.140 18220 8638 1 17 . 1 1 69 69 ALA C C 60 176.978 176.978 179.152 -2.174 18220 8639 1 17 . 1 1 69 69 ALA CA C 60 55.100 55.100 55.361 -0.261 18220 8640 1 17 . 1 1 69 69 ALA CB C 60 17.728 17.728 18.088 -0.360 18220 8641 1 17 . 1 1 69 69 ALA H H 60 7.983 7.983 8.299 -0.316 18220 8642 1 17 . 1 1 70 70 PHE N N 61 118.520 118.520 119.811 -1.291 18220 8643 1 17 . 1 1 70 70 PHE HA H 61 4.260 4.260 4.101 0.159 18220 8644 1 17 . 1 1 70 70 PHE C C 61 175.369 175.369 177.312 -1.943 18220 8645 1 17 . 1 1 70 70 PHE CA C 61 60.179 60.179 61.592 -1.413 18220 8646 1 17 . 1 1 70 70 PHE CB C 61 38.706 38.706 38.975 -0.269 18220 8647 1 17 . 1 1 70 70 PHE H H 61 8.007 8.007 8.307 -0.300 18220 8648 1 17 . 1 1 71 71 PHE N N 62 122.314 122.314 119.378 2.936 18220 8649 1 17 . 1 1 71 71 PHE HA H 62 4.000 4.000 4.353 -0.353 18220 8650 1 17 . 1 1 71 71 PHE C C 62 174.697 174.697 177.653 -2.956 18220 8651 1 17 . 1 1 71 71 PHE CA C 62 60.517 60.517 60.738 -0.221 18220 8652 1 17 . 1 1 71 71 PHE CB C 62 38.770 38.770 39.092 -0.322 18220 8653 1 17 . 1 1 71 71 PHE H H 62 8.546 8.546 8.272 0.274 18220 8654 1 17 . 1 1 72 72 LEU N N 63 119.399 119.399 121.473 -2.074 18220 8655 1 17 . 1 1 72 72 LEU HA H 63 3.870 3.870 3.829 0.041 18220 8656 1 17 . 1 1 72 72 LEU C C 63 175.774 175.774 178.521 -2.747 18220 8657 1 17 . 1 1 72 72 LEU CA C 63 56.925 56.925 57.598 -0.673 18220 8658 1 17 . 1 1 72 72 LEU CB C 63 41.207 41.207 40.719 0.488 18220 8659 1 17 . 1 1 72 72 LEU H H 63 8.396 8.396 8.480 -0.084 18220 8660 1 17 . 1 1 73 73 ALA N N 64 120.221 120.221 120.992 -0.771 18220 8661 1 17 . 1 1 73 73 ALA HA H 64 3.960 3.960 3.840 0.120 18220 8662 1 17 . 1 1 73 73 ALA C C 64 177.267 177.267 179.513 -2.246 18220 8663 1 17 . 1 1 73 73 ALA CA C 64 54.600 54.600 55.298 -0.698 18220 8664 1 17 . 1 1 73 73 ALA CB C 64 17.784 17.784 18.008 -0.224 18220 8665 1 17 . 1 1 73 73 ALA H H 64 8.025 8.025 8.397 -0.372 18220 8666 1 17 . 1 1 74 74 THR N N 65 113.648 113.648 114.140 -0.492 18220 8667 1 17 . 1 1 74 74 THR HA H 65 3.980 3.980 3.997 -0.017 18220 8668 1 17 . 1 1 74 74 THR CA C 65 66.291 66.291 66.228 0.063 18220 8669 1 17 . 1 1 74 74 THR CB C 65 67.914 67.914 68.563 -0.649 18220 8670 1 17 . 1 1 74 74 THR H H 65 7.717 7.717 8.018 -0.301 18220 8671 1 17 . 1 1 75 75 ILE N N 66 120.291 120.291 119.494 0.797 18220 8672 1 17 . 1 1 75 75 ILE HA H 66 3.740 3.740 3.701 0.039 18220 8673 1 17 . 1 1 75 75 ILE C C 66 174.951 174.951 176.957 -2.006 18220 8674 1 17 . 1 1 75 75 ILE CA C 66 64.880 64.880 63.610 1.270 18220 8675 1 17 . 1 1 75 75 ILE CB C 66 37.166 37.166 37.855 -0.689 18220 8676 1 17 . 1 1 75 75 ILE H H 66 7.738 7.738 7.730 0.008 18220 8677 1 17 . 1 1 76 76 MET N N 67 117.618 117.618 118.353 -0.735 18220 8678 1 17 . 1 1 76 76 MET HA H 67 4.220 4.220 4.215 0.005 18220 8679 1 17 . 1 1 76 76 MET C C 67 175.142 175.142 177.278 -2.136 18220 8680 1 17 . 1 1 76 76 MET CA C 67 56.723 56.723 58.169 -1.446 18220 8681 1 17 . 1 1 76 76 MET CB C 67 31.951 31.951 33.364 -1.413 18220 8682 1 17 . 1 1 76 76 MET H H 67 7.823 7.823 8.057 -0.234 18220 8683 1 17 . 1 1 77 77 GLY N N 68 107.110 107.110 104.683 2.427 18220 8684 1 17 . 1 1 77 77 GLY C C 68 172.260 172.260 172.910 -0.650 18220 8685 1 17 . 1 1 77 77 GLY CA C 68 45.800 45.800 45.172 0.628 18220 8686 1 17 . 1 1 77 77 GLY H H 68 7.937 7.937 8.384 -0.447 18220 8687 1 17 . 1 1 78 78 VAL N N 69 120.431 120.431 115.282 5.149 18220 8688 1 17 . 1 1 78 78 VAL HA H 69 4.220 4.220 4.505 -0.285 18220 8689 1 17 . 1 1 78 78 VAL CA C 69 63.900 63.900 59.937 3.963 18220 8690 1 17 . 1 1 78 78 VAL CB C 69 31.506 31.506 34.297 -2.791 18220 8691 1 17 . 1 1 78 78 VAL H H 69 7.697 7.697 7.708 -0.011 18220 8692 1 17 . 1 1 79 79 ARG N N 70 121.420 121.420 121.828 -0.408 18220 8693 1 17 . 1 1 79 79 ARG HA H 70 3.810 3.810 4.013 -0.203 18220 8694 1 17 . 1 1 79 79 ARG CA C 70 56.400 56.400 57.808 -1.408 18220 8695 1 17 . 1 1 79 79 ARG CB C 70 30.097 30.097 29.934 0.163 18220 8696 1 17 . 1 1 79 79 ARG H H 70 7.889 7.889 8.221 -0.332 18220 8697 1 17 . 1 1 80 80 PHE N N 71 119.949 119.949 120.321 -0.372 18220 8698 1 17 . 1 1 80 80 PHE HA H 71 4.510 4.510 4.248 0.262 18220 8699 1 17 . 1 1 80 80 PHE CA C 71 58.600 58.600 59.289 -0.689 18220 8700 1 17 . 1 1 80 80 PHE CB C 71 39.145 39.145 39.552 -0.407 18220 8701 1 17 . 1 1 80 80 PHE H H 71 8.101 8.101 8.069 0.032 18220 8702 1 17 . 1 1 81 81 LYS N N 72 122.193 122.193 122.007 0.186 18220 8703 1 17 . 1 1 81 81 LYS CA C 72 56.800 56.800 55.433 1.367 18220 8704 1 17 . 1 1 81 81 LYS CB C 72 32.322 32.322 34.274 -1.952 18220 8705 1 17 . 1 1 81 81 LYS H H 72 8.090 8.090 7.995 0.095 18220 8706 1 17 . 1 1 82 82 ARG N N 73 119.650 119.650 123.006 -3.356 18220 8707 1 17 . 1 1 82 82 ARG CA C 73 56.089 56.089 56.662 -0.573 18220 8708 1 17 . 1 1 82 82 ARG CB C 73 30.171 30.171 30.470 -0.299 18220 8709 1 17 . 1 1 82 82 ARG H H 73 8.052 8.052 8.529 -0.477 18220 8710 1 17 . 1 1 83 83 SER N N 74 115.734 115.734 117.723 -1.989 18220 8711 1 17 . 1 1 83 83 SER CA C 74 58.355 58.355 57.887 0.468 18220 8712 1 17 . 1 1 83 83 SER CB C 74 63.404 63.404 64.214 -0.810 18220 8713 1 17 . 1 1 83 83 SER H H 74 7.912 7.912 8.327 -0.415 18220 8714 1 17 . 1 1 84 84 LYS N N 75 122.370 122.370 120.352 2.018 18220 8715 1 17 . 1 1 84 84 LYS CA C 75 56.135 56.135 55.930 0.205 18220 8716 1 17 . 1 1 84 84 LYS CB C 75 32.175 32.175 33.775 -1.600 18220 8717 1 17 . 1 1 84 84 LYS H H 75 8.067 8.067 8.562 -0.495 18220 8718 1 17 . 1 1 86 86 ILE N N 77 119.592 119.592 122.905 -3.313 18220 8719 1 17 . 1 1 86 86 ILE HA H 77 3.810 3.810 4.015 -0.205 18220 8720 1 17 . 1 1 86 86 ILE CA C 77 64.900 64.900 61.686 3.214 18220 8721 1 17 . 1 1 86 86 ILE CB C 77 39.145 39.145 36.926 2.219 18220 8722 1 17 . 1 1 86 86 ILE H H 77 7.837 7.837 8.261 -0.424 18220 8723 1 17 . 1 1 87 87 MET N N 78 121.645 121.645 123.832 -2.187 18220 8724 1 17 . 1 1 87 87 MET CA C 78 52.982 52.982 53.778 -0.796 18220 8725 1 17 . 1 1 87 87 MET CB C 78 32.173 32.173 36.285 -4.112 18220 8726 1 17 . 1 1 87 87 MET H H 78 7.950 7.950 8.027 -0.077 18220 8727 1 17 . 1 1 88 88 PRO HA H 79 4.140 4.140 4.693 -0.553 18220 8728 1 17 . 1 1 88 88 PRO C C 79 173.921 173.921 175.989 -2.068 18220 8729 1 17 . 1 1 88 88 PRO CA C 79 62.800 62.800 62.938 -0.139 18220 8730 1 17 . 1 1 88 88 PRO CB C 79 31.136 31.136 29.557 1.579 18220 8731 1 17 . 1 1 89 89 ALA N N 80 124.431 124.431 124.096 0.335 18220 8732 1 17 . 1 1 89 89 ALA HA H 80 4.400 4.400 4.139 0.261 18220 8733 1 17 . 1 1 89 89 ALA C C 80 176.234 176.234 179.158 -2.924 18220 8734 1 17 . 1 1 89 89 ALA CA C 80 53.300 53.300 54.974 -1.674 18220 8735 1 17 . 1 1 89 89 ALA CB C 80 18.498 18.498 19.001 -0.503 18220 8736 1 17 . 1 1 89 89 ALA H H 80 8.320 8.320 8.290 0.030 18220 8737 1 17 . 1 1 90 90 GLY N N 81 106.834 106.834 108.053 -1.219 18220 8738 1 17 . 1 1 90 90 GLY C C 81 172.398 172.398 175.788 -3.390 18220 8739 1 17 . 1 1 90 90 GLY CA C 81 45.600 45.600 47.472 -1.872 18220 8740 1 17 . 1 1 90 90 GLY H H 81 8.458 8.458 8.587 -0.129 18220 8741 1 17 . 1 1 91 91 LEU N N 82 121.043 121.043 121.354 -0.311 18220 8742 1 17 . 1 1 91 91 LEU HA H 82 4.200 4.200 3.953 0.247 18220 8743 1 17 . 1 1 91 91 LEU C C 82 174.783 174.783 178.713 -3.930 18220 8744 1 17 . 1 1 91 91 LEU CA C 82 56.300 56.300 57.820 -1.520 18220 8745 1 17 . 1 1 91 91 LEU CB C 82 42.106 42.106 42.114 -0.008 18220 8746 1 17 . 1 1 91 91 LEU H H 82 7.687 7.687 7.764 -0.077 18220 8747 1 17 . 1 1 92 92 VAL N N 83 114.737 114.737 117.965 -3.228 18220 8748 1 17 . 1 1 92 92 VAL HA H 83 3.980 3.980 3.518 0.462 18220 8749 1 17 . 1 1 92 92 VAL C C 83 173.634 173.634 177.795 -4.161 18220 8750 1 17 . 1 1 92 92 VAL CA C 83 62.400 62.400 66.144 -3.744 18220 8751 1 17 . 1 1 92 92 VAL CB C 83 31.585 31.585 31.216 0.369 18220 8752 1 17 . 1 1 92 92 VAL H H 83 7.602 7.602 7.828 -0.226 18220 8753 1 17 . 1 1 93 93 ALA N N 84 124.320 124.320 121.449 2.871 18220 8754 1 17 . 1 1 93 93 ALA HA H 84 4.150 4.150 4.096 0.054 18220 8755 1 17 . 1 1 93 93 ALA C C 84 175.746 175.746 179.731 -3.985 18220 8756 1 17 . 1 1 93 93 ALA CA C 84 53.300 53.300 55.227 -1.927 18220 8757 1 17 . 1 1 93 93 ALA CB C 84 18.241 18.241 18.060 0.181 18220 8758 1 17 . 1 1 93 93 ALA H H 84 7.891 7.891 8.174 -0.283 18220 8759 1 17 . 1 1 94 94 GLY N N 85 106.807 106.807 108.201 -1.394 18220 8760 1 17 . 1 1 94 94 GLY C C 85 171.752 171.752 175.671 -3.919 18220 8761 1 17 . 1 1 94 94 GLY CA C 85 45.249 45.249 46.707 -1.458 18220 8762 1 17 . 1 1 94 94 GLY H H 85 8.204 8.204 8.290 -0.086 18220 8763 1 17 . 1 1 95 95 LEU N N 86 121.266 121.266 122.673 -1.407 18220 8764 1 17 . 1 1 95 95 LEU HA H 86 4.380 4.380 3.959 0.421 18220 8765 1 17 . 1 1 95 95 LEU C C 86 173.702 173.702 178.636 -4.934 18220 8766 1 17 . 1 1 95 95 LEU CA C 86 55.000 55.000 57.856 -2.856 18220 8767 1 17 . 1 1 95 95 LEU CB C 86 42.298 42.298 41.679 0.619 18220 8768 1 17 . 1 1 95 95 LEU H H 86 7.718 7.718 8.163 -0.445 18220 8769 1 17 . 1 1 96 96 SER N N 87 115.658 115.658 114.933 0.725 18220 8770 1 17 . 1 1 96 96 SER HA H 87 4.370 4.370 4.134 0.236 18220 8771 1 17 . 1 1 96 96 SER C C 87 172.479 172.479 176.720 -4.241 18220 8772 1 17 . 1 1 96 96 SER CA C 87 57.200 57.200 61.906 -4.706 18220 8773 1 17 . 1 1 96 96 SER CB C 87 64.174 64.174 63.164 1.010 18220 8774 1 17 . 1 1 96 96 SER H H 87 7.659 7.659 8.026 -0.367 18220 8775 1 17 . 1 1 97 97 LEU N N 88 123.720 123.720 122.518 1.202 18220 8776 1 17 . 1 1 97 97 LEU HA H 88 4.600 4.600 3.992 0.608 18220 8777 1 17 . 1 1 97 97 LEU C C 88 175.932 175.932 179.102 -3.170 18220 8778 1 17 . 1 1 97 97 LEU CA C 88 57.600 57.600 57.900 -0.300 18220 8779 1 17 . 1 1 97 97 LEU CB C 88 41.400 41.400 41.270 0.130 18220 8780 1 17 . 1 1 97 97 LEU H H 88 8.733 8.733 8.169 0.564 18220 8781 1 17 . 1 1 98 98 MET N N 89 116.684 116.684 118.681 -1.997 18220 8782 1 17 . 1 1 98 98 MET HA H 89 4.280 4.280 4.083 0.197 18220 8783 1 17 . 1 1 98 98 MET C C 89 175.789 175.789 178.613 -2.824 18220 8784 1 17 . 1 1 98 98 MET CA C 89 56.915 56.915 58.368 -1.453 18220 8785 1 17 . 1 1 98 98 MET CB C 89 31.007 31.007 32.354 -1.347 18220 8786 1 17 . 1 1 98 98 MET H H 89 8.342 8.342 8.303 0.039 18220 8787 1 17 . 1 1 99 99 MET N N 90 119.182 119.182 119.699 -0.517 18220 8788 1 17 . 1 1 99 99 MET HA H 90 4.110 4.110 4.016 0.094 18220 8789 1 17 . 1 1 99 99 MET C C 90 175.588 175.588 178.672 -3.084 18220 8790 1 17 . 1 1 99 99 MET CA C 90 57.951 57.951 59.672 -1.720 18220 8791 1 17 . 1 1 99 99 MET CB C 90 32.226 32.226 32.454 -0.228 18220 8792 1 17 . 1 1 99 99 MET H H 90 7.720 7.720 7.963 -0.243 18220 8793 1 17 . 1 1 100 100 ILE N N 91 119.077 119.077 119.798 -0.721 18220 8794 1 17 . 1 1 100 100 ILE HA H 91 4.110 4.110 3.703 0.407 18220 8795 1 17 . 1 1 100 100 ILE C C 91 174.634 174.634 178.385 -3.751 18220 8796 1 17 . 1 1 100 100 ILE CA C 91 64.100 64.100 64.388 -0.288 18220 8797 1 17 . 1 1 100 100 ILE CB C 91 37.143 37.143 36.588 0.555 18220 8798 1 17 . 1 1 100 100 ILE H H 91 7.662 7.662 8.298 -0.636 18220 8799 1 17 . 1 1 101 101 LEU N N 92 119.646 119.646 119.770 -0.124 18220 8800 1 17 . 1 1 101 101 LEU HA H 92 4.530 4.530 3.981 0.549 18220 8801 1 17 . 1 1 101 101 LEU C C 92 175.430 175.430 179.546 -4.116 18220 8802 1 17 . 1 1 101 101 LEU CA C 92 57.800 57.800 57.851 -0.051 18220 8803 1 17 . 1 1 101 101 LEU CB C 92 40.758 40.758 40.779 -0.021 18220 8804 1 17 . 1 1 101 101 LEU H H 92 8.142 8.142 8.229 -0.087 18220 8805 1 17 . 1 1 102 102 ARG N N 93 116.394 116.394 119.230 -2.836 18220 8806 1 17 . 1 1 102 102 ARG HA H 93 4.140 4.140 4.121 0.019 18220 8807 1 17 . 1 1 102 102 ARG C C 93 175.961 175.961 178.760 -2.799 18220 8808 1 17 . 1 1 102 102 ARG CA C 93 59.100 59.100 58.678 0.421 18220 8809 1 17 . 1 1 102 102 ARG CB C 93 29.404 29.404 29.844 -0.440 18220 8810 1 17 . 1 1 102 102 ARG H H 93 7.893 7.893 7.943 -0.050 18220 8811 1 17 . 1 1 103 103 LEU N N 94 119.114 119.114 120.952 -1.838 18220 8812 1 17 . 1 1 103 103 LEU HA H 94 4.110 4.110 3.996 0.114 18220 8813 1 17 . 1 1 103 103 LEU C C 94 175.889 175.889 179.147 -3.258 18220 8814 1 17 . 1 1 103 103 LEU CA C 94 57.300 57.300 58.677 -1.377 18220 8815 1 17 . 1 1 103 103 LEU CB C 94 41.296 41.296 41.766 -0.470 18220 8816 1 17 . 1 1 103 103 LEU H H 94 7.622 7.622 8.056 -0.434 18220 8817 1 17 . 1 1 104 104 VAL N N 95 117.704 117.704 118.963 -1.259 18220 8818 1 17 . 1 1 104 104 VAL HA H 95 3.530 3.530 3.615 -0.085 18220 8819 1 17 . 1 1 104 104 VAL C C 95 175.042 175.042 178.217 -3.175 18220 8820 1 17 . 1 1 104 104 VAL CA C 95 66.419 66.419 66.165 0.254 18220 8821 1 17 . 1 1 104 104 VAL CB C 95 31.357 31.357 31.198 0.159 18220 8822 1 17 . 1 1 104 104 VAL H H 95 8.026 8.026 7.553 0.473 18220 8823 1 17 . 1 1 105 105 LEU N N 96 117.185 117.185 119.203 -2.018 18220 8824 1 17 . 1 1 105 105 LEU HA H 96 3.980 3.980 3.925 0.055 18220 8825 1 17 . 1 1 105 105 LEU C C 96 176.579 176.579 178.658 -2.079 18220 8826 1 17 . 1 1 105 105 LEU CA C 96 56.800 56.800 57.816 -1.016 18220 8827 1 17 . 1 1 105 105 LEU CB C 96 40.951 40.951 41.730 -0.779 18220 8828 1 17 . 1 1 105 105 LEU H H 96 7.893 7.893 7.727 0.166 18220 8829 1 17 . 1 1 106 106 LEU N N 97 118.471 118.471 120.215 -1.744 18220 8830 1 17 . 1 1 106 106 LEU HA H 97 4.180 4.180 3.949 0.231 18220 8831 1 17 . 1 1 106 106 LEU C C 97 175.802 175.802 178.442 -2.640 18220 8832 1 17 . 1 1 106 106 LEU CA C 97 56.300 56.300 57.661 -1.361 18220 8833 1 17 . 1 1 106 106 LEU CB C 97 41.592 41.592 42.194 -0.603 18220 8834 1 17 . 1 1 106 106 LEU H H 97 7.545 7.545 7.766 -0.221 18220 8835 1 17 . 1 1 107 107 LEU N N 98 118.162 118.162 119.017 -0.855 18220 8836 1 17 . 1 1 107 107 LEU HA H 98 4.230 4.230 4.026 0.204 18220 8837 1 17 . 1 1 107 107 LEU C C 98 174.174 174.174 177.945 -3.771 18220 8838 1 17 . 1 1 107 107 LEU CA C 98 56.283 56.283 56.676 -0.393 18220 8839 1 17 . 1 1 107 107 LEU CB C 98 42.362 42.362 42.519 -0.157 18220 8840 1 17 . 1 1 107 107 LEU H H 98 7.688 7.688 8.090 -0.402 18220 8841 1 18 . 1 1 11 11 ASP N N 2 120.536 120.536 121.581 -1.045 18220 8842 1 18 . 1 1 11 11 ASP CA C 2 55.918 55.918 53.737 2.181 18220 8843 1 18 . 1 1 11 11 ASP CB C 2 37.959 37.959 42.840 -4.881 18220 8844 1 18 . 1 1 11 11 ASP H H 2 7.863 7.863 8.313 -0.450 18220 8845 1 18 . 1 1 12 12 LEU N N 3 121.414 121.414 121.923 -0.509 18220 8846 1 18 . 1 1 12 12 LEU C C 3 176.162 176.162 176.161 0.001 18220 8847 1 18 . 1 1 12 12 LEU CA C 3 57.600 57.600 55.163 2.437 18220 8848 1 18 . 1 1 12 12 LEU CB C 3 41.657 41.657 44.040 -2.383 18220 8849 1 18 . 1 1 12 12 LEU H H 3 8.285 8.285 8.372 -0.087 18220 8850 1 18 . 1 1 13 13 ILE N N 4 118.854 118.854 121.363 -2.509 18220 8851 1 18 . 1 1 13 13 ILE HA H 4 3.740 3.740 4.508 -0.768 18220 8852 1 18 . 1 1 13 13 ILE C C 4 175.228 175.228 176.040 -0.812 18220 8853 1 18 . 1 1 13 13 ILE CA C 4 64.500 64.500 60.087 4.413 18220 8854 1 18 . 1 1 13 13 ILE CB C 4 37.102 37.102 38.260 -1.158 18220 8855 1 18 . 1 1 13 13 ILE H H 4 8.031 8.031 8.621 -0.590 18220 8856 1 18 . 1 1 14 14 GLY N N 5 107.478 107.478 109.660 -2.182 18220 8857 1 18 . 1 1 14 14 GLY C C 5 174.424 174.424 173.984 0.440 18220 8858 1 18 . 1 1 14 14 GLY CA C 5 47.059 47.059 44.525 2.534 18220 8859 1 18 . 1 1 14 14 GLY H H 5 8.148 8.148 7.981 0.167 18220 8860 1 18 . 1 1 15 15 PHE N N 6 122.774 122.774 123.380 -0.606 18220 8861 1 18 . 1 1 15 15 PHE HA H 6 4.480 4.480 4.652 -0.172 18220 8862 1 18 . 1 1 15 15 PHE C C 6 175.113 175.113 176.643 -1.530 18220 8863 1 18 . 1 1 15 15 PHE CA C 6 60.017 60.017 59.084 0.933 18220 8864 1 18 . 1 1 15 15 PHE CB C 6 38.774 38.774 39.224 -0.450 18220 8865 1 18 . 1 1 15 15 PHE H H 6 8.194 8.194 8.687 -0.493 18220 8866 1 18 . 1 1 16 16 GLY N N 7 107.938 107.938 107.599 0.339 18220 8867 1 18 . 1 1 16 16 GLY C C 7 171.838 171.838 175.860 -4.022 18220 8868 1 18 . 1 1 16 16 GLY CA C 7 47.100 47.100 47.600 -0.500 18220 8869 1 18 . 1 1 16 16 GLY H H 7 8.697 8.697 8.483 0.214 18220 8870 1 18 . 1 1 17 17 TYR N N 8 121.785 121.785 122.712 -0.927 18220 8871 1 18 . 1 1 17 17 TYR HA H 8 4.150 4.150 4.068 0.082 18220 8872 1 18 . 1 1 17 17 TYR C C 8 174.180 174.180 177.313 -3.133 18220 8873 1 18 . 1 1 17 17 TYR CA C 8 61.300 61.300 60.926 0.374 18220 8874 1 18 . 1 1 17 17 TYR CB C 8 37.959 37.959 37.902 0.057 18220 8875 1 18 . 1 1 17 17 TYR H H 8 8.710 8.710 8.011 0.699 18220 8876 1 18 . 1 1 18 18 ALA N N 9 120.233 120.233 121.168 -0.935 18220 8877 1 18 . 1 1 18 18 ALA HA H 9 3.950 3.950 3.875 0.075 18220 8878 1 18 . 1 1 18 18 ALA C C 9 178.059 178.059 178.876 -0.817 18220 8879 1 18 . 1 1 18 18 ALA CA C 9 54.872 54.872 55.035 -0.163 18220 8880 1 18 . 1 1 18 18 ALA CB C 9 17.562 17.562 17.772 -0.210 18220 8881 1 18 . 1 1 18 18 ALA H H 9 7.843 7.843 8.096 -0.253 18220 8882 1 18 . 1 1 19 19 ALA N N 10 121.797 121.797 120.783 1.014 18220 8883 1 18 . 1 1 19 19 ALA HA H 10 3.950 3.950 4.058 -0.108 18220 8884 1 18 . 1 1 19 19 ALA C C 10 176.191 176.191 179.647 -3.456 18220 8885 1 18 . 1 1 19 19 ALA CA C 10 54.600 54.600 54.617 -0.018 18220 8886 1 18 . 1 1 19 19 ALA CB C 10 17.562 17.562 18.066 -0.504 18220 8887 1 18 . 1 1 19 19 ALA H H 10 8.212 8.212 7.673 0.539 18220 8888 1 18 . 1 1 20 20 LEU N N 11 119.442 119.442 120.800 -1.358 18220 8889 1 18 . 1 1 20 20 LEU HA H 11 3.937 3.937 4.095 -0.158 18220 8890 1 18 . 1 1 20 20 LEU C C 11 176.694 176.694 178.698 -2.004 18220 8891 1 18 . 1 1 20 20 LEU CA C 11 57.800 57.800 58.313 -0.513 18220 8892 1 18 . 1 1 20 20 LEU CB C 11 41.222 41.222 42.151 -0.929 18220 8893 1 18 . 1 1 20 20 LEU H H 11 8.065 8.065 7.859 0.206 18220 8894 1 18 . 1 1 21 21 VAL N N 12 118.323 118.323 118.941 -0.618 18220 8895 1 18 . 1 1 21 21 VAL HA H 12 3.640 3.640 3.601 0.039 18220 8896 1 18 . 1 1 21 21 VAL C C 12 176.536 176.536 178.413 -1.877 18220 8897 1 18 . 1 1 21 21 VAL CA C 12 65.400 65.400 66.610 -1.210 18220 8898 1 18 . 1 1 21 21 VAL CB C 12 31.135 31.135 30.474 0.661 18220 8899 1 18 . 1 1 21 21 VAL H H 12 8.051 8.051 8.769 -0.718 18220 8900 1 18 . 1 1 22 22 THR N N 13 118.298 118.298 116.518 1.780 18220 8901 1 18 . 1 1 22 22 THR HA H 13 4.660 4.660 3.987 0.673 18220 8902 1 18 . 1 1 22 22 THR C C 13 173.734 173.734 176.718 -2.984 18220 8903 1 18 . 1 1 22 22 THR CA C 13 66.300 66.300 66.570 -0.270 18220 8904 1 18 . 1 1 22 22 THR CB C 13 67.775 67.775 68.468 -0.693 18220 8905 1 18 . 1 1 22 22 THR H H 13 7.944 7.944 8.084 -0.140 18220 8906 1 18 . 1 1 23 23 PHE N N 14 121.328 121.328 120.978 0.350 18220 8907 1 18 . 1 1 23 23 PHE HA H 14 4.340 4.340 4.020 0.320 18220 8908 1 18 . 1 1 23 23 PHE C C 14 174.783 174.783 178.081 -3.298 18220 8909 1 18 . 1 1 23 23 PHE CA C 14 60.500 60.500 62.050 -1.550 18220 8910 1 18 . 1 1 23 23 PHE CB C 14 38.626 38.626 38.841 -0.215 18220 8911 1 18 . 1 1 23 23 PHE H H 14 8.567 8.567 8.420 0.147 18220 8912 1 18 . 1 1 24 24 GLY N N 15 106.871 106.871 105.818 1.053 18220 8913 1 18 . 1 1 24 24 GLY C C 15 172.858 172.858 176.154 -3.296 18220 8914 1 18 . 1 1 24 24 GLY CA C 15 46.900 46.900 47.275 -0.375 18220 8915 1 18 . 1 1 24 24 GLY H H 15 8.475 8.475 8.526 -0.051 18220 8916 1 18 . 1 1 25 25 SER N N 16 116.214 116.214 118.593 -2.379 18220 8917 1 18 . 1 1 25 25 SER HA H 16 4.280 4.280 4.098 0.182 18220 8918 1 18 . 1 1 25 25 SER CA C 16 60.300 60.300 62.256 -1.956 18220 8919 1 18 . 1 1 25 25 SER CB C 16 62.879 62.879 62.908 -0.029 18220 8920 1 18 . 1 1 25 25 SER H H 16 7.963 7.963 8.448 -0.485 18220 8921 1 18 . 1 1 26 26 ILE N N 17 121.024 121.024 121.572 -0.548 18220 8922 1 18 . 1 1 26 26 ILE HA H 17 3.946 3.946 3.788 0.158 18220 8923 1 18 . 1 1 26 26 ILE C C 17 173.935 173.935 176.989 -3.054 18220 8924 1 18 . 1 1 26 26 ILE CA C 17 63.100 63.100 64.700 -1.600 18220 8925 1 18 . 1 1 26 26 ILE CB C 17 38.107 38.107 38.036 0.070 18220 8926 1 18 . 1 1 26 26 ILE H H 17 7.676 7.676 8.166 -0.490 18220 8927 1 18 . 1 1 27 27 PHE N N 18 117.142 117.142 118.504 -1.362 18220 8928 1 18 . 1 1 27 27 PHE HA H 18 4.430 4.430 4.291 0.139 18220 8929 1 18 . 1 1 27 27 PHE C C 18 173.504 173.504 177.120 -3.616 18220 8930 1 18 . 1 1 27 27 PHE CA C 18 58.500 58.500 60.424 -1.924 18220 8931 1 18 . 1 1 27 27 PHE CB C 18 38.774 38.774 39.193 -0.419 18220 8932 1 18 . 1 1 27 27 PHE H H 18 7.703 7.703 8.094 -0.391 18220 8933 1 18 . 1 1 28 28 GLY N N 19 107.303 107.303 103.777 3.526 18220 8934 1 18 . 1 1 28 28 GLY C C 19 171.593 171.593 173.711 -2.118 18220 8935 1 18 . 1 1 28 28 GLY CA C 19 45.600 45.600 44.929 0.671 18220 8936 1 18 . 1 1 28 28 GLY H H 19 7.722 7.722 7.690 0.032 18220 8937 1 18 . 1 1 29 29 TYR N N 20 119.862 119.862 119.752 0.110 18220 8938 1 18 . 1 1 29 29 TYR HA H 20 4.392 4.392 4.144 0.248 18220 8939 1 18 . 1 1 29 29 TYR C C 20 173.174 173.174 174.670 -1.496 18220 8940 1 18 . 1 1 29 29 TYR CA C 20 58.500 58.500 58.343 0.157 18220 8941 1 18 . 1 1 29 29 TYR CB C 20 38.404 38.404 37.202 1.202 18220 8942 1 18 . 1 1 29 29 TYR H H 20 7.880 7.880 7.763 0.117 18220 8943 1 18 . 1 1 30 30 LYS N N 21 122.335 122.335 125.872 -3.537 18220 8944 1 18 . 1 1 30 30 LYS HA H 21 4.390 4.390 4.147 0.243 18220 8945 1 18 . 1 1 30 30 LYS C C 21 173.547 173.547 176.302 -2.755 18220 8946 1 18 . 1 1 30 30 LYS CA C 21 55.800 55.800 56.574 -0.774 18220 8947 1 18 . 1 1 30 30 LYS CB C 21 32.396 32.396 33.453 -1.057 18220 8948 1 18 . 1 1 30 30 LYS H H 21 7.934 7.934 8.123 -0.189 18220 8949 1 18 . 1 1 31 31 ARG N N 22 120.612 120.612 120.033 0.579 18220 8950 1 18 . 1 1 31 31 ARG C C 22 173.547 173.547 174.103 -0.556 18220 8951 1 18 . 1 1 31 31 ARG CA C 22 55.834 55.834 55.546 0.288 18220 8952 1 18 . 1 1 31 31 ARG CB C 22 30.101 30.101 32.409 -2.308 18220 8953 1 18 . 1 1 31 31 ARG H H 22 7.905 7.905 8.074 -0.169 18220 8954 1 18 . 1 1 32 32 ARG N N 23 121.748 121.748 121.839 -0.091 18220 8955 1 18 . 1 1 32 32 ARG HA H 23 4.310 4.310 4.771 -0.461 18220 8956 1 18 . 1 1 32 32 ARG C C 23 173.863 173.863 174.692 -0.829 18220 8957 1 18 . 1 1 32 32 ARG CA C 23 55.800 55.800 55.383 0.417 18220 8958 1 18 . 1 1 32 32 ARG CB C 23 30.245 30.245 31.417 -1.172 18220 8959 1 18 . 1 1 32 32 ARG H H 23 8.175 8.175 8.715 -0.540 18220 8960 1 18 . 1 1 33 33 GLY N N 24 109.528 109.528 109.533 -0.005 18220 8961 1 18 . 1 1 33 33 GLY C C 24 171.752 171.752 173.944 -2.192 18220 8962 1 18 . 1 1 33 33 GLY CA C 24 44.900 44.900 44.173 0.727 18220 8963 1 18 . 1 1 33 33 GLY H H 24 8.264 8.264 8.357 -0.093 18220 8964 1 18 . 1 1 34 34 GLY N N 25 108.563 108.563 108.534 0.029 18220 8965 1 18 . 1 1 34 34 GLY C C 25 171.701 171.701 172.854 -1.153 18220 8966 1 18 . 1 1 34 34 GLY CA C 25 44.600 44.600 44.763 -0.163 18220 8967 1 18 . 1 1 34 34 GLY H H 25 8.208 8.208 8.284 -0.076 18220 8968 1 18 . 1 1 35 35 VAL N N 26 121.164 121.164 118.397 2.767 18220 8969 1 18 . 1 1 35 35 VAL HA H 26 4.010 4.010 3.806 0.204 18220 8970 1 18 . 1 1 35 35 VAL C C 26 175.888 175.888 174.386 1.502 18220 8971 1 18 . 1 1 35 35 VAL CA C 26 63.900 63.900 62.338 1.562 18220 8972 1 18 . 1 1 35 35 VAL CB C 26 30.690 30.690 32.482 -1.792 18220 8973 1 18 . 1 1 35 35 VAL H H 26 8.485 8.485 8.016 0.469 18220 8974 1 18 . 1 1 36 36 PRO C C 27 177.660 177.660 175.558 2.102 18220 8975 1 18 . 1 1 36 36 PRO CA C 27 61.847 61.847 63.730 -1.883 18220 8976 1 18 . 1 1 37 37 SER N N 28 116.023 116.023 116.099 -0.076 18220 8977 1 18 . 1 1 37 37 SER HA H 28 4.280 4.280 4.380 -0.100 18220 8978 1 18 . 1 1 37 37 SER CA C 28 61.100 61.100 59.399 1.701 18220 8979 1 18 . 1 1 37 37 SER H H 28 7.948 7.948 8.409 -0.461 18220 8980 1 18 . 1 1 38 38 LEU N N 29 124.029 124.029 125.463 -1.434 18220 8981 1 18 . 1 1 38 38 LEU HA H 29 4.170 4.170 3.980 0.190 18220 8982 1 18 . 1 1 38 38 LEU C C 29 176.132 176.132 178.411 -2.279 18220 8983 1 18 . 1 1 38 38 LEU CA C 29 57.500 57.500 58.526 -1.026 18220 8984 1 18 . 1 1 38 38 LEU CB C 29 42.038 42.038 42.203 -0.165 18220 8985 1 18 . 1 1 38 38 LEU H H 29 8.201 8.201 8.329 -0.128 18220 8986 1 18 . 1 1 39 39 ILE N N 30 117.098 117.098 118.451 -1.353 18220 8987 1 18 . 1 1 39 39 ILE HA H 30 4.370 4.370 3.607 0.763 18220 8988 1 18 . 1 1 39 39 ILE C C 30 176.478 176.478 176.534 -0.056 18220 8989 1 18 . 1 1 39 39 ILE CA C 30 63.079 63.079 64.770 -1.691 18220 8990 1 18 . 1 1 39 39 ILE CB C 30 36.973 36.973 37.900 -0.927 18220 8991 1 18 . 1 1 39 39 ILE H H 30 7.662 7.662 7.435 0.227 18220 8992 1 18 . 1 1 40 40 ALA N N 31 122.447 122.447 120.812 1.635 18220 8993 1 18 . 1 1 40 40 ALA HA H 31 4.034 4.034 4.056 -0.022 18220 8994 1 18 . 1 1 40 40 ALA C C 31 177.067 177.067 179.761 -2.694 18220 8995 1 18 . 1 1 40 40 ALA CA C 31 55.962 55.962 55.477 0.485 18220 8996 1 18 . 1 1 40 40 ALA CB C 31 17.856 17.856 17.564 0.292 18220 8997 1 18 . 1 1 40 40 ALA H H 31 8.096 8.096 7.882 0.214 18220 8998 1 18 . 1 1 41 41 GLY N N 32 104.056 104.056 106.672 -2.616 18220 8999 1 18 . 1 1 41 41 GLY C C 32 174.251 174.251 175.944 -1.693 18220 9000 1 18 . 1 1 41 41 GLY CA C 32 46.500 46.500 46.762 -0.262 18220 9001 1 18 . 1 1 41 41 GLY H H 32 8.123 8.123 7.856 0.267 18220 9002 1 18 . 1 1 42 42 LEU N N 33 123.250 123.250 121.711 1.539 18220 9003 1 18 . 1 1 42 42 LEU HA H 33 3.857 3.857 4.108 -0.251 18220 9004 1 18 . 1 1 42 42 LEU C C 33 176.033 176.033 179.071 -3.038 18220 9005 1 18 . 1 1 42 42 LEU CA C 33 56.668 56.668 57.451 -0.783 18220 9006 1 18 . 1 1 42 42 LEU CB C 33 41.721 41.721 42.011 -0.290 18220 9007 1 18 . 1 1 42 42 LEU H H 33 7.914 7.914 7.926 -0.012 18220 9008 1 18 . 1 1 43 43 PHE N N 34 119.757 119.757 120.512 -0.755 18220 9009 1 18 . 1 1 43 43 PHE HA H 34 4.200 4.200 4.151 0.049 18220 9010 1 18 . 1 1 43 43 PHE C C 34 174.374 174.374 177.462 -3.088 18220 9011 1 18 . 1 1 43 43 PHE CA C 34 59.876 59.876 62.621 -2.745 18220 9012 1 18 . 1 1 43 43 PHE CB C 34 38.834 38.834 38.902 -0.068 18220 9013 1 18 . 1 1 43 43 PHE H H 34 8.287 8.287 8.631 -0.344 18220 9014 1 18 . 1 1 44 44 VAL N N 35 117.791 117.791 118.424 -0.633 18220 9015 1 18 . 1 1 44 44 VAL HA H 35 3.610 3.610 3.649 -0.039 18220 9016 1 18 . 1 1 44 44 VAL C C 35 176.205 176.205 178.327 -2.122 18220 9017 1 18 . 1 1 44 44 VAL CA C 35 64.559 64.559 67.473 -2.914 18220 9018 1 18 . 1 1 44 44 VAL CB C 35 31.432 31.432 31.239 0.193 18220 9019 1 18 . 1 1 44 44 VAL H H 35 8.235 8.235 8.613 -0.378 18220 9020 1 18 . 1 1 45 45 GLY N N 36 108.551 108.551 106.934 1.617 18220 9021 1 18 . 1 1 45 45 GLY C C 36 173.749 173.749 175.996 -2.247 18220 9022 1 18 . 1 1 45 45 GLY CA C 36 46.083 46.083 47.401 -1.317 18220 9023 1 18 . 1 1 45 45 GLY H H 36 8.178 8.178 8.150 0.028 18220 9024 1 18 . 1 1 46 46 CYS N N 37 121.173 121.173 121.406 -0.233 18220 9025 1 18 . 1 1 46 46 CYS HA H 37 4.180 4.180 3.939 0.241 18220 9026 1 18 . 1 1 46 46 CYS C C 37 173.710 173.710 176.718 -3.008 18220 9027 1 18 . 1 1 46 46 CYS CA C 37 63.000 63.000 62.898 0.102 18220 9028 1 18 . 1 1 46 46 CYS CB C 37 60.283 60.283 27.156 33.127 18220 9029 1 18 . 1 1 46 46 CYS H H 37 8.253 8.253 7.897 0.356 18220 9030 1 18 . 1 1 47 47 LEU N N 38 120.283 120.283 120.704 -0.421 18220 9031 1 18 . 1 1 47 47 LEU HA H 38 4.060 4.060 3.711 0.349 18220 9032 1 18 . 1 1 47 47 LEU C C 38 176.679 176.679 178.922 -2.243 18220 9033 1 18 . 1 1 47 47 LEU CA C 38 56.027 56.027 57.982 -1.955 18220 9034 1 18 . 1 1 47 47 LEU CB C 38 41.464 41.464 41.894 -0.430 18220 9035 1 18 . 1 1 47 47 LEU H H 38 7.965 7.965 8.341 -0.376 18220 9036 1 18 . 1 1 48 48 ALA N N 39 122.249 122.249 120.289 1.960 18220 9037 1 18 . 1 1 48 48 ALA HA H 39 4.142 4.142 4.023 0.119 18220 9038 1 18 . 1 1 48 48 ALA C C 39 177.915 177.915 179.600 -1.685 18220 9039 1 18 . 1 1 48 48 ALA CA C 39 53.717 53.717 55.413 -1.696 18220 9040 1 18 . 1 1 48 48 ALA CB C 39 17.985 17.985 18.006 -0.021 18220 9041 1 18 . 1 1 48 48 ALA H H 39 8.066 8.066 8.462 -0.396 18220 9042 1 18 . 1 1 49 49 GLY N N 40 107.377 107.377 107.362 0.015 18220 9043 1 18 . 1 1 49 49 GLY C C 40 172.527 172.527 175.841 -3.314 18220 9044 1 18 . 1 1 49 49 GLY CA C 40 45.450 45.450 47.159 -1.709 18220 9045 1 18 . 1 1 49 49 GLY H H 40 8.172 8.172 8.254 -0.082 18220 9046 1 18 . 1 1 50 50 TYR N N 41 122.409 122.409 123.502 -1.093 18220 9047 1 18 . 1 1 50 50 TYR HA H 41 3.799 3.799 3.954 -0.155 18220 9048 1 18 . 1 1 50 50 TYR C C 41 174.208 174.208 178.410 -4.202 18220 9049 1 18 . 1 1 50 50 TYR CA C 41 59.245 59.245 60.842 -1.597 18220 9050 1 18 . 1 1 50 50 TYR CB C 41 37.936 37.936 38.054 -0.118 18220 9051 1 18 . 1 1 50 50 TYR H H 41 7.800 7.800 8.361 -0.561 18220 9052 1 18 . 1 1 51 51 GLY N N 42 106.935 106.935 105.709 1.226 18220 9053 1 18 . 1 1 51 51 GLY C C 42 172.642 172.642 175.585 -2.943 18220 9054 1 18 . 1 1 51 51 GLY CA C 42 46.265 46.265 46.925 -0.660 18220 9055 1 18 . 1 1 51 51 GLY H H 42 8.199 8.199 8.260 -0.061 18220 9056 1 18 . 1 1 52 52 ALA N N 43 123.018 123.018 124.147 -1.129 18220 9057 1 18 . 1 1 52 52 ALA HA H 43 4.150 4.150 4.004 0.146 18220 9058 1 18 . 1 1 52 52 ALA C C 43 176.398 176.398 178.973 -2.575 18220 9059 1 18 . 1 1 52 52 ALA CA C 43 52.883 52.883 54.522 -1.639 18220 9060 1 18 . 1 1 52 52 ALA CB C 43 18.241 18.241 18.503 -0.262 18220 9061 1 18 . 1 1 52 52 ALA H H 43 7.758 7.758 8.199 -0.441 18220 9062 1 18 . 1 1 53 53 TYR N N 44 119.664 119.664 118.214 1.450 18220 9063 1 18 . 1 1 53 53 TYR HA H 44 4.318 4.318 4.129 0.189 18220 9064 1 18 . 1 1 53 53 TYR C C 44 174.180 174.180 178.098 -3.918 18220 9065 1 18 . 1 1 53 53 TYR CA C 44 58.593 58.593 61.429 -2.836 18220 9066 1 18 . 1 1 53 53 TYR CB C 44 38.192 38.192 38.438 -0.246 18220 9067 1 18 . 1 1 53 53 TYR H H 44 7.920 7.920 8.180 -0.260 18220 9068 1 18 . 1 1 54 54 ARG N N 45 119.516 119.516 118.559 0.957 18220 9069 1 18 . 1 1 54 54 ARG HA H 45 3.930 3.930 4.011 -0.081 18220 9070 1 18 . 1 1 54 54 ARG C C 45 174.423 174.423 177.351 -2.928 18220 9071 1 18 . 1 1 54 54 ARG CA C 45 56.027 56.027 58.923 -2.896 18220 9072 1 18 . 1 1 54 54 ARG CB C 45 30.173 30.173 30.780 -0.608 18220 9073 1 18 . 1 1 54 54 ARG H H 45 7.956 7.956 8.129 -0.173 18220 9074 1 18 . 1 1 55 55 VAL N N 46 116.437 116.437 113.293 3.144 18220 9075 1 18 . 1 1 55 55 VAL HA H 46 4.060 4.060 3.982 0.078 18220 9076 1 18 . 1 1 55 55 VAL C C 46 173.806 173.806 174.818 -1.012 18220 9077 1 18 . 1 1 55 55 VAL CA C 46 62.300 62.300 62.914 -0.614 18220 9078 1 18 . 1 1 55 55 VAL CB C 46 31.521 31.521 32.473 -0.952 18220 9079 1 18 . 1 1 55 55 VAL H H 46 7.489 7.489 7.596 -0.107 18220 9080 1 18 . 1 1 56 56 SER N N 47 117.185 117.185 120.095 -2.910 18220 9081 1 18 . 1 1 56 56 SER HA H 47 4.401 4.401 4.387 0.014 18220 9082 1 18 . 1 1 56 56 SER C C 47 172.074 172.074 173.525 -1.451 18220 9083 1 18 . 1 1 56 56 SER CA C 47 58.133 58.133 59.965 -1.832 18220 9084 1 18 . 1 1 56 56 SER CB C 47 63.468 63.468 61.914 1.554 18220 9085 1 18 . 1 1 56 56 SER H H 47 7.728 7.728 8.448 -0.720 18220 9086 1 18 . 1 1 57 57 ASN N N 48 121.049 121.049 121.469 -0.420 18220 9087 1 18 . 1 1 57 57 ASN HA H 48 4.590 4.590 4.713 -0.123 18220 9088 1 18 . 1 1 57 57 ASN CA C 48 53.600 53.600 53.953 -0.353 18220 9089 1 18 . 1 1 57 57 ASN CB C 48 38.641 38.641 40.530 -1.889 18220 9090 1 18 . 1 1 57 57 ASN H H 48 8.228 8.228 8.335 -0.107 18220 9091 1 18 . 1 1 58 58 ASP N N 49 120.276 120.276 122.223 -1.947 18220 9092 1 18 . 1 1 58 58 ASP HA H 49 4.530 4.530 4.386 0.144 18220 9093 1 18 . 1 1 58 58 ASP CA C 49 54.202 54.202 56.063 -1.861 18220 9094 1 18 . 1 1 58 58 ASP CB C 49 40.374 40.374 41.002 -0.628 18220 9095 1 18 . 1 1 58 58 ASP H H 49 8.192 8.192 8.717 -0.525 18220 9096 1 18 . 1 1 59 59 LYS N N 50 120.660 120.660 117.870 2.790 18220 9097 1 18 . 1 1 59 59 LYS HA H 50 4.200 4.200 4.233 -0.033 18220 9098 1 18 . 1 1 59 59 LYS C C 50 173.474 173.474 175.424 -1.950 18220 9099 1 18 . 1 1 59 59 LYS CA C 50 56.300 56.300 56.506 -0.206 18220 9100 1 18 . 1 1 59 59 LYS CB C 50 32.034 32.034 33.385 -1.351 18220 9101 1 18 . 1 1 59 59 LYS H H 50 8.003 8.003 7.924 0.079 18220 9102 1 18 . 1 1 60 60 ARG N N 51 121.278 121.278 115.767 5.511 18220 9103 1 18 . 1 1 60 60 ARG HA H 51 4.200 4.200 4.292 -0.092 18220 9104 1 18 . 1 1 60 60 ARG C C 51 173.303 173.303 177.016 -3.713 18220 9105 1 18 . 1 1 60 60 ARG CA C 51 56.283 56.283 57.219 -0.936 18220 9106 1 18 . 1 1 60 60 ARG CB C 51 30.238 30.238 29.808 0.430 18220 9107 1 18 . 1 1 60 60 ARG H H 51 8.091 8.091 8.243 -0.152 18220 9108 1 18 . 1 1 61 61 ASP N N 52 121.185 121.185 123.431 -2.246 18220 9109 1 18 . 1 1 61 61 ASP HA H 52 4.615 4.615 4.399 0.216 18220 9110 1 18 . 1 1 61 61 ASP C C 52 173.777 173.777 177.055 -3.278 18220 9111 1 18 . 1 1 61 61 ASP CA C 52 53.979 53.979 57.473 -3.494 18220 9112 1 18 . 1 1 61 61 ASP CB C 52 40.245 40.245 40.717 -0.472 18220 9113 1 18 . 1 1 61 61 ASP H H 52 8.261 8.261 8.622 -0.361 18220 9114 1 18 . 1 1 62 62 VAL N N 53 121.902 121.902 113.865 8.037 18220 9115 1 18 . 1 1 62 62 VAL HA H 53 3.950 3.950 4.140 -0.190 18220 9116 1 18 . 1 1 62 62 VAL C C 53 173.279 173.279 175.200 -1.921 18220 9117 1 18 . 1 1 62 62 VAL CA C 53 63.176 63.176 63.482 -0.306 18220 9118 1 18 . 1 1 62 62 VAL CB C 53 32.099 32.099 32.766 -0.667 18220 9119 1 18 . 1 1 62 62 VAL H H 53 7.997 7.997 7.648 0.349 18220 9120 1 18 . 1 1 63 63 LYS N N 54 123.522 123.522 121.213 2.309 18220 9121 1 18 . 1 1 63 63 LYS HA H 54 4.260 4.260 3.966 0.294 18220 9122 1 18 . 1 1 63 63 LYS C C 54 174.481 174.481 178.093 -3.612 18220 9123 1 18 . 1 1 63 63 LYS CA C 54 56.347 56.347 60.140 -3.793 18220 9124 1 18 . 1 1 63 63 LYS CB C 54 32.099 32.099 31.568 0.531 18220 9125 1 18 . 1 1 63 63 LYS H H 54 8.054 8.054 8.411 -0.357 18220 9126 1 18 . 1 1 64 64 VAL N N 55 120.647 120.647 114.260 6.387 18220 9127 1 18 . 1 1 64 64 VAL HA H 55 3.947 3.947 3.649 0.298 18220 9128 1 18 . 1 1 64 64 VAL C C 55 174.955 174.955 177.870 -2.915 18220 9129 1 18 . 1 1 64 64 VAL CA C 55 64.600 64.600 65.985 -1.385 18220 9130 1 18 . 1 1 64 64 VAL CB C 55 31.877 31.877 30.992 0.885 18220 9131 1 18 . 1 1 64 64 VAL H H 55 8.225 8.225 7.926 0.299 18220 9132 1 18 . 1 1 65 65 SER N N 56 117.785 117.785 115.167 2.618 18220 9133 1 18 . 1 1 65 65 SER HA H 56 4.390 4.390 4.119 0.271 18220 9134 1 18 . 1 1 65 65 SER C C 56 172.300 172.300 176.618 -4.318 18220 9135 1 18 . 1 1 65 65 SER CA C 56 60.000 60.000 62.144 -2.143 18220 9136 1 18 . 1 1 65 65 SER CB C 56 62.879 62.879 63.026 -0.147 18220 9137 1 18 . 1 1 65 65 SER H H 56 8.260 8.260 8.190 0.070 18220 9138 1 18 . 1 1 66 66 LEU N N 57 123.318 123.318 122.002 1.316 18220 9139 1 18 . 1 1 66 66 LEU HA H 57 4.090 4.090 4.083 0.007 18220 9140 1 18 . 1 1 66 66 LEU C C 57 175.932 175.932 178.277 -2.345 18220 9141 1 18 . 1 1 66 66 LEU CA C 57 57.502 57.502 57.920 -0.418 18220 9142 1 18 . 1 1 66 66 LEU CB C 57 41.721 41.721 41.931 -0.210 18220 9143 1 18 . 1 1 66 66 LEU H H 57 8.091 8.091 7.471 0.620 18220 9144 1 18 . 1 1 67 67 PHE N N 58 118.020 118.020 118.391 -0.371 18220 9145 1 18 . 1 1 67 67 PHE HA H 58 4.330 4.330 4.522 -0.192 18220 9146 1 18 . 1 1 67 67 PHE C C 58 174.912 174.912 177.272 -2.360 18220 9147 1 18 . 1 1 67 67 PHE CA C 58 60.600 60.600 61.001 -0.401 18220 9148 1 18 . 1 1 67 67 PHE CB C 58 38.552 38.552 39.174 -0.622 18220 9149 1 18 . 1 1 67 67 PHE H H 58 8.066 8.066 8.552 -0.486 18220 9150 1 18 . 1 1 68 68 THR N N 59 115.324 115.324 117.767 -2.443 18220 9151 1 18 . 1 1 68 68 THR HA H 59 4.310 4.310 3.965 0.345 18220 9152 1 18 . 1 1 68 68 THR C C 59 173.380 173.380 176.410 -3.030 18220 9153 1 18 . 1 1 68 68 THR CA C 59 66.313 66.313 67.136 -0.823 18220 9154 1 18 . 1 1 68 68 THR CB C 59 67.700 67.700 68.695 -0.995 18220 9155 1 18 . 1 1 68 68 THR H H 59 8.287 8.287 8.261 0.026 18220 9156 1 18 . 1 1 69 69 ALA N N 60 123.621 123.621 124.531 -0.910 18220 9157 1 18 . 1 1 69 69 ALA HA H 60 4.280 4.280 4.214 0.066 18220 9158 1 18 . 1 1 69 69 ALA C C 60 176.978 176.978 179.252 -2.274 18220 9159 1 18 . 1 1 69 69 ALA CA C 60 55.100 55.100 55.063 0.036 18220 9160 1 18 . 1 1 69 69 ALA CB C 60 17.728 17.728 18.119 -0.391 18220 9161 1 18 . 1 1 69 69 ALA H H 60 7.983 7.983 8.616 -0.633 18220 9162 1 18 . 1 1 70 70 PHE N N 61 118.520 118.520 120.369 -1.849 18220 9163 1 18 . 1 1 70 70 PHE HA H 61 4.260 4.260 4.143 0.117 18220 9164 1 18 . 1 1 70 70 PHE C C 61 175.369 175.369 176.747 -1.378 18220 9165 1 18 . 1 1 70 70 PHE CA C 61 60.179 60.179 60.914 -0.735 18220 9166 1 18 . 1 1 70 70 PHE CB C 61 38.706 38.706 39.028 -0.322 18220 9167 1 18 . 1 1 70 70 PHE H H 61 8.007 8.007 8.389 -0.382 18220 9168 1 18 . 1 1 71 71 PHE N N 62 122.314 122.314 119.625 2.689 18220 9169 1 18 . 1 1 71 71 PHE HA H 62 4.000 4.000 3.639 0.361 18220 9170 1 18 . 1 1 71 71 PHE C C 62 174.697 174.697 177.193 -2.496 18220 9171 1 18 . 1 1 71 71 PHE CA C 62 60.517 60.517 61.124 -0.607 18220 9172 1 18 . 1 1 71 71 PHE CB C 62 38.770 38.770 38.650 0.120 18220 9173 1 18 . 1 1 71 71 PHE H H 62 8.546 8.546 7.976 0.570 18220 9174 1 18 . 1 1 72 72 LEU N N 63 119.399 119.399 120.150 -0.751 18220 9175 1 18 . 1 1 72 72 LEU HA H 63 3.870 3.870 3.606 0.264 18220 9176 1 18 . 1 1 72 72 LEU C C 63 175.774 175.774 178.513 -2.739 18220 9177 1 18 . 1 1 72 72 LEU CA C 63 56.925 56.925 58.404 -1.479 18220 9178 1 18 . 1 1 72 72 LEU CB C 63 41.207 41.207 41.781 -0.574 18220 9179 1 18 . 1 1 72 72 LEU H H 63 8.396 8.396 8.152 0.244 18220 9180 1 18 . 1 1 73 73 ALA N N 64 120.221 120.221 120.278 -0.057 18220 9181 1 18 . 1 1 73 73 ALA HA H 64 3.960 3.960 3.807 0.153 18220 9182 1 18 . 1 1 73 73 ALA C C 64 177.267 177.267 179.423 -2.156 18220 9183 1 18 . 1 1 73 73 ALA CA C 64 54.600 54.600 55.480 -0.880 18220 9184 1 18 . 1 1 73 73 ALA CB C 64 17.784 17.784 17.926 -0.142 18220 9185 1 18 . 1 1 73 73 ALA H H 64 8.025 8.025 8.493 -0.468 18220 9186 1 18 . 1 1 74 74 THR N N 65 113.648 113.648 112.950 0.698 18220 9187 1 18 . 1 1 74 74 THR HA H 65 3.980 3.980 3.927 0.053 18220 9188 1 18 . 1 1 74 74 THR CA C 65 66.291 66.291 65.990 0.301 18220 9189 1 18 . 1 1 74 74 THR CB C 65 67.914 67.914 68.128 -0.214 18220 9190 1 18 . 1 1 74 74 THR H H 65 7.717 7.717 7.820 -0.103 18220 9191 1 18 . 1 1 75 75 ILE N N 66 120.291 120.291 119.387 0.904 18220 9192 1 18 . 1 1 75 75 ILE HA H 66 3.740 3.740 3.671 0.069 18220 9193 1 18 . 1 1 75 75 ILE C C 66 174.951 174.951 176.940 -1.989 18220 9194 1 18 . 1 1 75 75 ILE CA C 66 64.880 64.880 62.697 2.183 18220 9195 1 18 . 1 1 75 75 ILE CB C 66 37.166 37.166 37.257 -0.091 18220 9196 1 18 . 1 1 75 75 ILE H H 66 7.738 7.738 7.553 0.185 18220 9197 1 18 . 1 1 76 76 MET N N 67 117.618 117.618 116.947 0.671 18220 9198 1 18 . 1 1 76 76 MET HA H 67 4.220 4.220 4.323 -0.103 18220 9199 1 18 . 1 1 76 76 MET C C 67 175.142 175.142 178.246 -3.104 18220 9200 1 18 . 1 1 76 76 MET CA C 67 56.723 56.723 57.745 -1.022 18220 9201 1 18 . 1 1 76 76 MET CB C 67 31.951 31.951 33.761 -1.810 18220 9202 1 18 . 1 1 76 76 MET H H 67 7.823 7.823 8.017 -0.194 18220 9203 1 18 . 1 1 77 77 GLY N N 68 107.110 107.110 107.055 0.055 18220 9204 1 18 . 1 1 77 77 GLY C C 68 172.260 172.260 173.961 -1.701 18220 9205 1 18 . 1 1 77 77 GLY CA C 68 45.800 45.800 45.118 0.682 18220 9206 1 18 . 1 1 77 77 GLY H H 68 7.937 7.937 8.717 -0.780 18220 9207 1 18 . 1 1 78 78 VAL N N 69 120.431 120.431 122.932 -2.501 18220 9208 1 18 . 1 1 78 78 VAL HA H 69 4.220 4.220 4.175 0.045 18220 9209 1 18 . 1 1 78 78 VAL CA C 69 63.900 63.900 61.187 2.713 18220 9210 1 18 . 1 1 78 78 VAL CB C 69 31.506 31.506 33.925 -2.419 18220 9211 1 18 . 1 1 78 78 VAL H H 69 7.697 7.697 7.734 -0.037 18220 9212 1 18 . 1 1 79 79 ARG N N 70 121.420 121.420 126.785 -5.365 18220 9213 1 18 . 1 1 79 79 ARG HA H 70 3.810 3.810 4.174 -0.364 18220 9214 1 18 . 1 1 79 79 ARG CA C 70 56.400 56.400 57.012 -0.612 18220 9215 1 18 . 1 1 79 79 ARG CB C 70 30.097 30.097 28.454 1.643 18220 9216 1 18 . 1 1 79 79 ARG H H 70 7.889 7.889 8.879 -0.990 18220 9217 1 18 . 1 1 80 80 PHE N N 71 119.949 119.949 120.982 -1.033 18220 9218 1 18 . 1 1 80 80 PHE HA H 71 4.510 4.510 3.983 0.527 18220 9219 1 18 . 1 1 80 80 PHE CA C 71 58.600 58.600 61.366 -2.766 18220 9220 1 18 . 1 1 80 80 PHE CB C 71 39.145 39.145 38.824 0.321 18220 9221 1 18 . 1 1 80 80 PHE H H 71 8.101 8.101 8.892 -0.791 18220 9222 1 18 . 1 1 81 81 LYS N N 72 122.193 122.193 118.671 3.522 18220 9223 1 18 . 1 1 81 81 LYS CA C 72 56.800 56.800 55.830 0.970 18220 9224 1 18 . 1 1 81 81 LYS CB C 72 32.322 32.322 33.437 -1.115 18220 9225 1 18 . 1 1 81 81 LYS H H 72 8.090 8.090 8.628 -0.538 18220 9226 1 18 . 1 1 82 82 ARG N N 73 119.650 119.650 119.808 -0.158 18220 9227 1 18 . 1 1 82 82 ARG CA C 73 56.089 56.089 57.559 -1.470 18220 9228 1 18 . 1 1 82 82 ARG CB C 73 30.171 30.171 28.599 1.572 18220 9229 1 18 . 1 1 82 82 ARG H H 73 8.052 8.052 8.289 -0.237 18220 9230 1 18 . 1 1 83 83 SER N N 74 115.734 115.734 116.170 -0.436 18220 9231 1 18 . 1 1 83 83 SER CA C 74 58.355 58.355 58.012 0.343 18220 9232 1 18 . 1 1 83 83 SER CB C 74 63.404 63.404 65.334 -1.930 18220 9233 1 18 . 1 1 83 83 SER H H 74 7.912 7.912 8.309 -0.397 18220 9234 1 18 . 1 1 84 84 LYS N N 75 122.370 122.370 120.904 1.466 18220 9235 1 18 . 1 1 84 84 LYS CA C 75 56.135 56.135 55.512 0.623 18220 9236 1 18 . 1 1 84 84 LYS CB C 75 32.175 32.175 32.821 -0.646 18220 9237 1 18 . 1 1 84 84 LYS H H 75 8.067 8.067 8.472 -0.405 18220 9238 1 18 . 1 1 86 86 ILE N N 77 119.592 119.592 120.419 -0.827 18220 9239 1 18 . 1 1 86 86 ILE HA H 77 3.810 3.810 3.630 0.180 18220 9240 1 18 . 1 1 86 86 ILE CA C 77 64.900 64.900 62.591 2.309 18220 9241 1 18 . 1 1 86 86 ILE CB C 77 39.145 39.145 37.746 1.399 18220 9242 1 18 . 1 1 86 86 ILE H H 77 7.837 7.837 7.810 0.027 18220 9243 1 18 . 1 1 87 87 MET N N 78 121.645 121.645 118.702 2.943 18220 9244 1 18 . 1 1 87 87 MET CA C 78 52.982 52.982 56.661 -3.679 18220 9245 1 18 . 1 1 87 87 MET CB C 78 32.173 32.173 31.957 0.216 18220 9246 1 18 . 1 1 87 87 MET H H 78 7.950 7.950 7.985 -0.035 18220 9247 1 18 . 1 1 88 88 PRO HA H 79 4.140 4.140 4.361 -0.221 18220 9248 1 18 . 1 1 88 88 PRO C C 79 173.921 173.921 178.324 -4.403 18220 9249 1 18 . 1 1 88 88 PRO CA C 79 62.800 62.800 65.542 -2.742 18220 9250 1 18 . 1 1 88 88 PRO CB C 79 31.136 31.136 31.421 -0.285 18220 9251 1 18 . 1 1 89 89 ALA N N 80 124.431 124.431 121.779 2.652 18220 9252 1 18 . 1 1 89 89 ALA HA H 80 4.400 4.400 3.978 0.422 18220 9253 1 18 . 1 1 89 89 ALA C C 80 176.234 176.234 179.810 -3.576 18220 9254 1 18 . 1 1 89 89 ALA CA C 80 53.300 53.300 54.926 -1.626 18220 9255 1 18 . 1 1 89 89 ALA CB C 80 18.498 18.498 17.977 0.521 18220 9256 1 18 . 1 1 89 89 ALA H H 80 8.320 8.320 8.497 -0.177 18220 9257 1 18 . 1 1 90 90 GLY N N 81 106.834 106.834 107.116 -0.282 18220 9258 1 18 . 1 1 90 90 GLY C C 81 172.398 172.398 176.482 -4.084 18220 9259 1 18 . 1 1 90 90 GLY CA C 81 45.600 45.600 47.005 -1.405 18220 9260 1 18 . 1 1 90 90 GLY H H 81 8.458 8.458 8.482 -0.024 18220 9261 1 18 . 1 1 91 91 LEU N N 82 121.043 121.043 122.122 -1.079 18220 9262 1 18 . 1 1 91 91 LEU HA H 82 4.200 4.200 3.984 0.216 18220 9263 1 18 . 1 1 91 91 LEU C C 82 174.783 174.783 178.910 -4.127 18220 9264 1 18 . 1 1 91 91 LEU CA C 82 56.300 56.300 58.179 -1.879 18220 9265 1 18 . 1 1 91 91 LEU CB C 82 42.106 42.106 42.018 0.088 18220 9266 1 18 . 1 1 91 91 LEU H H 82 7.687 7.687 7.968 -0.281 18220 9267 1 18 . 1 1 92 92 VAL N N 83 114.737 114.737 118.332 -3.595 18220 9268 1 18 . 1 1 92 92 VAL HA H 83 3.980 3.980 3.589 0.391 18220 9269 1 18 . 1 1 92 92 VAL C C 83 173.634 173.634 178.012 -4.378 18220 9270 1 18 . 1 1 92 92 VAL CA C 83 62.400 62.400 65.882 -3.482 18220 9271 1 18 . 1 1 92 92 VAL CB C 83 31.585 31.585 30.672 0.913 18220 9272 1 18 . 1 1 92 92 VAL H H 83 7.602 7.602 7.822 -0.220 18220 9273 1 18 . 1 1 93 93 ALA N N 84 124.320 124.320 121.630 2.690 18220 9274 1 18 . 1 1 93 93 ALA HA H 84 4.150 4.150 4.139 0.011 18220 9275 1 18 . 1 1 93 93 ALA C C 84 175.746 175.746 179.897 -4.151 18220 9276 1 18 . 1 1 93 93 ALA CA C 84 53.300 53.300 55.210 -1.910 18220 9277 1 18 . 1 1 93 93 ALA CB C 84 18.241 18.241 18.167 0.074 18220 9278 1 18 . 1 1 93 93 ALA H H 84 7.891 7.891 8.227 -0.336 18220 9279 1 18 . 1 1 94 94 GLY N N 85 106.807 106.807 107.963 -1.156 18220 9280 1 18 . 1 1 94 94 GLY C C 85 171.752 171.752 176.054 -4.302 18220 9281 1 18 . 1 1 94 94 GLY CA C 85 45.249 45.249 46.838 -1.589 18220 9282 1 18 . 1 1 94 94 GLY H H 85 8.204 8.204 8.111 0.093 18220 9283 1 18 . 1 1 95 95 LEU N N 86 121.266 121.266 123.278 -2.012 18220 9284 1 18 . 1 1 95 95 LEU HA H 86 4.380 4.380 3.946 0.434 18220 9285 1 18 . 1 1 95 95 LEU C C 86 173.702 173.702 179.523 -5.821 18220 9286 1 18 . 1 1 95 95 LEU CA C 86 55.000 55.000 57.909 -2.909 18220 9287 1 18 . 1 1 95 95 LEU CB C 86 42.298 42.298 41.626 0.673 18220 9288 1 18 . 1 1 95 95 LEU H H 86 7.718 7.718 8.350 -0.632 18220 9289 1 18 . 1 1 96 96 SER N N 87 115.658 115.658 115.153 0.505 18220 9290 1 18 . 1 1 96 96 SER HA H 87 4.370 4.370 4.148 0.222 18220 9291 1 18 . 1 1 96 96 SER C C 87 172.479 172.479 176.889 -4.410 18220 9292 1 18 . 1 1 96 96 SER CA C 87 57.200 57.200 62.037 -4.837 18220 9293 1 18 . 1 1 96 96 SER CB C 87 64.174 64.174 62.864 1.310 18220 9294 1 18 . 1 1 96 96 SER H H 87 7.659 7.659 8.060 -0.401 18220 9295 1 18 . 1 1 97 97 LEU N N 88 123.720 123.720 122.778 0.942 18220 9296 1 18 . 1 1 97 97 LEU HA H 88 4.600 4.600 3.922 0.678 18220 9297 1 18 . 1 1 97 97 LEU C C 88 175.932 175.932 178.795 -2.863 18220 9298 1 18 . 1 1 97 97 LEU CA C 88 57.600 57.600 58.373 -0.773 18220 9299 1 18 . 1 1 97 97 LEU CB C 88 41.400 41.400 41.964 -0.563 18220 9300 1 18 . 1 1 97 97 LEU H H 88 8.733 8.733 8.166 0.567 18220 9301 1 18 . 1 1 98 98 MET N N 89 116.684 116.684 118.574 -1.890 18220 9302 1 18 . 1 1 98 98 MET HA H 89 4.280 4.280 3.965 0.315 18220 9303 1 18 . 1 1 98 98 MET C C 89 175.789 175.789 178.779 -2.990 18220 9304 1 18 . 1 1 98 98 MET CA C 89 56.915 56.915 58.758 -1.843 18220 9305 1 18 . 1 1 98 98 MET CB C 89 31.007 31.007 32.203 -1.196 18220 9306 1 18 . 1 1 98 98 MET H H 89 8.342 8.342 8.252 0.090 18220 9307 1 18 . 1 1 99 99 MET N N 90 119.182 119.182 118.296 0.886 18220 9308 1 18 . 1 1 99 99 MET HA H 90 4.110 4.110 4.084 0.026 18220 9309 1 18 . 1 1 99 99 MET C C 90 175.588 175.588 178.914 -3.326 18220 9310 1 18 . 1 1 99 99 MET CA C 90 57.951 57.951 58.292 -0.341 18220 9311 1 18 . 1 1 99 99 MET CB C 90 32.226 32.226 31.485 0.741 18220 9312 1 18 . 1 1 99 99 MET H H 90 7.720 7.720 8.066 -0.346 18220 9313 1 18 . 1 1 100 100 ILE N N 91 119.077 119.077 119.760 -0.683 18220 9314 1 18 . 1 1 100 100 ILE HA H 91 4.110 4.110 3.622 0.488 18220 9315 1 18 . 1 1 100 100 ILE C C 91 174.634 174.634 178.301 -3.667 18220 9316 1 18 . 1 1 100 100 ILE CA C 91 64.100 64.100 65.335 -1.234 18220 9317 1 18 . 1 1 100 100 ILE CB C 91 37.143 37.143 37.553 -0.410 18220 9318 1 18 . 1 1 100 100 ILE H H 91 7.662 7.662 8.131 -0.469 18220 9319 1 18 . 1 1 101 101 LEU N N 92 119.646 119.646 119.057 0.589 18220 9320 1 18 . 1 1 101 101 LEU HA H 92 4.530 4.530 3.954 0.576 18220 9321 1 18 . 1 1 101 101 LEU C C 92 175.430 175.430 179.099 -3.669 18220 9322 1 18 . 1 1 101 101 LEU CA C 92 57.800 57.800 58.430 -0.630 18220 9323 1 18 . 1 1 101 101 LEU CB C 92 40.758 40.758 41.360 -0.602 18220 9324 1 18 . 1 1 101 101 LEU H H 92 8.142 8.142 8.387 -0.245 18220 9325 1 18 . 1 1 102 102 ARG N N 93 116.394 116.394 118.062 -1.668 18220 9326 1 18 . 1 1 102 102 ARG HA H 93 4.140 4.140 4.081 0.059 18220 9327 1 18 . 1 1 102 102 ARG C C 93 175.961 175.961 178.417 -2.456 18220 9328 1 18 . 1 1 102 102 ARG CA C 93 59.100 59.100 58.611 0.489 18220 9329 1 18 . 1 1 102 102 ARG CB C 93 29.404 29.404 30.048 -0.644 18220 9330 1 18 . 1 1 102 102 ARG H H 93 7.893 7.893 8.243 -0.350 18220 9331 1 18 . 1 1 103 103 LEU N N 94 119.114 119.114 120.914 -1.800 18220 9332 1 18 . 1 1 103 103 LEU HA H 94 4.110 4.110 4.060 0.050 18220 9333 1 18 . 1 1 103 103 LEU C C 94 175.889 175.889 178.282 -2.393 18220 9334 1 18 . 1 1 103 103 LEU CA C 94 57.300 57.300 57.912 -0.612 18220 9335 1 18 . 1 1 103 103 LEU CB C 94 41.296 41.296 41.915 -0.619 18220 9336 1 18 . 1 1 103 103 LEU H H 94 7.622 7.622 7.867 -0.245 18220 9337 1 18 . 1 1 104 104 VAL N N 95 117.704 117.704 117.506 0.198 18220 9338 1 18 . 1 1 104 104 VAL HA H 95 3.530 3.530 3.740 -0.210 18220 9339 1 18 . 1 1 104 104 VAL C C 95 175.042 175.042 178.189 -3.147 18220 9340 1 18 . 1 1 104 104 VAL CA C 95 66.419 66.419 66.263 0.156 18220 9341 1 18 . 1 1 104 104 VAL CB C 95 31.357 31.357 32.056 -0.699 18220 9342 1 18 . 1 1 104 104 VAL H H 95 8.026 8.026 7.338 0.688 18220 9343 1 18 . 1 1 105 105 LEU N N 96 117.185 117.185 120.597 -3.412 18220 9344 1 18 . 1 1 105 105 LEU HA H 96 3.980 3.980 4.013 -0.033 18220 9345 1 18 . 1 1 105 105 LEU C C 96 176.579 176.579 179.020 -2.441 18220 9346 1 18 . 1 1 105 105 LEU CA C 96 56.800 56.800 57.676 -0.876 18220 9347 1 18 . 1 1 105 105 LEU CB C 96 40.951 40.951 40.703 0.248 18220 9348 1 18 . 1 1 105 105 LEU H H 96 7.893 7.893 8.068 -0.175 18220 9349 1 18 . 1 1 106 106 LEU N N 97 118.471 118.471 119.183 -0.712 18220 9350 1 18 . 1 1 106 106 LEU HA H 97 4.180 4.180 4.000 0.180 18220 9351 1 18 . 1 1 106 106 LEU C C 97 175.802 175.802 178.663 -2.861 18220 9352 1 18 . 1 1 106 106 LEU CA C 97 56.300 56.300 57.512 -1.212 18220 9353 1 18 . 1 1 106 106 LEU CB C 97 41.592 41.592 41.723 -0.131 18220 9354 1 18 . 1 1 106 106 LEU H H 97 7.545 7.545 8.035 -0.490 18220 9355 1 18 . 1 1 107 107 LEU N N 98 118.162 118.162 118.163 -0.001 18220 9356 1 18 . 1 1 107 107 LEU HA H 98 4.230 4.230 4.159 0.071 18220 9357 1 18 . 1 1 107 107 LEU C C 98 174.174 174.174 177.954 -3.780 18220 9358 1 18 . 1 1 107 107 LEU CA C 98 56.283 56.283 55.648 0.635 18220 9359 1 18 . 1 1 107 107 LEU CB C 98 42.362 42.362 42.859 -0.497 18220 9360 1 18 . 1 1 107 107 LEU H H 98 7.688 7.688 8.095 -0.407 18220 9361 1 19 . 1 1 11 11 ASP N N 2 120.536 120.536 121.173 -0.637 18220 9362 1 19 . 1 1 11 11 ASP CA C 2 55.918 55.918 54.643 1.275 18220 9363 1 19 . 1 1 11 11 ASP CB C 2 37.959 37.959 41.614 -3.655 18220 9364 1 19 . 1 1 11 11 ASP H H 2 7.863 7.863 8.323 -0.460 18220 9365 1 19 . 1 1 12 12 LEU N N 3 121.414 121.414 122.423 -1.009 18220 9366 1 19 . 1 1 12 12 LEU C C 3 176.162 176.162 175.860 0.302 18220 9367 1 19 . 1 1 12 12 LEU CA C 3 57.600 57.600 54.523 3.077 18220 9368 1 19 . 1 1 12 12 LEU CB C 3 41.657 41.657 43.110 -1.453 18220 9369 1 19 . 1 1 12 12 LEU H H 3 8.285 8.285 7.707 0.578 18220 9370 1 19 . 1 1 13 13 ILE N N 4 118.854 118.854 123.034 -4.180 18220 9371 1 19 . 1 1 13 13 ILE HA H 4 3.740 3.740 4.219 -0.479 18220 9372 1 19 . 1 1 13 13 ILE C C 4 175.228 175.228 176.420 -1.192 18220 9373 1 19 . 1 1 13 13 ILE CA C 4 64.500 64.500 61.121 3.379 18220 9374 1 19 . 1 1 13 13 ILE CB C 4 37.102 37.102 41.291 -4.189 18220 9375 1 19 . 1 1 13 13 ILE H H 4 8.031 8.031 8.268 -0.237 18220 9376 1 19 . 1 1 14 14 GLY N N 5 107.478 107.478 113.931 -6.453 18220 9377 1 19 . 1 1 14 14 GLY C C 5 174.424 174.424 174.767 -0.343 18220 9378 1 19 . 1 1 14 14 GLY CA C 5 47.059 47.059 44.700 2.359 18220 9379 1 19 . 1 1 14 14 GLY H H 5 8.148 8.148 8.323 -0.175 18220 9380 1 19 . 1 1 15 15 PHE N N 6 122.774 122.774 120.675 2.099 18220 9381 1 19 . 1 1 15 15 PHE HA H 6 4.480 4.480 4.450 0.030 18220 9382 1 19 . 1 1 15 15 PHE C C 6 175.113 175.113 177.448 -2.335 18220 9383 1 19 . 1 1 15 15 PHE CA C 6 60.017 60.017 60.137 -0.120 18220 9384 1 19 . 1 1 15 15 PHE CB C 6 38.774 38.774 39.536 -0.762 18220 9385 1 19 . 1 1 15 15 PHE H H 6 8.194 8.194 8.618 -0.424 18220 9386 1 19 . 1 1 16 16 GLY N N 7 107.938 107.938 107.981 -0.043 18220 9387 1 19 . 1 1 16 16 GLY C C 7 171.838 171.838 175.860 -4.022 18220 9388 1 19 . 1 1 16 16 GLY CA C 7 47.100 47.100 47.591 -0.491 18220 9389 1 19 . 1 1 16 16 GLY H H 7 8.697 8.697 8.596 0.101 18220 9390 1 19 . 1 1 17 17 TYR N N 8 121.785 121.785 123.340 -1.555 18220 9391 1 19 . 1 1 17 17 TYR HA H 8 4.150 4.150 4.086 0.064 18220 9392 1 19 . 1 1 17 17 TYR C C 8 174.180 174.180 177.602 -3.422 18220 9393 1 19 . 1 1 17 17 TYR CA C 8 61.300 61.300 60.214 1.086 18220 9394 1 19 . 1 1 17 17 TYR CB C 8 37.959 37.959 38.175 -0.216 18220 9395 1 19 . 1 1 17 17 TYR H H 8 8.710 8.710 8.304 0.406 18220 9396 1 19 . 1 1 18 18 ALA N N 9 120.233 120.233 121.110 -0.877 18220 9397 1 19 . 1 1 18 18 ALA HA H 9 3.950 3.950 3.864 0.086 18220 9398 1 19 . 1 1 18 18 ALA C C 9 178.059 178.059 178.807 -0.748 18220 9399 1 19 . 1 1 18 18 ALA CA C 9 54.872 54.872 54.965 -0.093 18220 9400 1 19 . 1 1 18 18 ALA CB C 9 17.562 17.562 17.671 -0.109 18220 9401 1 19 . 1 1 18 18 ALA H H 9 7.843 7.843 8.060 -0.217 18220 9402 1 19 . 1 1 19 19 ALA N N 10 121.797 121.797 120.944 0.853 18220 9403 1 19 . 1 1 19 19 ALA HA H 10 3.950 3.950 4.111 -0.161 18220 9404 1 19 . 1 1 19 19 ALA C C 10 176.191 176.191 179.641 -3.450 18220 9405 1 19 . 1 1 19 19 ALA CA C 10 54.600 54.600 54.674 -0.074 18220 9406 1 19 . 1 1 19 19 ALA CB C 10 17.562 17.562 18.138 -0.576 18220 9407 1 19 . 1 1 19 19 ALA H H 10 8.212 8.212 7.834 0.378 18220 9408 1 19 . 1 1 20 20 LEU N N 11 119.442 119.442 120.432 -0.990 18220 9409 1 19 . 1 1 20 20 LEU HA H 11 3.937 3.937 3.810 0.127 18220 9410 1 19 . 1 1 20 20 LEU C C 11 176.694 176.694 178.603 -1.909 18220 9411 1 19 . 1 1 20 20 LEU CA C 11 57.800 57.800 57.889 -0.089 18220 9412 1 19 . 1 1 20 20 LEU CB C 11 41.222 41.222 42.078 -0.856 18220 9413 1 19 . 1 1 20 20 LEU H H 11 8.065 8.065 7.858 0.207 18220 9414 1 19 . 1 1 21 21 VAL N N 12 118.323 118.323 119.489 -1.166 18220 9415 1 19 . 1 1 21 21 VAL HA H 12 3.640 3.640 3.509 0.131 18220 9416 1 19 . 1 1 21 21 VAL C C 12 176.536 176.536 178.050 -1.514 18220 9417 1 19 . 1 1 21 21 VAL CA C 12 65.400 65.400 67.697 -2.297 18220 9418 1 19 . 1 1 21 21 VAL CB C 12 31.135 31.135 31.658 -0.523 18220 9419 1 19 . 1 1 21 21 VAL H H 12 8.051 8.051 8.415 -0.364 18220 9420 1 19 . 1 1 22 22 THR N N 13 118.298 118.298 116.191 2.107 18220 9421 1 19 . 1 1 22 22 THR HA H 13 4.660 4.660 3.947 0.713 18220 9422 1 19 . 1 1 22 22 THR C C 13 173.734 173.734 176.837 -3.103 18220 9423 1 19 . 1 1 22 22 THR CA C 13 66.300 66.300 66.549 -0.249 18220 9424 1 19 . 1 1 22 22 THR CB C 13 67.775 67.775 68.451 -0.675 18220 9425 1 19 . 1 1 22 22 THR H H 13 7.944 7.944 8.043 -0.099 18220 9426 1 19 . 1 1 23 23 PHE N N 14 121.328 121.328 120.823 0.505 18220 9427 1 19 . 1 1 23 23 PHE HA H 14 4.340 4.340 4.183 0.157 18220 9428 1 19 . 1 1 23 23 PHE C C 14 174.783 174.783 178.093 -3.310 18220 9429 1 19 . 1 1 23 23 PHE CA C 14 60.500 60.500 61.976 -1.476 18220 9430 1 19 . 1 1 23 23 PHE CB C 14 38.626 38.626 38.586 0.040 18220 9431 1 19 . 1 1 23 23 PHE H H 14 8.567 8.567 8.395 0.172 18220 9432 1 19 . 1 1 24 24 GLY N N 15 106.871 106.871 106.417 0.454 18220 9433 1 19 . 1 1 24 24 GLY C C 15 172.858 172.858 176.231 -3.373 18220 9434 1 19 . 1 1 24 24 GLY CA C 15 46.900 46.900 47.042 -0.142 18220 9435 1 19 . 1 1 24 24 GLY H H 15 8.475 8.475 8.351 0.124 18220 9436 1 19 . 1 1 25 25 SER N N 16 116.214 116.214 118.004 -1.790 18220 9437 1 19 . 1 1 25 25 SER HA H 16 4.280 4.280 4.152 0.128 18220 9438 1 19 . 1 1 25 25 SER CA C 16 60.300 60.300 61.837 -1.537 18220 9439 1 19 . 1 1 25 25 SER CB C 16 62.879 62.879 63.045 -0.166 18220 9440 1 19 . 1 1 25 25 SER H H 16 7.963 7.963 8.382 -0.419 18220 9441 1 19 . 1 1 26 26 ILE N N 17 121.024 121.024 121.574 -0.550 18220 9442 1 19 . 1 1 26 26 ILE HA H 17 3.946 3.946 3.727 0.219 18220 9443 1 19 . 1 1 26 26 ILE C C 17 173.935 173.935 177.814 -3.879 18220 9444 1 19 . 1 1 26 26 ILE CA C 17 63.100 63.100 64.674 -1.574 18220 9445 1 19 . 1 1 26 26 ILE CB C 17 38.107 38.107 38.135 -0.028 18220 9446 1 19 . 1 1 26 26 ILE H H 17 7.676 7.676 8.302 -0.626 18220 9447 1 19 . 1 1 27 27 PHE N N 18 117.142 117.142 119.565 -2.423 18220 9448 1 19 . 1 1 27 27 PHE HA H 18 4.430 4.430 4.219 0.211 18220 9449 1 19 . 1 1 27 27 PHE C C 18 173.504 173.504 177.306 -3.802 18220 9450 1 19 . 1 1 27 27 PHE CA C 18 58.500 58.500 60.759 -2.259 18220 9451 1 19 . 1 1 27 27 PHE CB C 18 38.774 38.774 39.140 -0.366 18220 9452 1 19 . 1 1 27 27 PHE H H 18 7.703 7.703 8.153 -0.450 18220 9453 1 19 . 1 1 28 28 GLY N N 19 107.303 107.303 104.172 3.131 18220 9454 1 19 . 1 1 28 28 GLY C C 19 171.593 171.593 173.960 -2.367 18220 9455 1 19 . 1 1 28 28 GLY CA C 19 45.600 45.600 45.169 0.431 18220 9456 1 19 . 1 1 28 28 GLY H H 19 7.722 7.722 7.770 -0.048 18220 9457 1 19 . 1 1 29 29 TYR N N 20 119.862 119.862 119.498 0.364 18220 9458 1 19 . 1 1 29 29 TYR HA H 20 4.392 4.392 4.126 0.266 18220 9459 1 19 . 1 1 29 29 TYR C C 20 173.174 173.174 173.948 -0.774 18220 9460 1 19 . 1 1 29 29 TYR CA C 20 58.500 58.500 58.890 -0.390 18220 9461 1 19 . 1 1 29 29 TYR CB C 20 38.404 38.404 36.947 1.458 18220 9462 1 19 . 1 1 29 29 TYR H H 20 7.880 7.880 7.901 -0.021 18220 9463 1 19 . 1 1 30 30 LYS N N 21 122.335 122.335 127.832 -5.497 18220 9464 1 19 . 1 1 30 30 LYS HA H 21 4.390 4.390 4.585 -0.195 18220 9465 1 19 . 1 1 30 30 LYS C C 21 173.547 173.547 177.085 -3.538 18220 9466 1 19 . 1 1 30 30 LYS CA C 21 55.800 55.800 55.300 0.500 18220 9467 1 19 . 1 1 30 30 LYS CB C 21 32.396 32.396 35.197 -2.801 18220 9468 1 19 . 1 1 30 30 LYS H H 21 7.934 7.934 8.030 -0.096 18220 9469 1 19 . 1 1 31 31 ARG N N 22 120.612 120.612 119.012 1.600 18220 9470 1 19 . 1 1 31 31 ARG C C 22 173.547 173.547 175.940 -2.393 18220 9471 1 19 . 1 1 31 31 ARG CA C 22 55.834 55.834 58.121 -2.287 18220 9472 1 19 . 1 1 31 31 ARG CB C 22 30.101 30.101 29.762 0.339 18220 9473 1 19 . 1 1 31 31 ARG H H 22 7.905 7.905 8.718 -0.813 18220 9474 1 19 . 1 1 32 32 ARG N N 23 121.748 121.748 117.392 4.356 18220 9475 1 19 . 1 1 32 32 ARG HA H 23 4.310 4.310 4.451 -0.141 18220 9476 1 19 . 1 1 32 32 ARG C C 23 173.863 173.863 175.567 -1.704 18220 9477 1 19 . 1 1 32 32 ARG CA C 23 55.800 55.800 55.769 0.031 18220 9478 1 19 . 1 1 32 32 ARG CB C 23 30.245 30.245 31.664 -1.419 18220 9479 1 19 . 1 1 32 32 ARG H H 23 8.175 8.175 8.211 -0.036 18220 9480 1 19 . 1 1 33 33 GLY N N 24 109.528 109.528 108.418 1.110 18220 9481 1 19 . 1 1 33 33 GLY C C 24 171.752 171.752 174.229 -2.477 18220 9482 1 19 . 1 1 33 33 GLY CA C 24 44.900 44.900 44.944 -0.044 18220 9483 1 19 . 1 1 33 33 GLY H H 24 8.264 8.264 8.527 -0.263 18220 9484 1 19 . 1 1 34 34 GLY N N 25 108.563 108.563 109.787 -1.224 18220 9485 1 19 . 1 1 34 34 GLY C C 25 171.701 171.701 174.087 -2.386 18220 9486 1 19 . 1 1 34 34 GLY CA C 25 44.600 44.600 44.296 0.304 18220 9487 1 19 . 1 1 34 34 GLY H H 25 8.208 8.208 7.958 0.249 18220 9488 1 19 . 1 1 35 35 VAL N N 26 121.164 121.164 115.266 5.898 18220 9489 1 19 . 1 1 35 35 VAL HA H 26 4.010 4.010 3.839 0.171 18220 9490 1 19 . 1 1 35 35 VAL C C 26 175.888 175.888 173.840 2.048 18220 9491 1 19 . 1 1 35 35 VAL CA C 26 63.900 63.900 61.920 1.980 18220 9492 1 19 . 1 1 35 35 VAL CB C 26 30.690 30.690 30.906 -0.216 18220 9493 1 19 . 1 1 35 35 VAL H H 26 8.485 8.485 8.117 0.368 18220 9494 1 19 . 1 1 36 36 PRO C C 27 177.660 177.660 178.145 -0.485 18220 9495 1 19 . 1 1 36 36 PRO CA C 27 61.847 61.847 62.955 -1.108 18220 9496 1 19 . 1 1 37 37 SER N N 28 116.023 116.023 114.502 1.521 18220 9497 1 19 . 1 1 37 37 SER HA H 28 4.280 4.280 4.044 0.236 18220 9498 1 19 . 1 1 37 37 SER CA C 28 61.100 61.100 60.493 0.607 18220 9499 1 19 . 1 1 37 37 SER H H 28 7.948 7.948 8.564 -0.616 18220 9500 1 19 . 1 1 38 38 LEU N N 29 124.029 124.029 122.374 1.655 18220 9501 1 19 . 1 1 38 38 LEU HA H 29 4.170 4.170 3.990 0.180 18220 9502 1 19 . 1 1 38 38 LEU C C 29 176.132 176.132 178.422 -2.290 18220 9503 1 19 . 1 1 38 38 LEU CA C 29 57.500 57.500 57.910 -0.409 18220 9504 1 19 . 1 1 38 38 LEU CB C 29 42.038 42.038 41.772 0.266 18220 9505 1 19 . 1 1 38 38 LEU H H 29 8.201 8.201 8.257 -0.056 18220 9506 1 19 . 1 1 39 39 ILE N N 30 117.098 117.098 117.957 -0.859 18220 9507 1 19 . 1 1 39 39 ILE HA H 30 4.370 4.370 3.627 0.743 18220 9508 1 19 . 1 1 39 39 ILE C C 30 176.478 176.478 177.732 -1.254 18220 9509 1 19 . 1 1 39 39 ILE CA C 30 63.079 63.079 65.447 -2.368 18220 9510 1 19 . 1 1 39 39 ILE CB C 30 36.973 36.973 37.221 -0.248 18220 9511 1 19 . 1 1 39 39 ILE H H 30 7.662 7.662 7.487 0.175 18220 9512 1 19 . 1 1 40 40 ALA N N 31 122.447 122.447 121.702 0.745 18220 9513 1 19 . 1 1 40 40 ALA HA H 31 4.034 4.034 3.942 0.092 18220 9514 1 19 . 1 1 40 40 ALA C C 31 177.067 177.067 179.714 -2.647 18220 9515 1 19 . 1 1 40 40 ALA CA C 31 55.962 55.962 55.160 0.802 18220 9516 1 19 . 1 1 40 40 ALA CB C 31 17.856 17.856 17.711 0.145 18220 9517 1 19 . 1 1 40 40 ALA H H 31 8.096 8.096 7.976 0.120 18220 9518 1 19 . 1 1 41 41 GLY N N 32 104.056 104.056 106.707 -2.651 18220 9519 1 19 . 1 1 41 41 GLY C C 32 174.251 174.251 176.450 -2.199 18220 9520 1 19 . 1 1 41 41 GLY CA C 32 46.500 46.500 46.783 -0.283 18220 9521 1 19 . 1 1 41 41 GLY H H 32 8.123 8.123 8.127 -0.004 18220 9522 1 19 . 1 1 42 42 LEU N N 33 123.250 123.250 122.674 0.576 18220 9523 1 19 . 1 1 42 42 LEU HA H 33 3.857 3.857 4.181 -0.324 18220 9524 1 19 . 1 1 42 42 LEU C C 33 176.033 176.033 178.829 -2.796 18220 9525 1 19 . 1 1 42 42 LEU CA C 33 56.668 56.668 57.256 -0.588 18220 9526 1 19 . 1 1 42 42 LEU CB C 33 41.721 41.721 42.201 -0.480 18220 9527 1 19 . 1 1 42 42 LEU H H 33 7.914 7.914 8.144 -0.230 18220 9528 1 19 . 1 1 43 43 PHE N N 34 119.757 119.757 120.104 -0.347 18220 9529 1 19 . 1 1 43 43 PHE HA H 34 4.200 4.200 4.095 0.105 18220 9530 1 19 . 1 1 43 43 PHE C C 34 174.374 174.374 178.026 -3.652 18220 9531 1 19 . 1 1 43 43 PHE CA C 34 59.876 59.876 62.751 -2.875 18220 9532 1 19 . 1 1 43 43 PHE CB C 34 38.834 38.834 38.649 0.185 18220 9533 1 19 . 1 1 43 43 PHE H H 34 8.287 8.287 8.485 -0.198 18220 9534 1 19 . 1 1 44 44 VAL N N 35 117.791 117.791 118.071 -0.280 18220 9535 1 19 . 1 1 44 44 VAL HA H 35 3.610 3.610 3.710 -0.100 18220 9536 1 19 . 1 1 44 44 VAL C C 35 176.205 176.205 178.420 -2.215 18220 9537 1 19 . 1 1 44 44 VAL CA C 35 64.559 64.559 66.697 -2.138 18220 9538 1 19 . 1 1 44 44 VAL CB C 35 31.432 31.432 30.814 0.618 18220 9539 1 19 . 1 1 44 44 VAL H H 35 8.235 8.235 8.495 -0.260 18220 9540 1 19 . 1 1 45 45 GLY N N 36 108.551 108.551 107.618 0.933 18220 9541 1 19 . 1 1 45 45 GLY C C 36 173.749 173.749 175.851 -2.102 18220 9542 1 19 . 1 1 45 45 GLY CA C 36 46.083 46.083 47.529 -1.446 18220 9543 1 19 . 1 1 45 45 GLY H H 36 8.178 8.178 8.257 -0.079 18220 9544 1 19 . 1 1 46 46 CYS N N 37 121.173 121.173 120.319 0.854 18220 9545 1 19 . 1 1 46 46 CYS HA H 37 4.180 4.180 4.008 0.172 18220 9546 1 19 . 1 1 46 46 CYS C C 37 173.710 173.710 176.999 -3.289 18220 9547 1 19 . 1 1 46 46 CYS CA C 37 63.000 63.000 62.658 0.342 18220 9548 1 19 . 1 1 46 46 CYS CB C 37 60.283 60.283 27.367 32.916 18220 9549 1 19 . 1 1 46 46 CYS H H 37 8.253 8.253 8.183 0.070 18220 9550 1 19 . 1 1 47 47 LEU N N 38 120.283 120.283 121.816 -1.533 18220 9551 1 19 . 1 1 47 47 LEU HA H 38 4.060 4.060 3.821 0.239 18220 9552 1 19 . 1 1 47 47 LEU C C 38 176.679 176.679 178.545 -1.866 18220 9553 1 19 . 1 1 47 47 LEU CA C 38 56.027 56.027 58.388 -2.361 18220 9554 1 19 . 1 1 47 47 LEU CB C 38 41.464 41.464 41.783 -0.319 18220 9555 1 19 . 1 1 47 47 LEU H H 38 7.965 7.965 7.843 0.122 18220 9556 1 19 . 1 1 48 48 ALA N N 39 122.249 122.249 120.864 1.385 18220 9557 1 19 . 1 1 48 48 ALA HA H 39 4.142 4.142 4.067 0.075 18220 9558 1 19 . 1 1 48 48 ALA C C 39 177.915 177.915 179.722 -1.807 18220 9559 1 19 . 1 1 48 48 ALA CA C 39 53.717 53.717 55.150 -1.433 18220 9560 1 19 . 1 1 48 48 ALA CB C 39 17.985 17.985 18.160 -0.175 18220 9561 1 19 . 1 1 48 48 ALA H H 39 8.066 8.066 8.221 -0.155 18220 9562 1 19 . 1 1 49 49 GLY N N 40 107.377 107.377 107.667 -0.290 18220 9563 1 19 . 1 1 49 49 GLY C C 40 172.527 172.527 175.753 -3.226 18220 9564 1 19 . 1 1 49 49 GLY CA C 40 45.450 45.450 47.278 -1.828 18220 9565 1 19 . 1 1 49 49 GLY H H 40 8.172 8.172 8.265 -0.093 18220 9566 1 19 . 1 1 50 50 TYR N N 41 122.409 122.409 124.584 -2.175 18220 9567 1 19 . 1 1 50 50 TYR HA H 41 3.799 3.799 4.052 -0.253 18220 9568 1 19 . 1 1 50 50 TYR C C 41 174.208 174.208 178.022 -3.814 18220 9569 1 19 . 1 1 50 50 TYR CA C 41 59.245 59.245 61.281 -2.036 18220 9570 1 19 . 1 1 50 50 TYR CB C 41 37.936 37.936 38.093 -0.157 18220 9571 1 19 . 1 1 50 50 TYR H H 41 7.800 7.800 8.101 -0.301 18220 9572 1 19 . 1 1 51 51 GLY N N 42 106.935 106.935 105.977 0.958 18220 9573 1 19 . 1 1 51 51 GLY C C 42 172.642 172.642 175.687 -3.045 18220 9574 1 19 . 1 1 51 51 GLY CA C 42 46.265 46.265 47.077 -0.812 18220 9575 1 19 . 1 1 51 51 GLY H H 42 8.199 8.199 8.383 -0.184 18220 9576 1 19 . 1 1 52 52 ALA N N 43 123.018 123.018 126.096 -3.078 18220 9577 1 19 . 1 1 52 52 ALA HA H 43 4.150 4.150 4.475 -0.325 18220 9578 1 19 . 1 1 52 52 ALA C C 43 176.398 176.398 179.782 -3.384 18220 9579 1 19 . 1 1 52 52 ALA CA C 43 52.883 52.883 54.457 -1.574 18220 9580 1 19 . 1 1 52 52 ALA CB C 43 18.241 18.241 18.478 -0.237 18220 9581 1 19 . 1 1 52 52 ALA H H 43 7.758 7.758 8.331 -0.573 18220 9582 1 19 . 1 1 53 53 TYR N N 44 119.664 119.664 118.423 1.241 18220 9583 1 19 . 1 1 53 53 TYR HA H 44 4.318 4.318 4.286 0.032 18220 9584 1 19 . 1 1 53 53 TYR C C 44 174.180 174.180 177.020 -2.840 18220 9585 1 19 . 1 1 53 53 TYR CA C 44 58.593 58.593 60.688 -2.095 18220 9586 1 19 . 1 1 53 53 TYR CB C 44 38.192 38.192 38.554 -0.362 18220 9587 1 19 . 1 1 53 53 TYR H H 44 7.920 7.920 7.987 -0.067 18220 9588 1 19 . 1 1 54 54 ARG N N 45 119.516 119.516 118.563 0.953 18220 9589 1 19 . 1 1 54 54 ARG HA H 45 3.930 3.930 4.137 -0.207 18220 9590 1 19 . 1 1 54 54 ARG C C 45 174.423 174.423 175.478 -1.055 18220 9591 1 19 . 1 1 54 54 ARG CA C 45 56.027 56.027 57.439 -1.412 18220 9592 1 19 . 1 1 54 54 ARG CB C 45 30.173 30.173 32.291 -2.118 18220 9593 1 19 . 1 1 54 54 ARG H H 45 7.956 7.956 7.832 0.124 18220 9594 1 19 . 1 1 55 55 VAL N N 46 116.437 116.437 114.933 1.504 18220 9595 1 19 . 1 1 55 55 VAL HA H 46 4.060 4.060 4.249 -0.189 18220 9596 1 19 . 1 1 55 55 VAL C C 46 173.806 173.806 173.928 -0.122 18220 9597 1 19 . 1 1 55 55 VAL CA C 46 62.300 62.300 62.272 0.028 18220 9598 1 19 . 1 1 55 55 VAL CB C 46 31.521 31.521 34.027 -2.506 18220 9599 1 19 . 1 1 55 55 VAL H H 46 7.489 7.489 8.387 -0.898 18220 9600 1 19 . 1 1 56 56 SER N N 47 117.185 117.185 117.404 -0.219 18220 9601 1 19 . 1 1 56 56 SER HA H 47 4.401 4.401 4.146 0.255 18220 9602 1 19 . 1 1 56 56 SER C C 47 172.074 172.074 173.412 -1.338 18220 9603 1 19 . 1 1 56 56 SER CA C 47 58.133 58.133 59.013 -0.880 18220 9604 1 19 . 1 1 56 56 SER CB C 47 63.468 63.468 62.992 0.476 18220 9605 1 19 . 1 1 56 56 SER H H 47 7.728 7.728 8.657 -0.929 18220 9606 1 19 . 1 1 57 57 ASN N N 48 121.049 121.049 120.026 1.023 18220 9607 1 19 . 1 1 57 57 ASN HA H 48 4.590 4.590 4.369 0.221 18220 9608 1 19 . 1 1 57 57 ASN CA C 48 53.600 53.600 53.842 -0.242 18220 9609 1 19 . 1 1 57 57 ASN CB C 48 38.641 38.641 37.417 1.224 18220 9610 1 19 . 1 1 57 57 ASN H H 48 8.228 8.228 8.582 -0.354 18220 9611 1 19 . 1 1 58 58 ASP N N 49 120.276 120.276 117.355 2.921 18220 9612 1 19 . 1 1 58 58 ASP HA H 49 4.530 4.530 4.109 0.421 18220 9613 1 19 . 1 1 58 58 ASP CA C 49 54.202 54.202 56.044 -1.842 18220 9614 1 19 . 1 1 58 58 ASP CB C 49 40.374 40.374 39.659 0.715 18220 9615 1 19 . 1 1 58 58 ASP H H 49 8.192 8.192 8.600 -0.408 18220 9616 1 19 . 1 1 59 59 LYS N N 50 120.660 120.660 118.766 1.894 18220 9617 1 19 . 1 1 59 59 LYS HA H 50 4.200 4.200 3.885 0.315 18220 9618 1 19 . 1 1 59 59 LYS C C 50 173.474 173.474 175.167 -1.693 18220 9619 1 19 . 1 1 59 59 LYS CA C 50 56.300 56.300 57.319 -1.019 18220 9620 1 19 . 1 1 59 59 LYS CB C 50 32.034 32.034 31.530 0.504 18220 9621 1 19 . 1 1 59 59 LYS H H 50 8.003 8.003 8.248 -0.245 18220 9622 1 19 . 1 1 60 60 ARG N N 51 121.278 121.278 119.660 1.618 18220 9623 1 19 . 1 1 60 60 ARG HA H 51 4.200 4.200 4.478 -0.278 18220 9624 1 19 . 1 1 60 60 ARG C C 51 173.303 173.303 173.841 -0.538 18220 9625 1 19 . 1 1 60 60 ARG CA C 51 56.283 56.283 55.580 0.703 18220 9626 1 19 . 1 1 60 60 ARG CB C 51 30.238 30.238 32.664 -2.426 18220 9627 1 19 . 1 1 60 60 ARG H H 51 8.091 8.091 8.039 0.052 18220 9628 1 19 . 1 1 61 61 ASP N N 52 121.185 121.185 124.808 -3.623 18220 9629 1 19 . 1 1 61 61 ASP HA H 52 4.615 4.615 5.033 -0.418 18220 9630 1 19 . 1 1 61 61 ASP C C 52 173.777 173.777 174.829 -1.052 18220 9631 1 19 . 1 1 61 61 ASP CA C 52 53.979 53.979 53.807 0.172 18220 9632 1 19 . 1 1 61 61 ASP CB C 52 40.245 40.245 41.240 -0.995 18220 9633 1 19 . 1 1 61 61 ASP H H 52 8.261 8.261 8.751 -0.490 18220 9634 1 19 . 1 1 62 62 VAL N N 53 121.902 121.902 118.884 3.018 18220 9635 1 19 . 1 1 62 62 VAL HA H 53 3.950 3.950 4.160 -0.210 18220 9636 1 19 . 1 1 62 62 VAL C C 53 173.279 173.279 175.304 -2.025 18220 9637 1 19 . 1 1 62 62 VAL CA C 53 63.176 63.176 64.555 -1.379 18220 9638 1 19 . 1 1 62 62 VAL CB C 53 32.099 32.099 32.635 -0.536 18220 9639 1 19 . 1 1 62 62 VAL H H 53 7.997 7.997 7.760 0.237 18220 9640 1 19 . 1 1 63 63 LYS N N 54 123.522 123.522 120.739 2.783 18220 9641 1 19 . 1 1 63 63 LYS HA H 54 4.260 4.260 4.364 -0.104 18220 9642 1 19 . 1 1 63 63 LYS C C 54 174.481 174.481 178.294 -3.813 18220 9643 1 19 . 1 1 63 63 LYS CA C 54 56.347 56.347 59.312 -2.965 18220 9644 1 19 . 1 1 63 63 LYS CB C 54 32.099 32.099 32.586 -0.487 18220 9645 1 19 . 1 1 63 63 LYS H H 54 8.054 8.054 8.292 -0.238 18220 9646 1 19 . 1 1 64 64 VAL N N 55 120.647 120.647 118.519 2.128 18220 9647 1 19 . 1 1 64 64 VAL HA H 55 3.947 3.947 3.873 0.074 18220 9648 1 19 . 1 1 64 64 VAL C C 55 174.955 174.955 177.838 -2.883 18220 9649 1 19 . 1 1 64 64 VAL CA C 55 64.600 64.600 65.559 -0.960 18220 9650 1 19 . 1 1 64 64 VAL CB C 55 31.877 31.877 30.626 1.251 18220 9651 1 19 . 1 1 64 64 VAL H H 55 8.225 8.225 8.198 0.027 18220 9652 1 19 . 1 1 65 65 SER N N 56 117.785 117.785 115.479 2.306 18220 9653 1 19 . 1 1 65 65 SER HA H 56 4.390 4.390 4.143 0.247 18220 9654 1 19 . 1 1 65 65 SER C C 56 172.300 172.300 176.929 -4.629 18220 9655 1 19 . 1 1 65 65 SER CA C 56 60.000 60.000 62.075 -2.075 18220 9656 1 19 . 1 1 65 65 SER CB C 56 62.879 62.879 62.556 0.323 18220 9657 1 19 . 1 1 65 65 SER H H 56 8.260 8.260 8.295 -0.035 18220 9658 1 19 . 1 1 66 66 LEU N N 57 123.318 123.318 122.231 1.087 18220 9659 1 19 . 1 1 66 66 LEU HA H 57 4.090 4.090 4.018 0.072 18220 9660 1 19 . 1 1 66 66 LEU C C 57 175.932 175.932 178.811 -2.879 18220 9661 1 19 . 1 1 66 66 LEU CA C 57 57.502 57.502 57.712 -0.210 18220 9662 1 19 . 1 1 66 66 LEU CB C 57 41.721 41.721 41.892 -0.172 18220 9663 1 19 . 1 1 66 66 LEU H H 57 8.091 8.091 7.865 0.226 18220 9664 1 19 . 1 1 67 67 PHE N N 58 118.020 118.020 118.396 -0.376 18220 9665 1 19 . 1 1 67 67 PHE HA H 58 4.330 4.330 4.262 0.068 18220 9666 1 19 . 1 1 67 67 PHE C C 58 174.912 174.912 178.149 -3.237 18220 9667 1 19 . 1 1 67 67 PHE CA C 58 60.600 60.600 62.082 -1.482 18220 9668 1 19 . 1 1 67 67 PHE CB C 58 38.552 38.552 38.841 -0.289 18220 9669 1 19 . 1 1 67 67 PHE H H 58 8.066 8.066 8.479 -0.413 18220 9670 1 19 . 1 1 68 68 THR N N 59 115.324 115.324 117.408 -2.084 18220 9671 1 19 . 1 1 68 68 THR HA H 59 4.310 4.310 4.178 0.132 18220 9672 1 19 . 1 1 68 68 THR C C 59 173.380 173.380 176.394 -3.014 18220 9673 1 19 . 1 1 68 68 THR CA C 59 66.313 66.313 67.686 -1.373 18220 9674 1 19 . 1 1 68 68 THR CB C 59 67.700 67.700 68.937 -1.237 18220 9675 1 19 . 1 1 68 68 THR H H 59 8.287 8.287 8.412 -0.125 18220 9676 1 19 . 1 1 69 69 ALA N N 60 123.621 123.621 124.553 -0.932 18220 9677 1 19 . 1 1 69 69 ALA HA H 60 4.280 4.280 4.155 0.125 18220 9678 1 19 . 1 1 69 69 ALA C C 60 176.978 176.978 179.163 -2.185 18220 9679 1 19 . 1 1 69 69 ALA CA C 60 55.100 55.100 55.180 -0.080 18220 9680 1 19 . 1 1 69 69 ALA CB C 60 17.728 17.728 18.081 -0.353 18220 9681 1 19 . 1 1 69 69 ALA H H 60 7.983 7.983 8.268 -0.285 18220 9682 1 19 . 1 1 70 70 PHE N N 61 118.520 118.520 119.761 -1.241 18220 9683 1 19 . 1 1 70 70 PHE HA H 61 4.260 4.260 3.973 0.287 18220 9684 1 19 . 1 1 70 70 PHE C C 61 175.369 175.369 176.996 -1.627 18220 9685 1 19 . 1 1 70 70 PHE CA C 61 60.179 60.179 62.359 -2.180 18220 9686 1 19 . 1 1 70 70 PHE CB C 61 38.706 38.706 39.143 -0.437 18220 9687 1 19 . 1 1 70 70 PHE H H 61 8.007 8.007 8.298 -0.291 18220 9688 1 19 . 1 1 71 71 PHE N N 62 122.314 122.314 118.537 3.777 18220 9689 1 19 . 1 1 71 71 PHE HA H 62 4.000 4.000 4.429 -0.429 18220 9690 1 19 . 1 1 71 71 PHE C C 62 174.697 174.697 178.421 -3.724 18220 9691 1 19 . 1 1 71 71 PHE CA C 62 60.517 60.517 61.280 -0.763 18220 9692 1 19 . 1 1 71 71 PHE CB C 62 38.770 38.770 38.909 -0.139 18220 9693 1 19 . 1 1 71 71 PHE H H 62 8.546 8.546 8.437 0.109 18220 9694 1 19 . 1 1 72 72 LEU N N 63 119.399 119.399 120.971 -1.572 18220 9695 1 19 . 1 1 72 72 LEU HA H 63 3.870 3.870 3.944 -0.074 18220 9696 1 19 . 1 1 72 72 LEU C C 63 175.774 175.774 178.928 -3.154 18220 9697 1 19 . 1 1 72 72 LEU CA C 63 56.925 56.925 57.900 -0.975 18220 9698 1 19 . 1 1 72 72 LEU CB C 63 41.207 41.207 40.886 0.321 18220 9699 1 19 . 1 1 72 72 LEU H H 63 8.396 8.396 8.304 0.092 18220 9700 1 19 . 1 1 73 73 ALA N N 64 120.221 120.221 120.498 -0.277 18220 9701 1 19 . 1 1 73 73 ALA HA H 64 3.960 3.960 3.795 0.165 18220 9702 1 19 . 1 1 73 73 ALA C C 64 177.267 177.267 179.332 -2.065 18220 9703 1 19 . 1 1 73 73 ALA CA C 64 54.600 54.600 55.471 -0.871 18220 9704 1 19 . 1 1 73 73 ALA CB C 64 17.784 17.784 18.141 -0.357 18220 9705 1 19 . 1 1 73 73 ALA H H 64 8.025 8.025 8.282 -0.257 18220 9706 1 19 . 1 1 74 74 THR N N 65 113.648 113.648 111.338 2.310 18220 9707 1 19 . 1 1 74 74 THR HA H 65 3.980 3.980 3.874 0.106 18220 9708 1 19 . 1 1 74 74 THR CA C 65 66.291 66.291 65.609 0.682 18220 9709 1 19 . 1 1 74 74 THR CB C 65 67.914 67.914 68.675 -0.761 18220 9710 1 19 . 1 1 74 74 THR H H 65 7.717 7.717 7.980 -0.263 18220 9711 1 19 . 1 1 75 75 ILE N N 66 120.291 120.291 120.253 0.038 18220 9712 1 19 . 1 1 75 75 ILE HA H 66 3.740 3.740 3.891 -0.151 18220 9713 1 19 . 1 1 75 75 ILE C C 66 174.951 174.951 177.122 -2.171 18220 9714 1 19 . 1 1 75 75 ILE CA C 66 64.880 64.880 63.595 1.285 18220 9715 1 19 . 1 1 75 75 ILE CB C 66 37.166 37.166 38.291 -1.125 18220 9716 1 19 . 1 1 75 75 ILE H H 66 7.738 7.738 7.899 -0.161 18220 9717 1 19 . 1 1 76 76 MET N N 67 117.618 117.618 118.409 -0.791 18220 9718 1 19 . 1 1 76 76 MET HA H 67 4.220 4.220 4.479 -0.259 18220 9719 1 19 . 1 1 76 76 MET C C 67 175.142 175.142 177.009 -1.867 18220 9720 1 19 . 1 1 76 76 MET CA C 67 56.723 56.723 56.724 -0.001 18220 9721 1 19 . 1 1 76 76 MET CB C 67 31.951 31.951 34.678 -2.727 18220 9722 1 19 . 1 1 76 76 MET H H 67 7.823 7.823 8.124 -0.301 18220 9723 1 19 . 1 1 77 77 GLY N N 68 107.110 107.110 107.069 0.041 18220 9724 1 19 . 1 1 77 77 GLY C C 68 172.260 172.260 173.175 -0.915 18220 9725 1 19 . 1 1 77 77 GLY CA C 68 45.800 45.800 44.494 1.306 18220 9726 1 19 . 1 1 77 77 GLY H H 68 7.937 7.937 8.570 -0.633 18220 9727 1 19 . 1 1 78 78 VAL N N 69 120.431 120.431 120.883 -0.452 18220 9728 1 19 . 1 1 78 78 VAL HA H 69 4.220 4.220 4.310 -0.090 18220 9729 1 19 . 1 1 78 78 VAL CA C 69 63.900 63.900 61.129 2.771 18220 9730 1 19 . 1 1 78 78 VAL CB C 69 31.506 31.506 32.267 -0.761 18220 9731 1 19 . 1 1 78 78 VAL H H 69 7.697 7.697 7.416 0.281 18220 9732 1 19 . 1 1 79 79 ARG N N 70 121.420 121.420 129.673 -8.253 18220 9733 1 19 . 1 1 79 79 ARG HA H 70 3.810 3.810 4.330 -0.520 18220 9734 1 19 . 1 1 79 79 ARG CA C 70 56.400 56.400 55.223 1.177 18220 9735 1 19 . 1 1 79 79 ARG CB C 70 30.097 30.097 28.975 1.122 18220 9736 1 19 . 1 1 79 79 ARG H H 70 7.889 7.889 8.676 -0.787 18220 9737 1 19 . 1 1 80 80 PHE N N 71 119.949 119.949 122.555 -2.606 18220 9738 1 19 . 1 1 80 80 PHE HA H 71 4.510 4.510 4.146 0.364 18220 9739 1 19 . 1 1 80 80 PHE CA C 71 58.600 58.600 58.802 -0.202 18220 9740 1 19 . 1 1 80 80 PHE CB C 71 39.145 39.145 38.238 0.907 18220 9741 1 19 . 1 1 80 80 PHE H H 71 8.101 8.101 7.834 0.267 18220 9742 1 19 . 1 1 81 81 LYS N N 72 122.193 122.193 121.999 0.194 18220 9743 1 19 . 1 1 81 81 LYS CA C 72 56.800 56.800 56.986 -0.187 18220 9744 1 19 . 1 1 81 81 LYS CB C 72 32.322 32.322 33.043 -0.721 18220 9745 1 19 . 1 1 81 81 LYS H H 72 8.090 8.090 8.110 -0.020 18220 9746 1 19 . 1 1 82 82 ARG N N 73 119.650 119.650 123.209 -3.559 18220 9747 1 19 . 1 1 82 82 ARG CA C 73 56.089 56.089 56.938 -0.849 18220 9748 1 19 . 1 1 82 82 ARG CB C 73 30.171 30.171 31.127 -0.956 18220 9749 1 19 . 1 1 82 82 ARG H H 73 8.052 8.052 8.657 -0.605 18220 9750 1 19 . 1 1 83 83 SER N N 74 115.734 115.734 115.373 0.361 18220 9751 1 19 . 1 1 83 83 SER CA C 74 58.355 58.355 57.306 1.049 18220 9752 1 19 . 1 1 83 83 SER CB C 74 63.404 63.404 64.076 -0.672 18220 9753 1 19 . 1 1 83 83 SER H H 74 7.912 7.912 7.890 0.022 18220 9754 1 19 . 1 1 84 84 LYS N N 75 122.370 122.370 123.513 -1.143 18220 9755 1 19 . 1 1 84 84 LYS CA C 75 56.135 56.135 58.512 -2.377 18220 9756 1 19 . 1 1 84 84 LYS CB C 75 32.175 32.175 32.791 -0.616 18220 9757 1 19 . 1 1 84 84 LYS H H 75 8.067 8.067 8.645 -0.578 18220 9758 1 19 . 1 1 86 86 ILE N N 77 119.592 119.592 119.351 0.241 18220 9759 1 19 . 1 1 86 86 ILE HA H 77 3.810 3.810 3.933 -0.123 18220 9760 1 19 . 1 1 86 86 ILE CA C 77 64.900 64.900 62.411 2.489 18220 9761 1 19 . 1 1 86 86 ILE CB C 77 39.145 39.145 37.062 2.083 18220 9762 1 19 . 1 1 86 86 ILE H H 77 7.837 7.837 8.740 -0.903 18220 9763 1 19 . 1 1 87 87 MET N N 78 121.645 121.645 117.456 4.189 18220 9764 1 19 . 1 1 87 87 MET CA C 78 52.982 52.982 56.769 -3.787 18220 9765 1 19 . 1 1 87 87 MET CB C 78 32.173 32.173 32.052 0.121 18220 9766 1 19 . 1 1 87 87 MET H H 78 7.950 7.950 8.020 -0.070 18220 9767 1 19 . 1 1 88 88 PRO HA H 79 4.140 4.140 4.502 -0.362 18220 9768 1 19 . 1 1 88 88 PRO C C 79 173.921 173.921 177.892 -3.971 18220 9769 1 19 . 1 1 88 88 PRO CA C 79 62.800 62.800 65.019 -2.219 18220 9770 1 19 . 1 1 88 88 PRO CB C 79 31.136 31.136 31.366 -0.230 18220 9771 1 19 . 1 1 89 89 ALA N N 80 124.431 124.431 122.410 2.021 18220 9772 1 19 . 1 1 89 89 ALA HA H 80 4.400 4.400 4.068 0.332 18220 9773 1 19 . 1 1 89 89 ALA C C 80 176.234 176.234 179.917 -3.683 18220 9774 1 19 . 1 1 89 89 ALA CA C 80 53.300 53.300 54.858 -1.558 18220 9775 1 19 . 1 1 89 89 ALA CB C 80 18.498 18.498 17.927 0.571 18220 9776 1 19 . 1 1 89 89 ALA H H 80 8.320 8.320 8.344 -0.024 18220 9777 1 19 . 1 1 90 90 GLY N N 81 106.834 106.834 107.482 -0.648 18220 9778 1 19 . 1 1 90 90 GLY C C 81 172.398 172.398 176.543 -4.145 18220 9779 1 19 . 1 1 90 90 GLY CA C 81 45.600 45.600 47.163 -1.563 18220 9780 1 19 . 1 1 90 90 GLY H H 81 8.458 8.458 8.548 -0.090 18220 9781 1 19 . 1 1 91 91 LEU N N 82 121.043 121.043 122.078 -1.035 18220 9782 1 19 . 1 1 91 91 LEU HA H 82 4.200 4.200 3.941 0.259 18220 9783 1 19 . 1 1 91 91 LEU C C 82 174.783 174.783 178.975 -4.192 18220 9784 1 19 . 1 1 91 91 LEU CA C 82 56.300 56.300 58.127 -1.827 18220 9785 1 19 . 1 1 91 91 LEU CB C 82 42.106 42.106 41.669 0.437 18220 9786 1 19 . 1 1 91 91 LEU H H 82 7.687 7.687 7.840 -0.153 18220 9787 1 19 . 1 1 92 92 VAL N N 83 114.737 114.737 118.798 -4.061 18220 9788 1 19 . 1 1 92 92 VAL HA H 83 3.980 3.980 3.575 0.405 18220 9789 1 19 . 1 1 92 92 VAL C C 83 173.634 173.634 177.836 -4.202 18220 9790 1 19 . 1 1 92 92 VAL CA C 83 62.400 62.400 66.357 -3.957 18220 9791 1 19 . 1 1 92 92 VAL CB C 83 31.585 31.585 30.957 0.628 18220 9792 1 19 . 1 1 92 92 VAL H H 83 7.602 7.602 7.555 0.047 18220 9793 1 19 . 1 1 93 93 ALA N N 84 124.320 124.320 121.549 2.771 18220 9794 1 19 . 1 1 93 93 ALA HA H 84 4.150 4.150 4.157 -0.007 18220 9795 1 19 . 1 1 93 93 ALA C C 84 175.746 175.746 179.899 -4.153 18220 9796 1 19 . 1 1 93 93 ALA CA C 84 53.300 53.300 55.169 -1.869 18220 9797 1 19 . 1 1 93 93 ALA CB C 84 18.241 18.241 17.946 0.295 18220 9798 1 19 . 1 1 93 93 ALA H H 84 7.891 7.891 8.408 -0.517 18220 9799 1 19 . 1 1 94 94 GLY N N 85 106.807 106.807 108.549 -1.742 18220 9800 1 19 . 1 1 94 94 GLY C C 85 171.752 171.752 175.608 -3.856 18220 9801 1 19 . 1 1 94 94 GLY CA C 85 45.249 45.249 46.809 -1.560 18220 9802 1 19 . 1 1 94 94 GLY H H 85 8.204 8.204 8.085 0.119 18220 9803 1 19 . 1 1 95 95 LEU N N 86 121.266 121.266 122.125 -0.859 18220 9804 1 19 . 1 1 95 95 LEU HA H 86 4.380 4.380 4.021 0.359 18220 9805 1 19 . 1 1 95 95 LEU C C 86 173.702 173.702 178.755 -5.053 18220 9806 1 19 . 1 1 95 95 LEU CA C 86 55.000 55.000 57.878 -2.878 18220 9807 1 19 . 1 1 95 95 LEU CB C 86 42.298 42.298 41.728 0.570 18220 9808 1 19 . 1 1 95 95 LEU H H 86 7.718 7.718 8.167 -0.449 18220 9809 1 19 . 1 1 96 96 SER N N 87 115.658 115.658 114.782 0.876 18220 9810 1 19 . 1 1 96 96 SER HA H 87 4.370 4.370 4.158 0.212 18220 9811 1 19 . 1 1 96 96 SER C C 87 172.479 172.479 176.839 -4.360 18220 9812 1 19 . 1 1 96 96 SER CA C 87 57.200 57.200 61.717 -4.517 18220 9813 1 19 . 1 1 96 96 SER CB C 87 64.174 64.174 62.671 1.503 18220 9814 1 19 . 1 1 96 96 SER H H 87 7.659 7.659 8.027 -0.368 18220 9815 1 19 . 1 1 97 97 LEU N N 88 123.720 123.720 122.685 1.035 18220 9816 1 19 . 1 1 97 97 LEU HA H 88 4.600 4.600 3.904 0.696 18220 9817 1 19 . 1 1 97 97 LEU C C 88 175.932 175.932 178.980 -3.048 18220 9818 1 19 . 1 1 97 97 LEU CA C 88 57.600 57.600 58.399 -0.799 18220 9819 1 19 . 1 1 97 97 LEU CB C 88 41.400 41.400 41.880 -0.480 18220 9820 1 19 . 1 1 97 97 LEU H H 88 8.733 8.733 8.225 0.508 18220 9821 1 19 . 1 1 98 98 MET N N 89 116.684 116.684 116.932 -0.248 18220 9822 1 19 . 1 1 98 98 MET HA H 89 4.280 4.280 3.917 0.363 18220 9823 1 19 . 1 1 98 98 MET C C 89 175.789 175.789 178.608 -2.819 18220 9824 1 19 . 1 1 98 98 MET CA C 89 56.915 56.915 58.449 -1.534 18220 9825 1 19 . 1 1 98 98 MET CB C 89 31.007 31.007 31.808 -0.801 18220 9826 1 19 . 1 1 98 98 MET H H 89 8.342 8.342 8.208 0.134 18220 9827 1 19 . 1 1 99 99 MET N N 90 119.182 119.182 119.772 -0.590 18220 9828 1 19 . 1 1 99 99 MET HA H 90 4.110 4.110 4.012 0.098 18220 9829 1 19 . 1 1 99 99 MET C C 90 175.588 175.588 178.657 -3.069 18220 9830 1 19 . 1 1 99 99 MET CA C 90 57.951 57.951 59.409 -1.458 18220 9831 1 19 . 1 1 99 99 MET CB C 90 32.226 32.226 32.501 -0.275 18220 9832 1 19 . 1 1 99 99 MET H H 90 7.720 7.720 7.988 -0.268 18220 9833 1 19 . 1 1 100 100 ILE N N 91 119.077 119.077 119.565 -0.488 18220 9834 1 19 . 1 1 100 100 ILE HA H 91 4.110 4.110 3.596 0.514 18220 9835 1 19 . 1 1 100 100 ILE C C 91 174.634 174.634 178.107 -3.473 18220 9836 1 19 . 1 1 100 100 ILE CA C 91 64.100 64.100 65.185 -1.085 18220 9837 1 19 . 1 1 100 100 ILE CB C 91 37.143 37.143 37.627 -0.484 18220 9838 1 19 . 1 1 100 100 ILE H H 91 7.662 7.662 8.181 -0.519 18220 9839 1 19 . 1 1 101 101 LEU N N 92 119.646 119.646 118.338 1.308 18220 9840 1 19 . 1 1 101 101 LEU HA H 92 4.530 4.530 3.991 0.539 18220 9841 1 19 . 1 1 101 101 LEU C C 92 175.430 175.430 178.943 -3.513 18220 9842 1 19 . 1 1 101 101 LEU CA C 92 57.800 57.800 58.440 -0.640 18220 9843 1 19 . 1 1 101 101 LEU CB C 92 40.758 40.758 41.466 -0.708 18220 9844 1 19 . 1 1 101 101 LEU H H 92 8.142 8.142 8.263 -0.121 18220 9845 1 19 . 1 1 102 102 ARG N N 93 116.394 116.394 118.497 -2.103 18220 9846 1 19 . 1 1 102 102 ARG HA H 93 4.140 4.140 4.159 -0.019 18220 9847 1 19 . 1 1 102 102 ARG C C 93 175.961 175.961 178.663 -2.702 18220 9848 1 19 . 1 1 102 102 ARG CA C 93 59.100 59.100 58.111 0.988 18220 9849 1 19 . 1 1 102 102 ARG CB C 93 29.404 29.404 29.893 -0.489 18220 9850 1 19 . 1 1 102 102 ARG H H 93 7.893 7.893 7.843 0.050 18220 9851 1 19 . 1 1 103 103 LEU N N 94 119.114 119.114 120.006 -0.892 18220 9852 1 19 . 1 1 103 103 LEU HA H 94 4.110 4.110 4.088 0.022 18220 9853 1 19 . 1 1 103 103 LEU C C 94 175.889 175.889 179.020 -3.131 18220 9854 1 19 . 1 1 103 103 LEU CA C 94 57.300 57.300 58.076 -0.776 18220 9855 1 19 . 1 1 103 103 LEU CB C 94 41.296 41.296 41.805 -0.509 18220 9856 1 19 . 1 1 103 103 LEU H H 94 7.622 7.622 8.214 -0.592 18220 9857 1 19 . 1 1 104 104 VAL N N 95 117.704 117.704 115.773 1.931 18220 9858 1 19 . 1 1 104 104 VAL HA H 95 3.530 3.530 3.904 -0.374 18220 9859 1 19 . 1 1 104 104 VAL C C 95 175.042 175.042 177.212 -2.170 18220 9860 1 19 . 1 1 104 104 VAL CA C 95 66.419 66.419 65.388 1.031 18220 9861 1 19 . 1 1 104 104 VAL CB C 95 31.357 31.357 31.313 0.044 18220 9862 1 19 . 1 1 104 104 VAL H H 95 8.026 8.026 7.612 0.414 18220 9863 1 19 . 1 1 105 105 LEU N N 96 117.185 117.185 121.098 -3.913 18220 9864 1 19 . 1 1 105 105 LEU HA H 96 3.980 3.980 4.012 -0.032 18220 9865 1 19 . 1 1 105 105 LEU C C 96 176.579 176.579 178.678 -2.099 18220 9866 1 19 . 1 1 105 105 LEU CA C 96 56.800 56.800 57.736 -0.936 18220 9867 1 19 . 1 1 105 105 LEU CB C 96 40.951 40.951 41.050 -0.099 18220 9868 1 19 . 1 1 105 105 LEU H H 96 7.893 7.893 7.384 0.509 18220 9869 1 19 . 1 1 106 106 LEU N N 97 118.471 118.471 120.142 -1.671 18220 9870 1 19 . 1 1 106 106 LEU HA H 97 4.180 4.180 3.894 0.286 18220 9871 1 19 . 1 1 106 106 LEU C C 97 175.802 175.802 178.911 -3.109 18220 9872 1 19 . 1 1 106 106 LEU CA C 97 56.300 56.300 57.328 -1.028 18220 9873 1 19 . 1 1 106 106 LEU CB C 97 41.592 41.592 41.601 -0.009 18220 9874 1 19 . 1 1 106 106 LEU H H 97 7.545 7.545 7.683 -0.138 18220 9875 1 19 . 1 1 107 107 LEU N N 98 118.162 118.162 119.303 -1.141 18220 9876 1 19 . 1 1 107 107 LEU HA H 98 4.230 4.230 4.083 0.147 18220 9877 1 19 . 1 1 107 107 LEU C C 98 174.174 174.174 177.862 -3.688 18220 9878 1 19 . 1 1 107 107 LEU CA C 98 56.283 56.283 57.144 -0.861 18220 9879 1 19 . 1 1 107 107 LEU CB C 98 42.362 42.362 42.140 0.222 18220 9880 1 19 . 1 1 107 107 LEU H H 98 7.688 7.688 7.439 0.249 18220 9881 1 20 . 1 1 11 11 ASP N N 2 120.536 120.536 123.114 -2.578 18220 9882 1 20 . 1 1 11 11 ASP CA C 2 55.918 55.918 53.876 2.042 18220 9883 1 20 . 1 1 11 11 ASP CB C 2 37.959 37.959 40.548 -2.589 18220 9884 1 20 . 1 1 11 11 ASP H H 2 7.863 7.863 8.381 -0.518 18220 9885 1 20 . 1 1 12 12 LEU N N 3 121.414 121.414 122.948 -1.534 18220 9886 1 20 . 1 1 12 12 LEU C C 3 176.162 176.162 175.525 0.637 18220 9887 1 20 . 1 1 12 12 LEU CA C 3 57.600 57.600 55.162 2.438 18220 9888 1 20 . 1 1 12 12 LEU CB C 3 41.657 41.657 42.673 -1.016 18220 9889 1 20 . 1 1 12 12 LEU H H 3 8.285 8.285 8.101 0.184 18220 9890 1 20 . 1 1 13 13 ILE N N 4 118.854 118.854 121.212 -2.358 18220 9891 1 20 . 1 1 13 13 ILE HA H 4 3.740 3.740 4.283 -0.543 18220 9892 1 20 . 1 1 13 13 ILE C C 4 175.228 175.228 174.989 0.239 18220 9893 1 20 . 1 1 13 13 ILE CA C 4 64.500 64.500 61.940 2.560 18220 9894 1 20 . 1 1 13 13 ILE CB C 4 37.102 37.102 39.295 -2.193 18220 9895 1 20 . 1 1 13 13 ILE H H 4 8.031 8.031 8.260 -0.229 18220 9896 1 20 . 1 1 14 14 GLY N N 5 107.478 107.478 110.687 -3.209 18220 9897 1 20 . 1 1 14 14 GLY C C 5 174.424 174.424 173.294 1.130 18220 9898 1 20 . 1 1 14 14 GLY CA C 5 47.059 47.059 44.592 2.467 18220 9899 1 20 . 1 1 14 14 GLY H H 5 8.148 8.148 7.995 0.153 18220 9900 1 20 . 1 1 15 15 PHE N N 6 122.774 122.774 124.896 -2.122 18220 9901 1 20 . 1 1 15 15 PHE HA H 6 4.480 4.480 4.535 -0.055 18220 9902 1 20 . 1 1 15 15 PHE C C 6 175.113 175.113 176.611 -1.498 18220 9903 1 20 . 1 1 15 15 PHE CA C 6 60.017 60.017 59.546 0.471 18220 9904 1 20 . 1 1 15 15 PHE CB C 6 38.774 38.774 39.456 -0.682 18220 9905 1 20 . 1 1 15 15 PHE H H 6 8.194 8.194 8.637 -0.443 18220 9906 1 20 . 1 1 16 16 GLY N N 7 107.938 107.938 108.139 -0.201 18220 9907 1 20 . 1 1 16 16 GLY C C 7 171.838 171.838 175.981 -4.143 18220 9908 1 20 . 1 1 16 16 GLY CA C 7 47.100 47.100 47.626 -0.526 18220 9909 1 20 . 1 1 16 16 GLY H H 7 8.697 8.697 8.693 0.004 18220 9910 1 20 . 1 1 17 17 TYR N N 8 121.785 121.785 123.144 -1.359 18220 9911 1 20 . 1 1 17 17 TYR HA H 8 4.150 4.150 4.117 0.033 18220 9912 1 20 . 1 1 17 17 TYR C C 8 174.180 174.180 177.619 -3.439 18220 9913 1 20 . 1 1 17 17 TYR CA C 8 61.300 61.300 61.209 0.091 18220 9914 1 20 . 1 1 17 17 TYR CB C 8 37.959 37.959 38.300 -0.341 18220 9915 1 20 . 1 1 17 17 TYR H H 8 8.710 8.710 8.374 0.336 18220 9916 1 20 . 1 1 18 18 ALA N N 9 120.233 120.233 120.523 -0.290 18220 9917 1 20 . 1 1 18 18 ALA HA H 9 3.950 3.950 3.927 0.023 18220 9918 1 20 . 1 1 18 18 ALA C C 9 178.059 178.059 178.764 -0.705 18220 9919 1 20 . 1 1 18 18 ALA CA C 9 54.872 54.872 55.063 -0.191 18220 9920 1 20 . 1 1 18 18 ALA CB C 9 17.562 17.562 17.622 -0.060 18220 9921 1 20 . 1 1 18 18 ALA H H 9 7.843 7.843 8.235 -0.392 18220 9922 1 20 . 1 1 19 19 ALA N N 10 121.797 121.797 121.513 0.284 18220 9923 1 20 . 1 1 19 19 ALA HA H 10 3.950 3.950 4.160 -0.210 18220 9924 1 20 . 1 1 19 19 ALA C C 10 176.191 176.191 179.910 -3.719 18220 9925 1 20 . 1 1 19 19 ALA CA C 10 54.600 54.600 54.623 -0.023 18220 9926 1 20 . 1 1 19 19 ALA CB C 10 17.562 17.562 18.234 -0.672 18220 9927 1 20 . 1 1 19 19 ALA H H 10 8.212 8.212 7.699 0.513 18220 9928 1 20 . 1 1 20 20 LEU N N 11 119.442 119.442 120.531 -1.089 18220 9929 1 20 . 1 1 20 20 LEU HA H 11 3.937 3.937 4.073 -0.136 18220 9930 1 20 . 1 1 20 20 LEU C C 11 176.694 176.694 179.295 -2.601 18220 9931 1 20 . 1 1 20 20 LEU CA C 11 57.800 57.800 57.957 -0.157 18220 9932 1 20 . 1 1 20 20 LEU CB C 11 41.222 41.222 41.051 0.171 18220 9933 1 20 . 1 1 20 20 LEU H H 11 8.065 8.065 8.004 0.061 18220 9934 1 20 . 1 1 21 21 VAL N N 12 118.323 118.323 119.352 -1.029 18220 9935 1 20 . 1 1 21 21 VAL HA H 12 3.640 3.640 3.656 -0.016 18220 9936 1 20 . 1 1 21 21 VAL C C 12 176.536 176.536 178.296 -1.760 18220 9937 1 20 . 1 1 21 21 VAL CA C 12 65.400 65.400 66.349 -0.949 18220 9938 1 20 . 1 1 21 21 VAL CB C 12 31.135 31.135 30.534 0.601 18220 9939 1 20 . 1 1 21 21 VAL H H 12 8.051 8.051 8.381 -0.330 18220 9940 1 20 . 1 1 22 22 THR N N 13 118.298 118.298 116.939 1.359 18220 9941 1 20 . 1 1 22 22 THR HA H 13 4.660 4.660 3.873 0.787 18220 9942 1 20 . 1 1 22 22 THR C C 13 173.734 173.734 176.624 -2.890 18220 9943 1 20 . 1 1 22 22 THR CA C 13 66.300 66.300 67.303 -1.003 18220 9944 1 20 . 1 1 22 22 THR CB C 13 67.775 67.775 68.727 -0.952 18220 9945 1 20 . 1 1 22 22 THR H H 13 7.944 7.944 8.309 -0.365 18220 9946 1 20 . 1 1 23 23 PHE N N 14 121.328 121.328 121.520 -0.192 18220 9947 1 20 . 1 1 23 23 PHE HA H 14 4.340 4.340 4.107 0.233 18220 9948 1 20 . 1 1 23 23 PHE C C 14 174.783 174.783 177.469 -2.686 18220 9949 1 20 . 1 1 23 23 PHE CA C 14 60.500 60.500 61.557 -1.057 18220 9950 1 20 . 1 1 23 23 PHE CB C 14 38.626 38.626 38.778 -0.152 18220 9951 1 20 . 1 1 23 23 PHE H H 14 8.567 8.567 8.231 0.336 18220 9952 1 20 . 1 1 24 24 GLY N N 15 106.871 106.871 106.855 0.016 18220 9953 1 20 . 1 1 24 24 GLY C C 15 172.858 172.858 176.394 -3.536 18220 9954 1 20 . 1 1 24 24 GLY CA C 15 46.900 46.900 47.580 -0.680 18220 9955 1 20 . 1 1 24 24 GLY H H 15 8.475 8.475 8.468 0.007 18220 9956 1 20 . 1 1 25 25 SER N N 16 116.214 116.214 118.562 -2.348 18220 9957 1 20 . 1 1 25 25 SER HA H 16 4.280 4.280 4.038 0.242 18220 9958 1 20 . 1 1 25 25 SER CA C 16 60.300 60.300 61.678 -1.378 18220 9959 1 20 . 1 1 25 25 SER CB C 16 62.879 62.879 63.146 -0.267 18220 9960 1 20 . 1 1 25 25 SER H H 16 7.963 7.963 8.158 -0.195 18220 9961 1 20 . 1 1 26 26 ILE N N 17 121.024 121.024 121.833 -0.809 18220 9962 1 20 . 1 1 26 26 ILE HA H 17 3.946 3.946 3.676 0.270 18220 9963 1 20 . 1 1 26 26 ILE C C 17 173.935 173.935 178.350 -4.415 18220 9964 1 20 . 1 1 26 26 ILE CA C 17 63.100 63.100 65.141 -2.041 18220 9965 1 20 . 1 1 26 26 ILE CB C 17 38.107 38.107 37.926 0.181 18220 9966 1 20 . 1 1 26 26 ILE H H 17 7.676 7.676 8.259 -0.583 18220 9967 1 20 . 1 1 27 27 PHE N N 18 117.142 117.142 119.348 -2.206 18220 9968 1 20 . 1 1 27 27 PHE HA H 18 4.430 4.430 4.098 0.332 18220 9969 1 20 . 1 1 27 27 PHE C C 18 173.504 173.504 177.270 -3.766 18220 9970 1 20 . 1 1 27 27 PHE CA C 18 58.500 58.500 60.684 -2.184 18220 9971 1 20 . 1 1 27 27 PHE CB C 18 38.774 38.774 38.899 -0.125 18220 9972 1 20 . 1 1 27 27 PHE H H 18 7.703 7.703 8.592 -0.889 18220 9973 1 20 . 1 1 28 28 GLY N N 19 107.303 107.303 105.759 1.544 18220 9974 1 20 . 1 1 28 28 GLY C C 19 171.593 171.593 174.343 -2.750 18220 9975 1 20 . 1 1 28 28 GLY CA C 19 45.600 45.600 46.510 -0.910 18220 9976 1 20 . 1 1 28 28 GLY H H 19 7.722 7.722 7.849 -0.127 18220 9977 1 20 . 1 1 29 29 TYR N N 20 119.862 119.862 116.582 3.280 18220 9978 1 20 . 1 1 29 29 TYR HA H 20 4.392 4.392 4.382 0.010 18220 9979 1 20 . 1 1 29 29 TYR C C 20 173.174 173.174 174.525 -1.351 18220 9980 1 20 . 1 1 29 29 TYR CA C 20 58.500 58.500 59.088 -0.588 18220 9981 1 20 . 1 1 29 29 TYR CB C 20 38.404 38.404 39.882 -1.478 18220 9982 1 20 . 1 1 29 29 TYR H H 20 7.880 7.880 8.005 -0.125 18220 9983 1 20 . 1 1 30 30 LYS N N 21 122.335 122.335 122.178 0.157 18220 9984 1 20 . 1 1 30 30 LYS HA H 21 4.390 4.390 4.080 0.310 18220 9985 1 20 . 1 1 30 30 LYS C C 21 173.547 173.547 175.246 -1.699 18220 9986 1 20 . 1 1 30 30 LYS CA C 21 55.800 55.800 58.627 -2.827 18220 9987 1 20 . 1 1 30 30 LYS CB C 21 32.396 32.396 32.990 -0.594 18220 9988 1 20 . 1 1 30 30 LYS H H 21 7.934 7.934 8.118 -0.184 18220 9989 1 20 . 1 1 31 31 ARG N N 22 120.612 120.612 118.212 2.400 18220 9990 1 20 . 1 1 31 31 ARG C C 22 173.547 173.547 174.732 -1.185 18220 9991 1 20 . 1 1 31 31 ARG CA C 22 55.834 55.834 55.417 0.417 18220 9992 1 20 . 1 1 31 31 ARG CB C 22 30.101 30.101 29.269 0.832 18220 9993 1 20 . 1 1 31 31 ARG H H 22 7.905 7.905 8.347 -0.442 18220 9994 1 20 . 1 1 32 32 ARG N N 23 121.748 121.748 121.550 0.198 18220 9995 1 20 . 1 1 32 32 ARG HA H 23 4.310 4.310 4.066 0.244 18220 9996 1 20 . 1 1 32 32 ARG C C 23 173.863 173.863 176.533 -2.670 18220 9997 1 20 . 1 1 32 32 ARG CA C 23 55.800 55.800 57.934 -2.134 18220 9998 1 20 . 1 1 32 32 ARG CB C 23 30.245 30.245 30.511 -0.266 18220 9999 1 20 . 1 1 32 32 ARG H H 23 8.175 8.175 8.431 -0.256 18220 10000 1 20 . 1 1 33 33 GLY N N 24 109.528 109.528 111.037 -1.509 18220 10001 1 20 . 1 1 33 33 GLY C C 24 171.752 171.752 173.425 -1.673 18220 10002 1 20 . 1 1 33 33 GLY CA C 24 44.900 44.900 44.805 0.095 18220 10003 1 20 . 1 1 33 33 GLY H H 24 8.264 8.264 8.697 -0.433 18220 10004 1 20 . 1 1 34 34 GLY N N 25 108.563 108.563 107.841 0.722 18220 10005 1 20 . 1 1 34 34 GLY C C 25 171.701 171.701 173.419 -1.718 18220 10006 1 20 . 1 1 34 34 GLY CA C 25 44.600 44.600 44.768 -0.168 18220 10007 1 20 . 1 1 34 34 GLY H H 25 8.208 8.208 7.803 0.405 18220 10008 1 20 . 1 1 35 35 VAL N N 26 121.164 121.164 119.701 1.463 18220 10009 1 20 . 1 1 35 35 VAL HA H 26 4.010 4.010 4.111 -0.101 18220 10010 1 20 . 1 1 35 35 VAL C C 26 175.888 175.888 174.768 1.120 18220 10011 1 20 . 1 1 35 35 VAL CA C 26 63.900 63.900 63.640 0.260 18220 10012 1 20 . 1 1 35 35 VAL CB C 26 30.690 30.690 31.927 -1.237 18220 10013 1 20 . 1 1 35 35 VAL H H 26 8.485 8.485 8.266 0.219 18220 10014 1 20 . 1 1 36 36 PRO C C 27 177.660 177.660 175.979 1.681 18220 10015 1 20 . 1 1 36 36 PRO CA C 27 61.847 61.847 63.233 -1.386 18220 10016 1 20 . 1 1 37 37 SER N N 28 116.023 116.023 118.608 -2.585 18220 10017 1 20 . 1 1 37 37 SER HA H 28 4.280 4.280 4.525 -0.245 18220 10018 1 20 . 1 1 37 37 SER CA C 28 61.100 61.100 57.923 3.177 18220 10019 1 20 . 1 1 37 37 SER H H 28 7.948 7.948 7.935 0.013 18220 10020 1 20 . 1 1 38 38 LEU N N 29 124.029 124.029 122.064 1.965 18220 10021 1 20 . 1 1 38 38 LEU HA H 29 4.170 4.170 3.968 0.202 18220 10022 1 20 . 1 1 38 38 LEU C C 29 176.132 176.132 178.486 -2.354 18220 10023 1 20 . 1 1 38 38 LEU CA C 29 57.500 57.500 58.534 -1.034 18220 10024 1 20 . 1 1 38 38 LEU CB C 29 42.038 42.038 41.597 0.441 18220 10025 1 20 . 1 1 38 38 LEU H H 29 8.201 8.201 8.612 -0.411 18220 10026 1 20 . 1 1 39 39 ILE N N 30 117.098 117.098 119.901 -2.803 18220 10027 1 20 . 1 1 39 39 ILE HA H 30 4.370 4.370 3.675 0.695 18220 10028 1 20 . 1 1 39 39 ILE C C 30 176.478 176.478 178.227 -1.749 18220 10029 1 20 . 1 1 39 39 ILE CA C 30 63.079 63.079 63.775 -0.696 18220 10030 1 20 . 1 1 39 39 ILE CB C 30 36.973 36.973 36.049 0.924 18220 10031 1 20 . 1 1 39 39 ILE H H 30 7.662 7.662 7.663 -0.001 18220 10032 1 20 . 1 1 40 40 ALA N N 31 122.447 122.447 121.738 0.709 18220 10033 1 20 . 1 1 40 40 ALA HA H 31 4.034 4.034 4.098 -0.064 18220 10034 1 20 . 1 1 40 40 ALA C C 31 177.067 177.067 179.907 -2.840 18220 10035 1 20 . 1 1 40 40 ALA CA C 31 55.962 55.962 55.114 0.848 18220 10036 1 20 . 1 1 40 40 ALA CB C 31 17.856 17.856 17.943 -0.087 18220 10037 1 20 . 1 1 40 40 ALA H H 31 8.096 8.096 8.071 0.025 18220 10038 1 20 . 1 1 41 41 GLY N N 32 104.056 104.056 106.975 -2.919 18220 10039 1 20 . 1 1 41 41 GLY C C 32 174.251 174.251 176.258 -2.007 18220 10040 1 20 . 1 1 41 41 GLY CA C 32 46.500 46.500 46.816 -0.316 18220 10041 1 20 . 1 1 41 41 GLY H H 32 8.123 8.123 8.089 0.034 18220 10042 1 20 . 1 1 42 42 LEU N N 33 123.250 123.250 122.801 0.449 18220 10043 1 20 . 1 1 42 42 LEU HA H 33 3.857 3.857 4.234 -0.377 18220 10044 1 20 . 1 1 42 42 LEU C C 33 176.033 176.033 178.410 -2.377 18220 10045 1 20 . 1 1 42 42 LEU CA C 33 56.668 56.668 57.720 -1.052 18220 10046 1 20 . 1 1 42 42 LEU CB C 33 41.721 41.721 42.203 -0.482 18220 10047 1 20 . 1 1 42 42 LEU H H 33 7.914 7.914 8.094 -0.180 18220 10048 1 20 . 1 1 43 43 PHE N N 34 119.757 119.757 120.200 -0.443 18220 10049 1 20 . 1 1 43 43 PHE HA H 34 4.200 4.200 4.072 0.128 18220 10050 1 20 . 1 1 43 43 PHE C C 34 174.374 174.374 177.685 -3.311 18220 10051 1 20 . 1 1 43 43 PHE CA C 34 59.876 59.876 62.670 -2.795 18220 10052 1 20 . 1 1 43 43 PHE CB C 34 38.834 38.834 39.032 -0.198 18220 10053 1 20 . 1 1 43 43 PHE H H 34 8.287 8.287 8.287 0.000 18220 10054 1 20 . 1 1 44 44 VAL N N 35 117.791 117.791 118.378 -0.587 18220 10055 1 20 . 1 1 44 44 VAL HA H 35 3.610 3.610 3.682 -0.072 18220 10056 1 20 . 1 1 44 44 VAL C C 35 176.205 176.205 177.895 -1.690 18220 10057 1 20 . 1 1 44 44 VAL CA C 35 64.559 64.559 67.635 -3.076 18220 10058 1 20 . 1 1 44 44 VAL CB C 35 31.432 31.432 31.781 -0.349 18220 10059 1 20 . 1 1 44 44 VAL H H 35 8.235 8.235 8.494 -0.259 18220 10060 1 20 . 1 1 45 45 GLY N N 36 108.551 108.551 107.221 1.330 18220 10061 1 20 . 1 1 45 45 GLY C C 36 173.749 173.749 175.738 -1.989 18220 10062 1 20 . 1 1 45 45 GLY CA C 36 46.083 46.083 47.457 -1.374 18220 10063 1 20 . 1 1 45 45 GLY H H 36 8.178 8.178 8.117 0.061 18220 10064 1 20 . 1 1 46 46 CYS N N 37 121.173 121.173 120.087 1.086 18220 10065 1 20 . 1 1 46 46 CYS HA H 37 4.180 4.180 4.026 0.154 18220 10066 1 20 . 1 1 46 46 CYS C C 37 173.710 173.710 176.719 -3.009 18220 10067 1 20 . 1 1 46 46 CYS CA C 37 63.000 63.000 62.767 0.233 18220 10068 1 20 . 1 1 46 46 CYS CB C 37 60.283 60.283 27.514 32.769 18220 10069 1 20 . 1 1 46 46 CYS H H 37 8.253 8.253 8.418 -0.165 18220 10070 1 20 . 1 1 47 47 LEU N N 38 120.283 120.283 121.665 -1.382 18220 10071 1 20 . 1 1 47 47 LEU HA H 38 4.060 4.060 3.798 0.262 18220 10072 1 20 . 1 1 47 47 LEU C C 38 176.679 176.679 178.433 -1.754 18220 10073 1 20 . 1 1 47 47 LEU CA C 38 56.027 56.027 58.230 -2.203 18220 10074 1 20 . 1 1 47 47 LEU CB C 38 41.464 41.464 41.959 -0.495 18220 10075 1 20 . 1 1 47 47 LEU H H 38 7.965 7.965 7.921 0.044 18220 10076 1 20 . 1 1 48 48 ALA N N 39 122.249 122.249 120.131 2.118 18220 10077 1 20 . 1 1 48 48 ALA HA H 39 4.142 4.142 3.987 0.155 18220 10078 1 20 . 1 1 48 48 ALA C C 39 177.915 177.915 179.535 -1.620 18220 10079 1 20 . 1 1 48 48 ALA CA C 39 53.717 53.717 55.350 -1.633 18220 10080 1 20 . 1 1 48 48 ALA CB C 39 17.985 17.985 17.905 0.080 18220 10081 1 20 . 1 1 48 48 ALA H H 39 8.066 8.066 8.315 -0.249 18220 10082 1 20 . 1 1 49 49 GLY N N 40 107.377 107.377 107.832 -0.455 18220 10083 1 20 . 1 1 49 49 GLY C C 40 172.527 172.527 175.869 -3.342 18220 10084 1 20 . 1 1 49 49 GLY CA C 40 45.450 45.450 47.243 -1.793 18220 10085 1 20 . 1 1 49 49 GLY H H 40 8.172 8.172 8.130 0.042 18220 10086 1 20 . 1 1 50 50 TYR N N 41 122.409 122.409 124.614 -2.205 18220 10087 1 20 . 1 1 50 50 TYR HA H 41 3.799 3.799 4.233 -0.434 18220 10088 1 20 . 1 1 50 50 TYR C C 41 174.208 174.208 178.405 -4.197 18220 10089 1 20 . 1 1 50 50 TYR CA C 41 59.245 59.245 61.260 -2.015 18220 10090 1 20 . 1 1 50 50 TYR CB C 41 37.936 37.936 38.212 -0.275 18220 10091 1 20 . 1 1 50 50 TYR H H 41 7.800 7.800 8.632 -0.832 18220 10092 1 20 . 1 1 51 51 GLY N N 42 106.935 106.935 105.796 1.139 18220 10093 1 20 . 1 1 51 51 GLY C C 42 172.642 172.642 175.534 -2.892 18220 10094 1 20 . 1 1 51 51 GLY CA C 42 46.265 46.265 46.851 -0.586 18220 10095 1 20 . 1 1 51 51 GLY H H 42 8.199 8.199 8.377 -0.178 18220 10096 1 20 . 1 1 52 52 ALA N N 43 123.018 123.018 124.112 -1.094 18220 10097 1 20 . 1 1 52 52 ALA HA H 43 4.150 4.150 3.997 0.153 18220 10098 1 20 . 1 1 52 52 ALA C C 43 176.398 176.398 179.201 -2.803 18220 10099 1 20 . 1 1 52 52 ALA CA C 43 52.883 52.883 54.639 -1.756 18220 10100 1 20 . 1 1 52 52 ALA CB C 43 18.241 18.241 18.499 -0.258 18220 10101 1 20 . 1 1 52 52 ALA H H 43 7.758 7.758 8.346 -0.588 18220 10102 1 20 . 1 1 53 53 TYR N N 44 119.664 119.664 119.520 0.144 18220 10103 1 20 . 1 1 53 53 TYR HA H 44 4.318 4.318 4.544 -0.226 18220 10104 1 20 . 1 1 53 53 TYR C C 44 174.180 174.180 177.327 -3.147 18220 10105 1 20 . 1 1 53 53 TYR CA C 44 58.593 58.593 59.382 -0.789 18220 10106 1 20 . 1 1 53 53 TYR CB C 44 38.192 38.192 38.245 -0.053 18220 10107 1 20 . 1 1 53 53 TYR H H 44 7.920 7.920 8.042 -0.122 18220 10108 1 20 . 1 1 54 54 ARG N N 45 119.516 119.516 119.735 -0.219 18220 10109 1 20 . 1 1 54 54 ARG HA H 45 3.930 3.930 3.391 0.539 18220 10110 1 20 . 1 1 54 54 ARG C C 45 174.423 174.423 176.075 -1.652 18220 10111 1 20 . 1 1 54 54 ARG CA C 45 56.027 56.027 58.474 -2.447 18220 10112 1 20 . 1 1 54 54 ARG CB C 45 30.173 30.173 30.750 -0.577 18220 10113 1 20 . 1 1 54 54 ARG H H 45 7.956 7.956 7.834 0.122 18220 10114 1 20 . 1 1 55 55 VAL N N 46 116.437 116.437 114.543 1.894 18220 10115 1 20 . 1 1 55 55 VAL HA H 46 4.060 4.060 3.982 0.078 18220 10116 1 20 . 1 1 55 55 VAL C C 46 173.806 173.806 173.501 0.305 18220 10117 1 20 . 1 1 55 55 VAL CA C 46 62.300 62.300 62.822 -0.522 18220 10118 1 20 . 1 1 55 55 VAL CB C 46 31.521 31.521 31.005 0.516 18220 10119 1 20 . 1 1 55 55 VAL H H 46 7.489 7.489 7.493 -0.004 18220 10120 1 20 . 1 1 56 56 SER N N 47 117.185 117.185 122.221 -5.036 18220 10121 1 20 . 1 1 56 56 SER HA H 47 4.401 4.401 4.587 -0.186 18220 10122 1 20 . 1 1 56 56 SER C C 47 172.074 172.074 173.441 -1.367 18220 10123 1 20 . 1 1 56 56 SER CA C 47 58.133 58.133 58.743 -0.610 18220 10124 1 20 . 1 1 56 56 SER CB C 47 63.468 63.468 65.196 -1.728 18220 10125 1 20 . 1 1 56 56 SER H H 47 7.728 7.728 8.434 -0.706 18220 10126 1 20 . 1 1 57 57 ASN N N 48 121.049 121.049 119.945 1.104 18220 10127 1 20 . 1 1 57 57 ASN HA H 48 4.590 4.590 4.997 -0.407 18220 10128 1 20 . 1 1 57 57 ASN CA C 48 53.600 53.600 53.541 0.058 18220 10129 1 20 . 1 1 57 57 ASN CB C 48 38.641 38.641 40.539 -1.899 18220 10130 1 20 . 1 1 57 57 ASN H H 48 8.228 8.228 7.995 0.233 18220 10131 1 20 . 1 1 58 58 ASP N N 49 120.276 120.276 118.955 1.321 18220 10132 1 20 . 1 1 58 58 ASP HA H 49 4.530 4.530 4.563 -0.033 18220 10133 1 20 . 1 1 58 58 ASP CA C 49 54.202 54.202 54.521 -0.319 18220 10134 1 20 . 1 1 58 58 ASP CB C 49 40.374 40.374 41.235 -0.861 18220 10135 1 20 . 1 1 58 58 ASP H H 49 8.192 8.192 8.323 -0.131 18220 10136 1 20 . 1 1 59 59 LYS N N 50 120.660 120.660 120.061 0.599 18220 10137 1 20 . 1 1 59 59 LYS HA H 50 4.200 4.200 3.888 0.312 18220 10138 1 20 . 1 1 59 59 LYS C C 50 173.474 173.474 175.791 -2.317 18220 10139 1 20 . 1 1 59 59 LYS CA C 50 56.300 56.300 58.776 -2.476 18220 10140 1 20 . 1 1 59 59 LYS CB C 50 32.034 32.034 31.968 0.066 18220 10141 1 20 . 1 1 59 59 LYS H H 50 8.003 8.003 8.564 -0.561 18220 10142 1 20 . 1 1 60 60 ARG N N 51 121.278 121.278 120.418 0.860 18220 10143 1 20 . 1 1 60 60 ARG HA H 51 4.200 4.200 4.488 -0.288 18220 10144 1 20 . 1 1 60 60 ARG C C 51 173.303 173.303 173.746 -0.443 18220 10145 1 20 . 1 1 60 60 ARG CA C 51 56.283 56.283 55.206 1.077 18220 10146 1 20 . 1 1 60 60 ARG CB C 51 30.238 30.238 33.002 -2.764 18220 10147 1 20 . 1 1 60 60 ARG H H 51 8.091 8.091 8.123 -0.032 18220 10148 1 20 . 1 1 61 61 ASP N N 52 121.185 121.185 127.716 -6.531 18220 10149 1 20 . 1 1 61 61 ASP HA H 52 4.615 4.615 4.546 0.069 18220 10150 1 20 . 1 1 61 61 ASP C C 52 173.777 173.777 175.581 -1.804 18220 10151 1 20 . 1 1 61 61 ASP CA C 52 53.979 53.979 55.905 -1.926 18220 10152 1 20 . 1 1 61 61 ASP CB C 52 40.245 40.245 40.065 0.180 18220 10153 1 20 . 1 1 61 61 ASP H H 52 8.261 8.261 8.603 -0.342 18220 10154 1 20 . 1 1 62 62 VAL N N 53 121.902 121.902 120.401 1.501 18220 10155 1 20 . 1 1 62 62 VAL HA H 53 3.950 3.950 4.135 -0.185 18220 10156 1 20 . 1 1 62 62 VAL C C 53 173.279 173.279 175.767 -2.488 18220 10157 1 20 . 1 1 62 62 VAL CA C 53 63.176 63.176 63.952 -0.776 18220 10158 1 20 . 1 1 62 62 VAL CB C 53 32.099 32.099 33.064 -0.965 18220 10159 1 20 . 1 1 62 62 VAL H H 53 7.997 7.997 7.881 0.116 18220 10160 1 20 . 1 1 63 63 LYS N N 54 123.522 123.522 121.892 1.630 18220 10161 1 20 . 1 1 63 63 LYS HA H 54 4.260 4.260 4.299 -0.039 18220 10162 1 20 . 1 1 63 63 LYS C C 54 174.481 174.481 178.174 -3.693 18220 10163 1 20 . 1 1 63 63 LYS CA C 54 56.347 56.347 59.320 -2.973 18220 10164 1 20 . 1 1 63 63 LYS CB C 54 32.099 32.099 32.250 -0.151 18220 10165 1 20 . 1 1 63 63 LYS H H 54 8.054 8.054 7.448 0.606 18220 10166 1 20 . 1 1 64 64 VAL N N 55 120.647 120.647 121.915 -1.268 18220 10167 1 20 . 1 1 64 64 VAL HA H 55 3.947 3.947 3.466 0.481 18220 10168 1 20 . 1 1 64 64 VAL C C 55 174.955 174.955 178.248 -3.293 18220 10169 1 20 . 1 1 64 64 VAL CA C 55 64.600 64.600 66.865 -2.265 18220 10170 1 20 . 1 1 64 64 VAL CB C 55 31.877 31.877 31.371 0.506 18220 10171 1 20 . 1 1 64 64 VAL H H 55 8.225 8.225 8.183 0.042 18220 10172 1 20 . 1 1 65 65 SER N N 56 117.785 117.785 114.216 3.569 18220 10173 1 20 . 1 1 65 65 SER HA H 56 4.390 4.390 4.225 0.165 18220 10174 1 20 . 1 1 65 65 SER C C 56 172.300 172.300 176.536 -4.236 18220 10175 1 20 . 1 1 65 65 SER CA C 56 60.000 60.000 62.213 -2.213 18220 10176 1 20 . 1 1 65 65 SER CB C 56 62.879 62.879 62.781 0.098 18220 10177 1 20 . 1 1 65 65 SER H H 56 8.260 8.260 8.127 0.133 18220 10178 1 20 . 1 1 66 66 LEU N N 57 123.318 123.318 121.098 2.220 18220 10179 1 20 . 1 1 66 66 LEU HA H 57 4.090 4.090 4.073 0.017 18220 10180 1 20 . 1 1 66 66 LEU C C 57 175.932 175.932 178.693 -2.761 18220 10181 1 20 . 1 1 66 66 LEU CA C 57 57.502 57.502 58.140 -0.638 18220 10182 1 20 . 1 1 66 66 LEU CB C 57 41.721 41.721 42.093 -0.372 18220 10183 1 20 . 1 1 66 66 LEU H H 57 8.091 8.091 7.521 0.570 18220 10184 1 20 . 1 1 67 67 PHE N N 58 118.020 118.020 118.024 -0.004 18220 10185 1 20 . 1 1 67 67 PHE HA H 58 4.330 4.330 4.539 -0.209 18220 10186 1 20 . 1 1 67 67 PHE C C 58 174.912 174.912 178.135 -3.223 18220 10187 1 20 . 1 1 67 67 PHE CA C 58 60.600 60.600 61.384 -0.784 18220 10188 1 20 . 1 1 67 67 PHE CB C 58 38.552 38.552 38.641 -0.089 18220 10189 1 20 . 1 1 67 67 PHE H H 58 8.066 8.066 8.311 -0.245 18220 10190 1 20 . 1 1 68 68 THR N N 59 115.324 115.324 117.806 -2.482 18220 10191 1 20 . 1 1 68 68 THR HA H 59 4.310 4.310 4.087 0.223 18220 10192 1 20 . 1 1 68 68 THR C C 59 173.380 173.380 176.359 -2.979 18220 10193 1 20 . 1 1 68 68 THR CA C 59 66.313 66.313 67.723 -1.410 18220 10194 1 20 . 1 1 68 68 THR CB C 59 67.700 67.700 68.915 -1.216 18220 10195 1 20 . 1 1 68 68 THR H H 59 8.287 8.287 8.278 0.009 18220 10196 1 20 . 1 1 69 69 ALA N N 60 123.621 123.621 124.258 -0.637 18220 10197 1 20 . 1 1 69 69 ALA HA H 60 4.280 4.280 4.071 0.209 18220 10198 1 20 . 1 1 69 69 ALA C C 60 176.978 176.978 178.583 -1.605 18220 10199 1 20 . 1 1 69 69 ALA CA C 60 55.100 55.100 55.300 -0.200 18220 10200 1 20 . 1 1 69 69 ALA CB C 60 17.728 17.728 18.349 -0.621 18220 10201 1 20 . 1 1 69 69 ALA H H 60 7.983 7.983 8.685 -0.702 18220 10202 1 20 . 1 1 70 70 PHE N N 61 118.520 118.520 120.418 -1.898 18220 10203 1 20 . 1 1 70 70 PHE HA H 61 4.260 4.260 4.078 0.182 18220 10204 1 20 . 1 1 70 70 PHE C C 61 175.369 175.369 176.745 -1.376 18220 10205 1 20 . 1 1 70 70 PHE CA C 61 60.179 60.179 61.331 -1.152 18220 10206 1 20 . 1 1 70 70 PHE CB C 61 38.706 38.706 38.874 -0.168 18220 10207 1 20 . 1 1 70 70 PHE H H 61 8.007 8.007 8.265 -0.258 18220 10208 1 20 . 1 1 71 71 PHE N N 62 122.314 122.314 119.198 3.116 18220 10209 1 20 . 1 1 71 71 PHE HA H 62 4.000 4.000 3.717 0.283 18220 10210 1 20 . 1 1 71 71 PHE C C 62 174.697 174.697 177.064 -2.367 18220 10211 1 20 . 1 1 71 71 PHE CA C 62 60.517 60.517 61.280 -0.763 18220 10212 1 20 . 1 1 71 71 PHE CB C 62 38.770 38.770 39.086 -0.316 18220 10213 1 20 . 1 1 71 71 PHE H H 62 8.546 8.546 8.160 0.386 18220 10214 1 20 . 1 1 72 72 LEU N N 63 119.399 119.399 120.905 -1.506 18220 10215 1 20 . 1 1 72 72 LEU HA H 63 3.870 3.870 3.702 0.168 18220 10216 1 20 . 1 1 72 72 LEU C C 63 175.774 175.774 178.654 -2.880 18220 10217 1 20 . 1 1 72 72 LEU CA C 63 56.925 56.925 58.578 -1.653 18220 10218 1 20 . 1 1 72 72 LEU CB C 63 41.207 41.207 41.453 -0.246 18220 10219 1 20 . 1 1 72 72 LEU H H 63 8.396 8.396 8.147 0.249 18220 10220 1 20 . 1 1 73 73 ALA N N 64 120.221 120.221 120.388 -0.167 18220 10221 1 20 . 1 1 73 73 ALA HA H 64 3.960 3.960 3.805 0.155 18220 10222 1 20 . 1 1 73 73 ALA C C 64 177.267 177.267 179.451 -2.184 18220 10223 1 20 . 1 1 73 73 ALA CA C 64 54.600 54.600 55.243 -0.644 18220 10224 1 20 . 1 1 73 73 ALA CB C 64 17.784 17.784 17.946 -0.162 18220 10225 1 20 . 1 1 73 73 ALA H H 64 8.025 8.025 8.451 -0.426 18220 10226 1 20 . 1 1 74 74 THR N N 65 113.648 113.648 113.240 0.408 18220 10227 1 20 . 1 1 74 74 THR HA H 65 3.980 3.980 3.780 0.200 18220 10228 1 20 . 1 1 74 74 THR CA C 65 66.291 66.291 66.662 -0.371 18220 10229 1 20 . 1 1 74 74 THR CB C 65 67.914 67.914 68.332 -0.418 18220 10230 1 20 . 1 1 74 74 THR H H 65 7.717 7.717 7.894 -0.177 18220 10231 1 20 . 1 1 75 75 ILE N N 66 120.291 120.291 118.920 1.371 18220 10232 1 20 . 1 1 75 75 ILE HA H 66 3.740 3.740 3.667 0.073 18220 10233 1 20 . 1 1 75 75 ILE C C 66 174.951 174.951 176.526 -1.575 18220 10234 1 20 . 1 1 75 75 ILE CA C 66 64.880 64.880 62.420 2.460 18220 10235 1 20 . 1 1 75 75 ILE CB C 66 37.166 37.166 37.392 -0.226 18220 10236 1 20 . 1 1 75 75 ILE H H 66 7.738 7.738 7.374 0.364 18220 10237 1 20 . 1 1 76 76 MET N N 67 117.618 117.618 117.951 -0.333 18220 10238 1 20 . 1 1 76 76 MET HA H 67 4.220 4.220 4.284 -0.064 18220 10239 1 20 . 1 1 76 76 MET C C 67 175.142 175.142 176.418 -1.276 18220 10240 1 20 . 1 1 76 76 MET CA C 67 56.723 56.723 57.502 -0.779 18220 10241 1 20 . 1 1 76 76 MET CB C 67 31.951 31.951 34.135 -2.184 18220 10242 1 20 . 1 1 76 76 MET H H 67 7.823 7.823 7.784 0.039 18220 10243 1 20 . 1 1 77 77 GLY N N 68 107.110 107.110 106.765 0.345 18220 10244 1 20 . 1 1 77 77 GLY C C 68 172.260 172.260 173.324 -1.064 18220 10245 1 20 . 1 1 77 77 GLY CA C 68 45.800 45.800 44.057 1.742 18220 10246 1 20 . 1 1 77 77 GLY H H 68 7.937 7.937 8.105 -0.168 18220 10247 1 20 . 1 1 78 78 VAL N N 69 120.431 120.431 119.621 0.810 18220 10248 1 20 . 1 1 78 78 VAL HA H 69 4.220 4.220 3.456 0.764 18220 10249 1 20 . 1 1 78 78 VAL CA C 69 63.900 63.900 61.893 2.007 18220 10250 1 20 . 1 1 78 78 VAL CB C 69 31.506 31.506 30.877 0.629 18220 10251 1 20 . 1 1 78 78 VAL H H 69 7.697 7.697 8.211 -0.514 18220 10252 1 20 . 1 1 79 79 ARG N N 70 121.420 121.420 121.980 -0.560 18220 10253 1 20 . 1 1 79 79 ARG HA H 70 3.810 3.810 3.931 -0.121 18220 10254 1 20 . 1 1 79 79 ARG CA C 70 56.400 56.400 58.175 -1.775 18220 10255 1 20 . 1 1 79 79 ARG CB C 70 30.097 30.097 30.403 -0.306 18220 10256 1 20 . 1 1 79 79 ARG H H 70 7.889 7.889 8.117 -0.228 18220 10257 1 20 . 1 1 80 80 PHE N N 71 119.949 119.949 118.206 1.743 18220 10258 1 20 . 1 1 80 80 PHE HA H 71 4.510 4.510 4.498 0.012 18220 10259 1 20 . 1 1 80 80 PHE CA C 71 58.600 58.600 57.117 1.483 18220 10260 1 20 . 1 1 80 80 PHE CB C 71 39.145 39.145 38.427 0.718 18220 10261 1 20 . 1 1 80 80 PHE H H 71 8.101 8.101 7.840 0.261 18220 10262 1 20 . 1 1 81 81 LYS N N 72 122.193 122.193 123.928 -1.735 18220 10263 1 20 . 1 1 81 81 LYS CA C 72 56.800 56.800 57.380 -0.580 18220 10264 1 20 . 1 1 81 81 LYS CB C 72 32.322 32.322 32.368 -0.046 18220 10265 1 20 . 1 1 81 81 LYS H H 72 8.090 8.090 8.423 -0.333 18220 10266 1 20 . 1 1 82 82 ARG N N 73 119.650 119.650 120.483 -0.833 18220 10267 1 20 . 1 1 82 82 ARG CA C 73 56.089 56.089 56.963 -0.874 18220 10268 1 20 . 1 1 82 82 ARG CB C 73 30.171 30.171 29.308 0.863 18220 10269 1 20 . 1 1 82 82 ARG H H 73 8.052 8.052 8.501 -0.449 18220 10270 1 20 . 1 1 83 83 SER N N 74 115.734 115.734 115.872 -0.138 18220 10271 1 20 . 1 1 83 83 SER CA C 74 58.355 58.355 58.195 0.160 18220 10272 1 20 . 1 1 83 83 SER CB C 74 63.404 63.404 63.917 -0.513 18220 10273 1 20 . 1 1 83 83 SER H H 74 7.912 7.912 7.923 -0.011 18220 10274 1 20 . 1 1 84 84 LYS N N 75 122.370 122.370 122.759 -0.389 18220 10275 1 20 . 1 1 84 84 LYS CA C 75 56.135 56.135 57.017 -0.882 18220 10276 1 20 . 1 1 84 84 LYS CB C 75 32.175 32.175 32.499 -0.324 18220 10277 1 20 . 1 1 84 84 LYS H H 75 8.067 8.067 8.287 -0.220 18220 10278 1 20 . 1 1 86 86 ILE N N 77 119.592 119.592 122.825 -3.233 18220 10279 1 20 . 1 1 86 86 ILE HA H 77 3.810 3.810 4.049 -0.239 18220 10280 1 20 . 1 1 86 86 ILE CA C 77 64.900 64.900 62.260 2.640 18220 10281 1 20 . 1 1 86 86 ILE CB C 77 39.145 39.145 38.789 0.356 18220 10282 1 20 . 1 1 86 86 ILE H H 77 7.837 7.837 8.250 -0.413 18220 10283 1 20 . 1 1 87 87 MET N N 78 121.645 121.645 120.339 1.306 18220 10284 1 20 . 1 1 87 87 MET CA C 78 52.982 52.982 58.487 -5.505 18220 10285 1 20 . 1 1 87 87 MET CB C 78 32.173 32.173 29.947 2.227 18220 10286 1 20 . 1 1 87 87 MET H H 78 7.950 7.950 8.468 -0.518 18220 10287 1 20 . 1 1 88 88 PRO HA H 79 4.140 4.140 4.401 -0.261 18220 10288 1 20 . 1 1 88 88 PRO C C 79 173.921 173.921 178.290 -4.369 18220 10289 1 20 . 1 1 88 88 PRO CA C 79 62.800 62.800 64.973 -2.173 18220 10290 1 20 . 1 1 88 88 PRO CB C 79 31.136 31.136 31.024 0.112 18220 10291 1 20 . 1 1 89 89 ALA N N 80 124.431 124.431 120.671 3.760 18220 10292 1 20 . 1 1 89 89 ALA HA H 80 4.400 4.400 3.969 0.431 18220 10293 1 20 . 1 1 89 89 ALA C C 80 176.234 176.234 179.167 -2.933 18220 10294 1 20 . 1 1 89 89 ALA CA C 80 53.300 53.300 54.733 -1.433 18220 10295 1 20 . 1 1 89 89 ALA CB C 80 18.498 18.498 18.192 0.306 18220 10296 1 20 . 1 1 89 89 ALA H H 80 8.320 8.320 8.499 -0.179 18220 10297 1 20 . 1 1 90 90 GLY N N 81 106.834 106.834 107.339 -0.505 18220 10298 1 20 . 1 1 90 90 GLY C C 81 172.398 172.398 175.958 -3.560 18220 10299 1 20 . 1 1 90 90 GLY CA C 81 45.600 45.600 47.204 -1.604 18220 10300 1 20 . 1 1 90 90 GLY H H 81 8.458 8.458 7.700 0.758 18220 10301 1 20 . 1 1 91 91 LEU N N 82 121.043 121.043 122.850 -1.807 18220 10302 1 20 . 1 1 91 91 LEU HA H 82 4.200 4.200 3.955 0.245 18220 10303 1 20 . 1 1 91 91 LEU C C 82 174.783 174.783 178.795 -4.012 18220 10304 1 20 . 1 1 91 91 LEU CA C 82 56.300 56.300 57.947 -1.647 18220 10305 1 20 . 1 1 91 91 LEU CB C 82 42.106 42.106 41.992 0.114 18220 10306 1 20 . 1 1 91 91 LEU H H 82 7.687 7.687 7.519 0.168 18220 10307 1 20 . 1 1 92 92 VAL N N 83 114.737 114.737 116.055 -1.318 18220 10308 1 20 . 1 1 92 92 VAL HA H 83 3.980 3.980 3.633 0.347 18220 10309 1 20 . 1 1 92 92 VAL C C 83 173.634 173.634 177.430 -3.796 18220 10310 1 20 . 1 1 92 92 VAL CA C 83 62.400 62.400 66.179 -3.779 18220 10311 1 20 . 1 1 92 92 VAL CB C 83 31.585 31.585 31.089 0.496 18220 10312 1 20 . 1 1 92 92 VAL H H 83 7.602 7.602 7.874 -0.272 18220 10313 1 20 . 1 1 93 93 ALA N N 84 124.320 124.320 122.364 1.956 18220 10314 1 20 . 1 1 93 93 ALA HA H 84 4.150 4.150 4.137 0.013 18220 10315 1 20 . 1 1 93 93 ALA C C 84 175.746 175.746 179.718 -3.972 18220 10316 1 20 . 1 1 93 93 ALA CA C 84 53.300 53.300 55.304 -2.004 18220 10317 1 20 . 1 1 93 93 ALA CB C 84 18.241 18.241 17.894 0.347 18220 10318 1 20 . 1 1 93 93 ALA H H 84 7.891 7.891 8.155 -0.264 18220 10319 1 20 . 1 1 94 94 GLY N N 85 106.807 106.807 108.374 -1.567 18220 10320 1 20 . 1 1 94 94 GLY C C 85 171.752 171.752 175.942 -4.190 18220 10321 1 20 . 1 1 94 94 GLY CA C 85 45.249 45.249 46.901 -1.652 18220 10322 1 20 . 1 1 94 94 GLY H H 85 8.204 8.204 8.346 -0.142 18220 10323 1 20 . 1 1 95 95 LEU N N 86 121.266 121.266 122.695 -1.429 18220 10324 1 20 . 1 1 95 95 LEU HA H 86 4.380 4.380 3.998 0.382 18220 10325 1 20 . 1 1 95 95 LEU C C 86 173.702 173.702 179.125 -5.423 18220 10326 1 20 . 1 1 95 95 LEU CA C 86 55.000 55.000 57.760 -2.760 18220 10327 1 20 . 1 1 95 95 LEU CB C 86 42.298 42.298 41.055 1.243 18220 10328 1 20 . 1 1 95 95 LEU H H 86 7.718 7.718 8.297 -0.579 18220 10329 1 20 . 1 1 96 96 SER N N 87 115.658 115.658 115.065 0.593 18220 10330 1 20 . 1 1 96 96 SER HA H 87 4.370 4.370 4.112 0.258 18220 10331 1 20 . 1 1 96 96 SER C C 87 172.479 172.479 176.546 -4.067 18220 10332 1 20 . 1 1 96 96 SER CA C 87 57.200 57.200 62.114 -4.914 18220 10333 1 20 . 1 1 96 96 SER CB C 87 64.174 64.174 63.027 1.147 18220 10334 1 20 . 1 1 96 96 SER H H 87 7.659 7.659 8.027 -0.368 18220 10335 1 20 . 1 1 97 97 LEU N N 88 123.720 123.720 122.506 1.214 18220 10336 1 20 . 1 1 97 97 LEU HA H 88 4.600 4.600 3.871 0.729 18220 10337 1 20 . 1 1 97 97 LEU C C 88 175.932 175.932 178.396 -2.464 18220 10338 1 20 . 1 1 97 97 LEU CA C 88 57.600 57.600 58.390 -0.790 18220 10339 1 20 . 1 1 97 97 LEU CB C 88 41.400 41.400 42.048 -0.648 18220 10340 1 20 . 1 1 97 97 LEU H H 88 8.733 8.733 7.854 0.879 18220 10341 1 20 . 1 1 98 98 MET N N 89 116.684 116.684 118.322 -1.638 18220 10342 1 20 . 1 1 98 98 MET HA H 89 4.280 4.280 3.934 0.346 18220 10343 1 20 . 1 1 98 98 MET C C 89 175.789 175.789 178.355 -2.566 18220 10344 1 20 . 1 1 98 98 MET CA C 89 56.915 56.915 58.877 -1.962 18220 10345 1 20 . 1 1 98 98 MET CB C 89 31.007 31.007 32.512 -1.505 18220 10346 1 20 . 1 1 98 98 MET H H 89 8.342 8.342 8.425 -0.083 18220 10347 1 20 . 1 1 99 99 MET N N 90 119.182 119.182 119.299 -0.117 18220 10348 1 20 . 1 1 99 99 MET HA H 90 4.110 4.110 3.986 0.124 18220 10349 1 20 . 1 1 99 99 MET C C 90 175.588 175.588 178.658 -3.070 18220 10350 1 20 . 1 1 99 99 MET CA C 90 57.951 57.951 59.319 -1.368 18220 10351 1 20 . 1 1 99 99 MET CB C 90 32.226 32.226 32.218 0.008 18220 10352 1 20 . 1 1 99 99 MET H H 90 7.720 7.720 7.919 -0.199 18220 10353 1 20 . 1 1 100 100 ILE N N 91 119.077 119.077 119.717 -0.640 18220 10354 1 20 . 1 1 100 100 ILE HA H 91 4.110 4.110 3.593 0.517 18220 10355 1 20 . 1 1 100 100 ILE C C 91 174.634 174.634 178.785 -4.151 18220 10356 1 20 . 1 1 100 100 ILE CA C 91 64.100 64.100 65.058 -0.958 18220 10357 1 20 . 1 1 100 100 ILE CB C 91 37.143 37.143 37.777 -0.634 18220 10358 1 20 . 1 1 100 100 ILE H H 91 7.662 7.662 8.514 -0.852 18220 10359 1 20 . 1 1 101 101 LEU N N 92 119.646 119.646 119.582 0.064 18220 10360 1 20 . 1 1 101 101 LEU HA H 92 4.530 4.530 3.927 0.603 18220 10361 1 20 . 1 1 101 101 LEU C C 92 175.430 175.430 178.780 -3.350 18220 10362 1 20 . 1 1 101 101 LEU CA C 92 57.800 57.800 58.206 -0.406 18220 10363 1 20 . 1 1 101 101 LEU CB C 92 40.758 40.758 41.778 -1.020 18220 10364 1 20 . 1 1 101 101 LEU H H 92 8.142 8.142 8.160 -0.018 18220 10365 1 20 . 1 1 102 102 ARG N N 93 116.394 116.394 118.979 -2.585 18220 10366 1 20 . 1 1 102 102 ARG HA H 93 4.140 4.140 4.033 0.107 18220 10367 1 20 . 1 1 102 102 ARG C C 93 175.961 175.961 178.475 -2.514 18220 10368 1 20 . 1 1 102 102 ARG CA C 93 59.100 59.100 59.085 0.015 18220 10369 1 20 . 1 1 102 102 ARG CB C 93 29.404 29.404 29.874 -0.470 18220 10370 1 20 . 1 1 102 102 ARG H H 93 7.893 7.893 8.088 -0.195 18220 10371 1 20 . 1 1 103 103 LEU N N 94 119.114 119.114 121.247 -2.133 18220 10372 1 20 . 1 1 103 103 LEU HA H 94 4.110 4.110 4.016 0.094 18220 10373 1 20 . 1 1 103 103 LEU C C 94 175.889 175.889 178.618 -2.729 18220 10374 1 20 . 1 1 103 103 LEU CA C 94 57.300 57.300 57.879 -0.579 18220 10375 1 20 . 1 1 103 103 LEU CB C 94 41.296 41.296 40.762 0.534 18220 10376 1 20 . 1 1 103 103 LEU H H 94 7.622 7.622 7.996 -0.374 18220 10377 1 20 . 1 1 104 104 VAL N N 95 117.704 117.704 119.095 -1.391 18220 10378 1 20 . 1 1 104 104 VAL HA H 95 3.530 3.530 3.619 -0.089 18220 10379 1 20 . 1 1 104 104 VAL C C 95 175.042 175.042 178.417 -3.375 18220 10380 1 20 . 1 1 104 104 VAL CA C 95 66.419 66.419 65.914 0.505 18220 10381 1 20 . 1 1 104 104 VAL CB C 95 31.357 31.357 31.245 0.112 18220 10382 1 20 . 1 1 104 104 VAL H H 95 8.026 8.026 7.592 0.434 18220 10383 1 20 . 1 1 105 105 LEU N N 96 117.185 117.185 120.256 -3.071 18220 10384 1 20 . 1 1 105 105 LEU HA H 96 3.980 3.980 3.942 0.038 18220 10385 1 20 . 1 1 105 105 LEU C C 96 176.579 176.579 178.582 -2.003 18220 10386 1 20 . 1 1 105 105 LEU CA C 96 56.800 56.800 57.924 -1.124 18220 10387 1 20 . 1 1 105 105 LEU CB C 96 40.951 40.951 41.936 -0.985 18220 10388 1 20 . 1 1 105 105 LEU H H 96 7.893 7.893 7.529 0.364 18220 10389 1 20 . 1 1 106 106 LEU N N 97 118.471 118.471 119.684 -1.213 18220 10390 1 20 . 1 1 106 106 LEU HA H 97 4.180 4.180 3.864 0.316 18220 10391 1 20 . 1 1 106 106 LEU C C 97 175.802 175.802 178.266 -2.464 18220 10392 1 20 . 1 1 106 106 LEU CA C 97 56.300 56.300 57.599 -1.299 18220 10393 1 20 . 1 1 106 106 LEU CB C 97 41.592 41.592 42.234 -0.642 18220 10394 1 20 . 1 1 106 106 LEU H H 97 7.545 7.545 8.236 -0.691 18220 10395 1 20 . 1 1 107 107 LEU N N 98 118.162 118.162 118.439 -0.277 18220 10396 1 20 . 1 1 107 107 LEU HA H 98 4.230 4.230 4.135 0.095 18220 10397 1 20 . 1 1 107 107 LEU C C 98 174.174 174.174 178.019 -3.845 18220 10398 1 20 . 1 1 107 107 LEU CA C 98 56.283 56.283 56.723 -0.440 18220 10399 1 20 . 1 1 107 107 LEU CB C 98 42.362 42.362 42.494 -0.132 18220 10400 1 20 . 1 1 107 107 LEU H H 98 7.688 7.688 7.902 -0.214 18220 stop_ loop_ _SPARTA_output.Data_ID _SPARTA_output.Entity_delta_chem_shifts_ID _SPARTA_output.Conformer_ID _SPARTA_output.Data_type _SPARTA_output.Data_atom _SPARTA_output.Data_num_shifts _SPARTA_output.Data_value _SPARTA_output.Data_low_range _SPARTA_output.Data_high_range _SPARTA_output.Entry_ID 1 1 1 "Average Difference" N 94 2.269 0.305 2.260 18220 2 1 1 "Average Difference" HA 100 0.268 -0.112 0.245 18220 3 1 1 "Average Difference" C 81 2.982 2.750 1.161 18220 4 1 1 "Average Difference" CA 96 1.878 0.803 1.706 18220 5 1 1 "Average Difference" CB 81 3.770 -0.162 3.790 18220 6 1 1 "Average Difference" HN 94 0.372 0.111 0.357 18220 7 1 2 "Average Difference" N 94 2.445 0.152 2.453 18220 8 1 2 "Average Difference" HA 100 0.284 -0.085 0.273 18220 9 1 2 "Average Difference" C 81 2.823 2.554 1.209 18220 10 1 2 "Average Difference" CA 96 1.562 0.745 1.380 18220 11 1 2 "Average Difference" CB 81 3.765 0.027 3.788 18220 12 1 2 "Average Difference" HN 94 0.388 0.117 0.372 18220 13 1 3 "Average Difference" N 94 1.900 0.286 1.889 18220 14 1 3 "Average Difference" HA 100 0.278 -0.097 0.262 18220 15 1 3 "Average Difference" C 81 2.866 2.583 1.250 18220 16 1 3 "Average Difference" CA 96 1.582 0.677 1.438 18220 17 1 3 "Average Difference" CB 81 3.960 0.018 3.985 18220 18 1 3 "Average Difference" HN 94 0.370 0.178 0.326 18220 19 1 4 "Average Difference" N 94 2.118 0.664 2.022 18220 20 1 4 "Average Difference" HA 100 0.296 -0.097 0.281 18220 21 1 4 "Average Difference" C 81 2.888 2.560 1.344 18220 22 1 4 "Average Difference" CA 96 1.625 0.667 1.490 18220 23 1 4 "Average Difference" CB 81 3.792 -0.075 3.815 18220 24 1 4 "Average Difference" HN 94 0.358 0.148 0.328 18220 25 1 5 "Average Difference" N 94 1.745 -0.098 1.752 18220 26 1 5 "Average Difference" HA 100 0.315 -0.061 0.310 18220 27 1 5 "Average Difference" C 81 2.957 2.688 1.239 18220 28 1 5 "Average Difference" CA 96 1.730 0.687 1.596 18220 29 1 5 "Average Difference" CB 81 3.809 -0.083 3.832 18220 30 1 5 "Average Difference" HN 94 0.376 0.172 0.336 18220 31 1 6 "Average Difference" N 94 2.099 0.210 2.099 18220 32 1 6 "Average Difference" HA 100 0.282 -0.087 0.269 18220 33 1 6 "Average Difference" C 81 2.904 2.659 1.177 18220 34 1 6 "Average Difference" CA 96 1.735 0.686 1.602 18220 35 1 6 "Average Difference" CB 81 3.762 -0.134 3.783 18220 36 1 6 "Average Difference" HN 94 0.366 0.119 0.348 18220 37 1 7 "Average Difference" N 94 1.722 0.087 1.729 18220 38 1 7 "Average Difference" HA 100 0.277 -0.047 0.274 18220 39 1 7 "Average Difference" C 81 2.896 2.581 1.321 18220 40 1 7 "Average Difference" CA 96 1.548 0.679 1.399 18220 41 1 7 "Average Difference" CB 81 3.830 -0.052 3.854 18220 42 1 7 "Average Difference" HN 94 0.342 0.128 0.319 18220 43 1 8 "Average Difference" N 94 1.884 0.087 1.892 18220 44 1 8 "Average Difference" HA 100 0.283 -0.060 0.278 18220 45 1 8 "Average Difference" C 81 2.838 2.468 1.410 18220 46 1 8 "Average Difference" CA 96 1.852 0.683 1.731 18220 47 1 8 "Average Difference" CB 81 3.781 0.017 3.804 18220 48 1 8 "Average Difference" HN 94 0.378 0.126 0.358 18220 49 1 9 "Average Difference" N 94 2.073 0.163 2.078 18220 50 1 9 "Average Difference" HA 100 0.315 -0.072 0.309 18220 51 1 9 "Average Difference" C 81 2.811 2.489 1.315 18220 52 1 9 "Average Difference" CA 96 1.596 0.590 1.491 18220 53 1 9 "Average Difference" CB 81 3.729 -0.001 3.752 18220 54 1 9 "Average Difference" HN 94 0.403 0.133 0.383 18220 55 1 10 "Average Difference" N 94 1.932 -0.146 1.937 18220 56 1 10 "Average Difference" HA 100 0.279 -0.083 0.267 18220 57 1 10 "Average Difference" C 81 2.945 2.660 1.272 18220 58 1 10 "Average Difference" CA 96 1.639 0.689 1.495 18220 59 1 10 "Average Difference" CB 81 3.836 -0.012 3.859 18220 60 1 10 "Average Difference" HN 94 0.368 0.141 0.341 18220 61 1 11 "Average Difference" N 94 1.945 0.191 1.946 18220 62 1 11 "Average Difference" HA 100 0.283 -0.081 0.273 18220 63 1 11 "Average Difference" C 81 2.902 2.648 1.194 18220 64 1 11 "Average Difference" CA 96 1.813 0.765 1.652 18220 65 1 11 "Average Difference" CB 81 3.820 -0.031 3.844 18220 66 1 11 "Average Difference" HN 94 0.384 0.152 0.354 18220 67 1 12 "Average Difference" N 94 2.035 0.161 2.039 18220 68 1 12 "Average Difference" HA 100 0.294 -0.085 0.283 18220 69 1 12 "Average Difference" C 81 2.839 2.559 1.238 18220 70 1 12 "Average Difference" CA 96 1.583 0.610 1.469 18220 71 1 12 "Average Difference" CB 81 3.797 0.016 3.820 18220 72 1 12 "Average Difference" HN 94 0.351 0.121 0.331 18220 73 1 13 "Average Difference" N 94 2.054 -0.129 2.061 18220 74 1 13 "Average Difference" HA 100 0.283 -0.082 0.272 18220 75 1 13 "Average Difference" C 81 2.850 2.537 1.307 18220 76 1 13 "Average Difference" CA 96 1.639 0.694 1.493 18220 77 1 13 "Average Difference" CB 81 3.732 0.021 3.755 18220 78 1 13 "Average Difference" HN 94 0.361 0.103 0.347 18220 79 1 14 "Average Difference" N 94 2.262 -0.233 2.262 18220 80 1 14 "Average Difference" HA 100 0.275 -0.106 0.254 18220 81 1 14 "Average Difference" C 81 2.900 2.613 1.265 18220 82 1 14 "Average Difference" CA 96 1.620 0.667 1.484 18220 83 1 14 "Average Difference" CB 81 3.963 -0.050 3.988 18220 84 1 14 "Average Difference" HN 94 0.412 0.114 0.398 18220 85 1 15 "Average Difference" N 94 1.991 0.171 1.994 18220 86 1 15 "Average Difference" HA 100 0.297 -0.076 0.289 18220 87 1 15 "Average Difference" C 81 2.851 2.549 1.286 18220 88 1 15 "Average Difference" CA 96 1.603 0.719 1.440 18220 89 1 15 "Average Difference" CB 81 3.738 -0.055 3.761 18220 90 1 15 "Average Difference" HN 94 0.357 0.144 0.328 18220 91 1 16 "Average Difference" N 94 2.309 -0.015 2.322 18220 92 1 16 "Average Difference" HA 100 0.319 -0.037 0.319 18220 93 1 16 "Average Difference" C 81 2.969 2.651 1.345 18220 94 1 16 "Average Difference" CA 96 1.916 0.824 1.739 18220 95 1 16 "Average Difference" CB 81 3.902 -0.084 3.926 18220 96 1 16 "Average Difference" HN 94 0.355 0.137 0.329 18220 97 1 17 "Average Difference" N 94 2.092 0.335 2.077 18220 98 1 17 "Average Difference" HA 100 0.266 -0.046 0.263 18220 99 1 17 "Average Difference" C 81 2.820 2.513 1.288 18220 100 1 17 "Average Difference" CA 96 1.576 0.603 1.464 18220 101 1 17 "Average Difference" CB 81 3.762 0.045 3.785 18220 102 1 17 "Average Difference" HN 94 0.354 0.162 0.317 18220 103 1 18 "Average Difference" N 94 2.106 -0.049 2.116 18220 104 1 18 "Average Difference" HA 100 0.272 -0.102 0.253 18220 105 1 18 "Average Difference" C 81 2.888 2.563 1.341 18220 106 1 18 "Average Difference" CA 96 1.717 0.728 1.563 18220 107 1 18 "Average Difference" CB 81 3.829 -0.053 3.853 18220 108 1 18 "Average Difference" HN 94 0.386 0.159 0.353 18220 109 1 19 "Average Difference" N 94 2.269 0.122 2.278 18220 110 1 19 "Average Difference" HA 100 0.284 -0.081 0.273 18220 111 1 19 "Average Difference" C 81 2.867 2.581 1.257 18220 112 1 19 "Average Difference" CA 96 1.627 0.685 1.484 18220 113 1 19 "Average Difference" CB 81 3.819 -0.060 3.842 18220 114 1 19 "Average Difference" HN 94 0.359 0.144 0.331 18220 115 1 20 "Average Difference" N 94 1.836 0.343 1.813 18220 116 1 20 "Average Difference" HA 100 0.288 -0.115 0.265 18220 117 1 20 "Average Difference" C 81 2.792 2.440 1.366 18220 118 1 20 "Average Difference" CA 96 1.723 0.807 1.530 18220 119 1 20 "Average Difference" CB 81 3.745 -0.118 3.767 18220 120 1 20 "Average Difference" HN 94 0.369 0.119 0.351 18220 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 18220 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 11 11 ASP N N 2 120.536 120.536 122.288 -1.752 18220 2 1 . 1 1 11 11 ASP CA C 2 55.918 55.918 54.389 1.529 18220 3 1 . 1 1 11 11 ASP CB C 2 37.959 37.959 41.687 -3.728 18220 4 1 . 1 1 11 11 ASP H H 2 7.863 7.863 8.402 -0.539 18220 5 1 . 1 1 12 12 LEU N N 3 121.414 121.414 122.641 -1.227 18220 6 1 . 1 1 12 12 LEU C C 3 176.162 176.162 176.046 0.116 18220 7 1 . 1 1 12 12 LEU CA C 3 57.600 57.600 55.064 2.536 18220 8 1 . 1 1 12 12 LEU CB C 3 41.657 41.657 42.575 -0.919 18220 9 1 . 1 1 12 12 LEU H H 3 8.285 8.285 8.209 0.076 18220 10 1 . 1 1 13 13 ILE N N 4 118.854 118.854 120.719 -1.865 18220 11 1 . 1 1 13 13 ILE HA H 4 3.740 3.740 4.385 -0.645 18220 12 1 . 1 1 13 13 ILE C C 4 175.228 175.228 175.666 -0.438 18220 13 1 . 1 1 13 13 ILE CA C 4 64.500 64.500 60.941 3.559 18220 14 1 . 1 1 13 13 ILE CB C 4 37.102 37.102 39.751 -2.649 18220 15 1 . 1 1 13 13 ILE H H 4 8.031 8.031 8.159 -0.128 18220 16 1 . 1 1 14 14 GLY N N 5 107.478 107.478 110.914 -3.436 18220 17 1 . 1 1 14 14 GLY C C 5 174.424 174.424 174.595 -0.171 18220 18 1 . 1 1 14 14 GLY CA C 5 47.059 47.059 45.093 1.966 18220 19 1 . 1 1 14 14 GLY H H 5 8.148 8.148 8.163 -0.015 18220 20 1 . 1 1 15 15 PHE N N 6 122.774 122.774 124.107 -1.333 18220 21 1 . 1 1 15 15 PHE HA H 6 4.480 4.480 4.383 0.097 18220 22 1 . 1 1 15 15 PHE C C 6 175.113 175.113 177.217 -2.104 18220 23 1 . 1 1 15 15 PHE CA C 6 60.017 60.017 60.104 -0.087 18220 24 1 . 1 1 15 15 PHE CB C 6 38.774 38.774 39.365 -0.591 18220 25 1 . 1 1 15 15 PHE H H 6 8.194 8.194 8.632 -0.438 18220 26 1 . 1 1 16 16 GLY N N 7 107.938 107.938 107.707 0.231 18220 27 1 . 1 1 16 16 GLY C C 7 171.838 171.838 175.929 -4.091 18220 28 1 . 1 1 16 16 GLY CA C 7 47.100 47.100 47.526 -0.426 18220 29 1 . 1 1 16 16 GLY H H 7 8.697 8.697 8.517 0.180 18220 30 1 . 1 1 17 17 TYR N N 8 121.785 121.785 122.905 -1.120 18220 31 1 . 1 1 17 17 TYR HA H 8 4.150 4.150 4.097 0.053 18220 32 1 . 1 1 17 17 TYR C C 8 174.180 174.180 177.680 -3.500 18220 33 1 . 1 1 17 17 TYR CA C 8 61.300 61.300 61.034 0.266 18220 34 1 . 1 1 17 17 TYR CB C 8 37.959 37.959 38.144 -0.185 18220 35 1 . 1 1 17 17 TYR H H 8 8.710 8.710 8.291 0.419 18220 36 1 . 1 1 18 18 ALA N N 9 120.233 120.233 120.616 -0.383 18220 37 1 . 1 1 18 18 ALA HA H 9 3.950 3.950 3.892 0.058 18220 38 1 . 1 1 18 18 ALA C C 9 178.059 178.059 178.933 -0.874 18220 39 1 . 1 1 18 18 ALA CA C 9 54.872 54.872 55.043 -0.171 18220 40 1 . 1 1 18 18 ALA CB C 9 17.562 17.562 17.655 -0.093 18220 41 1 . 1 1 18 18 ALA H H 9 7.843 7.843 8.198 -0.355 18220 42 1 . 1 1 19 19 ALA N N 10 121.797 121.797 121.200 0.597 18220 43 1 . 1 1 19 19 ALA HA H 10 3.950 3.950 4.147 -0.197 18220 44 1 . 1 1 19 19 ALA C C 10 176.191 176.191 179.663 -3.472 18220 45 1 . 1 1 19 19 ALA CA C 10 54.600 54.600 54.563 0.037 18220 46 1 . 1 1 19 19 ALA CB C 10 17.562 17.562 18.202 -0.640 18220 47 1 . 1 1 19 19 ALA H H 10 8.212 8.212 7.753 0.459 18220 48 1 . 1 1 20 20 LEU N N 11 119.442 119.442 120.767 -1.325 18220 49 1 . 1 1 20 20 LEU HA H 11 3.937 3.937 4.030 -0.093 18220 50 1 . 1 1 20 20 LEU C C 11 176.694 176.694 178.739 -2.045 18220 51 1 . 1 1 20 20 LEU CA C 11 57.800 57.800 58.080 -0.280 18220 52 1 . 1 1 20 20 LEU CB C 11 41.222 41.222 41.794 -0.572 18220 53 1 . 1 1 20 20 LEU H H 11 8.065 8.065 7.908 0.157 18220 54 1 . 1 1 21 21 VAL N N 12 118.323 118.323 118.584 -0.261 18220 55 1 . 1 1 21 21 VAL HA H 12 3.640 3.640 3.528 0.112 18220 56 1 . 1 1 21 21 VAL C C 12 176.536 176.536 178.025 -1.489 18220 57 1 . 1 1 21 21 VAL CA C 12 65.400 65.400 66.995 -1.595 18220 58 1 . 1 1 21 21 VAL CB C 12 31.135 31.135 31.107 0.028 18220 59 1 . 1 1 21 21 VAL H H 12 8.051 8.051 8.355 -0.304 18220 60 1 . 1 1 22 22 THR N N 13 118.298 118.298 116.718 1.580 18220 61 1 . 1 1 22 22 THR HA H 13 4.660 4.660 3.920 0.740 18220 62 1 . 1 1 22 22 THR C C 13 173.734 173.734 176.565 -2.831 18220 63 1 . 1 1 22 22 THR CA C 13 66.300 66.300 67.149 -0.849 18220 64 1 . 1 1 22 22 THR CB C 13 67.775 67.775 68.672 -0.897 18220 65 1 . 1 1 22 22 THR H H 13 7.944 7.944 8.046 -0.102 18220 66 1 . 1 1 23 23 PHE N N 14 121.328 121.328 121.404 -0.075 18220 67 1 . 1 1 23 23 PHE HA H 14 4.340 4.340 4.092 0.248 18220 68 1 . 1 1 23 23 PHE C C 14 174.783 174.783 177.800 -3.018 18220 69 1 . 1 1 23 23 PHE CA C 14 60.500 60.500 61.584 -1.083 18220 70 1 . 1 1 23 23 PHE CB C 14 38.626 38.626 38.679 -0.054 18220 71 1 . 1 1 23 23 PHE H H 14 8.567 8.567 8.337 0.230 18220 72 1 . 1 1 24 24 GLY N N 15 106.871 106.871 106.468 0.403 18220 73 1 . 1 1 24 24 GLY C C 15 172.858 172.858 176.183 -3.325 18220 74 1 . 1 1 24 24 GLY CA C 15 46.900 46.900 47.225 -0.325 18220 75 1 . 1 1 24 24 GLY H H 15 8.475 8.475 8.495 -0.020 18220 76 1 . 1 1 25 25 SER N N 16 116.214 116.214 118.236 -2.022 18220 77 1 . 1 1 25 25 SER HA H 16 4.280 4.280 4.071 0.209 18220 78 1 . 1 1 25 25 SER CA C 16 60.300 60.300 61.737 -1.437 18220 79 1 . 1 1 25 25 SER CB C 16 62.879 62.879 63.044 -0.165 18220 80 1 . 1 1 25 25 SER H H 16 7.963 7.963 8.201 -0.238 18220 81 1 . 1 1 26 26 ILE N N 17 121.024 121.024 121.177 -0.153 18220 82 1 . 1 1 26 26 ILE HA H 17 3.946 3.946 3.656 0.290 18220 83 1 . 1 1 26 26 ILE C C 17 173.935 173.935 178.323 -4.388 18220 84 1 . 1 1 26 26 ILE CA C 17 63.100 63.100 64.731 -1.631 18220 85 1 . 1 1 26 26 ILE CB C 17 38.107 38.107 37.598 0.509 18220 86 1 . 1 1 26 26 ILE H H 17 7.676 7.676 8.300 -0.624 18220 87 1 . 1 1 27 27 PHE N N 18 117.142 117.142 119.736 -2.594 18220 88 1 . 1 1 27 27 PHE HA H 18 4.430 4.430 4.191 0.239 18220 89 1 . 1 1 27 27 PHE C C 18 173.504 173.504 177.265 -3.761 18220 90 1 . 1 1 27 27 PHE CA C 18 58.500 58.500 60.835 -2.335 18220 91 1 . 1 1 27 27 PHE CB C 18 38.774 38.774 38.791 -0.018 18220 92 1 . 1 1 27 27 PHE H H 18 7.703 7.703 8.293 -0.590 18220 93 1 . 1 1 28 28 GLY N N 19 107.303 107.303 104.746 2.557 18220 94 1 . 1 1 28 28 GLY C C 19 171.593 171.593 174.124 -2.531 18220 95 1 . 1 1 28 28 GLY CA C 19 45.600 45.600 45.417 0.183 18220 96 1 . 1 1 28 28 GLY H H 19 7.722 7.722 7.698 0.024 18220 97 1 . 1 1 29 29 TYR N N 20 119.862 119.862 118.975 0.887 18220 98 1 . 1 1 29 29 TYR HA H 20 4.392 4.392 4.196 0.196 18220 99 1 . 1 1 29 29 TYR C C 20 173.174 173.174 174.478 -1.304 18220 100 1 . 1 1 29 29 TYR CA C 20 58.500 58.500 58.941 -0.441 18220 101 1 . 1 1 29 29 TYR CB C 20 38.404 38.404 37.944 0.460 18220 102 1 . 1 1 29 29 TYR H H 20 7.880 7.880 7.881 -0.001 18220 103 1 . 1 1 30 30 LYS N N 21 122.335 122.335 122.928 -0.593 18220 104 1 . 1 1 30 30 LYS HA H 21 4.390 4.390 4.436 -0.046 18220 105 1 . 1 1 30 30 LYS C C 21 173.547 173.547 175.651 -2.105 18220 106 1 . 1 1 30 30 LYS CA C 21 55.800 55.800 56.134 -0.334 18220 107 1 . 1 1 30 30 LYS CB C 21 32.396 32.396 33.546 -1.150 18220 108 1 . 1 1 30 30 LYS H H 21 7.934 7.934 8.103 -0.169 18220 109 1 . 1 1 31 31 ARG N N 22 120.612 120.612 120.616 -0.004 18220 110 1 . 1 1 31 31 ARG C C 22 173.547 173.547 175.563 -2.016 18220 111 1 . 1 1 31 31 ARG CA C 22 55.834 55.834 56.637 -0.802 18220 112 1 . 1 1 31 31 ARG CB C 22 30.101 30.101 30.760 -0.659 18220 113 1 . 1 1 31 31 ARG H H 22 7.905 7.905 8.383 -0.478 18220 114 1 . 1 1 32 32 ARG N N 23 121.748 121.748 120.043 1.705 18220 115 1 . 1 1 32 32 ARG HA H 23 4.310 4.310 4.326 -0.016 18220 116 1 . 1 1 32 32 ARG C C 23 173.863 173.863 175.458 -1.595 18220 117 1 . 1 1 32 32 ARG CA C 23 55.800 55.800 56.377 -0.577 18220 118 1 . 1 1 32 32 ARG CB C 23 30.245 30.245 30.955 -0.710 18220 119 1 . 1 1 32 32 ARG H H 23 8.175 8.175 8.366 -0.191 18220 120 1 . 1 1 33 33 GLY N N 24 109.528 109.528 109.033 0.495 18220 121 1 . 1 1 33 33 GLY C C 24 171.752 171.752 173.699 -1.947 18220 122 1 . 1 1 33 33 GLY CA C 24 44.900 44.900 44.909 -0.009 18220 123 1 . 1 1 33 33 GLY H H 24 8.264 8.264 8.390 -0.126 18220 124 1 . 1 1 34 34 GLY N N 25 108.563 108.563 108.569 -0.006 18220 125 1 . 1 1 34 34 GLY C C 25 171.701 171.701 174.010 -2.309 18220 126 1 . 1 1 34 34 GLY CA C 25 44.600 44.600 45.010 -0.410 18220 127 1 . 1 1 34 34 GLY H H 25 8.208 8.208 8.250 -0.042 18220 128 1 . 1 1 35 35 VAL N N 26 121.164 121.164 120.805 0.359 18220 129 1 . 1 1 35 35 VAL HA H 26 4.010 4.010 4.171 -0.161 18220 130 1 . 1 1 35 35 VAL C C 26 175.888 175.888 174.381 1.507 18220 131 1 . 1 1 35 35 VAL CA C 26 63.900 63.900 61.172 2.728 18220 132 1 . 1 1 35 35 VAL CB C 26 30.690 30.690 32.311 -1.621 18220 133 1 . 1 1 35 35 VAL H H 26 8.485 8.485 8.092 0.393 18220 134 1 . 1 1 36 36 PRO C C 27 177.660 177.660 176.611 1.049 18220 135 1 . 1 1 36 36 PRO CA C 27 61.847 61.847 63.350 -1.503 18220 136 1 . 1 1 37 37 SER N N 28 116.023 116.023 114.366 1.657 18220 137 1 . 1 1 37 37 SER HA H 28 4.280 4.280 4.330 -0.050 18220 138 1 . 1 1 37 37 SER CA C 28 61.100 61.100 59.442 1.658 18220 139 1 . 1 1 37 37 SER H H 28 7.948 7.948 8.206 -0.258 18220 140 1 . 1 1 38 38 LEU N N 29 124.029 124.029 123.725 0.304 18220 141 1 . 1 1 38 38 LEU HA H 29 4.170 4.170 3.987 0.183 18220 142 1 . 1 1 38 38 LEU C C 29 176.132 176.132 178.392 -2.260 18220 143 1 . 1 1 38 38 LEU CA C 29 57.500 57.500 58.236 -0.736 18220 144 1 . 1 1 38 38 LEU CB C 29 42.038 42.038 41.827 0.211 18220 145 1 . 1 1 38 38 LEU H H 29 8.201 8.201 8.243 -0.042 18220 146 1 . 1 1 39 39 ILE N N 30 117.098 117.098 117.956 -0.858 18220 147 1 . 1 1 39 39 ILE HA H 30 4.370 4.370 3.655 0.715 18220 148 1 . 1 1 39 39 ILE C C 30 176.478 176.478 177.570 -1.092 18220 149 1 . 1 1 39 39 ILE CA C 30 63.079 63.079 64.763 -1.684 18220 150 1 . 1 1 39 39 ILE CB C 30 36.973 36.973 37.003 -0.030 18220 151 1 . 1 1 39 39 ILE H H 30 7.662 7.662 7.805 -0.143 18220 152 1 . 1 1 40 40 ALA N N 31 122.447 122.447 121.664 0.783 18220 153 1 . 1 1 40 40 ALA HA H 31 4.034 4.034 4.071 -0.037 18220 154 1 . 1 1 40 40 ALA C C 31 177.067 177.067 179.867 -2.800 18220 155 1 . 1 1 40 40 ALA CA C 31 55.962 55.962 55.315 0.647 18220 156 1 . 1 1 40 40 ALA CB C 31 17.856 17.856 17.755 0.101 18220 157 1 . 1 1 40 40 ALA H H 31 8.096 8.096 7.947 0.149 18220 158 1 . 1 1 41 41 GLY N N 32 104.056 104.056 106.772 -2.716 18220 159 1 . 1 1 41 41 GLY C C 32 174.251 174.251 176.262 -2.011 18220 160 1 . 1 1 41 41 GLY CA C 32 46.500 46.500 46.761 -0.261 18220 161 1 . 1 1 41 41 GLY H H 32 8.123 8.123 8.002 0.121 18220 162 1 . 1 1 42 42 LEU N N 33 123.250 123.250 123.410 -0.160 18220 163 1 . 1 1 42 42 LEU HA H 33 3.857 3.857 4.158 -0.301 18220 164 1 . 1 1 42 42 LEU C C 33 176.033 176.033 178.493 -2.460 18220 165 1 . 1 1 42 42 LEU CA C 33 56.668 56.668 57.823 -1.155 18220 166 1 . 1 1 42 42 LEU CB C 33 41.721 41.721 41.879 -0.158 18220 167 1 . 1 1 42 42 LEU H H 33 7.914 7.914 8.055 -0.141 18220 168 1 . 1 1 43 43 PHE N N 34 119.757 119.757 119.552 0.205 18220 169 1 . 1 1 43 43 PHE HA H 34 4.200 4.200 4.114 0.086 18220 170 1 . 1 1 43 43 PHE C C 34 174.374 174.374 177.807 -3.433 18220 171 1 . 1 1 43 43 PHE CA C 34 59.876 59.876 62.486 -2.610 18220 172 1 . 1 1 43 43 PHE CB C 34 38.834 38.834 38.793 0.041 18220 173 1 . 1 1 43 43 PHE H H 34 8.287 8.287 8.581 -0.294 18220 174 1 . 1 1 44 44 VAL N N 35 117.791 117.791 118.662 -0.871 18220 175 1 . 1 1 44 44 VAL HA H 35 3.610 3.610 3.680 -0.070 18220 176 1 . 1 1 44 44 VAL C C 35 176.205 176.205 178.083 -1.878 18220 177 1 . 1 1 44 44 VAL CA C 35 64.559 64.559 66.903 -2.344 18220 178 1 . 1 1 44 44 VAL CB C 35 31.432 31.432 31.369 0.063 18220 179 1 . 1 1 44 44 VAL H H 35 8.235 8.235 8.463 -0.228 18220 180 1 . 1 1 45 45 GLY N N 36 108.551 108.551 107.374 1.177 18220 181 1 . 1 1 45 45 GLY C C 36 173.749 173.749 175.905 -2.156 18220 182 1 . 1 1 45 45 GLY CA C 36 46.083 46.083 47.477 -1.394 18220 183 1 . 1 1 45 45 GLY H H 36 8.178 8.178 8.226 -0.048 18220 184 1 . 1 1 46 46 CYS N N 37 121.173 121.173 120.991 0.182 18220 185 1 . 1 1 46 46 CYS HA H 37 4.180 4.180 4.061 0.119 18220 186 1 . 1 1 46 46 CYS C C 37 173.710 173.710 176.837 -3.127 18220 187 1 . 1 1 46 46 CYS CA C 37 63.000 63.000 63.541 -0.541 18220 188 1 . 1 1 46 46 CYS CB C 37 60.283 60.283 27.335 32.948 18220 189 1 . 1 1 46 46 CYS H H 37 8.253 8.253 8.151 0.102 18220 190 1 . 1 1 47 47 LEU N N 38 120.283 120.283 121.078 -0.795 18220 191 1 . 1 1 47 47 LEU HA H 38 4.060 4.060 3.799 0.261 18220 192 1 . 1 1 47 47 LEU C C 38 176.679 176.679 178.591 -1.912 18220 193 1 . 1 1 47 47 LEU CA C 38 56.027 56.027 58.189 -2.162 18220 194 1 . 1 1 47 47 LEU CB C 38 41.464 41.464 41.703 -0.239 18220 195 1 . 1 1 47 47 LEU H H 38 7.965 7.965 8.122 -0.157 18220 196 1 . 1 1 48 48 ALA N N 39 122.249 122.249 120.230 2.019 18220 197 1 . 1 1 48 48 ALA HA H 39 4.142 4.142 4.002 0.141 18220 198 1 . 1 1 48 48 ALA C C 39 177.915 177.915 179.704 -1.789 18220 199 1 . 1 1 48 48 ALA CA C 39 53.717 53.717 55.319 -1.602 18220 200 1 . 1 1 48 48 ALA CB C 39 17.985 17.985 18.081 -0.095 18220 201 1 . 1 1 48 48 ALA H H 39 8.066 8.066 8.328 -0.262 18220 202 1 . 1 1 49 49 GLY N N 40 107.377 107.377 107.352 0.025 18220 203 1 . 1 1 49 49 GLY C C 40 172.527 172.527 175.867 -3.340 18220 204 1 . 1 1 49 49 GLY CA C 40 45.450 45.450 47.113 -1.663 18220 205 1 . 1 1 49 49 GLY H H 40 8.172 8.172 8.235 -0.063 18220 206 1 . 1 1 50 50 TYR N N 41 122.409 122.409 123.578 -1.169 18220 207 1 . 1 1 50 50 TYR HA H 41 3.799 3.799 4.030 -0.231 18220 208 1 . 1 1 50 50 TYR C C 41 174.208 174.208 178.365 -4.157 18220 209 1 . 1 1 50 50 TYR CA C 41 59.245 59.245 61.259 -2.014 18220 210 1 . 1 1 50 50 TYR CB C 41 37.936 37.936 38.123 -0.187 18220 211 1 . 1 1 50 50 TYR H H 41 7.800 7.800 8.377 -0.577 18220 212 1 . 1 1 51 51 GLY N N 42 106.935 106.935 105.901 1.034 18220 213 1 . 1 1 51 51 GLY C C 42 172.642 172.642 175.711 -3.069 18220 214 1 . 1 1 51 51 GLY CA C 42 46.265 46.265 46.967 -0.702 18220 215 1 . 1 1 51 51 GLY H H 42 8.199 8.199 8.256 -0.057 18220 216 1 . 1 1 52 52 ALA N N 43 123.018 123.018 124.868 -1.850 18220 217 1 . 1 1 52 52 ALA HA H 43 4.150 4.150 4.069 0.081 18220 218 1 . 1 1 52 52 ALA C C 43 176.398 176.398 179.161 -2.763 18220 219 1 . 1 1 52 52 ALA CA C 43 52.883 52.883 54.550 -1.667 18220 220 1 . 1 1 52 52 ALA CB C 43 18.241 18.241 18.411 -0.170 18220 221 1 . 1 1 52 52 ALA H H 43 7.758 7.758 8.263 -0.505 18220 222 1 . 1 1 53 53 TYR N N 44 119.664 119.664 118.459 1.205 18220 223 1 . 1 1 53 53 TYR HA H 44 4.318 4.318 4.315 0.003 18220 224 1 . 1 1 53 53 TYR C C 44 174.180 174.180 177.482 -3.302 18220 225 1 . 1 1 53 53 TYR CA C 44 58.593 58.593 60.558 -1.965 18220 226 1 . 1 1 53 53 TYR CB C 44 38.192 38.192 38.632 -0.440 18220 227 1 . 1 1 53 53 TYR H H 44 7.920 7.920 8.028 -0.108 18220 228 1 . 1 1 54 54 ARG N N 45 119.516 119.516 118.772 0.744 18220 229 1 . 1 1 54 54 ARG HA H 45 3.930 3.930 4.071 -0.142 18220 230 1 . 1 1 54 54 ARG C C 45 174.423 174.423 177.274 -2.851 18220 231 1 . 1 1 54 54 ARG CA C 45 56.027 56.027 58.086 -2.059 18220 232 1 . 1 1 54 54 ARG CB C 45 30.173 30.173 31.027 -0.854 18220 233 1 . 1 1 54 54 ARG H H 45 7.956 7.956 7.966 -0.010 18220 234 1 . 1 1 55 55 VAL N N 46 116.437 116.437 117.334 -0.897 18220 235 1 . 1 1 55 55 VAL HA H 46 4.060 4.060 3.990 0.070 18220 236 1 . 1 1 55 55 VAL C C 46 173.806 173.806 175.326 -1.520 18220 237 1 . 1 1 55 55 VAL CA C 46 62.300 62.300 63.037 -0.737 18220 238 1 . 1 1 55 55 VAL CB C 46 31.521 31.521 31.350 0.171 18220 239 1 . 1 1 55 55 VAL H H 46 7.489 7.489 8.109 -0.620 18220 240 1 . 1 1 56 56 SER N N 47 117.185 117.185 116.439 0.746 18220 241 1 . 1 1 56 56 SER HA H 47 4.401 4.401 4.338 0.063 18220 242 1 . 1 1 56 56 SER C C 47 172.074 172.074 173.731 -1.657 18220 243 1 . 1 1 56 56 SER CA C 47 58.133 58.133 58.943 -0.810 18220 244 1 . 1 1 56 56 SER CB C 47 63.468 63.468 63.623 -0.155 18220 245 1 . 1 1 56 56 SER H H 47 7.728 7.728 8.072 -0.344 18220 246 1 . 1 1 57 57 ASN N N 48 121.049 121.049 120.174 0.875 18220 247 1 . 1 1 57 57 ASN HA H 48 4.590 4.590 4.666 -0.076 18220 248 1 . 1 1 57 57 ASN CA C 48 53.600 53.600 53.664 -0.064 18220 249 1 . 1 1 57 57 ASN CB C 48 38.641 38.641 39.205 -0.564 18220 250 1 . 1 1 57 57 ASN H H 48 8.228 8.228 8.451 -0.223 18220 251 1 . 1 1 58 58 ASP N N 49 120.276 120.276 120.037 0.238 18220 252 1 . 1 1 58 58 ASP HA H 49 4.530 4.530 4.511 0.019 18220 253 1 . 1 1 58 58 ASP CA C 49 54.202 54.202 54.821 -0.619 18220 254 1 . 1 1 58 58 ASP CB C 49 40.374 40.374 41.110 -0.736 18220 255 1 . 1 1 58 58 ASP H H 49 8.192 8.192 8.299 -0.106 18220 256 1 . 1 1 59 59 LYS N N 50 120.660 120.660 119.838 0.822 18220 257 1 . 1 1 59 59 LYS HA H 50 4.200 4.200 4.234 -0.034 18220 258 1 . 1 1 59 59 LYS C C 50 173.474 173.474 175.309 -1.835 18220 259 1 . 1 1 59 59 LYS CA C 50 56.300 56.300 56.689 -0.389 18220 260 1 . 1 1 59 59 LYS CB C 50 32.034 32.034 33.382 -1.348 18220 261 1 . 1 1 59 59 LYS H H 50 8.003 8.003 8.098 -0.095 18220 262 1 . 1 1 60 60 ARG N N 51 121.278 121.278 119.985 1.293 18220 263 1 . 1 1 60 60 ARG HA H 51 4.200 4.200 4.412 -0.212 18220 264 1 . 1 1 60 60 ARG C C 51 173.303 173.303 174.726 -1.423 18220 265 1 . 1 1 60 60 ARG CA C 51 56.283 56.283 56.395 -0.112 18220 266 1 . 1 1 60 60 ARG CB C 51 30.238 30.238 31.404 -1.166 18220 267 1 . 1 1 60 60 ARG H H 51 8.091 8.091 8.393 -0.302 18220 268 1 . 1 1 61 61 ASP N N 52 121.185 121.185 121.228 -0.043 18220 269 1 . 1 1 61 61 ASP HA H 52 4.615 4.615 4.658 -0.043 18220 270 1 . 1 1 61 61 ASP C C 52 173.777 173.777 175.849 -2.072 18220 271 1 . 1 1 61 61 ASP CA C 52 53.979 53.979 54.542 -0.563 18220 272 1 . 1 1 61 61 ASP CB C 52 40.245 40.245 41.399 -1.154 18220 273 1 . 1 1 61 61 ASP H H 52 8.261 8.261 8.323 -0.062 18220 274 1 . 1 1 62 62 VAL N N 53 121.902 121.902 119.847 2.055 18220 275 1 . 1 1 62 62 VAL HA H 53 3.950 3.950 3.905 0.044 18220 276 1 . 1 1 62 62 VAL C C 53 173.279 173.279 176.411 -3.132 18220 277 1 . 1 1 62 62 VAL CA C 53 63.176 63.176 64.091 -0.915 18220 278 1 . 1 1 62 62 VAL CB C 53 32.099 32.099 31.692 0.407 18220 279 1 . 1 1 62 62 VAL H H 53 7.997 7.997 8.179 -0.182 18220 280 1 . 1 1 63 63 LYS N N 54 123.522 123.522 121.393 2.129 18220 281 1 . 1 1 63 63 LYS HA H 54 4.260 4.260 4.127 0.133 18220 282 1 . 1 1 63 63 LYS C C 54 174.481 174.481 178.312 -3.831 18220 283 1 . 1 1 63 63 LYS CA C 54 56.347 56.347 59.300 -2.953 18220 284 1 . 1 1 63 63 LYS CB C 54 32.099 32.099 32.270 -0.171 18220 285 1 . 1 1 63 63 LYS H H 54 8.054 8.054 8.173 -0.119 18220 286 1 . 1 1 64 64 VAL N N 55 120.647 120.647 118.611 2.036 18220 287 1 . 1 1 64 64 VAL HA H 55 3.947 3.947 3.648 0.299 18220 288 1 . 1 1 64 64 VAL C C 55 174.955 174.955 177.954 -2.999 18220 289 1 . 1 1 64 64 VAL CA C 55 64.600 64.600 66.177 -1.578 18220 290 1 . 1 1 64 64 VAL CB C 55 31.877 31.877 31.122 0.755 18220 291 1 . 1 1 64 64 VAL H H 55 8.225 8.225 8.096 0.129 18220 292 1 . 1 1 65 65 SER N N 56 117.785 117.785 114.835 2.949 18220 293 1 . 1 1 65 65 SER HA H 56 4.390 4.390 4.172 0.218 18220 294 1 . 1 1 65 65 SER C C 56 172.300 172.300 176.764 -4.464 18220 295 1 . 1 1 65 65 SER CA C 56 60.000 60.000 62.045 -2.045 18220 296 1 . 1 1 65 65 SER CB C 56 62.879 62.879 62.752 0.127 18220 297 1 . 1 1 65 65 SER H H 56 8.260 8.260 8.113 0.147 18220 298 1 . 1 1 66 66 LEU N N 57 123.318 123.318 122.087 1.231 18220 299 1 . 1 1 66 66 LEU HA H 57 4.090 4.090 4.088 0.002 18220 300 1 . 1 1 66 66 LEU C C 57 175.932 175.932 178.696 -2.764 18220 301 1 . 1 1 66 66 LEU CA C 57 57.502 57.502 58.050 -0.548 18220 302 1 . 1 1 66 66 LEU CB C 57 41.721 41.721 41.793 -0.072 18220 303 1 . 1 1 66 66 LEU H H 57 8.091 8.091 7.789 0.302 18220 304 1 . 1 1 67 67 PHE N N 58 118.020 118.020 118.426 -0.406 18220 305 1 . 1 1 67 67 PHE HA H 58 4.330 4.330 4.391 -0.061 18220 306 1 . 1 1 67 67 PHE C C 58 174.912 174.912 177.831 -2.919 18220 307 1 . 1 1 67 67 PHE CA C 58 60.600 60.600 61.604 -1.004 18220 308 1 . 1 1 67 67 PHE CB C 58 38.552 38.552 38.841 -0.289 18220 309 1 . 1 1 67 67 PHE H H 58 8.066 8.066 8.460 -0.394 18220 310 1 . 1 1 68 68 THR N N 59 115.324 115.324 117.537 -2.213 18220 311 1 . 1 1 68 68 THR HA H 59 4.310 4.310 4.109 0.201 18220 312 1 . 1 1 68 68 THR C C 59 173.380 173.380 176.380 -3.000 18220 313 1 . 1 1 68 68 THR CA C 59 66.313 66.313 67.421 -1.108 18220 314 1 . 1 1 68 68 THR CB C 59 67.700 67.700 68.736 -1.036 18220 315 1 . 1 1 68 68 THR H H 59 8.287 8.287 8.330 -0.043 18220 316 1 . 1 1 69 69 ALA N N 60 123.621 123.621 124.548 -0.927 18220 317 1 . 1 1 69 69 ALA HA H 60 4.280 4.280 4.199 0.081 18220 318 1 . 1 1 69 69 ALA C C 60 176.978 176.978 179.250 -2.272 18220 319 1 . 1 1 69 69 ALA CA C 60 55.100 55.100 55.124 -0.024 18220 320 1 . 1 1 69 69 ALA CB C 60 17.728 17.728 18.155 -0.427 18220 321 1 . 1 1 69 69 ALA H H 60 7.983 7.983 8.453 -0.470 18220 322 1 . 1 1 70 70 PHE N N 61 118.520 118.520 120.082 -1.562 18220 323 1 . 1 1 70 70 PHE HA H 61 4.260 4.260 4.113 0.147 18220 324 1 . 1 1 70 70 PHE C C 61 175.369 175.369 177.130 -1.761 18220 325 1 . 1 1 70 70 PHE CA C 61 60.179 60.179 61.760 -1.581 18220 326 1 . 1 1 70 70 PHE CB C 61 38.706 38.706 39.113 -0.407 18220 327 1 . 1 1 70 70 PHE H H 61 8.007 8.007 8.357 -0.350 18220 328 1 . 1 1 71 71 PHE N N 62 122.314 122.314 119.312 3.002 18220 329 1 . 1 1 71 71 PHE HA H 62 4.000 4.000 4.083 -0.083 18220 330 1 . 1 1 71 71 PHE C C 62 174.697 174.697 177.494 -2.797 18220 331 1 . 1 1 71 71 PHE CA C 62 60.517 60.517 61.572 -1.055 18220 332 1 . 1 1 71 71 PHE CB C 62 38.770 38.770 38.996 -0.226 18220 333 1 . 1 1 71 71 PHE H H 62 8.546 8.546 8.250 0.296 18220 334 1 . 1 1 72 72 LEU N N 63 119.399 119.399 120.765 -1.366 18220 335 1 . 1 1 72 72 LEU HA H 63 3.870 3.870 3.787 0.083 18220 336 1 . 1 1 72 72 LEU C C 63 175.774 175.774 178.610 -2.836 18220 337 1 . 1 1 72 72 LEU CA C 63 56.925 56.925 58.334 -1.409 18220 338 1 . 1 1 72 72 LEU CB C 63 41.207 41.207 41.459 -0.252 18220 339 1 . 1 1 72 72 LEU H H 63 8.396 8.396 8.362 0.034 18220 340 1 . 1 1 73 73 ALA N N 64 120.221 120.221 120.311 -0.090 18220 341 1 . 1 1 73 73 ALA HA H 64 3.960 3.960 3.796 0.164 18220 342 1 . 1 1 73 73 ALA C C 64 177.267 177.267 179.457 -2.190 18220 343 1 . 1 1 73 73 ALA CA C 64 54.600 54.600 55.314 -0.714 18220 344 1 . 1 1 73 73 ALA CB C 64 17.784 17.784 17.940 -0.156 18220 345 1 . 1 1 73 73 ALA H H 64 8.025 8.025 8.328 -0.303 18220 346 1 . 1 1 74 74 THR N N 65 113.648 113.648 113.959 -0.311 18220 347 1 . 1 1 74 74 THR HA H 65 3.980 3.980 3.871 0.109 18220 348 1 . 1 1 74 74 THR CA C 65 66.291 66.291 66.406 -0.115 18220 349 1 . 1 1 74 74 THR CB C 65 67.914 67.914 68.460 -0.546 18220 350 1 . 1 1 74 74 THR H H 65 7.717 7.717 7.907 -0.190 18220 351 1 . 1 1 75 75 ILE N N 66 120.291 120.291 119.407 0.884 18220 352 1 . 1 1 75 75 ILE HA H 66 3.740 3.740 3.736 0.004 18220 353 1 . 1 1 75 75 ILE C C 66 174.951 174.951 176.976 -2.025 18220 354 1 . 1 1 75 75 ILE CA C 66 64.880 64.880 63.080 1.800 18220 355 1 . 1 1 75 75 ILE CB C 66 37.166 37.166 37.761 -0.596 18220 356 1 . 1 1 75 75 ILE H H 66 7.738 7.738 7.752 -0.014 18220 357 1 . 1 1 76 76 MET N N 67 117.618 117.618 117.740 -0.122 18220 358 1 . 1 1 76 76 MET HA H 67 4.220 4.220 4.309 -0.089 18220 359 1 . 1 1 76 76 MET C C 67 175.142 175.142 177.123 -1.981 18220 360 1 . 1 1 76 76 MET CA C 67 56.723 56.723 57.354 -0.631 18220 361 1 . 1 1 76 76 MET CB C 67 31.951 31.951 33.867 -1.916 18220 362 1 . 1 1 76 76 MET H H 67 7.823 7.823 7.949 -0.126 18220 363 1 . 1 1 77 77 GLY N N 68 107.110 107.110 106.409 0.701 18220 364 1 . 1 1 77 77 GLY C C 68 172.260 172.260 173.278 -1.018 18220 365 1 . 1 1 77 77 GLY CA C 68 45.800 45.800 45.080 0.720 18220 366 1 . 1 1 77 77 GLY H H 68 7.937 7.937 8.335 -0.398 18220 367 1 . 1 1 78 78 VAL N N 69 120.431 120.431 119.683 0.748 18220 368 1 . 1 1 78 78 VAL HA H 69 4.220 4.220 4.238 -0.018 18220 369 1 . 1 1 78 78 VAL CA C 69 63.900 63.900 61.384 2.517 18220 370 1 . 1 1 78 78 VAL CB C 69 31.506 31.506 32.907 -1.401 18220 371 1 . 1 1 78 78 VAL H H 69 7.697 7.697 7.927 -0.230 18220 372 1 . 1 1 79 79 ARG N N 70 121.420 121.420 123.582 -2.162 18220 373 1 . 1 1 79 79 ARG HA H 70 3.810 3.810 4.319 -0.509 18220 374 1 . 1 1 79 79 ARG CA C 70 56.400 56.400 56.552 -0.152 18220 375 1 . 1 1 79 79 ARG CB C 70 30.097 30.097 30.413 -0.316 18220 376 1 . 1 1 79 79 ARG H H 70 7.889 7.889 8.280 -0.391 18220 377 1 . 1 1 80 80 PHE N N 71 119.949 119.949 119.864 0.084 18220 378 1 . 1 1 80 80 PHE HA H 71 4.510 4.510 4.405 0.105 18220 379 1 . 1 1 80 80 PHE CA C 71 58.600 58.600 58.284 0.316 18220 380 1 . 1 1 80 80 PHE CB C 71 39.145 39.145 39.110 0.035 18220 381 1 . 1 1 80 80 PHE H H 71 8.101 8.101 8.182 -0.081 18220 382 1 . 1 1 81 81 LYS N N 72 122.193 122.193 121.072 1.121 18220 383 1 . 1 1 81 81 LYS CA C 72 56.800 56.800 56.211 0.589 18220 384 1 . 1 1 81 81 LYS CB C 72 32.322 32.322 33.293 -0.971 18220 385 1 . 1 1 81 81 LYS H H 72 8.090 8.090 8.048 0.042 18220 386 1 . 1 1 82 82 ARG N N 73 119.650 119.650 120.899 -1.249 18220 387 1 . 1 1 82 82 ARG CA C 73 56.089 56.089 56.557 -0.468 18220 388 1 . 1 1 82 82 ARG CB C 73 30.171 30.171 30.493 -0.322 18220 389 1 . 1 1 82 82 ARG H H 73 8.052 8.052 8.452 -0.400 18220 390 1 . 1 1 83 83 SER N N 74 115.734 115.734 116.693 -0.959 18220 391 1 . 1 1 83 83 SER CA C 74 58.355 58.355 58.159 0.196 18220 392 1 . 1 1 83 83 SER CB C 74 63.404 63.404 64.387 -0.983 18220 393 1 . 1 1 83 83 SER H H 74 7.912 7.912 8.210 -0.298 18220 394 1 . 1 1 84 84 LYS N N 75 122.370 122.370 121.877 0.493 18220 395 1 . 1 1 84 84 LYS CA C 75 56.135 56.135 56.572 -0.437 18220 396 1 . 1 1 84 84 LYS CB C 75 32.175 32.175 32.911 -0.736 18220 397 1 . 1 1 84 84 LYS H H 75 8.067 8.067 8.377 -0.310 18220 398 1 . 1 1 86 86 ILE N N 77 119.592 119.592 119.751 -0.159 18220 399 1 . 1 1 86 86 ILE HA H 77 3.810 3.810 4.023 -0.213 18220 400 1 . 1 1 86 86 ILE CA C 77 64.900 64.900 61.810 3.090 18220 401 1 . 1 1 86 86 ILE CB C 77 39.145 39.145 37.582 1.563 18220 402 1 . 1 1 86 86 ILE H H 77 7.837 7.837 8.217 -0.380 18220 403 1 . 1 1 87 87 MET N N 78 121.645 121.645 121.117 0.528 18220 404 1 . 1 1 87 87 MET CA C 78 52.982 52.982 56.295 -3.313 18220 405 1 . 1 1 87 87 MET CB C 78 32.173 32.173 32.494 -0.321 18220 406 1 . 1 1 87 87 MET H H 78 7.950 7.950 8.213 -0.263 18220 407 1 . 1 1 88 88 PRO HA H 79 4.140 4.140 4.461 -0.321 18220 408 1 . 1 1 88 88 PRO C C 79 173.921 173.921 177.265 -3.344 18220 409 1 . 1 1 88 88 PRO CA C 79 62.800 62.800 64.151 -1.351 18220 410 1 . 1 1 88 88 PRO CB C 79 31.136 31.136 31.069 0.066 18220 411 1 . 1 1 89 89 ALA N N 80 124.431 124.431 123.107 1.324 18220 412 1 . 1 1 89 89 ALA HA H 80 4.400 4.400 4.049 0.351 18220 413 1 . 1 1 89 89 ALA C C 80 176.234 176.234 179.564 -3.330 18220 414 1 . 1 1 89 89 ALA CA C 80 53.300 53.300 54.973 -1.673 18220 415 1 . 1 1 89 89 ALA CB C 80 18.498 18.498 18.398 0.100 18220 416 1 . 1 1 89 89 ALA H H 80 8.320 8.320 8.352 -0.032 18220 417 1 . 1 1 90 90 GLY N N 81 106.834 106.834 107.358 -0.524 18220 418 1 . 1 1 90 90 GLY C C 81 172.398 172.398 176.124 -3.726 18220 419 1 . 1 1 90 90 GLY CA C 81 45.600 45.600 47.225 -1.625 18220 420 1 . 1 1 90 90 GLY H H 81 8.458 8.458 8.404 0.054 18220 421 1 . 1 1 91 91 LEU N N 82 121.043 121.043 122.116 -1.073 18220 422 1 . 1 1 91 91 LEU HA H 82 4.200 4.200 3.983 0.217 18220 423 1 . 1 1 91 91 LEU C C 82 174.783 174.783 178.783 -4.000 18220 424 1 . 1 1 91 91 LEU CA C 82 56.300 56.300 57.806 -1.506 18220 425 1 . 1 1 91 91 LEU CB C 82 42.106 42.106 41.779 0.327 18220 426 1 . 1 1 91 91 LEU H H 82 7.687 7.687 7.689 -0.002 18220 427 1 . 1 1 92 92 VAL N N 83 114.737 114.737 118.274 -3.537 18220 428 1 . 1 1 92 92 VAL HA H 83 3.980 3.980 3.561 0.419 18220 429 1 . 1 1 92 92 VAL C C 83 173.634 173.634 177.846 -4.212 18220 430 1 . 1 1 92 92 VAL CA C 83 62.400 62.400 66.151 -3.751 18220 431 1 . 1 1 92 92 VAL CB C 83 31.585 31.585 30.898 0.687 18220 432 1 . 1 1 92 92 VAL H H 83 7.602 7.602 7.809 -0.206 18220 433 1 . 1 1 93 93 ALA N N 84 124.320 124.320 121.682 2.638 18220 434 1 . 1 1 93 93 ALA HA H 84 4.150 4.150 4.130 0.020 18220 435 1 . 1 1 93 93 ALA C C 84 175.746 175.746 179.804 -4.058 18220 436 1 . 1 1 93 93 ALA CA C 84 53.300 53.300 55.218 -1.918 18220 437 1 . 1 1 93 93 ALA CB C 84 18.241 18.241 18.045 0.195 18220 438 1 . 1 1 93 93 ALA H H 84 7.891 7.891 8.202 -0.311 18220 439 1 . 1 1 94 94 GLY N N 85 106.807 106.807 108.272 -1.465 18220 440 1 . 1 1 94 94 GLY C C 85 171.752 171.752 175.913 -4.161 18220 441 1 . 1 1 94 94 GLY CA C 85 45.249 45.249 46.819 -1.570 18220 442 1 . 1 1 94 94 GLY H H 85 8.204 8.204 8.147 0.057 18220 443 1 . 1 1 95 95 LEU N N 86 121.266 121.266 122.620 -1.354 18220 444 1 . 1 1 95 95 LEU HA H 86 4.380 4.380 3.995 0.385 18220 445 1 . 1 1 95 95 LEU C C 86 173.702 173.702 178.993 -5.291 18220 446 1 . 1 1 95 95 LEU CA C 86 55.000 55.000 57.841 -2.841 18220 447 1 . 1 1 95 95 LEU CB C 86 42.298 42.298 41.426 0.872 18220 448 1 . 1 1 95 95 LEU H H 86 7.718 7.718 8.342 -0.624 18220 449 1 . 1 1 96 96 SER N N 87 115.658 115.658 114.953 0.705 18220 450 1 . 1 1 96 96 SER HA H 87 4.370 4.370 4.138 0.232 18220 451 1 . 1 1 96 96 SER C C 87 172.479 172.479 176.657 -4.178 18220 452 1 . 1 1 96 96 SER CA C 87 57.200 57.200 61.952 -4.752 18220 453 1 . 1 1 96 96 SER CB C 87 64.174 64.174 63.032 1.142 18220 454 1 . 1 1 96 96 SER H H 87 7.659 7.659 8.070 -0.411 18220 455 1 . 1 1 97 97 LEU N N 88 123.720 123.720 122.592 1.128 18220 456 1 . 1 1 97 97 LEU HA H 88 4.600 4.600 3.927 0.673 18220 457 1 . 1 1 97 97 LEU C C 88 175.932 175.932 178.844 -2.912 18220 458 1 . 1 1 97 97 LEU CA C 88 57.600 57.600 58.170 -0.570 18220 459 1 . 1 1 97 97 LEU CB C 88 41.400 41.400 41.707 -0.307 18220 460 1 . 1 1 97 97 LEU H H 88 8.733 8.733 8.078 0.655 18220 461 1 . 1 1 98 98 MET N N 89 116.684 116.684 118.017 -1.333 18220 462 1 . 1 1 98 98 MET HA H 89 4.280 4.280 3.980 0.300 18220 463 1 . 1 1 98 98 MET C C 89 175.789 175.789 178.575 -2.786 18220 464 1 . 1 1 98 98 MET CA C 89 56.915 56.915 58.980 -2.065 18220 465 1 . 1 1 98 98 MET CB C 89 31.007 31.007 32.342 -1.335 18220 466 1 . 1 1 98 98 MET H H 89 8.342 8.342 8.216 0.126 18220 467 1 . 1 1 99 99 MET N N 90 119.182 119.182 119.474 -0.292 18220 468 1 . 1 1 99 99 MET HA H 90 4.110 4.110 4.008 0.102 18220 469 1 . 1 1 99 99 MET C C 90 175.588 175.588 178.617 -3.029 18220 470 1 . 1 1 99 99 MET CA C 90 57.951 57.951 59.407 -1.456 18220 471 1 . 1 1 99 99 MET CB C 90 32.226 32.226 32.412 -0.186 18220 472 1 . 1 1 99 99 MET H H 90 7.720 7.720 8.015 -0.295 18220 473 1 . 1 1 100 100 ILE N N 91 119.077 119.077 119.388 -0.311 18220 474 1 . 1 1 100 100 ILE HA H 91 4.110 4.110 3.631 0.479 18220 475 1 . 1 1 100 100 ILE C C 91 174.634 174.634 178.166 -3.532 18220 476 1 . 1 1 100 100 ILE CA C 91 64.100 64.100 64.977 -0.877 18220 477 1 . 1 1 100 100 ILE CB C 91 37.143 37.143 37.285 -0.142 18220 478 1 . 1 1 100 100 ILE H H 91 7.662 7.662 8.199 -0.537 18220 479 1 . 1 1 101 101 LEU N N 92 119.646 119.646 119.490 0.156 18220 480 1 . 1 1 101 101 LEU HA H 92 4.530 4.530 3.938 0.592 18220 481 1 . 1 1 101 101 LEU C C 92 175.430 175.430 179.203 -3.773 18220 482 1 . 1 1 101 101 LEU CA C 92 57.800 57.800 58.191 -0.391 18220 483 1 . 1 1 101 101 LEU CB C 92 40.758 40.758 41.349 -0.591 18220 484 1 . 1 1 101 101 LEU H H 92 8.142 8.142 8.177 -0.035 18220 485 1 . 1 1 102 102 ARG N N 93 116.394 116.394 118.848 -2.454 18220 486 1 . 1 1 102 102 ARG HA H 93 4.140 4.140 4.069 0.071 18220 487 1 . 1 1 102 102 ARG C C 93 175.961 175.961 178.552 -2.591 18220 488 1 . 1 1 102 102 ARG CA C 93 59.100 59.100 58.826 0.274 18220 489 1 . 1 1 102 102 ARG CB C 93 29.404 29.404 29.837 -0.433 18220 490 1 . 1 1 102 102 ARG H H 93 7.893 7.893 8.099 -0.206 18220 491 1 . 1 1 103 103 LEU N N 94 119.114 119.114 120.715 -1.601 18220 492 1 . 1 1 103 103 LEU HA H 94 4.110 4.110 4.020 0.090 18220 493 1 . 1 1 103 103 LEU C C 94 175.889 175.889 178.826 -2.937 18220 494 1 . 1 1 103 103 LEU CA C 94 57.300 57.300 58.289 -0.989 18220 495 1 . 1 1 103 103 LEU CB C 94 41.296 41.296 41.702 -0.406 18220 496 1 . 1 1 103 103 LEU H H 94 7.622 7.622 8.039 -0.417 18220 497 1 . 1 1 104 104 VAL N N 95 117.704 117.704 117.710 -0.006 18220 498 1 . 1 1 104 104 VAL HA H 95 3.530 3.530 3.745 -0.215 18220 499 1 . 1 1 104 104 VAL C C 95 175.042 175.042 177.977 -2.935 18220 500 1 . 1 1 104 104 VAL CA C 95 66.419 66.419 65.730 0.689 18220 501 1 . 1 1 104 104 VAL CB C 95 31.357 31.357 31.665 -0.308 18220 502 1 . 1 1 104 104 VAL H H 95 8.026 8.026 7.440 0.586 18220 503 1 . 1 1 105 105 LEU N N 96 117.185 117.185 120.940 -3.755 18220 504 1 . 1 1 105 105 LEU HA H 96 3.980 3.980 3.941 0.039 18220 505 1 . 1 1 105 105 LEU C C 96 176.579 176.579 178.832 -2.253 18220 506 1 . 1 1 105 105 LEU CA C 96 56.800 56.800 57.985 -1.185 18220 507 1 . 1 1 105 105 LEU CB C 96 40.951 40.951 41.368 -0.418 18220 508 1 . 1 1 105 105 LEU H H 96 7.893 7.893 7.747 0.146 18220 509 1 . 1 1 106 106 LEU N N 97 118.471 118.471 119.438 -0.967 18220 510 1 . 1 1 106 106 LEU HA H 97 4.180 4.180 3.934 0.246 18220 511 1 . 1 1 106 106 LEU C C 97 175.802 175.802 178.620 -2.818 18220 512 1 . 1 1 106 106 LEU CA C 97 56.300 56.300 57.698 -1.398 18220 513 1 . 1 1 106 106 LEU CB C 97 41.592 41.592 41.802 -0.210 18220 514 1 . 1 1 106 106 LEU H H 97 7.545 7.545 8.017 -0.472 18220 515 1 . 1 1 107 107 LEU N N 98 118.162 118.162 118.746 -0.584 18220 516 1 . 1 1 107 107 LEU HA H 98 4.230 4.230 4.102 0.128 18220 517 1 . 1 1 107 107 LEU C C 98 174.174 174.174 177.930 -3.756 18220 518 1 . 1 1 107 107 LEU CA C 98 56.283 56.283 56.702 -0.419 18220 519 1 . 1 1 107 107 LEU CB C 98 42.362 42.362 42.405 -0.043 18220 520 1 . 1 1 107 107 LEU H H 98 7.688 7.688 7.894 -0.206 18220 stop_ save_