data_19002 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19002 _Entry.PDB_ID 2M4G 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 19002 _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 12 12 ARG N N 12 121.400 121.400 121.983 -0.583 19002 2 1 1 . 1 1 12 12 ARG HA H 12 4.640 4.640 4.624 0.016 19002 3 1 1 . 1 1 12 12 ARG C C 12 174.242 174.242 173.845 0.397 19002 4 1 1 . 1 1 12 12 ARG CA C 12 53.900 53.900 54.155 -0.255 19002 5 1 1 . 1 1 12 12 ARG CB C 12 30.400 30.400 31.030 -0.630 19002 6 1 1 . 1 1 12 12 ARG H H 12 8.140 8.140 8.380 -0.240 19002 7 1 1 . 1 1 13 13 PRO HA H 13 4.457 4.457 4.541 -0.084 19002 8 1 1 . 1 1 13 13 PRO C C 13 177.524 177.524 176.213 1.311 19002 9 1 1 . 1 1 13 13 PRO CA C 13 63.259 63.259 62.678 0.581 19002 10 1 1 . 1 1 13 13 PRO CB C 13 32.067 32.067 30.239 1.828 19002 11 1 1 . 1 1 14 14 GLY N N 14 109.192 109.192 110.058 -0.866 19002 12 1 1 . 1 1 14 14 GLY C C 14 174.227 174.227 175.071 -0.844 19002 13 1 1 . 1 1 14 14 GLY CA C 14 45.497 45.497 44.570 0.927 19002 14 1 1 . 1 1 14 14 GLY H H 14 8.467 8.467 8.059 0.408 19002 15 1 1 . 1 1 15 15 VAL N N 15 119.157 119.157 122.152 -2.995 19002 16 1 1 . 1 1 15 15 VAL HA H 15 4.081 4.081 3.940 0.141 19002 17 1 1 . 1 1 15 15 VAL C C 15 175.986 175.986 175.634 0.352 19002 18 1 1 . 1 1 15 15 VAL CA C 15 62.529 62.529 64.323 -1.794 19002 19 1 1 . 1 1 15 15 VAL CB C 15 32.491 32.491 32.241 0.250 19002 20 1 1 . 1 1 15 15 VAL H H 15 7.837 7.837 8.038 -0.201 19002 21 1 1 . 1 1 16 16 PHE N N 16 123.110 123.110 119.581 3.529 19002 22 1 1 . 1 1 16 16 PHE HA H 16 4.614 4.614 4.669 -0.055 19002 23 1 1 . 1 1 16 16 PHE C C 16 175.804 175.804 174.185 1.619 19002 24 1 1 . 1 1 16 16 PHE CA C 16 58.398 58.398 57.224 1.174 19002 25 1 1 . 1 1 16 16 PHE CB C 16 39.475 39.475 40.859 -1.384 19002 26 1 1 . 1 1 16 16 PHE H H 16 8.265 8.265 7.767 0.498 19002 27 1 1 . 1 1 17 17 ARG N N 17 122.074 122.074 125.542 -3.468 19002 28 1 1 . 1 1 17 17 ARG HA H 17 4.323 4.323 4.461 -0.138 19002 29 1 1 . 1 1 17 17 ARG C C 17 176.452 176.452 174.927 1.525 19002 30 1 1 . 1 1 17 17 ARG CA C 17 56.710 56.710 55.039 1.671 19002 31 1 1 . 1 1 17 17 ARG CB C 17 30.937 30.937 31.298 -0.361 19002 32 1 1 . 1 1 17 17 ARG H H 17 8.155 8.155 8.153 0.002 19002 33 1 1 . 1 1 18 18 THR N N 18 114.223 114.223 109.137 5.086 19002 34 1 1 . 1 1 18 18 THR HA H 18 4.231 4.231 4.119 0.112 19002 35 1 1 . 1 1 18 18 THR C C 18 174.348 174.348 175.243 -0.895 19002 36 1 1 . 1 1 18 18 THR CA C 18 62.410 62.410 61.967 0.443 19002 37 1 1 . 1 1 18 18 THR CB C 18 69.509 69.509 71.341 -1.832 19002 38 1 1 . 1 1 18 18 THR H H 18 8.015 8.015 7.752 0.263 19002 39 1 1 . 1 1 19 19 ARG N N 19 120.957 120.957 123.239 -2.282 19002 40 1 1 . 1 1 19 19 ARG HA H 19 4.323 4.323 3.972 0.351 19002 41 1 1 . 1 1 19 19 ARG C C 19 175.986 175.986 175.209 0.777 19002 42 1 1 . 1 1 19 19 ARG CA C 19 56.093 56.093 57.948 -1.855 19002 43 1 1 . 1 1 19 19 ARG CB C 19 30.480 30.480 29.380 1.100 19002 44 1 1 . 1 1 19 19 ARG H H 19 8.080 8.080 8.427 -0.347 19002 45 1 1 . 1 1 20 20 GLY N N 20 107.963 107.963 107.042 0.921 19002 46 1 1 . 1 1 20 20 GLY C C 20 173.802 173.802 172.841 0.961 19002 47 1 1 . 1 1 20 20 GLY CA C 20 45.273 45.273 44.831 0.442 19002 48 1 1 . 1 1 20 20 GLY H H 20 8.241 8.241 8.120 0.121 19002 49 1 1 . 1 1 21 21 LEU N N 21 121.181 121.181 122.595 -1.414 19002 50 1 1 . 1 1 21 21 LEU HA H 21 4.770 4.770 4.615 0.155 19002 51 1 1 . 1 1 21 21 LEU C C 21 178.414 178.414 176.903 1.511 19002 52 1 1 . 1 1 21 21 LEU CA C 21 54.677 54.677 54.301 0.376 19002 53 1 1 . 1 1 21 21 LEU CB C 21 43.142 43.142 43.118 0.024 19002 54 1 1 . 1 1 21 21 LEU H H 21 7.967 7.967 7.996 -0.029 19002 55 1 1 . 1 1 22 22 THR N N 22 114.494 114.494 117.281 -2.787 19002 56 1 1 . 1 1 22 22 THR HA H 22 4.558 4.558 4.416 0.142 19002 57 1 1 . 1 1 22 22 THR C C 22 175.359 175.359 175.219 0.140 19002 58 1 1 . 1 1 22 22 THR CA C 22 61.316 61.316 60.629 0.688 19002 59 1 1 . 1 1 22 22 THR CB C 22 71.015 71.015 70.361 0.654 19002 60 1 1 . 1 1 22 22 THR H H 22 9.075 9.075 8.167 0.908 19002 61 1 1 . 1 1 23 23 ASP N N 23 121.204 121.204 120.564 0.640 19002 62 1 1 . 1 1 23 23 ASP HA H 23 4.485 4.485 4.299 0.186 19002 63 1 1 . 1 1 23 23 ASP C C 23 178.697 178.697 178.245 0.452 19002 64 1 1 . 1 1 23 23 ASP CA C 23 58.315 58.315 58.110 0.205 19002 65 1 1 . 1 1 23 23 ASP CB C 23 39.931 39.931 40.878 -0.947 19002 66 1 1 . 1 1 23 23 ASP H H 23 8.943 8.943 8.794 0.149 19002 67 1 1 . 1 1 24 24 GLU N N 24 119.241 119.241 118.480 0.761 19002 68 1 1 . 1 1 24 24 GLU HA H 24 4.199 4.199 4.091 0.108 19002 69 1 1 . 1 1 24 24 GLU C C 24 179.911 179.911 179.250 0.661 19002 70 1 1 . 1 1 24 24 GLU CA C 24 59.973 59.973 59.629 0.344 19002 71 1 1 . 1 1 24 24 GLU CB C 24 29.306 29.306 29.511 -0.205 19002 72 1 1 . 1 1 24 24 GLU H H 24 8.741 8.741 8.663 0.078 19002 73 1 1 . 1 1 25 25 GLU N N 25 121.151 121.151 119.718 1.433 19002 74 1 1 . 1 1 25 25 GLU HA H 25 4.200 4.200 4.251 -0.051 19002 75 1 1 . 1 1 25 25 GLU C C 25 178.394 178.394 179.193 -0.799 19002 76 1 1 . 1 1 25 25 GLU CA C 25 59.178 59.178 58.474 0.704 19002 77 1 1 . 1 1 25 25 GLU CB C 25 30.873 30.873 29.371 1.502 19002 78 1 1 . 1 1 25 25 GLU H H 25 7.801 7.801 7.829 -0.028 19002 79 1 1 . 1 1 26 26 TYR N N 26 120.692 120.692 121.461 -0.769 19002 80 1 1 . 1 1 26 26 TYR HA H 26 4.184 4.184 4.229 -0.045 19002 81 1 1 . 1 1 26 26 TYR C C 26 177.483 177.483 177.560 -0.077 19002 82 1 1 . 1 1 26 26 TYR CA C 26 61.924 61.924 61.418 0.506 19002 83 1 1 . 1 1 26 26 TYR CB C 26 37.837 37.837 38.823 -0.986 19002 84 1 1 . 1 1 26 26 TYR H H 26 8.897 8.897 8.769 0.128 19002 85 1 1 . 1 1 27 27 ASP N N 27 118.898 118.898 119.666 -0.768 19002 86 1 1 . 1 1 27 27 ASP HA H 27 4.338 4.338 4.258 0.080 19002 87 1 1 . 1 1 27 27 ASP C C 27 178.535 178.535 178.045 0.490 19002 88 1 1 . 1 1 27 27 ASP CA C 27 57.864 57.864 57.946 -0.082 19002 89 1 1 . 1 1 27 27 ASP CB C 27 40.797 40.797 40.879 -0.082 19002 90 1 1 . 1 1 27 27 ASP H H 27 8.135 8.135 8.626 -0.491 19002 91 1 1 . 1 1 28 28 GLU N N 28 121.020 121.020 120.766 0.254 19002 92 1 1 . 1 1 28 28 GLU HA H 28 4.101 4.101 4.072 0.029 19002 93 1 1 . 1 1 28 28 GLU C C 28 178.394 178.394 178.526 -0.132 19002 94 1 1 . 1 1 28 28 GLU CA C 28 59.450 59.450 59.275 0.175 19002 95 1 1 . 1 1 28 28 GLU CB C 28 29.231 29.231 29.453 -0.222 19002 96 1 1 . 1 1 28 28 GLU H H 28 7.655 7.655 8.210 -0.555 19002 97 1 1 . 1 1 29 29 PHE N N 29 121.567 121.567 120.562 1.005 19002 98 1 1 . 1 1 29 29 PHE HA H 29 3.765 3.765 4.027 -0.262 19002 99 1 1 . 1 1 29 29 PHE C C 29 176.169 176.169 177.166 -0.997 19002 100 1 1 . 1 1 29 29 PHE CA C 29 61.371 61.371 60.596 0.775 19002 101 1 1 . 1 1 29 29 PHE CB C 29 37.588 37.588 38.419 -0.831 19002 102 1 1 . 1 1 29 29 PHE H H 29 8.471 8.471 8.145 0.326 19002 103 1 1 . 1 1 30 30 LYS N N 30 118.916 118.916 119.530 -0.614 19002 104 1 1 . 1 1 30 30 LYS HA H 30 3.137 3.137 3.338 -0.201 19002 105 1 1 . 1 1 30 30 LYS C C 30 179.445 179.445 178.811 0.634 19002 106 1 1 . 1 1 30 30 LYS CA C 30 60.346 60.346 59.835 0.511 19002 107 1 1 . 1 1 30 30 LYS CB C 30 31.992 31.992 31.929 0.063 19002 108 1 1 . 1 1 30 30 LYS H H 30 8.287 8.287 8.273 0.014 19002 109 1 1 . 1 1 31 31 LYS N N 31 120.113 120.113 119.567 0.546 19002 110 1 1 . 1 1 31 31 LYS HA H 31 4.018 4.018 3.875 0.143 19002 111 1 1 . 1 1 31 31 LYS C C 31 179.918 179.918 179.284 0.634 19002 112 1 1 . 1 1 31 31 LYS CA C 31 59.700 59.700 59.730 -0.030 19002 113 1 1 . 1 1 31 31 LYS CB C 31 32.300 32.300 32.254 0.046 19002 114 1 1 . 1 1 31 31 LYS H H 31 7.690 7.690 8.235 -0.545 19002 115 1 1 . 1 1 32 32 ARG N N 32 121.200 121.200 118.259 2.941 19002 116 1 1 . 1 1 32 32 ARG HA H 32 3.893 3.893 3.891 0.002 19002 117 1 1 . 1 1 32 32 ARG C C 32 178.990 178.990 178.715 0.275 19002 118 1 1 . 1 1 32 32 ARG CA C 32 59.452 59.452 59.204 0.248 19002 119 1 1 . 1 1 32 32 ARG CB C 32 31.284 31.284 30.107 1.177 19002 120 1 1 . 1 1 32 32 ARG H H 32 8.299 8.299 8.423 -0.124 19002 121 1 1 . 1 1 33 33 ARG N N 33 120.223 120.223 120.550 -0.327 19002 122 1 1 . 1 1 33 33 ARG HA H 33 3.698 3.698 4.055 -0.357 19002 123 1 1 . 1 1 33 33 ARG C C 33 178.697 178.697 177.806 0.891 19002 124 1 1 . 1 1 33 33 ARG CA C 33 59.607 59.607 59.239 0.368 19002 125 1 1 . 1 1 33 33 ARG CB C 33 29.570 29.570 29.843 -0.273 19002 126 1 1 . 1 1 33 33 ARG H H 33 8.704 8.704 8.325 0.379 19002 127 1 1 . 1 1 34 34 GLU N N 34 119.860 119.860 119.663 0.197 19002 128 1 1 . 1 1 34 34 GLU HA H 34 4.046 4.046 3.972 0.074 19002 129 1 1 . 1 1 34 34 GLU C C 34 179.850 179.850 179.097 0.753 19002 130 1 1 . 1 1 34 34 GLU CA C 34 59.210 59.210 59.328 -0.118 19002 131 1 1 . 1 1 34 34 GLU CB C 34 29.380 29.380 29.243 0.137 19002 132 1 1 . 1 1 34 34 GLU H H 34 7.941 7.941 8.497 -0.556 19002 133 1 1 . 1 1 35 35 SER N N 35 115.261 115.261 115.648 -0.387 19002 134 1 1 . 1 1 35 35 SER HA H 35 4.378 4.378 4.193 0.185 19002 135 1 1 . 1 1 35 35 SER C C 35 175.339 175.339 175.878 -0.539 19002 136 1 1 . 1 1 35 35 SER CA C 35 60.068 60.068 60.660 -0.591 19002 137 1 1 . 1 1 35 35 SER CB C 35 63.321 63.321 63.066 0.255 19002 138 1 1 . 1 1 35 35 SER H H 35 7.813 7.813 7.966 -0.153 19002 139 1 1 . 1 1 36 36 ARG N N 36 119.557 119.557 119.837 -0.280 19002 140 1 1 . 1 1 36 36 ARG HA H 36 4.439 4.439 4.452 -0.013 19002 141 1 1 . 1 1 36 36 ARG C C 36 177.524 177.524 175.715 1.809 19002 142 1 1 . 1 1 36 36 ARG CA C 36 55.794 55.794 54.749 1.045 19002 143 1 1 . 1 1 36 36 ARG CB C 36 30.276 30.276 30.138 0.138 19002 144 1 1 . 1 1 36 36 ARG H H 36 7.459 7.459 7.112 0.347 19002 145 1 1 . 1 1 37 37 GLY N N 37 109.722 109.722 107.014 2.708 19002 146 1 1 . 1 1 37 37 GLY C C 37 175.117 175.117 175.322 -0.205 19002 147 1 1 . 1 1 37 37 GLY CA C 37 46.691 46.691 45.639 1.052 19002 148 1 1 . 1 1 37 37 GLY H H 37 7.981 7.981 8.015 -0.034 19002 149 1 1 . 1 1 38 38 GLY N N 38 104.904 104.904 106.551 -1.647 19002 150 1 1 . 1 1 38 38 GLY C C 38 174.489 174.489 175.243 -0.754 19002 151 1 1 . 1 1 38 38 GLY CA C 38 45.012 45.012 44.874 0.138 19002 152 1 1 . 1 1 38 38 GLY H H 38 8.271 8.271 8.650 -0.379 19002 153 1 1 . 1 1 39 39 LYS N N 39 122.169 122.169 123.212 -1.043 19002 154 1 1 . 1 1 39 39 LYS HA H 39 4.515 4.515 4.414 0.101 19002 155 1 1 . 1 1 39 39 LYS C C 39 174.995 174.995 175.101 -0.106 19002 156 1 1 . 1 1 39 39 LYS CA C 39 55.622 55.622 55.728 -0.106 19002 157 1 1 . 1 1 39 39 LYS CB C 39 30.846 30.846 31.599 -0.753 19002 158 1 1 . 1 1 39 39 LYS H H 39 7.471 7.471 7.689 -0.218 19002 159 1 1 . 1 1 40 40 TYR N N 40 123.749 123.749 122.745 1.004 19002 160 1 1 . 1 1 40 40 TYR HA H 40 4.893 4.893 4.741 0.152 19002 161 1 1 . 1 1 40 40 TYR C C 40 173.883 173.883 173.806 0.077 19002 162 1 1 . 1 1 40 40 TYR CA C 40 58.629 58.629 56.971 1.658 19002 163 1 1 . 1 1 40 40 TYR CB C 40 40.871 40.871 40.362 0.509 19002 164 1 1 . 1 1 40 40 TYR H H 40 7.687 7.687 8.117 -0.430 19002 165 1 1 . 1 1 41 41 SER N N 41 124.561 124.561 122.800 1.761 19002 166 1 1 . 1 1 41 41 SER HA H 41 5.061 5.061 4.790 0.271 19002 167 1 1 . 1 1 41 41 SER C C 41 175.258 175.258 175.051 0.207 19002 168 1 1 . 1 1 41 41 SER CA C 41 56.913 56.913 57.117 -0.204 19002 169 1 1 . 1 1 41 41 SER CB C 41 67.136 67.136 64.405 2.731 19002 170 1 1 . 1 1 41 41 SER H H 41 9.246 9.246 8.828 0.418 19002 171 1 1 . 1 1 42 42 ILE N N 42 122.298 122.298 121.821 0.477 19002 172 1 1 . 1 1 42 42 ILE HA H 42 3.384 3.384 3.133 0.251 19002 173 1 1 . 1 1 42 42 ILE C C 42 176.573 176.573 176.592 -0.019 19002 174 1 1 . 1 1 42 42 ILE CA C 42 63.317 63.317 64.407 -1.090 19002 175 1 1 . 1 1 42 42 ILE CB C 42 37.290 37.290 37.710 -0.420 19002 176 1 1 . 1 1 42 42 ILE H H 42 8.848 8.848 8.828 0.020 19002 177 1 1 . 1 1 43 43 ASP N N 43 118.987 118.987 118.185 0.802 19002 178 1 1 . 1 1 43 43 ASP HA H 43 4.317 4.317 4.201 0.116 19002 179 1 1 . 1 1 43 43 ASP C C 43 178.940 178.940 177.867 1.073 19002 180 1 1 . 1 1 43 43 ASP CA C 43 57.809 57.809 57.796 0.013 19002 181 1 1 . 1 1 43 43 ASP CB C 43 40.722 40.722 40.156 0.566 19002 182 1 1 . 1 1 43 43 ASP H H 43 7.673 7.673 8.416 -0.743 19002 183 1 1 . 1 1 44 44 ASP N N 44 121.961 121.961 119.598 2.363 19002 184 1 1 . 1 1 44 44 ASP HA H 44 4.259 4.259 4.281 -0.022 19002 185 1 1 . 1 1 44 44 ASP C C 44 177.564 177.564 178.185 -0.621 19002 186 1 1 . 1 1 44 44 ASP CA C 44 57.624 57.624 57.376 0.248 19002 187 1 1 . 1 1 44 44 ASP CB C 44 41.244 41.244 40.369 0.875 19002 188 1 1 . 1 1 44 44 ASP H H 44 7.610 7.610 7.454 0.156 19002 189 1 1 . 1 1 45 45 TYR N N 45 121.352 121.352 122.023 -0.671 19002 190 1 1 . 1 1 45 45 TYR HA H 45 4.676 4.676 4.399 0.277 19002 191 1 1 . 1 1 45 45 TYR C C 45 177.362 177.362 177.779 -0.417 19002 192 1 1 . 1 1 45 45 TYR CA C 45 60.703 60.703 61.147 -0.444 19002 193 1 1 . 1 1 45 45 TYR CB C 45 38.747 38.747 38.757 -0.010 19002 194 1 1 . 1 1 45 45 TYR H H 45 7.750 7.750 7.392 0.358 19002 195 1 1 . 1 1 46 46 LEU N N 46 118.650 118.650 118.844 -0.194 19002 196 1 1 . 1 1 46 46 LEU HA H 46 3.697 3.697 3.723 -0.026 19002 197 1 1 . 1 1 46 46 LEU C C 46 179.850 179.850 178.861 0.989 19002 198 1 1 . 1 1 46 46 LEU CA C 46 57.807 57.807 57.452 0.355 19002 199 1 1 . 1 1 46 46 LEU CB C 46 41.205 41.205 41.305 -0.100 19002 200 1 1 . 1 1 46 46 LEU H H 46 8.544 8.544 8.831 -0.287 19002 201 1 1 . 1 1 47 47 ALA N N 47 121.991 121.991 121.745 0.246 19002 202 1 1 . 1 1 47 47 ALA HA H 47 4.190 4.190 3.872 0.318 19002 203 1 1 . 1 1 47 47 ALA C C 47 180.457 180.457 178.568 1.889 19002 204 1 1 . 1 1 47 47 ALA CA C 47 55.048 55.048 55.152 -0.104 19002 205 1 1 . 1 1 47 47 ALA CB C 47 18.337 18.337 18.354 -0.017 19002 206 1 1 . 1 1 47 47 ALA H H 47 7.716 7.716 8.159 -0.443 19002 207 1 1 . 1 1 48 48 ASP N N 48 120.788 120.788 117.255 3.533 19002 208 1 1 . 1 1 48 48 ASP HA H 48 4.505 4.505 4.450 0.055 19002 209 1 1 . 1 1 48 48 ASP C C 48 178.596 178.596 178.151 0.445 19002 210 1 1 . 1 1 48 48 ASP CA C 48 57.361 57.361 56.039 1.322 19002 211 1 1 . 1 1 48 48 ASP CB C 48 40.076 40.076 41.271 -1.195 19002 212 1 1 . 1 1 48 48 ASP H H 48 8.316 8.316 7.611 0.705 19002 213 1 1 . 1 1 49 49 ARG N N 49 120.274 120.274 120.588 -0.314 19002 214 1 1 . 1 1 49 49 ARG HA H 49 3.952 3.952 3.765 0.187 19002 215 1 1 . 1 1 49 49 ARG C C 49 178.454 178.454 177.953 0.501 19002 216 1 1 . 1 1 49 49 ARG CA C 49 58.133 58.133 59.055 -0.922 19002 217 1 1 . 1 1 49 49 ARG CB C 49 29.231 29.231 29.962 -0.731 19002 218 1 1 . 1 1 49 49 ARG H H 49 8.459 8.459 8.261 0.198 19002 219 1 1 . 1 1 50 50 GLU N N 50 118.834 118.834 117.243 1.591 19002 220 1 1 . 1 1 50 50 GLU HA H 50 4.101 4.101 4.056 0.045 19002 221 1 1 . 1 1 50 50 GLU C C 50 178.353 178.353 178.327 0.026 19002 222 1 1 . 1 1 50 50 GLU CA C 50 58.928 58.928 58.716 0.212 19002 223 1 1 . 1 1 50 50 GLU CB C 50 29.530 29.530 28.869 0.661 19002 224 1 1 . 1 1 50 50 GLU H H 50 7.734 7.734 7.922 -0.188 19002 225 1 1 . 1 1 51 51 ARG N N 51 119.239 119.239 118.251 0.988 19002 226 1 1 . 1 1 51 51 ARG HA H 51 4.240 4.240 4.364 -0.124 19002 227 1 1 . 1 1 51 51 ARG C C 51 178.370 178.370 178.338 0.032 19002 228 1 1 . 1 1 51 51 ARG CA C 51 58.105 58.105 57.590 0.515 19002 229 1 1 . 1 1 51 51 ARG CB C 51 30.649 30.649 30.060 0.589 19002 230 1 1 . 1 1 51 51 ARG H H 51 7.694 7.694 7.394 0.300 19002 231 1 1 . 1 1 52 52 GLU N N 52 119.667 119.667 120.202 -0.535 19002 232 1 1 . 1 1 52 52 GLU HA H 52 4.099 4.099 4.000 0.099 19002 233 1 1 . 1 1 52 52 GLU C C 52 178.370 178.370 179.124 -0.754 19002 234 1 1 . 1 1 52 52 GLU CA C 52 58.538 58.538 59.339 -0.801 19002 235 1 1 . 1 1 52 52 GLU CB C 52 29.661 29.661 29.154 0.507 19002 236 1 1 . 1 1 52 52 GLU H H 52 8.299 8.299 8.505 -0.206 19002 237 1 1 . 1 1 53 53 GLU N N 53 119.152 119.152 117.470 1.682 19002 238 1 1 . 1 1 53 53 GLU HA H 53 4.210 4.210 4.084 0.126 19002 239 1 1 . 1 1 53 53 GLU C C 53 177.740 177.740 178.716 -0.976 19002 240 1 1 . 1 1 53 53 GLU CA C 53 58.172 58.172 58.571 -0.399 19002 241 1 1 . 1 1 53 53 GLU CB C 53 29.530 29.530 29.499 0.031 19002 242 1 1 . 1 1 53 53 GLU H H 53 8.098 8.098 8.030 0.068 19002 243 1 1 . 1 1 54 54 GLU N N 54 120.097 120.097 119.515 0.582 19002 244 1 1 . 1 1 54 54 GLU HA H 54 4.212 4.212 4.157 0.055 19002 245 1 1 . 1 1 54 54 GLU C C 54 177.443 177.443 178.714 -1.271 19002 246 1 1 . 1 1 54 54 GLU CA C 54 58.081 58.081 58.457 -0.376 19002 247 1 1 . 1 1 54 54 GLU CB C 54 29.788 29.788 29.417 0.371 19002 248 1 1 . 1 1 54 54 GLU H H 54 7.968 7.968 7.578 0.390 19002 249 1 1 . 1 1 55 55 LEU N N 55 120.563 120.563 118.819 1.744 19002 250 1 1 . 1 1 55 55 LEU HA H 55 4.288 4.288 4.335 -0.047 19002 251 1 1 . 1 1 55 55 LEU C C 55 177.735 177.735 177.685 0.050 19002 252 1 1 . 1 1 55 55 LEU CA C 55 56.070 56.070 55.441 0.629 19002 253 1 1 . 1 1 55 55 LEU CB C 55 42.062 42.062 42.128 -0.066 19002 254 1 1 . 1 1 55 55 LEU H H 55 7.905 7.905 8.138 -0.233 19002 255 1 1 . 1 1 56 56 LEU N N 56 121.250 121.250 118.689 2.561 19002 256 1 1 . 1 1 56 56 LEU HA H 56 4.312 4.312 4.294 0.018 19002 257 1 1 . 1 1 56 56 LEU C C 56 177.726 177.726 176.772 0.954 19002 258 1 1 . 1 1 56 56 LEU CA C 56 55.979 55.979 56.153 -0.174 19002 259 1 1 . 1 1 56 56 LEU CB C 56 42.635 42.635 42.790 -0.155 19002 260 1 1 . 1 1 56 56 LEU H H 56 7.859 7.859 7.460 0.399 19002 261 1 1 . 1 1 57 57 GLU N N 57 120.632 120.632 116.904 3.728 19002 262 1 1 . 1 1 57 57 GLU HA H 57 4.283 4.283 4.523 -0.240 19002 263 1 1 . 1 1 57 57 GLU C C 57 176.553 176.553 174.547 2.006 19002 264 1 1 . 1 1 57 57 GLU CA C 57 57.076 57.076 54.951 2.125 19002 265 1 1 . 1 1 57 57 GLU CB C 57 30.052 30.052 32.516 -2.464 19002 266 1 1 . 1 1 57 57 GLU H H 57 8.153 8.153 7.414 0.739 19002 267 1 1 . 1 1 58 58 ARG N N 58 121.282 121.282 119.113 2.169 19002 268 1 1 . 1 1 58 58 ARG HA H 58 4.372 4.372 4.004 0.368 19002 269 1 1 . 1 1 58 58 ARG C C 58 176.169 176.169 176.329 -0.160 19002 270 1 1 . 1 1 58 58 ARG CA C 58 56.344 56.344 57.093 -0.749 19002 271 1 1 . 1 1 58 58 ARG CB C 58 31.102 31.102 29.918 1.184 19002 272 1 1 . 1 1 58 58 ARG H H 58 8.146 8.146 8.651 -0.505 19002 273 1 1 . 1 1 59 59 ASP N N 59 121.619 121.619 116.135 5.484 19002 274 1 1 . 1 1 59 59 ASP HA H 59 4.639 4.639 4.457 0.182 19002 275 1 1 . 1 1 59 59 ASP C C 59 176.553 176.553 177.155 -0.602 19002 276 1 1 . 1 1 59 59 ASP CA C 59 54.768 54.768 57.483 -2.715 19002 277 1 1 . 1 1 59 59 ASP CB C 59 41.256 41.256 39.991 1.265 19002 278 1 1 . 1 1 59 59 ASP H H 59 8.386 8.386 8.895 -0.509 19002 279 1 1 . 1 1 60 60 GLU N N 60 121.214 121.214 119.954 1.260 19002 280 1 1 . 1 1 60 60 GLU HA H 60 4.273 4.273 4.229 0.044 19002 281 1 1 . 1 1 60 60 GLU C C 60 176.876 176.876 177.571 -0.695 19002 282 1 1 . 1 1 60 60 GLU CA C 60 57.361 57.361 57.892 -0.530 19002 283 1 1 . 1 1 60 60 GLU CB C 60 30.425 30.425 29.186 1.240 19002 284 1 1 . 1 1 60 60 GLU H H 60 8.372 8.372 8.235 0.137 19002 285 1 1 . 1 1 61 61 GLU N N 61 121.077 121.077 117.745 3.332 19002 286 1 1 . 1 1 61 61 GLU HA H 61 4.210 4.210 4.297 -0.087 19002 287 1 1 . 1 1 61 61 GLU C C 61 176.832 176.832 175.549 1.283 19002 288 1 1 . 1 1 61 61 GLU CA C 61 57.734 57.734 56.048 1.686 19002 289 1 1 . 1 1 61 61 GLU CB C 61 30.425 30.425 28.655 1.770 19002 290 1 1 . 1 1 61 61 GLU H H 61 8.384 8.384 8.240 0.144 19002 291 1 1 . 1 1 62 62 GLU N N 62 121.155 121.155 118.858 2.297 19002 292 1 1 . 1 1 62 62 GLU HA H 62 4.249 4.249 4.109 0.140 19002 293 1 1 . 1 1 62 62 GLU C C 62 176.432 176.432 175.146 1.286 19002 294 1 1 . 1 1 62 62 GLU CA C 62 57.137 57.137 57.223 -0.086 19002 295 1 1 . 1 1 62 62 GLU CB C 62 30.425 30.425 29.165 1.260 19002 296 1 1 . 1 1 62 62 GLU H H 62 8.300 8.300 7.882 0.418 19002 297 1 1 . 1 1 63 63 ALA N N 63 124.607 124.607 123.250 1.357 19002 298 1 1 . 1 1 63 63 ALA HA H 63 4.293 4.293 4.106 0.187 19002 299 1 1 . 1 1 63 63 ALA C C 63 177.483 177.483 176.274 1.209 19002 300 1 1 . 1 1 63 63 ALA CA C 63 52.915 52.915 53.541 -0.626 19002 301 1 1 . 1 1 63 63 ALA CB C 63 19.070 19.070 17.824 1.246 19002 302 1 1 . 1 1 63 63 ALA H H 63 8.178 8.178 8.882 -0.704 19002 303 1 1 . 1 1 64 64 ILE N N 64 118.941 118.941 116.701 2.240 19002 304 1 1 . 1 1 64 64 ILE HA H 64 4.076 4.076 4.173 -0.097 19002 305 1 1 . 1 1 64 64 ILE C C 64 176.047 176.047 177.010 -0.963 19002 306 1 1 . 1 1 64 64 ILE CA C 64 61.342 61.342 61.964 -0.622 19002 307 1 1 . 1 1 64 64 ILE CB C 64 38.700 38.700 40.136 -1.436 19002 308 1 1 . 1 1 64 64 ILE H H 64 7.872 7.872 8.016 -0.144 19002 309 1 1 . 1 1 65 65 PHE N N 65 122.809 122.809 120.253 2.556 19002 310 1 1 . 1 1 65 65 PHE HA H 65 4.615 4.615 4.598 0.017 19002 311 1 1 . 1 1 65 65 PHE C C 65 176.270 176.270 175.697 0.573 19002 312 1 1 . 1 1 65 65 PHE CA C 65 57.807 57.807 56.754 1.053 19002 313 1 1 . 1 1 65 65 PHE CB C 65 39.827 39.827 36.395 3.432 19002 314 1 1 . 1 1 65 65 PHE H H 65 8.188 8.188 8.275 -0.087 19002 315 1 1 . 1 1 66 66 GLY N N 66 110.278 110.278 110.676 -0.398 19002 316 1 1 . 1 1 66 66 GLY C C 66 173.802 173.802 172.853 0.949 19002 317 1 1 . 1 1 66 66 GLY CA C 66 45.391 45.391 44.424 0.967 19002 318 1 1 . 1 1 66 66 GLY H H 66 8.213 8.213 7.731 0.482 19002 319 1 1 . 1 1 67 67 ASP N N 67 120.510 120.510 120.437 0.073 19002 320 1 1 . 1 1 67 67 ASP HA H 67 4.599 4.599 4.611 -0.012 19002 321 1 1 . 1 1 67 67 ASP C C 67 176.897 176.897 176.620 0.277 19002 322 1 1 . 1 1 67 67 ASP CA C 67 54.425 54.425 54.809 -0.384 19002 323 1 1 . 1 1 67 67 ASP CB C 67 41.265 41.265 41.034 0.231 19002 324 1 1 . 1 1 67 67 ASP H H 67 8.254 8.254 8.350 -0.096 19002 325 1 1 . 1 1 68 68 GLY N N 68 108.789 108.789 107.284 1.505 19002 326 1 1 . 1 1 68 68 GLY C C 68 174.307 174.307 172.572 1.735 19002 327 1 1 . 1 1 68 68 GLY CA C 68 46.020 46.020 44.066 1.954 19002 328 1 1 . 1 1 68 68 GLY H H 68 8.342 8.342 7.398 0.944 19002 329 1 1 . 1 1 69 69 PHE N N 69 119.903 119.903 113.748 6.155 19002 330 1 1 . 1 1 69 69 PHE HA H 69 4.599 4.599 4.452 0.147 19002 331 1 1 . 1 1 69 69 PHE C C 69 176.432 176.432 175.449 0.983 19002 332 1 1 . 1 1 69 69 PHE CA C 69 58.146 58.146 56.313 1.833 19002 333 1 1 . 1 1 69 69 PHE CB C 69 39.339 39.339 39.459 -0.120 19002 334 1 1 . 1 1 69 69 PHE H H 69 8.178 8.178 7.734 0.444 19002 335 1 1 . 1 1 70 70 GLY N N 70 110.089 110.089 110.627 -0.538 19002 336 1 1 . 1 1 70 70 GLY C C 70 174.227 174.227 176.638 -2.411 19002 337 1 1 . 1 1 70 70 GLY CA C 70 45.628 45.628 47.129 -1.501 19002 338 1 1 . 1 1 70 70 GLY H H 70 8.382 8.382 8.496 -0.114 19002 339 1 1 . 1 1 71 71 LEU N N 71 121.600 121.600 121.440 0.160 19002 340 1 1 . 1 1 71 71 LEU HA H 71 4.290 4.290 4.197 0.093 19002 341 1 1 . 1 1 71 71 LEU C C 71 177.645 177.645 177.548 0.097 19002 342 1 1 . 1 1 71 71 LEU CA C 71 55.500 55.500 56.940 -1.440 19002 343 1 1 . 1 1 71 71 LEU CB C 71 42.400 42.400 42.310 0.090 19002 344 1 1 . 1 1 71 71 LEU H H 71 8.069 8.069 8.250 -0.181 19002 345 1 1 . 1 1 72 72 LYS N N 72 121.214 121.214 116.668 4.546 19002 346 1 1 . 1 1 72 72 LYS HA H 72 4.283 4.283 4.515 -0.232 19002 347 1 1 . 1 1 72 72 LYS C C 72 176.553 176.553 175.101 1.452 19002 348 1 1 . 1 1 72 72 LYS CA C 72 56.594 56.594 55.326 1.268 19002 349 1 1 . 1 1 72 72 LYS CB C 72 32.765 32.765 33.119 -0.354 19002 350 1 1 . 1 1 72 72 LYS H H 72 8.372 8.372 7.988 0.384 19002 351 1 1 . 1 1 73 73 ALA N N 73 124.187 124.187 123.873 0.314 19002 352 1 1 . 1 1 73 73 ALA HA H 73 4.347 4.347 4.738 -0.391 19002 353 1 1 . 1 1 73 73 ALA C C 73 178.009 178.009 178.150 -0.141 19002 354 1 1 . 1 1 73 73 ALA CA C 73 52.597 52.597 52.298 0.299 19002 355 1 1 . 1 1 73 73 ALA CB C 73 19.239 19.239 19.734 -0.495 19002 356 1 1 . 1 1 73 73 ALA H H 73 8.188 8.188 7.362 0.827 19002 357 1 1 . 1 1 74 74 THR N N 74 112.973 112.973 116.024 -3.051 19002 358 1 1 . 1 1 74 74 THR HA H 74 4.339 4.339 4.276 0.063 19002 359 1 1 . 1 1 74 74 THR C C 74 174.753 174.753 174.839 -0.086 19002 360 1 1 . 1 1 74 74 THR CA C 74 62.046 62.046 61.548 0.498 19002 361 1 1 . 1 1 74 74 THR CB C 74 69.779 69.779 68.424 1.355 19002 362 1 1 . 1 1 74 74 THR H H 74 8.054 8.054 8.624 -0.570 19002 363 1 1 . 1 1 75 75 ARG N N 75 123.112 123.112 126.494 -3.382 19002 364 1 1 . 1 1 75 75 ARG HA H 75 4.371 4.371 4.339 0.032 19002 365 1 1 . 1 1 75 75 ARG C C 75 176.411 176.411 176.401 0.010 19002 366 1 1 . 1 1 75 75 ARG CA C 75 56.801 56.801 55.355 1.446 19002 367 1 1 . 1 1 75 75 ARG CB C 75 30.798 30.798 28.840 1.958 19002 368 1 1 . 1 1 75 75 ARG H H 75 8.296 8.296 8.189 0.107 19002 369 1 1 . 1 1 76 76 ARG N N 76 121.977 121.977 123.043 -1.066 19002 370 1 1 . 1 1 76 76 ARG HA H 76 4.362 4.362 4.260 0.102 19002 371 1 1 . 1 1 76 76 ARG C C 76 176.411 176.411 176.851 -0.440 19002 372 1 1 . 1 1 76 76 ARG CA C 76 56.689 56.689 56.733 -0.043 19002 373 1 1 . 1 1 76 76 ARG CB C 76 30.873 30.873 30.498 0.375 19002 374 1 1 . 1 1 76 76 ARG H H 76 8.360 8.360 8.120 0.240 19002 375 1 1 . 1 1 77 77 SER N N 77 116.981 116.981 112.237 4.744 19002 376 1 1 . 1 1 77 77 SER HA H 77 4.483 4.483 4.260 0.223 19002 377 1 1 . 1 1 77 77 SER C C 77 174.672 174.672 174.407 0.265 19002 378 1 1 . 1 1 77 77 SER CA C 77 58.497 58.497 58.367 0.130 19002 379 1 1 . 1 1 77 77 SER CB C 77 63.839 63.839 62.778 1.061 19002 380 1 1 . 1 1 77 77 SER H H 77 8.325 8.325 8.419 -0.094 19002 381 1 1 . 1 1 78 78 ARG N N 78 123.324 123.324 120.678 2.646 19002 382 1 1 . 1 1 78 78 ARG HA H 78 4.377 4.377 4.307 0.070 19002 383 1 1 . 1 1 78 78 ARG C C 78 176.492 176.492 176.036 0.456 19002 384 1 1 . 1 1 78 78 ARG CA C 78 56.619 56.619 56.810 -0.191 19002 385 1 1 . 1 1 78 78 ARG CB C 78 30.873 30.873 30.709 0.164 19002 386 1 1 . 1 1 78 78 ARG H H 78 8.421 8.421 8.315 0.106 19002 387 1 1 . 1 1 79 79 LYS N N 79 122.352 122.352 121.622 0.730 19002 388 1 1 . 1 1 79 79 LYS HA H 79 4.266 4.266 4.511 -0.245 19002 389 1 1 . 1 1 79 79 LYS C C 79 176.472 176.472 175.157 1.315 19002 390 1 1 . 1 1 79 79 LYS CA C 79 57.076 57.076 55.752 1.324 19002 391 1 1 . 1 1 79 79 LYS CB C 79 33.186 33.186 32.411 0.775 19002 392 1 1 . 1 1 79 79 LYS H H 79 8.300 8.300 7.808 0.492 19002 393 1 1 . 1 1 80 80 ALA N N 80 124.816 124.816 127.113 -2.297 19002 394 1 1 . 1 1 80 80 ALA HA H 80 4.308 4.308 4.572 -0.264 19002 395 1 1 . 1 1 80 80 ALA C C 80 177.787 177.787 178.064 -0.277 19002 396 1 1 . 1 1 80 80 ALA CA C 80 52.597 52.597 52.303 0.294 19002 397 1 1 . 1 1 80 80 ALA CB C 80 19.180 19.180 19.991 -0.811 19002 398 1 1 . 1 1 80 80 ALA H H 80 8.269 8.269 8.361 -0.092 19002 399 1 1 . 1 1 81 81 GLU N N 81 120.243 120.243 122.092 -1.849 19002 400 1 1 . 1 1 81 81 GLU HA H 81 4.278 4.278 4.181 0.097 19002 401 1 1 . 1 1 81 81 GLU C C 81 176.614 176.614 177.071 -0.457 19002 402 1 1 . 1 1 81 81 GLU CA C 81 56.893 56.893 57.240 -0.347 19002 403 1 1 . 1 1 81 81 GLU CB C 81 30.374 30.374 29.999 0.375 19002 404 1 1 . 1 1 81 81 GLU H H 81 8.283 8.283 8.718 -0.435 19002 405 1 1 . 1 1 82 82 ARG N N 82 121.743 121.743 120.466 1.277 19002 406 1 1 . 1 1 82 82 ARG HA H 82 4.378 4.378 4.460 -0.082 19002 407 1 1 . 1 1 82 82 ARG C C 82 175.946 175.946 175.751 0.195 19002 408 1 1 . 1 1 82 82 ARG CA C 82 56.047 56.047 55.550 0.498 19002 409 1 1 . 1 1 82 82 ARG CB C 82 30.757 30.757 29.299 1.458 19002 410 1 1 . 1 1 82 82 ARG H H 82 8.256 8.256 7.764 0.492 19002 411 1 1 . 1 1 83 83 ALA N N 83 125.049 125.049 125.626 -0.577 19002 412 1 1 . 1 1 83 83 ALA HA H 83 4.313 4.313 4.191 0.122 19002 413 1 1 . 1 1 83 83 ALA C C 83 177.322 177.322 177.356 -0.034 19002 414 1 1 . 1 1 83 83 ALA CA C 83 52.872 52.872 53.377 -0.505 19002 415 1 1 . 1 1 83 83 ALA CB C 83 19.239 19.239 19.279 -0.040 19002 416 1 1 . 1 1 83 83 ALA H H 83 8.241 8.241 8.190 0.051 19002 417 1 1 . 1 1 84 84 LYS N N 84 121.088 121.088 119.039 2.049 19002 418 1 1 . 1 1 84 84 LYS HA H 84 4.286 4.286 4.522 -0.236 19002 419 1 1 . 1 1 84 84 LYS C C 84 175.460 175.460 175.382 0.078 19002 420 1 1 . 1 1 84 84 LYS CA C 84 56.316 56.316 55.397 0.919 19002 421 1 1 . 1 1 84 84 LYS CB C 84 32.923 32.923 33.374 -0.451 19002 422 1 1 . 1 1 84 84 LYS H H 84 8.186 8.186 8.034 0.152 19002 423 1 2 . 1 1 12 12 ARG N N 12 121.400 121.400 121.059 0.341 19002 424 1 2 . 1 1 12 12 ARG HA H 12 4.640 4.640 4.232 0.408 19002 425 1 2 . 1 1 12 12 ARG C C 12 174.242 174.242 174.830 -0.588 19002 426 1 2 . 1 1 12 12 ARG CA C 12 53.900 53.900 55.964 -2.064 19002 427 1 2 . 1 1 12 12 ARG CB C 12 30.400 30.400 30.370 0.030 19002 428 1 2 . 1 1 12 12 ARG H H 12 8.140 8.140 8.320 -0.180 19002 429 1 2 . 1 1 13 13 PRO HA H 13 4.457 4.457 4.500 -0.043 19002 430 1 2 . 1 1 13 13 PRO C C 13 177.524 177.524 176.204 1.320 19002 431 1 2 . 1 1 13 13 PRO CA C 13 63.259 63.259 63.131 0.128 19002 432 1 2 . 1 1 13 13 PRO CB C 13 32.067 32.067 30.605 1.462 19002 433 1 2 . 1 1 14 14 GLY N N 14 109.192 109.192 107.600 1.592 19002 434 1 2 . 1 1 14 14 GLY C C 14 174.227 174.227 174.707 -0.480 19002 435 1 2 . 1 1 14 14 GLY CA C 14 45.497 45.497 44.755 0.742 19002 436 1 2 . 1 1 14 14 GLY H H 14 8.467 8.467 8.230 0.237 19002 437 1 2 . 1 1 15 15 VAL N N 15 119.157 119.157 116.350 2.807 19002 438 1 2 . 1 1 15 15 VAL HA H 15 4.081 4.081 3.969 0.112 19002 439 1 2 . 1 1 15 15 VAL C C 15 175.986 175.986 175.171 0.815 19002 440 1 2 . 1 1 15 15 VAL CA C 15 62.529 62.529 64.852 -2.323 19002 441 1 2 . 1 1 15 15 VAL CB C 15 32.491 32.491 32.380 0.111 19002 442 1 2 . 1 1 15 15 VAL H H 15 7.837 7.837 7.090 0.747 19002 443 1 2 . 1 1 16 16 PHE N N 16 123.110 123.110 118.515 4.595 19002 444 1 2 . 1 1 16 16 PHE HA H 16 4.614 4.614 4.869 -0.255 19002 445 1 2 . 1 1 16 16 PHE C C 16 175.804 175.804 174.504 1.300 19002 446 1 2 . 1 1 16 16 PHE CA C 16 58.398 58.398 55.856 2.542 19002 447 1 2 . 1 1 16 16 PHE CB C 16 39.475 39.475 39.046 0.429 19002 448 1 2 . 1 1 16 16 PHE H H 16 8.265 8.265 8.021 0.244 19002 449 1 2 . 1 1 17 17 ARG N N 17 122.074 122.074 121.400 0.674 19002 450 1 2 . 1 1 17 17 ARG HA H 17 4.323 4.323 4.451 -0.128 19002 451 1 2 . 1 1 17 17 ARG C C 17 176.452 176.452 174.993 1.459 19002 452 1 2 . 1 1 17 17 ARG CA C 17 56.710 56.710 54.351 2.359 19002 453 1 2 . 1 1 17 17 ARG CB C 17 30.937 30.937 32.645 -1.708 19002 454 1 2 . 1 1 17 17 ARG H H 17 8.155 8.155 7.393 0.762 19002 455 1 2 . 1 1 18 18 THR N N 18 114.223 114.223 111.801 2.422 19002 456 1 2 . 1 1 18 18 THR HA H 18 4.231 4.231 4.400 -0.169 19002 457 1 2 . 1 1 18 18 THR C C 18 174.348 174.348 174.210 0.138 19002 458 1 2 . 1 1 18 18 THR CA C 18 62.410 62.410 60.421 1.989 19002 459 1 2 . 1 1 18 18 THR CB C 18 69.509 69.509 70.593 -1.084 19002 460 1 2 . 1 1 18 18 THR H H 18 8.015 8.015 8.180 -0.165 19002 461 1 2 . 1 1 19 19 ARG N N 19 120.957 120.957 124.883 -3.926 19002 462 1 2 . 1 1 19 19 ARG HA H 19 4.323 4.323 4.514 -0.191 19002 463 1 2 . 1 1 19 19 ARG C C 19 175.986 175.986 176.096 -0.110 19002 464 1 2 . 1 1 19 19 ARG CA C 19 56.093 56.093 55.453 0.640 19002 465 1 2 . 1 1 19 19 ARG CB C 19 30.480 30.480 30.394 0.086 19002 466 1 2 . 1 1 19 19 ARG H H 19 8.080 8.080 8.773 -0.693 19002 467 1 2 . 1 1 20 20 GLY N N 20 107.963 107.963 108.011 -0.048 19002 468 1 2 . 1 1 20 20 GLY C C 20 173.802 173.802 173.353 0.449 19002 469 1 2 . 1 1 20 20 GLY CA C 20 45.273 45.273 45.233 0.041 19002 470 1 2 . 1 1 20 20 GLY H H 20 8.241 8.241 8.177 0.064 19002 471 1 2 . 1 1 21 21 LEU N N 21 121.181 121.181 121.174 0.007 19002 472 1 2 . 1 1 21 21 LEU HA H 21 4.770 4.770 4.416 0.354 19002 473 1 2 . 1 1 21 21 LEU C C 21 178.414 178.414 177.352 1.062 19002 474 1 2 . 1 1 21 21 LEU CA C 21 54.677 54.677 54.803 -0.126 19002 475 1 2 . 1 1 21 21 LEU CB C 21 43.142 43.142 42.748 0.394 19002 476 1 2 . 1 1 21 21 LEU H H 21 7.967 7.967 7.821 0.146 19002 477 1 2 . 1 1 22 22 THR N N 22 114.494 114.494 118.475 -3.981 19002 478 1 2 . 1 1 22 22 THR HA H 22 4.558 4.558 4.307 0.251 19002 479 1 2 . 1 1 22 22 THR C C 22 175.359 175.359 175.310 0.049 19002 480 1 2 . 1 1 22 22 THR CA C 22 61.316 61.316 61.255 0.061 19002 481 1 2 . 1 1 22 22 THR CB C 22 71.015 71.015 70.185 0.830 19002 482 1 2 . 1 1 22 22 THR H H 22 9.075 9.075 9.310 -0.235 19002 483 1 2 . 1 1 23 23 ASP N N 23 121.204 121.204 120.810 0.394 19002 484 1 2 . 1 1 23 23 ASP HA H 23 4.485 4.485 4.295 0.190 19002 485 1 2 . 1 1 23 23 ASP C C 23 178.697 178.697 178.121 0.576 19002 486 1 2 . 1 1 23 23 ASP CA C 23 58.315 58.315 58.269 0.046 19002 487 1 2 . 1 1 23 23 ASP CB C 23 39.931 39.931 40.752 -0.821 19002 488 1 2 . 1 1 23 23 ASP H H 23 8.943 8.943 8.820 0.123 19002 489 1 2 . 1 1 24 24 GLU N N 24 119.241 119.241 118.157 1.084 19002 490 1 2 . 1 1 24 24 GLU HA H 24 4.199 4.199 4.131 0.068 19002 491 1 2 . 1 1 24 24 GLU C C 24 179.911 179.911 179.268 0.643 19002 492 1 2 . 1 1 24 24 GLU CA C 24 59.973 59.973 59.728 0.245 19002 493 1 2 . 1 1 24 24 GLU CB C 24 29.306 29.306 29.122 0.184 19002 494 1 2 . 1 1 24 24 GLU H H 24 8.741 8.741 8.847 -0.106 19002 495 1 2 . 1 1 25 25 GLU N N 25 121.151 121.151 120.823 0.328 19002 496 1 2 . 1 1 25 25 GLU HA H 25 4.200 4.200 4.235 -0.035 19002 497 1 2 . 1 1 25 25 GLU C C 25 178.394 178.394 179.155 -0.761 19002 498 1 2 . 1 1 25 25 GLU CA C 25 59.178 59.178 59.262 -0.084 19002 499 1 2 . 1 1 25 25 GLU CB C 25 30.873 30.873 29.824 1.049 19002 500 1 2 . 1 1 25 25 GLU H H 25 7.801 7.801 7.651 0.150 19002 501 1 2 . 1 1 26 26 TYR N N 26 120.692 120.692 120.901 -0.209 19002 502 1 2 . 1 1 26 26 TYR HA H 26 4.184 4.184 4.053 0.131 19002 503 1 2 . 1 1 26 26 TYR C C 26 177.483 177.483 177.373 0.110 19002 504 1 2 . 1 1 26 26 TYR CA C 26 61.924 61.924 61.513 0.411 19002 505 1 2 . 1 1 26 26 TYR CB C 26 37.837 37.837 38.725 -0.888 19002 506 1 2 . 1 1 26 26 TYR H H 26 8.897 8.897 8.678 0.219 19002 507 1 2 . 1 1 27 27 ASP N N 27 118.898 118.898 119.525 -0.627 19002 508 1 2 . 1 1 27 27 ASP HA H 27 4.338 4.338 4.221 0.117 19002 509 1 2 . 1 1 27 27 ASP C C 27 178.535 178.535 178.212 0.323 19002 510 1 2 . 1 1 27 27 ASP CA C 27 57.864 57.864 58.238 -0.374 19002 511 1 2 . 1 1 27 27 ASP CB C 27 40.797 40.797 40.862 -0.065 19002 512 1 2 . 1 1 27 27 ASP H H 27 8.135 8.135 8.672 -0.537 19002 513 1 2 . 1 1 28 28 GLU N N 28 121.020 121.020 120.317 0.703 19002 514 1 2 . 1 1 28 28 GLU HA H 28 4.101 4.101 4.002 0.099 19002 515 1 2 . 1 1 28 28 GLU C C 28 178.394 178.394 178.577 -0.183 19002 516 1 2 . 1 1 28 28 GLU CA C 28 59.450 59.450 59.399 0.051 19002 517 1 2 . 1 1 28 28 GLU CB C 28 29.231 29.231 29.790 -0.559 19002 518 1 2 . 1 1 28 28 GLU H H 28 7.655 7.655 8.195 -0.540 19002 519 1 2 . 1 1 29 29 PHE N N 29 121.567 121.567 120.872 0.695 19002 520 1 2 . 1 1 29 29 PHE HA H 29 3.765 3.765 4.075 -0.310 19002 521 1 2 . 1 1 29 29 PHE C C 29 176.169 176.169 177.186 -1.017 19002 522 1 2 . 1 1 29 29 PHE CA C 29 61.371 61.371 60.481 0.890 19002 523 1 2 . 1 1 29 29 PHE CB C 29 37.588 37.588 38.226 -0.638 19002 524 1 2 . 1 1 29 29 PHE H H 29 8.471 8.471 8.380 0.091 19002 525 1 2 . 1 1 30 30 LYS N N 30 118.916 118.916 119.084 -0.168 19002 526 1 2 . 1 1 30 30 LYS HA H 30 3.137 3.137 3.312 -0.175 19002 527 1 2 . 1 1 30 30 LYS C C 30 179.445 179.445 178.881 0.564 19002 528 1 2 . 1 1 30 30 LYS CA C 30 60.346 60.346 59.819 0.527 19002 529 1 2 . 1 1 30 30 LYS CB C 30 31.992 31.992 31.940 0.052 19002 530 1 2 . 1 1 30 30 LYS H H 30 8.287 8.287 8.138 0.149 19002 531 1 2 . 1 1 31 31 LYS N N 31 120.113 120.113 119.479 0.634 19002 532 1 2 . 1 1 31 31 LYS HA H 31 4.018 4.018 3.908 0.110 19002 533 1 2 . 1 1 31 31 LYS C C 31 179.918 179.918 179.385 0.533 19002 534 1 2 . 1 1 31 31 LYS CA C 31 59.700 59.700 59.605 0.095 19002 535 1 2 . 1 1 31 31 LYS CB C 31 32.300 32.300 32.220 0.080 19002 536 1 2 . 1 1 31 31 LYS H H 31 7.690 7.690 8.175 -0.485 19002 537 1 2 . 1 1 32 32 ARG N N 32 121.200 121.200 118.778 2.422 19002 538 1 2 . 1 1 32 32 ARG HA H 32 3.893 3.893 3.906 -0.013 19002 539 1 2 . 1 1 32 32 ARG C C 32 178.990 178.990 178.808 0.182 19002 540 1 2 . 1 1 32 32 ARG CA C 32 59.452 59.452 59.275 0.177 19002 541 1 2 . 1 1 32 32 ARG CB C 32 31.284 31.284 30.086 1.198 19002 542 1 2 . 1 1 32 32 ARG H H 32 8.299 8.299 8.506 -0.207 19002 543 1 2 . 1 1 33 33 ARG N N 33 120.223 120.223 120.741 -0.518 19002 544 1 2 . 1 1 33 33 ARG HA H 33 3.698 3.698 4.082 -0.384 19002 545 1 2 . 1 1 33 33 ARG C C 33 178.697 178.697 177.863 0.834 19002 546 1 2 . 1 1 33 33 ARG CA C 33 59.607 59.607 59.370 0.237 19002 547 1 2 . 1 1 33 33 ARG CB C 33 29.570 29.570 29.854 -0.284 19002 548 1 2 . 1 1 33 33 ARG H H 33 8.704 8.704 8.458 0.246 19002 549 1 2 . 1 1 34 34 GLU N N 34 119.860 119.860 119.399 0.461 19002 550 1 2 . 1 1 34 34 GLU HA H 34 4.046 4.046 4.000 0.046 19002 551 1 2 . 1 1 34 34 GLU C C 34 179.850 179.850 179.290 0.560 19002 552 1 2 . 1 1 34 34 GLU CA C 34 59.210 59.210 59.333 -0.123 19002 553 1 2 . 1 1 34 34 GLU CB C 34 29.380 29.380 29.297 0.082 19002 554 1 2 . 1 1 34 34 GLU H H 34 7.941 7.941 8.471 -0.530 19002 555 1 2 . 1 1 35 35 SER N N 35 115.261 115.261 115.348 -0.087 19002 556 1 2 . 1 1 35 35 SER HA H 35 4.378 4.378 4.258 0.120 19002 557 1 2 . 1 1 35 35 SER C C 35 175.339 175.339 175.650 -0.311 19002 558 1 2 . 1 1 35 35 SER CA C 35 60.068 60.068 60.570 -0.502 19002 559 1 2 . 1 1 35 35 SER CB C 35 63.321 63.321 63.217 0.104 19002 560 1 2 . 1 1 35 35 SER H H 35 7.813 7.813 7.981 -0.168 19002 561 1 2 . 1 1 36 36 ARG N N 36 119.557 119.557 119.655 -0.098 19002 562 1 2 . 1 1 36 36 ARG HA H 36 4.439 4.439 4.495 -0.056 19002 563 1 2 . 1 1 36 36 ARG C C 36 177.524 177.524 175.787 1.737 19002 564 1 2 . 1 1 36 36 ARG CA C 36 55.794 55.794 54.573 1.221 19002 565 1 2 . 1 1 36 36 ARG CB C 36 30.276 30.276 30.494 -0.218 19002 566 1 2 . 1 1 36 36 ARG H H 36 7.459 7.459 7.209 0.250 19002 567 1 2 . 1 1 37 37 GLY N N 37 109.722 109.722 106.980 2.742 19002 568 1 2 . 1 1 37 37 GLY C C 37 175.117 175.117 175.337 -0.220 19002 569 1 2 . 1 1 37 37 GLY CA C 37 46.691 46.691 45.559 1.132 19002 570 1 2 . 1 1 37 37 GLY H H 37 7.981 7.981 7.880 0.101 19002 571 1 2 . 1 1 38 38 GLY N N 38 104.904 104.904 106.517 -1.613 19002 572 1 2 . 1 1 38 38 GLY C C 38 174.489 174.489 175.274 -0.785 19002 573 1 2 . 1 1 38 38 GLY CA C 38 45.012 45.012 45.017 -0.005 19002 574 1 2 . 1 1 38 38 GLY H H 38 8.271 8.271 8.622 -0.351 19002 575 1 2 . 1 1 39 39 LYS N N 39 122.169 122.169 123.167 -0.998 19002 576 1 2 . 1 1 39 39 LYS HA H 39 4.515 4.515 4.453 0.062 19002 577 1 2 . 1 1 39 39 LYS C C 39 174.995 174.995 175.146 -0.151 19002 578 1 2 . 1 1 39 39 LYS CA C 39 55.622 55.622 55.758 -0.136 19002 579 1 2 . 1 1 39 39 LYS CB C 39 30.846 30.846 31.359 -0.513 19002 580 1 2 . 1 1 39 39 LYS H H 39 7.471 7.471 7.551 -0.080 19002 581 1 2 . 1 1 40 40 TYR N N 40 123.749 123.749 122.310 1.439 19002 582 1 2 . 1 1 40 40 TYR HA H 40 4.893 4.893 4.716 0.177 19002 583 1 2 . 1 1 40 40 TYR C C 40 173.883 173.883 174.035 -0.152 19002 584 1 2 . 1 1 40 40 TYR CA C 40 58.629 58.629 57.037 1.592 19002 585 1 2 . 1 1 40 40 TYR CB C 40 40.871 40.871 40.845 0.026 19002 586 1 2 . 1 1 40 40 TYR H H 40 7.687 7.687 8.269 -0.582 19002 587 1 2 . 1 1 41 41 SER N N 41 124.561 124.561 121.893 2.668 19002 588 1 2 . 1 1 41 41 SER HA H 41 5.061 5.061 4.877 0.184 19002 589 1 2 . 1 1 41 41 SER C C 41 175.258 175.258 174.680 0.578 19002 590 1 2 . 1 1 41 41 SER CA C 41 56.913 56.913 57.377 -0.464 19002 591 1 2 . 1 1 41 41 SER CB C 41 67.136 67.136 64.538 2.598 19002 592 1 2 . 1 1 41 41 SER H H 41 9.246 9.246 8.822 0.424 19002 593 1 2 . 1 1 42 42 ILE N N 42 122.298 122.298 121.951 0.347 19002 594 1 2 . 1 1 42 42 ILE HA H 42 3.384 3.384 3.119 0.265 19002 595 1 2 . 1 1 42 42 ILE C C 42 176.573 176.573 176.317 0.256 19002 596 1 2 . 1 1 42 42 ILE CA C 42 63.317 63.317 63.780 -0.463 19002 597 1 2 . 1 1 42 42 ILE CB C 42 37.290 37.290 37.835 -0.545 19002 598 1 2 . 1 1 42 42 ILE H H 42 8.848 8.848 8.660 0.188 19002 599 1 2 . 1 1 43 43 ASP N N 43 118.987 118.987 120.519 -1.532 19002 600 1 2 . 1 1 43 43 ASP HA H 43 4.317 4.317 4.193 0.124 19002 601 1 2 . 1 1 43 43 ASP C C 43 178.940 178.940 177.607 1.333 19002 602 1 2 . 1 1 43 43 ASP CA C 43 57.809 57.809 58.290 -0.481 19002 603 1 2 . 1 1 43 43 ASP CB C 43 40.722 40.722 40.217 0.505 19002 604 1 2 . 1 1 43 43 ASP H H 43 7.673 7.673 8.067 -0.394 19002 605 1 2 . 1 1 44 44 ASP N N 44 121.961 121.961 120.033 1.928 19002 606 1 2 . 1 1 44 44 ASP HA H 44 4.259 4.259 4.247 0.012 19002 607 1 2 . 1 1 44 44 ASP C C 44 177.564 177.564 178.159 -0.595 19002 608 1 2 . 1 1 44 44 ASP CA C 44 57.624 57.624 57.792 -0.168 19002 609 1 2 . 1 1 44 44 ASP CB C 44 41.244 41.244 40.397 0.847 19002 610 1 2 . 1 1 44 44 ASP H H 44 7.610 7.610 8.008 -0.398 19002 611 1 2 . 1 1 45 45 TYR N N 45 121.352 121.352 122.134 -0.782 19002 612 1 2 . 1 1 45 45 TYR HA H 45 4.676 4.676 4.394 0.282 19002 613 1 2 . 1 1 45 45 TYR C C 45 177.362 177.362 178.010 -0.648 19002 614 1 2 . 1 1 45 45 TYR CA C 45 60.703 60.703 61.314 -0.611 19002 615 1 2 . 1 1 45 45 TYR CB C 45 38.747 38.747 38.608 0.139 19002 616 1 2 . 1 1 45 45 TYR H H 45 7.750 7.750 7.389 0.361 19002 617 1 2 . 1 1 46 46 LEU N N 46 118.650 118.650 118.736 -0.086 19002 618 1 2 . 1 1 46 46 LEU HA H 46 3.697 3.697 3.793 -0.096 19002 619 1 2 . 1 1 46 46 LEU C C 46 179.850 179.850 179.041 0.809 19002 620 1 2 . 1 1 46 46 LEU CA C 46 57.807 57.807 57.459 0.348 19002 621 1 2 . 1 1 46 46 LEU CB C 46 41.205 41.205 41.311 -0.106 19002 622 1 2 . 1 1 46 46 LEU H H 46 8.544 8.544 8.832 -0.288 19002 623 1 2 . 1 1 47 47 ALA N N 47 121.991 121.991 121.923 0.068 19002 624 1 2 . 1 1 47 47 ALA HA H 47 4.190 4.190 3.926 0.264 19002 625 1 2 . 1 1 47 47 ALA C C 47 180.457 180.457 179.059 1.398 19002 626 1 2 . 1 1 47 47 ALA CA C 47 55.048 55.048 55.106 -0.058 19002 627 1 2 . 1 1 47 47 ALA CB C 47 18.337 18.337 18.191 0.146 19002 628 1 2 . 1 1 47 47 ALA H H 47 7.716 7.716 8.109 -0.393 19002 629 1 2 . 1 1 48 48 ASP N N 48 120.788 120.788 118.168 2.620 19002 630 1 2 . 1 1 48 48 ASP HA H 48 4.505 4.505 4.380 0.125 19002 631 1 2 . 1 1 48 48 ASP C C 48 178.596 178.596 177.809 0.787 19002 632 1 2 . 1 1 48 48 ASP CA C 48 57.361 57.361 56.736 0.625 19002 633 1 2 . 1 1 48 48 ASP CB C 48 40.076 40.076 41.055 -0.979 19002 634 1 2 . 1 1 48 48 ASP H H 48 8.316 8.316 7.727 0.589 19002 635 1 2 . 1 1 49 49 ARG N N 49 120.274 120.274 120.569 -0.295 19002 636 1 2 . 1 1 49 49 ARG HA H 49 3.952 3.952 3.714 0.238 19002 637 1 2 . 1 1 49 49 ARG C C 49 178.454 178.454 178.246 0.208 19002 638 1 2 . 1 1 49 49 ARG CA C 49 58.133 58.133 59.314 -1.181 19002 639 1 2 . 1 1 49 49 ARG CB C 49 29.231 29.231 30.031 -0.800 19002 640 1 2 . 1 1 49 49 ARG H H 49 8.459 8.459 8.337 0.122 19002 641 1 2 . 1 1 50 50 GLU N N 50 118.834 118.834 117.393 1.441 19002 642 1 2 . 1 1 50 50 GLU HA H 50 4.101 4.101 3.999 0.102 19002 643 1 2 . 1 1 50 50 GLU C C 50 178.353 178.353 179.201 -0.848 19002 644 1 2 . 1 1 50 50 GLU CA C 50 58.928 58.928 59.475 -0.547 19002 645 1 2 . 1 1 50 50 GLU CB C 50 29.530 29.530 29.053 0.477 19002 646 1 2 . 1 1 50 50 GLU H H 50 7.734 7.734 8.298 -0.564 19002 647 1 2 . 1 1 51 51 ARG N N 51 119.239 119.239 118.335 0.904 19002 648 1 2 . 1 1 51 51 ARG HA H 51 4.240 4.240 4.105 0.135 19002 649 1 2 . 1 1 51 51 ARG C C 51 178.370 178.370 178.763 -0.393 19002 650 1 2 . 1 1 51 51 ARG CA C 51 58.105 58.105 58.897 -0.792 19002 651 1 2 . 1 1 51 51 ARG CB C 51 30.649 30.649 30.303 0.346 19002 652 1 2 . 1 1 51 51 ARG H H 51 7.694 7.694 7.240 0.454 19002 653 1 2 . 1 1 52 52 GLU N N 52 119.667 119.667 119.707 -0.040 19002 654 1 2 . 1 1 52 52 GLU HA H 52 4.099 4.099 3.995 0.104 19002 655 1 2 . 1 1 52 52 GLU C C 52 178.370 178.370 179.083 -0.713 19002 656 1 2 . 1 1 52 52 GLU CA C 52 58.538 58.538 59.305 -0.767 19002 657 1 2 . 1 1 52 52 GLU CB C 52 29.661 29.661 28.984 0.677 19002 658 1 2 . 1 1 52 52 GLU H H 52 8.299 8.299 8.626 -0.327 19002 659 1 2 . 1 1 53 53 GLU N N 53 119.152 119.152 118.273 0.879 19002 660 1 2 . 1 1 53 53 GLU HA H 53 4.210 4.210 3.962 0.248 19002 661 1 2 . 1 1 53 53 GLU C C 53 177.740 177.740 179.056 -1.316 19002 662 1 2 . 1 1 53 53 GLU CA C 53 58.172 58.172 59.425 -1.253 19002 663 1 2 . 1 1 53 53 GLU CB C 53 29.530 29.530 29.256 0.274 19002 664 1 2 . 1 1 53 53 GLU H H 53 8.098 8.098 8.355 -0.257 19002 665 1 2 . 1 1 54 54 GLU N N 54 120.097 120.097 119.183 0.914 19002 666 1 2 . 1 1 54 54 GLU HA H 54 4.212 4.212 4.137 0.075 19002 667 1 2 . 1 1 54 54 GLU C C 54 177.443 177.443 178.216 -0.773 19002 668 1 2 . 1 1 54 54 GLU CA C 54 58.081 58.081 58.806 -0.725 19002 669 1 2 . 1 1 54 54 GLU CB C 54 29.788 29.788 29.441 0.347 19002 670 1 2 . 1 1 54 54 GLU H H 54 7.968 7.968 7.605 0.363 19002 671 1 2 . 1 1 55 55 LEU N N 55 120.563 120.563 117.905 2.658 19002 672 1 2 . 1 1 55 55 LEU HA H 55 4.288 4.288 4.292 -0.004 19002 673 1 2 . 1 1 55 55 LEU C C 55 177.735 177.735 178.677 -0.942 19002 674 1 2 . 1 1 55 55 LEU CA C 55 56.070 56.070 55.953 0.117 19002 675 1 2 . 1 1 55 55 LEU CB C 55 42.062 42.062 42.404 -0.342 19002 676 1 2 . 1 1 55 55 LEU H H 55 7.905 7.905 7.687 0.218 19002 677 1 2 . 1 1 56 56 LEU N N 56 121.250 121.250 119.025 2.225 19002 678 1 2 . 1 1 56 56 LEU HA H 56 4.312 4.312 4.169 0.143 19002 679 1 2 . 1 1 56 56 LEU C C 56 177.726 177.726 177.958 -0.232 19002 680 1 2 . 1 1 56 56 LEU CA C 56 55.979 55.979 57.187 -1.208 19002 681 1 2 . 1 1 56 56 LEU CB C 56 42.635 42.635 42.361 0.274 19002 682 1 2 . 1 1 56 56 LEU H H 56 7.859 7.859 8.155 -0.296 19002 683 1 2 . 1 1 57 57 GLU N N 57 120.632 120.632 118.583 2.049 19002 684 1 2 . 1 1 57 57 GLU HA H 57 4.283 4.283 4.318 -0.035 19002 685 1 2 . 1 1 57 57 GLU C C 57 176.553 176.553 175.537 1.016 19002 686 1 2 . 1 1 57 57 GLU CA C 57 57.076 57.076 56.303 0.773 19002 687 1 2 . 1 1 57 57 GLU CB C 57 30.052 30.052 28.106 1.946 19002 688 1 2 . 1 1 57 57 GLU H H 57 8.153 8.153 7.781 0.372 19002 689 1 2 . 1 1 58 58 ARG N N 58 121.282 121.282 120.862 0.420 19002 690 1 2 . 1 1 58 58 ARG HA H 58 4.372 4.372 4.636 -0.264 19002 691 1 2 . 1 1 58 58 ARG C C 58 176.169 176.169 176.202 -0.033 19002 692 1 2 . 1 1 58 58 ARG CA C 58 56.344 56.344 55.059 1.285 19002 693 1 2 . 1 1 58 58 ARG CB C 58 31.102 31.102 32.867 -1.765 19002 694 1 2 . 1 1 58 58 ARG H H 58 8.146 8.146 7.906 0.240 19002 695 1 2 . 1 1 59 59 ASP N N 59 121.619 121.619 125.197 -3.578 19002 696 1 2 . 1 1 59 59 ASP HA H 59 4.639 4.639 4.472 0.167 19002 697 1 2 . 1 1 59 59 ASP C C 59 176.553 176.553 176.679 -0.126 19002 698 1 2 . 1 1 59 59 ASP CA C 59 54.768 54.768 56.946 -2.178 19002 699 1 2 . 1 1 59 59 ASP CB C 59 41.256 41.256 41.048 0.208 19002 700 1 2 . 1 1 59 59 ASP H H 59 8.386 8.386 9.008 -0.622 19002 701 1 2 . 1 1 60 60 GLU N N 60 121.214 121.214 115.768 5.446 19002 702 1 2 . 1 1 60 60 GLU HA H 60 4.273 4.273 4.199 0.074 19002 703 1 2 . 1 1 60 60 GLU C C 60 176.876 176.876 177.793 -0.917 19002 704 1 2 . 1 1 60 60 GLU CA C 60 57.361 57.361 57.381 -0.020 19002 705 1 2 . 1 1 60 60 GLU CB C 60 30.425 30.425 28.989 1.436 19002 706 1 2 . 1 1 60 60 GLU H H 60 8.372 8.372 8.354 0.018 19002 707 1 2 . 1 1 61 61 GLU N N 61 121.077 121.077 120.413 0.664 19002 708 1 2 . 1 1 61 61 GLU HA H 61 4.210 4.210 4.324 -0.114 19002 709 1 2 . 1 1 61 61 GLU C C 61 176.832 176.832 176.906 -0.074 19002 710 1 2 . 1 1 61 61 GLU CA C 61 57.734 57.734 58.017 -0.283 19002 711 1 2 . 1 1 61 61 GLU CB C 61 30.425 30.425 30.602 -0.176 19002 712 1 2 . 1 1 61 61 GLU H H 61 8.384 8.384 7.937 0.447 19002 713 1 2 . 1 1 62 62 GLU N N 62 121.155 121.155 117.181 3.974 19002 714 1 2 . 1 1 62 62 GLU HA H 62 4.249 4.249 3.899 0.350 19002 715 1 2 . 1 1 62 62 GLU C C 62 176.432 176.432 175.146 1.286 19002 716 1 2 . 1 1 62 62 GLU CA C 62 57.137 57.137 55.138 1.999 19002 717 1 2 . 1 1 62 62 GLU CB C 62 30.425 30.425 32.125 -1.700 19002 718 1 2 . 1 1 62 62 GLU H H 62 8.300 8.300 7.658 0.642 19002 719 1 2 . 1 1 63 63 ALA N N 63 124.607 124.607 123.560 1.047 19002 720 1 2 . 1 1 63 63 ALA HA H 63 4.293 4.293 3.989 0.304 19002 721 1 2 . 1 1 63 63 ALA C C 63 177.483 177.483 176.825 0.658 19002 722 1 2 . 1 1 63 63 ALA CA C 63 52.915 52.915 52.619 0.296 19002 723 1 2 . 1 1 63 63 ALA CB C 63 19.070 19.070 16.895 2.175 19002 724 1 2 . 1 1 63 63 ALA H H 63 8.178 8.178 8.532 -0.354 19002 725 1 2 . 1 1 64 64 ILE N N 64 118.941 118.941 119.576 -0.635 19002 726 1 2 . 1 1 64 64 ILE HA H 64 4.076 4.076 4.031 0.045 19002 727 1 2 . 1 1 64 64 ILE C C 64 176.047 176.047 176.913 -0.866 19002 728 1 2 . 1 1 64 64 ILE CA C 64 61.342 61.342 62.567 -1.225 19002 729 1 2 . 1 1 64 64 ILE CB C 64 38.700 38.700 38.706 -0.006 19002 730 1 2 . 1 1 64 64 ILE H H 64 7.872 7.872 7.995 -0.123 19002 731 1 2 . 1 1 65 65 PHE N N 65 122.809 122.809 117.181 5.628 19002 732 1 2 . 1 1 65 65 PHE HA H 65 4.615 4.615 4.914 -0.299 19002 733 1 2 . 1 1 65 65 PHE C C 65 176.270 176.270 176.201 0.069 19002 734 1 2 . 1 1 65 65 PHE CA C 65 57.807 57.807 57.345 0.462 19002 735 1 2 . 1 1 65 65 PHE CB C 65 39.827 39.827 39.027 0.800 19002 736 1 2 . 1 1 65 65 PHE H H 65 8.188 8.188 7.852 0.336 19002 737 1 2 . 1 1 66 66 GLY N N 66 110.278 110.278 108.757 1.521 19002 738 1 2 . 1 1 66 66 GLY C C 66 173.802 173.802 172.866 0.936 19002 739 1 2 . 1 1 66 66 GLY CA C 66 45.391 45.391 44.831 0.560 19002 740 1 2 . 1 1 66 66 GLY H H 66 8.213 8.213 7.353 0.860 19002 741 1 2 . 1 1 67 67 ASP N N 67 120.510 120.510 119.713 0.797 19002 742 1 2 . 1 1 67 67 ASP HA H 67 4.599 4.599 4.607 -0.008 19002 743 1 2 . 1 1 67 67 ASP C C 67 176.897 176.897 176.301 0.596 19002 744 1 2 . 1 1 67 67 ASP CA C 67 54.425 54.425 54.839 -0.414 19002 745 1 2 . 1 1 67 67 ASP CB C 67 41.265 41.265 41.675 -0.410 19002 746 1 2 . 1 1 67 67 ASP H H 67 8.254 8.254 8.353 -0.099 19002 747 1 2 . 1 1 68 68 GLY N N 68 108.789 108.789 105.724 3.065 19002 748 1 2 . 1 1 68 68 GLY C C 68 174.307 174.307 172.578 1.729 19002 749 1 2 . 1 1 68 68 GLY CA C 68 46.020 46.020 44.257 1.763 19002 750 1 2 . 1 1 68 68 GLY H H 68 8.342 8.342 7.424 0.918 19002 751 1 2 . 1 1 69 69 PHE N N 69 119.903 119.903 113.746 6.157 19002 752 1 2 . 1 1 69 69 PHE HA H 69 4.599 4.599 4.966 -0.367 19002 753 1 2 . 1 1 69 69 PHE C C 69 176.432 176.432 175.874 0.558 19002 754 1 2 . 1 1 69 69 PHE CA C 69 58.146 58.146 57.199 0.947 19002 755 1 2 . 1 1 69 69 PHE CB C 69 39.339 39.339 40.446 -1.107 19002 756 1 2 . 1 1 69 69 PHE H H 69 8.178 8.178 7.902 0.276 19002 757 1 2 . 1 1 70 70 GLY N N 70 110.089 110.089 111.134 -1.045 19002 758 1 2 . 1 1 70 70 GLY C C 70 174.227 174.227 173.827 0.400 19002 759 1 2 . 1 1 70 70 GLY CA C 70 45.628 45.628 44.687 0.941 19002 760 1 2 . 1 1 70 70 GLY H H 70 8.382 8.382 8.379 0.003 19002 761 1 2 . 1 1 71 71 LEU N N 71 121.600 121.600 121.783 -0.183 19002 762 1 2 . 1 1 71 71 LEU HA H 71 4.290 4.290 4.432 -0.142 19002 763 1 2 . 1 1 71 71 LEU C C 71 177.645 177.645 176.142 1.503 19002 764 1 2 . 1 1 71 71 LEU CA C 71 55.500 55.500 53.839 1.661 19002 765 1 2 . 1 1 71 71 LEU CB C 71 42.400 42.400 40.167 2.233 19002 766 1 2 . 1 1 71 71 LEU H H 71 8.069 8.069 7.588 0.481 19002 767 1 2 . 1 1 72 72 LYS N N 72 121.214 121.214 119.552 1.662 19002 768 1 2 . 1 1 72 72 LYS HA H 72 4.283 4.283 3.898 0.385 19002 769 1 2 . 1 1 72 72 LYS C C 72 176.553 176.553 175.026 1.527 19002 770 1 2 . 1 1 72 72 LYS CA C 72 56.594 56.594 56.895 -0.301 19002 771 1 2 . 1 1 72 72 LYS CB C 72 32.765 32.765 30.093 2.672 19002 772 1 2 . 1 1 72 72 LYS H H 72 8.372 8.372 8.072 0.300 19002 773 1 2 . 1 1 73 73 ALA N N 73 124.187 124.187 122.332 1.855 19002 774 1 2 . 1 1 73 73 ALA HA H 73 4.347 4.347 4.614 -0.267 19002 775 1 2 . 1 1 73 73 ALA C C 73 178.009 178.009 177.274 0.735 19002 776 1 2 . 1 1 73 73 ALA CA C 73 52.597 52.597 51.589 1.008 19002 777 1 2 . 1 1 73 73 ALA CB C 73 19.239 19.239 21.218 -1.979 19002 778 1 2 . 1 1 73 73 ALA H H 73 8.188 8.188 7.901 0.287 19002 779 1 2 . 1 1 74 74 THR N N 74 112.973 112.973 113.100 -0.127 19002 780 1 2 . 1 1 74 74 THR HA H 74 4.339 4.339 4.588 -0.249 19002 781 1 2 . 1 1 74 74 THR C C 74 174.753 174.753 174.608 0.145 19002 782 1 2 . 1 1 74 74 THR CA C 74 62.046 62.046 61.569 0.477 19002 783 1 2 . 1 1 74 74 THR CB C 74 69.779 69.779 70.003 -0.224 19002 784 1 2 . 1 1 74 74 THR H H 74 8.054 8.054 8.328 -0.274 19002 785 1 2 . 1 1 75 75 ARG N N 75 123.112 123.112 122.909 0.203 19002 786 1 2 . 1 1 75 75 ARG HA H 75 4.371 4.371 4.499 -0.128 19002 787 1 2 . 1 1 75 75 ARG C C 75 176.411 176.411 176.432 -0.021 19002 788 1 2 . 1 1 75 75 ARG CA C 75 56.801 56.801 55.313 1.488 19002 789 1 2 . 1 1 75 75 ARG CB C 75 30.798 30.798 30.813 -0.015 19002 790 1 2 . 1 1 75 75 ARG H H 75 8.296 8.296 8.606 -0.310 19002 791 1 2 . 1 1 76 76 ARG N N 76 121.977 121.977 122.923 -0.946 19002 792 1 2 . 1 1 76 76 ARG HA H 76 4.362 4.362 4.386 -0.024 19002 793 1 2 . 1 1 76 76 ARG C C 76 176.411 176.411 175.890 0.521 19002 794 1 2 . 1 1 76 76 ARG CA C 76 56.689 56.689 56.370 0.319 19002 795 1 2 . 1 1 76 76 ARG CB C 76 30.873 30.873 29.539 1.334 19002 796 1 2 . 1 1 76 76 ARG H H 76 8.360 8.360 7.894 0.466 19002 797 1 2 . 1 1 77 77 SER N N 77 116.981 116.981 119.550 -2.569 19002 798 1 2 . 1 1 77 77 SER HA H 77 4.483 4.483 4.738 -0.255 19002 799 1 2 . 1 1 77 77 SER C C 77 174.672 174.672 174.730 -0.058 19002 800 1 2 . 1 1 77 77 SER CA C 77 58.497 58.497 58.466 0.031 19002 801 1 2 . 1 1 77 77 SER CB C 77 63.839 63.839 63.562 0.278 19002 802 1 2 . 1 1 77 77 SER H H 77 8.325 8.325 8.252 0.073 19002 803 1 2 . 1 1 78 78 ARG N N 78 123.324 123.324 121.993 1.331 19002 804 1 2 . 1 1 78 78 ARG HA H 78 4.377 4.377 4.421 -0.044 19002 805 1 2 . 1 1 78 78 ARG C C 78 176.492 176.492 175.766 0.726 19002 806 1 2 . 1 1 78 78 ARG CA C 78 56.619 56.619 57.326 -0.707 19002 807 1 2 . 1 1 78 78 ARG CB C 78 30.873 30.873 30.506 0.367 19002 808 1 2 . 1 1 78 78 ARG H H 78 8.421 8.421 8.026 0.395 19002 809 1 2 . 1 1 79 79 LYS N N 79 122.352 122.352 119.023 3.329 19002 810 1 2 . 1 1 79 79 LYS HA H 79 4.266 4.266 4.528 -0.262 19002 811 1 2 . 1 1 79 79 LYS C C 79 176.472 176.472 176.152 0.320 19002 812 1 2 . 1 1 79 79 LYS CA C 79 57.076 57.076 56.102 0.974 19002 813 1 2 . 1 1 79 79 LYS CB C 79 33.186 33.186 32.695 0.491 19002 814 1 2 . 1 1 79 79 LYS H H 79 8.300 8.300 8.067 0.233 19002 815 1 2 . 1 1 80 80 ALA N N 80 124.816 124.816 122.954 1.862 19002 816 1 2 . 1 1 80 80 ALA HA H 80 4.308 4.308 4.313 -0.005 19002 817 1 2 . 1 1 80 80 ALA C C 80 177.787 177.787 179.028 -1.241 19002 818 1 2 . 1 1 80 80 ALA CA C 80 52.597 52.597 53.884 -1.287 19002 819 1 2 . 1 1 80 80 ALA CB C 80 19.180 19.180 18.910 0.270 19002 820 1 2 . 1 1 80 80 ALA H H 80 8.269 8.269 7.885 0.384 19002 821 1 2 . 1 1 81 81 GLU N N 81 120.243 120.243 117.899 2.344 19002 822 1 2 . 1 1 81 81 GLU HA H 81 4.278 4.278 4.100 0.178 19002 823 1 2 . 1 1 81 81 GLU C C 81 176.614 176.614 178.043 -1.429 19002 824 1 2 . 1 1 81 81 GLU CA C 81 56.893 56.893 58.267 -1.374 19002 825 1 2 . 1 1 81 81 GLU CB C 81 30.374 30.374 29.118 1.256 19002 826 1 2 . 1 1 81 81 GLU H H 81 8.283 8.283 8.486 -0.203 19002 827 1 2 . 1 1 82 82 ARG N N 82 121.743 121.743 121.239 0.504 19002 828 1 2 . 1 1 82 82 ARG HA H 82 4.378 4.378 4.312 0.066 19002 829 1 2 . 1 1 82 82 ARG C C 82 175.946 175.946 175.232 0.714 19002 830 1 2 . 1 1 82 82 ARG CA C 82 56.047 56.047 55.453 0.594 19002 831 1 2 . 1 1 82 82 ARG CB C 82 30.757 30.757 28.875 1.881 19002 832 1 2 . 1 1 82 82 ARG H H 82 8.256 8.256 7.988 0.268 19002 833 1 2 . 1 1 83 83 ALA N N 83 125.049 125.049 123.404 1.645 19002 834 1 2 . 1 1 83 83 ALA HA H 83 4.313 4.313 4.592 -0.279 19002 835 1 2 . 1 1 83 83 ALA C C 83 177.322 177.322 177.699 -0.377 19002 836 1 2 . 1 1 83 83 ALA CA C 83 52.872 52.872 52.311 0.561 19002 837 1 2 . 1 1 83 83 ALA CB C 83 19.239 19.239 20.256 -1.017 19002 838 1 2 . 1 1 83 83 ALA H H 83 8.241 8.241 7.804 0.437 19002 839 1 2 . 1 1 84 84 LYS N N 84 121.088 121.088 119.645 1.443 19002 840 1 2 . 1 1 84 84 LYS HA H 84 4.286 4.286 4.555 -0.269 19002 841 1 2 . 1 1 84 84 LYS C C 84 175.460 175.460 175.757 -0.297 19002 842 1 2 . 1 1 84 84 LYS CA C 84 56.316 56.316 55.885 0.431 19002 843 1 2 . 1 1 84 84 LYS CB C 84 32.923 32.923 32.424 0.499 19002 844 1 2 . 1 1 84 84 LYS H H 84 8.186 8.186 8.433 -0.247 19002 845 1 3 . 1 1 12 12 ARG N N 12 121.400 121.400 121.523 -0.123 19002 846 1 3 . 1 1 12 12 ARG HA H 12 4.640 4.640 4.755 -0.115 19002 847 1 3 . 1 1 12 12 ARG C C 12 174.242 174.242 174.743 -0.501 19002 848 1 3 . 1 1 12 12 ARG CA C 12 53.900 53.900 53.694 0.207 19002 849 1 3 . 1 1 12 12 ARG CB C 12 30.400 30.400 31.009 -0.609 19002 850 1 3 . 1 1 12 12 ARG H H 12 8.140 8.140 8.459 -0.319 19002 851 1 3 . 1 1 13 13 PRO HA H 13 4.457 4.457 4.443 0.014 19002 852 1 3 . 1 1 13 13 PRO C C 13 177.524 177.524 176.306 1.218 19002 853 1 3 . 1 1 13 13 PRO CA C 13 63.259 63.259 62.760 0.499 19002 854 1 3 . 1 1 13 13 PRO CB C 13 32.067 32.067 30.713 1.354 19002 855 1 3 . 1 1 14 14 GLY N N 14 109.192 109.192 112.179 -2.987 19002 856 1 3 . 1 1 14 14 GLY C C 14 174.227 174.227 175.466 -1.239 19002 857 1 3 . 1 1 14 14 GLY CA C 14 45.497 45.497 44.683 0.814 19002 858 1 3 . 1 1 14 14 GLY H H 14 8.467 8.467 8.133 0.334 19002 859 1 3 . 1 1 15 15 VAL N N 15 119.157 119.157 121.523 -2.366 19002 860 1 3 . 1 1 15 15 VAL HA H 15 4.081 4.081 3.921 0.160 19002 861 1 3 . 1 1 15 15 VAL C C 15 175.986 175.986 175.207 0.779 19002 862 1 3 . 1 1 15 15 VAL CA C 15 62.529 62.529 64.162 -1.633 19002 863 1 3 . 1 1 15 15 VAL CB C 15 32.491 32.491 32.039 0.452 19002 864 1 3 . 1 1 15 15 VAL H H 15 7.837 7.837 7.867 -0.030 19002 865 1 3 . 1 1 16 16 PHE N N 16 123.110 123.110 118.471 4.639 19002 866 1 3 . 1 1 16 16 PHE HA H 16 4.614 4.614 4.724 -0.110 19002 867 1 3 . 1 1 16 16 PHE C C 16 175.804 175.804 174.566 1.238 19002 868 1 3 . 1 1 16 16 PHE CA C 16 58.398 58.398 57.634 0.764 19002 869 1 3 . 1 1 16 16 PHE CB C 16 39.475 39.475 41.456 -1.981 19002 870 1 3 . 1 1 16 16 PHE H H 16 8.265 8.265 7.750 0.515 19002 871 1 3 . 1 1 17 17 ARG N N 17 122.074 122.074 122.774 -0.700 19002 872 1 3 . 1 1 17 17 ARG HA H 17 4.323 4.323 4.460 -0.137 19002 873 1 3 . 1 1 17 17 ARG C C 17 176.452 176.452 175.896 0.556 19002 874 1 3 . 1 1 17 17 ARG CA C 17 56.710 56.710 56.926 -0.216 19002 875 1 3 . 1 1 17 17 ARG CB C 17 30.937 30.937 30.445 0.492 19002 876 1 3 . 1 1 17 17 ARG H H 17 8.155 8.155 8.756 -0.601 19002 877 1 3 . 1 1 18 18 THR N N 18 114.223 114.223 109.010 5.213 19002 878 1 3 . 1 1 18 18 THR HA H 18 4.231 4.231 4.335 -0.104 19002 879 1 3 . 1 1 18 18 THR C C 18 174.348 174.348 173.803 0.545 19002 880 1 3 . 1 1 18 18 THR CA C 18 62.410 62.410 62.022 0.389 19002 881 1 3 . 1 1 18 18 THR CB C 18 69.509 69.509 70.450 -0.941 19002 882 1 3 . 1 1 18 18 THR H H 18 8.015 8.015 7.833 0.182 19002 883 1 3 . 1 1 19 19 ARG N N 19 120.957 120.957 122.048 -1.091 19002 884 1 3 . 1 1 19 19 ARG HA H 19 4.323 4.323 2.813 1.510 19002 885 1 3 . 1 1 19 19 ARG C C 19 175.986 175.986 175.526 0.460 19002 886 1 3 . 1 1 19 19 ARG CA C 19 56.093 56.093 55.448 0.645 19002 887 1 3 . 1 1 19 19 ARG CB C 19 30.480 30.480 28.555 1.925 19002 888 1 3 . 1 1 19 19 ARG H H 19 8.080 8.080 8.103 -0.023 19002 889 1 3 . 1 1 20 20 GLY N N 20 107.963 107.963 105.657 2.306 19002 890 1 3 . 1 1 20 20 GLY C C 20 173.802 173.802 173.433 0.369 19002 891 1 3 . 1 1 20 20 GLY CA C 20 45.273 45.273 45.151 0.122 19002 892 1 3 . 1 1 20 20 GLY H H 20 8.241 8.241 8.334 -0.093 19002 893 1 3 . 1 1 21 21 LEU N N 21 121.181 121.181 121.770 -0.589 19002 894 1 3 . 1 1 21 21 LEU HA H 21 4.770 4.770 4.490 0.280 19002 895 1 3 . 1 1 21 21 LEU C C 21 178.414 178.414 177.103 1.311 19002 896 1 3 . 1 1 21 21 LEU CA C 21 54.677 54.677 54.563 0.114 19002 897 1 3 . 1 1 21 21 LEU CB C 21 43.142 43.142 43.103 0.039 19002 898 1 3 . 1 1 21 21 LEU H H 21 7.967 7.967 7.914 0.053 19002 899 1 3 . 1 1 22 22 THR N N 22 114.494 114.494 117.457 -2.963 19002 900 1 3 . 1 1 22 22 THR HA H 22 4.558 4.558 4.388 0.170 19002 901 1 3 . 1 1 22 22 THR C C 22 175.359 175.359 175.305 0.054 19002 902 1 3 . 1 1 22 22 THR CA C 22 61.316 61.316 60.861 0.455 19002 903 1 3 . 1 1 22 22 THR CB C 22 71.015 71.015 70.379 0.636 19002 904 1 3 . 1 1 22 22 THR H H 22 9.075 9.075 8.264 0.811 19002 905 1 3 . 1 1 23 23 ASP N N 23 121.204 121.204 119.349 1.855 19002 906 1 3 . 1 1 23 23 ASP HA H 23 4.485 4.485 4.465 0.020 19002 907 1 3 . 1 1 23 23 ASP C C 23 178.697 178.697 177.784 0.913 19002 908 1 3 . 1 1 23 23 ASP CA C 23 58.315 58.315 57.469 0.846 19002 909 1 3 . 1 1 23 23 ASP CB C 23 39.931 39.931 40.744 -0.813 19002 910 1 3 . 1 1 23 23 ASP H H 23 8.943 8.943 8.832 0.111 19002 911 1 3 . 1 1 24 24 GLU N N 24 119.241 119.241 120.378 -1.137 19002 912 1 3 . 1 1 24 24 GLU HA H 24 4.199 4.199 4.233 -0.034 19002 913 1 3 . 1 1 24 24 GLU C C 24 179.911 179.911 178.641 1.270 19002 914 1 3 . 1 1 24 24 GLU CA C 24 59.973 59.973 59.484 0.489 19002 915 1 3 . 1 1 24 24 GLU CB C 24 29.306 29.306 29.482 -0.176 19002 916 1 3 . 1 1 24 24 GLU H H 24 8.741 8.741 7.776 0.965 19002 917 1 3 . 1 1 25 25 GLU N N 25 121.151 121.151 121.210 -0.059 19002 918 1 3 . 1 1 25 25 GLU HA H 25 4.200 4.200 4.215 -0.015 19002 919 1 3 . 1 1 25 25 GLU C C 25 178.394 178.394 179.170 -0.776 19002 920 1 3 . 1 1 25 25 GLU CA C 25 59.178 59.178 59.039 0.139 19002 921 1 3 . 1 1 25 25 GLU CB C 25 30.873 30.873 29.621 1.252 19002 922 1 3 . 1 1 25 25 GLU H H 25 7.801 7.801 7.755 0.046 19002 923 1 3 . 1 1 26 26 TYR N N 26 120.692 120.692 119.922 0.770 19002 924 1 3 . 1 1 26 26 TYR HA H 26 4.184 4.184 4.168 0.016 19002 925 1 3 . 1 1 26 26 TYR C C 26 177.483 177.483 177.392 0.091 19002 926 1 3 . 1 1 26 26 TYR CA C 26 61.924 61.924 61.522 0.402 19002 927 1 3 . 1 1 26 26 TYR CB C 26 37.837 37.837 38.702 -0.865 19002 928 1 3 . 1 1 26 26 TYR H H 26 8.897 8.897 8.676 0.221 19002 929 1 3 . 1 1 27 27 ASP N N 27 118.898 118.898 119.358 -0.460 19002 930 1 3 . 1 1 27 27 ASP HA H 27 4.338 4.338 4.263 0.075 19002 931 1 3 . 1 1 27 27 ASP C C 27 178.535 178.535 178.143 0.392 19002 932 1 3 . 1 1 27 27 ASP CA C 27 57.864 57.864 57.926 -0.062 19002 933 1 3 . 1 1 27 27 ASP CB C 27 40.797 40.797 40.781 0.016 19002 934 1 3 . 1 1 27 27 ASP H H 27 8.135 8.135 7.779 0.356 19002 935 1 3 . 1 1 28 28 GLU N N 28 121.020 121.020 120.562 0.458 19002 936 1 3 . 1 1 28 28 GLU HA H 28 4.101 4.101 4.030 0.071 19002 937 1 3 . 1 1 28 28 GLU C C 28 178.394 178.394 178.435 -0.041 19002 938 1 3 . 1 1 28 28 GLU CA C 28 59.450 59.450 59.005 0.445 19002 939 1 3 . 1 1 28 28 GLU CB C 28 29.231 29.231 29.367 -0.136 19002 940 1 3 . 1 1 28 28 GLU H H 28 7.655 7.655 8.226 -0.571 19002 941 1 3 . 1 1 29 29 PHE N N 29 121.567 121.567 120.456 1.111 19002 942 1 3 . 1 1 29 29 PHE HA H 29 3.765 3.765 3.798 -0.033 19002 943 1 3 . 1 1 29 29 PHE C C 29 176.169 176.169 177.033 -0.864 19002 944 1 3 . 1 1 29 29 PHE CA C 29 61.371 61.371 60.543 0.828 19002 945 1 3 . 1 1 29 29 PHE CB C 29 37.588 37.588 38.366 -0.778 19002 946 1 3 . 1 1 29 29 PHE H H 29 8.471 8.471 8.011 0.460 19002 947 1 3 . 1 1 30 30 LYS N N 30 118.916 118.916 119.553 -0.637 19002 948 1 3 . 1 1 30 30 LYS HA H 30 3.137 3.137 3.376 -0.239 19002 949 1 3 . 1 1 30 30 LYS C C 30 179.445 179.445 178.794 0.651 19002 950 1 3 . 1 1 30 30 LYS CA C 30 60.346 60.346 59.921 0.425 19002 951 1 3 . 1 1 30 30 LYS CB C 30 31.992 31.992 31.963 0.029 19002 952 1 3 . 1 1 30 30 LYS H H 30 8.287 8.287 8.135 0.152 19002 953 1 3 . 1 1 31 31 LYS N N 31 120.113 120.113 119.024 1.089 19002 954 1 3 . 1 1 31 31 LYS HA H 31 4.018 4.018 3.899 0.119 19002 955 1 3 . 1 1 31 31 LYS C C 31 179.918 179.918 179.272 0.646 19002 956 1 3 . 1 1 31 31 LYS CA C 31 59.700 59.700 59.749 -0.049 19002 957 1 3 . 1 1 31 31 LYS CB C 31 32.300 32.300 32.230 0.070 19002 958 1 3 . 1 1 31 31 LYS H H 31 7.690 7.690 8.230 -0.540 19002 959 1 3 . 1 1 32 32 ARG N N 32 121.200 121.200 118.021 3.179 19002 960 1 3 . 1 1 32 32 ARG HA H 32 3.893 3.893 3.806 0.087 19002 961 1 3 . 1 1 32 32 ARG C C 32 178.990 178.990 178.847 0.143 19002 962 1 3 . 1 1 32 32 ARG CA C 32 59.452 59.452 59.602 -0.150 19002 963 1 3 . 1 1 32 32 ARG CB C 32 31.284 31.284 30.073 1.211 19002 964 1 3 . 1 1 32 32 ARG H H 32 8.299 8.299 8.313 -0.014 19002 965 1 3 . 1 1 33 33 ARG N N 33 120.223 120.223 120.447 -0.224 19002 966 1 3 . 1 1 33 33 ARG HA H 33 3.698 3.698 3.973 -0.275 19002 967 1 3 . 1 1 33 33 ARG C C 33 178.697 178.697 177.789 0.908 19002 968 1 3 . 1 1 33 33 ARG CA C 33 59.607 59.607 59.235 0.372 19002 969 1 3 . 1 1 33 33 ARG CB C 33 29.570 29.570 29.765 -0.195 19002 970 1 3 . 1 1 33 33 ARG H H 33 8.704 8.704 8.348 0.356 19002 971 1 3 . 1 1 34 34 GLU N N 34 119.860 119.860 119.234 0.626 19002 972 1 3 . 1 1 34 34 GLU HA H 34 4.046 4.046 3.972 0.074 19002 973 1 3 . 1 1 34 34 GLU C C 34 179.850 179.850 179.379 0.471 19002 974 1 3 . 1 1 34 34 GLU CA C 34 59.210 59.210 59.395 -0.185 19002 975 1 3 . 1 1 34 34 GLU CB C 34 29.380 29.380 29.312 0.068 19002 976 1 3 . 1 1 34 34 GLU H H 34 7.941 7.941 8.466 -0.525 19002 977 1 3 . 1 1 35 35 SER N N 35 115.261 115.261 115.863 -0.602 19002 978 1 3 . 1 1 35 35 SER HA H 35 4.378 4.378 4.247 0.131 19002 979 1 3 . 1 1 35 35 SER C C 35 175.339 175.339 176.072 -0.733 19002 980 1 3 . 1 1 35 35 SER CA C 35 60.068 60.068 60.579 -0.511 19002 981 1 3 . 1 1 35 35 SER CB C 35 63.321 63.321 63.066 0.255 19002 982 1 3 . 1 1 35 35 SER H H 35 7.813 7.813 7.816 -0.003 19002 983 1 3 . 1 1 36 36 ARG N N 36 119.557 119.557 119.384 0.173 19002 984 1 3 . 1 1 36 36 ARG HA H 36 4.439 4.439 4.428 0.011 19002 985 1 3 . 1 1 36 36 ARG C C 36 177.524 177.524 176.010 1.514 19002 986 1 3 . 1 1 36 36 ARG CA C 36 55.794 55.794 54.911 0.883 19002 987 1 3 . 1 1 36 36 ARG CB C 36 30.276 30.276 30.314 -0.038 19002 988 1 3 . 1 1 36 36 ARG H H 36 7.459 7.459 7.351 0.108 19002 989 1 3 . 1 1 37 37 GLY N N 37 109.722 109.722 106.387 3.335 19002 990 1 3 . 1 1 37 37 GLY C C 37 175.117 175.117 174.987 0.130 19002 991 1 3 . 1 1 37 37 GLY CA C 37 46.691 46.691 45.403 1.288 19002 992 1 3 . 1 1 37 37 GLY H H 37 7.981 7.981 8.168 -0.187 19002 993 1 3 . 1 1 38 38 GLY N N 38 104.904 104.904 106.246 -1.342 19002 994 1 3 . 1 1 38 38 GLY C C 38 174.489 174.489 175.143 -0.654 19002 995 1 3 . 1 1 38 38 GLY CA C 38 45.012 45.012 44.977 0.035 19002 996 1 3 . 1 1 38 38 GLY H H 38 8.271 8.271 8.590 -0.319 19002 997 1 3 . 1 1 39 39 LYS N N 39 122.169 122.169 122.940 -0.771 19002 998 1 3 . 1 1 39 39 LYS HA H 39 4.515 4.515 4.443 0.072 19002 999 1 3 . 1 1 39 39 LYS C C 39 174.995 174.995 174.990 0.005 19002 1000 1 3 . 1 1 39 39 LYS CA C 39 55.622 55.622 55.595 0.027 19002 1001 1 3 . 1 1 39 39 LYS CB C 39 30.846 30.846 31.757 -0.911 19002 1002 1 3 . 1 1 39 39 LYS H H 39 7.471 7.471 7.536 -0.065 19002 1003 1 3 . 1 1 40 40 TYR N N 40 123.749 123.749 123.344 0.405 19002 1004 1 3 . 1 1 40 40 TYR HA H 40 4.893 4.893 4.708 0.185 19002 1005 1 3 . 1 1 40 40 TYR C C 40 173.883 173.883 173.726 0.157 19002 1006 1 3 . 1 1 40 40 TYR CA C 40 58.629 58.629 57.110 1.519 19002 1007 1 3 . 1 1 40 40 TYR CB C 40 40.871 40.871 40.446 0.425 19002 1008 1 3 . 1 1 40 40 TYR H H 40 7.687 7.687 7.872 -0.185 19002 1009 1 3 . 1 1 41 41 SER N N 41 124.561 124.561 121.966 2.595 19002 1010 1 3 . 1 1 41 41 SER HA H 41 5.061 5.061 4.668 0.393 19002 1011 1 3 . 1 1 41 41 SER C C 41 175.258 175.258 175.327 -0.069 19002 1012 1 3 . 1 1 41 41 SER CA C 41 56.913 56.913 57.772 -0.859 19002 1013 1 3 . 1 1 41 41 SER CB C 41 67.136 67.136 64.301 2.835 19002 1014 1 3 . 1 1 41 41 SER H H 41 9.246 9.246 8.474 0.772 19002 1015 1 3 . 1 1 42 42 ILE N N 42 122.298 122.298 122.158 0.140 19002 1016 1 3 . 1 1 42 42 ILE HA H 42 3.384 3.384 3.112 0.272 19002 1017 1 3 . 1 1 42 42 ILE C C 42 176.573 176.573 176.254 0.319 19002 1018 1 3 . 1 1 42 42 ILE CA C 42 63.317 63.317 63.839 -0.522 19002 1019 1 3 . 1 1 42 42 ILE CB C 42 37.290 37.290 37.478 -0.188 19002 1020 1 3 . 1 1 42 42 ILE H H 42 8.848 8.848 8.632 0.216 19002 1021 1 3 . 1 1 43 43 ASP N N 43 118.987 118.987 118.037 0.950 19002 1022 1 3 . 1 1 43 43 ASP HA H 43 4.317 4.317 4.277 0.040 19002 1023 1 3 . 1 1 43 43 ASP C C 43 178.940 178.940 177.949 0.991 19002 1024 1 3 . 1 1 43 43 ASP CA C 43 57.809 57.809 57.301 0.508 19002 1025 1 3 . 1 1 43 43 ASP CB C 43 40.722 40.722 39.182 1.540 19002 1026 1 3 . 1 1 43 43 ASP H H 43 7.673 7.673 8.717 -1.044 19002 1027 1 3 . 1 1 44 44 ASP N N 44 121.961 121.961 119.755 2.206 19002 1028 1 3 . 1 1 44 44 ASP HA H 44 4.259 4.259 4.374 -0.115 19002 1029 1 3 . 1 1 44 44 ASP C C 44 177.564 177.564 178.071 -0.507 19002 1030 1 3 . 1 1 44 44 ASP CA C 44 57.624 57.624 56.972 0.652 19002 1031 1 3 . 1 1 44 44 ASP CB C 44 41.244 41.244 40.027 1.217 19002 1032 1 3 . 1 1 44 44 ASP H H 44 7.610 7.610 8.383 -0.773 19002 1033 1 3 . 1 1 45 45 TYR N N 45 121.352 121.352 121.887 -0.535 19002 1034 1 3 . 1 1 45 45 TYR HA H 45 4.676 4.676 4.520 0.156 19002 1035 1 3 . 1 1 45 45 TYR C C 45 177.362 177.362 177.594 -0.232 19002 1036 1 3 . 1 1 45 45 TYR CA C 45 60.703 60.703 60.865 -0.162 19002 1037 1 3 . 1 1 45 45 TYR CB C 45 38.747 38.747 38.919 -0.172 19002 1038 1 3 . 1 1 45 45 TYR H H 45 7.750 7.750 7.233 0.517 19002 1039 1 3 . 1 1 46 46 LEU N N 46 118.650 118.650 118.838 -0.188 19002 1040 1 3 . 1 1 46 46 LEU HA H 46 3.697 3.697 3.666 0.031 19002 1041 1 3 . 1 1 46 46 LEU C C 46 179.850 179.850 179.023 0.827 19002 1042 1 3 . 1 1 46 46 LEU CA C 46 57.807 57.807 57.433 0.374 19002 1043 1 3 . 1 1 46 46 LEU CB C 46 41.205 41.205 41.225 -0.020 19002 1044 1 3 . 1 1 46 46 LEU H H 46 8.544 8.544 8.880 -0.336 19002 1045 1 3 . 1 1 47 47 ALA N N 47 121.991 121.991 121.954 0.037 19002 1046 1 3 . 1 1 47 47 ALA HA H 47 4.190 4.190 3.980 0.210 19002 1047 1 3 . 1 1 47 47 ALA C C 47 180.457 180.457 178.997 1.460 19002 1048 1 3 . 1 1 47 47 ALA CA C 47 55.048 55.048 55.435 -0.387 19002 1049 1 3 . 1 1 47 47 ALA CB C 47 18.337 18.337 18.076 0.261 19002 1050 1 3 . 1 1 47 47 ALA H H 47 7.716 7.716 7.904 -0.188 19002 1051 1 3 . 1 1 48 48 ASP N N 48 120.788 120.788 118.182 2.606 19002 1052 1 3 . 1 1 48 48 ASP HA H 48 4.505 4.505 4.427 0.078 19002 1053 1 3 . 1 1 48 48 ASP C C 48 178.596 178.596 178.131 0.465 19002 1054 1 3 . 1 1 48 48 ASP CA C 48 57.361 57.361 56.499 0.862 19002 1055 1 3 . 1 1 48 48 ASP CB C 48 40.076 40.076 40.998 -0.922 19002 1056 1 3 . 1 1 48 48 ASP H H 48 8.316 8.316 7.558 0.758 19002 1057 1 3 . 1 1 49 49 ARG N N 49 120.274 120.274 120.130 0.144 19002 1058 1 3 . 1 1 49 49 ARG HA H 49 3.952 3.952 4.044 -0.092 19002 1059 1 3 . 1 1 49 49 ARG C C 49 178.454 178.454 178.003 0.451 19002 1060 1 3 . 1 1 49 49 ARG CA C 49 58.133 58.133 58.844 -0.711 19002 1061 1 3 . 1 1 49 49 ARG CB C 49 29.231 29.231 30.122 -0.891 19002 1062 1 3 . 1 1 49 49 ARG H H 49 8.459 8.459 8.200 0.259 19002 1063 1 3 . 1 1 50 50 GLU N N 50 118.834 118.834 118.738 0.096 19002 1064 1 3 . 1 1 50 50 GLU HA H 50 4.101 4.101 4.013 0.088 19002 1065 1 3 . 1 1 50 50 GLU C C 50 178.353 178.353 178.990 -0.637 19002 1066 1 3 . 1 1 50 50 GLU CA C 50 58.928 58.928 59.107 -0.179 19002 1067 1 3 . 1 1 50 50 GLU CB C 50 29.530 29.530 28.832 0.698 19002 1068 1 3 . 1 1 50 50 GLU H H 50 7.734 7.734 8.152 -0.418 19002 1069 1 3 . 1 1 51 51 ARG N N 51 119.239 119.239 119.182 0.057 19002 1070 1 3 . 1 1 51 51 ARG HA H 51 4.240 4.240 4.031 0.209 19002 1071 1 3 . 1 1 51 51 ARG C C 51 178.370 178.370 178.709 -0.339 19002 1072 1 3 . 1 1 51 51 ARG CA C 51 58.105 58.105 58.488 -0.383 19002 1073 1 3 . 1 1 51 51 ARG CB C 51 30.649 30.649 29.521 1.128 19002 1074 1 3 . 1 1 51 51 ARG H H 51 7.694 7.694 7.506 0.188 19002 1075 1 3 . 1 1 52 52 GLU N N 52 119.667 119.667 119.335 0.332 19002 1076 1 3 . 1 1 52 52 GLU HA H 52 4.099 4.099 3.975 0.124 19002 1077 1 3 . 1 1 52 52 GLU C C 52 178.370 178.370 179.044 -0.674 19002 1078 1 3 . 1 1 52 52 GLU CA C 52 58.538 58.538 59.197 -0.659 19002 1079 1 3 . 1 1 52 52 GLU CB C 52 29.661 29.661 29.091 0.570 19002 1080 1 3 . 1 1 52 52 GLU H H 52 8.299 8.299 7.834 0.465 19002 1081 1 3 . 1 1 53 53 GLU N N 53 119.152 119.152 117.922 1.230 19002 1082 1 3 . 1 1 53 53 GLU HA H 53 4.210 4.210 4.018 0.192 19002 1083 1 3 . 1 1 53 53 GLU C C 53 177.740 177.740 179.220 -1.480 19002 1084 1 3 . 1 1 53 53 GLU CA C 53 58.172 58.172 59.115 -0.943 19002 1085 1 3 . 1 1 53 53 GLU CB C 53 29.530 29.530 29.133 0.397 19002 1086 1 3 . 1 1 53 53 GLU H H 53 8.098 8.098 7.827 0.271 19002 1087 1 3 . 1 1 54 54 GLU N N 54 120.097 120.097 118.850 1.247 19002 1088 1 3 . 1 1 54 54 GLU HA H 54 4.212 4.212 4.201 0.011 19002 1089 1 3 . 1 1 54 54 GLU C C 54 177.443 177.443 178.237 -0.794 19002 1090 1 3 . 1 1 54 54 GLU CA C 54 58.081 58.081 57.819 0.262 19002 1091 1 3 . 1 1 54 54 GLU CB C 54 29.788 29.788 29.476 0.312 19002 1092 1 3 . 1 1 54 54 GLU H H 54 7.968 7.968 7.710 0.258 19002 1093 1 3 . 1 1 55 55 LEU N N 55 120.563 120.563 118.142 2.421 19002 1094 1 3 . 1 1 55 55 LEU HA H 55 4.288 4.288 4.223 0.065 19002 1095 1 3 . 1 1 55 55 LEU C C 55 177.735 177.735 177.939 -0.204 19002 1096 1 3 . 1 1 55 55 LEU CA C 55 56.070 56.070 55.472 0.598 19002 1097 1 3 . 1 1 55 55 LEU CB C 55 42.062 42.062 41.802 0.260 19002 1098 1 3 . 1 1 55 55 LEU H H 55 7.905 7.905 7.593 0.312 19002 1099 1 3 . 1 1 56 56 LEU N N 56 121.250 121.250 119.032 2.218 19002 1100 1 3 . 1 1 56 56 LEU HA H 56 4.312 4.312 4.144 0.168 19002 1101 1 3 . 1 1 56 56 LEU C C 56 177.726 177.726 177.736 -0.010 19002 1102 1 3 . 1 1 56 56 LEU CA C 56 55.979 55.979 57.011 -1.032 19002 1103 1 3 . 1 1 56 56 LEU CB C 56 42.635 42.635 42.252 0.383 19002 1104 1 3 . 1 1 56 56 LEU H H 56 7.859 7.859 7.239 0.620 19002 1105 1 3 . 1 1 57 57 GLU N N 57 120.632 120.632 118.229 2.403 19002 1106 1 3 . 1 1 57 57 GLU HA H 57 4.283 4.283 4.402 -0.119 19002 1107 1 3 . 1 1 57 57 GLU C C 57 176.553 176.553 175.635 0.918 19002 1108 1 3 . 1 1 57 57 GLU CA C 57 57.076 57.076 55.017 2.059 19002 1109 1 3 . 1 1 57 57 GLU CB C 57 30.052 30.052 28.680 1.371 19002 1110 1 3 . 1 1 57 57 GLU H H 57 8.153 8.153 8.060 0.093 19002 1111 1 3 . 1 1 58 58 ARG N N 58 121.282 121.282 127.005 -5.723 19002 1112 1 3 . 1 1 58 58 ARG HA H 58 4.372 4.372 4.316 0.056 19002 1113 1 3 . 1 1 58 58 ARG C C 58 176.169 176.169 176.848 -0.679 19002 1114 1 3 . 1 1 58 58 ARG CA C 58 56.344 56.344 56.263 0.081 19002 1115 1 3 . 1 1 58 58 ARG CB C 58 31.102 31.102 29.664 1.438 19002 1116 1 3 . 1 1 58 58 ARG H H 58 8.146 8.146 8.353 -0.207 19002 1117 1 3 . 1 1 59 59 ASP N N 59 121.619 121.619 126.011 -4.392 19002 1118 1 3 . 1 1 59 59 ASP HA H 59 4.639 4.639 4.488 0.151 19002 1119 1 3 . 1 1 59 59 ASP C C 59 176.553 176.553 177.028 -0.475 19002 1120 1 3 . 1 1 59 59 ASP CA C 59 54.768 54.768 57.732 -2.964 19002 1121 1 3 . 1 1 59 59 ASP CB C 59 41.256 41.256 40.677 0.579 19002 1122 1 3 . 1 1 59 59 ASP H H 59 8.386 8.386 8.288 0.098 19002 1123 1 3 . 1 1 60 60 GLU N N 60 121.214 121.214 116.743 4.471 19002 1124 1 3 . 1 1 60 60 GLU HA H 60 4.273 4.273 4.008 0.265 19002 1125 1 3 . 1 1 60 60 GLU C C 60 176.876 176.876 177.634 -0.758 19002 1126 1 3 . 1 1 60 60 GLU CA C 60 57.361 57.361 58.131 -0.770 19002 1127 1 3 . 1 1 60 60 GLU CB C 60 30.425 30.425 28.625 1.800 19002 1128 1 3 . 1 1 60 60 GLU H H 60 8.372 8.372 8.512 -0.140 19002 1129 1 3 . 1 1 61 61 GLU N N 61 121.077 121.077 121.081 -0.004 19002 1130 1 3 . 1 1 61 61 GLU HA H 61 4.210 4.210 4.176 0.034 19002 1131 1 3 . 1 1 61 61 GLU C C 61 176.832 176.832 177.281 -0.449 19002 1132 1 3 . 1 1 61 61 GLU CA C 61 57.734 57.734 58.939 -1.205 19002 1133 1 3 . 1 1 61 61 GLU CB C 61 30.425 30.425 30.268 0.157 19002 1134 1 3 . 1 1 61 61 GLU H H 61 8.384 8.384 7.979 0.405 19002 1135 1 3 . 1 1 62 62 GLU N N 62 121.155 121.155 116.275 4.880 19002 1136 1 3 . 1 1 62 62 GLU HA H 62 4.249 4.249 4.635 -0.386 19002 1137 1 3 . 1 1 62 62 GLU C C 62 176.432 176.432 174.980 1.452 19002 1138 1 3 . 1 1 62 62 GLU CA C 62 57.137 57.137 57.422 -0.285 19002 1139 1 3 . 1 1 62 62 GLU CB C 62 30.425 30.425 31.195 -0.770 19002 1140 1 3 . 1 1 62 62 GLU H H 62 8.300 8.300 7.879 0.421 19002 1141 1 3 . 1 1 63 63 ALA N N 63 124.607 124.607 122.247 2.360 19002 1142 1 3 . 1 1 63 63 ALA HA H 63 4.293 4.293 4.548 -0.255 19002 1143 1 3 . 1 1 63 63 ALA C C 63 177.483 177.483 176.727 0.756 19002 1144 1 3 . 1 1 63 63 ALA CA C 63 52.915 52.915 51.622 1.293 19002 1145 1 3 . 1 1 63 63 ALA CB C 63 19.070 19.070 17.809 1.261 19002 1146 1 3 . 1 1 63 63 ALA H H 63 8.178 8.178 8.467 -0.289 19002 1147 1 3 . 1 1 64 64 ILE N N 64 118.941 118.941 119.613 -0.672 19002 1148 1 3 . 1 1 64 64 ILE HA H 64 4.076 4.076 4.146 -0.070 19002 1149 1 3 . 1 1 64 64 ILE C C 64 176.047 176.047 176.789 -0.742 19002 1150 1 3 . 1 1 64 64 ILE CA C 64 61.342 61.342 62.324 -0.982 19002 1151 1 3 . 1 1 64 64 ILE CB C 64 38.700 38.700 39.155 -0.455 19002 1152 1 3 . 1 1 64 64 ILE H H 64 7.872 7.872 7.883 -0.011 19002 1153 1 3 . 1 1 65 65 PHE N N 65 122.809 122.809 117.584 5.225 19002 1154 1 3 . 1 1 65 65 PHE HA H 65 4.615 4.615 5.026 -0.411 19002 1155 1 3 . 1 1 65 65 PHE C C 65 176.270 176.270 176.300 -0.030 19002 1156 1 3 . 1 1 65 65 PHE CA C 65 57.807 57.807 57.195 0.612 19002 1157 1 3 . 1 1 65 65 PHE CB C 65 39.827 39.827 38.944 0.883 19002 1158 1 3 . 1 1 65 65 PHE H H 65 8.188 8.188 8.397 -0.209 19002 1159 1 3 . 1 1 66 66 GLY N N 66 110.278 110.278 108.131 2.147 19002 1160 1 3 . 1 1 66 66 GLY C C 66 173.802 173.802 172.527 1.275 19002 1161 1 3 . 1 1 66 66 GLY CA C 66 45.391 45.391 44.816 0.575 19002 1162 1 3 . 1 1 66 66 GLY H H 66 8.213 8.213 7.289 0.924 19002 1163 1 3 . 1 1 67 67 ASP N N 67 120.510 120.510 119.951 0.559 19002 1164 1 3 . 1 1 67 67 ASP HA H 67 4.599 4.599 4.573 0.026 19002 1165 1 3 . 1 1 67 67 ASP C C 67 176.897 176.897 177.082 -0.185 19002 1166 1 3 . 1 1 67 67 ASP CA C 67 54.425 54.425 54.502 -0.077 19002 1167 1 3 . 1 1 67 67 ASP CB C 67 41.265 41.265 41.581 -0.316 19002 1168 1 3 . 1 1 67 67 ASP H H 67 8.254 8.254 8.254 -0.000 19002 1169 1 3 . 1 1 68 68 GLY N N 68 108.789 108.789 107.427 1.362 19002 1170 1 3 . 1 1 68 68 GLY C C 68 174.307 174.307 174.284 0.023 19002 1171 1 3 . 1 1 68 68 GLY CA C 68 46.020 46.020 44.764 1.256 19002 1172 1 3 . 1 1 68 68 GLY H H 68 8.342 8.342 7.743 0.599 19002 1173 1 3 . 1 1 69 69 PHE N N 69 119.903 119.903 118.797 1.106 19002 1174 1 3 . 1 1 69 69 PHE HA H 69 4.599 4.599 5.062 -0.463 19002 1175 1 3 . 1 1 69 69 PHE C C 69 176.432 176.432 175.978 0.454 19002 1176 1 3 . 1 1 69 69 PHE CA C 69 58.146 58.146 55.230 2.916 19002 1177 1 3 . 1 1 69 69 PHE CB C 69 39.339 39.339 38.956 0.383 19002 1178 1 3 . 1 1 69 69 PHE H H 69 8.178 8.178 7.834 0.344 19002 1179 1 3 . 1 1 70 70 GLY N N 70 110.089 110.089 110.042 0.047 19002 1180 1 3 . 1 1 70 70 GLY C C 70 174.227 174.227 173.914 0.313 19002 1181 1 3 . 1 1 70 70 GLY CA C 70 45.628 45.628 45.048 0.580 19002 1182 1 3 . 1 1 70 70 GLY H H 70 8.382 8.382 8.586 -0.204 19002 1183 1 3 . 1 1 71 71 LEU N N 71 121.600 121.600 120.824 0.776 19002 1184 1 3 . 1 1 71 71 LEU HA H 71 4.290 4.290 4.453 -0.163 19002 1185 1 3 . 1 1 71 71 LEU C C 71 177.645 177.645 177.501 0.144 19002 1186 1 3 . 1 1 71 71 LEU CA C 71 55.500 55.500 57.053 -1.553 19002 1187 1 3 . 1 1 71 71 LEU CB C 71 42.400 42.400 42.851 -0.451 19002 1188 1 3 . 1 1 71 71 LEU H H 71 8.069 8.069 7.744 0.325 19002 1189 1 3 . 1 1 72 72 LYS N N 72 121.214 121.214 117.100 4.114 19002 1190 1 3 . 1 1 72 72 LYS HA H 72 4.283 4.283 4.444 -0.161 19002 1191 1 3 . 1 1 72 72 LYS C C 72 176.553 176.553 177.149 -0.596 19002 1192 1 3 . 1 1 72 72 LYS CA C 72 56.594 56.594 56.695 -0.101 19002 1193 1 3 . 1 1 72 72 LYS CB C 72 32.765 32.765 32.508 0.257 19002 1194 1 3 . 1 1 72 72 LYS H H 72 8.372 8.372 8.379 -0.007 19002 1195 1 3 . 1 1 73 73 ALA N N 73 124.187 124.187 120.886 3.301 19002 1196 1 3 . 1 1 73 73 ALA HA H 73 4.347 4.347 4.258 0.089 19002 1197 1 3 . 1 1 73 73 ALA C C 73 178.009 178.009 178.319 -0.310 19002 1198 1 3 . 1 1 73 73 ALA CA C 73 52.597 52.597 53.169 -0.572 19002 1199 1 3 . 1 1 73 73 ALA CB C 73 19.239 19.239 18.521 0.718 19002 1200 1 3 . 1 1 73 73 ALA H H 73 8.188 8.188 7.973 0.215 19002 1201 1 3 . 1 1 74 74 THR N N 74 112.973 112.973 111.700 1.273 19002 1202 1 3 . 1 1 74 74 THR HA H 74 4.339 4.339 4.171 0.168 19002 1203 1 3 . 1 1 74 74 THR C C 74 174.753 174.753 175.506 -0.753 19002 1204 1 3 . 1 1 74 74 THR CA C 74 62.046 62.046 63.956 -1.910 19002 1205 1 3 . 1 1 74 74 THR CB C 74 69.779 69.779 69.282 0.497 19002 1206 1 3 . 1 1 74 74 THR H H 74 8.054 8.054 7.725 0.329 19002 1207 1 3 . 1 1 75 75 ARG N N 75 123.112 123.112 120.154 2.958 19002 1208 1 3 . 1 1 75 75 ARG HA H 75 4.371 4.371 4.555 -0.184 19002 1209 1 3 . 1 1 75 75 ARG C C 75 176.411 176.411 175.173 1.238 19002 1210 1 3 . 1 1 75 75 ARG CA C 75 56.801 56.801 55.999 0.802 19002 1211 1 3 . 1 1 75 75 ARG CB C 75 30.798 30.798 31.094 -0.296 19002 1212 1 3 . 1 1 75 75 ARG H H 75 8.296 8.296 8.215 0.081 19002 1213 1 3 . 1 1 76 76 ARG N N 76 121.977 121.977 120.112 1.865 19002 1214 1 3 . 1 1 76 76 ARG HA H 76 4.362 4.362 4.549 -0.187 19002 1215 1 3 . 1 1 76 76 ARG C C 76 176.411 176.411 175.676 0.735 19002 1216 1 3 . 1 1 76 76 ARG CA C 76 56.689 56.689 54.974 1.715 19002 1217 1 3 . 1 1 76 76 ARG CB C 76 30.873 30.873 30.988 -0.115 19002 1218 1 3 . 1 1 76 76 ARG H H 76 8.360 8.360 8.658 -0.298 19002 1219 1 3 . 1 1 77 77 SER N N 77 116.981 116.981 118.761 -1.780 19002 1220 1 3 . 1 1 77 77 SER HA H 77 4.483 4.483 4.395 0.088 19002 1221 1 3 . 1 1 77 77 SER C C 77 174.672 174.672 174.580 0.092 19002 1222 1 3 . 1 1 77 77 SER CA C 77 58.497 58.497 58.981 -0.484 19002 1223 1 3 . 1 1 77 77 SER CB C 77 63.839 63.839 63.148 0.691 19002 1224 1 3 . 1 1 77 77 SER H H 77 8.325 8.325 8.147 0.178 19002 1225 1 3 . 1 1 78 78 ARG N N 78 123.324 123.324 125.946 -2.622 19002 1226 1 3 . 1 1 78 78 ARG HA H 78 4.377 4.377 4.294 0.083 19002 1227 1 3 . 1 1 78 78 ARG C C 78 176.492 176.492 176.378 0.114 19002 1228 1 3 . 1 1 78 78 ARG CA C 78 56.619 56.619 56.082 0.537 19002 1229 1 3 . 1 1 78 78 ARG CB C 78 30.873 30.873 30.359 0.514 19002 1230 1 3 . 1 1 78 78 ARG H H 78 8.421 8.421 8.549 -0.128 19002 1231 1 3 . 1 1 79 79 LYS N N 79 122.352 122.352 117.956 4.396 19002 1232 1 3 . 1 1 79 79 LYS HA H 79 4.266 4.266 3.942 0.324 19002 1233 1 3 . 1 1 79 79 LYS C C 79 176.472 176.472 175.582 0.890 19002 1234 1 3 . 1 1 79 79 LYS CA C 79 57.076 57.076 56.650 0.426 19002 1235 1 3 . 1 1 79 79 LYS CB C 79 33.186 33.186 29.911 3.275 19002 1236 1 3 . 1 1 79 79 LYS H H 79 8.300 8.300 8.750 -0.450 19002 1237 1 3 . 1 1 80 80 ALA N N 80 124.816 124.816 122.928 1.888 19002 1238 1 3 . 1 1 80 80 ALA HA H 80 4.308 4.308 4.415 -0.107 19002 1239 1 3 . 1 1 80 80 ALA C C 80 177.787 177.787 177.904 -0.117 19002 1240 1 3 . 1 1 80 80 ALA CA C 80 52.597 52.597 51.858 0.739 19002 1241 1 3 . 1 1 80 80 ALA CB C 80 19.180 19.180 18.690 0.490 19002 1242 1 3 . 1 1 80 80 ALA H H 80 8.269 8.269 7.814 0.455 19002 1243 1 3 . 1 1 81 81 GLU N N 81 120.243 120.243 122.220 -1.977 19002 1244 1 3 . 1 1 81 81 GLU HA H 81 4.278 4.278 3.922 0.356 19002 1245 1 3 . 1 1 81 81 GLU C C 81 176.614 176.614 174.988 1.626 19002 1246 1 3 . 1 1 81 81 GLU CA C 81 56.893 56.893 57.053 -0.160 19002 1247 1 3 . 1 1 81 81 GLU CB C 81 30.374 30.374 28.679 1.695 19002 1248 1 3 . 1 1 81 81 GLU H H 81 8.283 8.283 8.804 -0.521 19002 1249 1 3 . 1 1 82 82 ARG N N 82 121.743 121.743 122.650 -0.907 19002 1250 1 3 . 1 1 82 82 ARG HA H 82 4.378 4.378 4.428 -0.050 19002 1251 1 3 . 1 1 82 82 ARG C C 82 175.946 175.946 175.081 0.865 19002 1252 1 3 . 1 1 82 82 ARG CA C 82 56.047 56.047 55.931 0.116 19002 1253 1 3 . 1 1 82 82 ARG CB C 82 30.757 30.757 30.780 -0.023 19002 1254 1 3 . 1 1 82 82 ARG H H 82 8.256 8.256 8.451 -0.195 19002 1255 1 3 . 1 1 83 83 ALA N N 83 125.049 125.049 128.180 -3.131 19002 1256 1 3 . 1 1 83 83 ALA HA H 83 4.313 4.313 4.417 -0.104 19002 1257 1 3 . 1 1 83 83 ALA C C 83 177.322 177.322 177.949 -0.627 19002 1258 1 3 . 1 1 83 83 ALA CA C 83 52.872 52.872 53.036 -0.164 19002 1259 1 3 . 1 1 83 83 ALA CB C 83 19.239 19.239 19.633 -0.394 19002 1260 1 3 . 1 1 83 83 ALA H H 83 8.241 8.241 8.533 -0.292 19002 1261 1 3 . 1 1 84 84 LYS N N 84 121.088 121.088 120.774 0.314 19002 1262 1 3 . 1 1 84 84 LYS HA H 84 4.286 4.286 4.649 -0.363 19002 1263 1 3 . 1 1 84 84 LYS C C 84 175.460 175.460 174.812 0.648 19002 1264 1 3 . 1 1 84 84 LYS CA C 84 56.316 56.316 56.349 -0.033 19002 1265 1 3 . 1 1 84 84 LYS CB C 84 32.923 32.923 30.492 2.431 19002 1266 1 3 . 1 1 84 84 LYS H H 84 8.186 8.186 8.531 -0.345 19002 1267 1 4 . 1 1 12 12 ARG N N 12 121.400 121.400 122.539 -1.139 19002 1268 1 4 . 1 1 12 12 ARG HA H 12 4.640 4.640 4.635 0.005 19002 1269 1 4 . 1 1 12 12 ARG C C 12 174.242 174.242 174.197 0.045 19002 1270 1 4 . 1 1 12 12 ARG CA C 12 53.900 53.900 54.130 -0.230 19002 1271 1 4 . 1 1 12 12 ARG CB C 12 30.400 30.400 31.520 -1.120 19002 1272 1 4 . 1 1 12 12 ARG H H 12 8.140 8.140 8.324 -0.184 19002 1273 1 4 . 1 1 13 13 PRO HA H 13 4.457 4.457 4.552 -0.095 19002 1274 1 4 . 1 1 13 13 PRO C C 13 177.524 177.524 177.509 0.015 19002 1275 1 4 . 1 1 13 13 PRO CA C 13 63.259 63.259 63.208 0.051 19002 1276 1 4 . 1 1 13 13 PRO CB C 13 32.067 32.067 31.866 0.201 19002 1277 1 4 . 1 1 14 14 GLY N N 14 109.192 109.192 108.290 0.902 19002 1278 1 4 . 1 1 14 14 GLY C C 14 174.227 174.227 175.864 -1.637 19002 1279 1 4 . 1 1 14 14 GLY CA C 14 45.497 45.497 45.497 0.000 19002 1280 1 4 . 1 1 14 14 GLY H H 14 8.467 8.467 8.592 -0.125 19002 1281 1 4 . 1 1 15 15 VAL N N 15 119.157 119.157 117.660 1.497 19002 1282 1 4 . 1 1 15 15 VAL HA H 15 4.081 4.081 3.931 0.150 19002 1283 1 4 . 1 1 15 15 VAL C C 15 175.986 175.986 175.032 0.954 19002 1284 1 4 . 1 1 15 15 VAL CA C 15 62.529 62.529 63.818 -1.289 19002 1285 1 4 . 1 1 15 15 VAL CB C 15 32.491 32.491 31.442 1.049 19002 1286 1 4 . 1 1 15 15 VAL H H 15 7.837 7.837 7.305 0.532 19002 1287 1 4 . 1 1 16 16 PHE N N 16 123.110 123.110 120.467 2.643 19002 1288 1 4 . 1 1 16 16 PHE HA H 16 4.614 4.614 4.794 -0.180 19002 1289 1 4 . 1 1 16 16 PHE C C 16 175.804 175.804 173.905 1.899 19002 1290 1 4 . 1 1 16 16 PHE CA C 16 58.398 58.398 55.884 2.514 19002 1291 1 4 . 1 1 16 16 PHE CB C 16 39.475 39.475 39.800 -0.325 19002 1292 1 4 . 1 1 16 16 PHE H H 16 8.265 8.265 7.532 0.733 19002 1293 1 4 . 1 1 17 17 ARG N N 17 122.074 122.074 123.488 -1.414 19002 1294 1 4 . 1 1 17 17 ARG HA H 17 4.323 4.323 4.405 -0.082 19002 1295 1 4 . 1 1 17 17 ARG C C 17 176.452 176.452 176.541 -0.089 19002 1296 1 4 . 1 1 17 17 ARG CA C 17 56.710 56.710 55.157 1.553 19002 1297 1 4 . 1 1 17 17 ARG CB C 17 30.937 30.937 30.528 0.409 19002 1298 1 4 . 1 1 17 17 ARG H H 17 8.155 8.155 7.519 0.636 19002 1299 1 4 . 1 1 18 18 THR N N 18 114.223 114.223 118.459 -4.236 19002 1300 1 4 . 1 1 18 18 THR HA H 18 4.231 4.231 3.880 0.351 19002 1301 1 4 . 1 1 18 18 THR C C 18 174.348 174.348 175.480 -1.132 19002 1302 1 4 . 1 1 18 18 THR CA C 18 62.410 62.410 63.586 -1.176 19002 1303 1 4 . 1 1 18 18 THR CB C 18 69.509 69.509 69.030 0.479 19002 1304 1 4 . 1 1 18 18 THR H H 18 8.015 8.015 8.384 -0.369 19002 1305 1 4 . 1 1 19 19 ARG N N 19 120.957 120.957 119.564 1.393 19002 1306 1 4 . 1 1 19 19 ARG HA H 19 4.323 4.323 3.916 0.407 19002 1307 1 4 . 1 1 19 19 ARG C C 19 175.986 175.986 175.555 0.431 19002 1308 1 4 . 1 1 19 19 ARG CA C 19 56.093 56.093 56.405 -0.312 19002 1309 1 4 . 1 1 19 19 ARG CB C 19 30.480 30.480 28.680 1.800 19002 1310 1 4 . 1 1 19 19 ARG H H 19 8.080 8.080 8.296 -0.216 19002 1311 1 4 . 1 1 20 20 GLY N N 20 107.963 107.963 105.397 2.566 19002 1312 1 4 . 1 1 20 20 GLY C C 20 173.802 173.802 175.064 -1.262 19002 1313 1 4 . 1 1 20 20 GLY CA C 20 45.273 45.273 44.782 0.491 19002 1314 1 4 . 1 1 20 20 GLY H H 20 8.241 8.241 7.766 0.475 19002 1315 1 4 . 1 1 21 21 LEU N N 21 121.181 121.181 122.491 -1.310 19002 1316 1 4 . 1 1 21 21 LEU HA H 21 4.770 4.770 4.304 0.466 19002 1317 1 4 . 1 1 21 21 LEU C C 21 178.414 178.414 177.626 0.788 19002 1318 1 4 . 1 1 21 21 LEU CA C 21 54.677 54.677 55.717 -1.040 19002 1319 1 4 . 1 1 21 21 LEU CB C 21 43.142 43.142 42.324 0.818 19002 1320 1 4 . 1 1 21 21 LEU H H 21 7.967 7.967 7.570 0.397 19002 1321 1 4 . 1 1 22 22 THR N N 22 114.494 114.494 117.282 -2.788 19002 1322 1 4 . 1 1 22 22 THR HA H 22 4.558 4.558 4.493 0.065 19002 1323 1 4 . 1 1 22 22 THR C C 22 175.359 175.359 175.119 0.240 19002 1324 1 4 . 1 1 22 22 THR CA C 22 61.316 61.316 60.738 0.578 19002 1325 1 4 . 1 1 22 22 THR CB C 22 71.015 71.015 70.481 0.534 19002 1326 1 4 . 1 1 22 22 THR H H 22 9.075 9.075 9.399 -0.324 19002 1327 1 4 . 1 1 23 23 ASP N N 23 121.204 121.204 121.189 0.015 19002 1328 1 4 . 1 1 23 23 ASP HA H 23 4.485 4.485 4.306 0.179 19002 1329 1 4 . 1 1 23 23 ASP C C 23 178.697 178.697 178.285 0.412 19002 1330 1 4 . 1 1 23 23 ASP CA C 23 58.315 58.315 58.393 -0.078 19002 1331 1 4 . 1 1 23 23 ASP CB C 23 39.931 39.931 40.641 -0.710 19002 1332 1 4 . 1 1 23 23 ASP H H 23 8.943 8.943 8.807 0.136 19002 1333 1 4 . 1 1 24 24 GLU N N 24 119.241 119.241 117.108 2.133 19002 1334 1 4 . 1 1 24 24 GLU HA H 24 4.199 4.199 4.089 0.110 19002 1335 1 4 . 1 1 24 24 GLU C C 24 179.911 179.911 178.955 0.956 19002 1336 1 4 . 1 1 24 24 GLU CA C 24 59.973 59.973 59.304 0.669 19002 1337 1 4 . 1 1 24 24 GLU CB C 24 29.306 29.306 29.131 0.175 19002 1338 1 4 . 1 1 24 24 GLU H H 24 8.741 8.741 8.941 -0.200 19002 1339 1 4 . 1 1 25 25 GLU N N 25 121.151 121.151 121.302 -0.151 19002 1340 1 4 . 1 1 25 25 GLU HA H 25 4.200 4.200 4.246 -0.046 19002 1341 1 4 . 1 1 25 25 GLU C C 25 178.394 178.394 178.885 -0.491 19002 1342 1 4 . 1 1 25 25 GLU CA C 25 59.178 59.178 58.901 0.277 19002 1343 1 4 . 1 1 25 25 GLU CB C 25 30.873 30.873 29.965 0.908 19002 1344 1 4 . 1 1 25 25 GLU H H 25 7.801 7.801 7.668 0.133 19002 1345 1 4 . 1 1 26 26 TYR N N 26 120.692 120.692 121.063 -0.371 19002 1346 1 4 . 1 1 26 26 TYR HA H 26 4.184 4.184 4.065 0.119 19002 1347 1 4 . 1 1 26 26 TYR C C 26 177.483 177.483 177.365 0.118 19002 1348 1 4 . 1 1 26 26 TYR CA C 26 61.924 61.924 61.301 0.623 19002 1349 1 4 . 1 1 26 26 TYR CB C 26 37.837 37.837 38.731 -0.894 19002 1350 1 4 . 1 1 26 26 TYR H H 26 8.897 8.897 8.924 -0.027 19002 1351 1 4 . 1 1 27 27 ASP N N 27 118.898 118.898 119.417 -0.519 19002 1352 1 4 . 1 1 27 27 ASP HA H 27 4.338 4.338 4.285 0.053 19002 1353 1 4 . 1 1 27 27 ASP C C 27 178.535 178.535 178.117 0.418 19002 1354 1 4 . 1 1 27 27 ASP CA C 27 57.864 57.864 58.104 -0.240 19002 1355 1 4 . 1 1 27 27 ASP CB C 27 40.797 40.797 40.867 -0.070 19002 1356 1 4 . 1 1 27 27 ASP H H 27 8.135 8.135 8.732 -0.597 19002 1357 1 4 . 1 1 28 28 GLU N N 28 121.020 121.020 120.734 0.286 19002 1358 1 4 . 1 1 28 28 GLU HA H 28 4.101 4.101 4.068 0.033 19002 1359 1 4 . 1 1 28 28 GLU C C 28 178.394 178.394 178.605 -0.211 19002 1360 1 4 . 1 1 28 28 GLU CA C 28 59.450 59.450 59.191 0.259 19002 1361 1 4 . 1 1 28 28 GLU CB C 28 29.231 29.231 29.454 -0.223 19002 1362 1 4 . 1 1 28 28 GLU H H 28 7.655 7.655 7.815 -0.160 19002 1363 1 4 . 1 1 29 29 PHE N N 29 121.567 121.567 120.612 0.955 19002 1364 1 4 . 1 1 29 29 PHE HA H 29 3.765 3.765 4.075 -0.310 19002 1365 1 4 . 1 1 29 29 PHE C C 29 176.169 176.169 177.136 -0.967 19002 1366 1 4 . 1 1 29 29 PHE CA C 29 61.371 61.371 60.680 0.691 19002 1367 1 4 . 1 1 29 29 PHE CB C 29 37.588 37.588 38.358 -0.770 19002 1368 1 4 . 1 1 29 29 PHE H H 29 8.471 8.471 8.418 0.053 19002 1369 1 4 . 1 1 30 30 LYS N N 30 118.916 118.916 119.341 -0.425 19002 1370 1 4 . 1 1 30 30 LYS HA H 30 3.137 3.137 3.382 -0.245 19002 1371 1 4 . 1 1 30 30 LYS C C 30 179.445 179.445 178.875 0.570 19002 1372 1 4 . 1 1 30 30 LYS CA C 30 60.346 60.346 59.915 0.431 19002 1373 1 4 . 1 1 30 30 LYS CB C 30 31.992 31.992 31.980 0.012 19002 1374 1 4 . 1 1 30 30 LYS H H 30 8.287 8.287 8.135 0.152 19002 1375 1 4 . 1 1 31 31 LYS N N 31 120.113 120.113 119.316 0.797 19002 1376 1 4 . 1 1 31 31 LYS HA H 31 4.018 4.018 3.938 0.080 19002 1377 1 4 . 1 1 31 31 LYS C C 31 179.918 179.918 179.336 0.582 19002 1378 1 4 . 1 1 31 31 LYS CA C 31 59.700 59.700 59.756 -0.056 19002 1379 1 4 . 1 1 31 31 LYS CB C 31 32.300 32.300 32.264 0.036 19002 1380 1 4 . 1 1 31 31 LYS H H 31 7.690 7.690 8.237 -0.547 19002 1381 1 4 . 1 1 32 32 ARG N N 32 121.200 121.200 118.988 2.212 19002 1382 1 4 . 1 1 32 32 ARG HA H 32 3.893 3.893 3.873 0.020 19002 1383 1 4 . 1 1 32 32 ARG C C 32 178.990 178.990 178.466 0.524 19002 1384 1 4 . 1 1 32 32 ARG CA C 32 59.452 59.452 59.283 0.169 19002 1385 1 4 . 1 1 32 32 ARG CB C 32 31.284 31.284 30.100 1.184 19002 1386 1 4 . 1 1 32 32 ARG H H 32 8.299 8.299 8.405 -0.106 19002 1387 1 4 . 1 1 33 33 ARG N N 33 120.223 120.223 119.939 0.284 19002 1388 1 4 . 1 1 33 33 ARG HA H 33 3.698 3.698 4.027 -0.329 19002 1389 1 4 . 1 1 33 33 ARG C C 33 178.697 178.697 178.030 0.667 19002 1390 1 4 . 1 1 33 33 ARG CA C 33 59.607 59.607 59.480 0.127 19002 1391 1 4 . 1 1 33 33 ARG CB C 33 29.570 29.570 29.839 -0.269 19002 1392 1 4 . 1 1 33 33 ARG H H 33 8.704 8.704 8.431 0.273 19002 1393 1 4 . 1 1 34 34 GLU N N 34 119.860 119.860 119.005 0.855 19002 1394 1 4 . 1 1 34 34 GLU HA H 34 4.046 4.046 4.011 0.035 19002 1395 1 4 . 1 1 34 34 GLU C C 34 179.850 179.850 179.360 0.490 19002 1396 1 4 . 1 1 34 34 GLU CA C 34 59.210 59.210 59.333 -0.123 19002 1397 1 4 . 1 1 34 34 GLU CB C 34 29.380 29.380 29.299 0.081 19002 1398 1 4 . 1 1 34 34 GLU H H 34 7.941 7.941 8.429 -0.488 19002 1399 1 4 . 1 1 35 35 SER N N 35 115.261 115.261 115.651 -0.390 19002 1400 1 4 . 1 1 35 35 SER HA H 35 4.378 4.378 4.273 0.105 19002 1401 1 4 . 1 1 35 35 SER C C 35 175.339 175.339 176.131 -0.792 19002 1402 1 4 . 1 1 35 35 SER CA C 35 60.068 60.068 60.586 -0.518 19002 1403 1 4 . 1 1 35 35 SER CB C 35 63.321 63.321 63.236 0.085 19002 1404 1 4 . 1 1 35 35 SER H H 35 7.813 7.813 7.927 -0.114 19002 1405 1 4 . 1 1 36 36 ARG N N 36 119.557 119.557 119.615 -0.058 19002 1406 1 4 . 1 1 36 36 ARG HA H 36 4.439 4.439 4.457 -0.018 19002 1407 1 4 . 1 1 36 36 ARG C C 36 177.524 177.524 175.861 1.663 19002 1408 1 4 . 1 1 36 36 ARG CA C 36 55.794 55.794 54.796 0.998 19002 1409 1 4 . 1 1 36 36 ARG CB C 36 30.276 30.276 30.385 -0.109 19002 1410 1 4 . 1 1 36 36 ARG H H 36 7.459 7.459 7.475 -0.016 19002 1411 1 4 . 1 1 37 37 GLY N N 37 109.722 109.722 106.438 3.284 19002 1412 1 4 . 1 1 37 37 GLY C C 37 175.117 175.117 175.341 -0.224 19002 1413 1 4 . 1 1 37 37 GLY CA C 37 46.691 46.691 45.425 1.266 19002 1414 1 4 . 1 1 37 37 GLY H H 37 7.981 7.981 7.669 0.312 19002 1415 1 4 . 1 1 38 38 GLY N N 38 104.904 104.904 106.718 -1.814 19002 1416 1 4 . 1 1 38 38 GLY C C 38 174.489 174.489 175.187 -0.698 19002 1417 1 4 . 1 1 38 38 GLY CA C 38 45.012 45.012 44.983 0.028 19002 1418 1 4 . 1 1 38 38 GLY H H 38 8.271 8.271 8.714 -0.443 19002 1419 1 4 . 1 1 39 39 LYS N N 39 122.169 122.169 123.290 -1.121 19002 1420 1 4 . 1 1 39 39 LYS HA H 39 4.515 4.515 4.467 0.048 19002 1421 1 4 . 1 1 39 39 LYS C C 39 174.995 174.995 175.152 -0.157 19002 1422 1 4 . 1 1 39 39 LYS CA C 39 55.622 55.622 55.713 -0.091 19002 1423 1 4 . 1 1 39 39 LYS CB C 39 30.846 30.846 31.378 -0.532 19002 1424 1 4 . 1 1 39 39 LYS H H 39 7.471 7.471 7.585 -0.114 19002 1425 1 4 . 1 1 40 40 TYR N N 40 123.749 123.749 122.921 0.828 19002 1426 1 4 . 1 1 40 40 TYR HA H 40 4.893 4.893 4.726 0.167 19002 1427 1 4 . 1 1 40 40 TYR C C 40 173.883 173.883 173.976 -0.093 19002 1428 1 4 . 1 1 40 40 TYR CA C 40 58.629 58.629 56.703 1.926 19002 1429 1 4 . 1 1 40 40 TYR CB C 40 40.871 40.871 40.789 0.082 19002 1430 1 4 . 1 1 40 40 TYR H H 40 7.687 7.687 8.157 -0.470 19002 1431 1 4 . 1 1 41 41 SER N N 41 124.561 124.561 122.428 2.133 19002 1432 1 4 . 1 1 41 41 SER HA H 41 5.061 5.061 4.940 0.121 19002 1433 1 4 . 1 1 41 41 SER C C 41 175.258 175.258 175.131 0.127 19002 1434 1 4 . 1 1 41 41 SER CA C 41 56.913 56.913 57.326 -0.413 19002 1435 1 4 . 1 1 41 41 SER CB C 41 67.136 67.136 65.583 1.553 19002 1436 1 4 . 1 1 41 41 SER H H 41 9.246 9.246 8.371 0.875 19002 1437 1 4 . 1 1 42 42 ILE N N 42 122.298 122.298 121.377 0.921 19002 1438 1 4 . 1 1 42 42 ILE HA H 42 3.384 3.384 3.074 0.310 19002 1439 1 4 . 1 1 42 42 ILE C C 42 176.573 176.573 176.808 -0.235 19002 1440 1 4 . 1 1 42 42 ILE CA C 42 63.317 63.317 63.624 -0.307 19002 1441 1 4 . 1 1 42 42 ILE CB C 42 37.290 37.290 37.594 -0.304 19002 1442 1 4 . 1 1 42 42 ILE H H 42 8.848 8.848 8.751 0.097 19002 1443 1 4 . 1 1 43 43 ASP N N 43 118.987 118.987 119.946 -0.959 19002 1444 1 4 . 1 1 43 43 ASP HA H 43 4.317 4.317 4.176 0.141 19002 1445 1 4 . 1 1 43 43 ASP C C 43 178.940 178.940 178.016 0.924 19002 1446 1 4 . 1 1 43 43 ASP CA C 43 57.809 57.809 58.819 -1.010 19002 1447 1 4 . 1 1 43 43 ASP CB C 43 40.722 40.722 40.041 0.681 19002 1448 1 4 . 1 1 43 43 ASP H H 43 7.673 7.673 8.562 -0.889 19002 1449 1 4 . 1 1 44 44 ASP N N 44 121.961 121.961 119.731 2.230 19002 1450 1 4 . 1 1 44 44 ASP HA H 44 4.259 4.259 4.410 -0.151 19002 1451 1 4 . 1 1 44 44 ASP C C 44 177.564 177.564 178.148 -0.584 19002 1452 1 4 . 1 1 44 44 ASP CA C 44 57.624 57.624 56.979 0.645 19002 1453 1 4 . 1 1 44 44 ASP CB C 44 41.244 41.244 40.866 0.378 19002 1454 1 4 . 1 1 44 44 ASP H H 44 7.610 7.610 7.634 -0.024 19002 1455 1 4 . 1 1 45 45 TYR N N 45 121.352 121.352 121.700 -0.348 19002 1456 1 4 . 1 1 45 45 TYR HA H 45 4.676 4.676 4.474 0.202 19002 1457 1 4 . 1 1 45 45 TYR C C 45 177.362 177.362 177.928 -0.566 19002 1458 1 4 . 1 1 45 45 TYR CA C 45 60.703 60.703 61.163 -0.460 19002 1459 1 4 . 1 1 45 45 TYR CB C 45 38.747 38.747 38.575 0.172 19002 1460 1 4 . 1 1 45 45 TYR H H 45 7.750 7.750 7.193 0.557 19002 1461 1 4 . 1 1 46 46 LEU N N 46 118.650 118.650 119.110 -0.460 19002 1462 1 4 . 1 1 46 46 LEU HA H 46 3.697 3.697 3.766 -0.069 19002 1463 1 4 . 1 1 46 46 LEU C C 46 179.850 179.850 178.741 1.109 19002 1464 1 4 . 1 1 46 46 LEU CA C 46 57.807 57.807 57.533 0.274 19002 1465 1 4 . 1 1 46 46 LEU CB C 46 41.205 41.205 41.357 -0.152 19002 1466 1 4 . 1 1 46 46 LEU H H 46 8.544 8.544 8.830 -0.286 19002 1467 1 4 . 1 1 47 47 ALA N N 47 121.991 121.991 121.729 0.262 19002 1468 1 4 . 1 1 47 47 ALA HA H 47 4.190 4.190 3.932 0.258 19002 1469 1 4 . 1 1 47 47 ALA C C 47 180.457 180.457 179.532 0.925 19002 1470 1 4 . 1 1 47 47 ALA CA C 47 55.048 55.048 55.202 -0.154 19002 1471 1 4 . 1 1 47 47 ALA CB C 47 18.337 18.337 18.040 0.297 19002 1472 1 4 . 1 1 47 47 ALA H H 47 7.716 7.716 8.279 -0.563 19002 1473 1 4 . 1 1 48 48 ASP N N 48 120.788 120.788 118.714 2.074 19002 1474 1 4 . 1 1 48 48 ASP HA H 48 4.505 4.505 4.389 0.116 19002 1475 1 4 . 1 1 48 48 ASP C C 48 178.596 178.596 178.178 0.418 19002 1476 1 4 . 1 1 48 48 ASP CA C 48 57.361 57.361 56.458 0.903 19002 1477 1 4 . 1 1 48 48 ASP CB C 48 40.076 40.076 41.070 -0.994 19002 1478 1 4 . 1 1 48 48 ASP H H 48 8.316 8.316 7.640 0.676 19002 1479 1 4 . 1 1 49 49 ARG N N 49 120.274 120.274 120.420 -0.146 19002 1480 1 4 . 1 1 49 49 ARG HA H 49 3.952 3.952 3.885 0.067 19002 1481 1 4 . 1 1 49 49 ARG C C 49 178.454 178.454 178.388 0.066 19002 1482 1 4 . 1 1 49 49 ARG CA C 49 58.133 58.133 58.837 -0.705 19002 1483 1 4 . 1 1 49 49 ARG CB C 49 29.231 29.231 29.954 -0.723 19002 1484 1 4 . 1 1 49 49 ARG H H 49 8.459 8.459 8.178 0.281 19002 1485 1 4 . 1 1 50 50 GLU N N 50 118.834 118.834 116.431 2.403 19002 1486 1 4 . 1 1 50 50 GLU HA H 50 4.101 4.101 4.043 0.058 19002 1487 1 4 . 1 1 50 50 GLU C C 50 178.353 178.353 178.473 -0.120 19002 1488 1 4 . 1 1 50 50 GLU CA C 50 58.928 58.928 59.011 -0.083 19002 1489 1 4 . 1 1 50 50 GLU CB C 50 29.530 29.530 29.143 0.387 19002 1490 1 4 . 1 1 50 50 GLU H H 50 7.734 7.734 8.091 -0.357 19002 1491 1 4 . 1 1 51 51 ARG N N 51 119.239 119.239 117.124 2.115 19002 1492 1 4 . 1 1 51 51 ARG HA H 51 4.240 4.240 4.310 -0.070 19002 1493 1 4 . 1 1 51 51 ARG C C 51 178.370 178.370 178.443 -0.073 19002 1494 1 4 . 1 1 51 51 ARG CA C 51 58.105 58.105 57.959 0.146 19002 1495 1 4 . 1 1 51 51 ARG CB C 51 30.649 30.649 31.030 -0.381 19002 1496 1 4 . 1 1 51 51 ARG H H 51 7.694 7.694 7.616 0.078 19002 1497 1 4 . 1 1 52 52 GLU N N 52 119.667 119.667 120.094 -0.427 19002 1498 1 4 . 1 1 52 52 GLU HA H 52 4.099 4.099 3.965 0.134 19002 1499 1 4 . 1 1 52 52 GLU C C 52 178.370 178.370 178.480 -0.110 19002 1500 1 4 . 1 1 52 52 GLU CA C 52 58.538 58.538 59.313 -0.775 19002 1501 1 4 . 1 1 52 52 GLU CB C 52 29.661 29.661 29.218 0.443 19002 1502 1 4 . 1 1 52 52 GLU H H 52 8.299 8.299 8.272 0.027 19002 1503 1 4 . 1 1 53 53 GLU N N 53 119.152 119.152 118.024 1.128 19002 1504 1 4 . 1 1 53 53 GLU HA H 53 4.210 4.210 4.049 0.161 19002 1505 1 4 . 1 1 53 53 GLU C C 53 177.740 177.740 178.893 -1.153 19002 1506 1 4 . 1 1 53 53 GLU CA C 53 58.172 58.172 58.958 -0.786 19002 1507 1 4 . 1 1 53 53 GLU CB C 53 29.530 29.530 29.358 0.172 19002 1508 1 4 . 1 1 53 53 GLU H H 53 8.098 8.098 7.764 0.334 19002 1509 1 4 . 1 1 54 54 GLU N N 54 120.097 120.097 116.821 3.276 19002 1510 1 4 . 1 1 54 54 GLU HA H 54 4.212 4.212 4.299 -0.087 19002 1511 1 4 . 1 1 54 54 GLU C C 54 177.443 177.443 178.207 -0.764 19002 1512 1 4 . 1 1 54 54 GLU CA C 54 58.081 58.081 57.933 0.148 19002 1513 1 4 . 1 1 54 54 GLU CB C 54 29.788 29.788 29.885 -0.097 19002 1514 1 4 . 1 1 54 54 GLU H H 54 7.968 7.968 7.763 0.205 19002 1515 1 4 . 1 1 55 55 LEU N N 55 120.563 120.563 120.029 0.534 19002 1516 1 4 . 1 1 55 55 LEU HA H 55 4.288 4.288 4.335 -0.047 19002 1517 1 4 . 1 1 55 55 LEU C C 55 177.735 177.735 177.469 0.266 19002 1518 1 4 . 1 1 55 55 LEU CA C 55 56.070 56.070 55.364 0.706 19002 1519 1 4 . 1 1 55 55 LEU CB C 55 42.062 42.062 42.004 0.058 19002 1520 1 4 . 1 1 55 55 LEU H H 55 7.905 7.905 7.312 0.593 19002 1521 1 4 . 1 1 56 56 LEU N N 56 121.250 121.250 117.031 4.219 19002 1522 1 4 . 1 1 56 56 LEU HA H 56 4.312 4.312 4.279 0.033 19002 1523 1 4 . 1 1 56 56 LEU C C 56 177.726 177.726 176.673 1.053 19002 1524 1 4 . 1 1 56 56 LEU CA C 56 55.979 55.979 55.302 0.677 19002 1525 1 4 . 1 1 56 56 LEU CB C 56 42.635 42.635 41.992 0.643 19002 1526 1 4 . 1 1 56 56 LEU H H 56 7.859 7.859 7.397 0.462 19002 1527 1 4 . 1 1 57 57 GLU N N 57 120.632 120.632 117.931 2.701 19002 1528 1 4 . 1 1 57 57 GLU HA H 57 4.283 4.283 4.488 -0.205 19002 1529 1 4 . 1 1 57 57 GLU C C 57 176.553 176.553 175.266 1.287 19002 1530 1 4 . 1 1 57 57 GLU CA C 57 57.076 57.076 55.954 1.122 19002 1531 1 4 . 1 1 57 57 GLU CB C 57 30.052 30.052 30.364 -0.312 19002 1532 1 4 . 1 1 57 57 GLU H H 57 8.153 8.153 7.430 0.723 19002 1533 1 4 . 1 1 58 58 ARG N N 58 121.282 121.282 123.217 -1.935 19002 1534 1 4 . 1 1 58 58 ARG HA H 58 4.372 4.372 4.504 -0.132 19002 1535 1 4 . 1 1 58 58 ARG C C 58 176.169 176.169 175.302 0.867 19002 1536 1 4 . 1 1 58 58 ARG CA C 58 56.344 56.344 56.607 -0.263 19002 1537 1 4 . 1 1 58 58 ARG CB C 58 31.102 31.102 32.875 -1.773 19002 1538 1 4 . 1 1 58 58 ARG H H 58 8.146 8.146 9.097 -0.951 19002 1539 1 4 . 1 1 59 59 ASP N N 59 121.619 121.619 115.224 6.395 19002 1540 1 4 . 1 1 59 59 ASP HA H 59 4.639 4.639 4.783 -0.144 19002 1541 1 4 . 1 1 59 59 ASP C C 59 176.553 176.553 176.017 0.536 19002 1542 1 4 . 1 1 59 59 ASP CA C 59 54.768 54.768 55.380 -0.612 19002 1543 1 4 . 1 1 59 59 ASP CB C 59 41.256 41.256 41.541 -0.285 19002 1544 1 4 . 1 1 59 59 ASP H H 59 8.386 8.386 9.105 -0.719 19002 1545 1 4 . 1 1 60 60 GLU N N 60 121.214 121.214 118.784 2.430 19002 1546 1 4 . 1 1 60 60 GLU HA H 60 4.273 4.273 4.226 0.047 19002 1547 1 4 . 1 1 60 60 GLU C C 60 176.876 176.876 177.696 -0.820 19002 1548 1 4 . 1 1 60 60 GLU CA C 60 57.361 57.361 57.954 -0.593 19002 1549 1 4 . 1 1 60 60 GLU CB C 60 30.425 30.425 29.523 0.902 19002 1550 1 4 . 1 1 60 60 GLU H H 60 8.372 8.372 8.490 -0.118 19002 1551 1 4 . 1 1 61 61 GLU N N 61 121.077 121.077 118.565 2.512 19002 1552 1 4 . 1 1 61 61 GLU HA H 61 4.210 4.210 4.193 0.017 19002 1553 1 4 . 1 1 61 61 GLU C C 61 176.832 176.832 177.226 -0.394 19002 1554 1 4 . 1 1 61 61 GLU CA C 61 57.734 57.734 57.504 0.230 19002 1555 1 4 . 1 1 61 61 GLU CB C 61 30.425 30.425 29.714 0.711 19002 1556 1 4 . 1 1 61 61 GLU H H 61 8.384 8.384 8.676 -0.292 19002 1557 1 4 . 1 1 62 62 GLU N N 62 121.155 121.155 116.945 4.210 19002 1558 1 4 . 1 1 62 62 GLU HA H 62 4.249 4.249 3.647 0.602 19002 1559 1 4 . 1 1 62 62 GLU C C 62 176.432 176.432 175.017 1.415 19002 1560 1 4 . 1 1 62 62 GLU CA C 62 57.137 57.137 55.049 2.088 19002 1561 1 4 . 1 1 62 62 GLU CB C 62 30.425 30.425 31.906 -1.481 19002 1562 1 4 . 1 1 62 62 GLU H H 62 8.300 8.300 7.723 0.577 19002 1563 1 4 . 1 1 63 63 ALA N N 63 124.607 124.607 122.661 1.946 19002 1564 1 4 . 1 1 63 63 ALA HA H 63 4.293 4.293 4.144 0.149 19002 1565 1 4 . 1 1 63 63 ALA C C 63 177.483 177.483 176.506 0.977 19002 1566 1 4 . 1 1 63 63 ALA CA C 63 52.915 52.915 52.758 0.157 19002 1567 1 4 . 1 1 63 63 ALA CB C 63 19.070 19.070 17.168 1.902 19002 1568 1 4 . 1 1 63 63 ALA H H 63 8.178 8.178 8.571 -0.393 19002 1569 1 4 . 1 1 64 64 ILE N N 64 118.941 118.941 120.041 -1.100 19002 1570 1 4 . 1 1 64 64 ILE HA H 64 4.076 4.076 4.064 0.012 19002 1571 1 4 . 1 1 64 64 ILE C C 64 176.047 176.047 176.735 -0.688 19002 1572 1 4 . 1 1 64 64 ILE CA C 64 61.342 61.342 62.539 -1.197 19002 1573 1 4 . 1 1 64 64 ILE CB C 64 38.700 38.700 38.677 0.023 19002 1574 1 4 . 1 1 64 64 ILE H H 64 7.872 7.872 8.052 -0.180 19002 1575 1 4 . 1 1 65 65 PHE N N 65 122.809 122.809 117.280 5.529 19002 1576 1 4 . 1 1 65 65 PHE HA H 65 4.615 4.615 4.795 -0.180 19002 1577 1 4 . 1 1 65 65 PHE C C 65 176.270 176.270 175.735 0.535 19002 1578 1 4 . 1 1 65 65 PHE CA C 65 57.807 57.807 57.280 0.527 19002 1579 1 4 . 1 1 65 65 PHE CB C 65 39.827 39.827 38.837 0.990 19002 1580 1 4 . 1 1 65 65 PHE H H 65 8.188 8.188 8.091 0.097 19002 1581 1 4 . 1 1 66 66 GLY N N 66 110.278 110.278 109.510 0.768 19002 1582 1 4 . 1 1 66 66 GLY C C 66 173.802 173.802 172.708 1.094 19002 1583 1 4 . 1 1 66 66 GLY CA C 66 45.391 45.391 44.843 0.548 19002 1584 1 4 . 1 1 66 66 GLY H H 66 8.213 8.213 7.415 0.798 19002 1585 1 4 . 1 1 67 67 ASP N N 67 120.510 120.510 119.368 1.142 19002 1586 1 4 . 1 1 67 67 ASP HA H 67 4.599 4.599 4.605 -0.006 19002 1587 1 4 . 1 1 67 67 ASP C C 67 176.897 176.897 176.032 0.865 19002 1588 1 4 . 1 1 67 67 ASP CA C 67 54.425 54.425 53.897 0.528 19002 1589 1 4 . 1 1 67 67 ASP CB C 67 41.265 41.265 41.813 -0.548 19002 1590 1 4 . 1 1 67 67 ASP H H 67 8.254 8.254 8.236 0.018 19002 1591 1 4 . 1 1 68 68 GLY N N 68 108.789 108.789 107.633 1.156 19002 1592 1 4 . 1 1 68 68 GLY C C 68 174.307 174.307 172.631 1.676 19002 1593 1 4 . 1 1 68 68 GLY CA C 68 46.020 46.020 44.607 1.413 19002 1594 1 4 . 1 1 68 68 GLY H H 68 8.342 8.342 7.668 0.674 19002 1595 1 4 . 1 1 69 69 PHE N N 69 119.903 119.903 114.388 5.515 19002 1596 1 4 . 1 1 69 69 PHE HA H 69 4.599 4.599 5.132 -0.533 19002 1597 1 4 . 1 1 69 69 PHE C C 69 176.432 176.432 175.640 0.792 19002 1598 1 4 . 1 1 69 69 PHE CA C 69 58.146 58.146 56.310 1.836 19002 1599 1 4 . 1 1 69 69 PHE CB C 69 39.339 39.339 39.487 -0.148 19002 1600 1 4 . 1 1 69 69 PHE H H 69 8.178 8.178 8.043 0.135 19002 1601 1 4 . 1 1 70 70 GLY N N 70 110.089 110.089 111.114 -1.025 19002 1602 1 4 . 1 1 70 70 GLY C C 70 174.227 174.227 175.144 -0.917 19002 1603 1 4 . 1 1 70 70 GLY CA C 70 45.628 45.628 46.678 -1.050 19002 1604 1 4 . 1 1 70 70 GLY H H 70 8.382 8.382 8.307 0.075 19002 1605 1 4 . 1 1 71 71 LEU N N 71 121.600 121.600 116.330 5.270 19002 1606 1 4 . 1 1 71 71 LEU HA H 71 4.290 4.290 4.646 -0.356 19002 1607 1 4 . 1 1 71 71 LEU C C 71 177.645 177.645 176.784 0.861 19002 1608 1 4 . 1 1 71 71 LEU CA C 71 55.500 55.500 54.932 0.568 19002 1609 1 4 . 1 1 71 71 LEU CB C 71 42.400 42.400 41.693 0.707 19002 1610 1 4 . 1 1 71 71 LEU H H 71 8.069 8.069 7.822 0.247 19002 1611 1 4 . 1 1 72 72 LYS N N 72 121.214 121.214 120.116 1.098 19002 1612 1 4 . 1 1 72 72 LYS HA H 72 4.283 4.283 4.571 -0.288 19002 1613 1 4 . 1 1 72 72 LYS C C 72 176.553 176.553 175.013 1.540 19002 1614 1 4 . 1 1 72 72 LYS CA C 72 56.594 56.594 55.701 0.893 19002 1615 1 4 . 1 1 72 72 LYS CB C 72 32.765 32.765 36.288 -3.523 19002 1616 1 4 . 1 1 72 72 LYS H H 72 8.372 8.372 7.989 0.383 19002 1617 1 4 . 1 1 73 73 ALA N N 73 124.187 124.187 127.712 -3.525 19002 1618 1 4 . 1 1 73 73 ALA HA H 73 4.347 4.347 4.834 -0.487 19002 1619 1 4 . 1 1 73 73 ALA C C 73 178.009 178.009 176.826 1.183 19002 1620 1 4 . 1 1 73 73 ALA CA C 73 52.597 52.597 51.200 1.397 19002 1621 1 4 . 1 1 73 73 ALA CB C 73 19.239 19.239 20.061 -0.822 19002 1622 1 4 . 1 1 73 73 ALA H H 73 8.188 8.188 8.600 -0.412 19002 1623 1 4 . 1 1 74 74 THR N N 74 112.973 112.973 120.410 -7.437 19002 1624 1 4 . 1 1 74 74 THR HA H 74 4.339 4.339 4.205 0.135 19002 1625 1 4 . 1 1 74 74 THR C C 74 174.753 174.753 174.946 -0.193 19002 1626 1 4 . 1 1 74 74 THR CA C 74 62.046 62.046 63.054 -1.008 19002 1627 1 4 . 1 1 74 74 THR CB C 74 69.779 69.779 69.037 0.742 19002 1628 1 4 . 1 1 74 74 THR H H 74 8.054 8.054 8.577 -0.523 19002 1629 1 4 . 1 1 75 75 ARG N N 75 123.112 123.112 128.971 -5.859 19002 1630 1 4 . 1 1 75 75 ARG HA H 75 4.371 4.371 4.459 -0.088 19002 1631 1 4 . 1 1 75 75 ARG C C 75 176.411 176.411 176.090 0.321 19002 1632 1 4 . 1 1 75 75 ARG CA C 75 56.801 56.801 55.720 1.081 19002 1633 1 4 . 1 1 75 75 ARG CB C 75 30.798 30.798 28.939 1.859 19002 1634 1 4 . 1 1 75 75 ARG H H 75 8.296 8.296 8.828 -0.532 19002 1635 1 4 . 1 1 76 76 ARG N N 76 121.977 121.977 119.878 2.099 19002 1636 1 4 . 1 1 76 76 ARG HA H 76 4.362 4.362 4.403 -0.041 19002 1637 1 4 . 1 1 76 76 ARG C C 76 176.411 176.411 176.383 0.028 19002 1638 1 4 . 1 1 76 76 ARG CA C 76 56.689 56.689 56.245 0.444 19002 1639 1 4 . 1 1 76 76 ARG CB C 76 30.873 30.873 30.192 0.681 19002 1640 1 4 . 1 1 76 76 ARG H H 76 8.360 8.360 7.769 0.591 19002 1641 1 4 . 1 1 77 77 SER N N 77 116.981 116.981 113.453 3.528 19002 1642 1 4 . 1 1 77 77 SER HA H 77 4.483 4.483 4.808 -0.325 19002 1643 1 4 . 1 1 77 77 SER C C 77 174.672 174.672 175.760 -1.088 19002 1644 1 4 . 1 1 77 77 SER CA C 77 58.497 58.497 56.766 1.732 19002 1645 1 4 . 1 1 77 77 SER CB C 77 63.839 63.839 63.951 -0.112 19002 1646 1 4 . 1 1 77 77 SER H H 77 8.325 8.325 8.304 0.021 19002 1647 1 4 . 1 1 78 78 ARG N N 78 123.324 123.324 122.456 0.868 19002 1648 1 4 . 1 1 78 78 ARG HA H 78 4.377 4.377 3.987 0.390 19002 1649 1 4 . 1 1 78 78 ARG C C 78 176.492 176.492 176.022 0.470 19002 1650 1 4 . 1 1 78 78 ARG CA C 78 56.619 56.619 59.421 -2.802 19002 1651 1 4 . 1 1 78 78 ARG CB C 78 30.873 30.873 30.419 0.454 19002 1652 1 4 . 1 1 78 78 ARG H H 78 8.421 8.421 8.332 0.089 19002 1653 1 4 . 1 1 79 79 LYS N N 79 122.352 122.352 115.362 6.990 19002 1654 1 4 . 1 1 79 79 LYS HA H 79 4.266 4.266 4.552 -0.286 19002 1655 1 4 . 1 1 79 79 LYS C C 79 176.472 176.472 175.342 1.130 19002 1656 1 4 . 1 1 79 79 LYS CA C 79 57.076 57.076 56.046 1.030 19002 1657 1 4 . 1 1 79 79 LYS CB C 79 33.186 33.186 31.522 1.664 19002 1658 1 4 . 1 1 79 79 LYS H H 79 8.300 8.300 7.856 0.444 19002 1659 1 4 . 1 1 80 80 ALA N N 80 124.816 124.816 125.003 -0.187 19002 1660 1 4 . 1 1 80 80 ALA HA H 80 4.308 4.308 4.444 -0.136 19002 1661 1 4 . 1 1 80 80 ALA C C 80 177.787 177.787 177.466 0.321 19002 1662 1 4 . 1 1 80 80 ALA CA C 80 52.597 52.597 53.448 -0.851 19002 1663 1 4 . 1 1 80 80 ALA CB C 80 19.180 19.180 20.733 -1.553 19002 1664 1 4 . 1 1 80 80 ALA H H 80 8.269 8.269 8.010 0.259 19002 1665 1 4 . 1 1 81 81 GLU N N 81 120.243 120.243 115.689 4.554 19002 1666 1 4 . 1 1 81 81 GLU HA H 81 4.278 4.278 4.489 -0.211 19002 1667 1 4 . 1 1 81 81 GLU C C 81 176.614 176.614 176.546 0.068 19002 1668 1 4 . 1 1 81 81 GLU CA C 81 56.893 56.893 56.291 0.602 19002 1669 1 4 . 1 1 81 81 GLU CB C 81 30.374 30.374 31.313 -0.939 19002 1670 1 4 . 1 1 81 81 GLU H H 81 8.283 8.283 7.879 0.404 19002 1671 1 4 . 1 1 82 82 ARG N N 82 121.743 121.743 120.584 1.159 19002 1672 1 4 . 1 1 82 82 ARG HA H 82 4.378 4.378 4.603 -0.225 19002 1673 1 4 . 1 1 82 82 ARG C C 82 175.946 175.946 176.030 -0.084 19002 1674 1 4 . 1 1 82 82 ARG CA C 82 56.047 56.047 54.270 1.777 19002 1675 1 4 . 1 1 82 82 ARG CB C 82 30.757 30.757 29.362 1.395 19002 1676 1 4 . 1 1 82 82 ARG H H 82 8.256 8.256 7.703 0.553 19002 1677 1 4 . 1 1 83 83 ALA N N 83 125.049 125.049 122.211 2.838 19002 1678 1 4 . 1 1 83 83 ALA HA H 83 4.313 4.313 4.253 0.060 19002 1679 1 4 . 1 1 83 83 ALA C C 83 177.322 177.322 178.005 -0.683 19002 1680 1 4 . 1 1 83 83 ALA CA C 83 52.872 52.872 53.450 -0.578 19002 1681 1 4 . 1 1 83 83 ALA CB C 83 19.239 19.239 19.213 0.026 19002 1682 1 4 . 1 1 83 83 ALA H H 83 8.241 8.241 7.895 0.346 19002 1683 1 4 . 1 1 84 84 LYS N N 84 121.088 121.088 120.187 0.901 19002 1684 1 4 . 1 1 84 84 LYS HA H 84 4.286 4.286 4.510 -0.224 19002 1685 1 4 . 1 1 84 84 LYS C C 84 175.460 175.460 175.631 -0.171 19002 1686 1 4 . 1 1 84 84 LYS CA C 84 56.316 56.316 55.657 0.659 19002 1687 1 4 . 1 1 84 84 LYS CB C 84 32.923 32.923 30.213 2.710 19002 1688 1 4 . 1 1 84 84 LYS H H 84 8.186 8.186 8.332 -0.146 19002 1689 1 5 . 1 1 12 12 ARG N N 12 121.400 121.400 119.196 2.204 19002 1690 1 5 . 1 1 12 12 ARG HA H 12 4.640 4.640 4.237 0.403 19002 1691 1 5 . 1 1 12 12 ARG C C 12 174.242 174.242 174.324 -0.082 19002 1692 1 5 . 1 1 12 12 ARG CA C 12 53.900 53.900 55.982 -2.082 19002 1693 1 5 . 1 1 12 12 ARG CB C 12 30.400 30.400 30.233 0.167 19002 1694 1 5 . 1 1 12 12 ARG H H 12 8.140 8.140 8.254 -0.114 19002 1695 1 5 . 1 1 13 13 PRO HA H 13 4.457 4.457 4.523 -0.066 19002 1696 1 5 . 1 1 13 13 PRO C C 13 177.524 177.524 175.864 1.660 19002 1697 1 5 . 1 1 13 13 PRO CA C 13 63.259 63.259 62.893 0.366 19002 1698 1 5 . 1 1 13 13 PRO CB C 13 32.067 32.067 30.657 1.410 19002 1699 1 5 . 1 1 14 14 GLY N N 14 109.192 109.192 106.892 2.300 19002 1700 1 5 . 1 1 14 14 GLY C C 14 174.227 174.227 174.917 -0.690 19002 1701 1 5 . 1 1 14 14 GLY CA C 14 45.497 45.497 45.254 0.243 19002 1702 1 5 . 1 1 14 14 GLY H H 14 8.467 8.467 8.133 0.334 19002 1703 1 5 . 1 1 15 15 VAL N N 15 119.157 119.157 117.100 2.057 19002 1704 1 5 . 1 1 15 15 VAL HA H 15 4.081 4.081 3.894 0.187 19002 1705 1 5 . 1 1 15 15 VAL C C 15 175.986 175.986 176.070 -0.084 19002 1706 1 5 . 1 1 15 15 VAL CA C 15 62.529 62.529 64.903 -2.374 19002 1707 1 5 . 1 1 15 15 VAL CB C 15 32.491 32.491 32.004 0.487 19002 1708 1 5 . 1 1 15 15 VAL H H 15 7.837 7.837 7.722 0.115 19002 1709 1 5 . 1 1 16 16 PHE N N 16 123.110 123.110 120.620 2.490 19002 1710 1 5 . 1 1 16 16 PHE HA H 16 4.614 4.614 4.633 -0.019 19002 1711 1 5 . 1 1 16 16 PHE C C 16 175.804 175.804 175.038 0.766 19002 1712 1 5 . 1 1 16 16 PHE CA C 16 58.398 58.398 58.086 0.312 19002 1713 1 5 . 1 1 16 16 PHE CB C 16 39.475 39.475 40.212 -0.737 19002 1714 1 5 . 1 1 16 16 PHE H H 16 8.265 8.265 7.867 0.398 19002 1715 1 5 . 1 1 17 17 ARG N N 17 122.074 122.074 118.943 3.131 19002 1716 1 5 . 1 1 17 17 ARG HA H 17 4.323 4.323 4.254 0.069 19002 1717 1 5 . 1 1 17 17 ARG C C 17 176.452 176.452 175.687 0.765 19002 1718 1 5 . 1 1 17 17 ARG CA C 17 56.710 56.710 56.237 0.473 19002 1719 1 5 . 1 1 17 17 ARG CB C 17 30.937 30.937 28.406 2.531 19002 1720 1 5 . 1 1 17 17 ARG H H 17 8.155 8.155 8.420 -0.265 19002 1721 1 5 . 1 1 18 18 THR N N 18 114.223 114.223 114.707 -0.484 19002 1722 1 5 . 1 1 18 18 THR HA H 18 4.231 4.231 4.301 -0.070 19002 1723 1 5 . 1 1 18 18 THR C C 18 174.348 174.348 175.551 -1.203 19002 1724 1 5 . 1 1 18 18 THR CA C 18 62.410 62.410 62.901 -0.491 19002 1725 1 5 . 1 1 18 18 THR CB C 18 69.509 69.509 69.162 0.347 19002 1726 1 5 . 1 1 18 18 THR H H 18 8.015 8.015 8.598 -0.583 19002 1727 1 5 . 1 1 19 19 ARG N N 19 120.957 120.957 119.797 1.160 19002 1728 1 5 . 1 1 19 19 ARG HA H 19 4.323 4.323 3.999 0.324 19002 1729 1 5 . 1 1 19 19 ARG C C 19 175.986 175.986 175.953 0.033 19002 1730 1 5 . 1 1 19 19 ARG CA C 19 56.093 56.093 56.439 -0.346 19002 1731 1 5 . 1 1 19 19 ARG CB C 19 30.480 30.480 29.436 1.044 19002 1732 1 5 . 1 1 19 19 ARG H H 19 8.080 8.080 8.305 -0.225 19002 1733 1 5 . 1 1 20 20 GLY N N 20 107.963 107.963 102.892 5.071 19002 1734 1 5 . 1 1 20 20 GLY C C 20 173.802 173.802 174.402 -0.600 19002 1735 1 5 . 1 1 20 20 GLY CA C 20 45.273 45.273 45.197 0.076 19002 1736 1 5 . 1 1 20 20 GLY H H 20 8.241 8.241 8.450 -0.209 19002 1737 1 5 . 1 1 21 21 LEU N N 21 121.181 121.181 121.412 -0.231 19002 1738 1 5 . 1 1 21 21 LEU HA H 21 4.770 4.770 4.308 0.462 19002 1739 1 5 . 1 1 21 21 LEU C C 21 178.414 178.414 177.477 0.937 19002 1740 1 5 . 1 1 21 21 LEU CA C 21 54.677 54.677 55.870 -1.193 19002 1741 1 5 . 1 1 21 21 LEU CB C 21 43.142 43.142 42.238 0.904 19002 1742 1 5 . 1 1 21 21 LEU H H 21 7.967 7.967 7.567 0.400 19002 1743 1 5 . 1 1 22 22 THR N N 22 114.494 114.494 116.438 -1.944 19002 1744 1 5 . 1 1 22 22 THR HA H 22 4.558 4.558 4.538 0.020 19002 1745 1 5 . 1 1 22 22 THR C C 22 175.359 175.359 175.205 0.154 19002 1746 1 5 . 1 1 22 22 THR CA C 22 61.316 61.316 60.490 0.826 19002 1747 1 5 . 1 1 22 22 THR CB C 22 71.015 71.015 70.360 0.655 19002 1748 1 5 . 1 1 22 22 THR H H 22 9.075 9.075 8.049 1.026 19002 1749 1 5 . 1 1 23 23 ASP N N 23 121.204 121.204 120.655 0.549 19002 1750 1 5 . 1 1 23 23 ASP HA H 23 4.485 4.485 4.371 0.114 19002 1751 1 5 . 1 1 23 23 ASP C C 23 178.697 178.697 178.446 0.251 19002 1752 1 5 . 1 1 23 23 ASP CA C 23 58.315 58.315 57.898 0.417 19002 1753 1 5 . 1 1 23 23 ASP CB C 23 39.931 39.931 40.723 -0.792 19002 1754 1 5 . 1 1 23 23 ASP H H 23 8.943 8.943 8.823 0.120 19002 1755 1 5 . 1 1 24 24 GLU N N 24 119.241 119.241 118.589 0.652 19002 1756 1 5 . 1 1 24 24 GLU HA H 24 4.199 4.199 4.113 0.086 19002 1757 1 5 . 1 1 24 24 GLU C C 24 179.911 179.911 179.227 0.684 19002 1758 1 5 . 1 1 24 24 GLU CA C 24 59.973 59.973 59.615 0.358 19002 1759 1 5 . 1 1 24 24 GLU CB C 24 29.306 29.306 29.520 -0.214 19002 1760 1 5 . 1 1 24 24 GLU H H 24 8.741 8.741 8.690 0.051 19002 1761 1 5 . 1 1 25 25 GLU N N 25 121.151 121.151 120.556 0.595 19002 1762 1 5 . 1 1 25 25 GLU HA H 25 4.200 4.200 4.273 -0.073 19002 1763 1 5 . 1 1 25 25 GLU C C 25 178.394 178.394 179.190 -0.796 19002 1764 1 5 . 1 1 25 25 GLU CA C 25 59.178 59.178 59.131 0.047 19002 1765 1 5 . 1 1 25 25 GLU CB C 25 30.873 30.873 29.623 1.250 19002 1766 1 5 . 1 1 25 25 GLU H H 25 7.801 7.801 7.706 0.095 19002 1767 1 5 . 1 1 26 26 TYR N N 26 120.692 120.692 120.972 -0.280 19002 1768 1 5 . 1 1 26 26 TYR HA H 26 4.184 4.184 4.148 0.036 19002 1769 1 5 . 1 1 26 26 TYR C C 26 177.483 177.483 177.717 -0.234 19002 1770 1 5 . 1 1 26 26 TYR CA C 26 61.924 61.924 61.561 0.363 19002 1771 1 5 . 1 1 26 26 TYR CB C 26 37.837 37.837 38.696 -0.859 19002 1772 1 5 . 1 1 26 26 TYR H H 26 8.897 8.897 8.830 0.067 19002 1773 1 5 . 1 1 27 27 ASP N N 27 118.898 118.898 119.763 -0.865 19002 1774 1 5 . 1 1 27 27 ASP HA H 27 4.338 4.338 4.261 0.077 19002 1775 1 5 . 1 1 27 27 ASP C C 27 178.535 178.535 177.907 0.628 19002 1776 1 5 . 1 1 27 27 ASP CA C 27 57.864 57.864 57.969 -0.105 19002 1777 1 5 . 1 1 27 27 ASP CB C 27 40.797 40.797 40.827 -0.030 19002 1778 1 5 . 1 1 27 27 ASP H H 27 8.135 8.135 8.647 -0.512 19002 1779 1 5 . 1 1 28 28 GLU N N 28 121.020 121.020 120.465 0.555 19002 1780 1 5 . 1 1 28 28 GLU HA H 28 4.101 4.101 4.040 0.061 19002 1781 1 5 . 1 1 28 28 GLU C C 28 178.394 178.394 178.638 -0.244 19002 1782 1 5 . 1 1 28 28 GLU CA C 28 59.450 59.450 59.400 0.050 19002 1783 1 5 . 1 1 28 28 GLU CB C 28 29.231 29.231 29.771 -0.540 19002 1784 1 5 . 1 1 28 28 GLU H H 28 7.655 7.655 8.207 -0.552 19002 1785 1 5 . 1 1 29 29 PHE N N 29 121.567 121.567 120.816 0.751 19002 1786 1 5 . 1 1 29 29 PHE HA H 29 3.765 3.765 3.968 -0.203 19002 1787 1 5 . 1 1 29 29 PHE C C 29 176.169 176.169 177.114 -0.945 19002 1788 1 5 . 1 1 29 29 PHE CA C 29 61.371 61.371 60.561 0.810 19002 1789 1 5 . 1 1 29 29 PHE CB C 29 37.588 37.588 38.316 -0.728 19002 1790 1 5 . 1 1 29 29 PHE H H 29 8.471 8.471 8.410 0.061 19002 1791 1 5 . 1 1 30 30 LYS N N 30 118.916 118.916 119.526 -0.610 19002 1792 1 5 . 1 1 30 30 LYS HA H 30 3.137 3.137 3.354 -0.217 19002 1793 1 5 . 1 1 30 30 LYS C C 30 179.445 179.445 178.797 0.648 19002 1794 1 5 . 1 1 30 30 LYS CA C 30 60.346 60.346 59.967 0.379 19002 1795 1 5 . 1 1 30 30 LYS CB C 30 31.992 31.992 31.960 0.032 19002 1796 1 5 . 1 1 30 30 LYS H H 30 8.287 8.287 8.251 0.036 19002 1797 1 5 . 1 1 31 31 LYS N N 31 120.113 120.113 119.345 0.768 19002 1798 1 5 . 1 1 31 31 LYS HA H 31 4.018 4.018 3.865 0.153 19002 1799 1 5 . 1 1 31 31 LYS C C 31 179.918 179.918 179.383 0.535 19002 1800 1 5 . 1 1 31 31 LYS CA C 31 59.700 59.700 59.703 -0.003 19002 1801 1 5 . 1 1 31 31 LYS CB C 31 32.300 32.300 32.227 0.072 19002 1802 1 5 . 1 1 31 31 LYS H H 31 7.690 7.690 8.262 -0.572 19002 1803 1 5 . 1 1 32 32 ARG N N 32 121.200 121.200 118.455 2.745 19002 1804 1 5 . 1 1 32 32 ARG HA H 32 3.893 3.893 3.879 0.014 19002 1805 1 5 . 1 1 32 32 ARG C C 32 178.990 178.990 178.544 0.446 19002 1806 1 5 . 1 1 32 32 ARG CA C 32 59.452 59.452 59.218 0.234 19002 1807 1 5 . 1 1 32 32 ARG CB C 32 31.284 31.284 30.059 1.225 19002 1808 1 5 . 1 1 32 32 ARG H H 32 8.299 8.299 8.325 -0.026 19002 1809 1 5 . 1 1 33 33 ARG N N 33 120.223 120.223 120.144 0.079 19002 1810 1 5 . 1 1 33 33 ARG HA H 33 3.698 3.698 4.023 -0.325 19002 1811 1 5 . 1 1 33 33 ARG C C 33 178.697 178.697 178.236 0.461 19002 1812 1 5 . 1 1 33 33 ARG CA C 33 59.607 59.607 59.303 0.304 19002 1813 1 5 . 1 1 33 33 ARG CB C 33 29.570 29.570 29.817 -0.247 19002 1814 1 5 . 1 1 33 33 ARG H H 33 8.704 8.704 8.279 0.425 19002 1815 1 5 . 1 1 34 34 GLU N N 34 119.860 119.860 119.303 0.557 19002 1816 1 5 . 1 1 34 34 GLU HA H 34 4.046 4.046 4.008 0.038 19002 1817 1 5 . 1 1 34 34 GLU C C 34 179.850 179.850 179.346 0.504 19002 1818 1 5 . 1 1 34 34 GLU CA C 34 59.210 59.210 59.107 0.103 19002 1819 1 5 . 1 1 34 34 GLU CB C 34 29.380 29.380 29.006 0.373 19002 1820 1 5 . 1 1 34 34 GLU H H 34 7.941 7.941 8.507 -0.566 19002 1821 1 5 . 1 1 35 35 SER N N 35 115.261 115.261 115.851 -0.590 19002 1822 1 5 . 1 1 35 35 SER HA H 35 4.378 4.378 4.209 0.169 19002 1823 1 5 . 1 1 35 35 SER C C 35 175.339 175.339 176.123 -0.784 19002 1824 1 5 . 1 1 35 35 SER CA C 35 60.068 60.068 60.914 -0.846 19002 1825 1 5 . 1 1 35 35 SER CB C 35 63.321 63.321 63.210 0.111 19002 1826 1 5 . 1 1 35 35 SER H H 35 7.813 7.813 7.930 -0.117 19002 1827 1 5 . 1 1 36 36 ARG N N 36 119.557 119.557 119.753 -0.196 19002 1828 1 5 . 1 1 36 36 ARG HA H 36 4.439 4.439 4.422 0.017 19002 1829 1 5 . 1 1 36 36 ARG C C 36 177.524 177.524 175.786 1.738 19002 1830 1 5 . 1 1 36 36 ARG CA C 36 55.794 55.794 54.715 1.079 19002 1831 1 5 . 1 1 36 36 ARG CB C 36 30.276 30.276 30.204 0.072 19002 1832 1 5 . 1 1 36 36 ARG H H 36 7.459 7.459 7.319 0.140 19002 1833 1 5 . 1 1 37 37 GLY N N 37 109.722 109.722 106.569 3.153 19002 1834 1 5 . 1 1 37 37 GLY C C 37 175.117 175.117 175.032 0.085 19002 1835 1 5 . 1 1 37 37 GLY CA C 37 46.691 46.691 45.468 1.223 19002 1836 1 5 . 1 1 37 37 GLY H H 37 7.981 7.981 8.085 -0.104 19002 1837 1 5 . 1 1 38 38 GLY N N 38 104.904 104.904 106.449 -1.545 19002 1838 1 5 . 1 1 38 38 GLY C C 38 174.489 174.489 175.859 -1.370 19002 1839 1 5 . 1 1 38 38 GLY CA C 38 45.012 45.012 45.082 -0.070 19002 1840 1 5 . 1 1 38 38 GLY H H 38 8.271 8.271 8.619 -0.348 19002 1841 1 5 . 1 1 39 39 LYS N N 39 122.169 122.169 123.344 -1.175 19002 1842 1 5 . 1 1 39 39 LYS HA H 39 4.515 4.515 4.460 0.055 19002 1843 1 5 . 1 1 39 39 LYS C C 39 174.995 174.995 175.266 -0.271 19002 1844 1 5 . 1 1 39 39 LYS CA C 39 55.622 55.622 55.175 0.447 19002 1845 1 5 . 1 1 39 39 LYS CB C 39 30.846 30.846 30.806 0.040 19002 1846 1 5 . 1 1 39 39 LYS H H 39 7.471 7.471 7.558 -0.087 19002 1847 1 5 . 1 1 40 40 TYR N N 40 123.749 123.749 121.764 1.985 19002 1848 1 5 . 1 1 40 40 TYR HA H 40 4.893 4.893 4.782 0.111 19002 1849 1 5 . 1 1 40 40 TYR C C 40 173.883 173.883 173.675 0.208 19002 1850 1 5 . 1 1 40 40 TYR CA C 40 58.629 58.629 56.406 2.224 19002 1851 1 5 . 1 1 40 40 TYR CB C 40 40.871 40.871 40.398 0.473 19002 1852 1 5 . 1 1 40 40 TYR H H 40 7.687 7.687 8.080 -0.393 19002 1853 1 5 . 1 1 41 41 SER N N 41 124.561 124.561 122.468 2.093 19002 1854 1 5 . 1 1 41 41 SER HA H 41 5.061 5.061 4.614 0.447 19002 1855 1 5 . 1 1 41 41 SER C C 41 175.258 175.258 175.122 0.136 19002 1856 1 5 . 1 1 41 41 SER CA C 41 56.913 56.913 57.421 -0.508 19002 1857 1 5 . 1 1 41 41 SER CB C 41 67.136 67.136 64.613 2.523 19002 1858 1 5 . 1 1 41 41 SER H H 41 9.246 9.246 8.268 0.978 19002 1859 1 5 . 1 1 42 42 ILE N N 42 122.298 122.298 121.753 0.545 19002 1860 1 5 . 1 1 42 42 ILE HA H 42 3.384 3.384 3.117 0.267 19002 1861 1 5 . 1 1 42 42 ILE C C 42 176.573 176.573 176.177 0.396 19002 1862 1 5 . 1 1 42 42 ILE CA C 42 63.317 63.317 63.804 -0.487 19002 1863 1 5 . 1 1 42 42 ILE CB C 42 37.290 37.290 37.127 0.163 19002 1864 1 5 . 1 1 42 42 ILE H H 42 8.848 8.848 8.459 0.389 19002 1865 1 5 . 1 1 43 43 ASP N N 43 118.987 118.987 118.192 0.795 19002 1866 1 5 . 1 1 43 43 ASP HA H 43 4.317 4.317 4.158 0.159 19002 1867 1 5 . 1 1 43 43 ASP C C 43 178.940 178.940 178.186 0.754 19002 1868 1 5 . 1 1 43 43 ASP CA C 43 57.809 57.809 57.637 0.172 19002 1869 1 5 . 1 1 43 43 ASP CB C 43 40.722 40.722 39.099 1.623 19002 1870 1 5 . 1 1 43 43 ASP H H 43 7.673 7.673 8.399 -0.726 19002 1871 1 5 . 1 1 44 44 ASP N N 44 121.961 121.961 120.659 1.302 19002 1872 1 5 . 1 1 44 44 ASP HA H 44 4.259 4.259 4.306 -0.047 19002 1873 1 5 . 1 1 44 44 ASP C C 44 177.564 177.564 177.868 -0.304 19002 1874 1 5 . 1 1 44 44 ASP CA C 44 57.624 57.624 56.740 0.884 19002 1875 1 5 . 1 1 44 44 ASP CB C 44 41.244 41.244 40.535 0.709 19002 1876 1 5 . 1 1 44 44 ASP H H 44 7.610 7.610 7.378 0.232 19002 1877 1 5 . 1 1 45 45 TYR N N 45 121.352 121.352 121.516 -0.164 19002 1878 1 5 . 1 1 45 45 TYR HA H 45 4.676 4.676 4.376 0.300 19002 1879 1 5 . 1 1 45 45 TYR C C 45 177.362 177.362 178.063 -0.701 19002 1880 1 5 . 1 1 45 45 TYR CA C 45 60.703 60.703 61.234 -0.531 19002 1881 1 5 . 1 1 45 45 TYR CB C 45 38.747 38.747 38.559 0.188 19002 1882 1 5 . 1 1 45 45 TYR H H 45 7.750 7.750 7.248 0.502 19002 1883 1 5 . 1 1 46 46 LEU N N 46 118.650 118.650 118.620 0.030 19002 1884 1 5 . 1 1 46 46 LEU HA H 46 3.697 3.697 3.735 -0.038 19002 1885 1 5 . 1 1 46 46 LEU C C 46 179.850 179.850 178.970 0.880 19002 1886 1 5 . 1 1 46 46 LEU CA C 46 57.807 57.807 57.591 0.216 19002 1887 1 5 . 1 1 46 46 LEU CB C 46 41.205 41.205 41.324 -0.119 19002 1888 1 5 . 1 1 46 46 LEU H H 46 8.544 8.544 8.952 -0.408 19002 1889 1 5 . 1 1 47 47 ALA N N 47 121.991 121.991 119.658 2.333 19002 1890 1 5 . 1 1 47 47 ALA HA H 47 4.190 4.190 3.987 0.203 19002 1891 1 5 . 1 1 47 47 ALA C C 47 180.457 180.457 178.439 2.018 19002 1892 1 5 . 1 1 47 47 ALA CA C 47 55.048 55.048 54.481 0.567 19002 1893 1 5 . 1 1 47 47 ALA CB C 47 18.337 18.337 18.366 -0.029 19002 1894 1 5 . 1 1 47 47 ALA H H 47 7.716 7.716 7.918 -0.202 19002 1895 1 5 . 1 1 48 48 ASP N N 48 120.788 120.788 118.196 2.592 19002 1896 1 5 . 1 1 48 48 ASP HA H 48 4.505 4.505 4.577 -0.072 19002 1897 1 5 . 1 1 48 48 ASP C C 48 178.596 178.596 177.992 0.604 19002 1898 1 5 . 1 1 48 48 ASP CA C 48 57.361 57.361 56.051 1.310 19002 1899 1 5 . 1 1 48 48 ASP CB C 48 40.076 40.076 41.415 -1.339 19002 1900 1 5 . 1 1 48 48 ASP H H 48 8.316 8.316 7.388 0.928 19002 1901 1 5 . 1 1 49 49 ARG N N 49 120.274 120.274 120.799 -0.525 19002 1902 1 5 . 1 1 49 49 ARG HA H 49 3.952 3.952 3.953 -0.001 19002 1903 1 5 . 1 1 49 49 ARG C C 49 178.454 178.454 178.022 0.432 19002 1904 1 5 . 1 1 49 49 ARG CA C 49 58.133 58.133 58.970 -0.837 19002 1905 1 5 . 1 1 49 49 ARG CB C 49 29.231 29.231 30.125 -0.894 19002 1906 1 5 . 1 1 49 49 ARG H H 49 8.459 8.459 8.290 0.169 19002 1907 1 5 . 1 1 50 50 GLU N N 50 118.834 118.834 118.555 0.279 19002 1908 1 5 . 1 1 50 50 GLU HA H 50 4.101 4.101 4.374 -0.273 19002 1909 1 5 . 1 1 50 50 GLU C C 50 178.353 178.353 178.781 -0.428 19002 1910 1 5 . 1 1 50 50 GLU CA C 50 58.928 58.928 58.930 -0.002 19002 1911 1 5 . 1 1 50 50 GLU CB C 50 29.530 29.530 28.813 0.717 19002 1912 1 5 . 1 1 50 50 GLU H H 50 7.734 7.734 8.275 -0.541 19002 1913 1 5 . 1 1 51 51 ARG N N 51 119.239 119.239 118.381 0.858 19002 1914 1 5 . 1 1 51 51 ARG HA H 51 4.240 4.240 4.126 0.114 19002 1915 1 5 . 1 1 51 51 ARG C C 51 178.370 178.370 178.776 -0.406 19002 1916 1 5 . 1 1 51 51 ARG CA C 51 58.105 58.105 58.900 -0.795 19002 1917 1 5 . 1 1 51 51 ARG CB C 51 30.649 30.649 30.141 0.508 19002 1918 1 5 . 1 1 51 51 ARG H H 51 7.694 7.694 7.295 0.399 19002 1919 1 5 . 1 1 52 52 GLU N N 52 119.667 119.667 119.576 0.091 19002 1920 1 5 . 1 1 52 52 GLU HA H 52 4.099 4.099 4.071 0.028 19002 1921 1 5 . 1 1 52 52 GLU C C 52 178.370 178.370 178.911 -0.541 19002 1922 1 5 . 1 1 52 52 GLU CA C 52 58.538 58.538 58.859 -0.321 19002 1923 1 5 . 1 1 52 52 GLU CB C 52 29.661 29.661 29.093 0.568 19002 1924 1 5 . 1 1 52 52 GLU H H 52 8.299 8.299 8.106 0.193 19002 1925 1 5 . 1 1 53 53 GLU N N 53 119.152 119.152 118.334 0.818 19002 1926 1 5 . 1 1 53 53 GLU HA H 53 4.210 4.210 4.078 0.132 19002 1927 1 5 . 1 1 53 53 GLU C C 53 177.740 177.740 177.829 -0.089 19002 1928 1 5 . 1 1 53 53 GLU CA C 53 58.172 58.172 58.617 -0.445 19002 1929 1 5 . 1 1 53 53 GLU CB C 53 29.530 29.530 29.405 0.124 19002 1930 1 5 . 1 1 53 53 GLU H H 53 8.098 8.098 8.328 -0.230 19002 1931 1 5 . 1 1 54 54 GLU N N 54 120.097 120.097 118.469 1.628 19002 1932 1 5 . 1 1 54 54 GLU HA H 54 4.212 4.212 4.249 -0.037 19002 1933 1 5 . 1 1 54 54 GLU C C 54 177.443 177.443 177.558 -0.115 19002 1934 1 5 . 1 1 54 54 GLU CA C 54 58.081 58.081 57.966 0.115 19002 1935 1 5 . 1 1 54 54 GLU CB C 54 29.788 29.788 29.894 -0.106 19002 1936 1 5 . 1 1 54 54 GLU H H 54 7.968 7.968 7.758 0.210 19002 1937 1 5 . 1 1 55 55 LEU N N 55 120.563 120.563 118.017 2.546 19002 1938 1 5 . 1 1 55 55 LEU HA H 55 4.288 4.288 4.182 0.106 19002 1939 1 5 . 1 1 55 55 LEU C C 55 177.735 177.735 178.339 -0.604 19002 1940 1 5 . 1 1 55 55 LEU CA C 55 56.070 56.070 56.286 -0.216 19002 1941 1 5 . 1 1 55 55 LEU CB C 55 42.062 42.062 42.306 -0.244 19002 1942 1 5 . 1 1 55 55 LEU H H 55 7.905 7.905 7.413 0.492 19002 1943 1 5 . 1 1 56 56 LEU N N 56 121.250 121.250 113.714 7.536 19002 1944 1 5 . 1 1 56 56 LEU HA H 56 4.312 4.312 3.847 0.465 19002 1945 1 5 . 1 1 56 56 LEU C C 56 177.726 177.726 176.611 1.115 19002 1946 1 5 . 1 1 56 56 LEU CA C 56 55.979 55.979 56.786 -0.807 19002 1947 1 5 . 1 1 56 56 LEU CB C 56 42.635 42.635 40.657 1.978 19002 1948 1 5 . 1 1 56 56 LEU H H 56 7.859 7.859 7.945 -0.086 19002 1949 1 5 . 1 1 57 57 GLU N N 57 120.632 120.632 120.276 0.356 19002 1950 1 5 . 1 1 57 57 GLU HA H 57 4.283 4.283 4.491 -0.208 19002 1951 1 5 . 1 1 57 57 GLU C C 57 176.553 176.553 176.243 0.310 19002 1952 1 5 . 1 1 57 57 GLU CA C 57 57.076 57.076 55.729 1.347 19002 1953 1 5 . 1 1 57 57 GLU CB C 57 30.052 30.052 30.556 -0.504 19002 1954 1 5 . 1 1 57 57 GLU H H 57 8.153 8.153 8.276 -0.123 19002 1955 1 5 . 1 1 58 58 ARG N N 58 121.282 121.282 122.641 -1.359 19002 1956 1 5 . 1 1 58 58 ARG HA H 58 4.372 4.372 4.262 0.110 19002 1957 1 5 . 1 1 58 58 ARG C C 58 176.169 176.169 177.059 -0.890 19002 1958 1 5 . 1 1 58 58 ARG CA C 58 56.344 56.344 56.240 0.104 19002 1959 1 5 . 1 1 58 58 ARG CB C 58 31.102 31.102 29.838 1.264 19002 1960 1 5 . 1 1 58 58 ARG H H 58 8.146 8.146 8.947 -0.801 19002 1961 1 5 . 1 1 59 59 ASP N N 59 121.619 121.619 118.837 2.782 19002 1962 1 5 . 1 1 59 59 ASP HA H 59 4.639 4.639 4.421 0.218 19002 1963 1 5 . 1 1 59 59 ASP C C 59 176.553 176.553 176.970 -0.417 19002 1964 1 5 . 1 1 59 59 ASP CA C 59 54.768 54.768 57.811 -3.043 19002 1965 1 5 . 1 1 59 59 ASP CB C 59 41.256 41.256 40.046 1.210 19002 1966 1 5 . 1 1 59 59 ASP H H 59 8.386 8.386 8.671 -0.285 19002 1967 1 5 . 1 1 60 60 GLU N N 60 121.214 121.214 120.614 0.600 19002 1968 1 5 . 1 1 60 60 GLU HA H 60 4.273 4.273 4.365 -0.092 19002 1969 1 5 . 1 1 60 60 GLU C C 60 176.876 176.876 177.852 -0.976 19002 1970 1 5 . 1 1 60 60 GLU CA C 60 57.361 57.361 57.275 0.086 19002 1971 1 5 . 1 1 60 60 GLU CB C 60 30.425 30.425 29.813 0.612 19002 1972 1 5 . 1 1 60 60 GLU H H 60 8.372 8.372 8.246 0.126 19002 1973 1 5 . 1 1 61 61 GLU N N 61 121.077 121.077 118.952 2.125 19002 1974 1 5 . 1 1 61 61 GLU HA H 61 4.210 4.210 4.066 0.144 19002 1975 1 5 . 1 1 61 61 GLU C C 61 176.832 176.832 176.941 -0.109 19002 1976 1 5 . 1 1 61 61 GLU CA C 61 57.734 57.734 58.811 -1.077 19002 1977 1 5 . 1 1 61 61 GLU CB C 61 30.425 30.425 29.807 0.618 19002 1978 1 5 . 1 1 61 61 GLU H H 61 8.384 8.384 7.907 0.477 19002 1979 1 5 . 1 1 62 62 GLU N N 62 121.155 121.155 116.173 4.982 19002 1980 1 5 . 1 1 62 62 GLU HA H 62 4.249 4.249 4.508 -0.259 19002 1981 1 5 . 1 1 62 62 GLU C C 62 176.432 176.432 174.555 1.877 19002 1982 1 5 . 1 1 62 62 GLU CA C 62 57.137 57.137 56.852 0.285 19002 1983 1 5 . 1 1 62 62 GLU CB C 62 30.425 30.425 31.225 -0.800 19002 1984 1 5 . 1 1 62 62 GLU H H 62 8.300 8.300 7.617 0.683 19002 1985 1 5 . 1 1 63 63 ALA N N 63 124.607 124.607 123.590 1.017 19002 1986 1 5 . 1 1 63 63 ALA HA H 63 4.293 4.293 4.405 -0.112 19002 1987 1 5 . 1 1 63 63 ALA C C 63 177.483 177.483 175.807 1.676 19002 1988 1 5 . 1 1 63 63 ALA CA C 63 52.915 52.915 52.060 0.855 19002 1989 1 5 . 1 1 63 63 ALA CB C 63 19.070 19.070 19.532 -0.463 19002 1990 1 5 . 1 1 63 63 ALA H H 63 8.178 8.178 8.140 0.038 19002 1991 1 5 . 1 1 64 64 ILE N N 64 118.941 118.941 121.404 -2.463 19002 1992 1 5 . 1 1 64 64 ILE HA H 64 4.076 4.076 4.411 -0.335 19002 1993 1 5 . 1 1 64 64 ILE C C 64 176.047 176.047 175.015 1.032 19002 1994 1 5 . 1 1 64 64 ILE CA C 64 61.342 61.342 61.177 0.165 19002 1995 1 5 . 1 1 64 64 ILE CB C 64 38.700 38.700 40.075 -1.375 19002 1996 1 5 . 1 1 64 64 ILE H H 64 7.872 7.872 8.010 -0.138 19002 1997 1 5 . 1 1 65 65 PHE N N 65 122.809 122.809 119.629 3.180 19002 1998 1 5 . 1 1 65 65 PHE HA H 65 4.615 4.615 4.611 0.004 19002 1999 1 5 . 1 1 65 65 PHE C C 65 176.270 176.270 176.515 -0.245 19002 2000 1 5 . 1 1 65 65 PHE CA C 65 57.807 57.807 58.636 -0.829 19002 2001 1 5 . 1 1 65 65 PHE CB C 65 39.827 39.827 39.077 0.750 19002 2002 1 5 . 1 1 65 65 PHE H H 65 8.188 8.188 7.540 0.648 19002 2003 1 5 . 1 1 66 66 GLY N N 66 110.278 110.278 111.505 -1.227 19002 2004 1 5 . 1 1 66 66 GLY C C 66 173.802 173.802 173.832 -0.030 19002 2005 1 5 . 1 1 66 66 GLY CA C 66 45.391 45.391 44.684 0.706 19002 2006 1 5 . 1 1 66 66 GLY H H 66 8.213 8.213 8.772 -0.559 19002 2007 1 5 . 1 1 67 67 ASP N N 67 120.510 120.510 120.670 -0.160 19002 2008 1 5 . 1 1 67 67 ASP HA H 67 4.599 4.599 4.262 0.337 19002 2009 1 5 . 1 1 67 67 ASP C C 67 176.897 176.897 176.193 0.704 19002 2010 1 5 . 1 1 67 67 ASP CA C 67 54.425 54.425 55.029 -0.604 19002 2011 1 5 . 1 1 67 67 ASP CB C 67 41.265 41.265 40.494 0.771 19002 2012 1 5 . 1 1 67 67 ASP H H 67 8.254 8.254 8.040 0.214 19002 2013 1 5 . 1 1 68 68 GLY N N 68 108.789 108.789 109.199 -0.410 19002 2014 1 5 . 1 1 68 68 GLY C C 68 174.307 174.307 172.741 1.566 19002 2015 1 5 . 1 1 68 68 GLY CA C 68 46.020 46.020 44.654 1.366 19002 2016 1 5 . 1 1 68 68 GLY H H 68 8.342 8.342 8.025 0.317 19002 2017 1 5 . 1 1 69 69 PHE N N 69 119.903 119.903 117.473 2.430 19002 2018 1 5 . 1 1 69 69 PHE HA H 69 4.599 4.599 5.075 -0.476 19002 2019 1 5 . 1 1 69 69 PHE C C 69 176.432 176.432 176.059 0.373 19002 2020 1 5 . 1 1 69 69 PHE CA C 69 58.146 58.146 54.763 3.383 19002 2021 1 5 . 1 1 69 69 PHE CB C 69 39.339 39.339 37.928 1.411 19002 2022 1 5 . 1 1 69 69 PHE H H 69 8.178 8.178 7.862 0.316 19002 2023 1 5 . 1 1 70 70 GLY N N 70 110.089 110.089 108.657 1.432 19002 2024 1 5 . 1 1 70 70 GLY C C 70 174.227 174.227 175.088 -0.861 19002 2025 1 5 . 1 1 70 70 GLY CA C 70 45.628 45.628 44.957 0.671 19002 2026 1 5 . 1 1 70 70 GLY H H 70 8.382 8.382 8.357 0.025 19002 2027 1 5 . 1 1 71 71 LEU N N 71 121.600 121.600 119.733 1.867 19002 2028 1 5 . 1 1 71 71 LEU HA H 71 4.290 4.290 4.327 -0.037 19002 2029 1 5 . 1 1 71 71 LEU C C 71 177.645 177.645 177.271 0.374 19002 2030 1 5 . 1 1 71 71 LEU CA C 71 55.500 55.500 54.562 0.938 19002 2031 1 5 . 1 1 71 71 LEU CB C 71 42.400 42.400 42.588 -0.188 19002 2032 1 5 . 1 1 71 71 LEU H H 71 8.069 8.069 7.472 0.597 19002 2033 1 5 . 1 1 72 72 LYS N N 72 121.214 121.214 119.679 1.535 19002 2034 1 5 . 1 1 72 72 LYS HA H 72 4.283 4.283 4.232 0.051 19002 2035 1 5 . 1 1 72 72 LYS C C 72 176.553 176.553 175.337 1.216 19002 2036 1 5 . 1 1 72 72 LYS CA C 72 56.594 56.594 56.442 0.152 19002 2037 1 5 . 1 1 72 72 LYS CB C 72 32.765 32.765 32.898 -0.133 19002 2038 1 5 . 1 1 72 72 LYS H H 72 8.372 8.372 8.274 0.098 19002 2039 1 5 . 1 1 73 73 ALA N N 73 124.187 124.187 127.041 -2.854 19002 2040 1 5 . 1 1 73 73 ALA HA H 73 4.347 4.347 4.701 -0.354 19002 2041 1 5 . 1 1 73 73 ALA C C 73 178.009 178.009 176.324 1.685 19002 2042 1 5 . 1 1 73 73 ALA CA C 73 52.597 52.597 51.316 1.281 19002 2043 1 5 . 1 1 73 73 ALA CB C 73 19.239 19.239 19.825 -0.586 19002 2044 1 5 . 1 1 73 73 ALA H H 73 8.188 8.188 8.458 -0.270 19002 2045 1 5 . 1 1 74 74 THR N N 74 112.973 112.973 118.025 -5.052 19002 2046 1 5 . 1 1 74 74 THR HA H 74 4.339 4.339 4.258 0.081 19002 2047 1 5 . 1 1 74 74 THR C C 74 174.753 174.753 174.823 -0.070 19002 2048 1 5 . 1 1 74 74 THR CA C 74 62.046 62.046 62.922 -0.876 19002 2049 1 5 . 1 1 74 74 THR CB C 74 69.779 69.779 69.211 0.568 19002 2050 1 5 . 1 1 74 74 THR H H 74 8.054 8.054 8.443 -0.389 19002 2051 1 5 . 1 1 75 75 ARG N N 75 123.112 123.112 122.705 0.407 19002 2052 1 5 . 1 1 75 75 ARG HA H 75 4.371 4.371 3.959 0.412 19002 2053 1 5 . 1 1 75 75 ARG C C 75 176.411 176.411 176.486 -0.075 19002 2054 1 5 . 1 1 75 75 ARG CA C 75 56.801 56.801 57.373 -0.573 19002 2055 1 5 . 1 1 75 75 ARG CB C 75 30.798 30.798 27.450 3.348 19002 2056 1 5 . 1 1 75 75 ARG H H 75 8.296 8.296 8.679 -0.383 19002 2057 1 5 . 1 1 76 76 ARG N N 76 121.977 121.977 118.022 3.955 19002 2058 1 5 . 1 1 76 76 ARG HA H 76 4.362 4.362 4.210 0.152 19002 2059 1 5 . 1 1 76 76 ARG C C 76 176.411 176.411 177.220 -0.809 19002 2060 1 5 . 1 1 76 76 ARG CA C 76 56.689 56.689 57.890 -1.201 19002 2061 1 5 . 1 1 76 76 ARG CB C 76 30.873 30.873 30.438 0.435 19002 2062 1 5 . 1 1 76 76 ARG H H 76 8.360 8.360 7.825 0.535 19002 2063 1 5 . 1 1 77 77 SER N N 77 116.981 116.981 115.140 1.841 19002 2064 1 5 . 1 1 77 77 SER HA H 77 4.483 4.483 4.696 -0.213 19002 2065 1 5 . 1 1 77 77 SER C C 77 174.672 174.672 174.986 -0.314 19002 2066 1 5 . 1 1 77 77 SER CA C 77 58.497 58.497 56.576 1.921 19002 2067 1 5 . 1 1 77 77 SER CB C 77 63.839 63.839 62.381 1.458 19002 2068 1 5 . 1 1 77 77 SER H H 77 8.325 8.325 8.074 0.251 19002 2069 1 5 . 1 1 78 78 ARG N N 78 123.324 123.324 125.499 -2.175 19002 2070 1 5 . 1 1 78 78 ARG HA H 78 4.377 4.377 4.069 0.308 19002 2071 1 5 . 1 1 78 78 ARG C C 78 176.492 176.492 177.001 -0.509 19002 2072 1 5 . 1 1 78 78 ARG CA C 78 56.619 56.619 58.128 -1.509 19002 2073 1 5 . 1 1 78 78 ARG CB C 78 30.873 30.873 30.320 0.553 19002 2074 1 5 . 1 1 78 78 ARG H H 78 8.421 8.421 7.758 0.663 19002 2075 1 5 . 1 1 79 79 LYS N N 79 122.352 122.352 115.816 6.536 19002 2076 1 5 . 1 1 79 79 LYS HA H 79 4.266 4.266 4.271 -0.005 19002 2077 1 5 . 1 1 79 79 LYS C C 79 176.472 176.472 176.822 -0.350 19002 2078 1 5 . 1 1 79 79 LYS CA C 79 57.076 57.076 57.459 -0.383 19002 2079 1 5 . 1 1 79 79 LYS CB C 79 33.186 33.186 32.015 1.171 19002 2080 1 5 . 1 1 79 79 LYS H H 79 8.300 8.300 8.305 -0.005 19002 2081 1 5 . 1 1 80 80 ALA N N 80 124.816 124.816 124.522 0.294 19002 2082 1 5 . 1 1 80 80 ALA HA H 80 4.308 4.308 4.498 -0.190 19002 2083 1 5 . 1 1 80 80 ALA C C 80 177.787 177.787 176.957 0.830 19002 2084 1 5 . 1 1 80 80 ALA CA C 80 52.597 52.597 51.552 1.045 19002 2085 1 5 . 1 1 80 80 ALA CB C 80 19.180 19.180 17.253 1.927 19002 2086 1 5 . 1 1 80 80 ALA H H 80 8.269 8.269 7.519 0.750 19002 2087 1 5 . 1 1 81 81 GLU N N 81 120.243 120.243 119.248 0.995 19002 2088 1 5 . 1 1 81 81 GLU HA H 81 4.278 4.278 4.219 0.059 19002 2089 1 5 . 1 1 81 81 GLU C C 81 176.614 176.614 176.876 -0.262 19002 2090 1 5 . 1 1 81 81 GLU CA C 81 56.893 56.893 56.640 0.253 19002 2091 1 5 . 1 1 81 81 GLU CB C 81 30.374 30.374 29.714 0.660 19002 2092 1 5 . 1 1 81 81 GLU H H 81 8.283 8.283 7.823 0.460 19002 2093 1 5 . 1 1 82 82 ARG N N 82 121.743 121.743 120.424 1.319 19002 2094 1 5 . 1 1 82 82 ARG HA H 82 4.378 4.378 4.425 -0.047 19002 2095 1 5 . 1 1 82 82 ARG C C 82 175.946 175.946 175.839 0.107 19002 2096 1 5 . 1 1 82 82 ARG CA C 82 56.047 56.047 55.380 0.666 19002 2097 1 5 . 1 1 82 82 ARG CB C 82 30.757 30.757 31.130 -0.373 19002 2098 1 5 . 1 1 82 82 ARG H H 82 8.256 8.256 7.851 0.405 19002 2099 1 5 . 1 1 83 83 ALA N N 83 125.049 125.049 125.345 -0.296 19002 2100 1 5 . 1 1 83 83 ALA HA H 83 4.313 4.313 4.429 -0.116 19002 2101 1 5 . 1 1 83 83 ALA C C 83 177.322 177.322 177.163 0.159 19002 2102 1 5 . 1 1 83 83 ALA CA C 83 52.872 52.872 52.675 0.197 19002 2103 1 5 . 1 1 83 83 ALA CB C 83 19.239 19.239 18.657 0.582 19002 2104 1 5 . 1 1 83 83 ALA H H 83 8.241 8.241 8.653 -0.412 19002 2105 1 5 . 1 1 84 84 LYS N N 84 121.088 121.088 118.197 2.891 19002 2106 1 5 . 1 1 84 84 LYS HA H 84 4.286 4.286 4.506 -0.220 19002 2107 1 5 . 1 1 84 84 LYS C C 84 175.460 175.460 175.249 0.211 19002 2108 1 5 . 1 1 84 84 LYS CA C 84 56.316 56.316 55.822 0.494 19002 2109 1 5 . 1 1 84 84 LYS CB C 84 32.923 32.923 32.701 0.222 19002 2110 1 5 . 1 1 84 84 LYS H H 84 8.186 8.186 8.364 -0.178 19002 2111 1 6 . 1 1 12 12 ARG N N 12 121.400 121.400 122.825 -1.425 19002 2112 1 6 . 1 1 12 12 ARG HA H 12 4.640 4.640 4.591 0.049 19002 2113 1 6 . 1 1 12 12 ARG C C 12 174.242 174.242 174.831 -0.589 19002 2114 1 6 . 1 1 12 12 ARG CA C 12 53.900 53.900 54.205 -0.305 19002 2115 1 6 . 1 1 12 12 ARG CB C 12 30.400 30.400 31.017 -0.618 19002 2116 1 6 . 1 1 12 12 ARG H H 12 8.140 8.140 8.374 -0.234 19002 2117 1 6 . 1 1 13 13 PRO HA H 13 4.457 4.457 4.538 -0.081 19002 2118 1 6 . 1 1 13 13 PRO C C 13 177.524 177.524 176.123 1.401 19002 2119 1 6 . 1 1 13 13 PRO CA C 13 63.259 63.259 62.713 0.546 19002 2120 1 6 . 1 1 13 13 PRO CB C 13 32.067 32.067 30.718 1.349 19002 2121 1 6 . 1 1 14 14 GLY N N 14 109.192 109.192 109.723 -0.531 19002 2122 1 6 . 1 1 14 14 GLY C C 14 174.227 174.227 175.067 -0.840 19002 2123 1 6 . 1 1 14 14 GLY CA C 14 45.497 45.497 45.615 -0.118 19002 2124 1 6 . 1 1 14 14 GLY H H 14 8.467 8.467 8.121 0.346 19002 2125 1 6 . 1 1 15 15 VAL N N 15 119.157 119.157 116.320 2.837 19002 2126 1 6 . 1 1 15 15 VAL HA H 15 4.081 4.081 4.179 -0.098 19002 2127 1 6 . 1 1 15 15 VAL C C 15 175.986 175.986 175.904 0.082 19002 2128 1 6 . 1 1 15 15 VAL CA C 15 62.529 62.529 63.629 -1.100 19002 2129 1 6 . 1 1 15 15 VAL CB C 15 32.491 32.491 32.181 0.310 19002 2130 1 6 . 1 1 15 15 VAL H H 15 7.837 7.837 7.885 -0.048 19002 2131 1 6 . 1 1 16 16 PHE N N 16 123.110 123.110 119.180 3.930 19002 2132 1 6 . 1 1 16 16 PHE HA H 16 4.614 4.614 4.695 -0.081 19002 2133 1 6 . 1 1 16 16 PHE C C 16 175.804 175.804 175.317 0.487 19002 2134 1 6 . 1 1 16 16 PHE CA C 16 58.398 58.398 58.956 -0.558 19002 2135 1 6 . 1 1 16 16 PHE CB C 16 39.475 39.475 40.047 -0.572 19002 2136 1 6 . 1 1 16 16 PHE H H 16 8.265 8.265 7.653 0.612 19002 2137 1 6 . 1 1 17 17 ARG N N 17 122.074 122.074 119.581 2.493 19002 2138 1 6 . 1 1 17 17 ARG HA H 17 4.323 4.323 4.185 0.138 19002 2139 1 6 . 1 1 17 17 ARG C C 17 176.452 176.452 174.683 1.769 19002 2140 1 6 . 1 1 17 17 ARG CA C 17 56.710 56.710 57.126 -0.416 19002 2141 1 6 . 1 1 17 17 ARG CB C 17 30.937 30.937 27.970 2.967 19002 2142 1 6 . 1 1 17 17 ARG H H 17 8.155 8.155 8.780 -0.625 19002 2143 1 6 . 1 1 18 18 THR N N 18 114.223 114.223 106.290 7.933 19002 2144 1 6 . 1 1 18 18 THR HA H 18 4.231 4.231 4.212 0.019 19002 2145 1 6 . 1 1 18 18 THR C C 18 174.348 174.348 174.966 -0.618 19002 2146 1 6 . 1 1 18 18 THR CA C 18 62.410 62.410 62.087 0.322 19002 2147 1 6 . 1 1 18 18 THR CB C 18 69.509 69.509 70.262 -0.753 19002 2148 1 6 . 1 1 18 18 THR H H 18 8.015 8.015 7.992 0.023 19002 2149 1 6 . 1 1 19 19 ARG N N 19 120.957 120.957 122.450 -1.493 19002 2150 1 6 . 1 1 19 19 ARG HA H 19 4.323 4.323 4.146 0.177 19002 2151 1 6 . 1 1 19 19 ARG C C 19 175.986 175.986 175.690 0.296 19002 2152 1 6 . 1 1 19 19 ARG CA C 19 56.093 56.093 58.676 -2.583 19002 2153 1 6 . 1 1 19 19 ARG CB C 19 30.480 30.480 29.453 1.027 19002 2154 1 6 . 1 1 19 19 ARG H H 19 8.080 8.080 8.728 -0.648 19002 2155 1 6 . 1 1 20 20 GLY N N 20 107.963 107.963 105.383 2.580 19002 2156 1 6 . 1 1 20 20 GLY C C 20 173.802 173.802 173.334 0.468 19002 2157 1 6 . 1 1 20 20 GLY CA C 20 45.273 45.273 45.093 0.180 19002 2158 1 6 . 1 1 20 20 GLY H H 20 8.241 8.241 8.431 -0.190 19002 2159 1 6 . 1 1 21 21 LEU N N 21 121.181 121.181 122.901 -1.720 19002 2160 1 6 . 1 1 21 21 LEU HA H 21 4.770 4.770 4.454 0.316 19002 2161 1 6 . 1 1 21 21 LEU C C 21 178.414 178.414 177.177 1.237 19002 2162 1 6 . 1 1 21 21 LEU CA C 21 54.677 54.677 55.957 -1.280 19002 2163 1 6 . 1 1 21 21 LEU CB C 21 43.142 43.142 42.191 0.951 19002 2164 1 6 . 1 1 21 21 LEU H H 21 7.967 7.967 7.685 0.282 19002 2165 1 6 . 1 1 22 22 THR N N 22 114.494 114.494 118.961 -4.467 19002 2166 1 6 . 1 1 22 22 THR HA H 22 4.558 4.558 4.488 0.070 19002 2167 1 6 . 1 1 22 22 THR C C 22 175.359 175.359 175.317 0.042 19002 2168 1 6 . 1 1 22 22 THR CA C 22 61.316 61.316 60.792 0.524 19002 2169 1 6 . 1 1 22 22 THR CB C 22 71.015 71.015 70.665 0.350 19002 2170 1 6 . 1 1 22 22 THR H H 22 9.075 9.075 8.993 0.082 19002 2171 1 6 . 1 1 23 23 ASP N N 23 121.204 121.204 120.690 0.514 19002 2172 1 6 . 1 1 23 23 ASP HA H 23 4.485 4.485 4.353 0.132 19002 2173 1 6 . 1 1 23 23 ASP C C 23 178.697 178.697 178.427 0.270 19002 2174 1 6 . 1 1 23 23 ASP CA C 23 58.315 58.315 58.744 -0.429 19002 2175 1 6 . 1 1 23 23 ASP CB C 23 39.931 39.931 40.614 -0.683 19002 2176 1 6 . 1 1 23 23 ASP H H 23 8.943 8.943 8.800 0.143 19002 2177 1 6 . 1 1 24 24 GLU N N 24 119.241 119.241 118.993 0.248 19002 2178 1 6 . 1 1 24 24 GLU HA H 24 4.199 4.199 4.128 0.071 19002 2179 1 6 . 1 1 24 24 GLU C C 24 179.911 179.911 178.672 1.239 19002 2180 1 6 . 1 1 24 24 GLU CA C 24 59.973 59.973 59.236 0.737 19002 2181 1 6 . 1 1 24 24 GLU CB C 24 29.306 29.306 29.107 0.199 19002 2182 1 6 . 1 1 24 24 GLU H H 24 8.741 8.741 8.835 -0.094 19002 2183 1 6 . 1 1 25 25 GLU N N 25 121.151 121.151 121.303 -0.152 19002 2184 1 6 . 1 1 25 25 GLU HA H 25 4.200 4.200 4.204 -0.004 19002 2185 1 6 . 1 1 25 25 GLU C C 25 178.394 178.394 178.983 -0.589 19002 2186 1 6 . 1 1 25 25 GLU CA C 25 59.178 59.178 59.001 0.177 19002 2187 1 6 . 1 1 25 25 GLU CB C 25 30.873 30.873 29.869 1.004 19002 2188 1 6 . 1 1 25 25 GLU H H 25 7.801 7.801 7.673 0.128 19002 2189 1 6 . 1 1 26 26 TYR N N 26 120.692 120.692 120.773 -0.081 19002 2190 1 6 . 1 1 26 26 TYR HA H 26 4.184 4.184 4.100 0.084 19002 2191 1 6 . 1 1 26 26 TYR C C 26 177.483 177.483 177.360 0.123 19002 2192 1 6 . 1 1 26 26 TYR CA C 26 61.924 61.924 61.392 0.533 19002 2193 1 6 . 1 1 26 26 TYR CB C 26 37.837 37.837 38.681 -0.844 19002 2194 1 6 . 1 1 26 26 TYR H H 26 8.897 8.897 8.816 0.081 19002 2195 1 6 . 1 1 27 27 ASP N N 27 118.898 118.898 119.457 -0.559 19002 2196 1 6 . 1 1 27 27 ASP HA H 27 4.338 4.338 4.195 0.143 19002 2197 1 6 . 1 1 27 27 ASP C C 27 178.535 178.535 178.210 0.325 19002 2198 1 6 . 1 1 27 27 ASP CA C 27 57.864 57.864 58.065 -0.201 19002 2199 1 6 . 1 1 27 27 ASP CB C 27 40.797 40.797 40.811 -0.014 19002 2200 1 6 . 1 1 27 27 ASP H H 27 8.135 8.135 8.299 -0.164 19002 2201 1 6 . 1 1 28 28 GLU N N 28 121.020 121.020 120.238 0.782 19002 2202 1 6 . 1 1 28 28 GLU HA H 28 4.101 4.101 4.045 0.056 19002 2203 1 6 . 1 1 28 28 GLU C C 28 178.394 178.394 178.689 -0.295 19002 2204 1 6 . 1 1 28 28 GLU CA C 28 59.450 59.450 59.377 0.073 19002 2205 1 6 . 1 1 28 28 GLU CB C 28 29.231 29.231 29.727 -0.496 19002 2206 1 6 . 1 1 28 28 GLU H H 28 7.655 7.655 7.982 -0.327 19002 2207 1 6 . 1 1 29 29 PHE N N 29 121.567 121.567 120.868 0.699 19002 2208 1 6 . 1 1 29 29 PHE HA H 29 3.765 3.765 4.088 -0.323 19002 2209 1 6 . 1 1 29 29 PHE C C 29 176.169 176.169 177.016 -0.847 19002 2210 1 6 . 1 1 29 29 PHE CA C 29 61.371 61.371 60.141 1.230 19002 2211 1 6 . 1 1 29 29 PHE CB C 29 37.588 37.588 38.332 -0.744 19002 2212 1 6 . 1 1 29 29 PHE H H 29 8.471 8.471 8.313 0.158 19002 2213 1 6 . 1 1 30 30 LYS N N 30 118.916 118.916 119.430 -0.514 19002 2214 1 6 . 1 1 30 30 LYS HA H 30 3.137 3.137 3.300 -0.163 19002 2215 1 6 . 1 1 30 30 LYS C C 30 179.445 179.445 178.858 0.587 19002 2216 1 6 . 1 1 30 30 LYS CA C 30 60.346 60.346 59.768 0.578 19002 2217 1 6 . 1 1 30 30 LYS CB C 30 31.992 31.992 31.861 0.131 19002 2218 1 6 . 1 1 30 30 LYS H H 30 8.287 8.287 8.216 0.071 19002 2219 1 6 . 1 1 31 31 LYS N N 31 120.113 120.113 119.374 0.739 19002 2220 1 6 . 1 1 31 31 LYS HA H 31 4.018 4.018 3.931 0.087 19002 2221 1 6 . 1 1 31 31 LYS C C 31 179.918 179.918 179.164 0.754 19002 2222 1 6 . 1 1 31 31 LYS CA C 31 59.700 59.700 59.704 -0.004 19002 2223 1 6 . 1 1 31 31 LYS CB C 31 32.300 32.300 32.298 0.002 19002 2224 1 6 . 1 1 31 31 LYS H H 31 7.690 7.690 8.211 -0.521 19002 2225 1 6 . 1 1 32 32 ARG N N 32 121.200 121.200 118.586 2.614 19002 2226 1 6 . 1 1 32 32 ARG HA H 32 3.893 3.893 3.843 0.050 19002 2227 1 6 . 1 1 32 32 ARG C C 32 178.990 178.990 178.445 0.545 19002 2228 1 6 . 1 1 32 32 ARG CA C 32 59.452 59.452 59.136 0.316 19002 2229 1 6 . 1 1 32 32 ARG CB C 32 31.284 31.284 30.157 1.127 19002 2230 1 6 . 1 1 32 32 ARG H H 32 8.299 8.299 8.259 0.040 19002 2231 1 6 . 1 1 33 33 ARG N N 33 120.223 120.223 119.438 0.785 19002 2232 1 6 . 1 1 33 33 ARG HA H 33 3.698 3.698 4.021 -0.323 19002 2233 1 6 . 1 1 33 33 ARG C C 33 178.697 178.697 177.916 0.781 19002 2234 1 6 . 1 1 33 33 ARG CA C 33 59.607 59.607 58.984 0.623 19002 2235 1 6 . 1 1 33 33 ARG CB C 33 29.570 29.570 29.918 -0.348 19002 2236 1 6 . 1 1 33 33 ARG H H 33 8.704 8.704 8.230 0.474 19002 2237 1 6 . 1 1 34 34 GLU N N 34 119.860 119.860 119.746 0.114 19002 2238 1 6 . 1 1 34 34 GLU HA H 34 4.046 4.046 3.981 0.065 19002 2239 1 6 . 1 1 34 34 GLU C C 34 179.850 179.850 179.159 0.691 19002 2240 1 6 . 1 1 34 34 GLU CA C 34 59.210 59.210 59.290 -0.080 19002 2241 1 6 . 1 1 34 34 GLU CB C 34 29.380 29.380 29.247 0.133 19002 2242 1 6 . 1 1 34 34 GLU H H 34 7.941 7.941 8.386 -0.445 19002 2243 1 6 . 1 1 35 35 SER N N 35 115.261 115.261 115.258 0.003 19002 2244 1 6 . 1 1 35 35 SER HA H 35 4.378 4.378 4.233 0.145 19002 2245 1 6 . 1 1 35 35 SER C C 35 175.339 175.339 175.483 -0.144 19002 2246 1 6 . 1 1 35 35 SER CA C 35 60.068 60.068 60.399 -0.331 19002 2247 1 6 . 1 1 35 35 SER CB C 35 63.321 63.321 63.190 0.131 19002 2248 1 6 . 1 1 35 35 SER H H 35 7.813 7.813 8.017 -0.204 19002 2249 1 6 . 1 1 36 36 ARG N N 36 119.557 119.557 119.710 -0.153 19002 2250 1 6 . 1 1 36 36 ARG HA H 36 4.439 4.439 4.567 -0.128 19002 2251 1 6 . 1 1 36 36 ARG C C 36 177.524 177.524 175.681 1.843 19002 2252 1 6 . 1 1 36 36 ARG CA C 36 55.794 55.794 54.277 1.517 19002 2253 1 6 . 1 1 36 36 ARG CB C 36 30.276 30.276 30.428 -0.152 19002 2254 1 6 . 1 1 36 36 ARG H H 36 7.459 7.459 7.243 0.216 19002 2255 1 6 . 1 1 37 37 GLY N N 37 109.722 109.722 107.068 2.654 19002 2256 1 6 . 1 1 37 37 GLY C C 37 175.117 175.117 175.298 -0.181 19002 2257 1 6 . 1 1 37 37 GLY CA C 37 46.691 46.691 45.827 0.864 19002 2258 1 6 . 1 1 37 37 GLY H H 37 7.981 7.981 8.072 -0.091 19002 2259 1 6 . 1 1 38 38 GLY N N 38 104.904 104.904 106.163 -1.259 19002 2260 1 6 . 1 1 38 38 GLY C C 38 174.489 174.489 174.704 -0.215 19002 2261 1 6 . 1 1 38 38 GLY CA C 38 45.012 45.012 44.857 0.155 19002 2262 1 6 . 1 1 38 38 GLY H H 38 8.271 8.271 8.590 -0.319 19002 2263 1 6 . 1 1 39 39 LYS N N 39 122.169 122.169 123.395 -1.226 19002 2264 1 6 . 1 1 39 39 LYS HA H 39 4.515 4.515 4.469 0.046 19002 2265 1 6 . 1 1 39 39 LYS C C 39 174.995 174.995 175.124 -0.129 19002 2266 1 6 . 1 1 39 39 LYS CA C 39 55.622 55.622 55.637 -0.015 19002 2267 1 6 . 1 1 39 39 LYS CB C 39 30.846 30.846 31.617 -0.771 19002 2268 1 6 . 1 1 39 39 LYS H H 39 7.471 7.471 7.679 -0.208 19002 2269 1 6 . 1 1 40 40 TYR N N 40 123.749 123.749 123.217 0.532 19002 2270 1 6 . 1 1 40 40 TYR HA H 40 4.893 4.893 4.623 0.270 19002 2271 1 6 . 1 1 40 40 TYR C C 40 173.883 173.883 173.628 0.255 19002 2272 1 6 . 1 1 40 40 TYR CA C 40 58.629 58.629 57.318 1.311 19002 2273 1 6 . 1 1 40 40 TYR CB C 40 40.871 40.871 40.186 0.685 19002 2274 1 6 . 1 1 40 40 TYR H H 40 7.687 7.687 7.951 -0.264 19002 2275 1 6 . 1 1 41 41 SER N N 41 124.561 124.561 121.010 3.551 19002 2276 1 6 . 1 1 41 41 SER HA H 41 5.061 5.061 4.666 0.395 19002 2277 1 6 . 1 1 41 41 SER C C 41 175.258 175.258 175.371 -0.113 19002 2278 1 6 . 1 1 41 41 SER CA C 41 56.913 56.913 56.690 0.223 19002 2279 1 6 . 1 1 41 41 SER CB C 41 67.136 67.136 64.531 2.605 19002 2280 1 6 . 1 1 41 41 SER H H 41 9.246 9.246 8.619 0.627 19002 2281 1 6 . 1 1 42 42 ILE N N 42 122.298 122.298 122.150 0.148 19002 2282 1 6 . 1 1 42 42 ILE HA H 42 3.384 3.384 3.018 0.365 19002 2283 1 6 . 1 1 42 42 ILE C C 42 176.573 176.573 177.071 -0.498 19002 2284 1 6 . 1 1 42 42 ILE CA C 42 63.317 63.317 64.304 -0.987 19002 2285 1 6 . 1 1 42 42 ILE CB C 42 37.290 37.290 38.059 -0.769 19002 2286 1 6 . 1 1 42 42 ILE H H 42 8.848 8.848 8.802 0.046 19002 2287 1 6 . 1 1 43 43 ASP N N 43 118.987 118.987 118.811 0.176 19002 2288 1 6 . 1 1 43 43 ASP HA H 43 4.317 4.317 4.283 0.034 19002 2289 1 6 . 1 1 43 43 ASP C C 43 178.940 178.940 178.115 0.825 19002 2290 1 6 . 1 1 43 43 ASP CA C 43 57.809 57.809 57.971 -0.162 19002 2291 1 6 . 1 1 43 43 ASP CB C 43 40.722 40.722 40.233 0.490 19002 2292 1 6 . 1 1 43 43 ASP H H 43 7.673 7.673 8.703 -1.030 19002 2293 1 6 . 1 1 44 44 ASP N N 44 121.961 121.961 119.367 2.594 19002 2294 1 6 . 1 1 44 44 ASP HA H 44 4.259 4.259 4.312 -0.053 19002 2295 1 6 . 1 1 44 44 ASP C C 44 177.564 177.564 178.209 -0.645 19002 2296 1 6 . 1 1 44 44 ASP CA C 44 57.624 57.624 56.880 0.744 19002 2297 1 6 . 1 1 44 44 ASP CB C 44 41.244 41.244 40.430 0.814 19002 2298 1 6 . 1 1 44 44 ASP H H 44 7.610 7.610 7.490 0.120 19002 2299 1 6 . 1 1 45 45 TYR N N 45 121.352 121.352 122.292 -0.940 19002 2300 1 6 . 1 1 45 45 TYR HA H 45 4.676 4.676 4.457 0.218 19002 2301 1 6 . 1 1 45 45 TYR C C 45 177.362 177.362 177.535 -0.173 19002 2302 1 6 . 1 1 45 45 TYR CA C 45 60.703 60.703 61.148 -0.445 19002 2303 1 6 . 1 1 45 45 TYR CB C 45 38.747 38.747 38.800 -0.053 19002 2304 1 6 . 1 1 45 45 TYR H H 45 7.750 7.750 7.366 0.384 19002 2305 1 6 . 1 1 46 46 LEU N N 46 118.650 118.650 119.230 -0.580 19002 2306 1 6 . 1 1 46 46 LEU HA H 46 3.697 3.697 3.741 -0.044 19002 2307 1 6 . 1 1 46 46 LEU C C 46 179.850 179.850 178.769 1.081 19002 2308 1 6 . 1 1 46 46 LEU CA C 46 57.807 57.807 57.633 0.174 19002 2309 1 6 . 1 1 46 46 LEU CB C 46 41.205 41.205 41.329 -0.124 19002 2310 1 6 . 1 1 46 46 LEU H H 46 8.544 8.544 8.972 -0.428 19002 2311 1 6 . 1 1 47 47 ALA N N 47 121.991 121.991 121.415 0.576 19002 2312 1 6 . 1 1 47 47 ALA HA H 47 4.190 4.190 3.894 0.296 19002 2313 1 6 . 1 1 47 47 ALA C C 47 180.457 180.457 179.102 1.355 19002 2314 1 6 . 1 1 47 47 ALA CA C 47 55.048 55.048 55.172 -0.124 19002 2315 1 6 . 1 1 47 47 ALA CB C 47 18.337 18.337 18.110 0.227 19002 2316 1 6 . 1 1 47 47 ALA H H 47 7.716 7.716 8.366 -0.650 19002 2317 1 6 . 1 1 48 48 ASP N N 48 120.788 120.788 118.310 2.478 19002 2318 1 6 . 1 1 48 48 ASP HA H 48 4.505 4.505 4.384 0.121 19002 2319 1 6 . 1 1 48 48 ASP C C 48 178.596 178.596 178.172 0.424 19002 2320 1 6 . 1 1 48 48 ASP CA C 48 57.361 57.361 56.946 0.415 19002 2321 1 6 . 1 1 48 48 ASP CB C 48 40.076 40.076 41.130 -1.054 19002 2322 1 6 . 1 1 48 48 ASP H H 48 8.316 8.316 7.489 0.827 19002 2323 1 6 . 1 1 49 49 ARG N N 49 120.274 120.274 120.530 -0.256 19002 2324 1 6 . 1 1 49 49 ARG HA H 49 3.952 3.952 4.009 -0.057 19002 2325 1 6 . 1 1 49 49 ARG C C 49 178.454 178.454 178.489 -0.035 19002 2326 1 6 . 1 1 49 49 ARG CA C 49 58.133 58.133 58.727 -0.594 19002 2327 1 6 . 1 1 49 49 ARG CB C 49 29.231 29.231 29.987 -0.756 19002 2328 1 6 . 1 1 49 49 ARG H H 49 8.459 8.459 8.165 0.294 19002 2329 1 6 . 1 1 50 50 GLU N N 50 118.834 118.834 118.092 0.742 19002 2330 1 6 . 1 1 50 50 GLU HA H 50 4.101 4.101 4.144 -0.043 19002 2331 1 6 . 1 1 50 50 GLU C C 50 178.353 178.353 178.690 -0.337 19002 2332 1 6 . 1 1 50 50 GLU CA C 50 58.928 58.928 59.223 -0.295 19002 2333 1 6 . 1 1 50 50 GLU CB C 50 29.530 29.530 29.052 0.478 19002 2334 1 6 . 1 1 50 50 GLU H H 50 7.734 7.734 8.218 -0.484 19002 2335 1 6 . 1 1 51 51 ARG N N 51 119.239 119.239 117.569 1.670 19002 2336 1 6 . 1 1 51 51 ARG HA H 51 4.240 4.240 4.113 0.127 19002 2337 1 6 . 1 1 51 51 ARG C C 51 178.370 178.370 178.768 -0.398 19002 2338 1 6 . 1 1 51 51 ARG CA C 51 58.105 58.105 58.937 -0.832 19002 2339 1 6 . 1 1 51 51 ARG CB C 51 30.649 30.649 30.324 0.325 19002 2340 1 6 . 1 1 51 51 ARG H H 51 7.694 7.694 7.246 0.448 19002 2341 1 6 . 1 1 52 52 GLU N N 52 119.667 119.667 119.546 0.121 19002 2342 1 6 . 1 1 52 52 GLU HA H 52 4.099 4.099 3.979 0.120 19002 2343 1 6 . 1 1 52 52 GLU C C 52 178.370 178.370 178.623 -0.253 19002 2344 1 6 . 1 1 52 52 GLU CA C 52 58.538 58.538 59.159 -0.621 19002 2345 1 6 . 1 1 52 52 GLU CB C 52 29.661 29.661 28.984 0.677 19002 2346 1 6 . 1 1 52 52 GLU H H 52 8.299 8.299 8.275 0.024 19002 2347 1 6 . 1 1 53 53 GLU N N 53 119.152 119.152 118.549 0.603 19002 2348 1 6 . 1 1 53 53 GLU HA H 53 4.210 4.210 3.981 0.229 19002 2349 1 6 . 1 1 53 53 GLU C C 53 177.740 177.740 178.599 -0.859 19002 2350 1 6 . 1 1 53 53 GLU CA C 53 58.172 58.172 59.227 -1.055 19002 2351 1 6 . 1 1 53 53 GLU CB C 53 29.530 29.530 29.302 0.228 19002 2352 1 6 . 1 1 53 53 GLU H H 53 8.098 8.098 7.806 0.292 19002 2353 1 6 . 1 1 54 54 GLU N N 54 120.097 120.097 116.313 3.784 19002 2354 1 6 . 1 1 54 54 GLU HA H 54 4.212 4.212 4.271 -0.059 19002 2355 1 6 . 1 1 54 54 GLU C C 54 177.443 177.443 178.935 -1.492 19002 2356 1 6 . 1 1 54 54 GLU CA C 54 58.081 58.081 57.839 0.242 19002 2357 1 6 . 1 1 54 54 GLU CB C 54 29.788 29.788 29.918 -0.130 19002 2358 1 6 . 1 1 54 54 GLU H H 54 7.968 7.968 7.744 0.224 19002 2359 1 6 . 1 1 55 55 LEU N N 55 120.563 120.563 120.596 -0.033 19002 2360 1 6 . 1 1 55 55 LEU HA H 55 4.288 4.288 4.307 -0.019 19002 2361 1 6 . 1 1 55 55 LEU C C 55 177.735 177.735 178.586 -0.851 19002 2362 1 6 . 1 1 55 55 LEU CA C 55 56.070 56.070 56.392 -0.322 19002 2363 1 6 . 1 1 55 55 LEU CB C 55 42.062 42.062 41.653 0.409 19002 2364 1 6 . 1 1 55 55 LEU H H 55 7.905 7.905 7.246 0.659 19002 2365 1 6 . 1 1 56 56 LEU N N 56 121.250 121.250 118.529 2.721 19002 2366 1 6 . 1 1 56 56 LEU HA H 56 4.312 4.312 4.111 0.201 19002 2367 1 6 . 1 1 56 56 LEU C C 56 177.726 177.726 178.210 -0.484 19002 2368 1 6 . 1 1 56 56 LEU CA C 56 55.979 55.979 57.341 -1.362 19002 2369 1 6 . 1 1 56 56 LEU CB C 56 42.635 42.635 41.944 0.691 19002 2370 1 6 . 1 1 56 56 LEU H H 56 7.859 7.859 7.936 -0.077 19002 2371 1 6 . 1 1 57 57 GLU N N 57 120.632 120.632 114.962 5.670 19002 2372 1 6 . 1 1 57 57 GLU HA H 57 4.283 4.283 4.452 -0.169 19002 2373 1 6 . 1 1 57 57 GLU C C 57 176.553 176.553 176.255 0.298 19002 2374 1 6 . 1 1 57 57 GLU CA C 57 57.076 57.076 56.147 0.929 19002 2375 1 6 . 1 1 57 57 GLU CB C 57 30.052 30.052 31.198 -1.146 19002 2376 1 6 . 1 1 57 57 GLU H H 57 8.153 8.153 7.811 0.342 19002 2377 1 6 . 1 1 58 58 ARG N N 58 121.282 121.282 118.667 2.615 19002 2378 1 6 . 1 1 58 58 ARG HA H 58 4.372 4.372 4.624 -0.252 19002 2379 1 6 . 1 1 58 58 ARG C C 58 176.169 176.169 174.870 1.299 19002 2380 1 6 . 1 1 58 58 ARG CA C 58 56.344 56.344 54.501 1.843 19002 2381 1 6 . 1 1 58 58 ARG CB C 58 31.102 31.102 32.897 -1.795 19002 2382 1 6 . 1 1 58 58 ARG H H 58 8.146 8.146 7.224 0.922 19002 2383 1 6 . 1 1 59 59 ASP N N 59 121.619 121.619 118.132 3.487 19002 2384 1 6 . 1 1 59 59 ASP HA H 59 4.639 4.639 4.340 0.299 19002 2385 1 6 . 1 1 59 59 ASP C C 59 176.553 176.553 177.166 -0.613 19002 2386 1 6 . 1 1 59 59 ASP CA C 59 54.768 54.768 57.329 -2.561 19002 2387 1 6 . 1 1 59 59 ASP CB C 59 41.256 41.256 39.992 1.264 19002 2388 1 6 . 1 1 59 59 ASP H H 59 8.386 8.386 8.865 -0.479 19002 2389 1 6 . 1 1 60 60 GLU N N 60 121.214 121.214 119.294 1.920 19002 2390 1 6 . 1 1 60 60 GLU HA H 60 4.273 4.273 4.188 0.085 19002 2391 1 6 . 1 1 60 60 GLU C C 60 176.876 176.876 176.966 -0.090 19002 2392 1 6 . 1 1 60 60 GLU CA C 60 57.361 57.361 58.106 -0.745 19002 2393 1 6 . 1 1 60 60 GLU CB C 60 30.425 30.425 29.833 0.592 19002 2394 1 6 . 1 1 60 60 GLU H H 60 8.372 8.372 8.080 0.292 19002 2395 1 6 . 1 1 61 61 GLU N N 61 121.077 121.077 117.209 3.868 19002 2396 1 6 . 1 1 61 61 GLU HA H 61 4.210 4.210 4.315 -0.105 19002 2397 1 6 . 1 1 61 61 GLU C C 61 176.832 176.832 176.028 0.804 19002 2398 1 6 . 1 1 61 61 GLU CA C 61 57.734 57.734 55.254 2.480 19002 2399 1 6 . 1 1 61 61 GLU CB C 61 30.425 30.425 28.549 1.876 19002 2400 1 6 . 1 1 61 61 GLU H H 61 8.384 8.384 7.434 0.950 19002 2401 1 6 . 1 1 62 62 GLU N N 62 121.155 121.155 119.516 1.639 19002 2402 1 6 . 1 1 62 62 GLU HA H 62 4.249 4.249 4.061 0.188 19002 2403 1 6 . 1 1 62 62 GLU C C 62 176.432 176.432 174.969 1.463 19002 2404 1 6 . 1 1 62 62 GLU CA C 62 57.137 57.137 57.271 -0.134 19002 2405 1 6 . 1 1 62 62 GLU CB C 62 30.425 30.425 28.990 1.435 19002 2406 1 6 . 1 1 62 62 GLU H H 62 8.300 8.300 7.527 0.773 19002 2407 1 6 . 1 1 63 63 ALA N N 63 124.607 124.607 125.556 -0.949 19002 2408 1 6 . 1 1 63 63 ALA HA H 63 4.293 4.293 4.217 0.076 19002 2409 1 6 . 1 1 63 63 ALA C C 63 177.483 177.483 176.344 1.139 19002 2410 1 6 . 1 1 63 63 ALA CA C 63 52.915 52.915 53.672 -0.757 19002 2411 1 6 . 1 1 63 63 ALA CB C 63 19.070 19.070 18.216 0.854 19002 2412 1 6 . 1 1 63 63 ALA H H 63 8.178 8.178 8.855 -0.677 19002 2413 1 6 . 1 1 64 64 ILE N N 64 118.941 118.941 117.644 1.297 19002 2414 1 6 . 1 1 64 64 ILE HA H 64 4.076 4.076 4.161 -0.085 19002 2415 1 6 . 1 1 64 64 ILE C C 64 176.047 176.047 176.403 -0.356 19002 2416 1 6 . 1 1 64 64 ILE CA C 64 61.342 61.342 61.004 0.338 19002 2417 1 6 . 1 1 64 64 ILE CB C 64 38.700 38.700 39.497 -0.797 19002 2418 1 6 . 1 1 64 64 ILE H H 64 7.872 7.872 8.196 -0.324 19002 2419 1 6 . 1 1 65 65 PHE N N 65 122.809 122.809 119.034 3.775 19002 2420 1 6 . 1 1 65 65 PHE HA H 65 4.615 4.615 4.622 -0.007 19002 2421 1 6 . 1 1 65 65 PHE C C 65 176.270 176.270 176.756 -0.486 19002 2422 1 6 . 1 1 65 65 PHE CA C 65 57.807 57.807 57.541 0.266 19002 2423 1 6 . 1 1 65 65 PHE CB C 65 39.827 39.827 39.091 0.736 19002 2424 1 6 . 1 1 65 65 PHE H H 65 8.188 8.188 8.067 0.121 19002 2425 1 6 . 1 1 66 66 GLY N N 66 110.278 110.278 110.071 0.207 19002 2426 1 6 . 1 1 66 66 GLY C C 66 173.802 173.802 174.066 -0.264 19002 2427 1 6 . 1 1 66 66 GLY CA C 66 45.391 45.391 46.334 -0.943 19002 2428 1 6 . 1 1 66 66 GLY H H 66 8.213 8.213 8.607 -0.394 19002 2429 1 6 . 1 1 67 67 ASP N N 67 120.510 120.510 123.105 -2.595 19002 2430 1 6 . 1 1 67 67 ASP HA H 67 4.599 4.599 4.670 -0.071 19002 2431 1 6 . 1 1 67 67 ASP C C 67 176.897 176.897 176.143 0.754 19002 2432 1 6 . 1 1 67 67 ASP CA C 67 54.425 54.425 53.870 0.555 19002 2433 1 6 . 1 1 67 67 ASP CB C 67 41.265 41.265 41.863 -0.598 19002 2434 1 6 . 1 1 67 67 ASP H H 67 8.254 8.254 8.354 -0.100 19002 2435 1 6 . 1 1 68 68 GLY N N 68 108.789 108.789 107.166 1.623 19002 2436 1 6 . 1 1 68 68 GLY C C 68 174.307 174.307 172.237 2.070 19002 2437 1 6 . 1 1 68 68 GLY CA C 68 46.020 46.020 45.023 0.997 19002 2438 1 6 . 1 1 68 68 GLY H H 68 8.342 8.342 7.434 0.908 19002 2439 1 6 . 1 1 69 69 PHE N N 69 119.903 119.903 116.306 3.597 19002 2440 1 6 . 1 1 69 69 PHE HA H 69 4.599 4.599 4.791 -0.192 19002 2441 1 6 . 1 1 69 69 PHE C C 69 176.432 176.432 176.358 0.074 19002 2442 1 6 . 1 1 69 69 PHE CA C 69 58.146 58.146 56.477 1.669 19002 2443 1 6 . 1 1 69 69 PHE CB C 69 39.339 39.339 40.821 -1.482 19002 2444 1 6 . 1 1 69 69 PHE H H 69 8.178 8.178 7.678 0.500 19002 2445 1 6 . 1 1 70 70 GLY N N 70 110.089 110.089 109.171 0.918 19002 2446 1 6 . 1 1 70 70 GLY C C 70 174.227 174.227 175.768 -1.541 19002 2447 1 6 . 1 1 70 70 GLY CA C 70 45.628 45.628 46.702 -1.074 19002 2448 1 6 . 1 1 70 70 GLY H H 70 8.382 8.382 9.158 -0.776 19002 2449 1 6 . 1 1 71 71 LEU N N 71 121.600 121.600 123.046 -1.446 19002 2450 1 6 . 1 1 71 71 LEU HA H 71 4.290 4.290 4.184 0.106 19002 2451 1 6 . 1 1 71 71 LEU C C 71 177.645 177.645 175.833 1.812 19002 2452 1 6 . 1 1 71 71 LEU CA C 71 55.500 55.500 57.347 -1.847 19002 2453 1 6 . 1 1 71 71 LEU CB C 71 42.400 42.400 42.372 0.028 19002 2454 1 6 . 1 1 71 71 LEU H H 71 8.069 8.069 7.693 0.376 19002 2455 1 6 . 1 1 72 72 LYS N N 72 121.214 121.214 116.764 4.450 19002 2456 1 6 . 1 1 72 72 LYS HA H 72 4.283 4.283 4.385 -0.102 19002 2457 1 6 . 1 1 72 72 LYS C C 72 176.553 176.553 174.602 1.951 19002 2458 1 6 . 1 1 72 72 LYS CA C 72 56.594 56.594 55.687 0.907 19002 2459 1 6 . 1 1 72 72 LYS CB C 72 32.765 32.765 31.020 1.745 19002 2460 1 6 . 1 1 72 72 LYS H H 72 8.372 8.372 8.373 -0.001 19002 2461 1 6 . 1 1 73 73 ALA N N 73 124.187 124.187 121.940 2.247 19002 2462 1 6 . 1 1 73 73 ALA HA H 73 4.347 4.347 4.571 -0.224 19002 2463 1 6 . 1 1 73 73 ALA C C 73 178.009 178.009 175.427 2.582 19002 2464 1 6 . 1 1 73 73 ALA CA C 73 52.597 52.597 51.983 0.613 19002 2465 1 6 . 1 1 73 73 ALA CB C 73 19.239 19.239 21.438 -2.199 19002 2466 1 6 . 1 1 73 73 ALA H H 73 8.188 8.188 7.525 0.663 19002 2467 1 6 . 1 1 74 74 THR N N 74 112.973 112.973 114.266 -1.293 19002 2468 1 6 . 1 1 74 74 THR HA H 74 4.339 4.339 3.929 0.410 19002 2469 1 6 . 1 1 74 74 THR C C 74 174.753 174.753 175.216 -0.463 19002 2470 1 6 . 1 1 74 74 THR CA C 74 62.046 62.046 62.860 -0.814 19002 2471 1 6 . 1 1 74 74 THR CB C 74 69.779 69.779 68.853 0.926 19002 2472 1 6 . 1 1 74 74 THR H H 74 8.054 8.054 9.390 -1.336 19002 2473 1 6 . 1 1 75 75 ARG N N 75 123.112 123.112 127.137 -4.025 19002 2474 1 6 . 1 1 75 75 ARG HA H 75 4.371 4.371 4.223 0.148 19002 2475 1 6 . 1 1 75 75 ARG C C 75 176.411 176.411 175.913 0.498 19002 2476 1 6 . 1 1 75 75 ARG CA C 75 56.801 56.801 56.545 0.256 19002 2477 1 6 . 1 1 75 75 ARG CB C 75 30.798 30.798 28.647 2.151 19002 2478 1 6 . 1 1 75 75 ARG H H 75 8.296 8.296 8.857 -0.561 19002 2479 1 6 . 1 1 76 76 ARG N N 76 121.977 121.977 119.744 2.233 19002 2480 1 6 . 1 1 76 76 ARG HA H 76 4.362 4.362 4.460 -0.098 19002 2481 1 6 . 1 1 76 76 ARG C C 76 176.411 176.411 176.914 -0.503 19002 2482 1 6 . 1 1 76 76 ARG CA C 76 56.689 56.689 56.793 -0.104 19002 2483 1 6 . 1 1 76 76 ARG CB C 76 30.873 30.873 31.435 -0.562 19002 2484 1 6 . 1 1 76 76 ARG H H 76 8.360 8.360 8.150 0.210 19002 2485 1 6 . 1 1 77 77 SER N N 77 116.981 116.981 117.481 -0.500 19002 2486 1 6 . 1 1 77 77 SER HA H 77 4.483 4.483 4.568 -0.085 19002 2487 1 6 . 1 1 77 77 SER C C 77 174.672 174.672 174.755 -0.083 19002 2488 1 6 . 1 1 77 77 SER CA C 77 58.497 58.497 58.900 -0.403 19002 2489 1 6 . 1 1 77 77 SER CB C 77 63.839 63.839 61.539 2.300 19002 2490 1 6 . 1 1 77 77 SER H H 77 8.325 8.325 7.927 0.398 19002 2491 1 6 . 1 1 78 78 ARG N N 78 123.324 123.324 121.977 1.347 19002 2492 1 6 . 1 1 78 78 ARG HA H 78 4.377 4.377 4.538 -0.161 19002 2493 1 6 . 1 1 78 78 ARG C C 78 176.492 176.492 177.162 -0.670 19002 2494 1 6 . 1 1 78 78 ARG CA C 78 56.619 56.619 56.596 0.023 19002 2495 1 6 . 1 1 78 78 ARG CB C 78 30.873 30.873 31.399 -0.526 19002 2496 1 6 . 1 1 78 78 ARG H H 78 8.421 8.421 8.484 -0.063 19002 2497 1 6 . 1 1 79 79 LYS N N 79 122.352 122.352 119.356 2.996 19002 2498 1 6 . 1 1 79 79 LYS HA H 79 4.266 4.266 4.469 -0.203 19002 2499 1 6 . 1 1 79 79 LYS C C 79 176.472 176.472 175.179 1.293 19002 2500 1 6 . 1 1 79 79 LYS CA C 79 57.076 57.076 55.612 1.464 19002 2501 1 6 . 1 1 79 79 LYS CB C 79 33.186 33.186 33.926 -0.740 19002 2502 1 6 . 1 1 79 79 LYS H H 79 8.300 8.300 8.126 0.174 19002 2503 1 6 . 1 1 80 80 ALA N N 80 124.816 124.816 123.384 1.432 19002 2504 1 6 . 1 1 80 80 ALA HA H 80 4.308 4.308 4.505 -0.197 19002 2505 1 6 . 1 1 80 80 ALA C C 80 177.787 177.787 178.204 -0.417 19002 2506 1 6 . 1 1 80 80 ALA CA C 80 52.597 52.597 51.512 1.085 19002 2507 1 6 . 1 1 80 80 ALA CB C 80 19.180 19.180 19.923 -0.743 19002 2508 1 6 . 1 1 80 80 ALA H H 80 8.269 8.269 7.634 0.635 19002 2509 1 6 . 1 1 81 81 GLU N N 81 120.243 120.243 121.290 -1.047 19002 2510 1 6 . 1 1 81 81 GLU HA H 81 4.278 4.278 4.330 -0.052 19002 2511 1 6 . 1 1 81 81 GLU C C 81 176.614 176.614 176.235 0.379 19002 2512 1 6 . 1 1 81 81 GLU CA C 81 56.893 56.893 55.742 1.151 19002 2513 1 6 . 1 1 81 81 GLU CB C 81 30.374 30.374 28.030 2.344 19002 2514 1 6 . 1 1 81 81 GLU H H 81 8.283 8.283 8.733 -0.450 19002 2515 1 6 . 1 1 82 82 ARG N N 82 121.743 121.743 121.746 -0.003 19002 2516 1 6 . 1 1 82 82 ARG HA H 82 4.378 4.378 4.357 0.021 19002 2517 1 6 . 1 1 82 82 ARG C C 82 175.946 175.946 175.712 0.234 19002 2518 1 6 . 1 1 82 82 ARG CA C 82 56.047 56.047 55.751 0.296 19002 2519 1 6 . 1 1 82 82 ARG CB C 82 30.757 30.757 28.368 2.389 19002 2520 1 6 . 1 1 82 82 ARG H H 82 8.256 8.256 7.903 0.353 19002 2521 1 6 . 1 1 83 83 ALA N N 83 125.049 125.049 123.249 1.800 19002 2522 1 6 . 1 1 83 83 ALA HA H 83 4.313 4.313 4.346 -0.033 19002 2523 1 6 . 1 1 83 83 ALA C C 83 177.322 177.322 177.990 -0.668 19002 2524 1 6 . 1 1 83 83 ALA CA C 83 52.872 52.872 53.210 -0.338 19002 2525 1 6 . 1 1 83 83 ALA CB C 83 19.239 19.239 19.782 -0.543 19002 2526 1 6 . 1 1 83 83 ALA H H 83 8.241 8.241 7.740 0.501 19002 2527 1 6 . 1 1 84 84 LYS N N 84 121.088 121.088 120.154 0.934 19002 2528 1 6 . 1 1 84 84 LYS HA H 84 4.286 4.286 4.484 -0.198 19002 2529 1 6 . 1 1 84 84 LYS C C 84 175.460 175.460 176.182 -0.722 19002 2530 1 6 . 1 1 84 84 LYS CA C 84 56.316 56.316 55.637 0.679 19002 2531 1 6 . 1 1 84 84 LYS CB C 84 32.923 32.923 30.350 2.573 19002 2532 1 6 . 1 1 84 84 LYS H H 84 8.186 8.186 8.378 -0.192 19002 2533 1 7 . 1 1 12 12 ARG N N 12 121.400 121.400 120.691 0.709 19002 2534 1 7 . 1 1 12 12 ARG HA H 12 4.640 4.640 4.680 -0.040 19002 2535 1 7 . 1 1 12 12 ARG C C 12 174.242 174.242 174.356 -0.114 19002 2536 1 7 . 1 1 12 12 ARG CA C 12 53.900 53.900 54.589 -0.689 19002 2537 1 7 . 1 1 12 12 ARG CB C 12 30.400 30.400 32.325 -1.925 19002 2538 1 7 . 1 1 12 12 ARG H H 12 8.140 8.140 8.401 -0.261 19002 2539 1 7 . 1 1 13 13 PRO HA H 13 4.457 4.457 4.540 -0.083 19002 2540 1 7 . 1 1 13 13 PRO C C 13 177.524 177.524 176.539 0.985 19002 2541 1 7 . 1 1 13 13 PRO CA C 13 63.259 63.259 62.611 0.648 19002 2542 1 7 . 1 1 13 13 PRO CB C 13 32.067 32.067 30.587 1.480 19002 2543 1 7 . 1 1 14 14 GLY N N 14 109.192 109.192 108.669 0.523 19002 2544 1 7 . 1 1 14 14 GLY C C 14 174.227 174.227 175.285 -1.058 19002 2545 1 7 . 1 1 14 14 GLY CA C 14 45.497 45.497 44.808 0.689 19002 2546 1 7 . 1 1 14 14 GLY H H 14 8.467 8.467 7.744 0.723 19002 2547 1 7 . 1 1 15 15 VAL N N 15 119.157 119.157 115.119 4.038 19002 2548 1 7 . 1 1 15 15 VAL HA H 15 4.081 4.081 4.141 -0.060 19002 2549 1 7 . 1 1 15 15 VAL C C 15 175.986 175.986 175.063 0.923 19002 2550 1 7 . 1 1 15 15 VAL CA C 15 62.529 62.529 62.963 -0.434 19002 2551 1 7 . 1 1 15 15 VAL CB C 15 32.491 32.491 32.084 0.407 19002 2552 1 7 . 1 1 15 15 VAL H H 15 7.837 7.837 7.479 0.358 19002 2553 1 7 . 1 1 16 16 PHE N N 16 123.110 123.110 120.853 2.257 19002 2554 1 7 . 1 1 16 16 PHE HA H 16 4.614 4.614 4.664 -0.050 19002 2555 1 7 . 1 1 16 16 PHE C C 16 175.804 175.804 173.309 2.495 19002 2556 1 7 . 1 1 16 16 PHE CA C 16 58.398 58.398 58.087 0.311 19002 2557 1 7 . 1 1 16 16 PHE CB C 16 39.475 39.475 40.400 -0.925 19002 2558 1 7 . 1 1 16 16 PHE H H 16 8.265 8.265 7.407 0.858 19002 2559 1 7 . 1 1 17 17 ARG N N 17 122.074 122.074 126.154 -4.080 19002 2560 1 7 . 1 1 17 17 ARG HA H 17 4.323 4.323 4.427 -0.104 19002 2561 1 7 . 1 1 17 17 ARG C C 17 176.452 176.452 175.612 0.840 19002 2562 1 7 . 1 1 17 17 ARG CA C 17 56.710 56.710 54.120 2.590 19002 2563 1 7 . 1 1 17 17 ARG CB C 17 30.937 30.937 30.203 0.734 19002 2564 1 7 . 1 1 17 17 ARG H H 17 8.155 8.155 8.154 0.001 19002 2565 1 7 . 1 1 18 18 THR N N 18 114.223 114.223 116.621 -2.398 19002 2566 1 7 . 1 1 18 18 THR HA H 18 4.231 4.231 4.069 0.162 19002 2567 1 7 . 1 1 18 18 THR C C 18 174.348 174.348 175.045 -0.697 19002 2568 1 7 . 1 1 18 18 THR CA C 18 62.410 62.410 61.498 0.912 19002 2569 1 7 . 1 1 18 18 THR CB C 18 69.509 69.509 68.596 0.913 19002 2570 1 7 . 1 1 18 18 THR H H 18 8.015 8.015 8.200 -0.185 19002 2571 1 7 . 1 1 19 19 ARG N N 19 120.957 120.957 128.210 -7.253 19002 2572 1 7 . 1 1 19 19 ARG HA H 19 4.323 4.323 4.130 0.193 19002 2573 1 7 . 1 1 19 19 ARG C C 19 175.986 175.986 176.405 -0.419 19002 2574 1 7 . 1 1 19 19 ARG CA C 19 56.093 56.093 55.626 0.467 19002 2575 1 7 . 1 1 19 19 ARG CB C 19 30.480 30.480 28.046 2.434 19002 2576 1 7 . 1 1 19 19 ARG H H 19 8.080 8.080 8.763 -0.683 19002 2577 1 7 . 1 1 20 20 GLY N N 20 107.963 107.963 107.484 0.479 19002 2578 1 7 . 1 1 20 20 GLY C C 20 173.802 173.802 174.030 -0.228 19002 2579 1 7 . 1 1 20 20 GLY CA C 20 45.273 45.273 45.181 0.091 19002 2580 1 7 . 1 1 20 20 GLY H H 20 8.241 8.241 8.228 0.013 19002 2581 1 7 . 1 1 21 21 LEU N N 21 121.181 121.181 121.806 -0.625 19002 2582 1 7 . 1 1 21 21 LEU HA H 21 4.770 4.770 4.246 0.524 19002 2583 1 7 . 1 1 21 21 LEU C C 21 178.414 178.414 177.392 1.022 19002 2584 1 7 . 1 1 21 21 LEU CA C 21 54.677 54.677 55.568 -0.891 19002 2585 1 7 . 1 1 21 21 LEU CB C 21 43.142 43.142 42.222 0.920 19002 2586 1 7 . 1 1 21 21 LEU H H 21 7.967 7.967 7.869 0.098 19002 2587 1 7 . 1 1 22 22 THR N N 22 114.494 114.494 117.641 -3.147 19002 2588 1 7 . 1 1 22 22 THR HA H 22 4.558 4.558 4.325 0.233 19002 2589 1 7 . 1 1 22 22 THR C C 22 175.359 175.359 175.420 -0.061 19002 2590 1 7 . 1 1 22 22 THR CA C 22 61.316 61.316 61.398 -0.082 19002 2591 1 7 . 1 1 22 22 THR CB C 22 71.015 71.015 70.007 1.008 19002 2592 1 7 . 1 1 22 22 THR H H 22 9.075 9.075 8.024 1.051 19002 2593 1 7 . 1 1 23 23 ASP N N 23 121.204 121.204 118.962 2.242 19002 2594 1 7 . 1 1 23 23 ASP HA H 23 4.485 4.485 4.521 -0.036 19002 2595 1 7 . 1 1 23 23 ASP C C 23 178.697 178.697 177.718 0.979 19002 2596 1 7 . 1 1 23 23 ASP CA C 23 58.315 58.315 57.216 1.099 19002 2597 1 7 . 1 1 23 23 ASP CB C 23 39.931 39.931 40.659 -0.728 19002 2598 1 7 . 1 1 23 23 ASP H H 23 8.943 8.943 8.796 0.147 19002 2599 1 7 . 1 1 24 24 GLU N N 24 119.241 119.241 120.367 -1.126 19002 2600 1 7 . 1 1 24 24 GLU HA H 24 4.199 4.199 4.304 -0.105 19002 2601 1 7 . 1 1 24 24 GLU C C 24 179.911 179.911 178.831 1.080 19002 2602 1 7 . 1 1 24 24 GLU CA C 24 59.973 59.973 58.864 1.109 19002 2603 1 7 . 1 1 24 24 GLU CB C 24 29.306 29.306 29.361 -0.055 19002 2604 1 7 . 1 1 24 24 GLU H H 24 8.741 8.741 7.595 1.146 19002 2605 1 7 . 1 1 25 25 GLU N N 25 121.151 121.151 120.803 0.348 19002 2606 1 7 . 1 1 25 25 GLU HA H 25 4.200 4.200 4.237 -0.037 19002 2607 1 7 . 1 1 25 25 GLU C C 25 178.394 178.394 179.247 -0.853 19002 2608 1 7 . 1 1 25 25 GLU CA C 25 59.178 59.178 59.124 0.054 19002 2609 1 7 . 1 1 25 25 GLU CB C 25 30.873 30.873 29.507 1.366 19002 2610 1 7 . 1 1 25 25 GLU H H 25 7.801 7.801 7.825 -0.024 19002 2611 1 7 . 1 1 26 26 TYR N N 26 120.692 120.692 119.969 0.723 19002 2612 1 7 . 1 1 26 26 TYR HA H 26 4.184 4.184 4.234 -0.050 19002 2613 1 7 . 1 1 26 26 TYR C C 26 177.483 177.483 177.502 -0.019 19002 2614 1 7 . 1 1 26 26 TYR CA C 26 61.924 61.924 61.580 0.344 19002 2615 1 7 . 1 1 26 26 TYR CB C 26 37.837 37.837 38.702 -0.865 19002 2616 1 7 . 1 1 26 26 TYR H H 26 8.897 8.897 8.547 0.350 19002 2617 1 7 . 1 1 27 27 ASP N N 27 118.898 118.898 119.312 -0.414 19002 2618 1 7 . 1 1 27 27 ASP HA H 27 4.338 4.338 4.305 0.033 19002 2619 1 7 . 1 1 27 27 ASP C C 27 178.535 178.535 178.256 0.279 19002 2620 1 7 . 1 1 27 27 ASP CA C 27 57.864 57.864 57.560 0.304 19002 2621 1 7 . 1 1 27 27 ASP CB C 27 40.797 40.797 40.755 0.042 19002 2622 1 7 . 1 1 27 27 ASP H H 27 8.135 8.135 7.785 0.350 19002 2623 1 7 . 1 1 28 28 GLU N N 28 121.020 121.020 120.929 0.091 19002 2624 1 7 . 1 1 28 28 GLU HA H 28 4.101 4.101 4.063 0.038 19002 2625 1 7 . 1 1 28 28 GLU C C 28 178.394 178.394 178.498 -0.104 19002 2626 1 7 . 1 1 28 28 GLU CA C 28 59.450 59.450 59.102 0.348 19002 2627 1 7 . 1 1 28 28 GLU CB C 28 29.231 29.231 29.395 -0.164 19002 2628 1 7 . 1 1 28 28 GLU H H 28 7.655 7.655 8.374 -0.719 19002 2629 1 7 . 1 1 29 29 PHE N N 29 121.567 121.567 120.481 1.086 19002 2630 1 7 . 1 1 29 29 PHE HA H 29 3.765 3.765 3.932 -0.167 19002 2631 1 7 . 1 1 29 29 PHE C C 29 176.169 176.169 177.160 -0.991 19002 2632 1 7 . 1 1 29 29 PHE CA C 29 61.371 61.371 60.598 0.773 19002 2633 1 7 . 1 1 29 29 PHE CB C 29 37.588 37.588 38.431 -0.842 19002 2634 1 7 . 1 1 29 29 PHE H H 29 8.471 8.471 8.290 0.181 19002 2635 1 7 . 1 1 30 30 LYS N N 30 118.916 118.916 119.338 -0.422 19002 2636 1 7 . 1 1 30 30 LYS HA H 30 3.137 3.137 3.413 -0.276 19002 2637 1 7 . 1 1 30 30 LYS C C 30 179.445 179.445 178.813 0.632 19002 2638 1 7 . 1 1 30 30 LYS CA C 30 60.346 60.346 59.882 0.464 19002 2639 1 7 . 1 1 30 30 LYS CB C 30 31.992 31.992 31.965 0.027 19002 2640 1 7 . 1 1 30 30 LYS H H 30 8.287 8.287 8.201 0.086 19002 2641 1 7 . 1 1 31 31 LYS N N 31 120.113 120.113 119.406 0.707 19002 2642 1 7 . 1 1 31 31 LYS HA H 31 4.018 4.018 3.879 0.139 19002 2643 1 7 . 1 1 31 31 LYS C C 31 179.918 179.918 179.310 0.608 19002 2644 1 7 . 1 1 31 31 LYS CA C 31 59.700 59.700 59.645 0.055 19002 2645 1 7 . 1 1 31 31 LYS CB C 31 32.300 32.300 32.223 0.077 19002 2646 1 7 . 1 1 31 31 LYS H H 31 7.690 7.690 8.178 -0.488 19002 2647 1 7 . 1 1 32 32 ARG N N 32 121.200 121.200 118.268 2.932 19002 2648 1 7 . 1 1 32 32 ARG HA H 32 3.893 3.893 3.803 0.090 19002 2649 1 7 . 1 1 32 32 ARG C C 32 178.990 178.990 178.725 0.265 19002 2650 1 7 . 1 1 32 32 ARG CA C 32 59.452 59.452 59.590 -0.138 19002 2651 1 7 . 1 1 32 32 ARG CB C 32 31.284 31.284 30.074 1.210 19002 2652 1 7 . 1 1 32 32 ARG H H 32 8.299 8.299 8.449 -0.150 19002 2653 1 7 . 1 1 33 33 ARG N N 33 120.223 120.223 120.283 -0.060 19002 2654 1 7 . 1 1 33 33 ARG HA H 33 3.698 3.698 3.978 -0.280 19002 2655 1 7 . 1 1 33 33 ARG C C 33 178.697 178.697 177.952 0.745 19002 2656 1 7 . 1 1 33 33 ARG CA C 33 59.607 59.607 59.188 0.419 19002 2657 1 7 . 1 1 33 33 ARG CB C 33 29.570 29.570 29.795 -0.225 19002 2658 1 7 . 1 1 33 33 ARG H H 33 8.704 8.704 8.409 0.295 19002 2659 1 7 . 1 1 34 34 GLU N N 34 119.860 119.860 119.088 0.772 19002 2660 1 7 . 1 1 34 34 GLU HA H 34 4.046 4.046 4.017 0.029 19002 2661 1 7 . 1 1 34 34 GLU C C 34 179.850 179.850 179.427 0.423 19002 2662 1 7 . 1 1 34 34 GLU CA C 34 59.210 59.210 59.067 0.143 19002 2663 1 7 . 1 1 34 34 GLU CB C 34 29.380 29.380 28.994 0.386 19002 2664 1 7 . 1 1 34 34 GLU H H 34 7.941 7.941 8.458 -0.517 19002 2665 1 7 . 1 1 35 35 SER N N 35 115.261 115.261 115.766 -0.505 19002 2666 1 7 . 1 1 35 35 SER HA H 35 4.378 4.378 4.233 0.145 19002 2667 1 7 . 1 1 35 35 SER C C 35 175.339 175.339 176.132 -0.793 19002 2668 1 7 . 1 1 35 35 SER CA C 35 60.068 60.068 60.816 -0.749 19002 2669 1 7 . 1 1 35 35 SER CB C 35 63.321 63.321 63.202 0.119 19002 2670 1 7 . 1 1 35 35 SER H H 35 7.813 7.813 7.696 0.117 19002 2671 1 7 . 1 1 36 36 ARG N N 36 119.557 119.557 119.513 0.044 19002 2672 1 7 . 1 1 36 36 ARG HA H 36 4.439 4.439 4.442 -0.003 19002 2673 1 7 . 1 1 36 36 ARG C C 36 177.524 177.524 175.981 1.543 19002 2674 1 7 . 1 1 36 36 ARG CA C 36 55.794 55.794 54.740 1.054 19002 2675 1 7 . 1 1 36 36 ARG CB C 36 30.276 30.276 30.270 0.005 19002 2676 1 7 . 1 1 36 36 ARG H H 36 7.459 7.459 7.349 0.110 19002 2677 1 7 . 1 1 37 37 GLY N N 37 109.722 109.722 106.493 3.229 19002 2678 1 7 . 1 1 37 37 GLY C C 37 175.117 175.117 175.336 -0.219 19002 2679 1 7 . 1 1 37 37 GLY CA C 37 46.691 46.691 45.501 1.190 19002 2680 1 7 . 1 1 37 37 GLY H H 37 7.981 7.981 7.775 0.206 19002 2681 1 7 . 1 1 38 38 GLY N N 38 104.904 104.904 106.734 -1.830 19002 2682 1 7 . 1 1 38 38 GLY C C 38 174.489 174.489 175.297 -0.808 19002 2683 1 7 . 1 1 38 38 GLY CA C 38 45.012 45.012 44.869 0.143 19002 2684 1 7 . 1 1 38 38 GLY H H 38 8.271 8.271 8.731 -0.460 19002 2685 1 7 . 1 1 39 39 LYS N N 39 122.169 122.169 123.458 -1.289 19002 2686 1 7 . 1 1 39 39 LYS HA H 39 4.515 4.515 4.385 0.130 19002 2687 1 7 . 1 1 39 39 LYS C C 39 174.995 174.995 175.121 -0.126 19002 2688 1 7 . 1 1 39 39 LYS CA C 39 55.622 55.622 55.809 -0.187 19002 2689 1 7 . 1 1 39 39 LYS CB C 39 30.846 30.846 31.480 -0.634 19002 2690 1 7 . 1 1 39 39 LYS H H 39 7.471 7.471 7.612 -0.141 19002 2691 1 7 . 1 1 40 40 TYR N N 40 123.749 123.749 122.316 1.433 19002 2692 1 7 . 1 1 40 40 TYR HA H 40 4.893 4.893 4.719 0.174 19002 2693 1 7 . 1 1 40 40 TYR C C 40 173.883 173.883 173.629 0.254 19002 2694 1 7 . 1 1 40 40 TYR CA C 40 58.629 58.629 56.724 1.905 19002 2695 1 7 . 1 1 40 40 TYR CB C 40 40.871 40.871 40.764 0.106 19002 2696 1 7 . 1 1 40 40 TYR H H 40 7.687 7.687 8.094 -0.407 19002 2697 1 7 . 1 1 41 41 SER N N 41 124.561 124.561 122.313 2.248 19002 2698 1 7 . 1 1 41 41 SER HA H 41 5.061 5.061 4.692 0.369 19002 2699 1 7 . 1 1 41 41 SER C C 41 175.258 175.258 174.825 0.433 19002 2700 1 7 . 1 1 41 41 SER CA C 41 56.913 56.913 57.202 -0.289 19002 2701 1 7 . 1 1 41 41 SER CB C 41 67.136 67.136 64.772 2.364 19002 2702 1 7 . 1 1 41 41 SER H H 41 9.246 9.246 8.357 0.889 19002 2703 1 7 . 1 1 42 42 ILE N N 42 122.298 122.298 121.252 1.046 19002 2704 1 7 . 1 1 42 42 ILE HA H 42 3.384 3.384 3.283 0.101 19002 2705 1 7 . 1 1 42 42 ILE C C 42 176.573 176.573 176.760 -0.187 19002 2706 1 7 . 1 1 42 42 ILE CA C 42 63.317 63.317 63.845 -0.528 19002 2707 1 7 . 1 1 42 42 ILE CB C 42 37.290 37.290 37.996 -0.706 19002 2708 1 7 . 1 1 42 42 ILE H H 42 8.848 8.848 9.021 -0.173 19002 2709 1 7 . 1 1 43 43 ASP N N 43 118.987 118.987 119.965 -0.978 19002 2710 1 7 . 1 1 43 43 ASP HA H 43 4.317 4.317 4.227 0.090 19002 2711 1 7 . 1 1 43 43 ASP C C 43 178.940 178.940 178.115 0.825 19002 2712 1 7 . 1 1 43 43 ASP CA C 43 57.809 57.809 58.638 -0.829 19002 2713 1 7 . 1 1 43 43 ASP CB C 43 40.722 40.722 40.073 0.649 19002 2714 1 7 . 1 1 43 43 ASP H H 43 7.673 7.673 8.604 -0.931 19002 2715 1 7 . 1 1 44 44 ASP N N 44 121.961 121.961 119.673 2.288 19002 2716 1 7 . 1 1 44 44 ASP HA H 44 4.259 4.259 4.413 -0.154 19002 2717 1 7 . 1 1 44 44 ASP C C 44 177.564 177.564 178.062 -0.498 19002 2718 1 7 . 1 1 44 44 ASP CA C 44 57.624 57.624 57.114 0.510 19002 2719 1 7 . 1 1 44 44 ASP CB C 44 41.244 41.244 40.910 0.334 19002 2720 1 7 . 1 1 44 44 ASP H H 44 7.610 7.610 7.871 -0.261 19002 2721 1 7 . 1 1 45 45 TYR N N 45 121.352 121.352 120.635 0.717 19002 2722 1 7 . 1 1 45 45 TYR HA H 45 4.676 4.676 4.541 0.135 19002 2723 1 7 . 1 1 45 45 TYR C C 45 177.362 177.362 177.497 -0.135 19002 2724 1 7 . 1 1 45 45 TYR CA C 45 60.703 60.703 61.068 -0.365 19002 2725 1 7 . 1 1 45 45 TYR CB C 45 38.747 38.747 38.886 -0.139 19002 2726 1 7 . 1 1 45 45 TYR H H 45 7.750 7.750 7.241 0.509 19002 2727 1 7 . 1 1 46 46 LEU N N 46 118.650 118.650 119.199 -0.549 19002 2728 1 7 . 1 1 46 46 LEU HA H 46 3.697 3.697 3.758 -0.061 19002 2729 1 7 . 1 1 46 46 LEU C C 46 179.850 179.850 179.109 0.741 19002 2730 1 7 . 1 1 46 46 LEU CA C 46 57.807 57.807 57.261 0.546 19002 2731 1 7 . 1 1 46 46 LEU CB C 46 41.205 41.205 41.431 -0.225 19002 2732 1 7 . 1 1 46 46 LEU H H 46 8.544 8.544 8.682 -0.138 19002 2733 1 7 . 1 1 47 47 ALA N N 47 121.991 121.991 121.547 0.444 19002 2734 1 7 . 1 1 47 47 ALA HA H 47 4.190 4.190 3.945 0.245 19002 2735 1 7 . 1 1 47 47 ALA C C 47 180.457 180.457 179.163 1.294 19002 2736 1 7 . 1 1 47 47 ALA CA C 47 55.048 55.048 55.214 -0.166 19002 2737 1 7 . 1 1 47 47 ALA CB C 47 18.337 18.337 18.062 0.275 19002 2738 1 7 . 1 1 47 47 ALA H H 47 7.716 7.716 8.413 -0.697 19002 2739 1 7 . 1 1 48 48 ASP N N 48 120.788 120.788 118.541 2.247 19002 2740 1 7 . 1 1 48 48 ASP HA H 48 4.505 4.505 4.368 0.137 19002 2741 1 7 . 1 1 48 48 ASP C C 48 178.596 178.596 178.145 0.451 19002 2742 1 7 . 1 1 48 48 ASP CA C 48 57.361 57.361 56.783 0.578 19002 2743 1 7 . 1 1 48 48 ASP CB C 48 40.076 40.076 41.101 -1.025 19002 2744 1 7 . 1 1 48 48 ASP H H 48 8.316 8.316 7.547 0.769 19002 2745 1 7 . 1 1 49 49 ARG N N 49 120.274 120.274 120.089 0.185 19002 2746 1 7 . 1 1 49 49 ARG HA H 49 3.952 3.952 4.040 -0.088 19002 2747 1 7 . 1 1 49 49 ARG C C 49 178.454 178.454 178.456 -0.002 19002 2748 1 7 . 1 1 49 49 ARG CA C 49 58.133 58.133 58.634 -0.501 19002 2749 1 7 . 1 1 49 49 ARG CB C 49 29.231 29.231 30.000 -0.769 19002 2750 1 7 . 1 1 49 49 ARG H H 49 8.459 8.459 8.007 0.452 19002 2751 1 7 . 1 1 50 50 GLU N N 50 118.834 118.834 117.488 1.346 19002 2752 1 7 . 1 1 50 50 GLU HA H 50 4.101 4.101 4.055 0.046 19002 2753 1 7 . 1 1 50 50 GLU C C 50 178.353 178.353 178.808 -0.455 19002 2754 1 7 . 1 1 50 50 GLU CA C 50 58.928 58.928 58.896 0.032 19002 2755 1 7 . 1 1 50 50 GLU CB C 50 29.530 29.530 29.080 0.450 19002 2756 1 7 . 1 1 50 50 GLU H H 50 7.734 7.734 7.735 -0.001 19002 2757 1 7 . 1 1 51 51 ARG N N 51 119.239 119.239 118.736 0.503 19002 2758 1 7 . 1 1 51 51 ARG HA H 51 4.240 4.240 4.190 0.050 19002 2759 1 7 . 1 1 51 51 ARG C C 51 178.370 178.370 178.570 -0.200 19002 2760 1 7 . 1 1 51 51 ARG CA C 51 58.105 58.105 58.602 -0.497 19002 2761 1 7 . 1 1 51 51 ARG CB C 51 30.649 30.649 30.226 0.423 19002 2762 1 7 . 1 1 51 51 ARG H H 51 7.694 7.694 7.337 0.357 19002 2763 1 7 . 1 1 52 52 GLU N N 52 119.667 119.667 120.037 -0.370 19002 2764 1 7 . 1 1 52 52 GLU HA H 52 4.099 4.099 3.902 0.197 19002 2765 1 7 . 1 1 52 52 GLU C C 52 178.370 178.370 178.713 -0.343 19002 2766 1 7 . 1 1 52 52 GLU CA C 52 58.538 58.538 59.777 -1.239 19002 2767 1 7 . 1 1 52 52 GLU CB C 52 29.661 29.661 29.146 0.515 19002 2768 1 7 . 1 1 52 52 GLU H H 52 8.299 8.299 8.130 0.169 19002 2769 1 7 . 1 1 53 53 GLU N N 53 119.152 119.152 118.104 1.048 19002 2770 1 7 . 1 1 53 53 GLU HA H 53 4.210 4.210 3.947 0.263 19002 2771 1 7 . 1 1 53 53 GLU C C 53 177.740 177.740 178.825 -1.085 19002 2772 1 7 . 1 1 53 53 GLU CA C 53 58.172 58.172 59.364 -1.192 19002 2773 1 7 . 1 1 53 53 GLU CB C 53 29.530 29.530 29.350 0.180 19002 2774 1 7 . 1 1 53 53 GLU H H 53 8.098 8.098 7.781 0.317 19002 2775 1 7 . 1 1 54 54 GLU N N 54 120.097 120.097 118.085 2.012 19002 2776 1 7 . 1 1 54 54 GLU HA H 54 4.212 4.212 4.174 0.038 19002 2777 1 7 . 1 1 54 54 GLU C C 54 177.443 177.443 179.233 -1.790 19002 2778 1 7 . 1 1 54 54 GLU CA C 54 58.081 58.081 58.470 -0.389 19002 2779 1 7 . 1 1 54 54 GLU CB C 54 29.788 29.788 29.277 0.511 19002 2780 1 7 . 1 1 54 54 GLU H H 54 7.968 7.968 7.736 0.232 19002 2781 1 7 . 1 1 55 55 LEU N N 55 120.563 120.563 119.850 0.713 19002 2782 1 7 . 1 1 55 55 LEU HA H 55 4.288 4.288 4.120 0.168 19002 2783 1 7 . 1 1 55 55 LEU C C 55 177.735 177.735 178.494 -0.759 19002 2784 1 7 . 1 1 55 55 LEU CA C 55 56.070 56.070 56.611 -0.541 19002 2785 1 7 . 1 1 55 55 LEU CB C 55 42.062 42.062 41.801 0.261 19002 2786 1 7 . 1 1 55 55 LEU H H 55 7.905 7.905 7.877 0.028 19002 2787 1 7 . 1 1 56 56 LEU N N 56 121.250 121.250 119.261 1.989 19002 2788 1 7 . 1 1 56 56 LEU HA H 56 4.312 4.312 4.166 0.146 19002 2789 1 7 . 1 1 56 56 LEU C C 56 177.726 177.726 177.828 -0.102 19002 2790 1 7 . 1 1 56 56 LEU CA C 56 55.979 55.979 56.835 -0.856 19002 2791 1 7 . 1 1 56 56 LEU CB C 56 42.635 42.635 42.797 -0.162 19002 2792 1 7 . 1 1 56 56 LEU H H 56 7.859 7.859 7.709 0.150 19002 2793 1 7 . 1 1 57 57 GLU N N 57 120.632 120.632 113.041 7.591 19002 2794 1 7 . 1 1 57 57 GLU HA H 57 4.283 4.283 4.469 -0.186 19002 2795 1 7 . 1 1 57 57 GLU C C 57 176.553 176.553 175.297 1.256 19002 2796 1 7 . 1 1 57 57 GLU CA C 57 57.076 57.076 55.723 1.353 19002 2797 1 7 . 1 1 57 57 GLU CB C 57 30.052 30.052 29.904 0.148 19002 2798 1 7 . 1 1 57 57 GLU H H 57 8.153 8.153 8.191 -0.038 19002 2799 1 7 . 1 1 58 58 ARG N N 58 121.282 121.282 122.970 -1.688 19002 2800 1 7 . 1 1 58 58 ARG HA H 58 4.372 4.372 4.627 -0.255 19002 2801 1 7 . 1 1 58 58 ARG C C 58 176.169 176.169 175.960 0.209 19002 2802 1 7 . 1 1 58 58 ARG CA C 58 56.344 56.344 54.454 1.890 19002 2803 1 7 . 1 1 58 58 ARG CB C 58 31.102 31.102 29.697 1.405 19002 2804 1 7 . 1 1 58 58 ARG H H 58 8.146 8.146 7.620 0.526 19002 2805 1 7 . 1 1 59 59 ASP N N 59 121.619 121.619 121.837 -0.218 19002 2806 1 7 . 1 1 59 59 ASP HA H 59 4.639 4.639 4.623 0.016 19002 2807 1 7 . 1 1 59 59 ASP C C 59 176.553 176.553 176.227 0.326 19002 2808 1 7 . 1 1 59 59 ASP CA C 59 54.768 54.768 55.858 -1.090 19002 2809 1 7 . 1 1 59 59 ASP CB C 59 41.256 41.256 40.782 0.474 19002 2810 1 7 . 1 1 59 59 ASP H H 59 8.386 8.386 8.336 0.050 19002 2811 1 7 . 1 1 60 60 GLU N N 60 121.214 121.214 117.952 3.262 19002 2812 1 7 . 1 1 60 60 GLU HA H 60 4.273 4.273 4.069 0.204 19002 2813 1 7 . 1 1 60 60 GLU C C 60 176.876 176.876 177.039 -0.163 19002 2814 1 7 . 1 1 60 60 GLU CA C 60 57.361 57.361 58.402 -1.041 19002 2815 1 7 . 1 1 60 60 GLU CB C 60 30.425 30.425 29.092 1.333 19002 2816 1 7 . 1 1 60 60 GLU H H 60 8.372 8.372 8.575 -0.203 19002 2817 1 7 . 1 1 61 61 GLU N N 61 121.077 121.077 117.067 4.010 19002 2818 1 7 . 1 1 61 61 GLU HA H 61 4.210 4.210 4.278 -0.068 19002 2819 1 7 . 1 1 61 61 GLU C C 61 176.832 176.832 177.035 -0.203 19002 2820 1 7 . 1 1 61 61 GLU CA C 61 57.734 57.734 57.813 -0.079 19002 2821 1 7 . 1 1 61 61 GLU CB C 61 30.425 30.425 31.092 -0.667 19002 2822 1 7 . 1 1 61 61 GLU H H 61 8.384 8.384 7.701 0.683 19002 2823 1 7 . 1 1 62 62 GLU N N 62 121.155 121.155 116.651 4.504 19002 2824 1 7 . 1 1 62 62 GLU HA H 62 4.249 4.249 4.666 -0.417 19002 2825 1 7 . 1 1 62 62 GLU C C 62 176.432 176.432 176.014 0.418 19002 2826 1 7 . 1 1 62 62 GLU CA C 62 57.137 57.137 55.391 1.746 19002 2827 1 7 . 1 1 62 62 GLU CB C 62 30.425 30.425 32.278 -1.853 19002 2828 1 7 . 1 1 62 62 GLU H H 62 8.300 8.300 7.609 0.691 19002 2829 1 7 . 1 1 63 63 ALA N N 63 124.607 124.607 123.057 1.550 19002 2830 1 7 . 1 1 63 63 ALA HA H 63 4.293 4.293 4.030 0.263 19002 2831 1 7 . 1 1 63 63 ALA C C 63 177.483 177.483 176.667 0.816 19002 2832 1 7 . 1 1 63 63 ALA CA C 63 52.915 52.915 52.822 0.093 19002 2833 1 7 . 1 1 63 63 ALA CB C 63 19.070 19.070 17.182 1.888 19002 2834 1 7 . 1 1 63 63 ALA H H 63 8.178 8.178 8.590 -0.412 19002 2835 1 7 . 1 1 64 64 ILE N N 64 118.941 118.941 120.158 -1.217 19002 2836 1 7 . 1 1 64 64 ILE HA H 64 4.076 4.076 3.950 0.126 19002 2837 1 7 . 1 1 64 64 ILE C C 64 176.047 176.047 176.630 -0.583 19002 2838 1 7 . 1 1 64 64 ILE CA C 64 61.342 61.342 62.654 -1.312 19002 2839 1 7 . 1 1 64 64 ILE CB C 64 38.700 38.700 38.373 0.327 19002 2840 1 7 . 1 1 64 64 ILE H H 64 7.872 7.872 8.237 -0.365 19002 2841 1 7 . 1 1 65 65 PHE N N 65 122.809 122.809 117.038 5.771 19002 2842 1 7 . 1 1 65 65 PHE HA H 65 4.615 4.615 4.657 -0.042 19002 2843 1 7 . 1 1 65 65 PHE C C 65 176.270 176.270 176.225 0.045 19002 2844 1 7 . 1 1 65 65 PHE CA C 65 57.807 57.807 56.670 1.137 19002 2845 1 7 . 1 1 65 65 PHE CB C 65 39.827 39.827 38.707 1.120 19002 2846 1 7 . 1 1 65 65 PHE H H 65 8.188 8.188 7.807 0.381 19002 2847 1 7 . 1 1 66 66 GLY N N 66 110.278 110.278 110.140 0.138 19002 2848 1 7 . 1 1 66 66 GLY C C 66 173.802 173.802 173.994 -0.192 19002 2849 1 7 . 1 1 66 66 GLY CA C 66 45.391 45.391 44.210 1.181 19002 2850 1 7 . 1 1 66 66 GLY H H 66 8.213 8.213 6.881 1.332 19002 2851 1 7 . 1 1 67 67 ASP N N 67 120.510 120.510 118.399 2.111 19002 2852 1 7 . 1 1 67 67 ASP HA H 67 4.599 4.599 4.244 0.355 19002 2853 1 7 . 1 1 67 67 ASP C C 67 176.897 176.897 175.711 1.186 19002 2854 1 7 . 1 1 67 67 ASP CA C 67 54.425 54.425 55.633 -1.208 19002 2855 1 7 . 1 1 67 67 ASP CB C 67 41.265 41.265 40.611 0.654 19002 2856 1 7 . 1 1 67 67 ASP H H 67 8.254 8.254 8.651 -0.397 19002 2857 1 7 . 1 1 68 68 GLY N N 68 108.789 108.789 107.127 1.662 19002 2858 1 7 . 1 1 68 68 GLY C C 68 174.307 174.307 172.410 1.897 19002 2859 1 7 . 1 1 68 68 GLY CA C 68 46.020 46.020 44.425 1.595 19002 2860 1 7 . 1 1 68 68 GLY H H 68 8.342 8.342 7.800 0.542 19002 2861 1 7 . 1 1 69 69 PHE N N 69 119.903 119.903 117.819 2.084 19002 2862 1 7 . 1 1 69 69 PHE HA H 69 4.599 4.599 4.875 -0.276 19002 2863 1 7 . 1 1 69 69 PHE C C 69 176.432 176.432 175.596 0.836 19002 2864 1 7 . 1 1 69 69 PHE CA C 69 58.146 58.146 56.088 2.058 19002 2865 1 7 . 1 1 69 69 PHE CB C 69 39.339 39.339 39.306 0.033 19002 2866 1 7 . 1 1 69 69 PHE H H 69 8.178 8.178 8.104 0.074 19002 2867 1 7 . 1 1 70 70 GLY N N 70 110.089 110.089 111.937 -1.848 19002 2868 1 7 . 1 1 70 70 GLY C C 70 174.227 174.227 172.780 1.447 19002 2869 1 7 . 1 1 70 70 GLY CA C 70 45.628 45.628 45.287 0.341 19002 2870 1 7 . 1 1 70 70 GLY H H 70 8.382 8.382 8.496 -0.114 19002 2871 1 7 . 1 1 71 71 LEU N N 71 121.600 121.600 116.331 5.269 19002 2872 1 7 . 1 1 71 71 LEU HA H 71 4.290 4.290 4.776 -0.486 19002 2873 1 7 . 1 1 71 71 LEU C C 71 177.645 177.645 176.009 1.636 19002 2874 1 7 . 1 1 71 71 LEU CA C 71 55.500 55.500 54.128 1.372 19002 2875 1 7 . 1 1 71 71 LEU CB C 71 42.400 42.400 43.532 -1.132 19002 2876 1 7 . 1 1 71 71 LEU H H 71 8.069 8.069 7.821 0.248 19002 2877 1 7 . 1 1 72 72 LYS N N 72 121.214 121.214 116.327 4.887 19002 2878 1 7 . 1 1 72 72 LYS HA H 72 4.283 4.283 3.946 0.337 19002 2879 1 7 . 1 1 72 72 LYS C C 72 176.553 176.553 175.986 0.567 19002 2880 1 7 . 1 1 72 72 LYS CA C 72 56.594 56.594 56.940 -0.346 19002 2881 1 7 . 1 1 72 72 LYS CB C 72 32.765 32.765 30.466 2.299 19002 2882 1 7 . 1 1 72 72 LYS H H 72 8.372 8.372 8.549 -0.177 19002 2883 1 7 . 1 1 73 73 ALA N N 73 124.187 124.187 120.046 4.141 19002 2884 1 7 . 1 1 73 73 ALA HA H 73 4.347 4.347 4.153 0.194 19002 2885 1 7 . 1 1 73 73 ALA C C 73 178.009 178.009 178.087 -0.078 19002 2886 1 7 . 1 1 73 73 ALA CA C 73 52.597 52.597 53.929 -1.332 19002 2887 1 7 . 1 1 73 73 ALA CB C 73 19.239 19.239 19.248 -0.009 19002 2888 1 7 . 1 1 73 73 ALA H H 73 8.188 8.188 7.987 0.201 19002 2889 1 7 . 1 1 74 74 THR N N 74 112.973 112.973 116.419 -3.446 19002 2890 1 7 . 1 1 74 74 THR HA H 74 4.339 4.339 4.261 0.078 19002 2891 1 7 . 1 1 74 74 THR C C 74 174.753 174.753 173.828 0.925 19002 2892 1 7 . 1 1 74 74 THR CA C 74 62.046 62.046 61.856 0.190 19002 2893 1 7 . 1 1 74 74 THR CB C 74 69.779 69.779 68.652 1.127 19002 2894 1 7 . 1 1 74 74 THR H H 74 8.054 8.054 7.904 0.150 19002 2895 1 7 . 1 1 75 75 ARG N N 75 123.112 123.112 127.430 -4.318 19002 2896 1 7 . 1 1 75 75 ARG HA H 75 4.371 4.371 4.243 0.128 19002 2897 1 7 . 1 1 75 75 ARG C C 75 176.411 176.411 177.004 -0.593 19002 2898 1 7 . 1 1 75 75 ARG CA C 75 56.801 56.801 56.206 0.595 19002 2899 1 7 . 1 1 75 75 ARG CB C 75 30.798 30.798 29.858 0.940 19002 2900 1 7 . 1 1 75 75 ARG H H 75 8.296 8.296 8.733 -0.438 19002 2901 1 7 . 1 1 76 76 ARG N N 76 121.977 121.977 126.216 -4.239 19002 2902 1 7 . 1 1 76 76 ARG HA H 76 4.362 4.362 4.422 -0.060 19002 2903 1 7 . 1 1 76 76 ARG C C 76 176.411 176.411 176.194 0.217 19002 2904 1 7 . 1 1 76 76 ARG CA C 76 56.689 56.689 55.368 1.321 19002 2905 1 7 . 1 1 76 76 ARG CB C 76 30.873 30.873 28.085 2.788 19002 2906 1 7 . 1 1 76 76 ARG H H 76 8.360 8.360 8.407 -0.047 19002 2907 1 7 . 1 1 77 77 SER N N 77 116.981 116.981 115.985 0.996 19002 2908 1 7 . 1 1 77 77 SER HA H 77 4.483 4.483 4.574 -0.091 19002 2909 1 7 . 1 1 77 77 SER C C 77 174.672 174.672 175.001 -0.329 19002 2910 1 7 . 1 1 77 77 SER CA C 77 58.497 58.497 57.768 0.729 19002 2911 1 7 . 1 1 77 77 SER CB C 77 63.839 63.839 63.002 0.838 19002 2912 1 7 . 1 1 77 77 SER H H 77 8.325 8.325 8.354 -0.029 19002 2913 1 7 . 1 1 78 78 ARG N N 78 123.324 123.324 121.584 1.740 19002 2914 1 7 . 1 1 78 78 ARG HA H 78 4.377 4.377 4.282 0.095 19002 2915 1 7 . 1 1 78 78 ARG C C 78 176.492 176.492 177.038 -0.546 19002 2916 1 7 . 1 1 78 78 ARG CA C 78 56.619 56.619 56.731 -0.112 19002 2917 1 7 . 1 1 78 78 ARG CB C 78 30.873 30.873 30.295 0.578 19002 2918 1 7 . 1 1 78 78 ARG H H 78 8.421 8.421 7.910 0.511 19002 2919 1 7 . 1 1 79 79 LYS N N 79 122.352 122.352 120.519 1.833 19002 2920 1 7 . 1 1 79 79 LYS HA H 79 4.266 4.266 4.540 -0.274 19002 2921 1 7 . 1 1 79 79 LYS C C 79 176.472 176.472 175.454 1.018 19002 2922 1 7 . 1 1 79 79 LYS CA C 79 57.076 57.076 55.285 1.791 19002 2923 1 7 . 1 1 79 79 LYS CB C 79 33.186 33.186 32.139 1.047 19002 2924 1 7 . 1 1 79 79 LYS H H 79 8.300 8.300 7.672 0.628 19002 2925 1 7 . 1 1 80 80 ALA N N 80 124.816 124.816 124.344 0.472 19002 2926 1 7 . 1 1 80 80 ALA HA H 80 4.308 4.308 4.373 -0.065 19002 2927 1 7 . 1 1 80 80 ALA C C 80 177.787 177.787 177.163 0.624 19002 2928 1 7 . 1 1 80 80 ALA CA C 80 52.597 52.597 51.835 0.762 19002 2929 1 7 . 1 1 80 80 ALA CB C 80 19.180 19.180 17.505 1.675 19002 2930 1 7 . 1 1 80 80 ALA H H 80 8.269 8.269 8.453 -0.184 19002 2931 1 7 . 1 1 81 81 GLU N N 81 120.243 120.243 119.402 0.841 19002 2932 1 7 . 1 1 81 81 GLU HA H 81 4.278 4.278 4.206 0.072 19002 2933 1 7 . 1 1 81 81 GLU C C 81 176.614 176.614 177.805 -1.191 19002 2934 1 7 . 1 1 81 81 GLU CA C 81 56.893 56.893 57.793 -0.900 19002 2935 1 7 . 1 1 81 81 GLU CB C 81 30.374 30.374 29.913 0.461 19002 2936 1 7 . 1 1 81 81 GLU H H 81 8.283 8.283 7.889 0.394 19002 2937 1 7 . 1 1 82 82 ARG N N 82 121.743 121.743 120.711 1.032 19002 2938 1 7 . 1 1 82 82 ARG HA H 82 4.378 4.378 4.356 0.022 19002 2939 1 7 . 1 1 82 82 ARG C C 82 175.946 175.946 175.251 0.695 19002 2940 1 7 . 1 1 82 82 ARG CA C 82 56.047 56.047 55.509 0.538 19002 2941 1 7 . 1 1 82 82 ARG CB C 82 30.757 30.757 29.191 1.567 19002 2942 1 7 . 1 1 82 82 ARG H H 82 8.256 8.256 8.241 0.015 19002 2943 1 7 . 1 1 83 83 ALA N N 83 125.049 125.049 126.660 -1.611 19002 2944 1 7 . 1 1 83 83 ALA HA H 83 4.313 4.313 4.539 -0.226 19002 2945 1 7 . 1 1 83 83 ALA C C 83 177.322 177.322 177.354 -0.032 19002 2946 1 7 . 1 1 83 83 ALA CA C 83 52.872 52.872 52.512 0.360 19002 2947 1 7 . 1 1 83 83 ALA CB C 83 19.239 19.239 20.528 -1.289 19002 2948 1 7 . 1 1 83 83 ALA H H 83 8.241 8.241 7.839 0.402 19002 2949 1 7 . 1 1 84 84 LYS N N 84 121.088 121.088 121.189 -0.101 19002 2950 1 7 . 1 1 84 84 LYS HA H 84 4.286 4.286 4.526 -0.240 19002 2951 1 7 . 1 1 84 84 LYS C C 84 175.460 175.460 175.396 0.064 19002 2952 1 7 . 1 1 84 84 LYS CA C 84 56.316 56.316 55.838 0.478 19002 2953 1 7 . 1 1 84 84 LYS CB C 84 32.923 32.923 30.759 2.164 19002 2954 1 7 . 1 1 84 84 LYS H H 84 8.186 8.186 8.322 -0.136 19002 2955 1 8 . 1 1 12 12 ARG N N 12 121.400 121.400 122.637 -1.237 19002 2956 1 8 . 1 1 12 12 ARG HA H 12 4.640 4.640 4.856 -0.216 19002 2957 1 8 . 1 1 12 12 ARG C C 12 174.242 174.242 174.027 0.215 19002 2958 1 8 . 1 1 12 12 ARG CA C 12 53.900 53.900 54.263 -0.363 19002 2959 1 8 . 1 1 12 12 ARG CB C 12 30.400 30.400 30.462 -0.062 19002 2960 1 8 . 1 1 12 12 ARG H H 12 8.140 8.140 8.003 0.137 19002 2961 1 8 . 1 1 13 13 PRO HA H 13 4.457 4.457 4.694 -0.237 19002 2962 1 8 . 1 1 13 13 PRO C C 13 177.524 177.524 176.472 1.052 19002 2963 1 8 . 1 1 13 13 PRO CA C 13 63.259 63.259 62.721 0.538 19002 2964 1 8 . 1 1 13 13 PRO CB C 13 32.067 32.067 30.963 1.104 19002 2965 1 8 . 1 1 14 14 GLY N N 14 109.192 109.192 111.282 -2.090 19002 2966 1 8 . 1 1 14 14 GLY C C 14 174.227 174.227 174.090 0.137 19002 2967 1 8 . 1 1 14 14 GLY CA C 14 45.497 45.497 45.462 0.035 19002 2968 1 8 . 1 1 14 14 GLY H H 14 8.467 8.467 8.179 0.288 19002 2969 1 8 . 1 1 15 15 VAL N N 15 119.157 119.157 121.543 -2.386 19002 2970 1 8 . 1 1 15 15 VAL HA H 15 4.081 4.081 4.079 0.002 19002 2971 1 8 . 1 1 15 15 VAL C C 15 175.986 175.986 175.478 0.508 19002 2972 1 8 . 1 1 15 15 VAL CA C 15 62.529 62.529 62.423 0.106 19002 2973 1 8 . 1 1 15 15 VAL CB C 15 32.491 32.491 31.776 0.715 19002 2974 1 8 . 1 1 15 15 VAL H H 15 7.837 7.837 7.926 -0.089 19002 2975 1 8 . 1 1 16 16 PHE N N 16 123.110 123.110 125.791 -2.681 19002 2976 1 8 . 1 1 16 16 PHE HA H 16 4.614 4.614 4.142 0.472 19002 2977 1 8 . 1 1 16 16 PHE C C 16 175.804 175.804 173.682 2.122 19002 2978 1 8 . 1 1 16 16 PHE CA C 16 58.398 58.398 58.471 -0.073 19002 2979 1 8 . 1 1 16 16 PHE CB C 16 39.475 39.475 39.337 0.138 19002 2980 1 8 . 1 1 16 16 PHE H H 16 8.265 8.265 8.590 -0.325 19002 2981 1 8 . 1 1 17 17 ARG N N 17 122.074 122.074 123.269 -1.195 19002 2982 1 8 . 1 1 17 17 ARG HA H 17 4.323 4.323 4.583 -0.260 19002 2983 1 8 . 1 1 17 17 ARG C C 17 176.452 176.452 176.094 0.358 19002 2984 1 8 . 1 1 17 17 ARG CA C 17 56.710 56.710 54.410 2.300 19002 2985 1 8 . 1 1 17 17 ARG CB C 17 30.937 30.937 32.627 -1.690 19002 2986 1 8 . 1 1 17 17 ARG H H 17 8.155 8.155 8.091 0.064 19002 2987 1 8 . 1 1 18 18 THR N N 18 114.223 114.223 114.274 -0.051 19002 2988 1 8 . 1 1 18 18 THR HA H 18 4.231 4.231 4.293 -0.062 19002 2989 1 8 . 1 1 18 18 THR C C 18 174.348 174.348 175.079 -0.731 19002 2990 1 8 . 1 1 18 18 THR CA C 18 62.410 62.410 63.129 -0.719 19002 2991 1 8 . 1 1 18 18 THR CB C 18 69.509 69.509 68.863 0.646 19002 2992 1 8 . 1 1 18 18 THR H H 18 8.015 8.015 8.541 -0.526 19002 2993 1 8 . 1 1 19 19 ARG N N 19 120.957 120.957 127.279 -6.322 19002 2994 1 8 . 1 1 19 19 ARG HA H 19 4.323 4.323 4.095 0.228 19002 2995 1 8 . 1 1 19 19 ARG C C 19 175.986 175.986 176.695 -0.709 19002 2996 1 8 . 1 1 19 19 ARG CA C 19 56.093 56.093 58.146 -2.053 19002 2997 1 8 . 1 1 19 19 ARG CB C 19 30.480 30.480 30.680 -0.200 19002 2998 1 8 . 1 1 19 19 ARG H H 19 8.080 8.080 8.720 -0.640 19002 2999 1 8 . 1 1 20 20 GLY N N 20 107.963 107.963 106.187 1.776 19002 3000 1 8 . 1 1 20 20 GLY C C 20 173.802 173.802 172.181 1.621 19002 3001 1 8 . 1 1 20 20 GLY CA C 20 45.273 45.273 44.785 0.488 19002 3002 1 8 . 1 1 20 20 GLY H H 20 8.241 8.241 8.048 0.193 19002 3003 1 8 . 1 1 21 21 LEU N N 21 121.181 121.181 123.346 -2.165 19002 3004 1 8 . 1 1 21 21 LEU HA H 21 4.770 4.770 4.604 0.166 19002 3005 1 8 . 1 1 21 21 LEU C C 21 178.414 178.414 177.015 1.399 19002 3006 1 8 . 1 1 21 21 LEU CA C 21 54.677 54.677 54.123 0.554 19002 3007 1 8 . 1 1 21 21 LEU CB C 21 43.142 43.142 42.930 0.212 19002 3008 1 8 . 1 1 21 21 LEU H H 21 7.967 7.967 8.052 -0.085 19002 3009 1 8 . 1 1 22 22 THR N N 22 114.494 114.494 116.596 -2.102 19002 3010 1 8 . 1 1 22 22 THR HA H 22 4.558 4.558 4.310 0.248 19002 3011 1 8 . 1 1 22 22 THR C C 22 175.359 175.359 175.267 0.092 19002 3012 1 8 . 1 1 22 22 THR CA C 22 61.316 61.316 61.123 0.193 19002 3013 1 8 . 1 1 22 22 THR CB C 22 71.015 71.015 70.255 0.760 19002 3014 1 8 . 1 1 22 22 THR H H 22 9.075 9.075 8.221 0.854 19002 3015 1 8 . 1 1 23 23 ASP N N 23 121.204 121.204 120.505 0.699 19002 3016 1 8 . 1 1 23 23 ASP HA H 23 4.485 4.485 4.349 0.136 19002 3017 1 8 . 1 1 23 23 ASP C C 23 178.697 178.697 178.131 0.566 19002 3018 1 8 . 1 1 23 23 ASP CA C 23 58.315 58.315 58.030 0.285 19002 3019 1 8 . 1 1 23 23 ASP CB C 23 39.931 39.931 40.964 -1.033 19002 3020 1 8 . 1 1 23 23 ASP H H 23 8.943 8.943 8.820 0.123 19002 3021 1 8 . 1 1 24 24 GLU N N 24 119.241 119.241 118.588 0.653 19002 3022 1 8 . 1 1 24 24 GLU HA H 24 4.199 4.199 4.136 0.063 19002 3023 1 8 . 1 1 24 24 GLU C C 24 179.911 179.911 179.225 0.686 19002 3024 1 8 . 1 1 24 24 GLU CA C 24 59.973 59.973 59.552 0.421 19002 3025 1 8 . 1 1 24 24 GLU CB C 24 29.306 29.306 29.175 0.131 19002 3026 1 8 . 1 1 24 24 GLU H H 24 8.741 8.741 8.642 0.099 19002 3027 1 8 . 1 1 25 25 GLU N N 25 121.151 121.151 119.895 1.256 19002 3028 1 8 . 1 1 25 25 GLU HA H 25 4.200 4.200 4.267 -0.067 19002 3029 1 8 . 1 1 25 25 GLU C C 25 178.394 178.394 179.313 -0.919 19002 3030 1 8 . 1 1 25 25 GLU CA C 25 59.178 59.178 58.684 0.494 19002 3031 1 8 . 1 1 25 25 GLU CB C 25 30.873 30.873 29.472 1.401 19002 3032 1 8 . 1 1 25 25 GLU H H 25 7.801 7.801 7.695 0.106 19002 3033 1 8 . 1 1 26 26 TYR N N 26 120.692 120.692 120.998 -0.306 19002 3034 1 8 . 1 1 26 26 TYR HA H 26 4.184 4.184 4.149 0.035 19002 3035 1 8 . 1 1 26 26 TYR C C 26 177.483 177.483 177.489 -0.006 19002 3036 1 8 . 1 1 26 26 TYR CA C 26 61.924 61.924 61.582 0.342 19002 3037 1 8 . 1 1 26 26 TYR CB C 26 37.837 37.837 38.717 -0.880 19002 3038 1 8 . 1 1 26 26 TYR H H 26 8.897 8.897 8.875 0.022 19002 3039 1 8 . 1 1 27 27 ASP N N 27 118.898 118.898 119.992 -1.094 19002 3040 1 8 . 1 1 27 27 ASP HA H 27 4.338 4.338 4.276 0.062 19002 3041 1 8 . 1 1 27 27 ASP C C 27 178.535 178.535 178.152 0.383 19002 3042 1 8 . 1 1 27 27 ASP CA C 27 57.864 57.864 58.106 -0.242 19002 3043 1 8 . 1 1 27 27 ASP CB C 27 40.797 40.797 40.815 -0.018 19002 3044 1 8 . 1 1 27 27 ASP H H 27 8.135 8.135 8.258 -0.123 19002 3045 1 8 . 1 1 28 28 GLU N N 28 121.020 121.020 120.397 0.623 19002 3046 1 8 . 1 1 28 28 GLU HA H 28 4.101 4.101 4.020 0.081 19002 3047 1 8 . 1 1 28 28 GLU C C 28 178.394 178.394 178.636 -0.242 19002 3048 1 8 . 1 1 28 28 GLU CA C 28 59.450 59.450 59.436 0.014 19002 3049 1 8 . 1 1 28 28 GLU CB C 28 29.231 29.231 29.813 -0.582 19002 3050 1 8 . 1 1 28 28 GLU H H 28 7.655 7.655 8.230 -0.575 19002 3051 1 8 . 1 1 29 29 PHE N N 29 121.567 121.567 120.783 0.784 19002 3052 1 8 . 1 1 29 29 PHE HA H 29 3.765 3.765 4.061 -0.296 19002 3053 1 8 . 1 1 29 29 PHE C C 29 176.169 176.169 177.117 -0.948 19002 3054 1 8 . 1 1 29 29 PHE CA C 29 61.371 61.371 60.628 0.743 19002 3055 1 8 . 1 1 29 29 PHE CB C 29 37.588 37.588 38.274 -0.686 19002 3056 1 8 . 1 1 29 29 PHE H H 29 8.471 8.471 8.165 0.306 19002 3057 1 8 . 1 1 30 30 LYS N N 30 118.916 118.916 119.494 -0.578 19002 3058 1 8 . 1 1 30 30 LYS HA H 30 3.137 3.137 3.313 -0.176 19002 3059 1 8 . 1 1 30 30 LYS C C 30 179.445 179.445 178.616 0.829 19002 3060 1 8 . 1 1 30 30 LYS CA C 30 60.346 60.346 59.798 0.548 19002 3061 1 8 . 1 1 30 30 LYS CB C 30 31.992 31.992 31.878 0.114 19002 3062 1 8 . 1 1 30 30 LYS H H 30 8.287 8.287 8.311 -0.024 19002 3063 1 8 . 1 1 31 31 LYS N N 31 120.113 120.113 119.618 0.495 19002 3064 1 8 . 1 1 31 31 LYS HA H 31 4.018 4.018 3.871 0.147 19002 3065 1 8 . 1 1 31 31 LYS C C 31 179.918 179.918 179.090 0.828 19002 3066 1 8 . 1 1 31 31 LYS CA C 31 59.700 59.700 59.503 0.197 19002 3067 1 8 . 1 1 31 31 LYS CB C 31 32.300 32.300 32.354 -0.054 19002 3068 1 8 . 1 1 31 31 LYS H H 31 7.690 7.690 8.356 -0.666 19002 3069 1 8 . 1 1 32 32 ARG N N 32 121.200 121.200 117.884 3.316 19002 3070 1 8 . 1 1 32 32 ARG HA H 32 3.893 3.893 3.914 -0.021 19002 3071 1 8 . 1 1 32 32 ARG C C 32 178.990 178.990 178.858 0.132 19002 3072 1 8 . 1 1 32 32 ARG CA C 32 59.452 59.452 59.140 0.312 19002 3073 1 8 . 1 1 32 32 ARG CB C 32 31.284 31.284 30.187 1.097 19002 3074 1 8 . 1 1 32 32 ARG H H 32 8.299 8.299 8.451 -0.152 19002 3075 1 8 . 1 1 33 33 ARG N N 33 120.223 120.223 120.730 -0.507 19002 3076 1 8 . 1 1 33 33 ARG HA H 33 3.698 3.698 4.021 -0.323 19002 3077 1 8 . 1 1 33 33 ARG C C 33 178.697 178.697 177.756 0.941 19002 3078 1 8 . 1 1 33 33 ARG CA C 33 59.607 59.607 59.249 0.358 19002 3079 1 8 . 1 1 33 33 ARG CB C 33 29.570 29.570 29.823 -0.253 19002 3080 1 8 . 1 1 33 33 ARG H H 33 8.704 8.704 8.426 0.278 19002 3081 1 8 . 1 1 34 34 GLU N N 34 119.860 119.860 119.352 0.508 19002 3082 1 8 . 1 1 34 34 GLU HA H 34 4.046 4.046 3.970 0.076 19002 3083 1 8 . 1 1 34 34 GLU C C 34 179.850 179.850 179.275 0.575 19002 3084 1 8 . 1 1 34 34 GLU CA C 34 59.210 59.210 59.416 -0.206 19002 3085 1 8 . 1 1 34 34 GLU CB C 34 29.380 29.380 29.267 0.113 19002 3086 1 8 . 1 1 34 34 GLU H H 34 7.941 7.941 8.620 -0.679 19002 3087 1 8 . 1 1 35 35 SER N N 35 115.261 115.261 115.948 -0.687 19002 3088 1 8 . 1 1 35 35 SER HA H 35 4.378 4.378 4.212 0.166 19002 3089 1 8 . 1 1 35 35 SER C C 35 175.339 175.339 176.086 -0.747 19002 3090 1 8 . 1 1 35 35 SER CA C 35 60.068 60.068 60.829 -0.761 19002 3091 1 8 . 1 1 35 35 SER CB C 35 63.321 63.321 63.184 0.137 19002 3092 1 8 . 1 1 35 35 SER H H 35 7.813 7.813 7.740 0.073 19002 3093 1 8 . 1 1 36 36 ARG N N 36 119.557 119.557 119.407 0.150 19002 3094 1 8 . 1 1 36 36 ARG HA H 36 4.439 4.439 4.425 0.014 19002 3095 1 8 . 1 1 36 36 ARG C C 36 177.524 177.524 176.071 1.453 19002 3096 1 8 . 1 1 36 36 ARG CA C 36 55.794 55.794 54.805 0.989 19002 3097 1 8 . 1 1 36 36 ARG CB C 36 30.276 30.276 30.343 -0.067 19002 3098 1 8 . 1 1 36 36 ARG H H 36 7.459 7.459 7.263 0.196 19002 3099 1 8 . 1 1 37 37 GLY N N 37 109.722 109.722 106.230 3.492 19002 3100 1 8 . 1 1 37 37 GLY C C 37 175.117 175.117 175.005 0.112 19002 3101 1 8 . 1 1 37 37 GLY CA C 37 46.691 46.691 45.457 1.234 19002 3102 1 8 . 1 1 37 37 GLY H H 37 7.981 7.981 8.097 -0.116 19002 3103 1 8 . 1 1 38 38 GLY N N 38 104.904 104.904 106.091 -1.187 19002 3104 1 8 . 1 1 38 38 GLY C C 38 174.489 174.489 174.885 -0.396 19002 3105 1 8 . 1 1 38 38 GLY CA C 38 45.012 45.012 44.896 0.116 19002 3106 1 8 . 1 1 38 38 GLY H H 38 8.271 8.271 8.588 -0.317 19002 3107 1 8 . 1 1 39 39 LYS N N 39 122.169 122.169 123.512 -1.343 19002 3108 1 8 . 1 1 39 39 LYS HA H 39 4.515 4.515 4.409 0.106 19002 3109 1 8 . 1 1 39 39 LYS C C 39 174.995 174.995 175.151 -0.156 19002 3110 1 8 . 1 1 39 39 LYS CA C 39 55.622 55.622 55.916 -0.294 19002 3111 1 8 . 1 1 39 39 LYS CB C 39 30.846 30.846 31.512 -0.666 19002 3112 1 8 . 1 1 39 39 LYS H H 39 7.471 7.471 7.530 -0.059 19002 3113 1 8 . 1 1 40 40 TYR N N 40 123.749 123.749 121.949 1.800 19002 3114 1 8 . 1 1 40 40 TYR HA H 40 4.893 4.893 4.604 0.289 19002 3115 1 8 . 1 1 40 40 TYR C C 40 173.883 173.883 173.871 0.012 19002 3116 1 8 . 1 1 40 40 TYR CA C 40 58.629 58.629 57.342 1.287 19002 3117 1 8 . 1 1 40 40 TYR CB C 40 40.871 40.871 40.320 0.551 19002 3118 1 8 . 1 1 40 40 TYR H H 40 7.687 7.687 7.998 -0.311 19002 3119 1 8 . 1 1 41 41 SER N N 41 124.561 124.561 120.611 3.950 19002 3120 1 8 . 1 1 41 41 SER HA H 41 5.061 5.061 4.578 0.483 19002 3121 1 8 . 1 1 41 41 SER C C 41 175.258 175.258 174.808 0.450 19002 3122 1 8 . 1 1 41 41 SER CA C 41 56.913 56.913 56.785 0.128 19002 3123 1 8 . 1 1 41 41 SER CB C 41 67.136 67.136 64.761 2.375 19002 3124 1 8 . 1 1 41 41 SER H H 41 9.246 9.246 7.917 1.329 19002 3125 1 8 . 1 1 42 42 ILE N N 42 122.298 122.298 120.630 1.668 19002 3126 1 8 . 1 1 42 42 ILE HA H 42 3.384 3.384 3.257 0.127 19002 3127 1 8 . 1 1 42 42 ILE C C 42 176.573 176.573 176.285 0.288 19002 3128 1 8 . 1 1 42 42 ILE CA C 42 63.317 63.317 62.330 0.987 19002 3129 1 8 . 1 1 42 42 ILE CB C 42 37.290 37.290 37.692 -0.402 19002 3130 1 8 . 1 1 42 42 ILE H H 42 8.848 8.848 8.931 -0.083 19002 3131 1 8 . 1 1 43 43 ASP N N 43 118.987 118.987 117.260 1.727 19002 3132 1 8 . 1 1 43 43 ASP HA H 43 4.317 4.317 3.725 0.592 19002 3133 1 8 . 1 1 43 43 ASP C C 43 178.940 178.940 177.474 1.466 19002 3134 1 8 . 1 1 43 43 ASP CA C 43 57.809 57.809 56.736 1.073 19002 3135 1 8 . 1 1 43 43 ASP CB C 43 40.722 40.722 38.952 1.770 19002 3136 1 8 . 1 1 43 43 ASP H H 43 7.673 7.673 8.091 -0.418 19002 3137 1 8 . 1 1 44 44 ASP N N 44 121.961 121.961 120.143 1.818 19002 3138 1 8 . 1 1 44 44 ASP HA H 44 4.259 4.259 4.231 0.028 19002 3139 1 8 . 1 1 44 44 ASP C C 44 177.564 177.564 177.764 -0.200 19002 3140 1 8 . 1 1 44 44 ASP CA C 44 57.624 57.624 56.706 0.918 19002 3141 1 8 . 1 1 44 44 ASP CB C 44 41.244 41.244 40.877 0.367 19002 3142 1 8 . 1 1 44 44 ASP H H 44 7.610 7.610 7.376 0.234 19002 3143 1 8 . 1 1 45 45 TYR N N 45 121.352 121.352 121.484 -0.132 19002 3144 1 8 . 1 1 45 45 TYR HA H 45 4.676 4.676 4.366 0.310 19002 3145 1 8 . 1 1 45 45 TYR C C 45 177.362 177.362 177.880 -0.518 19002 3146 1 8 . 1 1 45 45 TYR CA C 45 60.703 60.703 61.364 -0.661 19002 3147 1 8 . 1 1 45 45 TYR CB C 45 38.747 38.747 38.759 -0.012 19002 3148 1 8 . 1 1 45 45 TYR H H 45 7.750 7.750 7.221 0.529 19002 3149 1 8 . 1 1 46 46 LEU N N 46 118.650 118.650 119.318 -0.668 19002 3150 1 8 . 1 1 46 46 LEU HA H 46 3.697 3.697 3.861 -0.164 19002 3151 1 8 . 1 1 46 46 LEU C C 46 179.850 179.850 178.790 1.060 19002 3152 1 8 . 1 1 46 46 LEU CA C 46 57.807 57.807 57.666 0.141 19002 3153 1 8 . 1 1 46 46 LEU CB C 46 41.205 41.205 41.527 -0.322 19002 3154 1 8 . 1 1 46 46 LEU H H 46 8.544 8.544 8.721 -0.177 19002 3155 1 8 . 1 1 47 47 ALA N N 47 121.991 121.991 121.510 0.481 19002 3156 1 8 . 1 1 47 47 ALA HA H 47 4.190 4.190 3.911 0.279 19002 3157 1 8 . 1 1 47 47 ALA C C 47 180.457 180.457 179.495 0.962 19002 3158 1 8 . 1 1 47 47 ALA CA C 47 55.048 55.048 55.337 -0.289 19002 3159 1 8 . 1 1 47 47 ALA CB C 47 18.337 18.337 17.989 0.348 19002 3160 1 8 . 1 1 47 47 ALA H H 47 7.716 7.716 8.276 -0.560 19002 3161 1 8 . 1 1 48 48 ASP N N 48 120.788 120.788 118.213 2.575 19002 3162 1 8 . 1 1 48 48 ASP HA H 48 4.505 4.505 4.351 0.154 19002 3163 1 8 . 1 1 48 48 ASP C C 48 178.596 178.596 177.798 0.798 19002 3164 1 8 . 1 1 48 48 ASP CA C 48 57.361 57.361 56.747 0.614 19002 3165 1 8 . 1 1 48 48 ASP CB C 48 40.076 40.076 40.957 -0.881 19002 3166 1 8 . 1 1 48 48 ASP H H 48 8.316 8.316 7.626 0.690 19002 3167 1 8 . 1 1 49 49 ARG N N 49 120.274 120.274 120.436 -0.162 19002 3168 1 8 . 1 1 49 49 ARG HA H 49 3.952 3.952 3.719 0.233 19002 3169 1 8 . 1 1 49 49 ARG C C 49 178.454 178.454 178.355 0.099 19002 3170 1 8 . 1 1 49 49 ARG CA C 49 58.133 58.133 59.224 -1.091 19002 3171 1 8 . 1 1 49 49 ARG CB C 49 29.231 29.231 30.087 -0.856 19002 3172 1 8 . 1 1 49 49 ARG H H 49 8.459 8.459 8.191 0.268 19002 3173 1 8 . 1 1 50 50 GLU N N 50 118.834 118.834 117.189 1.645 19002 3174 1 8 . 1 1 50 50 GLU HA H 50 4.101 4.101 4.038 0.063 19002 3175 1 8 . 1 1 50 50 GLU C C 50 178.353 178.353 179.351 -0.998 19002 3176 1 8 . 1 1 50 50 GLU CA C 50 58.928 58.928 59.238 -0.310 19002 3177 1 8 . 1 1 50 50 GLU CB C 50 29.530 29.530 28.998 0.532 19002 3178 1 8 . 1 1 50 50 GLU H H 50 7.734 7.734 8.495 -0.761 19002 3179 1 8 . 1 1 51 51 ARG N N 51 119.239 119.239 118.488 0.751 19002 3180 1 8 . 1 1 51 51 ARG HA H 51 4.240 4.240 4.174 0.066 19002 3181 1 8 . 1 1 51 51 ARG C C 51 178.370 178.370 178.853 -0.483 19002 3182 1 8 . 1 1 51 51 ARG CA C 51 58.105 58.105 58.778 -0.673 19002 3183 1 8 . 1 1 51 51 ARG CB C 51 30.649 30.649 30.530 0.119 19002 3184 1 8 . 1 1 51 51 ARG H H 51 7.694 7.694 7.279 0.415 19002 3185 1 8 . 1 1 52 52 GLU N N 52 119.667 119.667 119.040 0.627 19002 3186 1 8 . 1 1 52 52 GLU HA H 52 4.099 4.099 4.039 0.060 19002 3187 1 8 . 1 1 52 52 GLU C C 52 178.370 178.370 179.059 -0.689 19002 3188 1 8 . 1 1 52 52 GLU CA C 52 58.538 58.538 58.769 -0.231 19002 3189 1 8 . 1 1 52 52 GLU CB C 52 29.661 29.661 28.890 0.771 19002 3190 1 8 . 1 1 52 52 GLU H H 52 8.299 8.299 8.521 -0.222 19002 3191 1 8 . 1 1 53 53 GLU N N 53 119.152 119.152 118.310 0.842 19002 3192 1 8 . 1 1 53 53 GLU HA H 53 4.210 4.210 4.016 0.194 19002 3193 1 8 . 1 1 53 53 GLU C C 53 177.740 177.740 178.675 -0.935 19002 3194 1 8 . 1 1 53 53 GLU CA C 53 58.172 58.172 59.500 -1.328 19002 3195 1 8 . 1 1 53 53 GLU CB C 53 29.530 29.530 29.403 0.127 19002 3196 1 8 . 1 1 53 53 GLU H H 53 8.098 8.098 8.285 -0.187 19002 3197 1 8 . 1 1 54 54 GLU N N 54 120.097 120.097 118.389 1.708 19002 3198 1 8 . 1 1 54 54 GLU HA H 54 4.212 4.212 4.208 0.004 19002 3199 1 8 . 1 1 54 54 GLU C C 54 177.443 177.443 178.314 -0.871 19002 3200 1 8 . 1 1 54 54 GLU CA C 54 58.081 58.081 58.468 -0.387 19002 3201 1 8 . 1 1 54 54 GLU CB C 54 29.788 29.788 29.488 0.300 19002 3202 1 8 . 1 1 54 54 GLU H H 54 7.968 7.968 7.788 0.180 19002 3203 1 8 . 1 1 55 55 LEU N N 55 120.563 120.563 118.911 1.652 19002 3204 1 8 . 1 1 55 55 LEU HA H 55 4.288 4.288 4.358 -0.070 19002 3205 1 8 . 1 1 55 55 LEU C C 55 177.735 177.735 178.553 -0.818 19002 3206 1 8 . 1 1 55 55 LEU CA C 55 56.070 56.070 56.290 -0.220 19002 3207 1 8 . 1 1 55 55 LEU CB C 55 42.062 42.062 42.219 -0.157 19002 3208 1 8 . 1 1 55 55 LEU H H 55 7.905 7.905 7.801 0.104 19002 3209 1 8 . 1 1 56 56 LEU N N 56 121.250 121.250 120.511 0.739 19002 3210 1 8 . 1 1 56 56 LEU HA H 56 4.312 4.312 4.233 0.079 19002 3211 1 8 . 1 1 56 56 LEU C C 56 177.726 177.726 177.533 0.193 19002 3212 1 8 . 1 1 56 56 LEU CA C 56 55.979 55.979 56.762 -0.783 19002 3213 1 8 . 1 1 56 56 LEU CB C 56 42.635 42.635 42.654 -0.019 19002 3214 1 8 . 1 1 56 56 LEU H H 56 7.859 7.859 7.909 -0.050 19002 3215 1 8 . 1 1 57 57 GLU N N 57 120.632 120.632 117.431 3.201 19002 3216 1 8 . 1 1 57 57 GLU HA H 57 4.283 4.283 4.548 -0.265 19002 3217 1 8 . 1 1 57 57 GLU C C 57 176.553 176.553 174.627 1.926 19002 3218 1 8 . 1 1 57 57 GLU CA C 57 57.076 57.076 54.843 2.233 19002 3219 1 8 . 1 1 57 57 GLU CB C 57 30.052 30.052 30.815 -0.763 19002 3220 1 8 . 1 1 57 57 GLU H H 57 8.153 8.153 7.579 0.574 19002 3221 1 8 . 1 1 58 58 ARG N N 58 121.282 121.282 120.792 0.490 19002 3222 1 8 . 1 1 58 58 ARG HA H 58 4.372 4.372 4.583 -0.211 19002 3223 1 8 . 1 1 58 58 ARG C C 58 176.169 176.169 176.761 -0.592 19002 3224 1 8 . 1 1 58 58 ARG CA C 58 56.344 56.344 55.134 1.210 19002 3225 1 8 . 1 1 58 58 ARG CB C 58 31.102 31.102 31.606 -0.504 19002 3226 1 8 . 1 1 58 58 ARG H H 58 8.146 8.146 8.433 -0.287 19002 3227 1 8 . 1 1 59 59 ASP N N 59 121.619 121.619 126.736 -5.117 19002 3228 1 8 . 1 1 59 59 ASP HA H 59 4.639 4.639 4.585 0.054 19002 3229 1 8 . 1 1 59 59 ASP C C 59 176.553 176.553 177.426 -0.873 19002 3230 1 8 . 1 1 59 59 ASP CA C 59 54.768 54.768 57.481 -2.713 19002 3231 1 8 . 1 1 59 59 ASP CB C 59 41.256 41.256 40.989 0.268 19002 3232 1 8 . 1 1 59 59 ASP H H 59 8.386 8.386 8.847 -0.461 19002 3233 1 8 . 1 1 60 60 GLU N N 60 121.214 121.214 116.792 4.422 19002 3234 1 8 . 1 1 60 60 GLU HA H 60 4.273 4.273 4.130 0.143 19002 3235 1 8 . 1 1 60 60 GLU C C 60 176.876 176.876 177.320 -0.444 19002 3236 1 8 . 1 1 60 60 GLU CA C 60 57.361 57.361 57.776 -0.415 19002 3237 1 8 . 1 1 60 60 GLU CB C 60 30.425 30.425 28.988 1.437 19002 3238 1 8 . 1 1 60 60 GLU H H 60 8.372 8.372 8.461 -0.089 19002 3239 1 8 . 1 1 61 61 GLU N N 61 121.077 121.077 119.162 1.915 19002 3240 1 8 . 1 1 61 61 GLU HA H 61 4.210 4.210 4.138 0.072 19002 3241 1 8 . 1 1 61 61 GLU C C 61 176.832 176.832 177.286 -0.454 19002 3242 1 8 . 1 1 61 61 GLU CA C 61 57.734 57.734 58.895 -1.161 19002 3243 1 8 . 1 1 61 61 GLU CB C 61 30.425 30.425 30.023 0.402 19002 3244 1 8 . 1 1 61 61 GLU H H 61 8.384 8.384 7.822 0.562 19002 3245 1 8 . 1 1 62 62 GLU N N 62 121.155 121.155 115.617 5.538 19002 3246 1 8 . 1 1 62 62 GLU HA H 62 4.249 4.249 4.546 -0.297 19002 3247 1 8 . 1 1 62 62 GLU C C 62 176.432 176.432 174.399 2.033 19002 3248 1 8 . 1 1 62 62 GLU CA C 62 57.137 57.137 57.250 -0.113 19002 3249 1 8 . 1 1 62 62 GLU CB C 62 30.425 30.425 30.995 -0.570 19002 3250 1 8 . 1 1 62 62 GLU H H 62 8.300 8.300 7.889 0.411 19002 3251 1 8 . 1 1 63 63 ALA N N 63 124.607 124.607 122.346 2.261 19002 3252 1 8 . 1 1 63 63 ALA HA H 63 4.293 4.293 4.763 -0.469 19002 3253 1 8 . 1 1 63 63 ALA C C 63 177.483 177.483 176.905 0.578 19002 3254 1 8 . 1 1 63 63 ALA CA C 63 52.915 52.915 52.101 0.814 19002 3255 1 8 . 1 1 63 63 ALA CB C 63 19.070 19.070 19.033 0.037 19002 3256 1 8 . 1 1 63 63 ALA H H 63 8.178 8.178 8.441 -0.263 19002 3257 1 8 . 1 1 64 64 ILE N N 64 118.941 118.941 120.081 -1.140 19002 3258 1 8 . 1 1 64 64 ILE HA H 64 4.076 4.076 4.288 -0.212 19002 3259 1 8 . 1 1 64 64 ILE C C 64 176.047 176.047 176.617 -0.570 19002 3260 1 8 . 1 1 64 64 ILE CA C 64 61.342 61.342 62.542 -1.200 19002 3261 1 8 . 1 1 64 64 ILE CB C 64 38.700 38.700 39.909 -1.209 19002 3262 1 8 . 1 1 64 64 ILE H H 64 7.872 7.872 8.512 -0.640 19002 3263 1 8 . 1 1 65 65 PHE N N 65 122.809 122.809 119.154 3.655 19002 3264 1 8 . 1 1 65 65 PHE HA H 65 4.615 4.615 4.993 -0.378 19002 3265 1 8 . 1 1 65 65 PHE C C 65 176.270 176.270 176.196 0.074 19002 3266 1 8 . 1 1 65 65 PHE CA C 65 57.807 57.807 56.977 0.830 19002 3267 1 8 . 1 1 65 65 PHE CB C 65 39.827 39.827 38.683 1.144 19002 3268 1 8 . 1 1 65 65 PHE H H 65 8.188 8.188 7.880 0.308 19002 3269 1 8 . 1 1 66 66 GLY N N 66 110.278 110.278 108.780 1.498 19002 3270 1 8 . 1 1 66 66 GLY C C 66 173.802 173.802 173.472 0.330 19002 3271 1 8 . 1 1 66 66 GLY CA C 66 45.391 45.391 44.554 0.837 19002 3272 1 8 . 1 1 66 66 GLY H H 66 8.213 8.213 7.885 0.328 19002 3273 1 8 . 1 1 67 67 ASP N N 67 120.510 120.510 120.624 -0.114 19002 3274 1 8 . 1 1 67 67 ASP HA H 67 4.599 4.599 4.320 0.279 19002 3275 1 8 . 1 1 67 67 ASP C C 67 176.897 176.897 176.849 0.048 19002 3276 1 8 . 1 1 67 67 ASP CA C 67 54.425 54.425 55.424 -0.999 19002 3277 1 8 . 1 1 67 67 ASP CB C 67 41.265 41.265 40.747 0.518 19002 3278 1 8 . 1 1 67 67 ASP H H 67 8.254 8.254 7.950 0.304 19002 3279 1 8 . 1 1 68 68 GLY N N 68 108.789 108.789 105.448 3.341 19002 3280 1 8 . 1 1 68 68 GLY C C 68 174.307 174.307 173.661 0.646 19002 3281 1 8 . 1 1 68 68 GLY CA C 68 46.020 46.020 45.469 0.551 19002 3282 1 8 . 1 1 68 68 GLY H H 68 8.342 8.342 8.424 -0.082 19002 3283 1 8 . 1 1 69 69 PHE N N 69 119.903 119.903 116.275 3.628 19002 3284 1 8 . 1 1 69 69 PHE HA H 69 4.599 4.599 4.898 -0.299 19002 3285 1 8 . 1 1 69 69 PHE C C 69 176.432 176.432 176.286 0.146 19002 3286 1 8 . 1 1 69 69 PHE CA C 69 58.146 58.146 56.288 1.858 19002 3287 1 8 . 1 1 69 69 PHE CB C 69 39.339 39.339 39.214 0.125 19002 3288 1 8 . 1 1 69 69 PHE H H 69 8.178 8.178 7.134 1.044 19002 3289 1 8 . 1 1 70 70 GLY N N 70 110.089 110.089 107.790 2.299 19002 3290 1 8 . 1 1 70 70 GLY C C 70 174.227 174.227 174.050 0.177 19002 3291 1 8 . 1 1 70 70 GLY CA C 70 45.628 45.628 44.811 0.817 19002 3292 1 8 . 1 1 70 70 GLY H H 70 8.382 8.382 8.318 0.064 19002 3293 1 8 . 1 1 71 71 LEU N N 71 121.600 121.600 121.179 0.421 19002 3294 1 8 . 1 1 71 71 LEU HA H 71 4.290 4.290 3.710 0.580 19002 3295 1 8 . 1 1 71 71 LEU C C 71 177.645 177.645 177.991 -0.346 19002 3296 1 8 . 1 1 71 71 LEU CA C 71 55.500 55.500 57.371 -1.871 19002 3297 1 8 . 1 1 71 71 LEU CB C 71 42.400 42.400 40.776 1.624 19002 3298 1 8 . 1 1 71 71 LEU H H 71 8.069 8.069 8.208 -0.139 19002 3299 1 8 . 1 1 72 72 LYS N N 72 121.214 121.214 121.643 -0.429 19002 3300 1 8 . 1 1 72 72 LYS HA H 72 4.283 4.283 4.026 0.257 19002 3301 1 8 . 1 1 72 72 LYS C C 72 176.553 176.553 177.869 -1.316 19002 3302 1 8 . 1 1 72 72 LYS CA C 72 56.594 56.594 58.399 -1.805 19002 3303 1 8 . 1 1 72 72 LYS CB C 72 32.765 32.765 32.440 0.325 19002 3304 1 8 . 1 1 72 72 LYS H H 72 8.372 8.372 8.384 -0.012 19002 3305 1 8 . 1 1 73 73 ALA N N 73 124.187 124.187 119.300 4.887 19002 3306 1 8 . 1 1 73 73 ALA HA H 73 4.347 4.347 4.228 0.119 19002 3307 1 8 . 1 1 73 73 ALA C C 73 178.009 178.009 177.056 0.953 19002 3308 1 8 . 1 1 73 73 ALA CA C 73 52.597 52.597 53.511 -0.914 19002 3309 1 8 . 1 1 73 73 ALA CB C 73 19.239 19.239 19.233 0.006 19002 3310 1 8 . 1 1 73 73 ALA H H 73 8.188 8.188 7.815 0.373 19002 3311 1 8 . 1 1 74 74 THR N N 74 112.973 112.973 111.056 1.917 19002 3312 1 8 . 1 1 74 74 THR HA H 74 4.339 4.339 4.437 -0.098 19002 3313 1 8 . 1 1 74 74 THR C C 74 174.753 174.753 174.079 0.674 19002 3314 1 8 . 1 1 74 74 THR CA C 74 62.046 62.046 61.205 0.841 19002 3315 1 8 . 1 1 74 74 THR CB C 74 69.779 69.779 69.371 0.409 19002 3316 1 8 . 1 1 74 74 THR H H 74 8.054 8.054 7.200 0.854 19002 3317 1 8 . 1 1 75 75 ARG N N 75 123.112 123.112 124.637 -1.525 19002 3318 1 8 . 1 1 75 75 ARG HA H 75 4.371 4.371 4.541 -0.170 19002 3319 1 8 . 1 1 75 75 ARG C C 75 176.411 176.411 175.630 0.781 19002 3320 1 8 . 1 1 75 75 ARG CA C 75 56.801 56.801 54.855 1.946 19002 3321 1 8 . 1 1 75 75 ARG CB C 75 30.798 30.798 30.199 0.599 19002 3322 1 8 . 1 1 75 75 ARG H H 75 8.296 8.296 8.587 -0.291 19002 3323 1 8 . 1 1 76 76 ARG N N 76 121.977 121.977 122.323 -0.346 19002 3324 1 8 . 1 1 76 76 ARG HA H 76 4.362 4.362 4.560 -0.198 19002 3325 1 8 . 1 1 76 76 ARG C C 76 176.411 176.411 175.694 0.717 19002 3326 1 8 . 1 1 76 76 ARG CA C 76 56.689 56.689 54.506 2.183 19002 3327 1 8 . 1 1 76 76 ARG CB C 76 30.873 30.873 28.714 2.159 19002 3328 1 8 . 1 1 76 76 ARG H H 76 8.360 8.360 8.258 0.102 19002 3329 1 8 . 1 1 77 77 SER N N 77 116.981 116.981 121.316 -4.335 19002 3330 1 8 . 1 1 77 77 SER HA H 77 4.483 4.483 4.453 0.030 19002 3331 1 8 . 1 1 77 77 SER C C 77 174.672 174.672 173.786 0.886 19002 3332 1 8 . 1 1 77 77 SER CA C 77 58.497 58.497 58.296 0.201 19002 3333 1 8 . 1 1 77 77 SER CB C 77 63.839 63.839 62.646 1.193 19002 3334 1 8 . 1 1 77 77 SER H H 77 8.325 8.325 8.595 -0.270 19002 3335 1 8 . 1 1 78 78 ARG N N 78 123.324 123.324 123.736 -0.412 19002 3336 1 8 . 1 1 78 78 ARG HA H 78 4.377 4.377 4.424 -0.047 19002 3337 1 8 . 1 1 78 78 ARG C C 78 176.492 176.492 176.039 0.453 19002 3338 1 8 . 1 1 78 78 ARG CA C 78 56.619 56.619 56.359 0.260 19002 3339 1 8 . 1 1 78 78 ARG CB C 78 30.873 30.873 30.559 0.314 19002 3340 1 8 . 1 1 78 78 ARG H H 78 8.421 8.421 7.779 0.642 19002 3341 1 8 . 1 1 79 79 LYS N N 79 122.352 122.352 118.992 3.360 19002 3342 1 8 . 1 1 79 79 LYS HA H 79 4.266 4.266 4.021 0.245 19002 3343 1 8 . 1 1 79 79 LYS C C 79 176.472 176.472 175.399 1.073 19002 3344 1 8 . 1 1 79 79 LYS CA C 79 57.076 57.076 56.717 0.359 19002 3345 1 8 . 1 1 79 79 LYS CB C 79 33.186 33.186 29.441 3.745 19002 3346 1 8 . 1 1 79 79 LYS H H 79 8.300 8.300 8.780 -0.480 19002 3347 1 8 . 1 1 80 80 ALA N N 80 124.816 124.816 121.858 2.958 19002 3348 1 8 . 1 1 80 80 ALA HA H 80 4.308 4.308 4.527 -0.219 19002 3349 1 8 . 1 1 80 80 ALA C C 80 177.787 177.787 176.349 1.438 19002 3350 1 8 . 1 1 80 80 ALA CA C 80 52.597 52.597 51.338 1.259 19002 3351 1 8 . 1 1 80 80 ALA CB C 80 19.180 19.180 18.741 0.438 19002 3352 1 8 . 1 1 80 80 ALA H H 80 8.269 8.269 7.803 0.466 19002 3353 1 8 . 1 1 81 81 GLU N N 81 120.243 120.243 123.113 -2.870 19002 3354 1 8 . 1 1 81 81 GLU HA H 81 4.278 4.278 4.207 0.071 19002 3355 1 8 . 1 1 81 81 GLU C C 81 176.614 176.614 176.235 0.379 19002 3356 1 8 . 1 1 81 81 GLU CA C 81 56.893 56.893 56.977 -0.084 19002 3357 1 8 . 1 1 81 81 GLU CB C 81 30.374 30.374 29.986 0.388 19002 3358 1 8 . 1 1 81 81 GLU H H 81 8.283 8.283 8.486 -0.203 19002 3359 1 8 . 1 1 82 82 ARG N N 82 121.743 121.743 126.042 -4.299 19002 3360 1 8 . 1 1 82 82 ARG HA H 82 4.378 4.378 4.492 -0.114 19002 3361 1 8 . 1 1 82 82 ARG C C 82 175.946 175.946 175.141 0.805 19002 3362 1 8 . 1 1 82 82 ARG CA C 82 56.047 56.047 56.270 -0.223 19002 3363 1 8 . 1 1 82 82 ARG CB C 82 30.757 30.757 29.948 0.809 19002 3364 1 8 . 1 1 82 82 ARG H H 82 8.256 8.256 8.607 -0.351 19002 3365 1 8 . 1 1 83 83 ALA N N 83 125.049 125.049 127.270 -2.221 19002 3366 1 8 . 1 1 83 83 ALA HA H 83 4.313 4.313 4.321 -0.008 19002 3367 1 8 . 1 1 83 83 ALA C C 83 177.322 177.322 177.699 -0.377 19002 3368 1 8 . 1 1 83 83 ALA CA C 83 52.872 52.872 52.760 0.113 19002 3369 1 8 . 1 1 83 83 ALA CB C 83 19.239 19.239 19.218 0.021 19002 3370 1 8 . 1 1 83 83 ALA H H 83 8.241 8.241 8.403 -0.162 19002 3371 1 8 . 1 1 84 84 LYS N N 84 121.088 121.088 120.683 0.405 19002 3372 1 8 . 1 1 84 84 LYS HA H 84 4.286 4.286 4.592 -0.306 19002 3373 1 8 . 1 1 84 84 LYS C C 84 175.460 175.460 175.713 -0.253 19002 3374 1 8 . 1 1 84 84 LYS CA C 84 56.316 56.316 55.771 0.545 19002 3375 1 8 . 1 1 84 84 LYS CB C 84 32.923 32.923 32.543 0.380 19002 3376 1 8 . 1 1 84 84 LYS H H 84 8.186 8.186 7.941 0.245 19002 3377 1 9 . 1 1 12 12 ARG N N 12 121.400 121.400 122.560 -1.160 19002 3378 1 9 . 1 1 12 12 ARG HA H 12 4.640 4.640 4.803 -0.163 19002 3379 1 9 . 1 1 12 12 ARG C C 12 174.242 174.242 173.642 0.600 19002 3380 1 9 . 1 1 12 12 ARG CA C 12 53.900 53.900 54.426 -0.526 19002 3381 1 9 . 1 1 12 12 ARG CB C 12 30.400 30.400 30.528 -0.128 19002 3382 1 9 . 1 1 12 12 ARG H H 12 8.140 8.140 8.312 -0.172 19002 3383 1 9 . 1 1 13 13 PRO HA H 13 4.457 4.457 4.500 -0.043 19002 3384 1 9 . 1 1 13 13 PRO C C 13 177.524 177.524 176.285 1.239 19002 3385 1 9 . 1 1 13 13 PRO CA C 13 63.259 63.259 63.112 0.147 19002 3386 1 9 . 1 1 13 13 PRO CB C 13 32.067 32.067 30.836 1.231 19002 3387 1 9 . 1 1 14 14 GLY N N 14 109.192 109.192 111.144 -1.952 19002 3388 1 9 . 1 1 14 14 GLY C C 14 174.227 174.227 173.033 1.194 19002 3389 1 9 . 1 1 14 14 GLY CA C 14 45.497 45.497 45.189 0.308 19002 3390 1 9 . 1 1 14 14 GLY H H 14 8.467 8.467 8.138 0.329 19002 3391 1 9 . 1 1 15 15 VAL N N 15 119.157 119.157 121.046 -1.889 19002 3392 1 9 . 1 1 15 15 VAL HA H 15 4.081 4.081 3.978 0.103 19002 3393 1 9 . 1 1 15 15 VAL C C 15 175.986 175.986 175.562 0.424 19002 3394 1 9 . 1 1 15 15 VAL CA C 15 62.529 62.529 63.029 -0.499 19002 3395 1 9 . 1 1 15 15 VAL CB C 15 32.491 32.491 32.536 -0.045 19002 3396 1 9 . 1 1 15 15 VAL H H 15 7.837 7.837 7.634 0.203 19002 3397 1 9 . 1 1 16 16 PHE N N 16 123.110 123.110 125.645 -2.535 19002 3398 1 9 . 1 1 16 16 PHE HA H 16 4.614 4.614 4.164 0.450 19002 3399 1 9 . 1 1 16 16 PHE C C 16 175.804 175.804 173.972 1.832 19002 3400 1 9 . 1 1 16 16 PHE CA C 16 58.398 58.398 58.503 -0.105 19002 3401 1 9 . 1 1 16 16 PHE CB C 16 39.475 39.475 38.782 0.693 19002 3402 1 9 . 1 1 16 16 PHE H H 16 8.265 8.265 8.803 -0.538 19002 3403 1 9 . 1 1 17 17 ARG N N 17 122.074 122.074 120.999 1.075 19002 3404 1 9 . 1 1 17 17 ARG HA H 17 4.323 4.323 4.290 0.033 19002 3405 1 9 . 1 1 17 17 ARG C C 17 176.452 176.452 175.921 0.531 19002 3406 1 9 . 1 1 17 17 ARG CA C 17 56.710 56.710 55.601 1.109 19002 3407 1 9 . 1 1 17 17 ARG CB C 17 30.937 30.937 29.689 1.248 19002 3408 1 9 . 1 1 17 17 ARG H H 17 8.155 8.155 7.747 0.408 19002 3409 1 9 . 1 1 18 18 THR N N 18 114.223 114.223 121.584 -7.361 19002 3410 1 9 . 1 1 18 18 THR HA H 18 4.231 4.231 3.838 0.393 19002 3411 1 9 . 1 1 18 18 THR C C 18 174.348 174.348 175.448 -1.100 19002 3412 1 9 . 1 1 18 18 THR CA C 18 62.410 62.410 64.231 -1.821 19002 3413 1 9 . 1 1 18 18 THR CB C 18 69.509 69.509 69.108 0.401 19002 3414 1 9 . 1 1 18 18 THR H H 18 8.015 8.015 8.274 -0.259 19002 3415 1 9 . 1 1 19 19 ARG N N 19 120.957 120.957 119.275 1.682 19002 3416 1 9 . 1 1 19 19 ARG HA H 19 4.323 4.323 3.966 0.357 19002 3417 1 9 . 1 1 19 19 ARG C C 19 175.986 175.986 175.812 0.174 19002 3418 1 9 . 1 1 19 19 ARG CA C 19 56.093 56.093 58.067 -1.974 19002 3419 1 9 . 1 1 19 19 ARG CB C 19 30.480 30.480 29.175 1.305 19002 3420 1 9 . 1 1 19 19 ARG H H 19 8.080 8.080 8.290 -0.210 19002 3421 1 9 . 1 1 20 20 GLY N N 20 107.963 107.963 105.086 2.877 19002 3422 1 9 . 1 1 20 20 GLY C C 20 173.802 173.802 173.035 0.767 19002 3423 1 9 . 1 1 20 20 GLY CA C 20 45.273 45.273 45.030 0.243 19002 3424 1 9 . 1 1 20 20 GLY H H 20 8.241 8.241 8.315 -0.074 19002 3425 1 9 . 1 1 21 21 LEU N N 21 121.181 121.181 123.233 -2.052 19002 3426 1 9 . 1 1 21 21 LEU HA H 21 4.770 4.770 4.419 0.351 19002 3427 1 9 . 1 1 21 21 LEU C C 21 178.414 178.414 177.209 1.205 19002 3428 1 9 . 1 1 21 21 LEU CA C 21 54.677 54.677 55.399 -0.722 19002 3429 1 9 . 1 1 21 21 LEU CB C 21 43.142 43.142 42.065 1.077 19002 3430 1 9 . 1 1 21 21 LEU H H 21 7.967 7.967 7.640 0.327 19002 3431 1 9 . 1 1 22 22 THR N N 22 114.494 114.494 117.481 -2.987 19002 3432 1 9 . 1 1 22 22 THR HA H 22 4.558 4.558 4.367 0.191 19002 3433 1 9 . 1 1 22 22 THR C C 22 175.359 175.359 175.284 0.075 19002 3434 1 9 . 1 1 22 22 THR CA C 22 61.316 61.316 60.857 0.459 19002 3435 1 9 . 1 1 22 22 THR CB C 22 71.015 71.015 70.304 0.711 19002 3436 1 9 . 1 1 22 22 THR H H 22 9.075 9.075 8.013 1.062 19002 3437 1 9 . 1 1 23 23 ASP N N 23 121.204 121.204 119.927 1.277 19002 3438 1 9 . 1 1 23 23 ASP HA H 23 4.485 4.485 4.347 0.138 19002 3439 1 9 . 1 1 23 23 ASP C C 23 178.697 178.697 178.098 0.599 19002 3440 1 9 . 1 1 23 23 ASP CA C 23 58.315 58.315 57.940 0.375 19002 3441 1 9 . 1 1 23 23 ASP CB C 23 39.931 39.931 40.960 -1.029 19002 3442 1 9 . 1 1 23 23 ASP H H 23 8.943 8.943 8.801 0.142 19002 3443 1 9 . 1 1 24 24 GLU N N 24 119.241 119.241 119.212 0.029 19002 3444 1 9 . 1 1 24 24 GLU HA H 24 4.199 4.199 4.073 0.126 19002 3445 1 9 . 1 1 24 24 GLU C C 24 179.911 179.911 179.059 0.852 19002 3446 1 9 . 1 1 24 24 GLU CA C 24 59.973 59.973 59.465 0.508 19002 3447 1 9 . 1 1 24 24 GLU CB C 24 29.306 29.306 29.499 -0.193 19002 3448 1 9 . 1 1 24 24 GLU H H 24 8.741 8.741 8.193 0.548 19002 3449 1 9 . 1 1 25 25 GLU N N 25 121.151 121.151 120.186 0.965 19002 3450 1 9 . 1 1 25 25 GLU HA H 25 4.200 4.200 4.241 -0.041 19002 3451 1 9 . 1 1 25 25 GLU C C 25 178.394 178.394 179.222 -0.828 19002 3452 1 9 . 1 1 25 25 GLU CA C 25 59.178 59.178 58.947 0.231 19002 3453 1 9 . 1 1 25 25 GLU CB C 25 30.873 30.873 29.544 1.329 19002 3454 1 9 . 1 1 25 25 GLU H H 25 7.801 7.801 7.703 0.098 19002 3455 1 9 . 1 1 26 26 TYR N N 26 120.692 120.692 120.733 -0.041 19002 3456 1 9 . 1 1 26 26 TYR HA H 26 4.184 4.184 4.100 0.084 19002 3457 1 9 . 1 1 26 26 TYR C C 26 177.483 177.483 177.601 -0.118 19002 3458 1 9 . 1 1 26 26 TYR CA C 26 61.924 61.924 61.567 0.357 19002 3459 1 9 . 1 1 26 26 TYR CB C 26 37.837 37.837 38.650 -0.813 19002 3460 1 9 . 1 1 26 26 TYR H H 26 8.897 8.897 8.796 0.101 19002 3461 1 9 . 1 1 27 27 ASP N N 27 118.898 118.898 119.508 -0.610 19002 3462 1 9 . 1 1 27 27 ASP HA H 27 4.338 4.338 4.278 0.060 19002 3463 1 9 . 1 1 27 27 ASP C C 27 178.535 178.535 177.997 0.538 19002 3464 1 9 . 1 1 27 27 ASP CA C 27 57.864 57.864 57.834 0.029 19002 3465 1 9 . 1 1 27 27 ASP CB C 27 40.797 40.797 40.763 0.034 19002 3466 1 9 . 1 1 27 27 ASP H H 27 8.135 8.135 8.293 -0.158 19002 3467 1 9 . 1 1 28 28 GLU N N 28 121.020 121.020 120.540 0.480 19002 3468 1 9 . 1 1 28 28 GLU HA H 28 4.101 4.101 4.070 0.031 19002 3469 1 9 . 1 1 28 28 GLU C C 28 178.394 178.394 178.565 -0.171 19002 3470 1 9 . 1 1 28 28 GLU CA C 28 59.450 59.450 59.035 0.415 19002 3471 1 9 . 1 1 28 28 GLU CB C 28 29.231 29.231 29.441 -0.209 19002 3472 1 9 . 1 1 28 28 GLU H H 28 7.655 7.655 8.319 -0.664 19002 3473 1 9 . 1 1 29 29 PHE N N 29 121.567 121.567 120.816 0.751 19002 3474 1 9 . 1 1 29 29 PHE HA H 29 3.765 3.765 3.896 -0.131 19002 3475 1 9 . 1 1 29 29 PHE C C 29 176.169 176.169 177.048 -0.879 19002 3476 1 9 . 1 1 29 29 PHE CA C 29 61.371 61.371 60.745 0.626 19002 3477 1 9 . 1 1 29 29 PHE CB C 29 37.588 37.588 38.444 -0.856 19002 3478 1 9 . 1 1 29 29 PHE H H 29 8.471 8.471 8.254 0.217 19002 3479 1 9 . 1 1 30 30 LYS N N 30 118.916 118.916 119.363 -0.447 19002 3480 1 9 . 1 1 30 30 LYS HA H 30 3.137 3.137 3.432 -0.295 19002 3481 1 9 . 1 1 30 30 LYS C C 30 179.445 179.445 178.638 0.807 19002 3482 1 9 . 1 1 30 30 LYS CA C 30 60.346 60.346 59.758 0.588 19002 3483 1 9 . 1 1 30 30 LYS CB C 30 31.992 31.992 31.899 0.093 19002 3484 1 9 . 1 1 30 30 LYS H H 30 8.287 8.287 8.273 0.014 19002 3485 1 9 . 1 1 31 31 LYS N N 31 120.113 120.113 119.680 0.433 19002 3486 1 9 . 1 1 31 31 LYS HA H 31 4.018 4.018 3.871 0.147 19002 3487 1 9 . 1 1 31 31 LYS C C 31 179.918 179.918 179.011 0.907 19002 3488 1 9 . 1 1 31 31 LYS CA C 31 59.700 59.700 59.589 0.111 19002 3489 1 9 . 1 1 31 31 LYS CB C 31 32.300 32.300 32.323 -0.023 19002 3490 1 9 . 1 1 31 31 LYS H H 31 7.690 7.690 8.313 -0.623 19002 3491 1 9 . 1 1 32 32 ARG N N 32 121.200 121.200 117.638 3.562 19002 3492 1 9 . 1 1 32 32 ARG HA H 32 3.893 3.893 3.871 0.022 19002 3493 1 9 . 1 1 32 32 ARG C C 32 178.990 178.990 178.789 0.201 19002 3494 1 9 . 1 1 32 32 ARG CA C 32 59.452 59.452 59.297 0.155 19002 3495 1 9 . 1 1 32 32 ARG CB C 32 31.284 31.284 30.189 1.095 19002 3496 1 9 . 1 1 32 32 ARG H H 32 8.299 8.299 8.281 0.018 19002 3497 1 9 . 1 1 33 33 ARG N N 33 120.223 120.223 120.484 -0.261 19002 3498 1 9 . 1 1 33 33 ARG HA H 33 3.698 3.698 3.974 -0.276 19002 3499 1 9 . 1 1 33 33 ARG C C 33 178.697 178.697 177.763 0.934 19002 3500 1 9 . 1 1 33 33 ARG CA C 33 59.607 59.607 59.145 0.462 19002 3501 1 9 . 1 1 33 33 ARG CB C 33 29.570 29.570 29.810 -0.240 19002 3502 1 9 . 1 1 33 33 ARG H H 33 8.704 8.704 8.354 0.350 19002 3503 1 9 . 1 1 34 34 GLU N N 34 119.860 119.860 119.318 0.542 19002 3504 1 9 . 1 1 34 34 GLU HA H 34 4.046 4.046 3.973 0.073 19002 3505 1 9 . 1 1 34 34 GLU C C 34 179.850 179.850 179.134 0.716 19002 3506 1 9 . 1 1 34 34 GLU CA C 34 59.210 59.210 59.485 -0.275 19002 3507 1 9 . 1 1 34 34 GLU CB C 34 29.380 29.380 29.208 0.172 19002 3508 1 9 . 1 1 34 34 GLU H H 34 7.941 7.941 8.475 -0.534 19002 3509 1 9 . 1 1 35 35 SER N N 35 115.261 115.261 115.532 -0.271 19002 3510 1 9 . 1 1 35 35 SER HA H 35 4.378 4.378 4.210 0.168 19002 3511 1 9 . 1 1 35 35 SER C C 35 175.339 175.339 175.688 -0.349 19002 3512 1 9 . 1 1 35 35 SER CA C 35 60.068 60.068 60.678 -0.610 19002 3513 1 9 . 1 1 35 35 SER CB C 35 63.321 63.321 63.132 0.189 19002 3514 1 9 . 1 1 35 35 SER H H 35 7.813 7.813 7.619 0.194 19002 3515 1 9 . 1 1 36 36 ARG N N 36 119.557 119.557 119.620 -0.063 19002 3516 1 9 . 1 1 36 36 ARG HA H 36 4.439 4.439 4.404 0.035 19002 3517 1 9 . 1 1 36 36 ARG C C 36 177.524 177.524 175.821 1.703 19002 3518 1 9 . 1 1 36 36 ARG CA C 36 55.794 55.794 54.993 0.801 19002 3519 1 9 . 1 1 36 36 ARG CB C 36 30.276 30.276 29.871 0.405 19002 3520 1 9 . 1 1 36 36 ARG H H 36 7.459 7.459 7.160 0.299 19002 3521 1 9 . 1 1 37 37 GLY N N 37 109.722 109.722 106.795 2.927 19002 3522 1 9 . 1 1 37 37 GLY C C 37 175.117 175.117 175.337 -0.220 19002 3523 1 9 . 1 1 37 37 GLY CA C 37 46.691 46.691 45.545 1.145 19002 3524 1 9 . 1 1 37 37 GLY H H 37 7.981 7.981 7.894 0.087 19002 3525 1 9 . 1 1 38 38 GLY N N 38 104.904 104.904 106.077 -1.173 19002 3526 1 9 . 1 1 38 38 GLY C C 38 174.489 174.489 174.702 -0.213 19002 3527 1 9 . 1 1 38 38 GLY CA C 38 45.012 45.012 44.954 0.058 19002 3528 1 9 . 1 1 38 38 GLY H H 38 8.271 8.271 8.706 -0.435 19002 3529 1 9 . 1 1 39 39 LYS N N 39 122.169 122.169 123.538 -1.369 19002 3530 1 9 . 1 1 39 39 LYS HA H 39 4.515 4.515 4.517 -0.002 19002 3531 1 9 . 1 1 39 39 LYS C C 39 174.995 174.995 174.988 0.007 19002 3532 1 9 . 1 1 39 39 LYS CA C 39 55.622 55.622 55.751 -0.129 19002 3533 1 9 . 1 1 39 39 LYS CB C 39 30.846 30.846 31.996 -1.150 19002 3534 1 9 . 1 1 39 39 LYS H H 39 7.471 7.471 7.542 -0.071 19002 3535 1 9 . 1 1 40 40 TYR N N 40 123.749 123.749 123.389 0.360 19002 3536 1 9 . 1 1 40 40 TYR HA H 40 4.893 4.893 4.696 0.197 19002 3537 1 9 . 1 1 40 40 TYR C C 40 173.883 173.883 173.594 0.289 19002 3538 1 9 . 1 1 40 40 TYR CA C 40 58.629 58.629 57.010 1.619 19002 3539 1 9 . 1 1 40 40 TYR CB C 40 40.871 40.871 40.432 0.439 19002 3540 1 9 . 1 1 40 40 TYR H H 40 7.687 7.687 7.738 -0.051 19002 3541 1 9 . 1 1 41 41 SER N N 41 124.561 124.561 121.008 3.553 19002 3542 1 9 . 1 1 41 41 SER HA H 41 5.061 5.061 4.630 0.431 19002 3543 1 9 . 1 1 41 41 SER C C 41 175.258 175.258 175.043 0.215 19002 3544 1 9 . 1 1 41 41 SER CA C 41 56.913 56.913 57.520 -0.607 19002 3545 1 9 . 1 1 41 41 SER CB C 41 67.136 67.136 64.491 2.645 19002 3546 1 9 . 1 1 41 41 SER H H 41 9.246 9.246 8.027 1.219 19002 3547 1 9 . 1 1 42 42 ILE N N 42 122.298 122.298 121.947 0.351 19002 3548 1 9 . 1 1 42 42 ILE HA H 42 3.384 3.384 3.158 0.226 19002 3549 1 9 . 1 1 42 42 ILE C C 42 176.573 176.573 176.181 0.392 19002 3550 1 9 . 1 1 42 42 ILE CA C 42 63.317 63.317 63.605 -0.288 19002 3551 1 9 . 1 1 42 42 ILE CB C 42 37.290 37.290 37.275 0.015 19002 3552 1 9 . 1 1 42 42 ILE H H 42 8.848 8.848 8.618 0.230 19002 3553 1 9 . 1 1 43 43 ASP N N 43 118.987 118.987 117.893 1.094 19002 3554 1 9 . 1 1 43 43 ASP HA H 43 4.317 4.317 4.219 0.098 19002 3555 1 9 . 1 1 43 43 ASP C C 43 178.940 178.940 178.146 0.794 19002 3556 1 9 . 1 1 43 43 ASP CA C 43 57.809 57.809 57.276 0.533 19002 3557 1 9 . 1 1 43 43 ASP CB C 43 40.722 40.722 39.259 1.463 19002 3558 1 9 . 1 1 43 43 ASP H H 43 7.673 7.673 8.582 -0.909 19002 3559 1 9 . 1 1 44 44 ASP N N 44 121.961 121.961 120.095 1.866 19002 3560 1 9 . 1 1 44 44 ASP HA H 44 4.259 4.259 4.343 -0.084 19002 3561 1 9 . 1 1 44 44 ASP C C 44 177.564 177.564 177.930 -0.366 19002 3562 1 9 . 1 1 44 44 ASP CA C 44 57.624 57.624 56.602 1.022 19002 3563 1 9 . 1 1 44 44 ASP CB C 44 41.244 41.244 40.251 0.993 19002 3564 1 9 . 1 1 44 44 ASP H H 44 7.610 7.610 8.238 -0.628 19002 3565 1 9 . 1 1 45 45 TYR N N 45 121.352 121.352 121.449 -0.097 19002 3566 1 9 . 1 1 45 45 TYR HA H 45 4.676 4.676 4.429 0.246 19002 3567 1 9 . 1 1 45 45 TYR C C 45 177.362 177.362 178.044 -0.682 19002 3568 1 9 . 1 1 45 45 TYR CA C 45 60.703 60.703 61.190 -0.487 19002 3569 1 9 . 1 1 45 45 TYR CB C 45 38.747 38.747 38.681 0.066 19002 3570 1 9 . 1 1 45 45 TYR H H 45 7.750 7.750 7.236 0.514 19002 3571 1 9 . 1 1 46 46 LEU N N 46 118.650 118.650 118.818 -0.168 19002 3572 1 9 . 1 1 46 46 LEU HA H 46 3.697 3.697 3.690 0.007 19002 3573 1 9 . 1 1 46 46 LEU C C 46 179.850 179.850 178.867 0.983 19002 3574 1 9 . 1 1 46 46 LEU CA C 46 57.807 57.807 57.707 0.100 19002 3575 1 9 . 1 1 46 46 LEU CB C 46 41.205 41.205 41.364 -0.159 19002 3576 1 9 . 1 1 46 46 LEU H H 46 8.544 8.544 8.941 -0.397 19002 3577 1 9 . 1 1 47 47 ALA N N 47 121.991 121.991 121.443 0.548 19002 3578 1 9 . 1 1 47 47 ALA HA H 47 4.190 4.190 3.938 0.252 19002 3579 1 9 . 1 1 47 47 ALA C C 47 180.457 180.457 178.770 1.687 19002 3580 1 9 . 1 1 47 47 ALA CA C 47 55.048 55.048 55.322 -0.274 19002 3581 1 9 . 1 1 47 47 ALA CB C 47 18.337 18.337 18.018 0.319 19002 3582 1 9 . 1 1 47 47 ALA H H 47 7.716 7.716 7.966 -0.250 19002 3583 1 9 . 1 1 48 48 ASP N N 48 120.788 120.788 118.013 2.775 19002 3584 1 9 . 1 1 48 48 ASP HA H 48 4.505 4.505 4.437 0.068 19002 3585 1 9 . 1 1 48 48 ASP C C 48 178.596 178.596 178.075 0.521 19002 3586 1 9 . 1 1 48 48 ASP CA C 48 57.361 57.361 56.269 1.092 19002 3587 1 9 . 1 1 48 48 ASP CB C 48 40.076 40.076 41.027 -0.951 19002 3588 1 9 . 1 1 48 48 ASP H H 48 8.316 8.316 7.446 0.870 19002 3589 1 9 . 1 1 49 49 ARG N N 49 120.274 120.274 120.279 -0.005 19002 3590 1 9 . 1 1 49 49 ARG HA H 49 3.952 3.952 4.005 -0.053 19002 3591 1 9 . 1 1 49 49 ARG C C 49 178.454 178.454 178.390 0.064 19002 3592 1 9 . 1 1 49 49 ARG CA C 49 58.133 58.133 58.581 -0.448 19002 3593 1 9 . 1 1 49 49 ARG CB C 49 29.231 29.231 29.924 -0.693 19002 3594 1 9 . 1 1 49 49 ARG H H 49 8.459 8.459 8.100 0.359 19002 3595 1 9 . 1 1 50 50 GLU N N 50 118.834 118.834 115.741 3.093 19002 3596 1 9 . 1 1 50 50 GLU HA H 50 4.101 4.101 4.104 -0.003 19002 3597 1 9 . 1 1 50 50 GLU C C 50 178.353 178.353 177.883 0.470 19002 3598 1 9 . 1 1 50 50 GLU CA C 50 58.928 58.928 58.293 0.635 19002 3599 1 9 . 1 1 50 50 GLU CB C 50 29.530 29.530 29.213 0.317 19002 3600 1 9 . 1 1 50 50 GLU H H 50 7.734 7.734 7.854 -0.120 19002 3601 1 9 . 1 1 51 51 ARG N N 51 119.239 119.239 117.279 1.960 19002 3602 1 9 . 1 1 51 51 ARG HA H 51 4.240 4.240 4.343 -0.103 19002 3603 1 9 . 1 1 51 51 ARG C C 51 178.370 178.370 178.226 0.144 19002 3604 1 9 . 1 1 51 51 ARG CA C 51 58.105 58.105 57.730 0.376 19002 3605 1 9 . 1 1 51 51 ARG CB C 51 30.649 30.649 31.021 -0.372 19002 3606 1 9 . 1 1 51 51 ARG H H 51 7.694 7.694 7.623 0.071 19002 3607 1 9 . 1 1 52 52 GLU N N 52 119.667 119.667 120.241 -0.574 19002 3608 1 9 . 1 1 52 52 GLU HA H 52 4.099 4.099 3.983 0.116 19002 3609 1 9 . 1 1 52 52 GLU C C 52 178.370 178.370 178.406 -0.036 19002 3610 1 9 . 1 1 52 52 GLU CA C 52 58.538 58.538 59.380 -0.842 19002 3611 1 9 . 1 1 52 52 GLU CB C 52 29.661 29.661 28.900 0.761 19002 3612 1 9 . 1 1 52 52 GLU H H 52 8.299 8.299 8.185 0.114 19002 3613 1 9 . 1 1 53 53 GLU N N 53 119.152 119.152 118.563 0.589 19002 3614 1 9 . 1 1 53 53 GLU HA H 53 4.210 4.210 3.986 0.224 19002 3615 1 9 . 1 1 53 53 GLU C C 53 177.740 177.740 178.802 -1.062 19002 3616 1 9 . 1 1 53 53 GLU CA C 53 58.172 58.172 59.242 -1.070 19002 3617 1 9 . 1 1 53 53 GLU CB C 53 29.530 29.530 29.410 0.120 19002 3618 1 9 . 1 1 53 53 GLU H H 53 8.098 8.098 8.231 -0.133 19002 3619 1 9 . 1 1 54 54 GLU N N 54 120.097 120.097 117.014 3.083 19002 3620 1 9 . 1 1 54 54 GLU HA H 54 4.212 4.212 4.299 -0.087 19002 3621 1 9 . 1 1 54 54 GLU C C 54 177.443 177.443 177.985 -0.542 19002 3622 1 9 . 1 1 54 54 GLU CA C 54 58.081 58.081 58.010 0.071 19002 3623 1 9 . 1 1 54 54 GLU CB C 54 29.788 29.788 29.646 0.142 19002 3624 1 9 . 1 1 54 54 GLU H H 54 7.968 7.968 7.915 0.053 19002 3625 1 9 . 1 1 55 55 LEU N N 55 120.563 120.563 119.019 1.544 19002 3626 1 9 . 1 1 55 55 LEU HA H 55 4.288 4.288 4.225 0.063 19002 3627 1 9 . 1 1 55 55 LEU C C 55 177.735 177.735 178.355 -0.620 19002 3628 1 9 . 1 1 55 55 LEU CA C 55 56.070 56.070 56.020 0.050 19002 3629 1 9 . 1 1 55 55 LEU CB C 55 42.062 42.062 42.296 -0.234 19002 3630 1 9 . 1 1 55 55 LEU H H 55 7.905 7.905 7.374 0.531 19002 3631 1 9 . 1 1 56 56 LEU N N 56 121.250 121.250 119.272 1.978 19002 3632 1 9 . 1 1 56 56 LEU HA H 56 4.312 4.312 4.163 0.149 19002 3633 1 9 . 1 1 56 56 LEU C C 56 177.726 177.726 177.472 0.254 19002 3634 1 9 . 1 1 56 56 LEU CA C 56 55.979 55.979 56.634 -0.655 19002 3635 1 9 . 1 1 56 56 LEU CB C 56 42.635 42.635 42.540 0.095 19002 3636 1 9 . 1 1 56 56 LEU H H 56 7.859 7.859 7.860 -0.001 19002 3637 1 9 . 1 1 57 57 GLU N N 57 120.632 120.632 114.379 6.253 19002 3638 1 9 . 1 1 57 57 GLU HA H 57 4.283 4.283 4.639 -0.356 19002 3639 1 9 . 1 1 57 57 GLU C C 57 176.553 176.553 174.602 1.951 19002 3640 1 9 . 1 1 57 57 GLU CA C 57 57.076 57.076 55.493 1.583 19002 3641 1 9 . 1 1 57 57 GLU CB C 57 30.052 30.052 32.377 -2.325 19002 3642 1 9 . 1 1 57 57 GLU H H 57 8.153 8.153 8.209 -0.056 19002 3643 1 9 . 1 1 58 58 ARG N N 58 121.282 121.282 123.928 -2.646 19002 3644 1 9 . 1 1 58 58 ARG HA H 58 4.372 4.372 4.619 -0.247 19002 3645 1 9 . 1 1 58 58 ARG C C 58 176.169 176.169 176.067 0.102 19002 3646 1 9 . 1 1 58 58 ARG CA C 58 56.344 56.344 55.456 0.888 19002 3647 1 9 . 1 1 58 58 ARG CB C 58 31.102 31.102 31.824 -0.722 19002 3648 1 9 . 1 1 58 58 ARG H H 58 8.146 8.146 8.802 -0.656 19002 3649 1 9 . 1 1 59 59 ASP N N 59 121.619 121.619 126.356 -4.737 19002 3650 1 9 . 1 1 59 59 ASP HA H 59 4.639 4.639 4.675 -0.036 19002 3651 1 9 . 1 1 59 59 ASP C C 59 176.553 176.553 176.135 0.418 19002 3652 1 9 . 1 1 59 59 ASP CA C 59 54.768 54.768 55.905 -1.137 19002 3653 1 9 . 1 1 59 59 ASP CB C 59 41.256 41.256 40.745 0.511 19002 3654 1 9 . 1 1 59 59 ASP H H 59 8.386 8.386 8.974 -0.588 19002 3655 1 9 . 1 1 60 60 GLU N N 60 121.214 121.214 118.180 3.034 19002 3656 1 9 . 1 1 60 60 GLU HA H 60 4.273 4.273 4.210 0.063 19002 3657 1 9 . 1 1 60 60 GLU C C 60 176.876 176.876 176.846 0.030 19002 3658 1 9 . 1 1 60 60 GLU CA C 60 57.361 57.361 56.723 0.638 19002 3659 1 9 . 1 1 60 60 GLU CB C 60 30.425 30.425 29.461 0.964 19002 3660 1 9 . 1 1 60 60 GLU H H 60 8.372 8.372 8.099 0.273 19002 3661 1 9 . 1 1 61 61 GLU N N 61 121.077 121.077 120.296 0.781 19002 3662 1 9 . 1 1 61 61 GLU HA H 61 4.210 4.210 4.216 -0.006 19002 3663 1 9 . 1 1 61 61 GLU C C 61 176.832 176.832 176.999 -0.167 19002 3664 1 9 . 1 1 61 61 GLU CA C 61 57.734 57.734 58.515 -0.781 19002 3665 1 9 . 1 1 61 61 GLU CB C 61 30.425 30.425 30.254 0.171 19002 3666 1 9 . 1 1 61 61 GLU H H 61 8.384 8.384 8.133 0.251 19002 3667 1 9 . 1 1 62 62 GLU N N 62 121.155 121.155 115.967 5.188 19002 3668 1 9 . 1 1 62 62 GLU HA H 62 4.249 4.249 4.630 -0.381 19002 3669 1 9 . 1 1 62 62 GLU C C 62 176.432 176.432 175.378 1.054 19002 3670 1 9 . 1 1 62 62 GLU CA C 62 57.137 57.137 57.128 0.009 19002 3671 1 9 . 1 1 62 62 GLU CB C 62 30.425 30.425 30.521 -0.096 19002 3672 1 9 . 1 1 62 62 GLU H H 62 8.300 8.300 8.476 -0.176 19002 3673 1 9 . 1 1 63 63 ALA N N 63 124.607 124.607 121.071 3.536 19002 3674 1 9 . 1 1 63 63 ALA HA H 63 4.293 4.293 4.401 -0.108 19002 3675 1 9 . 1 1 63 63 ALA C C 63 177.483 177.483 177.452 0.031 19002 3676 1 9 . 1 1 63 63 ALA CA C 63 52.915 52.915 51.589 1.326 19002 3677 1 9 . 1 1 63 63 ALA CB C 63 19.070 19.070 20.555 -1.485 19002 3678 1 9 . 1 1 63 63 ALA H H 63 8.178 8.178 8.084 0.094 19002 3679 1 9 . 1 1 64 64 ILE N N 64 118.941 118.941 115.564 3.377 19002 3680 1 9 . 1 1 64 64 ILE HA H 64 4.076 4.076 3.639 0.437 19002 3681 1 9 . 1 1 64 64 ILE C C 64 176.047 176.047 176.405 -0.358 19002 3682 1 9 . 1 1 64 64 ILE CA C 64 61.342 61.342 64.403 -3.061 19002 3683 1 9 . 1 1 64 64 ILE CB C 64 38.700 38.700 37.241 1.459 19002 3684 1 9 . 1 1 64 64 ILE H H 64 7.872 7.872 8.575 -0.703 19002 3685 1 9 . 1 1 65 65 PHE N N 65 122.809 122.809 119.424 3.385 19002 3686 1 9 . 1 1 65 65 PHE HA H 65 4.615 4.615 4.468 0.147 19002 3687 1 9 . 1 1 65 65 PHE C C 65 176.270 176.270 176.957 -0.687 19002 3688 1 9 . 1 1 65 65 PHE CA C 65 57.807 57.807 59.304 -1.497 19002 3689 1 9 . 1 1 65 65 PHE CB C 65 39.827 39.827 38.749 1.078 19002 3690 1 9 . 1 1 65 65 PHE H H 65 8.188 8.188 7.985 0.203 19002 3691 1 9 . 1 1 66 66 GLY N N 66 110.278 110.278 108.205 2.073 19002 3692 1 9 . 1 1 66 66 GLY C C 66 173.802 173.802 173.867 -0.065 19002 3693 1 9 . 1 1 66 66 GLY CA C 66 45.391 45.391 45.727 -0.336 19002 3694 1 9 . 1 1 66 66 GLY H H 66 8.213 8.213 7.442 0.771 19002 3695 1 9 . 1 1 67 67 ASP N N 67 120.510 120.510 119.674 0.836 19002 3696 1 9 . 1 1 67 67 ASP HA H 67 4.599 4.599 4.562 0.037 19002 3697 1 9 . 1 1 67 67 ASP C C 67 176.897 176.897 175.876 1.021 19002 3698 1 9 . 1 1 67 67 ASP CA C 67 54.425 54.425 54.306 0.119 19002 3699 1 9 . 1 1 67 67 ASP CB C 67 41.265 41.265 41.455 -0.190 19002 3700 1 9 . 1 1 67 67 ASP H H 67 8.254 8.254 8.225 0.029 19002 3701 1 9 . 1 1 68 68 GLY N N 68 108.789 108.789 107.437 1.352 19002 3702 1 9 . 1 1 68 68 GLY C C 68 174.307 174.307 173.669 0.638 19002 3703 1 9 . 1 1 68 68 GLY CA C 68 46.020 46.020 44.542 1.478 19002 3704 1 9 . 1 1 68 68 GLY H H 68 8.342 8.342 7.712 0.630 19002 3705 1 9 . 1 1 69 69 PHE N N 69 119.903 119.903 116.142 3.761 19002 3706 1 9 . 1 1 69 69 PHE HA H 69 4.599 4.599 4.364 0.235 19002 3707 1 9 . 1 1 69 69 PHE C C 69 176.432 176.432 175.943 0.489 19002 3708 1 9 . 1 1 69 69 PHE CA C 69 58.146 58.146 55.544 2.602 19002 3709 1 9 . 1 1 69 69 PHE CB C 69 39.339 39.339 39.783 -0.444 19002 3710 1 9 . 1 1 69 69 PHE H H 69 8.178 8.178 8.028 0.150 19002 3711 1 9 . 1 1 70 70 GLY N N 70 110.089 110.089 107.620 2.469 19002 3712 1 9 . 1 1 70 70 GLY C C 70 174.227 174.227 173.006 1.221 19002 3713 1 9 . 1 1 70 70 GLY CA C 70 45.628 45.628 45.230 0.398 19002 3714 1 9 . 1 1 70 70 GLY H H 70 8.382 8.382 9.600 -1.218 19002 3715 1 9 . 1 1 71 71 LEU N N 71 121.600 121.600 118.600 3.000 19002 3716 1 9 . 1 1 71 71 LEU HA H 71 4.290 4.290 4.643 -0.353 19002 3717 1 9 . 1 1 71 71 LEU C C 71 177.645 177.645 177.647 -0.002 19002 3718 1 9 . 1 1 71 71 LEU CA C 71 55.500 55.500 55.379 0.121 19002 3719 1 9 . 1 1 71 71 LEU CB C 71 42.400 42.400 44.210 -1.810 19002 3720 1 9 . 1 1 71 71 LEU H H 71 8.069 8.069 9.115 -1.046 19002 3721 1 9 . 1 1 72 72 LYS N N 72 121.214 121.214 117.539 3.675 19002 3722 1 9 . 1 1 72 72 LYS HA H 72 4.283 4.283 4.357 -0.074 19002 3723 1 9 . 1 1 72 72 LYS C C 72 176.553 176.553 176.353 0.200 19002 3724 1 9 . 1 1 72 72 LYS CA C 72 56.594 56.594 56.945 -0.351 19002 3725 1 9 . 1 1 72 72 LYS CB C 72 32.765 32.765 33.929 -1.164 19002 3726 1 9 . 1 1 72 72 LYS H H 72 8.372 8.372 8.966 -0.594 19002 3727 1 9 . 1 1 73 73 ALA N N 73 124.187 124.187 122.869 1.318 19002 3728 1 9 . 1 1 73 73 ALA HA H 73 4.347 4.347 4.396 -0.049 19002 3729 1 9 . 1 1 73 73 ALA C C 73 178.009 178.009 176.657 1.352 19002 3730 1 9 . 1 1 73 73 ALA CA C 73 52.597 52.597 52.055 0.542 19002 3731 1 9 . 1 1 73 73 ALA CB C 73 19.239 19.239 18.047 1.192 19002 3732 1 9 . 1 1 73 73 ALA H H 73 8.188 8.188 8.215 -0.027 19002 3733 1 9 . 1 1 74 74 THR N N 74 112.973 112.973 110.931 2.042 19002 3734 1 9 . 1 1 74 74 THR HA H 74 4.339 4.339 4.553 -0.214 19002 3735 1 9 . 1 1 74 74 THR C C 74 174.753 174.753 174.213 0.540 19002 3736 1 9 . 1 1 74 74 THR CA C 74 62.046 62.046 60.831 1.215 19002 3737 1 9 . 1 1 74 74 THR CB C 74 69.779 69.779 71.331 -1.552 19002 3738 1 9 . 1 1 74 74 THR H H 74 8.054 8.054 7.152 0.901 19002 3739 1 9 . 1 1 75 75 ARG N N 75 123.112 123.112 118.065 5.047 19002 3740 1 9 . 1 1 75 75 ARG HA H 75 4.371 4.371 3.983 0.388 19002 3741 1 9 . 1 1 75 75 ARG C C 75 176.411 176.411 174.787 1.624 19002 3742 1 9 . 1 1 75 75 ARG CA C 75 56.801 56.801 57.188 -0.387 19002 3743 1 9 . 1 1 75 75 ARG CB C 75 30.798 30.798 28.355 2.443 19002 3744 1 9 . 1 1 75 75 ARG H H 75 8.296 8.296 8.842 -0.546 19002 3745 1 9 . 1 1 76 76 ARG N N 76 121.977 121.977 119.752 2.225 19002 3746 1 9 . 1 1 76 76 ARG HA H 76 4.362 4.362 4.576 -0.214 19002 3747 1 9 . 1 1 76 76 ARG C C 76 176.411 176.411 176.476 -0.065 19002 3748 1 9 . 1 1 76 76 ARG CA C 76 56.689 56.689 55.162 1.527 19002 3749 1 9 . 1 1 76 76 ARG CB C 76 30.873 30.873 31.842 -0.969 19002 3750 1 9 . 1 1 76 76 ARG H H 76 8.360 8.360 7.856 0.504 19002 3751 1 9 . 1 1 77 77 SER N N 77 116.981 116.981 122.266 -5.285 19002 3752 1 9 . 1 1 77 77 SER HA H 77 4.483 4.483 4.568 -0.085 19002 3753 1 9 . 1 1 77 77 SER C C 77 174.672 174.672 175.129 -0.457 19002 3754 1 9 . 1 1 77 77 SER CA C 77 58.497 58.497 57.879 0.618 19002 3755 1 9 . 1 1 77 77 SER CB C 77 63.839 63.839 61.724 2.115 19002 3756 1 9 . 1 1 77 77 SER H H 77 8.325 8.325 8.993 -0.668 19002 3757 1 9 . 1 1 78 78 ARG N N 78 123.324 123.324 122.064 1.260 19002 3758 1 9 . 1 1 78 78 ARG HA H 78 4.377 4.377 4.196 0.181 19002 3759 1 9 . 1 1 78 78 ARG C C 78 176.492 176.492 177.318 -0.826 19002 3760 1 9 . 1 1 78 78 ARG CA C 78 56.619 56.619 58.553 -1.934 19002 3761 1 9 . 1 1 78 78 ARG CB C 78 30.873 30.873 30.112 0.761 19002 3762 1 9 . 1 1 78 78 ARG H H 78 8.421 8.421 8.273 0.148 19002 3763 1 9 . 1 1 79 79 LYS N N 79 122.352 122.352 118.433 3.919 19002 3764 1 9 . 1 1 79 79 LYS HA H 79 4.266 4.266 4.332 -0.066 19002 3765 1 9 . 1 1 79 79 LYS C C 79 176.472 176.472 176.461 0.011 19002 3766 1 9 . 1 1 79 79 LYS CA C 79 57.076 57.076 57.503 -0.427 19002 3767 1 9 . 1 1 79 79 LYS CB C 79 33.186 33.186 31.780 1.405 19002 3768 1 9 . 1 1 79 79 LYS H H 79 8.300 8.300 8.454 -0.154 19002 3769 1 9 . 1 1 80 80 ALA N N 80 124.816 124.816 120.585 4.231 19002 3770 1 9 . 1 1 80 80 ALA HA H 80 4.308 4.308 4.547 -0.239 19002 3771 1 9 . 1 1 80 80 ALA C C 80 177.787 177.787 177.285 0.502 19002 3772 1 9 . 1 1 80 80 ALA CA C 80 52.597 52.597 51.978 0.619 19002 3773 1 9 . 1 1 80 80 ALA CB C 80 19.180 19.180 18.967 0.213 19002 3774 1 9 . 1 1 80 80 ALA H H 80 8.269 8.269 7.481 0.788 19002 3775 1 9 . 1 1 81 81 GLU N N 81 120.243 120.243 118.564 1.679 19002 3776 1 9 . 1 1 81 81 GLU HA H 81 4.278 4.278 4.436 -0.158 19002 3777 1 9 . 1 1 81 81 GLU C C 81 176.614 176.614 175.633 0.981 19002 3778 1 9 . 1 1 81 81 GLU CA C 81 56.893 56.893 55.986 0.907 19002 3779 1 9 . 1 1 81 81 GLU CB C 81 30.374 30.374 29.630 0.744 19002 3780 1 9 . 1 1 81 81 GLU H H 81 8.283 8.283 7.677 0.606 19002 3781 1 9 . 1 1 82 82 ARG N N 82 121.743 121.743 120.586 1.157 19002 3782 1 9 . 1 1 82 82 ARG HA H 82 4.378 4.378 4.582 -0.204 19002 3783 1 9 . 1 1 82 82 ARG C C 82 175.946 175.946 175.456 0.490 19002 3784 1 9 . 1 1 82 82 ARG CA C 82 56.047 56.047 55.119 0.928 19002 3785 1 9 . 1 1 82 82 ARG CB C 82 30.757 30.757 30.193 0.564 19002 3786 1 9 . 1 1 82 82 ARG H H 82 8.256 8.256 7.962 0.294 19002 3787 1 9 . 1 1 83 83 ALA N N 83 125.049 125.049 127.672 -2.623 19002 3788 1 9 . 1 1 83 83 ALA HA H 83 4.313 4.313 4.301 0.012 19002 3789 1 9 . 1 1 83 83 ALA C C 83 177.322 177.322 177.214 0.108 19002 3790 1 9 . 1 1 83 83 ALA CA C 83 52.872 52.872 52.815 0.057 19002 3791 1 9 . 1 1 83 83 ALA CB C 83 19.239 19.239 17.689 1.550 19002 3792 1 9 . 1 1 83 83 ALA H H 83 8.241 8.241 8.884 -0.643 19002 3793 1 9 . 1 1 84 84 LYS N N 84 121.088 121.088 119.817 1.271 19002 3794 1 9 . 1 1 84 84 LYS HA H 84 4.286 4.286 4.321 -0.035 19002 3795 1 9 . 1 1 84 84 LYS C C 84 175.460 175.460 175.662 -0.202 19002 3796 1 9 . 1 1 84 84 LYS CA C 84 56.316 56.316 56.779 -0.462 19002 3797 1 9 . 1 1 84 84 LYS CB C 84 32.923 32.923 33.480 -0.557 19002 3798 1 9 . 1 1 84 84 LYS H H 84 8.186 8.186 8.525 -0.339 19002 3799 1 10 . 1 1 12 12 ARG N N 12 121.400 121.400 124.013 -2.613 19002 3800 1 10 . 1 1 12 12 ARG HA H 12 4.640 4.640 4.760 -0.120 19002 3801 1 10 . 1 1 12 12 ARG C C 12 174.242 174.242 173.729 0.513 19002 3802 1 10 . 1 1 12 12 ARG CA C 12 53.900 53.900 55.126 -1.226 19002 3803 1 10 . 1 1 12 12 ARG CB C 12 30.400 30.400 32.175 -1.775 19002 3804 1 10 . 1 1 12 12 ARG H H 12 8.140 8.140 8.234 -0.094 19002 3805 1 10 . 1 1 13 13 PRO HA H 13 4.457 4.457 4.724 -0.267 19002 3806 1 10 . 1 1 13 13 PRO C C 13 177.524 177.524 175.925 1.599 19002 3807 1 10 . 1 1 13 13 PRO CA C 13 63.259 63.259 62.903 0.356 19002 3808 1 10 . 1 1 13 13 PRO CB C 13 32.067 32.067 30.828 1.239 19002 3809 1 10 . 1 1 14 14 GLY N N 14 109.192 109.192 110.024 -0.832 19002 3810 1 10 . 1 1 14 14 GLY C C 14 174.227 174.227 175.338 -1.111 19002 3811 1 10 . 1 1 14 14 GLY CA C 14 45.497 45.497 45.599 -0.102 19002 3812 1 10 . 1 1 14 14 GLY H H 14 8.467 8.467 8.343 0.124 19002 3813 1 10 . 1 1 15 15 VAL N N 15 119.157 119.157 120.677 -1.520 19002 3814 1 10 . 1 1 15 15 VAL HA H 15 4.081 4.081 3.863 0.218 19002 3815 1 10 . 1 1 15 15 VAL C C 15 175.986 175.986 175.557 0.429 19002 3816 1 10 . 1 1 15 15 VAL CA C 15 62.529 62.529 64.326 -1.797 19002 3817 1 10 . 1 1 15 15 VAL CB C 15 32.491 32.491 32.224 0.267 19002 3818 1 10 . 1 1 15 15 VAL H H 15 7.837 7.837 7.942 -0.105 19002 3819 1 10 . 1 1 16 16 PHE N N 16 123.110 123.110 118.690 4.420 19002 3820 1 10 . 1 1 16 16 PHE HA H 16 4.614 4.614 4.682 -0.068 19002 3821 1 10 . 1 1 16 16 PHE C C 16 175.804 175.804 174.150 1.654 19002 3822 1 10 . 1 1 16 16 PHE CA C 16 58.398 58.398 57.231 1.167 19002 3823 1 10 . 1 1 16 16 PHE CB C 16 39.475 39.475 39.229 0.246 19002 3824 1 10 . 1 1 16 16 PHE H H 16 8.265 8.265 8.223 0.042 19002 3825 1 10 . 1 1 17 17 ARG N N 17 122.074 122.074 125.961 -3.887 19002 3826 1 10 . 1 1 17 17 ARG HA H 17 4.323 4.323 4.580 -0.257 19002 3827 1 10 . 1 1 17 17 ARG C C 17 176.452 176.452 175.460 0.992 19002 3828 1 10 . 1 1 17 17 ARG CA C 17 56.710 56.710 56.849 -0.139 19002 3829 1 10 . 1 1 17 17 ARG CB C 17 30.937 30.937 31.575 -0.638 19002 3830 1 10 . 1 1 17 17 ARG H H 17 8.155 8.155 8.394 -0.239 19002 3831 1 10 . 1 1 18 18 THR N N 18 114.223 114.223 107.430 6.793 19002 3832 1 10 . 1 1 18 18 THR HA H 18 4.231 4.231 4.544 -0.313 19002 3833 1 10 . 1 1 18 18 THR C C 18 174.348 174.348 173.664 0.684 19002 3834 1 10 . 1 1 18 18 THR CA C 18 62.410 62.410 60.933 1.477 19002 3835 1 10 . 1 1 18 18 THR CB C 18 69.509 69.509 71.312 -1.803 19002 3836 1 10 . 1 1 18 18 THR H H 18 8.015 8.015 7.573 0.442 19002 3837 1 10 . 1 1 19 19 ARG N N 19 120.957 120.957 122.241 -1.284 19002 3838 1 10 . 1 1 19 19 ARG HA H 19 4.323 4.323 4.556 -0.233 19002 3839 1 10 . 1 1 19 19 ARG C C 19 175.986 175.986 176.389 -0.403 19002 3840 1 10 . 1 1 19 19 ARG CA C 19 56.093 56.093 55.254 0.839 19002 3841 1 10 . 1 1 19 19 ARG CB C 19 30.480 30.480 29.599 0.880 19002 3842 1 10 . 1 1 19 19 ARG H H 19 8.080 8.080 8.833 -0.753 19002 3843 1 10 . 1 1 20 20 GLY N N 20 107.963 107.963 109.669 -1.706 19002 3844 1 10 . 1 1 20 20 GLY C C 20 173.802 173.802 173.921 -0.119 19002 3845 1 10 . 1 1 20 20 GLY CA C 20 45.273 45.273 45.530 -0.257 19002 3846 1 10 . 1 1 20 20 GLY H H 20 8.241 8.241 8.408 -0.167 19002 3847 1 10 . 1 1 21 21 LEU N N 21 121.181 121.181 121.415 -0.234 19002 3848 1 10 . 1 1 21 21 LEU HA H 21 4.770 4.770 4.396 0.374 19002 3849 1 10 . 1 1 21 21 LEU C C 21 178.414 178.414 177.359 1.055 19002 3850 1 10 . 1 1 21 21 LEU CA C 21 54.677 54.677 55.106 -0.429 19002 3851 1 10 . 1 1 21 21 LEU CB C 21 43.142 43.142 42.689 0.453 19002 3852 1 10 . 1 1 21 21 LEU H H 21 7.967 7.967 7.901 0.066 19002 3853 1 10 . 1 1 22 22 THR N N 22 114.494 114.494 117.215 -2.721 19002 3854 1 10 . 1 1 22 22 THR HA H 22 4.558 4.558 4.461 0.097 19002 3855 1 10 . 1 1 22 22 THR C C 22 175.359 175.359 175.366 -0.007 19002 3856 1 10 . 1 1 22 22 THR CA C 22 61.316 61.316 60.926 0.390 19002 3857 1 10 . 1 1 22 22 THR CB C 22 71.015 71.015 70.304 0.711 19002 3858 1 10 . 1 1 22 22 THR H H 22 9.075 9.075 8.204 0.871 19002 3859 1 10 . 1 1 23 23 ASP N N 23 121.204 121.204 121.201 0.003 19002 3860 1 10 . 1 1 23 23 ASP HA H 23 4.485 4.485 4.391 0.094 19002 3861 1 10 . 1 1 23 23 ASP C C 23 178.697 178.697 178.784 -0.087 19002 3862 1 10 . 1 1 23 23 ASP CA C 23 58.315 58.315 58.317 -0.002 19002 3863 1 10 . 1 1 23 23 ASP CB C 23 39.931 39.931 40.535 -0.604 19002 3864 1 10 . 1 1 23 23 ASP H H 23 8.943 8.943 8.826 0.117 19002 3865 1 10 . 1 1 24 24 GLU N N 24 119.241 119.241 119.723 -0.482 19002 3866 1 10 . 1 1 24 24 GLU HA H 24 4.199 4.199 4.150 0.049 19002 3867 1 10 . 1 1 24 24 GLU C C 24 179.911 179.911 179.045 0.866 19002 3868 1 10 . 1 1 24 24 GLU CA C 24 59.973 59.973 59.510 0.463 19002 3869 1 10 . 1 1 24 24 GLU CB C 24 29.306 29.306 29.607 -0.301 19002 3870 1 10 . 1 1 24 24 GLU H H 24 8.741 8.741 8.750 -0.009 19002 3871 1 10 . 1 1 25 25 GLU N N 25 121.151 121.151 120.305 0.846 19002 3872 1 10 . 1 1 25 25 GLU HA H 25 4.200 4.200 4.250 -0.050 19002 3873 1 10 . 1 1 25 25 GLU C C 25 178.394 178.394 179.165 -0.771 19002 3874 1 10 . 1 1 25 25 GLU CA C 25 59.178 59.178 58.944 0.234 19002 3875 1 10 . 1 1 25 25 GLU CB C 25 30.873 30.873 29.572 1.301 19002 3876 1 10 . 1 1 25 25 GLU H H 25 7.801 7.801 7.732 0.069 19002 3877 1 10 . 1 1 26 26 TYR N N 26 120.692 120.692 120.996 -0.304 19002 3878 1 10 . 1 1 26 26 TYR HA H 26 4.184 4.184 4.154 0.030 19002 3879 1 10 . 1 1 26 26 TYR C C 26 177.483 177.483 177.595 -0.112 19002 3880 1 10 . 1 1 26 26 TYR CA C 26 61.924 61.924 61.526 0.397 19002 3881 1 10 . 1 1 26 26 TYR CB C 26 37.837 37.837 38.685 -0.848 19002 3882 1 10 . 1 1 26 26 TYR H H 26 8.897 8.897 8.745 0.152 19002 3883 1 10 . 1 1 27 27 ASP N N 27 118.898 118.898 119.559 -0.661 19002 3884 1 10 . 1 1 27 27 ASP HA H 27 4.338 4.338 4.180 0.158 19002 3885 1 10 . 1 1 27 27 ASP C C 27 178.535 178.535 178.156 0.379 19002 3886 1 10 . 1 1 27 27 ASP CA C 27 57.864 57.864 58.249 -0.385 19002 3887 1 10 . 1 1 27 27 ASP CB C 27 40.797 40.797 40.825 -0.028 19002 3888 1 10 . 1 1 27 27 ASP H H 27 8.135 8.135 8.462 -0.327 19002 3889 1 10 . 1 1 28 28 GLU N N 28 121.020 121.020 120.101 0.919 19002 3890 1 10 . 1 1 28 28 GLU HA H 28 4.101 4.101 3.995 0.106 19002 3891 1 10 . 1 1 28 28 GLU C C 28 178.394 178.394 178.573 -0.179 19002 3892 1 10 . 1 1 28 28 GLU CA C 28 59.450 59.450 59.287 0.163 19002 3893 1 10 . 1 1 28 28 GLU CB C 28 29.231 29.231 29.763 -0.532 19002 3894 1 10 . 1 1 28 28 GLU H H 28 7.655 7.655 8.058 -0.403 19002 3895 1 10 . 1 1 29 29 PHE N N 29 121.567 121.567 120.681 0.886 19002 3896 1 10 . 1 1 29 29 PHE HA H 29 3.765 3.765 3.863 -0.098 19002 3897 1 10 . 1 1 29 29 PHE C C 29 176.169 176.169 177.134 -0.965 19002 3898 1 10 . 1 1 29 29 PHE CA C 29 61.371 61.371 60.809 0.562 19002 3899 1 10 . 1 1 29 29 PHE CB C 29 37.588 37.588 38.386 -0.798 19002 3900 1 10 . 1 1 29 29 PHE H H 29 8.471 8.471 8.287 0.184 19002 3901 1 10 . 1 1 30 30 LYS N N 30 118.916 118.916 119.572 -0.656 19002 3902 1 10 . 1 1 30 30 LYS HA H 30 3.137 3.137 3.384 -0.247 19002 3903 1 10 . 1 1 30 30 LYS C C 30 179.445 179.445 178.740 0.705 19002 3904 1 10 . 1 1 30 30 LYS CA C 30 60.346 60.346 60.122 0.224 19002 3905 1 10 . 1 1 30 30 LYS CB C 30 31.992 31.992 31.985 0.007 19002 3906 1 10 . 1 1 30 30 LYS H H 30 8.287 8.287 8.272 0.015 19002 3907 1 10 . 1 1 31 31 LYS N N 31 120.113 120.113 119.189 0.924 19002 3908 1 10 . 1 1 31 31 LYS HA H 31 4.018 4.018 3.861 0.157 19002 3909 1 10 . 1 1 31 31 LYS C C 31 179.918 179.918 179.446 0.472 19002 3910 1 10 . 1 1 31 31 LYS CA C 31 59.700 59.700 59.566 0.134 19002 3911 1 10 . 1 1 31 31 LYS CB C 31 32.300 32.300 32.192 0.108 19002 3912 1 10 . 1 1 31 31 LYS H H 31 7.690 7.690 8.176 -0.486 19002 3913 1 10 . 1 1 32 32 ARG N N 32 121.200 121.200 118.807 2.393 19002 3914 1 10 . 1 1 32 32 ARG HA H 32 3.893 3.893 3.861 0.032 19002 3915 1 10 . 1 1 32 32 ARG C C 32 178.990 178.990 178.812 0.178 19002 3916 1 10 . 1 1 32 32 ARG CA C 32 59.452 59.452 59.112 0.340 19002 3917 1 10 . 1 1 32 32 ARG CB C 32 31.284 31.284 30.014 1.270 19002 3918 1 10 . 1 1 32 32 ARG H H 32 8.299 8.299 8.270 0.029 19002 3919 1 10 . 1 1 33 33 ARG N N 33 120.223 120.223 120.601 -0.378 19002 3920 1 10 . 1 1 33 33 ARG HA H 33 3.698 3.698 3.948 -0.250 19002 3921 1 10 . 1 1 33 33 ARG C C 33 178.697 178.697 177.732 0.965 19002 3922 1 10 . 1 1 33 33 ARG CA C 33 59.607 59.607 59.161 0.446 19002 3923 1 10 . 1 1 33 33 ARG CB C 33 29.570 29.570 29.782 -0.212 19002 3924 1 10 . 1 1 33 33 ARG H H 33 8.704 8.704 8.340 0.364 19002 3925 1 10 . 1 1 34 34 GLU N N 34 119.860 119.860 118.987 0.873 19002 3926 1 10 . 1 1 34 34 GLU HA H 34 4.046 4.046 3.968 0.078 19002 3927 1 10 . 1 1 34 34 GLU C C 34 179.850 179.850 179.304 0.546 19002 3928 1 10 . 1 1 34 34 GLU CA C 34 59.210 59.210 59.418 -0.208 19002 3929 1 10 . 1 1 34 34 GLU CB C 34 29.380 29.380 29.270 0.109 19002 3930 1 10 . 1 1 34 34 GLU H H 34 7.941 7.941 8.598 -0.657 19002 3931 1 10 . 1 1 35 35 SER N N 35 115.261 115.261 115.703 -0.442 19002 3932 1 10 . 1 1 35 35 SER HA H 35 4.378 4.378 4.243 0.135 19002 3933 1 10 . 1 1 35 35 SER C C 35 175.339 175.339 176.081 -0.742 19002 3934 1 10 . 1 1 35 35 SER CA C 35 60.068 60.068 60.604 -0.536 19002 3935 1 10 . 1 1 35 35 SER CB C 35 63.321 63.321 63.195 0.126 19002 3936 1 10 . 1 1 35 35 SER H H 35 7.813 7.813 7.615 0.198 19002 3937 1 10 . 1 1 36 36 ARG N N 36 119.557 119.557 119.521 0.036 19002 3938 1 10 . 1 1 36 36 ARG HA H 36 4.439 4.439 4.442 -0.003 19002 3939 1 10 . 1 1 36 36 ARG C C 36 177.524 177.524 175.881 1.643 19002 3940 1 10 . 1 1 36 36 ARG CA C 36 55.794 55.794 54.696 1.098 19002 3941 1 10 . 1 1 36 36 ARG CB C 36 30.276 30.276 30.286 -0.010 19002 3942 1 10 . 1 1 36 36 ARG H H 36 7.459 7.459 7.306 0.153 19002 3943 1 10 . 1 1 37 37 GLY N N 37 109.722 109.722 106.485 3.237 19002 3944 1 10 . 1 1 37 37 GLY C C 37 175.117 175.117 175.328 -0.211 19002 3945 1 10 . 1 1 37 37 GLY CA C 37 46.691 46.691 45.496 1.194 19002 3946 1 10 . 1 1 37 37 GLY H H 37 7.981 7.981 7.682 0.299 19002 3947 1 10 . 1 1 38 38 GLY N N 38 104.904 104.904 106.383 -1.479 19002 3948 1 10 . 1 1 38 38 GLY C C 38 174.489 174.489 174.855 -0.366 19002 3949 1 10 . 1 1 38 38 GLY CA C 38 45.012 45.012 44.971 0.041 19002 3950 1 10 . 1 1 38 38 GLY H H 38 8.271 8.271 8.706 -0.435 19002 3951 1 10 . 1 1 39 39 LYS N N 39 122.169 122.169 123.490 -1.321 19002 3952 1 10 . 1 1 39 39 LYS HA H 39 4.515 4.515 4.412 0.103 19002 3953 1 10 . 1 1 39 39 LYS C C 39 174.995 174.995 175.194 -0.199 19002 3954 1 10 . 1 1 39 39 LYS CA C 39 55.622 55.622 55.903 -0.281 19002 3955 1 10 . 1 1 39 39 LYS CB C 39 30.846 30.846 31.544 -0.699 19002 3956 1 10 . 1 1 39 39 LYS H H 39 7.471 7.471 7.491 -0.020 19002 3957 1 10 . 1 1 40 40 TYR N N 40 123.749 123.749 122.926 0.823 19002 3958 1 10 . 1 1 40 40 TYR HA H 40 4.893 4.893 4.605 0.288 19002 3959 1 10 . 1 1 40 40 TYR C C 40 173.883 173.883 174.198 -0.315 19002 3960 1 10 . 1 1 40 40 TYR CA C 40 58.629 58.629 57.297 1.332 19002 3961 1 10 . 1 1 40 40 TYR CB C 40 40.871 40.871 39.715 1.156 19002 3962 1 10 . 1 1 40 40 TYR H H 40 7.687 7.687 8.172 -0.485 19002 3963 1 10 . 1 1 41 41 SER N N 41 124.561 124.561 121.349 3.212 19002 3964 1 10 . 1 1 41 41 SER HA H 41 5.061 5.061 4.596 0.465 19002 3965 1 10 . 1 1 41 41 SER C C 41 175.258 175.258 175.003 0.255 19002 3966 1 10 . 1 1 41 41 SER CA C 41 56.913 56.913 57.285 -0.372 19002 3967 1 10 . 1 1 41 41 SER CB C 41 67.136 67.136 64.130 3.006 19002 3968 1 10 . 1 1 41 41 SER H H 41 9.246 9.246 9.145 0.101 19002 3969 1 10 . 1 1 42 42 ILE N N 42 122.298 122.298 121.713 0.585 19002 3970 1 10 . 1 1 42 42 ILE HA H 42 3.384 3.384 3.266 0.118 19002 3971 1 10 . 1 1 42 42 ILE C C 42 176.573 176.573 176.962 -0.389 19002 3972 1 10 . 1 1 42 42 ILE CA C 42 63.317 63.317 64.223 -0.906 19002 3973 1 10 . 1 1 42 42 ILE CB C 42 37.290 37.290 38.037 -0.747 19002 3974 1 10 . 1 1 42 42 ILE H H 42 8.848 8.848 8.905 -0.057 19002 3975 1 10 . 1 1 43 43 ASP N N 43 118.987 118.987 120.012 -1.025 19002 3976 1 10 . 1 1 43 43 ASP HA H 43 4.317 4.317 4.109 0.208 19002 3977 1 10 . 1 1 43 43 ASP C C 43 178.940 178.940 177.692 1.248 19002 3978 1 10 . 1 1 43 43 ASP CA C 43 57.809 57.809 59.516 -1.707 19002 3979 1 10 . 1 1 43 43 ASP CB C 43 40.722 40.722 39.531 1.191 19002 3980 1 10 . 1 1 43 43 ASP H H 43 7.673 7.673 8.482 -0.809 19002 3981 1 10 . 1 1 44 44 ASP N N 44 121.961 121.961 118.191 3.770 19002 3982 1 10 . 1 1 44 44 ASP HA H 44 4.259 4.259 4.327 -0.068 19002 3983 1 10 . 1 1 44 44 ASP C C 44 177.564 177.564 178.186 -0.622 19002 3984 1 10 . 1 1 44 44 ASP CA C 44 57.624 57.624 57.052 0.572 19002 3985 1 10 . 1 1 44 44 ASP CB C 44 41.244 41.244 40.154 1.090 19002 3986 1 10 . 1 1 44 44 ASP H H 44 7.610 7.610 8.649 -1.039 19002 3987 1 10 . 1 1 45 45 TYR N N 45 121.352 121.352 120.860 0.492 19002 3988 1 10 . 1 1 45 45 TYR HA H 45 4.676 4.676 4.574 0.102 19002 3989 1 10 . 1 1 45 45 TYR C C 45 177.362 177.362 177.286 0.076 19002 3990 1 10 . 1 1 45 45 TYR CA C 45 60.703 60.703 60.528 0.175 19002 3991 1 10 . 1 1 45 45 TYR CB C 45 38.747 38.747 39.240 -0.493 19002 3992 1 10 . 1 1 45 45 TYR H H 45 7.750 7.750 6.990 0.760 19002 3993 1 10 . 1 1 46 46 LEU N N 46 118.650 118.650 119.983 -1.333 19002 3994 1 10 . 1 1 46 46 LEU HA H 46 3.697 3.697 3.712 -0.015 19002 3995 1 10 . 1 1 46 46 LEU C C 46 179.850 179.850 178.877 0.973 19002 3996 1 10 . 1 1 46 46 LEU CA C 46 57.807 57.807 57.523 0.284 19002 3997 1 10 . 1 1 46 46 LEU CB C 46 41.205 41.205 41.396 -0.191 19002 3998 1 10 . 1 1 46 46 LEU H H 46 8.544 8.544 8.693 -0.149 19002 3999 1 10 . 1 1 47 47 ALA N N 47 121.991 121.991 121.053 0.938 19002 4000 1 10 . 1 1 47 47 ALA HA H 47 4.190 4.190 3.937 0.253 19002 4001 1 10 . 1 1 47 47 ALA C C 47 180.457 180.457 179.151 1.306 19002 4002 1 10 . 1 1 47 47 ALA CA C 47 55.048 55.048 55.186 -0.138 19002 4003 1 10 . 1 1 47 47 ALA CB C 47 18.337 18.337 18.104 0.233 19002 4004 1 10 . 1 1 47 47 ALA H H 47 7.716 7.716 8.395 -0.679 19002 4005 1 10 . 1 1 48 48 ASP N N 48 120.788 120.788 118.003 2.785 19002 4006 1 10 . 1 1 48 48 ASP HA H 48 4.505 4.505 4.369 0.136 19002 4007 1 10 . 1 1 48 48 ASP C C 48 178.596 178.596 177.807 0.789 19002 4008 1 10 . 1 1 48 48 ASP CA C 48 57.361 57.361 56.768 0.593 19002 4009 1 10 . 1 1 48 48 ASP CB C 48 40.076 40.076 40.990 -0.914 19002 4010 1 10 . 1 1 48 48 ASP H H 48 8.316 8.316 7.638 0.678 19002 4011 1 10 . 1 1 49 49 ARG N N 49 120.274 120.274 120.174 0.100 19002 4012 1 10 . 1 1 49 49 ARG HA H 49 3.952 3.952 3.757 0.195 19002 4013 1 10 . 1 1 49 49 ARG C C 49 178.454 178.454 178.146 0.308 19002 4014 1 10 . 1 1 49 49 ARG CA C 49 58.133 58.133 58.944 -0.812 19002 4015 1 10 . 1 1 49 49 ARG CB C 49 29.231 29.231 29.939 -0.708 19002 4016 1 10 . 1 1 49 49 ARG H H 49 8.459 8.459 8.154 0.305 19002 4017 1 10 . 1 1 50 50 GLU N N 50 118.834 118.834 118.460 0.374 19002 4018 1 10 . 1 1 50 50 GLU HA H 50 4.101 4.101 4.195 -0.094 19002 4019 1 10 . 1 1 50 50 GLU C C 50 178.353 178.353 179.252 -0.899 19002 4020 1 10 . 1 1 50 50 GLU CA C 50 58.928 58.928 59.295 -0.367 19002 4021 1 10 . 1 1 50 50 GLU CB C 50 29.530 29.530 28.963 0.567 19002 4022 1 10 . 1 1 50 50 GLU H H 50 7.734 7.734 8.120 -0.386 19002 4023 1 10 . 1 1 51 51 ARG N N 51 119.239 119.239 118.894 0.345 19002 4024 1 10 . 1 1 51 51 ARG HA H 51 4.240 4.240 4.113 0.127 19002 4025 1 10 . 1 1 51 51 ARG C C 51 178.370 178.370 178.805 -0.435 19002 4026 1 10 . 1 1 51 51 ARG CA C 51 58.105 58.105 59.023 -0.918 19002 4027 1 10 . 1 1 51 51 ARG CB C 51 30.649 30.649 30.197 0.452 19002 4028 1 10 . 1 1 51 51 ARG H H 51 7.694 7.694 7.308 0.386 19002 4029 1 10 . 1 1 52 52 GLU N N 52 119.667 119.667 119.442 0.225 19002 4030 1 10 . 1 1 52 52 GLU HA H 52 4.099 4.099 4.034 0.065 19002 4031 1 10 . 1 1 52 52 GLU C C 52 178.370 178.370 179.156 -0.786 19002 4032 1 10 . 1 1 52 52 GLU CA C 52 58.538 58.538 59.058 -0.520 19002 4033 1 10 . 1 1 52 52 GLU CB C 52 29.661 29.661 28.915 0.746 19002 4034 1 10 . 1 1 52 52 GLU H H 52 8.299 8.299 8.242 0.057 19002 4035 1 10 . 1 1 53 53 GLU N N 53 119.152 119.152 118.367 0.785 19002 4036 1 10 . 1 1 53 53 GLU HA H 53 4.210 4.210 4.055 0.155 19002 4037 1 10 . 1 1 53 53 GLU C C 53 177.740 177.740 178.392 -0.652 19002 4038 1 10 . 1 1 53 53 GLU CA C 53 58.172 58.172 58.751 -0.579 19002 4039 1 10 . 1 1 53 53 GLU CB C 53 29.530 29.530 29.540 -0.009 19002 4040 1 10 . 1 1 53 53 GLU H H 53 8.098 8.098 8.485 -0.387 19002 4041 1 10 . 1 1 54 54 GLU N N 54 120.097 120.097 116.133 3.964 19002 4042 1 10 . 1 1 54 54 GLU HA H 54 4.212 4.212 4.222 -0.010 19002 4043 1 10 . 1 1 54 54 GLU C C 54 177.443 177.443 177.775 -0.332 19002 4044 1 10 . 1 1 54 54 GLU CA C 54 58.081 58.081 57.587 0.495 19002 4045 1 10 . 1 1 54 54 GLU CB C 54 29.788 29.788 29.938 -0.150 19002 4046 1 10 . 1 1 54 54 GLU H H 54 7.968 7.968 7.762 0.206 19002 4047 1 10 . 1 1 55 55 LEU N N 55 120.563 120.563 120.918 -0.355 19002 4048 1 10 . 1 1 55 55 LEU HA H 55 4.288 4.288 4.286 0.002 19002 4049 1 10 . 1 1 55 55 LEU C C 55 177.735 177.735 176.652 1.083 19002 4050 1 10 . 1 1 55 55 LEU CA C 55 56.070 56.070 55.181 0.889 19002 4051 1 10 . 1 1 55 55 LEU CB C 55 42.062 42.062 42.174 -0.112 19002 4052 1 10 . 1 1 55 55 LEU H H 55 7.905 7.905 7.678 0.227 19002 4053 1 10 . 1 1 56 56 LEU N N 56 121.250 121.250 116.905 4.345 19002 4054 1 10 . 1 1 56 56 LEU HA H 56 4.312 4.312 4.217 0.095 19002 4055 1 10 . 1 1 56 56 LEU C C 56 177.726 177.726 176.682 1.044 19002 4056 1 10 . 1 1 56 56 LEU CA C 56 55.979 55.979 54.644 1.335 19002 4057 1 10 . 1 1 56 56 LEU CB C 56 42.635 42.635 42.767 -0.132 19002 4058 1 10 . 1 1 56 56 LEU H H 56 7.859 7.859 7.401 0.458 19002 4059 1 10 . 1 1 57 57 GLU N N 57 120.632 120.632 115.903 4.729 19002 4060 1 10 . 1 1 57 57 GLU HA H 57 4.283 4.283 3.951 0.332 19002 4061 1 10 . 1 1 57 57 GLU C C 57 176.553 176.553 175.775 0.778 19002 4062 1 10 . 1 1 57 57 GLU CA C 57 57.076 57.076 57.690 -0.614 19002 4063 1 10 . 1 1 57 57 GLU CB C 57 30.052 30.052 28.338 1.714 19002 4064 1 10 . 1 1 57 57 GLU H H 57 8.153 8.153 8.896 -0.743 19002 4065 1 10 . 1 1 58 58 ARG N N 58 121.282 121.282 118.502 2.780 19002 4066 1 10 . 1 1 58 58 ARG HA H 58 4.372 4.372 4.265 0.107 19002 4067 1 10 . 1 1 58 58 ARG C C 58 176.169 176.169 175.174 0.995 19002 4068 1 10 . 1 1 58 58 ARG CA C 58 56.344 56.344 57.487 -1.143 19002 4069 1 10 . 1 1 58 58 ARG CB C 58 31.102 31.102 31.618 -0.516 19002 4070 1 10 . 1 1 58 58 ARG H H 58 8.146 8.146 8.314 -0.168 19002 4071 1 10 . 1 1 59 59 ASP N N 59 121.619 121.619 115.999 5.620 19002 4072 1 10 . 1 1 59 59 ASP HA H 59 4.639 4.639 4.741 -0.102 19002 4073 1 10 . 1 1 59 59 ASP C C 59 176.553 176.553 176.732 -0.179 19002 4074 1 10 . 1 1 59 59 ASP CA C 59 54.768 54.768 54.854 -0.086 19002 4075 1 10 . 1 1 59 59 ASP CB C 59 41.256 41.256 41.104 0.152 19002 4076 1 10 . 1 1 59 59 ASP H H 59 8.386 8.386 8.317 0.069 19002 4077 1 10 . 1 1 60 60 GLU N N 60 121.214 121.214 120.364 0.850 19002 4078 1 10 . 1 1 60 60 GLU HA H 60 4.273 4.273 4.044 0.229 19002 4079 1 10 . 1 1 60 60 GLU C C 60 176.876 176.876 176.987 -0.111 19002 4080 1 10 . 1 1 60 60 GLU CA C 60 57.361 57.361 58.583 -1.222 19002 4081 1 10 . 1 1 60 60 GLU CB C 60 30.425 30.425 28.883 1.542 19002 4082 1 10 . 1 1 60 60 GLU H H 60 8.372 8.372 8.579 -0.207 19002 4083 1 10 . 1 1 61 61 GLU N N 61 121.077 121.077 119.168 1.909 19002 4084 1 10 . 1 1 61 61 GLU HA H 61 4.210 4.210 4.163 0.047 19002 4085 1 10 . 1 1 61 61 GLU C C 61 176.832 176.832 177.006 -0.174 19002 4086 1 10 . 1 1 61 61 GLU CA C 61 57.734 57.734 58.479 -0.745 19002 4087 1 10 . 1 1 61 61 GLU CB C 61 30.425 30.425 30.123 0.302 19002 4088 1 10 . 1 1 61 61 GLU H H 61 8.384 8.384 8.362 0.022 19002 4089 1 10 . 1 1 62 62 GLU N N 62 121.155 121.155 115.073 6.082 19002 4090 1 10 . 1 1 62 62 GLU HA H 62 4.249 4.249 4.580 -0.331 19002 4091 1 10 . 1 1 62 62 GLU C C 62 176.432 176.432 174.785 1.647 19002 4092 1 10 . 1 1 62 62 GLU CA C 62 57.137 57.137 55.531 1.607 19002 4093 1 10 . 1 1 62 62 GLU CB C 62 30.425 30.425 32.082 -1.657 19002 4094 1 10 . 1 1 62 62 GLU H H 62 8.300 8.300 7.842 0.458 19002 4095 1 10 . 1 1 63 63 ALA N N 63 124.607 124.607 122.718 1.889 19002 4096 1 10 . 1 1 63 63 ALA HA H 63 4.293 4.293 4.231 0.062 19002 4097 1 10 . 1 1 63 63 ALA C C 63 177.483 177.483 176.494 0.989 19002 4098 1 10 . 1 1 63 63 ALA CA C 63 52.915 52.915 52.420 0.495 19002 4099 1 10 . 1 1 63 63 ALA CB C 63 19.070 19.070 17.122 1.948 19002 4100 1 10 . 1 1 63 63 ALA H H 63 8.178 8.178 7.966 0.212 19002 4101 1 10 . 1 1 64 64 ILE N N 64 118.941 118.941 119.968 -1.027 19002 4102 1 10 . 1 1 64 64 ILE HA H 64 4.076 4.076 3.987 0.089 19002 4103 1 10 . 1 1 64 64 ILE C C 64 176.047 176.047 176.799 -0.752 19002 4104 1 10 . 1 1 64 64 ILE CA C 64 61.342 61.342 62.875 -1.533 19002 4105 1 10 . 1 1 64 64 ILE CB C 64 38.700 38.700 38.780 -0.080 19002 4106 1 10 . 1 1 64 64 ILE H H 64 7.872 7.872 8.058 -0.186 19002 4107 1 10 . 1 1 65 65 PHE N N 65 122.809 122.809 118.174 4.635 19002 4108 1 10 . 1 1 65 65 PHE HA H 65 4.615 4.615 4.782 -0.167 19002 4109 1 10 . 1 1 65 65 PHE C C 65 176.270 176.270 175.952 0.318 19002 4110 1 10 . 1 1 65 65 PHE CA C 65 57.807 57.807 56.888 0.919 19002 4111 1 10 . 1 1 65 65 PHE CB C 65 39.827 39.827 38.223 1.604 19002 4112 1 10 . 1 1 65 65 PHE H H 65 8.188 8.188 8.046 0.142 19002 4113 1 10 . 1 1 66 66 GLY N N 66 110.278 110.278 109.091 1.187 19002 4114 1 10 . 1 1 66 66 GLY C C 66 173.802 173.802 171.940 1.862 19002 4115 1 10 . 1 1 66 66 GLY CA C 66 45.391 45.391 43.788 1.603 19002 4116 1 10 . 1 1 66 66 GLY H H 66 8.213 8.213 7.315 0.898 19002 4117 1 10 . 1 1 67 67 ASP N N 67 120.510 120.510 118.575 1.935 19002 4118 1 10 . 1 1 67 67 ASP HA H 67 4.599 4.599 4.603 -0.004 19002 4119 1 10 . 1 1 67 67 ASP C C 67 176.897 176.897 176.172 0.725 19002 4120 1 10 . 1 1 67 67 ASP CA C 67 54.425 54.425 53.738 0.687 19002 4121 1 10 . 1 1 67 67 ASP CB C 67 41.265 41.265 41.609 -0.344 19002 4122 1 10 . 1 1 67 67 ASP H H 67 8.254 8.254 8.318 -0.064 19002 4123 1 10 . 1 1 68 68 GLY N N 68 108.789 108.789 107.499 1.290 19002 4124 1 10 . 1 1 68 68 GLY C C 68 174.307 174.307 172.987 1.320 19002 4125 1 10 . 1 1 68 68 GLY CA C 68 46.020 46.020 44.837 1.183 19002 4126 1 10 . 1 1 68 68 GLY H H 68 8.342 8.342 8.665 -0.323 19002 4127 1 10 . 1 1 69 69 PHE N N 69 119.903 119.903 117.311 2.592 19002 4128 1 10 . 1 1 69 69 PHE HA H 69 4.599 4.599 4.977 -0.378 19002 4129 1 10 . 1 1 69 69 PHE C C 69 176.432 176.432 175.743 0.689 19002 4130 1 10 . 1 1 69 69 PHE CA C 69 58.146 58.146 56.484 1.662 19002 4131 1 10 . 1 1 69 69 PHE CB C 69 39.339 39.339 40.129 -0.790 19002 4132 1 10 . 1 1 69 69 PHE H H 69 8.178 8.178 7.739 0.439 19002 4133 1 10 . 1 1 70 70 GLY N N 70 110.089 110.089 107.748 2.341 19002 4134 1 10 . 1 1 70 70 GLY C C 70 174.227 174.227 174.901 -0.674 19002 4135 1 10 . 1 1 70 70 GLY CA C 70 45.628 45.628 45.370 0.258 19002 4136 1 10 . 1 1 70 70 GLY H H 70 8.382 8.382 8.687 -0.305 19002 4137 1 10 . 1 1 71 71 LEU N N 71 121.600 121.600 119.715 1.885 19002 4138 1 10 . 1 1 71 71 LEU HA H 71 4.290 4.290 3.971 0.319 19002 4139 1 10 . 1 1 71 71 LEU C C 71 177.645 177.645 177.909 -0.264 19002 4140 1 10 . 1 1 71 71 LEU CA C 71 55.500 55.500 57.487 -1.987 19002 4141 1 10 . 1 1 71 71 LEU CB C 71 42.400 42.400 41.822 0.578 19002 4142 1 10 . 1 1 71 71 LEU H H 71 8.069 8.069 8.265 -0.196 19002 4143 1 10 . 1 1 72 72 LYS N N 72 121.214 121.214 115.808 5.406 19002 4144 1 10 . 1 1 72 72 LYS HA H 72 4.283 4.283 4.435 -0.152 19002 4145 1 10 . 1 1 72 72 LYS C C 72 176.553 176.553 177.690 -1.137 19002 4146 1 10 . 1 1 72 72 LYS CA C 72 56.594 56.594 57.021 -0.427 19002 4147 1 10 . 1 1 72 72 LYS CB C 72 32.765 32.765 32.531 0.235 19002 4148 1 10 . 1 1 72 72 LYS H H 72 8.372 8.372 8.213 0.159 19002 4149 1 10 . 1 1 73 73 ALA N N 73 124.187 124.187 124.826 -0.639 19002 4150 1 10 . 1 1 73 73 ALA HA H 73 4.347 4.347 4.332 0.015 19002 4151 1 10 . 1 1 73 73 ALA C C 73 178.009 178.009 177.937 0.072 19002 4152 1 10 . 1 1 73 73 ALA CA C 73 52.597 52.597 53.602 -1.005 19002 4153 1 10 . 1 1 73 73 ALA CB C 73 19.239 19.239 19.351 -0.112 19002 4154 1 10 . 1 1 73 73 ALA H H 73 8.188 8.188 8.342 -0.154 19002 4155 1 10 . 1 1 74 74 THR N N 74 112.973 112.973 116.281 -3.308 19002 4156 1 10 . 1 1 74 74 THR HA H 74 4.339 4.339 4.321 0.018 19002 4157 1 10 . 1 1 74 74 THR C C 74 174.753 174.753 173.877 0.876 19002 4158 1 10 . 1 1 74 74 THR CA C 74 62.046 62.046 62.187 -0.141 19002 4159 1 10 . 1 1 74 74 THR CB C 74 69.779 69.779 67.429 2.350 19002 4160 1 10 . 1 1 74 74 THR H H 74 8.054 8.054 8.277 -0.223 19002 4161 1 10 . 1 1 75 75 ARG N N 75 123.112 123.112 125.783 -2.671 19002 4162 1 10 . 1 1 75 75 ARG HA H 75 4.371 4.371 4.282 0.089 19002 4163 1 10 . 1 1 75 75 ARG C C 75 176.411 176.411 176.536 -0.125 19002 4164 1 10 . 1 1 75 75 ARG CA C 75 56.801 56.801 55.452 1.349 19002 4165 1 10 . 1 1 75 75 ARG CB C 75 30.798 30.798 28.243 2.555 19002 4166 1 10 . 1 1 75 75 ARG H H 75 8.296 8.296 7.903 0.393 19002 4167 1 10 . 1 1 76 76 ARG N N 76 121.977 121.977 123.431 -1.454 19002 4168 1 10 . 1 1 76 76 ARG HA H 76 4.362 4.362 4.607 -0.245 19002 4169 1 10 . 1 1 76 76 ARG C C 76 176.411 176.411 176.701 -0.290 19002 4170 1 10 . 1 1 76 76 ARG CA C 76 56.689 56.689 56.130 0.559 19002 4171 1 10 . 1 1 76 76 ARG CB C 76 30.873 30.873 30.206 0.667 19002 4172 1 10 . 1 1 76 76 ARG H H 76 8.360 8.360 7.910 0.450 19002 4173 1 10 . 1 1 77 77 SER N N 77 116.981 116.981 116.279 0.702 19002 4174 1 10 . 1 1 77 77 SER HA H 77 4.483 4.483 4.380 0.103 19002 4175 1 10 . 1 1 77 77 SER C C 77 174.672 174.672 175.063 -0.391 19002 4176 1 10 . 1 1 77 77 SER CA C 77 58.497 58.497 58.156 0.341 19002 4177 1 10 . 1 1 77 77 SER CB C 77 63.839 63.839 63.837 0.002 19002 4178 1 10 . 1 1 77 77 SER H H 77 8.325 8.325 8.174 0.151 19002 4179 1 10 . 1 1 78 78 ARG N N 78 123.324 123.324 121.604 1.720 19002 4180 1 10 . 1 1 78 78 ARG HA H 78 4.377 4.377 4.005 0.372 19002 4181 1 10 . 1 1 78 78 ARG C C 78 176.492 176.492 175.295 1.197 19002 4182 1 10 . 1 1 78 78 ARG CA C 78 56.619 56.619 58.367 -1.748 19002 4183 1 10 . 1 1 78 78 ARG CB C 78 30.873 30.873 29.135 1.738 19002 4184 1 10 . 1 1 78 78 ARG H H 78 8.421 8.421 8.236 0.185 19002 4185 1 10 . 1 1 79 79 LYS N N 79 122.352 122.352 120.613 1.739 19002 4186 1 10 . 1 1 79 79 LYS HA H 79 4.266 4.266 4.551 -0.285 19002 4187 1 10 . 1 1 79 79 LYS C C 79 176.472 176.472 175.026 1.446 19002 4188 1 10 . 1 1 79 79 LYS CA C 79 57.076 57.076 55.983 1.093 19002 4189 1 10 . 1 1 79 79 LYS CB C 79 33.186 33.186 33.153 0.033 19002 4190 1 10 . 1 1 79 79 LYS H H 79 8.300 8.300 8.078 0.222 19002 4191 1 10 . 1 1 80 80 ALA N N 80 124.816 124.816 126.738 -1.922 19002 4192 1 10 . 1 1 80 80 ALA HA H 80 4.308 4.308 4.634 -0.326 19002 4193 1 10 . 1 1 80 80 ALA C C 80 177.787 177.787 177.474 0.313 19002 4194 1 10 . 1 1 80 80 ALA CA C 80 52.597 52.597 51.656 0.941 19002 4195 1 10 . 1 1 80 80 ALA CB C 80 19.180 19.180 19.198 -0.018 19002 4196 1 10 . 1 1 80 80 ALA H H 80 8.269 8.269 8.363 -0.094 19002 4197 1 10 . 1 1 81 81 GLU N N 81 120.243 120.243 121.237 -0.994 19002 4198 1 10 . 1 1 81 81 GLU HA H 81 4.278 4.278 4.103 0.175 19002 4199 1 10 . 1 1 81 81 GLU C C 81 176.614 176.614 177.772 -1.158 19002 4200 1 10 . 1 1 81 81 GLU CA C 81 56.893 56.893 58.382 -1.489 19002 4201 1 10 . 1 1 81 81 GLU CB C 81 30.374 30.374 29.680 0.694 19002 4202 1 10 . 1 1 81 81 GLU H H 81 8.283 8.283 8.793 -0.510 19002 4203 1 10 . 1 1 82 82 ARG N N 82 121.743 121.743 118.925 2.818 19002 4204 1 10 . 1 1 82 82 ARG HA H 82 4.378 4.378 4.411 -0.033 19002 4205 1 10 . 1 1 82 82 ARG C C 82 175.946 175.946 176.627 -0.681 19002 4206 1 10 . 1 1 82 82 ARG CA C 82 56.047 56.047 55.621 0.426 19002 4207 1 10 . 1 1 82 82 ARG CB C 82 30.757 30.757 29.347 1.410 19002 4208 1 10 . 1 1 82 82 ARG H H 82 8.256 8.256 8.404 -0.148 19002 4209 1 10 . 1 1 83 83 ALA N N 83 125.049 125.049 122.724 2.325 19002 4210 1 10 . 1 1 83 83 ALA HA H 83 4.313 4.313 4.323 -0.010 19002 4211 1 10 . 1 1 83 83 ALA C C 83 177.322 177.322 178.221 -0.899 19002 4212 1 10 . 1 1 83 83 ALA CA C 83 52.872 52.872 53.416 -0.544 19002 4213 1 10 . 1 1 83 83 ALA CB C 83 19.239 19.239 18.497 0.742 19002 4214 1 10 . 1 1 83 83 ALA H H 83 8.241 8.241 7.708 0.533 19002 4215 1 10 . 1 1 84 84 LYS N N 84 121.088 121.088 119.256 1.832 19002 4216 1 10 . 1 1 84 84 LYS HA H 84 4.286 4.286 4.113 0.173 19002 4217 1 10 . 1 1 84 84 LYS C C 84 175.460 175.460 176.904 -1.444 19002 4218 1 10 . 1 1 84 84 LYS CA C 84 56.316 56.316 57.394 -1.077 19002 4219 1 10 . 1 1 84 84 LYS CB C 84 32.923 32.923 32.646 0.277 19002 4220 1 10 . 1 1 84 84 LYS H H 84 8.186 8.186 7.910 0.276 19002 4221 1 11 . 1 1 12 12 ARG N N 12 121.400 121.400 123.145 -1.745 19002 4222 1 11 . 1 1 12 12 ARG HA H 12 4.640 4.640 4.681 -0.041 19002 4223 1 11 . 1 1 12 12 ARG C C 12 174.242 174.242 174.185 0.057 19002 4224 1 11 . 1 1 12 12 ARG CA C 12 53.900 53.900 54.757 -0.857 19002 4225 1 11 . 1 1 12 12 ARG CB C 12 30.400 30.400 31.054 -0.654 19002 4226 1 11 . 1 1 12 12 ARG H H 12 8.140 8.140 8.432 -0.292 19002 4227 1 11 . 1 1 13 13 PRO HA H 13 4.457 4.457 4.509 -0.052 19002 4228 1 11 . 1 1 13 13 PRO C C 13 177.524 177.524 176.491 1.033 19002 4229 1 11 . 1 1 13 13 PRO CA C 13 63.259 63.259 62.543 0.716 19002 4230 1 11 . 1 1 13 13 PRO CB C 13 32.067 32.067 31.059 1.008 19002 4231 1 11 . 1 1 14 14 GLY N N 14 109.192 109.192 110.871 -1.679 19002 4232 1 11 . 1 1 14 14 GLY C C 14 174.227 174.227 174.073 0.154 19002 4233 1 11 . 1 1 14 14 GLY CA C 14 45.497 45.497 44.823 0.674 19002 4234 1 11 . 1 1 14 14 GLY H H 14 8.467 8.467 8.109 0.358 19002 4235 1 11 . 1 1 15 15 VAL N N 15 119.157 119.157 120.656 -1.499 19002 4236 1 11 . 1 1 15 15 VAL HA H 15 4.081 4.081 4.053 0.028 19002 4237 1 11 . 1 1 15 15 VAL C C 15 175.986 175.986 176.700 -0.714 19002 4238 1 11 . 1 1 15 15 VAL CA C 15 62.529 62.529 62.528 0.001 19002 4239 1 11 . 1 1 15 15 VAL CB C 15 32.491 32.491 32.044 0.447 19002 4240 1 11 . 1 1 15 15 VAL H H 15 7.837 7.837 7.459 0.378 19002 4241 1 11 . 1 1 16 16 PHE N N 16 123.110 123.110 126.127 -3.017 19002 4242 1 11 . 1 1 16 16 PHE HA H 16 4.614 4.614 4.015 0.599 19002 4243 1 11 . 1 1 16 16 PHE C C 16 175.804 175.804 175.870 -0.066 19002 4244 1 11 . 1 1 16 16 PHE CA C 16 58.398 58.398 60.532 -2.134 19002 4245 1 11 . 1 1 16 16 PHE CB C 16 39.475 39.475 38.207 1.268 19002 4246 1 11 . 1 1 16 16 PHE H H 16 8.265 8.265 8.799 -0.534 19002 4247 1 11 . 1 1 17 17 ARG N N 17 122.074 122.074 120.909 1.165 19002 4248 1 11 . 1 1 17 17 ARG HA H 17 4.323 4.323 4.141 0.182 19002 4249 1 11 . 1 1 17 17 ARG C C 17 176.452 176.452 174.612 1.840 19002 4250 1 11 . 1 1 17 17 ARG CA C 17 56.710 56.710 57.219 -0.509 19002 4251 1 11 . 1 1 17 17 ARG CB C 17 30.937 30.937 27.840 3.098 19002 4252 1 11 . 1 1 17 17 ARG H H 17 8.155 8.155 8.568 -0.413 19002 4253 1 11 . 1 1 18 18 THR N N 18 114.223 114.223 109.328 4.895 19002 4254 1 11 . 1 1 18 18 THR HA H 18 4.231 4.231 4.364 -0.133 19002 4255 1 11 . 1 1 18 18 THR C C 18 174.348 174.348 173.225 1.123 19002 4256 1 11 . 1 1 18 18 THR CA C 18 62.410 62.410 60.531 1.879 19002 4257 1 11 . 1 1 18 18 THR CB C 18 69.509 69.509 71.766 -2.257 19002 4258 1 11 . 1 1 18 18 THR H H 18 8.015 8.015 7.892 0.123 19002 4259 1 11 . 1 1 19 19 ARG N N 19 120.957 120.957 121.476 -0.519 19002 4260 1 11 . 1 1 19 19 ARG HA H 19 4.323 4.323 4.491 -0.168 19002 4261 1 11 . 1 1 19 19 ARG C C 19 175.986 175.986 176.266 -0.280 19002 4262 1 11 . 1 1 19 19 ARG CA C 19 56.093 56.093 55.947 0.146 19002 4263 1 11 . 1 1 19 19 ARG CB C 19 30.480 30.480 30.973 -0.493 19002 4264 1 11 . 1 1 19 19 ARG H H 19 8.080 8.080 8.256 -0.176 19002 4265 1 11 . 1 1 20 20 GLY N N 20 107.963 107.963 108.971 -1.008 19002 4266 1 11 . 1 1 20 20 GLY C C 20 173.802 173.802 173.383 0.419 19002 4267 1 11 . 1 1 20 20 GLY CA C 20 45.273 45.273 45.426 -0.153 19002 4268 1 11 . 1 1 20 20 GLY H H 20 8.241 8.241 8.428 -0.187 19002 4269 1 11 . 1 1 21 21 LEU N N 21 121.181 121.181 121.478 -0.297 19002 4270 1 11 . 1 1 21 21 LEU HA H 21 4.770 4.770 4.448 0.322 19002 4271 1 11 . 1 1 21 21 LEU C C 21 178.414 178.414 177.355 1.059 19002 4272 1 11 . 1 1 21 21 LEU CA C 21 54.677 54.677 54.896 -0.219 19002 4273 1 11 . 1 1 21 21 LEU CB C 21 43.142 43.142 42.539 0.603 19002 4274 1 11 . 1 1 21 21 LEU H H 21 7.967 7.967 7.774 0.193 19002 4275 1 11 . 1 1 22 22 THR N N 22 114.494 114.494 118.774 -4.280 19002 4276 1 11 . 1 1 22 22 THR HA H 22 4.558 4.558 4.390 0.168 19002 4277 1 11 . 1 1 22 22 THR C C 22 175.359 175.359 175.299 0.060 19002 4278 1 11 . 1 1 22 22 THR CA C 22 61.316 61.316 61.360 -0.044 19002 4279 1 11 . 1 1 22 22 THR CB C 22 71.015 71.015 70.299 0.716 19002 4280 1 11 . 1 1 22 22 THR H H 22 9.075 9.075 9.569 -0.494 19002 4281 1 11 . 1 1 23 23 ASP N N 23 121.204 121.204 121.223 -0.019 19002 4282 1 11 . 1 1 23 23 ASP HA H 23 4.485 4.485 4.339 0.146 19002 4283 1 11 . 1 1 23 23 ASP C C 23 178.697 178.697 178.533 0.164 19002 4284 1 11 . 1 1 23 23 ASP CA C 23 58.315 58.315 58.928 -0.613 19002 4285 1 11 . 1 1 23 23 ASP CB C 23 39.931 39.931 40.611 -0.680 19002 4286 1 11 . 1 1 23 23 ASP H H 23 8.943 8.943 8.796 0.147 19002 4287 1 11 . 1 1 24 24 GLU N N 24 119.241 119.241 118.634 0.607 19002 4288 1 11 . 1 1 24 24 GLU HA H 24 4.199 4.199 4.121 0.078 19002 4289 1 11 . 1 1 24 24 GLU C C 24 179.911 179.911 178.829 1.082 19002 4290 1 11 . 1 1 24 24 GLU CA C 24 59.973 59.973 59.245 0.728 19002 4291 1 11 . 1 1 24 24 GLU CB C 24 29.306 29.306 29.065 0.241 19002 4292 1 11 . 1 1 24 24 GLU H H 24 8.741 8.741 8.907 -0.166 19002 4293 1 11 . 1 1 25 25 GLU N N 25 121.151 121.151 121.452 -0.301 19002 4294 1 11 . 1 1 25 25 GLU HA H 25 4.200 4.200 4.209 -0.009 19002 4295 1 11 . 1 1 25 25 GLU C C 25 178.394 178.394 178.959 -0.565 19002 4296 1 11 . 1 1 25 25 GLU CA C 25 59.178 59.178 59.031 0.147 19002 4297 1 11 . 1 1 25 25 GLU CB C 25 30.873 30.873 29.849 1.024 19002 4298 1 11 . 1 1 25 25 GLU H H 25 7.801 7.801 7.652 0.149 19002 4299 1 11 . 1 1 26 26 TYR N N 26 120.692 120.692 120.876 -0.184 19002 4300 1 11 . 1 1 26 26 TYR HA H 26 4.184 4.184 4.097 0.087 19002 4301 1 11 . 1 1 26 26 TYR C C 26 177.483 177.483 177.427 0.056 19002 4302 1 11 . 1 1 26 26 TYR CA C 26 61.924 61.924 61.418 0.506 19002 4303 1 11 . 1 1 26 26 TYR CB C 26 37.837 37.837 38.708 -0.871 19002 4304 1 11 . 1 1 26 26 TYR H H 26 8.897 8.897 8.745 0.152 19002 4305 1 11 . 1 1 27 27 ASP N N 27 118.898 118.898 119.438 -0.540 19002 4306 1 11 . 1 1 27 27 ASP HA H 27 4.338 4.338 4.196 0.142 19002 4307 1 11 . 1 1 27 27 ASP C C 27 178.535 178.535 178.108 0.427 19002 4308 1 11 . 1 1 27 27 ASP CA C 27 57.864 57.864 58.244 -0.380 19002 4309 1 11 . 1 1 27 27 ASP CB C 27 40.797 40.797 40.825 -0.028 19002 4310 1 11 . 1 1 27 27 ASP H H 27 8.135 8.135 8.644 -0.509 19002 4311 1 11 . 1 1 28 28 GLU N N 28 121.020 121.020 120.201 0.819 19002 4312 1 11 . 1 1 28 28 GLU HA H 28 4.101 4.101 3.985 0.116 19002 4313 1 11 . 1 1 28 28 GLU C C 28 178.394 178.394 178.593 -0.199 19002 4314 1 11 . 1 1 28 28 GLU CA C 28 59.450 59.450 59.291 0.160 19002 4315 1 11 . 1 1 28 28 GLU CB C 28 29.231 29.231 29.732 -0.501 19002 4316 1 11 . 1 1 28 28 GLU H H 28 7.655 7.655 7.927 -0.272 19002 4317 1 11 . 1 1 29 29 PHE N N 29 121.567 121.567 120.716 0.851 19002 4318 1 11 . 1 1 29 29 PHE HA H 29 3.765 3.765 3.869 -0.104 19002 4319 1 11 . 1 1 29 29 PHE C C 29 176.169 176.169 177.057 -0.888 19002 4320 1 11 . 1 1 29 29 PHE CA C 29 61.371 61.371 60.457 0.914 19002 4321 1 11 . 1 1 29 29 PHE CB C 29 37.588 37.588 38.298 -0.710 19002 4322 1 11 . 1 1 29 29 PHE H H 29 8.471 8.471 8.259 0.212 19002 4323 1 11 . 1 1 30 30 LYS N N 30 118.916 118.916 119.375 -0.459 19002 4324 1 11 . 1 1 30 30 LYS HA H 30 3.137 3.137 3.311 -0.174 19002 4325 1 11 . 1 1 30 30 LYS C C 30 179.445 179.445 178.858 0.587 19002 4326 1 11 . 1 1 30 30 LYS CA C 30 60.346 60.346 59.892 0.454 19002 4327 1 11 . 1 1 30 30 LYS CB C 30 31.992 31.992 31.902 0.090 19002 4328 1 11 . 1 1 30 30 LYS H H 30 8.287 8.287 8.187 0.100 19002 4329 1 11 . 1 1 31 31 LYS N N 31 120.113 120.113 119.139 0.974 19002 4330 1 11 . 1 1 31 31 LYS HA H 31 4.018 4.018 3.874 0.144 19002 4331 1 11 . 1 1 31 31 LYS C C 31 179.918 179.918 179.281 0.637 19002 4332 1 11 . 1 1 31 31 LYS CA C 31 59.700 59.700 59.568 0.132 19002 4333 1 11 . 1 1 31 31 LYS CB C 31 32.300 32.300 32.190 0.110 19002 4334 1 11 . 1 1 31 31 LYS H H 31 7.690 7.690 8.127 -0.437 19002 4335 1 11 . 1 1 32 32 ARG N N 32 121.200 121.200 118.914 2.286 19002 4336 1 11 . 1 1 32 32 ARG HA H 32 3.893 3.893 3.868 0.025 19002 4337 1 11 . 1 1 32 32 ARG C C 32 178.990 178.990 178.856 0.134 19002 4338 1 11 . 1 1 32 32 ARG CA C 32 59.452 59.452 59.310 0.142 19002 4339 1 11 . 1 1 32 32 ARG CB C 32 31.284 31.284 30.109 1.175 19002 4340 1 11 . 1 1 32 32 ARG H H 32 8.299 8.299 8.386 -0.087 19002 4341 1 11 . 1 1 33 33 ARG N N 33 120.223 120.223 120.280 -0.057 19002 4342 1 11 . 1 1 33 33 ARG HA H 33 3.698 3.698 3.988 -0.290 19002 4343 1 11 . 1 1 33 33 ARG C C 33 178.697 178.697 177.821 0.876 19002 4344 1 11 . 1 1 33 33 ARG CA C 33 59.607 59.607 59.263 0.344 19002 4345 1 11 . 1 1 33 33 ARG CB C 33 29.570 29.570 29.770 -0.200 19002 4346 1 11 . 1 1 33 33 ARG H H 33 8.704 8.704 8.399 0.305 19002 4347 1 11 . 1 1 34 34 GLU N N 34 119.860 119.860 119.509 0.351 19002 4348 1 11 . 1 1 34 34 GLU HA H 34 4.046 4.046 4.003 0.043 19002 4349 1 11 . 1 1 34 34 GLU C C 34 179.850 179.850 179.422 0.428 19002 4350 1 11 . 1 1 34 34 GLU CA C 34 59.210 59.210 59.434 -0.224 19002 4351 1 11 . 1 1 34 34 GLU CB C 34 29.380 29.380 29.294 0.086 19002 4352 1 11 . 1 1 34 34 GLU H H 34 7.941 7.941 8.448 -0.507 19002 4353 1 11 . 1 1 35 35 SER N N 35 115.261 115.261 116.478 -1.217 19002 4354 1 11 . 1 1 35 35 SER HA H 35 4.378 4.378 4.243 0.135 19002 4355 1 11 . 1 1 35 35 SER C C 35 175.339 175.339 175.591 -0.252 19002 4356 1 11 . 1 1 35 35 SER CA C 35 60.068 60.068 60.869 -0.801 19002 4357 1 11 . 1 1 35 35 SER CB C 35 63.321 63.321 62.777 0.544 19002 4358 1 11 . 1 1 35 35 SER H H 35 7.813 7.813 7.859 -0.046 19002 4359 1 11 . 1 1 36 36 ARG N N 36 119.557 119.557 119.334 0.223 19002 4360 1 11 . 1 1 36 36 ARG HA H 36 4.439 4.439 4.461 -0.022 19002 4361 1 11 . 1 1 36 36 ARG C C 36 177.524 177.524 176.074 1.450 19002 4362 1 11 . 1 1 36 36 ARG CA C 36 55.794 55.794 54.908 0.886 19002 4363 1 11 . 1 1 36 36 ARG CB C 36 30.276 30.276 30.079 0.197 19002 4364 1 11 . 1 1 36 36 ARG H H 36 7.459 7.459 7.072 0.387 19002 4365 1 11 . 1 1 37 37 GLY N N 37 109.722 109.722 106.768 2.954 19002 4366 1 11 . 1 1 37 37 GLY C C 37 175.117 175.117 174.976 0.141 19002 4367 1 11 . 1 1 37 37 GLY CA C 37 46.691 46.691 45.593 1.099 19002 4368 1 11 . 1 1 37 37 GLY H H 37 7.981 7.981 8.145 -0.164 19002 4369 1 11 . 1 1 38 38 GLY N N 38 104.904 104.904 106.090 -1.186 19002 4370 1 11 . 1 1 38 38 GLY C C 38 174.489 174.489 175.378 -0.889 19002 4371 1 11 . 1 1 38 38 GLY CA C 38 45.012 45.012 44.980 0.032 19002 4372 1 11 . 1 1 38 38 GLY H H 38 8.271 8.271 8.620 -0.349 19002 4373 1 11 . 1 1 39 39 LYS N N 39 122.169 122.169 123.568 -1.399 19002 4374 1 11 . 1 1 39 39 LYS HA H 39 4.515 4.515 4.347 0.168 19002 4375 1 11 . 1 1 39 39 LYS C C 39 174.995 174.995 175.163 -0.168 19002 4376 1 11 . 1 1 39 39 LYS CA C 39 55.622 55.622 56.077 -0.455 19002 4377 1 11 . 1 1 39 39 LYS CB C 39 30.846 30.846 31.448 -0.602 19002 4378 1 11 . 1 1 39 39 LYS H H 39 7.471 7.471 7.589 -0.118 19002 4379 1 11 . 1 1 40 40 TYR N N 40 123.749 123.749 122.532 1.217 19002 4380 1 11 . 1 1 40 40 TYR HA H 40 4.893 4.893 4.613 0.280 19002 4381 1 11 . 1 1 40 40 TYR C C 40 173.883 173.883 174.077 -0.194 19002 4382 1 11 . 1 1 40 40 TYR CA C 40 58.629 58.629 57.359 1.270 19002 4383 1 11 . 1 1 40 40 TYR CB C 40 40.871 40.871 40.087 0.783 19002 4384 1 11 . 1 1 40 40 TYR H H 40 7.687 7.687 8.225 -0.538 19002 4385 1 11 . 1 1 41 41 SER N N 41 124.561 124.561 121.281 3.280 19002 4386 1 11 . 1 1 41 41 SER HA H 41 5.061 5.061 4.656 0.405 19002 4387 1 11 . 1 1 41 41 SER C C 41 175.258 175.258 175.222 0.036 19002 4388 1 11 . 1 1 41 41 SER CA C 41 56.913 56.913 57.515 -0.602 19002 4389 1 11 . 1 1 41 41 SER CB C 41 67.136 67.136 64.155 2.981 19002 4390 1 11 . 1 1 41 41 SER H H 41 9.246 9.246 8.169 1.077 19002 4391 1 11 . 1 1 42 42 ILE N N 42 122.298 122.298 122.621 -0.323 19002 4392 1 11 . 1 1 42 42 ILE HA H 42 3.384 3.384 3.024 0.360 19002 4393 1 11 . 1 1 42 42 ILE C C 42 176.573 176.573 176.515 0.058 19002 4394 1 11 . 1 1 42 42 ILE CA C 42 63.317 63.317 63.843 -0.526 19002 4395 1 11 . 1 1 42 42 ILE CB C 42 37.290 37.290 37.594 -0.304 19002 4396 1 11 . 1 1 42 42 ILE H H 42 8.848 8.848 8.734 0.114 19002 4397 1 11 . 1 1 43 43 ASP N N 43 118.987 118.987 119.604 -0.617 19002 4398 1 11 . 1 1 43 43 ASP HA H 43 4.317 4.317 4.329 -0.012 19002 4399 1 11 . 1 1 43 43 ASP C C 43 178.940 178.940 178.458 0.482 19002 4400 1 11 . 1 1 43 43 ASP CA C 43 57.809 57.809 58.289 -0.480 19002 4401 1 11 . 1 1 43 43 ASP CB C 43 40.722 40.722 39.288 1.435 19002 4402 1 11 . 1 1 43 43 ASP H H 43 7.673 7.673 8.656 -0.983 19002 4403 1 11 . 1 1 44 44 ASP N N 44 121.961 121.961 118.956 3.005 19002 4404 1 11 . 1 1 44 44 ASP HA H 44 4.259 4.259 4.343 -0.084 19002 4405 1 11 . 1 1 44 44 ASP C C 44 177.564 177.564 178.283 -0.719 19002 4406 1 11 . 1 1 44 44 ASP CA C 44 57.624 57.624 57.540 0.084 19002 4407 1 11 . 1 1 44 44 ASP CB C 44 41.244 41.244 40.264 0.980 19002 4408 1 11 . 1 1 44 44 ASP H H 44 7.610 7.610 8.434 -0.824 19002 4409 1 11 . 1 1 45 45 TYR N N 45 121.352 121.352 121.697 -0.345 19002 4410 1 11 . 1 1 45 45 TYR HA H 45 4.676 4.676 4.507 0.169 19002 4411 1 11 . 1 1 45 45 TYR C C 45 177.362 177.362 177.776 -0.414 19002 4412 1 11 . 1 1 45 45 TYR CA C 45 60.703 60.703 61.031 -0.327 19002 4413 1 11 . 1 1 45 45 TYR CB C 45 38.747 38.747 38.880 -0.133 19002 4414 1 11 . 1 1 45 45 TYR H H 45 7.750 7.750 7.296 0.454 19002 4415 1 11 . 1 1 46 46 LEU N N 46 118.650 118.650 119.709 -1.059 19002 4416 1 11 . 1 1 46 46 LEU HA H 46 3.697 3.697 3.728 -0.031 19002 4417 1 11 . 1 1 46 46 LEU C C 46 179.850 179.850 179.010 0.840 19002 4418 1 11 . 1 1 46 46 LEU CA C 46 57.807 57.807 57.747 0.060 19002 4419 1 11 . 1 1 46 46 LEU CB C 46 41.205 41.205 41.323 -0.118 19002 4420 1 11 . 1 1 46 46 LEU H H 46 8.544 8.544 8.777 -0.233 19002 4421 1 11 . 1 1 47 47 ALA N N 47 121.991 121.991 121.655 0.336 19002 4422 1 11 . 1 1 47 47 ALA HA H 47 4.190 4.190 3.880 0.310 19002 4423 1 11 . 1 1 47 47 ALA C C 47 180.457 180.457 179.525 0.932 19002 4424 1 11 . 1 1 47 47 ALA CA C 47 55.048 55.048 55.374 -0.326 19002 4425 1 11 . 1 1 47 47 ALA CB C 47 18.337 18.337 17.959 0.378 19002 4426 1 11 . 1 1 47 47 ALA H H 47 7.716 7.716 8.384 -0.668 19002 4427 1 11 . 1 1 48 48 ASP N N 48 120.788 120.788 118.075 2.713 19002 4428 1 11 . 1 1 48 48 ASP HA H 48 4.505 4.505 4.312 0.193 19002 4429 1 11 . 1 1 48 48 ASP C C 48 178.596 178.596 178.194 0.402 19002 4430 1 11 . 1 1 48 48 ASP CA C 48 57.361 57.361 57.685 -0.324 19002 4431 1 11 . 1 1 48 48 ASP CB C 48 40.076 40.076 40.900 -0.824 19002 4432 1 11 . 1 1 48 48 ASP H H 48 8.316 8.316 7.599 0.717 19002 4433 1 11 . 1 1 49 49 ARG N N 49 120.274 120.274 120.657 -0.383 19002 4434 1 11 . 1 1 49 49 ARG HA H 49 3.952 3.952 3.730 0.222 19002 4435 1 11 . 1 1 49 49 ARG C C 49 178.454 178.454 178.129 0.325 19002 4436 1 11 . 1 1 49 49 ARG CA C 49 58.133 58.133 59.122 -0.989 19002 4437 1 11 . 1 1 49 49 ARG CB C 49 29.231 29.231 29.967 -0.736 19002 4438 1 11 . 1 1 49 49 ARG H H 49 8.459 8.459 8.271 0.188 19002 4439 1 11 . 1 1 50 50 GLU N N 50 118.834 118.834 117.568 1.266 19002 4440 1 11 . 1 1 50 50 GLU HA H 50 4.101 4.101 4.044 0.057 19002 4441 1 11 . 1 1 50 50 GLU C C 50 178.353 178.353 179.375 -1.022 19002 4442 1 11 . 1 1 50 50 GLU CA C 50 58.928 58.928 58.865 0.063 19002 4443 1 11 . 1 1 50 50 GLU CB C 50 29.530 29.530 28.800 0.730 19002 4444 1 11 . 1 1 50 50 GLU H H 50 7.734 7.734 8.201 -0.467 19002 4445 1 11 . 1 1 51 51 ARG N N 51 119.239 119.239 118.955 0.284 19002 4446 1 11 . 1 1 51 51 ARG HA H 51 4.240 4.240 4.165 0.075 19002 4447 1 11 . 1 1 51 51 ARG C C 51 178.370 178.370 178.613 -0.243 19002 4448 1 11 . 1 1 51 51 ARG CA C 51 58.105 58.105 58.652 -0.547 19002 4449 1 11 . 1 1 51 51 ARG CB C 51 30.649 30.649 30.438 0.211 19002 4450 1 11 . 1 1 51 51 ARG H H 51 7.694 7.694 7.361 0.333 19002 4451 1 11 . 1 1 52 52 GLU N N 52 119.667 119.667 119.338 0.329 19002 4452 1 11 . 1 1 52 52 GLU HA H 52 4.099 4.099 3.995 0.104 19002 4453 1 11 . 1 1 52 52 GLU C C 52 178.370 178.370 179.195 -0.825 19002 4454 1 11 . 1 1 52 52 GLU CA C 52 58.538 58.538 59.177 -0.639 19002 4455 1 11 . 1 1 52 52 GLU CB C 52 29.661 29.661 28.890 0.771 19002 4456 1 11 . 1 1 52 52 GLU H H 52 8.299 8.299 8.476 -0.177 19002 4457 1 11 . 1 1 53 53 GLU N N 53 119.152 119.152 118.152 1.000 19002 4458 1 11 . 1 1 53 53 GLU HA H 53 4.210 4.210 4.031 0.179 19002 4459 1 11 . 1 1 53 53 GLU C C 53 177.740 177.740 179.040 -1.300 19002 4460 1 11 . 1 1 53 53 GLU CA C 53 58.172 58.172 59.428 -1.256 19002 4461 1 11 . 1 1 53 53 GLU CB C 53 29.530 29.530 29.110 0.420 19002 4462 1 11 . 1 1 53 53 GLU H H 53 8.098 8.098 8.428 -0.330 19002 4463 1 11 . 1 1 54 54 GLU N N 54 120.097 120.097 117.550 2.547 19002 4464 1 11 . 1 1 54 54 GLU HA H 54 4.212 4.212 4.396 -0.184 19002 4465 1 11 . 1 1 54 54 GLU C C 54 177.443 177.443 178.293 -0.850 19002 4466 1 11 . 1 1 54 54 GLU CA C 54 58.081 58.081 58.633 -0.552 19002 4467 1 11 . 1 1 54 54 GLU CB C 54 29.788 29.788 29.366 0.423 19002 4468 1 11 . 1 1 54 54 GLU H H 54 7.968 7.968 7.922 0.046 19002 4469 1 11 . 1 1 55 55 LEU N N 55 120.563 120.563 118.642 1.921 19002 4470 1 11 . 1 1 55 55 LEU HA H 55 4.288 4.288 4.268 0.020 19002 4471 1 11 . 1 1 55 55 LEU C C 55 177.735 177.735 178.137 -0.402 19002 4472 1 11 . 1 1 55 55 LEU CA C 55 56.070 56.070 56.559 -0.489 19002 4473 1 11 . 1 1 55 55 LEU CB C 55 42.062 42.062 42.067 -0.005 19002 4474 1 11 . 1 1 55 55 LEU H H 55 7.905 7.905 7.130 0.775 19002 4475 1 11 . 1 1 56 56 LEU N N 56 121.250 121.250 118.763 2.487 19002 4476 1 11 . 1 1 56 56 LEU HA H 56 4.312 4.312 4.271 0.041 19002 4477 1 11 . 1 1 56 56 LEU C C 56 177.726 177.726 177.640 0.086 19002 4478 1 11 . 1 1 56 56 LEU CA C 56 55.979 55.979 56.590 -0.611 19002 4479 1 11 . 1 1 56 56 LEU CB C 56 42.635 42.635 42.882 -0.247 19002 4480 1 11 . 1 1 56 56 LEU H H 56 7.859 7.859 7.816 0.043 19002 4481 1 11 . 1 1 57 57 GLU N N 57 120.632 120.632 118.128 2.504 19002 4482 1 11 . 1 1 57 57 GLU HA H 57 4.283 4.283 4.563 -0.280 19002 4483 1 11 . 1 1 57 57 GLU C C 57 176.553 176.553 175.070 1.483 19002 4484 1 11 . 1 1 57 57 GLU CA C 57 57.076 57.076 54.816 2.260 19002 4485 1 11 . 1 1 57 57 GLU CB C 57 30.052 30.052 32.254 -2.202 19002 4486 1 11 . 1 1 57 57 GLU H H 57 8.153 8.153 7.893 0.260 19002 4487 1 11 . 1 1 58 58 ARG N N 58 121.282 121.282 124.685 -3.403 19002 4488 1 11 . 1 1 58 58 ARG HA H 58 4.372 4.372 4.343 0.029 19002 4489 1 11 . 1 1 58 58 ARG C C 58 176.169 176.169 177.494 -1.325 19002 4490 1 11 . 1 1 58 58 ARG CA C 58 56.344 56.344 56.549 -0.205 19002 4491 1 11 . 1 1 58 58 ARG CB C 58 31.102 31.102 30.449 0.653 19002 4492 1 11 . 1 1 58 58 ARG H H 58 8.146 8.146 8.781 -0.635 19002 4493 1 11 . 1 1 59 59 ASP N N 59 121.619 121.619 124.665 -3.046 19002 4494 1 11 . 1 1 59 59 ASP HA H 59 4.639 4.639 4.492 0.147 19002 4495 1 11 . 1 1 59 59 ASP C C 59 176.553 176.553 176.613 -0.060 19002 4496 1 11 . 1 1 59 59 ASP CA C 59 54.768 54.768 56.672 -1.904 19002 4497 1 11 . 1 1 59 59 ASP CB C 59 41.256 41.256 40.041 1.216 19002 4498 1 11 . 1 1 59 59 ASP H H 59 8.386 8.386 8.876 -0.490 19002 4499 1 11 . 1 1 60 60 GLU N N 60 121.214 121.214 118.200 3.014 19002 4500 1 11 . 1 1 60 60 GLU HA H 60 4.273 4.273 4.146 0.127 19002 4501 1 11 . 1 1 60 60 GLU C C 60 176.876 176.876 176.573 0.303 19002 4502 1 11 . 1 1 60 60 GLU CA C 60 57.361 57.361 57.433 -0.072 19002 4503 1 11 . 1 1 60 60 GLU CB C 60 30.425 30.425 29.185 1.240 19002 4504 1 11 . 1 1 60 60 GLU H H 60 8.372 8.372 8.324 0.048 19002 4505 1 11 . 1 1 61 61 GLU N N 61 121.077 121.077 119.182 1.895 19002 4506 1 11 . 1 1 61 61 GLU HA H 61 4.210 4.210 4.170 0.040 19002 4507 1 11 . 1 1 61 61 GLU C C 61 176.832 176.832 176.959 -0.127 19002 4508 1 11 . 1 1 61 61 GLU CA C 61 57.734 57.734 58.738 -1.004 19002 4509 1 11 . 1 1 61 61 GLU CB C 61 30.425 30.425 30.499 -0.074 19002 4510 1 11 . 1 1 61 61 GLU H H 61 8.384 8.384 7.828 0.556 19002 4511 1 11 . 1 1 62 62 GLU N N 62 121.155 121.155 116.165 4.990 19002 4512 1 11 . 1 1 62 62 GLU HA H 62 4.249 4.249 4.540 -0.291 19002 4513 1 11 . 1 1 62 62 GLU C C 62 176.432 176.432 174.606 1.826 19002 4514 1 11 . 1 1 62 62 GLU CA C 62 57.137 57.137 57.222 -0.085 19002 4515 1 11 . 1 1 62 62 GLU CB C 62 30.425 30.425 31.519 -1.094 19002 4516 1 11 . 1 1 62 62 GLU H H 62 8.300 8.300 8.186 0.114 19002 4517 1 11 . 1 1 63 63 ALA N N 63 124.607 124.607 122.549 2.058 19002 4518 1 11 . 1 1 63 63 ALA HA H 63 4.293 4.293 4.755 -0.462 19002 4519 1 11 . 1 1 63 63 ALA C C 63 177.483 177.483 176.447 1.036 19002 4520 1 11 . 1 1 63 63 ALA CA C 63 52.915 52.915 51.935 0.980 19002 4521 1 11 . 1 1 63 63 ALA CB C 63 19.070 19.070 18.088 0.982 19002 4522 1 11 . 1 1 63 63 ALA H H 63 8.178 8.178 8.542 -0.364 19002 4523 1 11 . 1 1 64 64 ILE N N 64 118.941 118.941 123.013 -4.072 19002 4524 1 11 . 1 1 64 64 ILE HA H 64 4.076 4.076 4.268 -0.192 19002 4525 1 11 . 1 1 64 64 ILE C C 64 176.047 176.047 175.621 0.426 19002 4526 1 11 . 1 1 64 64 ILE CA C 64 61.342 61.342 60.771 0.571 19002 4527 1 11 . 1 1 64 64 ILE CB C 64 38.700 38.700 39.910 -1.210 19002 4528 1 11 . 1 1 64 64 ILE H H 64 7.872 7.872 8.183 -0.311 19002 4529 1 11 . 1 1 65 65 PHE N N 65 122.809 122.809 119.250 3.559 19002 4530 1 11 . 1 1 65 65 PHE HA H 65 4.615 4.615 4.649 -0.034 19002 4531 1 11 . 1 1 65 65 PHE C C 65 176.270 176.270 176.892 -0.622 19002 4532 1 11 . 1 1 65 65 PHE CA C 65 57.807 57.807 57.402 0.405 19002 4533 1 11 . 1 1 65 65 PHE CB C 65 39.827 39.827 39.625 0.202 19002 4534 1 11 . 1 1 65 65 PHE H H 65 8.188 8.188 8.189 -0.001 19002 4535 1 11 . 1 1 66 66 GLY N N 66 110.278 110.278 108.983 1.295 19002 4536 1 11 . 1 1 66 66 GLY C C 66 173.802 173.802 174.160 -0.358 19002 4537 1 11 . 1 1 66 66 GLY CA C 66 45.391 45.391 46.072 -0.681 19002 4538 1 11 . 1 1 66 66 GLY H H 66 8.213 8.213 8.589 -0.376 19002 4539 1 11 . 1 1 67 67 ASP N N 67 120.510 120.510 123.598 -3.088 19002 4540 1 11 . 1 1 67 67 ASP HA H 67 4.599 4.599 4.593 0.006 19002 4541 1 11 . 1 1 67 67 ASP C C 67 176.897 176.897 175.710 1.187 19002 4542 1 11 . 1 1 67 67 ASP CA C 67 54.425 54.425 53.562 0.863 19002 4543 1 11 . 1 1 67 67 ASP CB C 67 41.265 41.265 41.426 -0.161 19002 4544 1 11 . 1 1 67 67 ASP H H 67 8.254 8.254 8.390 -0.136 19002 4545 1 11 . 1 1 68 68 GLY N N 68 108.789 108.789 109.405 -0.616 19002 4546 1 11 . 1 1 68 68 GLY C C 68 174.307 174.307 172.754 1.553 19002 4547 1 11 . 1 1 68 68 GLY CA C 68 46.020 46.020 44.946 1.074 19002 4548 1 11 . 1 1 68 68 GLY H H 68 8.342 8.342 7.459 0.883 19002 4549 1 11 . 1 1 69 69 PHE N N 69 119.903 119.903 120.500 -0.597 19002 4550 1 11 . 1 1 69 69 PHE HA H 69 4.599 4.599 5.309 -0.710 19002 4551 1 11 . 1 1 69 69 PHE C C 69 176.432 176.432 176.007 0.425 19002 4552 1 11 . 1 1 69 69 PHE CA C 69 58.146 58.146 53.952 4.194 19002 4553 1 11 . 1 1 69 69 PHE CB C 69 39.339 39.339 37.133 2.206 19002 4554 1 11 . 1 1 69 69 PHE H H 69 8.178 8.178 8.152 0.026 19002 4555 1 11 . 1 1 70 70 GLY N N 70 110.089 110.089 110.134 -0.045 19002 4556 1 11 . 1 1 70 70 GLY C C 70 174.227 174.227 174.053 0.174 19002 4557 1 11 . 1 1 70 70 GLY CA C 70 45.628 45.628 45.044 0.584 19002 4558 1 11 . 1 1 70 70 GLY H H 70 8.382 8.382 7.988 0.394 19002 4559 1 11 . 1 1 71 71 LEU N N 71 121.600 121.600 119.277 2.323 19002 4560 1 11 . 1 1 71 71 LEU HA H 71 4.290 4.290 4.596 -0.306 19002 4561 1 11 . 1 1 71 71 LEU C C 71 177.645 177.645 178.305 -0.660 19002 4562 1 11 . 1 1 71 71 LEU CA C 71 55.500 55.500 52.946 2.554 19002 4563 1 11 . 1 1 71 71 LEU CB C 71 42.400 42.400 43.463 -1.063 19002 4564 1 11 . 1 1 71 71 LEU H H 71 8.069 8.069 7.829 0.240 19002 4565 1 11 . 1 1 72 72 LYS N N 72 121.214 121.214 119.782 1.432 19002 4566 1 11 . 1 1 72 72 LYS HA H 72 4.283 4.283 4.160 0.123 19002 4567 1 11 . 1 1 72 72 LYS C C 72 176.553 176.553 176.944 -0.391 19002 4568 1 11 . 1 1 72 72 LYS CA C 72 56.594 56.594 58.614 -2.020 19002 4569 1 11 . 1 1 72 72 LYS CB C 72 32.765 32.765 32.133 0.631 19002 4570 1 11 . 1 1 72 72 LYS H H 72 8.372 8.372 8.664 -0.292 19002 4571 1 11 . 1 1 73 73 ALA N N 73 124.187 124.187 120.277 3.910 19002 4572 1 11 . 1 1 73 73 ALA HA H 73 4.347 4.347 4.355 -0.008 19002 4573 1 11 . 1 1 73 73 ALA C C 73 178.009 178.009 177.882 0.127 19002 4574 1 11 . 1 1 73 73 ALA CA C 73 52.597 52.597 53.374 -0.777 19002 4575 1 11 . 1 1 73 73 ALA CB C 73 19.239 19.239 19.059 0.180 19002 4576 1 11 . 1 1 73 73 ALA H H 73 8.188 8.188 7.878 0.310 19002 4577 1 11 . 1 1 74 74 THR N N 74 112.973 112.973 112.395 0.578 19002 4578 1 11 . 1 1 74 74 THR HA H 74 4.339 4.339 4.688 -0.349 19002 4579 1 11 . 1 1 74 74 THR C C 74 174.753 174.753 174.910 -0.157 19002 4580 1 11 . 1 1 74 74 THR CA C 74 62.046 62.046 60.325 1.721 19002 4581 1 11 . 1 1 74 74 THR CB C 74 69.779 69.779 68.616 1.163 19002 4582 1 11 . 1 1 74 74 THR H H 74 8.054 8.054 7.654 0.400 19002 4583 1 11 . 1 1 75 75 ARG N N 75 123.112 123.112 124.344 -1.232 19002 4584 1 11 . 1 1 75 75 ARG HA H 75 4.371 4.371 4.170 0.201 19002 4585 1 11 . 1 1 75 75 ARG C C 75 176.411 176.411 176.824 -0.413 19002 4586 1 11 . 1 1 75 75 ARG CA C 75 56.801 56.801 57.787 -0.986 19002 4587 1 11 . 1 1 75 75 ARG CB C 75 30.798 30.798 30.126 0.672 19002 4588 1 11 . 1 1 75 75 ARG H H 75 8.296 8.296 8.399 -0.103 19002 4589 1 11 . 1 1 76 76 ARG N N 76 121.977 121.977 117.216 4.761 19002 4590 1 11 . 1 1 76 76 ARG HA H 76 4.362 4.362 4.198 0.164 19002 4591 1 11 . 1 1 76 76 ARG C C 76 176.411 176.411 176.646 -0.235 19002 4592 1 11 . 1 1 76 76 ARG CA C 76 56.689 56.689 57.085 -0.396 19002 4593 1 11 . 1 1 76 76 ARG CB C 76 30.873 30.873 29.654 1.219 19002 4594 1 11 . 1 1 76 76 ARG H H 76 8.360 8.360 8.020 0.340 19002 4595 1 11 . 1 1 77 77 SER N N 77 116.981 116.981 117.429 -0.448 19002 4596 1 11 . 1 1 77 77 SER HA H 77 4.483 4.483 4.354 0.129 19002 4597 1 11 . 1 1 77 77 SER C C 77 174.672 174.672 174.500 0.172 19002 4598 1 11 . 1 1 77 77 SER CA C 77 58.497 58.497 59.887 -1.390 19002 4599 1 11 . 1 1 77 77 SER CB C 77 63.839 63.839 62.967 0.872 19002 4600 1 11 . 1 1 77 77 SER H H 77 8.325 8.325 7.725 0.600 19002 4601 1 11 . 1 1 78 78 ARG N N 78 123.324 123.324 125.083 -1.759 19002 4602 1 11 . 1 1 78 78 ARG HA H 78 4.377 4.377 4.481 -0.104 19002 4603 1 11 . 1 1 78 78 ARG C C 78 176.492 176.492 176.876 -0.384 19002 4604 1 11 . 1 1 78 78 ARG CA C 78 56.619 56.619 56.236 0.383 19002 4605 1 11 . 1 1 78 78 ARG CB C 78 30.873 30.873 31.350 -0.477 19002 4606 1 11 . 1 1 78 78 ARG H H 78 8.421 8.421 8.274 0.147 19002 4607 1 11 . 1 1 79 79 LYS N N 79 122.352 122.352 118.327 4.025 19002 4608 1 11 . 1 1 79 79 LYS HA H 79 4.266 4.266 4.763 -0.497 19002 4609 1 11 . 1 1 79 79 LYS C C 79 176.472 176.472 174.928 1.544 19002 4610 1 11 . 1 1 79 79 LYS CA C 79 57.076 57.076 55.484 1.592 19002 4611 1 11 . 1 1 79 79 LYS CB C 79 33.186 33.186 33.072 0.114 19002 4612 1 11 . 1 1 79 79 LYS H H 79 8.300 8.300 8.011 0.289 19002 4613 1 11 . 1 1 80 80 ALA N N 80 124.816 124.816 124.020 0.796 19002 4614 1 11 . 1 1 80 80 ALA HA H 80 4.308 4.308 4.287 0.021 19002 4615 1 11 . 1 1 80 80 ALA C C 80 177.787 177.787 178.260 -0.473 19002 4616 1 11 . 1 1 80 80 ALA CA C 80 52.597 52.597 53.097 -0.500 19002 4617 1 11 . 1 1 80 80 ALA CB C 80 19.180 19.180 18.571 0.609 19002 4618 1 11 . 1 1 80 80 ALA H H 80 8.269 8.269 7.825 0.444 19002 4619 1 11 . 1 1 81 81 GLU N N 81 120.243 120.243 123.180 -2.937 19002 4620 1 11 . 1 1 81 81 GLU HA H 81 4.278 4.278 3.882 0.396 19002 4621 1 11 . 1 1 81 81 GLU C C 81 176.614 176.614 176.462 0.152 19002 4622 1 11 . 1 1 81 81 GLU CA C 81 56.893 56.893 58.683 -1.790 19002 4623 1 11 . 1 1 81 81 GLU CB C 81 30.374 30.374 28.990 1.384 19002 4624 1 11 . 1 1 81 81 GLU H H 81 8.283 8.283 9.066 -0.783 19002 4625 1 11 . 1 1 82 82 ARG N N 82 121.743 121.743 122.543 -0.800 19002 4626 1 11 . 1 1 82 82 ARG HA H 82 4.378 4.378 4.320 0.058 19002 4627 1 11 . 1 1 82 82 ARG C C 82 175.946 175.946 175.552 0.394 19002 4628 1 11 . 1 1 82 82 ARG CA C 82 56.047 56.047 55.201 0.846 19002 4629 1 11 . 1 1 82 82 ARG CB C 82 30.757 30.757 29.359 1.398 19002 4630 1 11 . 1 1 82 82 ARG H H 82 8.256 8.256 8.131 0.125 19002 4631 1 11 . 1 1 83 83 ALA N N 83 125.049 125.049 128.167 -3.118 19002 4632 1 11 . 1 1 83 83 ALA HA H 83 4.313 4.313 4.563 -0.250 19002 4633 1 11 . 1 1 83 83 ALA C C 83 177.322 177.322 176.730 0.592 19002 4634 1 11 . 1 1 83 83 ALA CA C 83 52.872 52.872 52.349 0.523 19002 4635 1 11 . 1 1 83 83 ALA CB C 83 19.239 19.239 20.117 -0.878 19002 4636 1 11 . 1 1 83 83 ALA H H 83 8.241 8.241 8.096 0.145 19002 4637 1 11 . 1 1 84 84 LYS N N 84 121.088 121.088 120.094 0.994 19002 4638 1 11 . 1 1 84 84 LYS HA H 84 4.286 4.286 4.772 -0.486 19002 4639 1 11 . 1 1 84 84 LYS C C 84 175.460 175.460 175.583 -0.123 19002 4640 1 11 . 1 1 84 84 LYS CA C 84 56.316 56.316 55.991 0.325 19002 4641 1 11 . 1 1 84 84 LYS CB C 84 32.923 32.923 32.940 -0.017 19002 4642 1 11 . 1 1 84 84 LYS H H 84 8.186 8.186 8.296 -0.110 19002 4643 1 12 . 1 1 12 12 ARG N N 12 121.400 121.400 122.554 -1.154 19002 4644 1 12 . 1 1 12 12 ARG HA H 12 4.640 4.640 4.816 -0.176 19002 4645 1 12 . 1 1 12 12 ARG C C 12 174.242 174.242 174.039 0.203 19002 4646 1 12 . 1 1 12 12 ARG CA C 12 53.900 53.900 54.410 -0.510 19002 4647 1 12 . 1 1 12 12 ARG CB C 12 30.400 30.400 30.868 -0.468 19002 4648 1 12 . 1 1 12 12 ARG H H 12 8.140 8.140 8.332 -0.192 19002 4649 1 12 . 1 1 13 13 PRO HA H 13 4.457 4.457 4.554 -0.097 19002 4650 1 12 . 1 1 13 13 PRO C C 13 177.524 177.524 177.135 0.389 19002 4651 1 12 . 1 1 13 13 PRO CA C 13 63.259 63.259 62.586 0.673 19002 4652 1 12 . 1 1 13 13 PRO CB C 13 32.067 32.067 32.772 -0.705 19002 4653 1 12 . 1 1 14 14 GLY N N 14 109.192 109.192 111.835 -2.643 19002 4654 1 12 . 1 1 14 14 GLY C C 14 174.227 174.227 175.646 -1.419 19002 4655 1 12 . 1 1 14 14 GLY CA C 14 45.497 45.497 45.614 -0.117 19002 4656 1 12 . 1 1 14 14 GLY H H 14 8.467 8.467 8.656 -0.189 19002 4657 1 12 . 1 1 15 15 VAL N N 15 119.157 119.157 118.603 0.554 19002 4658 1 12 . 1 1 15 15 VAL HA H 15 4.081 4.081 3.864 0.217 19002 4659 1 12 . 1 1 15 15 VAL C C 15 175.986 175.986 176.040 -0.054 19002 4660 1 12 . 1 1 15 15 VAL CA C 15 62.529 62.529 64.957 -2.428 19002 4661 1 12 . 1 1 15 15 VAL CB C 15 32.491 32.491 32.125 0.366 19002 4662 1 12 . 1 1 15 15 VAL H H 15 7.837 7.837 8.055 -0.218 19002 4663 1 12 . 1 1 16 16 PHE N N 16 123.110 123.110 118.615 4.495 19002 4664 1 12 . 1 1 16 16 PHE HA H 16 4.614 4.614 4.698 -0.084 19002 4665 1 12 . 1 1 16 16 PHE C C 16 175.804 175.804 174.854 0.950 19002 4666 1 12 . 1 1 16 16 PHE CA C 16 58.398 58.398 57.743 0.655 19002 4667 1 12 . 1 1 16 16 PHE CB C 16 39.475 39.475 40.560 -1.085 19002 4668 1 12 . 1 1 16 16 PHE H H 16 8.265 8.265 7.642 0.623 19002 4669 1 12 . 1 1 17 17 ARG N N 17 122.074 122.074 118.453 3.621 19002 4670 1 12 . 1 1 17 17 ARG HA H 17 4.323 4.323 4.199 0.124 19002 4671 1 12 . 1 1 17 17 ARG C C 17 176.452 176.452 176.168 0.284 19002 4672 1 12 . 1 1 17 17 ARG CA C 17 56.710 56.710 56.493 0.217 19002 4673 1 12 . 1 1 17 17 ARG CB C 17 30.937 30.937 28.313 2.624 19002 4674 1 12 . 1 1 17 17 ARG H H 17 8.155 8.155 8.125 0.030 19002 4675 1 12 . 1 1 18 18 THR N N 18 114.223 114.223 112.812 1.411 19002 4676 1 12 . 1 1 18 18 THR HA H 18 4.231 4.231 4.244 -0.013 19002 4677 1 12 . 1 1 18 18 THR C C 18 174.348 174.348 175.471 -1.123 19002 4678 1 12 . 1 1 18 18 THR CA C 18 62.410 62.410 64.611 -2.201 19002 4679 1 12 . 1 1 18 18 THR CB C 18 69.509 69.509 69.338 0.171 19002 4680 1 12 . 1 1 18 18 THR H H 18 8.015 8.015 8.252 -0.236 19002 4681 1 12 . 1 1 19 19 ARG N N 19 120.957 120.957 120.875 0.082 19002 4682 1 12 . 1 1 19 19 ARG HA H 19 4.323 4.323 3.860 0.463 19002 4683 1 12 . 1 1 19 19 ARG C C 19 175.986 175.986 175.657 0.329 19002 4684 1 12 . 1 1 19 19 ARG CA C 19 56.093 56.093 58.449 -2.356 19002 4685 1 12 . 1 1 19 19 ARG CB C 19 30.480 30.480 29.340 1.140 19002 4686 1 12 . 1 1 19 19 ARG H H 19 8.080 8.080 8.665 -0.585 19002 4687 1 12 . 1 1 20 20 GLY N N 20 107.963 107.963 104.186 3.777 19002 4688 1 12 . 1 1 20 20 GLY C C 20 173.802 173.802 173.082 0.720 19002 4689 1 12 . 1 1 20 20 GLY CA C 20 45.273 45.273 44.987 0.286 19002 4690 1 12 . 1 1 20 20 GLY H H 20 8.241 8.241 8.367 -0.126 19002 4691 1 12 . 1 1 21 21 LEU N N 21 121.181 121.181 123.178 -1.997 19002 4692 1 12 . 1 1 21 21 LEU HA H 21 4.770 4.770 4.497 0.273 19002 4693 1 12 . 1 1 21 21 LEU C C 21 178.414 178.414 177.209 1.205 19002 4694 1 12 . 1 1 21 21 LEU CA C 21 54.677 54.677 55.246 -0.569 19002 4695 1 12 . 1 1 21 21 LEU CB C 21 43.142 43.142 42.193 0.949 19002 4696 1 12 . 1 1 21 21 LEU H H 21 7.967 7.967 7.658 0.309 19002 4697 1 12 . 1 1 22 22 THR N N 22 114.494 114.494 117.021 -2.527 19002 4698 1 12 . 1 1 22 22 THR HA H 22 4.558 4.558 4.394 0.164 19002 4699 1 12 . 1 1 22 22 THR C C 22 175.359 175.359 175.226 0.133 19002 4700 1 12 . 1 1 22 22 THR CA C 22 61.316 61.316 60.782 0.534 19002 4701 1 12 . 1 1 22 22 THR CB C 22 71.015 71.015 70.049 0.966 19002 4702 1 12 . 1 1 22 22 THR H H 22 9.075 9.075 8.132 0.944 19002 4703 1 12 . 1 1 23 23 ASP N N 23 121.204 121.204 120.175 1.029 19002 4704 1 12 . 1 1 23 23 ASP HA H 23 4.485 4.485 4.354 0.131 19002 4705 1 12 . 1 1 23 23 ASP C C 23 178.697 178.697 178.354 0.343 19002 4706 1 12 . 1 1 23 23 ASP CA C 23 58.315 58.315 58.448 -0.133 19002 4707 1 12 . 1 1 23 23 ASP CB C 23 39.931 39.931 40.650 -0.719 19002 4708 1 12 . 1 1 23 23 ASP H H 23 8.943 8.943 8.752 0.191 19002 4709 1 12 . 1 1 24 24 GLU N N 24 119.241 119.241 118.228 1.013 19002 4710 1 12 . 1 1 24 24 GLU HA H 24 4.199 4.199 4.182 0.017 19002 4711 1 12 . 1 1 24 24 GLU C C 24 179.911 179.911 178.778 1.133 19002 4712 1 12 . 1 1 24 24 GLU CA C 24 59.973 59.973 59.064 0.909 19002 4713 1 12 . 1 1 24 24 GLU CB C 24 29.306 29.306 29.301 0.005 19002 4714 1 12 . 1 1 24 24 GLU H H 24 8.741 8.741 8.704 0.037 19002 4715 1 12 . 1 1 25 25 GLU N N 25 121.151 121.151 121.283 -0.132 19002 4716 1 12 . 1 1 25 25 GLU HA H 25 4.200 4.200 4.265 -0.065 19002 4717 1 12 . 1 1 25 25 GLU C C 25 178.394 178.394 178.946 -0.552 19002 4718 1 12 . 1 1 25 25 GLU CA C 25 59.178 59.178 58.855 0.323 19002 4719 1 12 . 1 1 25 25 GLU CB C 25 30.873 30.873 29.592 1.281 19002 4720 1 12 . 1 1 25 25 GLU H H 25 7.801 7.801 7.711 0.090 19002 4721 1 12 . 1 1 26 26 TYR N N 26 120.692 120.692 120.723 -0.031 19002 4722 1 12 . 1 1 26 26 TYR HA H 26 4.184 4.184 4.181 0.003 19002 4723 1 12 . 1 1 26 26 TYR C C 26 177.483 177.483 177.645 -0.162 19002 4724 1 12 . 1 1 26 26 TYR CA C 26 61.924 61.924 61.508 0.416 19002 4725 1 12 . 1 1 26 26 TYR CB C 26 37.837 37.837 38.675 -0.838 19002 4726 1 12 . 1 1 26 26 TYR H H 26 8.897 8.897 8.815 0.082 19002 4727 1 12 . 1 1 27 27 ASP N N 27 118.898 118.898 119.545 -0.647 19002 4728 1 12 . 1 1 27 27 ASP HA H 27 4.338 4.338 4.306 0.032 19002 4729 1 12 . 1 1 27 27 ASP C C 27 178.535 178.535 178.182 0.353 19002 4730 1 12 . 1 1 27 27 ASP CA C 27 57.864 57.864 57.879 -0.015 19002 4731 1 12 . 1 1 27 27 ASP CB C 27 40.797 40.797 40.763 0.034 19002 4732 1 12 . 1 1 27 27 ASP H H 27 8.135 8.135 8.128 0.007 19002 4733 1 12 . 1 1 28 28 GLU N N 28 121.020 121.020 120.826 0.194 19002 4734 1 12 . 1 1 28 28 GLU HA H 28 4.101 4.101 4.055 0.046 19002 4735 1 12 . 1 1 28 28 GLU C C 28 178.394 178.394 178.547 -0.153 19002 4736 1 12 . 1 1 28 28 GLU CA C 28 59.450 59.450 59.028 0.422 19002 4737 1 12 . 1 1 28 28 GLU CB C 28 29.231 29.231 29.376 -0.145 19002 4738 1 12 . 1 1 28 28 GLU H H 28 7.655 7.655 8.053 -0.398 19002 4739 1 12 . 1 1 29 29 PHE N N 29 121.567 121.567 120.338 1.229 19002 4740 1 12 . 1 1 29 29 PHE HA H 29 3.765 3.765 3.935 -0.170 19002 4741 1 12 . 1 1 29 29 PHE C C 29 176.169 176.169 177.179 -1.010 19002 4742 1 12 . 1 1 29 29 PHE CA C 29 61.371 61.371 61.104 0.267 19002 4743 1 12 . 1 1 29 29 PHE CB C 29 37.588 37.588 38.532 -0.944 19002 4744 1 12 . 1 1 29 29 PHE H H 29 8.471 8.471 8.408 0.063 19002 4745 1 12 . 1 1 30 30 LYS N N 30 118.916 118.916 119.697 -0.781 19002 4746 1 12 . 1 1 30 30 LYS HA H 30 3.137 3.137 3.486 -0.349 19002 4747 1 12 . 1 1 30 30 LYS C C 30 179.445 179.445 178.807 0.638 19002 4748 1 12 . 1 1 30 30 LYS CA C 30 60.346 60.346 60.099 0.247 19002 4749 1 12 . 1 1 30 30 LYS CB C 30 31.992 31.992 32.082 -0.090 19002 4750 1 12 . 1 1 30 30 LYS H H 30 8.287 8.287 8.275 0.012 19002 4751 1 12 . 1 1 31 31 LYS N N 31 120.113 120.113 118.921 1.192 19002 4752 1 12 . 1 1 31 31 LYS HA H 31 4.018 4.018 3.866 0.152 19002 4753 1 12 . 1 1 31 31 LYS C C 31 179.918 179.918 179.126 0.792 19002 4754 1 12 . 1 1 31 31 LYS CA C 31 59.700 59.700 59.973 -0.273 19002 4755 1 12 . 1 1 31 31 LYS CB C 31 32.300 32.300 32.247 0.053 19002 4756 1 12 . 1 1 31 31 LYS H H 31 7.690 7.690 8.318 -0.628 19002 4757 1 12 . 1 1 32 32 ARG N N 32 121.200 121.200 118.467 2.733 19002 4758 1 12 . 1 1 32 32 ARG HA H 32 3.893 3.893 3.794 0.099 19002 4759 1 12 . 1 1 32 32 ARG C C 32 178.990 178.990 178.690 0.300 19002 4760 1 12 . 1 1 32 32 ARG CA C 32 59.452 59.452 59.646 -0.194 19002 4761 1 12 . 1 1 32 32 ARG CB C 32 31.284 31.284 30.031 1.253 19002 4762 1 12 . 1 1 32 32 ARG H H 32 8.299 8.299 8.378 -0.079 19002 4763 1 12 . 1 1 33 33 ARG N N 33 120.223 120.223 120.165 0.058 19002 4764 1 12 . 1 1 33 33 ARG HA H 33 3.698 3.698 3.928 -0.230 19002 4765 1 12 . 1 1 33 33 ARG C C 33 178.697 178.697 177.863 0.834 19002 4766 1 12 . 1 1 33 33 ARG CA C 33 59.607 59.607 59.163 0.445 19002 4767 1 12 . 1 1 33 33 ARG CB C 33 29.570 29.570 29.761 -0.191 19002 4768 1 12 . 1 1 33 33 ARG H H 33 8.704 8.704 8.398 0.306 19002 4769 1 12 . 1 1 34 34 GLU N N 34 119.860 119.860 118.923 0.937 19002 4770 1 12 . 1 1 34 34 GLU HA H 34 4.046 4.046 3.975 0.071 19002 4771 1 12 . 1 1 34 34 GLU C C 34 179.850 179.850 179.183 0.667 19002 4772 1 12 . 1 1 34 34 GLU CA C 34 59.210 59.210 59.408 -0.198 19002 4773 1 12 . 1 1 34 34 GLU CB C 34 29.380 29.380 29.285 0.095 19002 4774 1 12 . 1 1 34 34 GLU H H 34 7.941 7.941 8.547 -0.606 19002 4775 1 12 . 1 1 35 35 SER N N 35 115.261 115.261 115.762 -0.501 19002 4776 1 12 . 1 1 35 35 SER HA H 35 4.378 4.378 4.213 0.165 19002 4777 1 12 . 1 1 35 35 SER C C 35 175.339 175.339 176.271 -0.932 19002 4778 1 12 . 1 1 35 35 SER CA C 35 60.068 60.068 60.750 -0.682 19002 4779 1 12 . 1 1 35 35 SER CB C 35 63.321 63.321 63.166 0.155 19002 4780 1 12 . 1 1 35 35 SER H H 35 7.813 7.813 7.665 0.148 19002 4781 1 12 . 1 1 36 36 ARG N N 36 119.557 119.557 119.898 -0.341 19002 4782 1 12 . 1 1 36 36 ARG HA H 36 4.439 4.439 4.394 0.045 19002 4783 1 12 . 1 1 36 36 ARG C C 36 177.524 177.524 175.850 1.674 19002 4784 1 12 . 1 1 36 36 ARG CA C 36 55.794 55.794 54.906 0.888 19002 4785 1 12 . 1 1 36 36 ARG CB C 36 30.276 30.276 30.074 0.202 19002 4786 1 12 . 1 1 36 36 ARG H H 36 7.459 7.459 7.403 0.056 19002 4787 1 12 . 1 1 37 37 GLY N N 37 109.722 109.722 106.416 3.306 19002 4788 1 12 . 1 1 37 37 GLY C C 37 175.117 175.117 175.354 -0.237 19002 4789 1 12 . 1 1 37 37 GLY CA C 37 46.691 46.691 45.492 1.199 19002 4790 1 12 . 1 1 37 37 GLY H H 37 7.981 7.981 7.766 0.215 19002 4791 1 12 . 1 1 38 38 GLY N N 38 104.904 104.904 106.882 -1.978 19002 4792 1 12 . 1 1 38 38 GLY C C 38 174.489 174.489 175.380 -0.891 19002 4793 1 12 . 1 1 38 38 GLY CA C 38 45.012 45.012 44.960 0.052 19002 4794 1 12 . 1 1 38 38 GLY H H 38 8.271 8.271 8.703 -0.432 19002 4795 1 12 . 1 1 39 39 LYS N N 39 122.169 122.169 123.395 -1.226 19002 4796 1 12 . 1 1 39 39 LYS HA H 39 4.515 4.515 4.355 0.160 19002 4797 1 12 . 1 1 39 39 LYS C C 39 174.995 174.995 175.141 -0.146 19002 4798 1 12 . 1 1 39 39 LYS CA C 39 55.622 55.622 55.785 -0.163 19002 4799 1 12 . 1 1 39 39 LYS CB C 39 30.846 30.846 31.416 -0.570 19002 4800 1 12 . 1 1 39 39 LYS H H 39 7.471 7.471 7.583 -0.112 19002 4801 1 12 . 1 1 40 40 TYR N N 40 123.749 123.749 122.999 0.750 19002 4802 1 12 . 1 1 40 40 TYR HA H 40 4.893 4.893 4.598 0.295 19002 4803 1 12 . 1 1 40 40 TYR C C 40 173.883 173.883 173.479 0.404 19002 4804 1 12 . 1 1 40 40 TYR CA C 40 58.629 58.629 56.379 2.250 19002 4805 1 12 . 1 1 40 40 TYR CB C 40 40.871 40.871 40.252 0.619 19002 4806 1 12 . 1 1 40 40 TYR H H 40 7.687 7.687 8.078 -0.391 19002 4807 1 12 . 1 1 41 41 SER N N 41 124.561 124.561 121.408 3.153 19002 4808 1 12 . 1 1 41 41 SER HA H 41 5.061 5.061 4.510 0.551 19002 4809 1 12 . 1 1 41 41 SER C C 41 175.258 175.258 174.854 0.404 19002 4810 1 12 . 1 1 41 41 SER CA C 41 56.913 56.913 57.261 -0.348 19002 4811 1 12 . 1 1 41 41 SER CB C 41 67.136 67.136 65.111 2.025 19002 4812 1 12 . 1 1 41 41 SER H H 41 9.246 9.246 8.282 0.964 19002 4813 1 12 . 1 1 42 42 ILE N N 42 122.298 122.298 121.519 0.779 19002 4814 1 12 . 1 1 42 42 ILE HA H 42 3.384 3.384 3.388 -0.004 19002 4815 1 12 . 1 1 42 42 ILE C C 42 176.573 176.573 176.837 -0.264 19002 4816 1 12 . 1 1 42 42 ILE CA C 42 63.317 63.317 64.102 -0.785 19002 4817 1 12 . 1 1 42 42 ILE CB C 42 37.290 37.290 37.944 -0.654 19002 4818 1 12 . 1 1 42 42 ILE H H 42 8.848 8.848 8.737 0.111 19002 4819 1 12 . 1 1 43 43 ASP N N 43 118.987 118.987 119.488 -0.501 19002 4820 1 12 . 1 1 43 43 ASP HA H 43 4.317 4.317 4.230 0.087 19002 4821 1 12 . 1 1 43 43 ASP C C 43 178.940 178.940 178.099 0.841 19002 4822 1 12 . 1 1 43 43 ASP CA C 43 57.809 57.809 58.593 -0.784 19002 4823 1 12 . 1 1 43 43 ASP CB C 43 40.722 40.722 39.880 0.842 19002 4824 1 12 . 1 1 43 43 ASP H H 43 7.673 7.673 8.472 -0.799 19002 4825 1 12 . 1 1 44 44 ASP N N 44 121.961 121.961 119.866 2.095 19002 4826 1 12 . 1 1 44 44 ASP HA H 44 4.259 4.259 4.394 -0.135 19002 4827 1 12 . 1 1 44 44 ASP C C 44 177.564 177.564 178.275 -0.711 19002 4828 1 12 . 1 1 44 44 ASP CA C 44 57.624 57.624 57.136 0.488 19002 4829 1 12 . 1 1 44 44 ASP CB C 44 41.244 41.244 40.878 0.366 19002 4830 1 12 . 1 1 44 44 ASP H H 44 7.610 7.610 7.693 -0.083 19002 4831 1 12 . 1 1 45 45 TYR N N 45 121.352 121.352 121.514 -0.162 19002 4832 1 12 . 1 1 45 45 TYR HA H 45 4.676 4.676 4.561 0.115 19002 4833 1 12 . 1 1 45 45 TYR C C 45 177.362 177.362 177.915 -0.553 19002 4834 1 12 . 1 1 45 45 TYR CA C 45 60.703 60.703 61.078 -0.375 19002 4835 1 12 . 1 1 45 45 TYR CB C 45 38.747 38.747 38.894 -0.147 19002 4836 1 12 . 1 1 45 45 TYR H H 45 7.750 7.750 7.244 0.506 19002 4837 1 12 . 1 1 46 46 LEU N N 46 118.650 118.650 119.623 -0.973 19002 4838 1 12 . 1 1 46 46 LEU HA H 46 3.697 3.697 3.702 -0.005 19002 4839 1 12 . 1 1 46 46 LEU C C 46 179.850 179.850 179.139 0.711 19002 4840 1 12 . 1 1 46 46 LEU CA C 46 57.807 57.807 57.775 0.032 19002 4841 1 12 . 1 1 46 46 LEU CB C 46 41.205 41.205 41.391 -0.186 19002 4842 1 12 . 1 1 46 46 LEU H H 46 8.544 8.544 8.898 -0.354 19002 4843 1 12 . 1 1 47 47 ALA N N 47 121.991 121.991 121.222 0.769 19002 4844 1 12 . 1 1 47 47 ALA HA H 47 4.190 4.190 3.894 0.296 19002 4845 1 12 . 1 1 47 47 ALA C C 47 180.457 180.457 179.346 1.111 19002 4846 1 12 . 1 1 47 47 ALA CA C 47 55.048 55.048 55.298 -0.250 19002 4847 1 12 . 1 1 47 47 ALA CB C 47 18.337 18.337 18.017 0.320 19002 4848 1 12 . 1 1 47 47 ALA H H 47 7.716 7.716 8.300 -0.584 19002 4849 1 12 . 1 1 48 48 ASP N N 48 120.788 120.788 118.470 2.318 19002 4850 1 12 . 1 1 48 48 ASP HA H 48 4.505 4.505 4.357 0.148 19002 4851 1 12 . 1 1 48 48 ASP C C 48 178.596 178.596 178.185 0.411 19002 4852 1 12 . 1 1 48 48 ASP CA C 48 57.361 57.361 56.883 0.478 19002 4853 1 12 . 1 1 48 48 ASP CB C 48 40.076 40.076 41.100 -1.024 19002 4854 1 12 . 1 1 48 48 ASP H H 48 8.316 8.316 7.565 0.751 19002 4855 1 12 . 1 1 49 49 ARG N N 49 120.274 120.274 120.087 0.187 19002 4856 1 12 . 1 1 49 49 ARG HA H 49 3.952 3.952 4.090 -0.138 19002 4857 1 12 . 1 1 49 49 ARG C C 49 178.454 178.454 178.531 -0.077 19002 4858 1 12 . 1 1 49 49 ARG CA C 49 58.133 58.133 58.622 -0.489 19002 4859 1 12 . 1 1 49 49 ARG CB C 49 29.231 29.231 29.930 -0.699 19002 4860 1 12 . 1 1 49 49 ARG H H 49 8.459 8.459 8.155 0.304 19002 4861 1 12 . 1 1 50 50 GLU N N 50 118.834 118.834 117.680 1.154 19002 4862 1 12 . 1 1 50 50 GLU HA H 50 4.101 4.101 4.084 0.017 19002 4863 1 12 . 1 1 50 50 GLU C C 50 178.353 178.353 179.407 -1.054 19002 4864 1 12 . 1 1 50 50 GLU CA C 50 58.928 58.928 58.958 -0.030 19002 4865 1 12 . 1 1 50 50 GLU CB C 50 29.530 29.530 29.107 0.423 19002 4866 1 12 . 1 1 50 50 GLU H H 50 7.734 7.734 8.012 -0.278 19002 4867 1 12 . 1 1 51 51 ARG N N 51 119.239 119.239 118.938 0.301 19002 4868 1 12 . 1 1 51 51 ARG HA H 51 4.240 4.240 4.113 0.127 19002 4869 1 12 . 1 1 51 51 ARG C C 51 178.370 178.370 178.512 -0.142 19002 4870 1 12 . 1 1 51 51 ARG CA C 51 58.105 58.105 58.880 -0.775 19002 4871 1 12 . 1 1 51 51 ARG CB C 51 30.649 30.649 30.174 0.475 19002 4872 1 12 . 1 1 51 51 ARG H H 51 7.694 7.694 7.417 0.277 19002 4873 1 12 . 1 1 52 52 GLU N N 52 119.667 119.667 118.751 0.916 19002 4874 1 12 . 1 1 52 52 GLU HA H 52 4.099 4.099 4.003 0.096 19002 4875 1 12 . 1 1 52 52 GLU C C 52 178.370 178.370 178.598 -0.228 19002 4876 1 12 . 1 1 52 52 GLU CA C 52 58.538 58.538 59.288 -0.750 19002 4877 1 12 . 1 1 52 52 GLU CB C 52 29.661 29.661 29.106 0.555 19002 4878 1 12 . 1 1 52 52 GLU H H 52 8.299 8.299 8.098 0.201 19002 4879 1 12 . 1 1 53 53 GLU N N 53 119.152 119.152 118.655 0.497 19002 4880 1 12 . 1 1 53 53 GLU HA H 53 4.210 4.210 3.972 0.238 19002 4881 1 12 . 1 1 53 53 GLU C C 53 177.740 177.740 178.843 -1.103 19002 4882 1 12 . 1 1 53 53 GLU CA C 53 58.172 58.172 59.355 -1.183 19002 4883 1 12 . 1 1 53 53 GLU CB C 53 29.530 29.530 29.361 0.169 19002 4884 1 12 . 1 1 53 53 GLU H H 53 8.098 8.098 7.827 0.271 19002 4885 1 12 . 1 1 54 54 GLU N N 54 120.097 120.097 117.125 2.972 19002 4886 1 12 . 1 1 54 54 GLU HA H 54 4.212 4.212 4.179 0.033 19002 4887 1 12 . 1 1 54 54 GLU C C 54 177.443 177.443 177.891 -0.448 19002 4888 1 12 . 1 1 54 54 GLU CA C 54 58.081 58.081 58.361 -0.280 19002 4889 1 12 . 1 1 54 54 GLU CB C 54 29.788 29.788 29.386 0.402 19002 4890 1 12 . 1 1 54 54 GLU H H 54 7.968 7.968 7.853 0.115 19002 4891 1 12 . 1 1 55 55 LEU N N 55 120.563 120.563 118.980 1.583 19002 4892 1 12 . 1 1 55 55 LEU HA H 55 4.288 4.288 4.197 0.091 19002 4893 1 12 . 1 1 55 55 LEU C C 55 177.735 177.735 178.363 -0.628 19002 4894 1 12 . 1 1 55 55 LEU CA C 55 56.070 56.070 56.701 -0.631 19002 4895 1 12 . 1 1 55 55 LEU CB C 55 42.062 42.062 42.179 -0.117 19002 4896 1 12 . 1 1 55 55 LEU H H 55 7.905 7.905 7.092 0.813 19002 4897 1 12 . 1 1 56 56 LEU N N 56 121.250 121.250 119.961 1.289 19002 4898 1 12 . 1 1 56 56 LEU HA H 56 4.312 4.312 4.115 0.197 19002 4899 1 12 . 1 1 56 56 LEU C C 56 177.726 177.726 177.928 -0.202 19002 4900 1 12 . 1 1 56 56 LEU CA C 56 55.979 55.979 56.750 -0.771 19002 4901 1 12 . 1 1 56 56 LEU CB C 56 42.635 42.635 42.392 0.243 19002 4902 1 12 . 1 1 56 56 LEU H H 56 7.859 7.859 8.282 -0.423 19002 4903 1 12 . 1 1 57 57 GLU N N 57 120.632 120.632 117.408 3.224 19002 4904 1 12 . 1 1 57 57 GLU HA H 57 4.283 4.283 4.594 -0.311 19002 4905 1 12 . 1 1 57 57 GLU C C 57 176.553 176.553 174.798 1.755 19002 4906 1 12 . 1 1 57 57 GLU CA C 57 57.076 57.076 56.044 1.032 19002 4907 1 12 . 1 1 57 57 GLU CB C 57 30.052 30.052 31.398 -1.346 19002 4908 1 12 . 1 1 57 57 GLU H H 57 8.153 8.153 7.669 0.484 19002 4909 1 12 . 1 1 58 58 ARG N N 58 121.282 121.282 117.424 3.858 19002 4910 1 12 . 1 1 58 58 ARG HA H 58 4.372 4.372 4.486 -0.114 19002 4911 1 12 . 1 1 58 58 ARG C C 58 176.169 176.169 174.286 1.883 19002 4912 1 12 . 1 1 58 58 ARG CA C 58 56.344 56.344 55.375 0.969 19002 4913 1 12 . 1 1 58 58 ARG CB C 58 31.102 31.102 31.822 -0.720 19002 4914 1 12 . 1 1 58 58 ARG H H 58 8.146 8.146 8.099 0.047 19002 4915 1 12 . 1 1 59 59 ASP N N 59 121.619 121.619 118.146 3.473 19002 4916 1 12 . 1 1 59 59 ASP HA H 59 4.639 4.639 4.328 0.311 19002 4917 1 12 . 1 1 59 59 ASP C C 59 176.553 176.553 176.943 -0.390 19002 4918 1 12 . 1 1 59 59 ASP CA C 59 54.768 54.768 57.006 -2.238 19002 4919 1 12 . 1 1 59 59 ASP CB C 59 41.256 41.256 39.970 1.286 19002 4920 1 12 . 1 1 59 59 ASP H H 59 8.386 8.386 8.751 -0.365 19002 4921 1 12 . 1 1 60 60 GLU N N 60 121.214 121.214 119.691 1.523 19002 4922 1 12 . 1 1 60 60 GLU HA H 60 4.273 4.273 4.410 -0.137 19002 4923 1 12 . 1 1 60 60 GLU C C 60 176.876 176.876 177.569 -0.693 19002 4924 1 12 . 1 1 60 60 GLU CA C 60 57.361 57.361 56.984 0.377 19002 4925 1 12 . 1 1 60 60 GLU CB C 60 30.425 30.425 30.093 0.332 19002 4926 1 12 . 1 1 60 60 GLU H H 60 8.372 8.372 8.174 0.198 19002 4927 1 12 . 1 1 61 61 GLU N N 61 121.077 121.077 120.132 0.945 19002 4928 1 12 . 1 1 61 61 GLU HA H 61 4.210 4.210 4.145 0.065 19002 4929 1 12 . 1 1 61 61 GLU C C 61 176.832 176.832 176.827 0.005 19002 4930 1 12 . 1 1 61 61 GLU CA C 61 57.734 57.734 58.456 -0.722 19002 4931 1 12 . 1 1 61 61 GLU CB C 61 30.425 30.425 30.337 0.088 19002 4932 1 12 . 1 1 61 61 GLU H H 61 8.384 8.384 7.586 0.798 19002 4933 1 12 . 1 1 62 62 GLU N N 62 121.155 121.155 117.868 3.287 19002 4934 1 12 . 1 1 62 62 GLU HA H 62 4.249 4.249 4.219 0.030 19002 4935 1 12 . 1 1 62 62 GLU C C 62 176.432 176.432 174.520 1.912 19002 4936 1 12 . 1 1 62 62 GLU CA C 62 57.137 57.137 56.304 0.833 19002 4937 1 12 . 1 1 62 62 GLU CB C 62 30.425 30.425 29.561 0.865 19002 4938 1 12 . 1 1 62 62 GLU H H 62 8.300 8.300 8.059 0.241 19002 4939 1 12 . 1 1 63 63 ALA N N 63 124.607 124.607 125.992 -1.385 19002 4940 1 12 . 1 1 63 63 ALA HA H 63 4.293 4.293 4.121 0.172 19002 4941 1 12 . 1 1 63 63 ALA C C 63 177.483 177.483 176.358 1.125 19002 4942 1 12 . 1 1 63 63 ALA CA C 63 52.915 52.915 53.262 -0.347 19002 4943 1 12 . 1 1 63 63 ALA CB C 63 19.070 19.070 17.692 1.378 19002 4944 1 12 . 1 1 63 63 ALA H H 63 8.178 8.178 8.734 -0.556 19002 4945 1 12 . 1 1 64 64 ILE N N 64 118.941 118.941 116.783 2.158 19002 4946 1 12 . 1 1 64 64 ILE HA H 64 4.076 4.076 4.083 -0.007 19002 4947 1 12 . 1 1 64 64 ILE C C 64 176.047 176.047 177.340 -1.293 19002 4948 1 12 . 1 1 64 64 ILE CA C 64 61.342 61.342 62.798 -1.456 19002 4949 1 12 . 1 1 64 64 ILE CB C 64 38.700 38.700 38.763 -0.063 19002 4950 1 12 . 1 1 64 64 ILE H H 64 7.872 7.872 8.257 -0.385 19002 4951 1 12 . 1 1 65 65 PHE N N 65 122.809 122.809 118.771 4.038 19002 4952 1 12 . 1 1 65 65 PHE HA H 65 4.615 4.615 4.690 -0.075 19002 4953 1 12 . 1 1 65 65 PHE C C 65 176.270 176.270 176.386 -0.116 19002 4954 1 12 . 1 1 65 65 PHE CA C 65 57.807 57.807 58.043 -0.236 19002 4955 1 12 . 1 1 65 65 PHE CB C 65 39.827 39.827 38.867 0.960 19002 4956 1 12 . 1 1 65 65 PHE H H 65 8.188 8.188 8.467 -0.279 19002 4957 1 12 . 1 1 66 66 GLY N N 66 110.278 110.278 108.056 2.222 19002 4958 1 12 . 1 1 66 66 GLY C C 66 173.802 173.802 172.289 1.513 19002 4959 1 12 . 1 1 66 66 GLY CA C 66 45.391 45.391 44.779 0.612 19002 4960 1 12 . 1 1 66 66 GLY H H 66 8.213 8.213 6.988 1.225 19002 4961 1 12 . 1 1 67 67 ASP N N 67 120.510 120.510 118.767 1.743 19002 4962 1 12 . 1 1 67 67 ASP HA H 67 4.599 4.599 4.513 0.086 19002 4963 1 12 . 1 1 67 67 ASP C C 67 176.897 176.897 176.297 0.600 19002 4964 1 12 . 1 1 67 67 ASP CA C 67 54.425 54.425 54.214 0.211 19002 4965 1 12 . 1 1 67 67 ASP CB C 67 41.265 41.265 41.678 -0.413 19002 4966 1 12 . 1 1 67 67 ASP H H 67 8.254 8.254 8.150 0.104 19002 4967 1 12 . 1 1 68 68 GLY N N 68 108.789 108.789 107.945 0.844 19002 4968 1 12 . 1 1 68 68 GLY C C 68 174.307 174.307 172.268 2.039 19002 4969 1 12 . 1 1 68 68 GLY CA C 68 46.020 46.020 44.082 1.938 19002 4970 1 12 . 1 1 68 68 GLY H H 68 8.342 8.342 7.645 0.697 19002 4971 1 12 . 1 1 69 69 PHE N N 69 119.903 119.903 116.539 3.364 19002 4972 1 12 . 1 1 69 69 PHE HA H 69 4.599 4.599 4.994 -0.395 19002 4973 1 12 . 1 1 69 69 PHE C C 69 176.432 176.432 175.987 0.445 19002 4974 1 12 . 1 1 69 69 PHE CA C 69 58.146 58.146 55.938 2.208 19002 4975 1 12 . 1 1 69 69 PHE CB C 69 39.339 39.339 41.004 -1.665 19002 4976 1 12 . 1 1 69 69 PHE H H 69 8.178 8.178 7.477 0.701 19002 4977 1 12 . 1 1 70 70 GLY N N 70 110.089 110.089 107.232 2.857 19002 4978 1 12 . 1 1 70 70 GLY C C 70 174.227 174.227 174.846 -0.619 19002 4979 1 12 . 1 1 70 70 GLY CA C 70 45.628 45.628 45.332 0.296 19002 4980 1 12 . 1 1 70 70 GLY H H 70 8.382 8.382 9.066 -0.684 19002 4981 1 12 . 1 1 71 71 LEU N N 71 121.600 121.600 121.569 0.031 19002 4982 1 12 . 1 1 71 71 LEU HA H 71 4.290 4.290 4.299 -0.009 19002 4983 1 12 . 1 1 71 71 LEU C C 71 177.645 177.645 176.681 0.964 19002 4984 1 12 . 1 1 71 71 LEU CA C 71 55.500 55.500 56.063 -0.563 19002 4985 1 12 . 1 1 71 71 LEU CB C 71 42.400 42.400 42.128 0.272 19002 4986 1 12 . 1 1 71 71 LEU H H 71 8.069 8.069 8.314 -0.245 19002 4987 1 12 . 1 1 72 72 LYS N N 72 121.214 121.214 116.239 4.975 19002 4988 1 12 . 1 1 72 72 LYS HA H 72 4.283 4.283 4.356 -0.073 19002 4989 1 12 . 1 1 72 72 LYS C C 72 176.553 176.553 174.667 1.886 19002 4990 1 12 . 1 1 72 72 LYS CA C 72 56.594 56.594 55.701 0.893 19002 4991 1 12 . 1 1 72 72 LYS CB C 72 32.765 32.765 32.952 -0.187 19002 4992 1 12 . 1 1 72 72 LYS H H 72 8.372 8.372 7.714 0.658 19002 4993 1 12 . 1 1 73 73 ALA N N 73 124.187 124.187 127.344 -3.157 19002 4994 1 12 . 1 1 73 73 ALA HA H 73 4.347 4.347 4.555 -0.208 19002 4995 1 12 . 1 1 73 73 ALA C C 73 178.009 178.009 177.758 0.251 19002 4996 1 12 . 1 1 73 73 ALA CA C 73 52.597 52.597 53.347 -0.750 19002 4997 1 12 . 1 1 73 73 ALA CB C 73 19.239 19.239 19.792 -0.553 19002 4998 1 12 . 1 1 73 73 ALA H H 73 8.188 8.188 8.569 -0.381 19002 4999 1 12 . 1 1 74 74 THR N N 74 112.973 112.973 114.929 -1.956 19002 5000 1 12 . 1 1 74 74 THR HA H 74 4.339 4.339 4.186 0.152 19002 5001 1 12 . 1 1 74 74 THR C C 74 174.753 174.753 175.225 -0.472 19002 5002 1 12 . 1 1 74 74 THR CA C 74 62.046 62.046 63.155 -1.109 19002 5003 1 12 . 1 1 74 74 THR CB C 74 69.779 69.779 69.323 0.456 19002 5004 1 12 . 1 1 74 74 THR H H 74 8.054 8.054 8.292 -0.238 19002 5005 1 12 . 1 1 75 75 ARG N N 75 123.112 123.112 115.888 7.224 19002 5006 1 12 . 1 1 75 75 ARG HA H 75 4.371 4.371 3.929 0.442 19002 5007 1 12 . 1 1 75 75 ARG C C 75 176.411 176.411 174.942 1.469 19002 5008 1 12 . 1 1 75 75 ARG CA C 75 56.801 56.801 57.238 -0.437 19002 5009 1 12 . 1 1 75 75 ARG CB C 75 30.798 30.798 29.526 1.272 19002 5010 1 12 . 1 1 75 75 ARG H H 75 8.296 8.296 8.482 -0.186 19002 5011 1 12 . 1 1 76 76 ARG N N 76 121.977 121.977 114.315 7.662 19002 5012 1 12 . 1 1 76 76 ARG HA H 76 4.362 4.362 4.061 0.301 19002 5013 1 12 . 1 1 76 76 ARG C C 76 176.411 176.411 175.382 1.029 19002 5014 1 12 . 1 1 76 76 ARG CA C 76 56.689 56.689 56.457 0.232 19002 5015 1 12 . 1 1 76 76 ARG CB C 76 30.873 30.873 27.413 3.460 19002 5016 1 12 . 1 1 76 76 ARG H H 76 8.360 8.360 8.409 -0.049 19002 5017 1 12 . 1 1 77 77 SER N N 77 116.981 116.981 115.437 1.544 19002 5018 1 12 . 1 1 77 77 SER HA H 77 4.483 4.483 4.314 0.169 19002 5019 1 12 . 1 1 77 77 SER C C 77 174.672 174.672 174.726 -0.054 19002 5020 1 12 . 1 1 77 77 SER CA C 77 58.497 58.497 59.046 -0.549 19002 5021 1 12 . 1 1 77 77 SER CB C 77 63.839 63.839 62.355 1.484 19002 5022 1 12 . 1 1 77 77 SER H H 77 8.325 8.325 7.853 0.472 19002 5023 1 12 . 1 1 78 78 ARG N N 78 123.324 123.324 123.423 -0.099 19002 5024 1 12 . 1 1 78 78 ARG HA H 78 4.377 4.377 4.582 -0.205 19002 5025 1 12 . 1 1 78 78 ARG C C 78 176.492 176.492 175.705 0.787 19002 5026 1 12 . 1 1 78 78 ARG CA C 78 56.619 56.619 55.880 0.739 19002 5027 1 12 . 1 1 78 78 ARG CB C 78 30.873 30.873 31.215 -0.342 19002 5028 1 12 . 1 1 78 78 ARG H H 78 8.421 8.421 7.997 0.424 19002 5029 1 12 . 1 1 79 79 LYS N N 79 122.352 122.352 120.604 1.748 19002 5030 1 12 . 1 1 79 79 LYS HA H 79 4.266 4.266 3.987 0.279 19002 5031 1 12 . 1 1 79 79 LYS C C 79 176.472 176.472 175.223 1.249 19002 5032 1 12 . 1 1 79 79 LYS CA C 79 57.076 57.076 56.671 0.405 19002 5033 1 12 . 1 1 79 79 LYS CB C 79 33.186 33.186 30.037 3.149 19002 5034 1 12 . 1 1 79 79 LYS H H 79 8.300 8.300 9.021 -0.721 19002 5035 1 12 . 1 1 80 80 ALA N N 80 124.816 124.816 121.428 3.388 19002 5036 1 12 . 1 1 80 80 ALA HA H 80 4.308 4.308 4.596 -0.288 19002 5037 1 12 . 1 1 80 80 ALA C C 80 177.787 177.787 177.021 0.766 19002 5038 1 12 . 1 1 80 80 ALA CA C 80 52.597 52.597 51.910 0.687 19002 5039 1 12 . 1 1 80 80 ALA CB C 80 19.180 19.180 19.429 -0.249 19002 5040 1 12 . 1 1 80 80 ALA H H 80 8.269 8.269 8.063 0.206 19002 5041 1 12 . 1 1 81 81 GLU N N 81 120.243 120.243 123.421 -3.178 19002 5042 1 12 . 1 1 81 81 GLU HA H 81 4.278 4.278 4.315 -0.037 19002 5043 1 12 . 1 1 81 81 GLU C C 81 176.614 176.614 175.605 1.009 19002 5044 1 12 . 1 1 81 81 GLU CA C 81 56.893 56.893 56.477 0.416 19002 5045 1 12 . 1 1 81 81 GLU CB C 81 30.374 30.374 28.326 2.048 19002 5046 1 12 . 1 1 81 81 GLU H H 81 8.283 8.283 8.704 -0.421 19002 5047 1 12 . 1 1 82 82 ARG N N 82 121.743 121.743 121.542 0.201 19002 5048 1 12 . 1 1 82 82 ARG HA H 82 4.378 4.378 4.585 -0.207 19002 5049 1 12 . 1 1 82 82 ARG C C 82 175.946 175.946 175.198 0.748 19002 5050 1 12 . 1 1 82 82 ARG CA C 82 56.047 56.047 55.627 0.420 19002 5051 1 12 . 1 1 82 82 ARG CB C 82 30.757 30.757 31.488 -0.731 19002 5052 1 12 . 1 1 82 82 ARG H H 82 8.256 8.256 7.823 0.433 19002 5053 1 12 . 1 1 83 83 ALA N N 83 125.049 125.049 127.005 -1.956 19002 5054 1 12 . 1 1 83 83 ALA HA H 83 4.313 4.313 4.431 -0.118 19002 5055 1 12 . 1 1 83 83 ALA C C 83 177.322 177.322 178.235 -0.913 19002 5056 1 12 . 1 1 83 83 ALA CA C 83 52.872 52.872 52.938 -0.065 19002 5057 1 12 . 1 1 83 83 ALA CB C 83 19.239 19.239 19.224 0.015 19002 5058 1 12 . 1 1 83 83 ALA H H 83 8.241 8.241 8.558 -0.317 19002 5059 1 12 . 1 1 84 84 LYS N N 84 121.088 121.088 119.571 1.517 19002 5060 1 12 . 1 1 84 84 LYS HA H 84 4.286 4.286 4.278 0.008 19002 5061 1 12 . 1 1 84 84 LYS C C 84 175.460 175.460 176.602 -1.142 19002 5062 1 12 . 1 1 84 84 LYS CA C 84 56.316 56.316 57.036 -0.720 19002 5063 1 12 . 1 1 84 84 LYS CB C 84 32.923 32.923 32.631 0.292 19002 5064 1 12 . 1 1 84 84 LYS H H 84 8.186 8.186 8.281 -0.095 19002 5065 1 13 . 1 1 12 12 ARG N N 12 121.400 121.400 121.355 0.045 19002 5066 1 13 . 1 1 12 12 ARG HA H 12 4.640 4.640 4.548 0.092 19002 5067 1 13 . 1 1 12 12 ARG C C 12 174.242 174.242 175.397 -1.155 19002 5068 1 13 . 1 1 12 12 ARG CA C 12 53.900 53.900 54.419 -0.519 19002 5069 1 13 . 1 1 12 12 ARG CB C 12 30.400 30.400 31.236 -0.836 19002 5070 1 13 . 1 1 12 12 ARG H H 12 8.140 8.140 8.336 -0.197 19002 5071 1 13 . 1 1 13 13 PRO HA H 13 4.457 4.457 4.288 0.169 19002 5072 1 13 . 1 1 13 13 PRO C C 13 177.524 177.524 177.003 0.521 19002 5073 1 13 . 1 1 13 13 PRO CA C 13 63.259 63.259 63.216 0.043 19002 5074 1 13 . 1 1 13 13 PRO CB C 13 32.067 32.067 31.978 0.089 19002 5075 1 13 . 1 1 14 14 GLY N N 14 109.192 109.192 108.030 1.162 19002 5076 1 13 . 1 1 14 14 GLY C C 14 174.227 174.227 174.198 0.029 19002 5077 1 13 . 1 1 14 14 GLY CA C 14 45.497 45.497 44.554 0.943 19002 5078 1 13 . 1 1 14 14 GLY H H 14 8.467 8.467 8.134 0.333 19002 5079 1 13 . 1 1 15 15 VAL N N 15 119.157 119.157 122.670 -3.513 19002 5080 1 13 . 1 1 15 15 VAL HA H 15 4.081 4.081 4.218 -0.137 19002 5081 1 13 . 1 1 15 15 VAL C C 15 175.986 175.986 175.867 0.119 19002 5082 1 13 . 1 1 15 15 VAL CA C 15 62.529 62.529 61.333 1.196 19002 5083 1 13 . 1 1 15 15 VAL CB C 15 32.491 32.491 32.947 -0.456 19002 5084 1 13 . 1 1 15 15 VAL H H 15 7.837 7.837 7.924 -0.087 19002 5085 1 13 . 1 1 16 16 PHE N N 16 123.110 123.110 119.664 3.446 19002 5086 1 13 . 1 1 16 16 PHE HA H 16 4.614 4.614 4.266 0.348 19002 5087 1 13 . 1 1 16 16 PHE C C 16 175.804 175.804 174.967 0.837 19002 5088 1 13 . 1 1 16 16 PHE CA C 16 58.398 58.398 58.229 0.169 19002 5089 1 13 . 1 1 16 16 PHE CB C 16 39.475 39.475 38.166 1.309 19002 5090 1 13 . 1 1 16 16 PHE H H 16 8.265 8.265 8.589 -0.324 19002 5091 1 13 . 1 1 17 17 ARG N N 17 122.074 122.074 119.269 2.805 19002 5092 1 13 . 1 1 17 17 ARG HA H 17 4.323 4.323 4.120 0.203 19002 5093 1 13 . 1 1 17 17 ARG C C 17 176.452 176.452 175.573 0.879 19002 5094 1 13 . 1 1 17 17 ARG CA C 17 56.710 56.710 56.999 -0.289 19002 5095 1 13 . 1 1 17 17 ARG CB C 17 30.937 30.937 30.256 0.681 19002 5096 1 13 . 1 1 17 17 ARG H H 17 8.155 8.155 8.539 -0.384 19002 5097 1 13 . 1 1 18 18 THR N N 18 114.223 114.223 107.032 7.191 19002 5098 1 13 . 1 1 18 18 THR HA H 18 4.231 4.231 4.303 -0.072 19002 5099 1 13 . 1 1 18 18 THR C C 18 174.348 174.348 173.474 0.874 19002 5100 1 13 . 1 1 18 18 THR CA C 18 62.410 62.410 59.855 2.555 19002 5101 1 13 . 1 1 18 18 THR CB C 18 69.509 69.509 71.364 -1.855 19002 5102 1 13 . 1 1 18 18 THR H H 18 8.015 8.015 7.110 0.905 19002 5103 1 13 . 1 1 19 19 ARG N N 19 120.957 120.957 123.709 -2.752 19002 5104 1 13 . 1 1 19 19 ARG HA H 19 4.323 4.323 4.389 -0.066 19002 5105 1 13 . 1 1 19 19 ARG C C 19 175.986 175.986 176.509 -0.523 19002 5106 1 13 . 1 1 19 19 ARG CA C 19 56.093 56.093 54.828 1.265 19002 5107 1 13 . 1 1 19 19 ARG CB C 19 30.480 30.480 28.955 1.525 19002 5108 1 13 . 1 1 19 19 ARG H H 19 8.080 8.080 8.598 -0.518 19002 5109 1 13 . 1 1 20 20 GLY N N 20 107.963 107.963 108.698 -0.735 19002 5110 1 13 . 1 1 20 20 GLY C C 20 173.802 173.802 174.080 -0.278 19002 5111 1 13 . 1 1 20 20 GLY CA C 20 45.273 45.273 45.461 -0.188 19002 5112 1 13 . 1 1 20 20 GLY H H 20 8.241 8.241 7.869 0.372 19002 5113 1 13 . 1 1 21 21 LEU N N 21 121.181 121.181 121.372 -0.191 19002 5114 1 13 . 1 1 21 21 LEU HA H 21 4.770 4.770 4.423 0.347 19002 5115 1 13 . 1 1 21 21 LEU C C 21 178.414 178.414 177.440 0.974 19002 5116 1 13 . 1 1 21 21 LEU CA C 21 54.677 54.677 54.954 -0.277 19002 5117 1 13 . 1 1 21 21 LEU CB C 21 43.142 43.142 42.752 0.390 19002 5118 1 13 . 1 1 21 21 LEU H H 21 7.967 7.967 7.814 0.153 19002 5119 1 13 . 1 1 22 22 THR N N 22 114.494 114.494 118.661 -4.167 19002 5120 1 13 . 1 1 22 22 THR HA H 22 4.558 4.558 4.389 0.169 19002 5121 1 13 . 1 1 22 22 THR C C 22 175.359 175.359 175.348 0.011 19002 5122 1 13 . 1 1 22 22 THR CA C 22 61.316 61.316 61.356 -0.040 19002 5123 1 13 . 1 1 22 22 THR CB C 22 71.015 71.015 70.318 0.697 19002 5124 1 13 . 1 1 22 22 THR H H 22 9.075 9.075 9.571 -0.496 19002 5125 1 13 . 1 1 23 23 ASP N N 23 121.204 121.204 121.137 0.067 19002 5126 1 13 . 1 1 23 23 ASP HA H 23 4.485 4.485 4.383 0.102 19002 5127 1 13 . 1 1 23 23 ASP C C 23 178.697 178.697 178.645 0.052 19002 5128 1 13 . 1 1 23 23 ASP CA C 23 58.315 58.315 58.279 0.036 19002 5129 1 13 . 1 1 23 23 ASP CB C 23 39.931 39.931 40.552 -0.621 19002 5130 1 13 . 1 1 23 23 ASP H H 23 8.943 8.943 8.805 0.138 19002 5131 1 13 . 1 1 24 24 GLU N N 24 119.241 119.241 119.274 -0.033 19002 5132 1 13 . 1 1 24 24 GLU HA H 24 4.199 4.199 4.110 0.089 19002 5133 1 13 . 1 1 24 24 GLU C C 24 179.911 179.911 178.875 1.036 19002 5134 1 13 . 1 1 24 24 GLU CA C 24 59.973 59.973 59.517 0.456 19002 5135 1 13 . 1 1 24 24 GLU CB C 24 29.306 29.306 29.484 -0.178 19002 5136 1 13 . 1 1 24 24 GLU H H 24 8.741 8.741 8.737 0.004 19002 5137 1 13 . 1 1 25 25 GLU N N 25 121.151 121.151 120.809 0.342 19002 5138 1 13 . 1 1 25 25 GLU HA H 25 4.200 4.200 4.218 -0.018 19002 5139 1 13 . 1 1 25 25 GLU C C 25 178.394 178.394 179.157 -0.763 19002 5140 1 13 . 1 1 25 25 GLU CA C 25 59.178 59.178 59.221 -0.043 19002 5141 1 13 . 1 1 25 25 GLU CB C 25 30.873 30.873 29.817 1.056 19002 5142 1 13 . 1 1 25 25 GLU H H 25 7.801 7.801 7.740 0.061 19002 5143 1 13 . 1 1 26 26 TYR N N 26 120.692 120.692 120.299 0.393 19002 5144 1 13 . 1 1 26 26 TYR HA H 26 4.184 4.184 4.114 0.070 19002 5145 1 13 . 1 1 26 26 TYR C C 26 177.483 177.483 177.513 -0.030 19002 5146 1 13 . 1 1 26 26 TYR CA C 26 61.924 61.924 61.291 0.633 19002 5147 1 13 . 1 1 26 26 TYR CB C 26 37.837 37.837 38.631 -0.794 19002 5148 1 13 . 1 1 26 26 TYR H H 26 8.897 8.897 8.869 0.028 19002 5149 1 13 . 1 1 27 27 ASP N N 27 118.898 118.898 119.653 -0.755 19002 5150 1 13 . 1 1 27 27 ASP HA H 27 4.338 4.338 4.335 0.003 19002 5151 1 13 . 1 1 27 27 ASP C C 27 178.535 178.535 178.312 0.223 19002 5152 1 13 . 1 1 27 27 ASP CA C 27 57.864 57.864 57.786 0.078 19002 5153 1 13 . 1 1 27 27 ASP CB C 27 40.797 40.797 40.781 0.016 19002 5154 1 13 . 1 1 27 27 ASP H H 27 8.135 8.135 8.180 -0.045 19002 5155 1 13 . 1 1 28 28 GLU N N 28 121.020 121.020 121.078 -0.058 19002 5156 1 13 . 1 1 28 28 GLU HA H 28 4.101 4.101 4.112 -0.011 19002 5157 1 13 . 1 1 28 28 GLU C C 28 178.394 178.394 178.601 -0.207 19002 5158 1 13 . 1 1 28 28 GLU CA C 28 59.450 59.450 58.970 0.480 19002 5159 1 13 . 1 1 28 28 GLU CB C 28 29.231 29.231 29.446 -0.215 19002 5160 1 13 . 1 1 28 28 GLU H H 28 7.655 7.655 8.144 -0.489 19002 5161 1 13 . 1 1 29 29 PHE N N 29 121.567 121.567 121.094 0.473 19002 5162 1 13 . 1 1 29 29 PHE HA H 29 3.765 3.765 4.073 -0.308 19002 5163 1 13 . 1 1 29 29 PHE C C 29 176.169 176.169 177.046 -0.877 19002 5164 1 13 . 1 1 29 29 PHE CA C 29 61.371 61.371 60.301 1.070 19002 5165 1 13 . 1 1 29 29 PHE CB C 29 37.588 37.588 38.316 -0.727 19002 5166 1 13 . 1 1 29 29 PHE H H 29 8.471 8.471 8.462 0.009 19002 5167 1 13 . 1 1 30 30 LYS N N 30 118.916 118.916 119.516 -0.600 19002 5168 1 13 . 1 1 30 30 LYS HA H 30 3.137 3.137 3.290 -0.153 19002 5169 1 13 . 1 1 30 30 LYS C C 30 179.445 179.445 178.569 0.876 19002 5170 1 13 . 1 1 30 30 LYS CA C 30 60.346 60.346 59.728 0.618 19002 5171 1 13 . 1 1 30 30 LYS CB C 30 31.992 31.992 31.869 0.123 19002 5172 1 13 . 1 1 30 30 LYS H H 30 8.287 8.287 8.276 0.011 19002 5173 1 13 . 1 1 31 31 LYS N N 31 120.113 120.113 119.584 0.529 19002 5174 1 13 . 1 1 31 31 LYS HA H 31 4.018 4.018 3.834 0.184 19002 5175 1 13 . 1 1 31 31 LYS C C 31 179.918 179.918 178.800 1.118 19002 5176 1 13 . 1 1 31 31 LYS CA C 31 59.700 59.700 59.664 0.036 19002 5177 1 13 . 1 1 31 31 LYS CB C 31 32.300 32.300 32.331 -0.031 19002 5178 1 13 . 1 1 31 31 LYS H H 31 7.690 7.690 8.259 -0.569 19002 5179 1 13 . 1 1 32 32 ARG N N 32 121.200 121.200 117.347 3.853 19002 5180 1 13 . 1 1 32 32 ARG HA H 32 3.893 3.893 3.847 0.046 19002 5181 1 13 . 1 1 32 32 ARG C C 32 178.990 178.990 178.905 0.085 19002 5182 1 13 . 1 1 32 32 ARG CA C 32 59.452 59.452 59.127 0.325 19002 5183 1 13 . 1 1 32 32 ARG CB C 32 31.284 31.284 30.081 1.203 19002 5184 1 13 . 1 1 32 32 ARG H H 32 8.299 8.299 8.508 -0.209 19002 5185 1 13 . 1 1 33 33 ARG N N 33 120.223 120.223 120.375 -0.152 19002 5186 1 13 . 1 1 33 33 ARG HA H 33 3.698 3.698 4.007 -0.309 19002 5187 1 13 . 1 1 33 33 ARG C C 33 178.697 178.697 177.686 1.011 19002 5188 1 13 . 1 1 33 33 ARG CA C 33 59.607 59.607 59.162 0.445 19002 5189 1 13 . 1 1 33 33 ARG CB C 33 29.570 29.570 29.814 -0.244 19002 5190 1 13 . 1 1 33 33 ARG H H 33 8.704 8.704 8.350 0.354 19002 5191 1 13 . 1 1 34 34 GLU N N 34 119.860 119.860 119.961 -0.101 19002 5192 1 13 . 1 1 34 34 GLU HA H 34 4.046 4.046 3.987 0.059 19002 5193 1 13 . 1 1 34 34 GLU C C 34 179.850 179.850 179.252 0.598 19002 5194 1 13 . 1 1 34 34 GLU CA C 34 59.210 59.210 59.453 -0.243 19002 5195 1 13 . 1 1 34 34 GLU CB C 34 29.380 29.380 29.317 0.063 19002 5196 1 13 . 1 1 34 34 GLU H H 34 7.941 7.941 8.444 -0.503 19002 5197 1 13 . 1 1 35 35 SER N N 35 115.261 115.261 116.202 -0.941 19002 5198 1 13 . 1 1 35 35 SER HA H 35 4.378 4.378 4.195 0.183 19002 5199 1 13 . 1 1 35 35 SER C C 35 175.339 175.339 175.685 -0.346 19002 5200 1 13 . 1 1 35 35 SER CA C 35 60.068 60.068 60.451 -0.383 19002 5201 1 13 . 1 1 35 35 SER CB C 35 63.321 63.321 63.029 0.292 19002 5202 1 13 . 1 1 35 35 SER H H 35 7.813 7.813 7.848 -0.035 19002 5203 1 13 . 1 1 36 36 ARG N N 36 119.557 119.557 119.233 0.324 19002 5204 1 13 . 1 1 36 36 ARG HA H 36 4.439 4.439 4.530 -0.091 19002 5205 1 13 . 1 1 36 36 ARG C C 36 177.524 177.524 175.825 1.699 19002 5206 1 13 . 1 1 36 36 ARG CA C 36 55.794 55.794 54.455 1.339 19002 5207 1 13 . 1 1 36 36 ARG CB C 36 30.276 30.276 30.457 -0.181 19002 5208 1 13 . 1 1 36 36 ARG H H 36 7.459 7.459 7.202 0.257 19002 5209 1 13 . 1 1 37 37 GLY N N 37 109.722 109.722 107.487 2.235 19002 5210 1 13 . 1 1 37 37 GLY C C 37 175.117 175.117 175.330 -0.213 19002 5211 1 13 . 1 1 37 37 GLY CA C 37 46.691 46.691 45.766 0.925 19002 5212 1 13 . 1 1 37 37 GLY H H 37 7.981 7.981 8.024 -0.043 19002 5213 1 13 . 1 1 38 38 GLY N N 38 104.904 104.904 106.577 -1.673 19002 5214 1 13 . 1 1 38 38 GLY C C 38 174.489 174.489 175.403 -0.914 19002 5215 1 13 . 1 1 38 38 GLY CA C 38 45.012 45.012 44.868 0.144 19002 5216 1 13 . 1 1 38 38 GLY H H 38 8.271 8.271 8.687 -0.416 19002 5217 1 13 . 1 1 39 39 LYS N N 39 122.169 122.169 123.509 -1.340 19002 5218 1 13 . 1 1 39 39 LYS HA H 39 4.515 4.515 4.333 0.182 19002 5219 1 13 . 1 1 39 39 LYS C C 39 174.995 174.995 175.179 -0.184 19002 5220 1 13 . 1 1 39 39 LYS CA C 39 55.622 55.622 56.054 -0.432 19002 5221 1 13 . 1 1 39 39 LYS CB C 39 30.846 30.846 31.457 -0.611 19002 5222 1 13 . 1 1 39 39 LYS H H 39 7.471 7.471 7.723 -0.252 19002 5223 1 13 . 1 1 40 40 TYR N N 40 123.749 123.749 122.320 1.429 19002 5224 1 13 . 1 1 40 40 TYR HA H 40 4.893 4.893 4.659 0.234 19002 5225 1 13 . 1 1 40 40 TYR C C 40 173.883 173.883 173.771 0.112 19002 5226 1 13 . 1 1 40 40 TYR CA C 40 58.629 58.629 57.080 1.549 19002 5227 1 13 . 1 1 40 40 TYR CB C 40 40.871 40.871 40.580 0.291 19002 5228 1 13 . 1 1 40 40 TYR H H 40 7.687 7.687 8.419 -0.732 19002 5229 1 13 . 1 1 41 41 SER N N 41 124.561 124.561 122.244 2.317 19002 5230 1 13 . 1 1 41 41 SER HA H 41 5.061 5.061 4.711 0.350 19002 5231 1 13 . 1 1 41 41 SER C C 41 175.258 175.258 175.326 -0.068 19002 5232 1 13 . 1 1 41 41 SER CA C 41 56.913 56.913 56.474 0.439 19002 5233 1 13 . 1 1 41 41 SER CB C 41 67.136 67.136 64.422 2.714 19002 5234 1 13 . 1 1 41 41 SER H H 41 9.246 9.246 8.624 0.622 19002 5235 1 13 . 1 1 42 42 ILE N N 42 122.298 122.298 121.514 0.784 19002 5236 1 13 . 1 1 42 42 ILE HA H 42 3.384 3.384 3.188 0.196 19002 5237 1 13 . 1 1 42 42 ILE C C 42 176.573 176.573 177.102 -0.529 19002 5238 1 13 . 1 1 42 42 ILE CA C 42 63.317 63.317 64.231 -0.914 19002 5239 1 13 . 1 1 42 42 ILE CB C 42 37.290 37.290 37.927 -0.637 19002 5240 1 13 . 1 1 42 42 ILE H H 42 8.848 8.848 8.861 -0.013 19002 5241 1 13 . 1 1 43 43 ASP N N 43 118.987 118.987 119.470 -0.483 19002 5242 1 13 . 1 1 43 43 ASP HA H 43 4.317 4.317 4.312 0.005 19002 5243 1 13 . 1 1 43 43 ASP C C 43 178.940 178.940 177.860 1.080 19002 5244 1 13 . 1 1 43 43 ASP CA C 43 57.809 57.809 58.225 -0.416 19002 5245 1 13 . 1 1 43 43 ASP CB C 43 40.722 40.722 39.987 0.735 19002 5246 1 13 . 1 1 43 43 ASP H H 43 7.673 7.673 8.544 -0.871 19002 5247 1 13 . 1 1 44 44 ASP N N 44 121.961 121.961 119.472 2.489 19002 5248 1 13 . 1 1 44 44 ASP HA H 44 4.259 4.259 4.240 0.019 19002 5249 1 13 . 1 1 44 44 ASP C C 44 177.564 177.564 178.145 -0.581 19002 5250 1 13 . 1 1 44 44 ASP CA C 44 57.624 57.624 57.652 -0.028 19002 5251 1 13 . 1 1 44 44 ASP CB C 44 41.244 41.244 40.081 1.163 19002 5252 1 13 . 1 1 44 44 ASP H H 44 7.610 7.610 7.662 -0.052 19002 5253 1 13 . 1 1 45 45 TYR N N 45 121.352 121.352 121.623 -0.271 19002 5254 1 13 . 1 1 45 45 TYR HA H 45 4.676 4.676 4.461 0.215 19002 5255 1 13 . 1 1 45 45 TYR C C 45 177.362 177.362 177.345 0.017 19002 5256 1 13 . 1 1 45 45 TYR CA C 45 60.703 60.703 61.146 -0.443 19002 5257 1 13 . 1 1 45 45 TYR CB C 45 38.747 38.747 38.878 -0.131 19002 5258 1 13 . 1 1 45 45 TYR H H 45 7.750 7.750 7.372 0.378 19002 5259 1 13 . 1 1 46 46 LEU N N 46 118.650 118.650 119.561 -0.911 19002 5260 1 13 . 1 1 46 46 LEU HA H 46 3.697 3.697 3.719 -0.022 19002 5261 1 13 . 1 1 46 46 LEU C C 46 179.850 179.850 179.130 0.720 19002 5262 1 13 . 1 1 46 46 LEU CA C 46 57.807 57.807 57.727 0.080 19002 5263 1 13 . 1 1 46 46 LEU CB C 46 41.205 41.205 41.308 -0.103 19002 5264 1 13 . 1 1 46 46 LEU H H 46 8.544 8.544 8.837 -0.293 19002 5265 1 13 . 1 1 47 47 ALA N N 47 121.991 121.991 121.420 0.571 19002 5266 1 13 . 1 1 47 47 ALA HA H 47 4.190 4.190 3.899 0.291 19002 5267 1 13 . 1 1 47 47 ALA C C 47 180.457 180.457 179.180 1.277 19002 5268 1 13 . 1 1 47 47 ALA CA C 47 55.048 55.048 55.763 -0.715 19002 5269 1 13 . 1 1 47 47 ALA CB C 47 18.337 18.337 18.070 0.267 19002 5270 1 13 . 1 1 47 47 ALA H H 47 7.716 7.716 8.307 -0.591 19002 5271 1 13 . 1 1 48 48 ASP N N 48 120.788 120.788 118.098 2.690 19002 5272 1 13 . 1 1 48 48 ASP HA H 48 4.505 4.505 4.420 0.085 19002 5273 1 13 . 1 1 48 48 ASP C C 48 178.596 178.596 178.219 0.377 19002 5274 1 13 . 1 1 48 48 ASP CA C 48 57.361 57.361 56.505 0.856 19002 5275 1 13 . 1 1 48 48 ASP CB C 48 40.076 40.076 40.921 -0.845 19002 5276 1 13 . 1 1 48 48 ASP H H 48 8.316 8.316 7.410 0.906 19002 5277 1 13 . 1 1 49 49 ARG N N 49 120.274 120.274 120.347 -0.073 19002 5278 1 13 . 1 1 49 49 ARG HA H 49 3.952 3.952 4.022 -0.070 19002 5279 1 13 . 1 1 49 49 ARG C C 49 178.454 178.454 178.483 -0.029 19002 5280 1 13 . 1 1 49 49 ARG CA C 49 58.133 58.133 58.590 -0.457 19002 5281 1 13 . 1 1 49 49 ARG CB C 49 29.231 29.231 30.040 -0.809 19002 5282 1 13 . 1 1 49 49 ARG H H 49 8.459 8.459 8.094 0.365 19002 5283 1 13 . 1 1 50 50 GLU N N 50 118.834 118.834 117.370 1.464 19002 5284 1 13 . 1 1 50 50 GLU HA H 50 4.101 4.101 4.083 0.018 19002 5285 1 13 . 1 1 50 50 GLU C C 50 178.353 178.353 178.672 -0.319 19002 5286 1 13 . 1 1 50 50 GLU CA C 50 58.928 58.928 58.841 0.087 19002 5287 1 13 . 1 1 50 50 GLU CB C 50 29.530 29.530 29.145 0.385 19002 5288 1 13 . 1 1 50 50 GLU H H 50 7.734 7.734 8.140 -0.406 19002 5289 1 13 . 1 1 51 51 ARG N N 51 119.239 119.239 116.910 2.329 19002 5290 1 13 . 1 1 51 51 ARG HA H 51 4.240 4.240 4.310 -0.070 19002 5291 1 13 . 1 1 51 51 ARG C C 51 178.370 178.370 178.096 0.274 19002 5292 1 13 . 1 1 51 51 ARG CA C 51 58.105 58.105 58.076 0.029 19002 5293 1 13 . 1 1 51 51 ARG CB C 51 30.649 30.649 30.514 0.135 19002 5294 1 13 . 1 1 51 51 ARG H H 51 7.694 7.694 7.243 0.451 19002 5295 1 13 . 1 1 52 52 GLU N N 52 119.667 119.667 119.863 -0.196 19002 5296 1 13 . 1 1 52 52 GLU HA H 52 4.099 4.099 3.969 0.130 19002 5297 1 13 . 1 1 52 52 GLU C C 52 178.370 178.370 178.266 0.104 19002 5298 1 13 . 1 1 52 52 GLU CA C 52 58.538 58.538 59.312 -0.774 19002 5299 1 13 . 1 1 52 52 GLU CB C 52 29.661 29.661 28.843 0.818 19002 5300 1 13 . 1 1 52 52 GLU H H 52 8.299 8.299 8.035 0.264 19002 5301 1 13 . 1 1 53 53 GLU N N 53 119.152 119.152 118.242 0.910 19002 5302 1 13 . 1 1 53 53 GLU HA H 53 4.210 4.210 4.084 0.126 19002 5303 1 13 . 1 1 53 53 GLU C C 53 177.740 177.740 178.740 -1.000 19002 5304 1 13 . 1 1 53 53 GLU CA C 53 58.172 58.172 58.940 -0.768 19002 5305 1 13 . 1 1 53 53 GLU CB C 53 29.530 29.530 28.928 0.602 19002 5306 1 13 . 1 1 53 53 GLU H H 53 8.098 8.098 8.075 0.023 19002 5307 1 13 . 1 1 54 54 GLU N N 54 120.097 120.097 116.067 4.030 19002 5308 1 13 . 1 1 54 54 GLU HA H 54 4.212 4.212 4.375 -0.163 19002 5309 1 13 . 1 1 54 54 GLU C C 54 177.443 177.443 178.530 -1.087 19002 5310 1 13 . 1 1 54 54 GLU CA C 54 58.081 58.081 57.903 0.179 19002 5311 1 13 . 1 1 54 54 GLU CB C 54 29.788 29.788 29.934 -0.146 19002 5312 1 13 . 1 1 54 54 GLU H H 54 7.968 7.968 7.913 0.055 19002 5313 1 13 . 1 1 55 55 LEU N N 55 120.563 120.563 120.073 0.490 19002 5314 1 13 . 1 1 55 55 LEU HA H 55 4.288 4.288 4.273 0.015 19002 5315 1 13 . 1 1 55 55 LEU C C 55 177.735 177.735 177.796 -0.061 19002 5316 1 13 . 1 1 55 55 LEU CA C 55 56.070 56.070 55.781 0.289 19002 5317 1 13 . 1 1 55 55 LEU CB C 55 42.062 42.062 41.701 0.361 19002 5318 1 13 . 1 1 55 55 LEU H H 55 7.905 7.905 7.268 0.637 19002 5319 1 13 . 1 1 56 56 LEU N N 56 121.250 121.250 116.763 4.487 19002 5320 1 13 . 1 1 56 56 LEU HA H 56 4.312 4.312 4.163 0.149 19002 5321 1 13 . 1 1 56 56 LEU C C 56 177.726 177.726 177.321 0.405 19002 5322 1 13 . 1 1 56 56 LEU CA C 56 55.979 55.979 56.242 -0.263 19002 5323 1 13 . 1 1 56 56 LEU CB C 56 42.635 42.635 42.021 0.614 19002 5324 1 13 . 1 1 56 56 LEU H H 56 7.859 7.859 7.399 0.460 19002 5325 1 13 . 1 1 57 57 GLU N N 57 120.632 120.632 119.221 1.411 19002 5326 1 13 . 1 1 57 57 GLU HA H 57 4.283 4.283 4.467 -0.184 19002 5327 1 13 . 1 1 57 57 GLU C C 57 176.553 176.553 175.016 1.537 19002 5328 1 13 . 1 1 57 57 GLU CA C 57 57.076 57.076 55.476 1.600 19002 5329 1 13 . 1 1 57 57 GLU CB C 57 30.052 30.052 29.587 0.465 19002 5330 1 13 . 1 1 57 57 GLU H H 57 8.153 8.153 7.418 0.735 19002 5331 1 13 . 1 1 58 58 ARG N N 58 121.282 121.282 123.025 -1.743 19002 5332 1 13 . 1 1 58 58 ARG HA H 58 4.372 4.372 4.606 -0.234 19002 5333 1 13 . 1 1 58 58 ARG C C 58 176.169 176.169 176.660 -0.491 19002 5334 1 13 . 1 1 58 58 ARG CA C 58 56.344 56.344 54.106 2.238 19002 5335 1 13 . 1 1 58 58 ARG CB C 58 31.102 31.102 31.561 -0.459 19002 5336 1 13 . 1 1 58 58 ARG H H 58 8.146 8.146 8.201 -0.055 19002 5337 1 13 . 1 1 59 59 ASP N N 59 121.619 121.619 123.723 -2.104 19002 5338 1 13 . 1 1 59 59 ASP HA H 59 4.639 4.639 4.605 0.034 19002 5339 1 13 . 1 1 59 59 ASP C C 59 176.553 176.553 175.984 0.569 19002 5340 1 13 . 1 1 59 59 ASP CA C 59 54.768 54.768 56.198 -1.430 19002 5341 1 13 . 1 1 59 59 ASP CB C 59 41.256 41.256 40.329 0.927 19002 5342 1 13 . 1 1 59 59 ASP H H 59 8.386 8.386 8.916 -0.530 19002 5343 1 13 . 1 1 60 60 GLU N N 60 121.214 121.214 117.264 3.950 19002 5344 1 13 . 1 1 60 60 GLU HA H 60 4.273 4.273 4.175 0.098 19002 5345 1 13 . 1 1 60 60 GLU C C 60 176.876 176.876 175.954 0.922 19002 5346 1 13 . 1 1 60 60 GLU CA C 60 57.361 57.361 56.814 0.547 19002 5347 1 13 . 1 1 60 60 GLU CB C 60 30.425 30.425 29.628 0.797 19002 5348 1 13 . 1 1 60 60 GLU H H 60 8.372 8.372 8.190 0.182 19002 5349 1 13 . 1 1 61 61 GLU N N 61 121.077 121.077 118.507 2.570 19002 5350 1 13 . 1 1 61 61 GLU HA H 61 4.210 4.210 4.302 -0.092 19002 5351 1 13 . 1 1 61 61 GLU C C 61 176.832 176.832 176.367 0.465 19002 5352 1 13 . 1 1 61 61 GLU CA C 61 57.734 57.734 57.474 0.260 19002 5353 1 13 . 1 1 61 61 GLU CB C 61 30.425 30.425 31.527 -1.102 19002 5354 1 13 . 1 1 61 61 GLU H H 61 8.384 8.384 7.720 0.664 19002 5355 1 13 . 1 1 62 62 GLU N N 62 121.155 121.155 117.270 3.885 19002 5356 1 13 . 1 1 62 62 GLU HA H 62 4.249 4.249 3.903 0.346 19002 5357 1 13 . 1 1 62 62 GLU C C 62 176.432 176.432 175.409 1.023 19002 5358 1 13 . 1 1 62 62 GLU CA C 62 57.137 57.137 54.611 2.526 19002 5359 1 13 . 1 1 62 62 GLU CB C 62 30.425 30.425 32.793 -2.368 19002 5360 1 13 . 1 1 62 62 GLU H H 62 8.300 8.300 7.515 0.785 19002 5361 1 13 . 1 1 63 63 ALA N N 63 124.607 124.607 122.706 1.901 19002 5362 1 13 . 1 1 63 63 ALA HA H 63 4.293 4.293 4.260 0.033 19002 5363 1 13 . 1 1 63 63 ALA C C 63 177.483 177.483 176.917 0.566 19002 5364 1 13 . 1 1 63 63 ALA CA C 63 52.915 52.915 53.124 -0.209 19002 5365 1 13 . 1 1 63 63 ALA CB C 63 19.070 19.070 17.296 1.774 19002 5366 1 13 . 1 1 63 63 ALA H H 63 8.178 8.178 8.379 -0.201 19002 5367 1 13 . 1 1 64 64 ILE N N 64 118.941 118.941 120.259 -1.318 19002 5368 1 13 . 1 1 64 64 ILE HA H 64 4.076 4.076 4.054 0.022 19002 5369 1 13 . 1 1 64 64 ILE C C 64 176.047 176.047 177.030 -0.983 19002 5370 1 13 . 1 1 64 64 ILE CA C 64 61.342 61.342 62.202 -0.860 19002 5371 1 13 . 1 1 64 64 ILE CB C 64 38.700 38.700 38.850 -0.150 19002 5372 1 13 . 1 1 64 64 ILE H H 64 7.872 7.872 8.107 -0.235 19002 5373 1 13 . 1 1 65 65 PHE N N 65 122.809 122.809 119.214 3.595 19002 5374 1 13 . 1 1 65 65 PHE HA H 65 4.615 4.615 4.687 -0.072 19002 5375 1 13 . 1 1 65 65 PHE C C 65 176.270 176.270 175.931 0.339 19002 5376 1 13 . 1 1 65 65 PHE CA C 65 57.807 57.807 55.891 1.916 19002 5377 1 13 . 1 1 65 65 PHE CB C 65 39.827 39.827 36.691 3.136 19002 5378 1 13 . 1 1 65 65 PHE H H 65 8.188 8.188 8.024 0.164 19002 5379 1 13 . 1 1 66 66 GLY N N 66 110.278 110.278 110.461 -0.183 19002 5380 1 13 . 1 1 66 66 GLY C C 66 173.802 173.802 174.422 -0.620 19002 5381 1 13 . 1 1 66 66 GLY CA C 66 45.391 45.391 44.782 0.609 19002 5382 1 13 . 1 1 66 66 GLY H H 66 8.213 8.213 7.689 0.524 19002 5383 1 13 . 1 1 67 67 ASP N N 67 120.510 120.510 124.487 -3.977 19002 5384 1 13 . 1 1 67 67 ASP HA H 67 4.599 4.599 4.668 -0.069 19002 5385 1 13 . 1 1 67 67 ASP C C 67 176.897 176.897 175.930 0.967 19002 5386 1 13 . 1 1 67 67 ASP CA C 67 54.425 54.425 54.164 0.261 19002 5387 1 13 . 1 1 67 67 ASP CB C 67 41.265 41.265 41.933 -0.668 19002 5388 1 13 . 1 1 67 67 ASP H H 67 8.254 8.254 8.064 0.190 19002 5389 1 13 . 1 1 68 68 GLY N N 68 108.789 108.789 105.919 2.870 19002 5390 1 13 . 1 1 68 68 GLY C C 68 174.307 174.307 173.739 0.568 19002 5391 1 13 . 1 1 68 68 GLY CA C 68 46.020 46.020 44.799 1.221 19002 5392 1 13 . 1 1 68 68 GLY H H 68 8.342 8.342 8.184 0.158 19002 5393 1 13 . 1 1 69 69 PHE N N 69 119.903 119.903 115.684 4.219 19002 5394 1 13 . 1 1 69 69 PHE HA H 69 4.599 4.599 5.072 -0.473 19002 5395 1 13 . 1 1 69 69 PHE C C 69 176.432 176.432 175.350 1.082 19002 5396 1 13 . 1 1 69 69 PHE CA C 69 58.146 58.146 55.571 2.575 19002 5397 1 13 . 1 1 69 69 PHE CB C 69 39.339 39.339 39.569 -0.230 19002 5398 1 13 . 1 1 69 69 PHE H H 69 8.178 8.178 8.120 0.058 19002 5399 1 13 . 1 1 70 70 GLY N N 70 110.089 110.089 112.388 -2.299 19002 5400 1 13 . 1 1 70 70 GLY C C 70 174.227 174.227 174.183 0.044 19002 5401 1 13 . 1 1 70 70 GLY CA C 70 45.628 45.628 44.796 0.832 19002 5402 1 13 . 1 1 70 70 GLY H H 70 8.382 8.382 9.069 -0.687 19002 5403 1 13 . 1 1 71 71 LEU N N 71 121.600 121.600 120.324 1.276 19002 5404 1 13 . 1 1 71 71 LEU HA H 71 4.290 4.290 4.389 -0.099 19002 5405 1 13 . 1 1 71 71 LEU C C 71 177.645 177.645 177.479 0.166 19002 5406 1 13 . 1 1 71 71 LEU CA C 71 55.500 55.500 56.063 -0.563 19002 5407 1 13 . 1 1 71 71 LEU CB C 71 42.400 42.400 42.490 -0.090 19002 5408 1 13 . 1 1 71 71 LEU H H 71 8.069 8.069 7.742 0.327 19002 5409 1 13 . 1 1 72 72 LYS N N 72 121.214 121.214 119.798 1.416 19002 5410 1 13 . 1 1 72 72 LYS HA H 72 4.283 4.283 4.126 0.157 19002 5411 1 13 . 1 1 72 72 LYS C C 72 176.553 176.553 177.429 -0.876 19002 5412 1 13 . 1 1 72 72 LYS CA C 72 56.594 56.594 58.234 -1.640 19002 5413 1 13 . 1 1 72 72 LYS CB C 72 32.765 32.765 32.756 0.009 19002 5414 1 13 . 1 1 72 72 LYS H H 72 8.372 8.372 8.398 -0.026 19002 5415 1 13 . 1 1 73 73 ALA N N 73 124.187 124.187 122.380 1.807 19002 5416 1 13 . 1 1 73 73 ALA HA H 73 4.347 4.347 4.501 -0.154 19002 5417 1 13 . 1 1 73 73 ALA C C 73 178.009 178.009 177.578 0.431 19002 5418 1 13 . 1 1 73 73 ALA CA C 73 52.597 52.597 51.569 1.028 19002 5419 1 13 . 1 1 73 73 ALA CB C 73 19.239 19.239 17.039 2.200 19002 5420 1 13 . 1 1 73 73 ALA H H 73 8.188 8.188 8.226 -0.038 19002 5421 1 13 . 1 1 74 74 THR N N 74 112.973 112.973 114.610 -1.637 19002 5422 1 13 . 1 1 74 74 THR HA H 74 4.339 4.339 4.085 0.254 19002 5423 1 13 . 1 1 74 74 THR C C 74 174.753 174.753 175.257 -0.504 19002 5424 1 13 . 1 1 74 74 THR CA C 74 62.046 62.046 63.593 -1.547 19002 5425 1 13 . 1 1 74 74 THR CB C 74 69.779 69.779 69.374 0.405 19002 5426 1 13 . 1 1 74 74 THR H H 74 8.054 8.054 8.027 0.027 19002 5427 1 13 . 1 1 75 75 ARG N N 75 123.112 123.112 119.359 3.753 19002 5428 1 13 . 1 1 75 75 ARG HA H 75 4.371 4.371 3.965 0.406 19002 5429 1 13 . 1 1 75 75 ARG C C 75 176.411 176.411 175.807 0.604 19002 5430 1 13 . 1 1 75 75 ARG CA C 75 56.801 56.801 56.537 0.264 19002 5431 1 13 . 1 1 75 75 ARG CB C 75 30.798 30.798 28.259 2.539 19002 5432 1 13 . 1 1 75 75 ARG H H 75 8.296 8.296 8.524 -0.228 19002 5433 1 13 . 1 1 76 76 ARG N N 76 121.977 121.977 119.729 2.248 19002 5434 1 13 . 1 1 76 76 ARG HA H 76 4.362 4.362 4.332 0.030 19002 5435 1 13 . 1 1 76 76 ARG C C 76 176.411 176.411 176.416 -0.005 19002 5436 1 13 . 1 1 76 76 ARG CA C 76 56.689 56.689 55.653 1.036 19002 5437 1 13 . 1 1 76 76 ARG CB C 76 30.873 30.873 30.932 -0.059 19002 5438 1 13 . 1 1 76 76 ARG H H 76 8.360 8.360 8.334 0.026 19002 5439 1 13 . 1 1 77 77 SER N N 77 116.981 116.981 117.448 -0.467 19002 5440 1 13 . 1 1 77 77 SER HA H 77 4.483 4.483 4.338 0.145 19002 5441 1 13 . 1 1 77 77 SER C C 77 174.672 174.672 175.059 -0.387 19002 5442 1 13 . 1 1 77 77 SER CA C 77 58.497 58.497 59.285 -0.788 19002 5443 1 13 . 1 1 77 77 SER CB C 77 63.839 63.839 62.299 1.540 19002 5444 1 13 . 1 1 77 77 SER H H 77 8.325 8.325 8.557 -0.232 19002 5445 1 13 . 1 1 78 78 ARG N N 78 123.324 123.324 125.172 -1.848 19002 5446 1 13 . 1 1 78 78 ARG HA H 78 4.377 4.377 4.130 0.247 19002 5447 1 13 . 1 1 78 78 ARG C C 78 176.492 176.492 176.834 -0.342 19002 5448 1 13 . 1 1 78 78 ARG CA C 78 56.619 56.619 58.261 -1.641 19002 5449 1 13 . 1 1 78 78 ARG CB C 78 30.873 30.873 30.592 0.281 19002 5450 1 13 . 1 1 78 78 ARG H H 78 8.421 8.421 8.031 0.390 19002 5451 1 13 . 1 1 79 79 LYS N N 79 122.352 122.352 119.184 3.168 19002 5452 1 13 . 1 1 79 79 LYS HA H 79 4.266 4.266 4.395 -0.129 19002 5453 1 13 . 1 1 79 79 LYS C C 79 176.472 176.472 175.824 0.648 19002 5454 1 13 . 1 1 79 79 LYS CA C 79 57.076 57.076 55.875 1.201 19002 5455 1 13 . 1 1 79 79 LYS CB C 79 33.186 33.186 31.304 1.882 19002 5456 1 13 . 1 1 79 79 LYS H H 79 8.300 8.300 8.152 0.148 19002 5457 1 13 . 1 1 80 80 ALA N N 80 124.816 124.816 122.877 1.939 19002 5458 1 13 . 1 1 80 80 ALA HA H 80 4.308 4.308 4.201 0.107 19002 5459 1 13 . 1 1 80 80 ALA C C 80 177.787 177.787 178.044 -0.257 19002 5460 1 13 . 1 1 80 80 ALA CA C 80 52.597 52.597 54.108 -1.511 19002 5461 1 13 . 1 1 80 80 ALA CB C 80 19.180 19.180 19.203 -0.023 19002 5462 1 13 . 1 1 80 80 ALA H H 80 8.269 8.269 7.901 0.368 19002 5463 1 13 . 1 1 81 81 GLU N N 81 120.243 120.243 118.103 2.140 19002 5464 1 13 . 1 1 81 81 GLU HA H 81 4.278 4.278 4.283 -0.005 19002 5465 1 13 . 1 1 81 81 GLU C C 81 176.614 176.614 176.088 0.526 19002 5466 1 13 . 1 1 81 81 GLU CA C 81 56.893 56.893 56.097 0.796 19002 5467 1 13 . 1 1 81 81 GLU CB C 81 30.374 30.374 30.453 -0.078 19002 5468 1 13 . 1 1 81 81 GLU H H 81 8.283 8.283 8.385 -0.102 19002 5469 1 13 . 1 1 82 82 ARG N N 82 121.743 121.743 118.887 2.856 19002 5470 1 13 . 1 1 82 82 ARG HA H 82 4.378 4.378 4.164 0.214 19002 5471 1 13 . 1 1 82 82 ARG C C 82 175.946 175.946 175.485 0.461 19002 5472 1 13 . 1 1 82 82 ARG CA C 82 56.047 56.047 56.273 -0.226 19002 5473 1 13 . 1 1 82 82 ARG CB C 82 30.757 30.757 27.879 2.878 19002 5474 1 13 . 1 1 82 82 ARG H H 82 8.256 8.256 8.440 -0.184 19002 5475 1 13 . 1 1 83 83 ALA N N 83 125.049 125.049 120.916 4.133 19002 5476 1 13 . 1 1 83 83 ALA HA H 83 4.313 4.313 4.089 0.224 19002 5477 1 13 . 1 1 83 83 ALA C C 83 177.322 177.322 177.750 -0.428 19002 5478 1 13 . 1 1 83 83 ALA CA C 83 52.872 52.872 53.357 -0.485 19002 5479 1 13 . 1 1 83 83 ALA CB C 83 19.239 19.239 19.427 -0.188 19002 5480 1 13 . 1 1 83 83 ALA H H 83 8.241 8.241 8.449 -0.208 19002 5481 1 13 . 1 1 84 84 LYS N N 84 121.088 121.088 117.753 3.335 19002 5482 1 13 . 1 1 84 84 LYS HA H 84 4.286 4.286 4.553 -0.267 19002 5483 1 13 . 1 1 84 84 LYS C C 84 175.460 175.460 176.735 -1.275 19002 5484 1 13 . 1 1 84 84 LYS CA C 84 56.316 56.316 55.737 0.579 19002 5485 1 13 . 1 1 84 84 LYS CB C 84 32.923 32.923 32.834 0.089 19002 5486 1 13 . 1 1 84 84 LYS H H 84 8.186 8.186 8.068 0.118 19002 5487 1 14 . 1 1 12 12 ARG N N 12 121.400 121.400 123.476 -2.076 19002 5488 1 14 . 1 1 12 12 ARG HA H 12 4.640 4.640 4.632 0.008 19002 5489 1 14 . 1 1 12 12 ARG C C 12 174.242 174.242 174.893 -0.651 19002 5490 1 14 . 1 1 12 12 ARG CA C 12 53.900 53.900 54.717 -0.817 19002 5491 1 14 . 1 1 12 12 ARG CB C 12 30.400 30.400 30.962 -0.562 19002 5492 1 14 . 1 1 12 12 ARG H H 12 8.140 8.140 8.434 -0.294 19002 5493 1 14 . 1 1 13 13 PRO HA H 13 4.457 4.457 4.457 0.000 19002 5494 1 14 . 1 1 13 13 PRO C C 13 177.524 177.524 177.711 -0.187 19002 5495 1 14 . 1 1 13 13 PRO CA C 13 63.259 63.259 62.538 0.721 19002 5496 1 14 . 1 1 13 13 PRO CB C 13 32.067 32.067 32.285 -0.218 19002 5497 1 14 . 1 1 14 14 GLY N N 14 109.192 109.192 106.366 2.826 19002 5498 1 14 . 1 1 14 14 GLY C C 14 174.227 174.227 175.277 -1.050 19002 5499 1 14 . 1 1 14 14 GLY CA C 14 45.497 45.497 45.298 0.199 19002 5500 1 14 . 1 1 14 14 GLY H H 14 8.467 8.467 8.378 0.089 19002 5501 1 14 . 1 1 15 15 VAL N N 15 119.157 119.157 115.264 3.893 19002 5502 1 14 . 1 1 15 15 VAL HA H 15 4.081 4.081 4.220 -0.139 19002 5503 1 14 . 1 1 15 15 VAL C C 15 175.986 175.986 175.498 0.488 19002 5504 1 14 . 1 1 15 15 VAL CA C 15 62.529 62.529 62.434 0.095 19002 5505 1 14 . 1 1 15 15 VAL CB C 15 32.491 32.491 32.251 0.240 19002 5506 1 14 . 1 1 15 15 VAL H H 15 7.837 7.837 7.456 0.381 19002 5507 1 14 . 1 1 16 16 PHE N N 16 123.110 123.110 120.458 2.652 19002 5508 1 14 . 1 1 16 16 PHE HA H 16 4.614 4.614 4.722 -0.108 19002 5509 1 14 . 1 1 16 16 PHE C C 16 175.804 175.804 173.312 2.492 19002 5510 1 14 . 1 1 16 16 PHE CA C 16 58.398 58.398 57.517 0.880 19002 5511 1 14 . 1 1 16 16 PHE CB C 16 39.475 39.475 40.233 -0.758 19002 5512 1 14 . 1 1 16 16 PHE H H 16 8.265 8.265 7.581 0.684 19002 5513 1 14 . 1 1 17 17 ARG N N 17 122.074 122.074 126.814 -4.740 19002 5514 1 14 . 1 1 17 17 ARG HA H 17 4.323 4.323 4.550 -0.227 19002 5515 1 14 . 1 1 17 17 ARG C C 17 176.452 176.452 175.961 0.491 19002 5516 1 14 . 1 1 17 17 ARG CA C 17 56.710 56.710 54.658 2.052 19002 5517 1 14 . 1 1 17 17 ARG CB C 17 30.937 30.937 29.542 1.395 19002 5518 1 14 . 1 1 17 17 ARG H H 17 8.155 8.155 8.372 -0.217 19002 5519 1 14 . 1 1 18 18 THR N N 18 114.223 114.223 116.525 -2.302 19002 5520 1 14 . 1 1 18 18 THR HA H 18 4.231 4.231 3.741 0.490 19002 5521 1 14 . 1 1 18 18 THR C C 18 174.348 174.348 175.743 -1.395 19002 5522 1 14 . 1 1 18 18 THR CA C 18 62.410 62.410 63.503 -1.093 19002 5523 1 14 . 1 1 18 18 THR CB C 18 69.509 69.509 69.217 0.292 19002 5524 1 14 . 1 1 18 18 THR H H 18 8.015 8.015 8.112 -0.097 19002 5525 1 14 . 1 1 19 19 ARG N N 19 120.957 120.957 120.049 0.908 19002 5526 1 14 . 1 1 19 19 ARG HA H 19 4.323 4.323 3.937 0.386 19002 5527 1 14 . 1 1 19 19 ARG C C 19 175.986 175.986 175.776 0.210 19002 5528 1 14 . 1 1 19 19 ARG CA C 19 56.093 56.093 57.914 -1.821 19002 5529 1 14 . 1 1 19 19 ARG CB C 19 30.480 30.480 29.191 1.290 19002 5530 1 14 . 1 1 19 19 ARG H H 19 8.080 8.080 8.256 -0.176 19002 5531 1 14 . 1 1 20 20 GLY N N 20 107.963 107.963 105.428 2.535 19002 5532 1 14 . 1 1 20 20 GLY C C 20 173.802 173.802 172.936 0.866 19002 5533 1 14 . 1 1 20 20 GLY CA C 20 45.273 45.273 45.010 0.263 19002 5534 1 14 . 1 1 20 20 GLY H H 20 8.241 8.241 8.285 -0.044 19002 5535 1 14 . 1 1 21 21 LEU N N 21 121.181 121.181 123.221 -2.040 19002 5536 1 14 . 1 1 21 21 LEU HA H 21 4.770 4.770 4.433 0.337 19002 5537 1 14 . 1 1 21 21 LEU C C 21 178.414 178.414 177.126 1.288 19002 5538 1 14 . 1 1 21 21 LEU CA C 21 54.677 54.677 55.202 -0.525 19002 5539 1 14 . 1 1 21 21 LEU CB C 21 43.142 43.142 42.208 0.934 19002 5540 1 14 . 1 1 21 21 LEU H H 21 7.967 7.967 7.623 0.344 19002 5541 1 14 . 1 1 22 22 THR N N 22 114.494 114.494 117.669 -3.175 19002 5542 1 14 . 1 1 22 22 THR HA H 22 4.558 4.558 4.369 0.189 19002 5543 1 14 . 1 1 22 22 THR C C 22 175.359 175.359 175.277 0.082 19002 5544 1 14 . 1 1 22 22 THR CA C 22 61.316 61.316 60.858 0.458 19002 5545 1 14 . 1 1 22 22 THR CB C 22 71.015 71.015 70.280 0.735 19002 5546 1 14 . 1 1 22 22 THR H H 22 9.075 9.075 8.004 1.071 19002 5547 1 14 . 1 1 23 23 ASP N N 23 121.204 121.204 120.433 0.771 19002 5548 1 14 . 1 1 23 23 ASP HA H 23 4.485 4.485 4.344 0.141 19002 5549 1 14 . 1 1 23 23 ASP C C 23 178.697 178.697 178.164 0.533 19002 5550 1 14 . 1 1 23 23 ASP CA C 23 58.315 58.315 58.144 0.171 19002 5551 1 14 . 1 1 23 23 ASP CB C 23 39.931 39.931 40.784 -0.853 19002 5552 1 14 . 1 1 23 23 ASP H H 23 8.943 8.943 8.784 0.159 19002 5553 1 14 . 1 1 24 24 GLU N N 24 119.241 119.241 117.990 1.251 19002 5554 1 14 . 1 1 24 24 GLU HA H 24 4.199 4.199 4.154 0.045 19002 5555 1 14 . 1 1 24 24 GLU C C 24 179.911 179.911 179.334 0.577 19002 5556 1 14 . 1 1 24 24 GLU CA C 24 59.973 59.973 59.586 0.387 19002 5557 1 14 . 1 1 24 24 GLU CB C 24 29.306 29.306 29.206 0.100 19002 5558 1 14 . 1 1 24 24 GLU H H 24 8.741 8.741 8.783 -0.042 19002 5559 1 14 . 1 1 25 25 GLU N N 25 121.151 121.151 120.729 0.422 19002 5560 1 14 . 1 1 25 25 GLU HA H 25 4.200 4.200 4.280 -0.080 19002 5561 1 14 . 1 1 25 25 GLU C C 25 178.394 178.394 179.101 -0.707 19002 5562 1 14 . 1 1 25 25 GLU CA C 25 59.178 59.178 58.947 0.231 19002 5563 1 14 . 1 1 25 25 GLU CB C 25 30.873 30.873 29.605 1.268 19002 5564 1 14 . 1 1 25 25 GLU H H 25 7.801 7.801 7.668 0.133 19002 5565 1 14 . 1 1 26 26 TYR N N 26 120.692 120.692 121.010 -0.318 19002 5566 1 14 . 1 1 26 26 TYR HA H 26 4.184 4.184 4.155 0.029 19002 5567 1 14 . 1 1 26 26 TYR C C 26 177.483 177.483 177.727 -0.244 19002 5568 1 14 . 1 1 26 26 TYR CA C 26 61.924 61.924 61.477 0.447 19002 5569 1 14 . 1 1 26 26 TYR CB C 26 37.837 37.837 38.658 -0.821 19002 5570 1 14 . 1 1 26 26 TYR H H 26 8.897 8.897 8.778 0.119 19002 5571 1 14 . 1 1 27 27 ASP N N 27 118.898 118.898 119.075 -0.177 19002 5572 1 14 . 1 1 27 27 ASP HA H 27 4.338 4.338 4.220 0.118 19002 5573 1 14 . 1 1 27 27 ASP C C 27 178.535 178.535 178.072 0.463 19002 5574 1 14 . 1 1 27 27 ASP CA C 27 57.864 57.864 57.800 0.064 19002 5575 1 14 . 1 1 27 27 ASP CB C 27 40.797 40.797 40.745 0.052 19002 5576 1 14 . 1 1 27 27 ASP H H 27 8.135 8.135 8.574 -0.439 19002 5577 1 14 . 1 1 28 28 GLU N N 28 121.020 121.020 120.452 0.568 19002 5578 1 14 . 1 1 28 28 GLU HA H 28 4.101 4.101 4.079 0.022 19002 5579 1 14 . 1 1 28 28 GLU C C 28 178.394 178.394 178.576 -0.182 19002 5580 1 14 . 1 1 28 28 GLU CA C 28 59.450 59.450 59.182 0.268 19002 5581 1 14 . 1 1 28 28 GLU CB C 28 29.231 29.231 29.511 -0.280 19002 5582 1 14 . 1 1 28 28 GLU H H 28 7.655 7.655 7.876 -0.221 19002 5583 1 14 . 1 1 29 29 PHE N N 29 121.567 121.567 120.725 0.842 19002 5584 1 14 . 1 1 29 29 PHE HA H 29 3.765 3.765 4.050 -0.285 19002 5585 1 14 . 1 1 29 29 PHE C C 29 176.169 176.169 177.120 -0.951 19002 5586 1 14 . 1 1 29 29 PHE CA C 29 61.371 61.371 60.353 1.018 19002 5587 1 14 . 1 1 29 29 PHE CB C 29 37.588 37.588 38.368 -0.780 19002 5588 1 14 . 1 1 29 29 PHE H H 29 8.471 8.471 8.331 0.140 19002 5589 1 14 . 1 1 30 30 LYS N N 30 118.916 118.916 119.546 -0.630 19002 5590 1 14 . 1 1 30 30 LYS HA H 30 3.137 3.137 3.308 -0.171 19002 5591 1 14 . 1 1 30 30 LYS C C 30 179.445 179.445 178.717 0.728 19002 5592 1 14 . 1 1 30 30 LYS CA C 30 60.346 60.346 59.986 0.360 19002 5593 1 14 . 1 1 30 30 LYS CB C 30 31.992 31.992 31.879 0.113 19002 5594 1 14 . 1 1 30 30 LYS H H 30 8.287 8.287 8.167 0.120 19002 5595 1 14 . 1 1 31 31 LYS N N 31 120.113 120.113 119.145 0.968 19002 5596 1 14 . 1 1 31 31 LYS HA H 31 4.018 4.018 3.900 0.118 19002 5597 1 14 . 1 1 31 31 LYS C C 31 179.918 179.918 179.379 0.539 19002 5598 1 14 . 1 1 31 31 LYS CA C 31 59.700 59.700 59.751 -0.051 19002 5599 1 14 . 1 1 31 31 LYS CB C 31 32.300 32.300 32.219 0.080 19002 5600 1 14 . 1 1 31 31 LYS H H 31 7.690 7.690 8.016 -0.326 19002 5601 1 14 . 1 1 32 32 ARG N N 32 121.200 121.200 118.464 2.736 19002 5602 1 14 . 1 1 32 32 ARG HA H 32 3.893 3.893 3.887 0.006 19002 5603 1 14 . 1 1 32 32 ARG C C 32 178.990 178.990 178.969 0.021 19002 5604 1 14 . 1 1 32 32 ARG CA C 32 59.452 59.452 59.221 0.231 19002 5605 1 14 . 1 1 32 32 ARG CB C 32 31.284 31.284 30.073 1.211 19002 5606 1 14 . 1 1 32 32 ARG H H 32 8.299 8.299 8.395 -0.096 19002 5607 1 14 . 1 1 33 33 ARG N N 33 120.223 120.223 120.668 -0.445 19002 5608 1 14 . 1 1 33 33 ARG HA H 33 3.698 3.698 4.038 -0.340 19002 5609 1 14 . 1 1 33 33 ARG C C 33 178.697 178.697 177.857 0.840 19002 5610 1 14 . 1 1 33 33 ARG CA C 33 59.607 59.607 59.258 0.349 19002 5611 1 14 . 1 1 33 33 ARG CB C 33 29.570 29.570 29.839 -0.269 19002 5612 1 14 . 1 1 33 33 ARG H H 33 8.704 8.704 8.390 0.314 19002 5613 1 14 . 1 1 34 34 GLU N N 34 119.860 119.860 119.146 0.714 19002 5614 1 14 . 1 1 34 34 GLU HA H 34 4.046 4.046 3.980 0.066 19002 5615 1 14 . 1 1 34 34 GLU C C 34 179.850 179.850 179.223 0.627 19002 5616 1 14 . 1 1 34 34 GLU CA C 34 59.210 59.210 59.343 -0.133 19002 5617 1 14 . 1 1 34 34 GLU CB C 34 29.380 29.380 29.309 0.071 19002 5618 1 14 . 1 1 34 34 GLU H H 34 7.941 7.941 8.598 -0.657 19002 5619 1 14 . 1 1 35 35 SER N N 35 115.261 115.261 115.927 -0.666 19002 5620 1 14 . 1 1 35 35 SER HA H 35 4.378 4.378 4.221 0.157 19002 5621 1 14 . 1 1 35 35 SER C C 35 175.339 175.339 176.069 -0.730 19002 5622 1 14 . 1 1 35 35 SER CA C 35 60.068 60.068 60.690 -0.622 19002 5623 1 14 . 1 1 35 35 SER CB C 35 63.321 63.321 63.211 0.111 19002 5624 1 14 . 1 1 35 35 SER H H 35 7.813 7.813 8.014 -0.201 19002 5625 1 14 . 1 1 36 36 ARG N N 36 119.557 119.557 119.715 -0.158 19002 5626 1 14 . 1 1 36 36 ARG HA H 36 4.439 4.439 4.482 -0.043 19002 5627 1 14 . 1 1 36 36 ARG C C 36 177.524 177.524 175.775 1.749 19002 5628 1 14 . 1 1 36 36 ARG CA C 36 55.794 55.794 54.636 1.158 19002 5629 1 14 . 1 1 36 36 ARG CB C 36 30.276 30.276 30.159 0.117 19002 5630 1 14 . 1 1 36 36 ARG H H 36 7.459 7.459 7.345 0.114 19002 5631 1 14 . 1 1 37 37 GLY N N 37 109.722 109.722 106.790 2.932 19002 5632 1 14 . 1 1 37 37 GLY C C 37 175.117 175.117 175.317 -0.200 19002 5633 1 14 . 1 1 37 37 GLY CA C 37 46.691 46.691 45.587 1.104 19002 5634 1 14 . 1 1 37 37 GLY H H 37 7.981 7.981 8.030 -0.049 19002 5635 1 14 . 1 1 38 38 GLY N N 38 104.904 104.904 106.573 -1.669 19002 5636 1 14 . 1 1 38 38 GLY C C 38 174.489 174.489 175.073 -0.584 19002 5637 1 14 . 1 1 38 38 GLY CA C 38 45.012 45.012 44.890 0.122 19002 5638 1 14 . 1 1 38 38 GLY H H 38 8.271 8.271 8.682 -0.411 19002 5639 1 14 . 1 1 39 39 LYS N N 39 122.169 122.169 123.328 -1.159 19002 5640 1 14 . 1 1 39 39 LYS HA H 39 4.515 4.515 4.412 0.103 19002 5641 1 14 . 1 1 39 39 LYS C C 39 174.995 174.995 175.097 -0.102 19002 5642 1 14 . 1 1 39 39 LYS CA C 39 55.622 55.622 55.892 -0.270 19002 5643 1 14 . 1 1 39 39 LYS CB C 39 30.846 30.846 31.641 -0.795 19002 5644 1 14 . 1 1 39 39 LYS H H 39 7.471 7.471 7.661 -0.190 19002 5645 1 14 . 1 1 40 40 TYR N N 40 123.749 123.749 123.271 0.478 19002 5646 1 14 . 1 1 40 40 TYR HA H 40 4.893 4.893 4.720 0.173 19002 5647 1 14 . 1 1 40 40 TYR C C 40 173.883 173.883 173.969 -0.086 19002 5648 1 14 . 1 1 40 40 TYR CA C 40 58.629 58.629 57.132 1.498 19002 5649 1 14 . 1 1 40 40 TYR CB C 40 40.871 40.871 41.128 -0.257 19002 5650 1 14 . 1 1 40 40 TYR H H 40 7.687 7.687 8.187 -0.500 19002 5651 1 14 . 1 1 41 41 SER N N 41 124.561 124.561 122.999 1.562 19002 5652 1 14 . 1 1 41 41 SER HA H 41 5.061 5.061 4.744 0.317 19002 5653 1 14 . 1 1 41 41 SER C C 41 175.258 175.258 174.968 0.290 19002 5654 1 14 . 1 1 41 41 SER CA C 41 56.913 56.913 57.253 -0.340 19002 5655 1 14 . 1 1 41 41 SER CB C 41 67.136 67.136 64.278 2.858 19002 5656 1 14 . 1 1 41 41 SER H H 41 9.246 9.246 8.126 1.120 19002 5657 1 14 . 1 1 42 42 ILE N N 42 122.298 122.298 121.986 0.312 19002 5658 1 14 . 1 1 42 42 ILE HA H 42 3.384 3.384 2.994 0.390 19002 5659 1 14 . 1 1 42 42 ILE C C 42 176.573 176.573 176.731 -0.158 19002 5660 1 14 . 1 1 42 42 ILE CA C 42 63.317 63.317 64.241 -0.924 19002 5661 1 14 . 1 1 42 42 ILE CB C 42 37.290 37.290 38.035 -0.745 19002 5662 1 14 . 1 1 42 42 ILE H H 42 8.848 8.848 8.919 -0.071 19002 5663 1 14 . 1 1 43 43 ASP N N 43 118.987 118.987 120.383 -1.396 19002 5664 1 14 . 1 1 43 43 ASP HA H 43 4.317 4.317 4.236 0.081 19002 5665 1 14 . 1 1 43 43 ASP C C 43 178.940 178.940 177.900 1.040 19002 5666 1 14 . 1 1 43 43 ASP CA C 43 57.809 57.809 59.306 -1.496 19002 5667 1 14 . 1 1 43 43 ASP CB C 43 40.722 40.722 39.815 0.907 19002 5668 1 14 . 1 1 43 43 ASP H H 43 7.673 7.673 8.587 -0.914 19002 5669 1 14 . 1 1 44 44 ASP N N 44 121.961 121.961 119.231 2.730 19002 5670 1 14 . 1 1 44 44 ASP HA H 44 4.259 4.259 4.369 -0.110 19002 5671 1 14 . 1 1 44 44 ASP C C 44 177.564 177.564 177.938 -0.374 19002 5672 1 14 . 1 1 44 44 ASP CA C 44 57.624 57.624 57.267 0.356 19002 5673 1 14 . 1 1 44 44 ASP CB C 44 41.244 41.244 40.243 1.001 19002 5674 1 14 . 1 1 44 44 ASP H H 44 7.610 7.610 8.365 -0.755 19002 5675 1 14 . 1 1 45 45 TYR N N 45 121.352 121.352 121.488 -0.136 19002 5676 1 14 . 1 1 45 45 TYR HA H 45 4.676 4.676 4.470 0.206 19002 5677 1 14 . 1 1 45 45 TYR C C 45 177.362 177.362 177.175 0.187 19002 5678 1 14 . 1 1 45 45 TYR CA C 45 60.703 60.703 61.028 -0.325 19002 5679 1 14 . 1 1 45 45 TYR CB C 45 38.747 38.747 38.822 -0.075 19002 5680 1 14 . 1 1 45 45 TYR H H 45 7.750 7.750 7.288 0.462 19002 5681 1 14 . 1 1 46 46 LEU N N 46 118.650 118.650 119.558 -0.908 19002 5682 1 14 . 1 1 46 46 LEU HA H 46 3.697 3.697 3.729 -0.032 19002 5683 1 14 . 1 1 46 46 LEU C C 46 179.850 179.850 179.091 0.759 19002 5684 1 14 . 1 1 46 46 LEU CA C 46 57.807 57.807 57.486 0.321 19002 5685 1 14 . 1 1 46 46 LEU CB C 46 41.205 41.205 41.397 -0.191 19002 5686 1 14 . 1 1 46 46 LEU H H 46 8.544 8.544 8.759 -0.215 19002 5687 1 14 . 1 1 47 47 ALA N N 47 121.991 121.991 121.444 0.547 19002 5688 1 14 . 1 1 47 47 ALA HA H 47 4.190 4.190 3.965 0.225 19002 5689 1 14 . 1 1 47 47 ALA C C 47 180.457 180.457 179.308 1.149 19002 5690 1 14 . 1 1 47 47 ALA CA C 47 55.048 55.048 55.103 -0.055 19002 5691 1 14 . 1 1 47 47 ALA CB C 47 18.337 18.337 18.126 0.211 19002 5692 1 14 . 1 1 47 47 ALA H H 47 7.716 7.716 8.258 -0.542 19002 5693 1 14 . 1 1 48 48 ASP N N 48 120.788 120.788 118.587 2.201 19002 5694 1 14 . 1 1 48 48 ASP HA H 48 4.505 4.505 4.386 0.119 19002 5695 1 14 . 1 1 48 48 ASP C C 48 178.596 178.596 178.110 0.486 19002 5696 1 14 . 1 1 48 48 ASP CA C 48 57.361 57.361 56.759 0.602 19002 5697 1 14 . 1 1 48 48 ASP CB C 48 40.076 40.076 41.162 -1.086 19002 5698 1 14 . 1 1 48 48 ASP H H 48 8.316 8.316 7.567 0.749 19002 5699 1 14 . 1 1 49 49 ARG N N 49 120.274 120.274 120.243 0.031 19002 5700 1 14 . 1 1 49 49 ARG HA H 49 3.952 3.952 3.907 0.045 19002 5701 1 14 . 1 1 49 49 ARG C C 49 178.454 178.454 178.264 0.190 19002 5702 1 14 . 1 1 49 49 ARG CA C 49 58.133 58.133 58.965 -0.832 19002 5703 1 14 . 1 1 49 49 ARG CB C 49 29.231 29.231 29.918 -0.687 19002 5704 1 14 . 1 1 49 49 ARG H H 49 8.459 8.459 8.198 0.261 19002 5705 1 14 . 1 1 50 50 GLU N N 50 118.834 118.834 116.818 2.016 19002 5706 1 14 . 1 1 50 50 GLU HA H 50 4.101 4.101 4.186 -0.085 19002 5707 1 14 . 1 1 50 50 GLU C C 50 178.353 178.353 178.587 -0.234 19002 5708 1 14 . 1 1 50 50 GLU CA C 50 58.928 58.928 59.065 -0.137 19002 5709 1 14 . 1 1 50 50 GLU CB C 50 29.530 29.530 29.104 0.426 19002 5710 1 14 . 1 1 50 50 GLU H H 50 7.734 7.734 7.883 -0.149 19002 5711 1 14 . 1 1 51 51 ARG N N 51 119.239 119.239 117.690 1.549 19002 5712 1 14 . 1 1 51 51 ARG HA H 51 4.240 4.240 4.251 -0.011 19002 5713 1 14 . 1 1 51 51 ARG C C 51 178.370 178.370 178.496 -0.126 19002 5714 1 14 . 1 1 51 51 ARG CA C 51 58.105 58.105 58.228 -0.123 19002 5715 1 14 . 1 1 51 51 ARG CB C 51 30.649 30.649 30.809 -0.161 19002 5716 1 14 . 1 1 51 51 ARG H H 51 7.694 7.694 7.458 0.236 19002 5717 1 14 . 1 1 52 52 GLU N N 52 119.667 119.667 120.065 -0.398 19002 5718 1 14 . 1 1 52 52 GLU HA H 52 4.099 4.099 3.886 0.213 19002 5719 1 14 . 1 1 52 52 GLU C C 52 178.370 178.370 178.765 -0.395 19002 5720 1 14 . 1 1 52 52 GLU CA C 52 58.538 58.538 59.604 -1.066 19002 5721 1 14 . 1 1 52 52 GLU CB C 52 29.661 29.661 29.300 0.361 19002 5722 1 14 . 1 1 52 52 GLU H H 52 8.299 8.299 8.393 -0.094 19002 5723 1 14 . 1 1 53 53 GLU N N 53 119.152 119.152 116.581 2.571 19002 5724 1 14 . 1 1 53 53 GLU HA H 53 4.210 4.210 3.982 0.228 19002 5725 1 14 . 1 1 53 53 GLU C C 53 177.740 177.740 178.876 -1.136 19002 5726 1 14 . 1 1 53 53 GLU CA C 53 58.172 58.172 58.984 -0.812 19002 5727 1 14 . 1 1 53 53 GLU CB C 53 29.530 29.530 29.133 0.397 19002 5728 1 14 . 1 1 53 53 GLU H H 53 8.098 8.098 8.018 0.080 19002 5729 1 14 . 1 1 54 54 GLU N N 54 120.097 120.097 116.433 3.664 19002 5730 1 14 . 1 1 54 54 GLU HA H 54 4.212 4.212 4.242 -0.030 19002 5731 1 14 . 1 1 54 54 GLU C C 54 177.443 177.443 177.013 0.430 19002 5732 1 14 . 1 1 54 54 GLU CA C 54 58.081 58.081 57.126 0.956 19002 5733 1 14 . 1 1 54 54 GLU CB C 54 29.788 29.788 29.849 -0.061 19002 5734 1 14 . 1 1 54 54 GLU H H 54 7.968 7.968 7.763 0.205 19002 5735 1 14 . 1 1 55 55 LEU N N 55 120.563 120.563 118.973 1.590 19002 5736 1 14 . 1 1 55 55 LEU HA H 55 4.288 4.288 4.291 -0.003 19002 5737 1 14 . 1 1 55 55 LEU C C 55 177.735 177.735 177.868 -0.133 19002 5738 1 14 . 1 1 55 55 LEU CA C 55 56.070 56.070 55.088 0.982 19002 5739 1 14 . 1 1 55 55 LEU CB C 55 42.062 42.062 42.225 -0.163 19002 5740 1 14 . 1 1 55 55 LEU H H 55 7.905 7.905 7.169 0.736 19002 5741 1 14 . 1 1 56 56 LEU N N 56 121.250 121.250 117.806 3.444 19002 5742 1 14 . 1 1 56 56 LEU HA H 56 4.312 4.312 4.087 0.225 19002 5743 1 14 . 1 1 56 56 LEU C C 56 177.726 177.726 177.397 0.329 19002 5744 1 14 . 1 1 56 56 LEU CA C 56 55.979 55.979 56.798 -0.819 19002 5745 1 14 . 1 1 56 56 LEU CB C 56 42.635 42.635 42.253 0.382 19002 5746 1 14 . 1 1 56 56 LEU H H 56 7.859 7.859 7.614 0.245 19002 5747 1 14 . 1 1 57 57 GLU N N 57 120.632 120.632 117.468 3.164 19002 5748 1 14 . 1 1 57 57 GLU HA H 57 4.283 4.283 4.439 -0.156 19002 5749 1 14 . 1 1 57 57 GLU C C 57 176.553 176.553 175.365 1.188 19002 5750 1 14 . 1 1 57 57 GLU CA C 57 57.076 57.076 55.444 1.632 19002 5751 1 14 . 1 1 57 57 GLU CB C 57 30.052 30.052 30.886 -0.834 19002 5752 1 14 . 1 1 57 57 GLU H H 57 8.153 8.153 8.118 0.035 19002 5753 1 14 . 1 1 58 58 ARG N N 58 121.282 121.282 121.518 -0.236 19002 5754 1 14 . 1 1 58 58 ARG HA H 58 4.372 4.372 4.452 -0.080 19002 5755 1 14 . 1 1 58 58 ARG C C 58 176.169 176.169 175.429 0.740 19002 5756 1 14 . 1 1 58 58 ARG CA C 58 56.344 56.344 55.169 1.175 19002 5757 1 14 . 1 1 58 58 ARG CB C 58 31.102 31.102 32.238 -1.136 19002 5758 1 14 . 1 1 58 58 ARG H H 58 8.146 8.146 8.388 -0.242 19002 5759 1 14 . 1 1 59 59 ASP N N 59 121.619 121.619 126.021 -4.402 19002 5760 1 14 . 1 1 59 59 ASP HA H 59 4.639 4.639 3.607 1.032 19002 5761 1 14 . 1 1 59 59 ASP C C 59 176.553 176.553 176.535 0.018 19002 5762 1 14 . 1 1 59 59 ASP CA C 59 54.768 54.768 56.937 -2.169 19002 5763 1 14 . 1 1 59 59 ASP CB C 59 41.256 41.256 40.421 0.835 19002 5764 1 14 . 1 1 59 59 ASP H H 59 8.386 8.386 8.869 -0.483 19002 5765 1 14 . 1 1 60 60 GLU N N 60 121.214 121.214 118.848 2.366 19002 5766 1 14 . 1 1 60 60 GLU HA H 60 4.273 4.273 4.041 0.232 19002 5767 1 14 . 1 1 60 60 GLU C C 60 176.876 176.876 177.663 -0.787 19002 5768 1 14 . 1 1 60 60 GLU CA C 60 57.361 57.361 58.107 -0.746 19002 5769 1 14 . 1 1 60 60 GLU CB C 60 30.425 30.425 29.248 1.177 19002 5770 1 14 . 1 1 60 60 GLU H H 60 8.372 8.372 8.253 0.119 19002 5771 1 14 . 1 1 61 61 GLU N N 61 121.077 121.077 117.922 3.155 19002 5772 1 14 . 1 1 61 61 GLU HA H 61 4.210 4.210 4.178 0.032 19002 5773 1 14 . 1 1 61 61 GLU C C 61 176.832 176.832 175.697 1.135 19002 5774 1 14 . 1 1 61 61 GLU CA C 61 57.734 57.734 56.358 1.376 19002 5775 1 14 . 1 1 61 61 GLU CB C 61 30.425 30.425 30.364 0.061 19002 5776 1 14 . 1 1 61 61 GLU H H 61 8.384 8.384 7.504 0.880 19002 5777 1 14 . 1 1 62 62 GLU N N 62 121.155 121.155 117.149 4.006 19002 5778 1 14 . 1 1 62 62 GLU HA H 62 4.249 4.249 3.786 0.463 19002 5779 1 14 . 1 1 62 62 GLU C C 62 176.432 176.432 175.413 1.019 19002 5780 1 14 . 1 1 62 62 GLU CA C 62 57.137 57.137 57.026 0.111 19002 5781 1 14 . 1 1 62 62 GLU CB C 62 30.425 30.425 29.622 0.803 19002 5782 1 14 . 1 1 62 62 GLU H H 62 8.300 8.300 7.195 1.105 19002 5783 1 14 . 1 1 63 63 ALA N N 63 124.607 124.607 119.823 4.784 19002 5784 1 14 . 1 1 63 63 ALA HA H 63 4.293 4.293 3.826 0.467 19002 5785 1 14 . 1 1 63 63 ALA C C 63 177.483 177.483 176.494 0.989 19002 5786 1 14 . 1 1 63 63 ALA CA C 63 52.915 52.915 54.031 -1.116 19002 5787 1 14 . 1 1 63 63 ALA CB C 63 19.070 19.070 18.085 0.985 19002 5788 1 14 . 1 1 63 63 ALA H H 63 8.178 8.178 9.383 -1.205 19002 5789 1 14 . 1 1 64 64 ILE N N 64 118.941 118.941 116.493 2.448 19002 5790 1 14 . 1 1 64 64 ILE HA H 64 4.076 4.076 4.023 0.053 19002 5791 1 14 . 1 1 64 64 ILE C C 64 176.047 176.047 176.188 -0.141 19002 5792 1 14 . 1 1 64 64 ILE CA C 64 61.342 61.342 61.386 -0.044 19002 5793 1 14 . 1 1 64 64 ILE CB C 64 38.700 38.700 38.801 -0.101 19002 5794 1 14 . 1 1 64 64 ILE H H 64 7.872 7.872 8.096 -0.224 19002 5795 1 14 . 1 1 65 65 PHE N N 65 122.809 122.809 118.483 4.326 19002 5796 1 14 . 1 1 65 65 PHE HA H 65 4.615 4.615 4.535 0.080 19002 5797 1 14 . 1 1 65 65 PHE C C 65 176.270 176.270 176.840 -0.570 19002 5798 1 14 . 1 1 65 65 PHE CA C 65 57.807 57.807 55.708 2.099 19002 5799 1 14 . 1 1 65 65 PHE CB C 65 39.827 39.827 39.028 0.799 19002 5800 1 14 . 1 1 65 65 PHE H H 65 8.188 8.188 7.580 0.608 19002 5801 1 14 . 1 1 66 66 GLY N N 66 110.278 110.278 107.207 3.071 19002 5802 1 14 . 1 1 66 66 GLY C C 66 173.802 173.802 173.232 0.570 19002 5803 1 14 . 1 1 66 66 GLY CA C 66 45.391 45.391 44.714 0.677 19002 5804 1 14 . 1 1 66 66 GLY H H 66 8.213 8.213 8.819 -0.606 19002 5805 1 14 . 1 1 67 67 ASP N N 67 120.510 120.510 119.403 1.107 19002 5806 1 14 . 1 1 67 67 ASP HA H 67 4.599 4.599 4.585 0.014 19002 5807 1 14 . 1 1 67 67 ASP C C 67 176.897 176.897 175.084 1.813 19002 5808 1 14 . 1 1 67 67 ASP CA C 67 54.425 54.425 53.760 0.665 19002 5809 1 14 . 1 1 67 67 ASP CB C 67 41.265 41.265 41.967 -0.702 19002 5810 1 14 . 1 1 67 67 ASP H H 67 8.254 8.254 7.322 0.932 19002 5811 1 14 . 1 1 68 68 GLY N N 68 108.789 108.789 112.581 -3.792 19002 5812 1 14 . 1 1 68 68 GLY C C 68 174.307 174.307 173.365 0.942 19002 5813 1 14 . 1 1 68 68 GLY CA C 68 46.020 46.020 44.591 1.429 19002 5814 1 14 . 1 1 68 68 GLY H H 68 8.342 8.342 8.172 0.170 19002 5815 1 14 . 1 1 69 69 PHE N N 69 119.903 119.903 116.464 3.439 19002 5816 1 14 . 1 1 69 69 PHE HA H 69 4.599 4.599 4.948 -0.349 19002 5817 1 14 . 1 1 69 69 PHE C C 69 176.432 176.432 173.578 2.854 19002 5818 1 14 . 1 1 69 69 PHE CA C 69 58.146 58.146 54.496 3.650 19002 5819 1 14 . 1 1 69 69 PHE CB C 69 39.339 39.339 39.956 -0.617 19002 5820 1 14 . 1 1 69 69 PHE H H 69 8.178 8.178 7.016 1.162 19002 5821 1 14 . 1 1 70 70 GLY N N 70 110.089 110.089 110.129 -0.040 19002 5822 1 14 . 1 1 70 70 GLY C C 70 174.227 174.227 175.220 -0.993 19002 5823 1 14 . 1 1 70 70 GLY CA C 70 45.628 45.628 44.870 0.758 19002 5824 1 14 . 1 1 70 70 GLY H H 70 8.382 8.382 9.730 -1.348 19002 5825 1 14 . 1 1 71 71 LEU N N 71 121.600 121.600 121.981 -0.381 19002 5826 1 14 . 1 1 71 71 LEU HA H 71 4.290 4.290 4.128 0.162 19002 5827 1 14 . 1 1 71 71 LEU C C 71 177.645 177.645 177.982 -0.337 19002 5828 1 14 . 1 1 71 71 LEU CA C 71 55.500 55.500 57.382 -1.882 19002 5829 1 14 . 1 1 71 71 LEU CB C 71 42.400 42.400 42.191 0.209 19002 5830 1 14 . 1 1 71 71 LEU H H 71 8.069 8.069 8.128 -0.059 19002 5831 1 14 . 1 1 72 72 LYS N N 72 121.214 121.214 118.089 3.125 19002 5832 1 14 . 1 1 72 72 LYS HA H 72 4.283 4.283 4.497 -0.214 19002 5833 1 14 . 1 1 72 72 LYS C C 72 176.553 176.553 175.406 1.147 19002 5834 1 14 . 1 1 72 72 LYS CA C 72 56.594 56.594 55.328 1.266 19002 5835 1 14 . 1 1 72 72 LYS CB C 72 32.765 32.765 30.759 2.006 19002 5836 1 14 . 1 1 72 72 LYS H H 72 8.372 8.372 8.463 -0.091 19002 5837 1 14 . 1 1 73 73 ALA N N 73 124.187 124.187 126.279 -2.092 19002 5838 1 14 . 1 1 73 73 ALA HA H 73 4.347 4.347 4.502 -0.155 19002 5839 1 14 . 1 1 73 73 ALA C C 73 178.009 178.009 176.900 1.109 19002 5840 1 14 . 1 1 73 73 ALA CA C 73 52.597 52.597 51.522 1.075 19002 5841 1 14 . 1 1 73 73 ALA CB C 73 19.239 19.239 17.958 1.281 19002 5842 1 14 . 1 1 73 73 ALA H H 73 8.188 8.188 8.306 -0.118 19002 5843 1 14 . 1 1 74 74 THR N N 74 112.973 112.973 118.500 -5.527 19002 5844 1 14 . 1 1 74 74 THR HA H 74 4.339 4.339 4.232 0.107 19002 5845 1 14 . 1 1 74 74 THR C C 74 174.753 174.753 174.487 0.266 19002 5846 1 14 . 1 1 74 74 THR CA C 74 62.046 62.046 62.951 -0.905 19002 5847 1 14 . 1 1 74 74 THR CB C 74 69.779 69.779 69.169 0.610 19002 5848 1 14 . 1 1 74 74 THR H H 74 8.054 8.054 8.088 -0.034 19002 5849 1 14 . 1 1 75 75 ARG N N 75 123.112 123.112 127.696 -4.584 19002 5850 1 14 . 1 1 75 75 ARG HA H 75 4.371 4.371 4.294 0.077 19002 5851 1 14 . 1 1 75 75 ARG C C 75 176.411 176.411 176.549 -0.138 19002 5852 1 14 . 1 1 75 75 ARG CA C 75 56.801 56.801 55.296 1.505 19002 5853 1 14 . 1 1 75 75 ARG CB C 75 30.798 30.798 29.284 1.514 19002 5854 1 14 . 1 1 75 75 ARG H H 75 8.296 8.296 8.712 -0.416 19002 5855 1 14 . 1 1 76 76 ARG N N 76 121.977 121.977 124.832 -2.855 19002 5856 1 14 . 1 1 76 76 ARG HA H 76 4.362 4.362 4.381 -0.019 19002 5857 1 14 . 1 1 76 76 ARG C C 76 176.411 176.411 175.963 0.448 19002 5858 1 14 . 1 1 76 76 ARG CA C 76 56.689 56.689 56.165 0.524 19002 5859 1 14 . 1 1 76 76 ARG CB C 76 30.873 30.873 29.638 1.235 19002 5860 1 14 . 1 1 76 76 ARG H H 76 8.360 8.360 8.259 0.101 19002 5861 1 14 . 1 1 77 77 SER N N 77 116.981 116.981 114.308 2.673 19002 5862 1 14 . 1 1 77 77 SER HA H 77 4.483 4.483 4.226 0.257 19002 5863 1 14 . 1 1 77 77 SER C C 77 174.672 174.672 175.403 -0.731 19002 5864 1 14 . 1 1 77 77 SER CA C 77 58.497 58.497 59.608 -1.111 19002 5865 1 14 . 1 1 77 77 SER CB C 77 63.839 63.839 63.276 0.563 19002 5866 1 14 . 1 1 77 77 SER H H 77 8.325 8.325 7.977 0.348 19002 5867 1 14 . 1 1 78 78 ARG N N 78 123.324 123.324 119.472 3.852 19002 5868 1 14 . 1 1 78 78 ARG HA H 78 4.377 4.377 3.890 0.487 19002 5869 1 14 . 1 1 78 78 ARG C C 78 176.492 176.492 176.945 -0.453 19002 5870 1 14 . 1 1 78 78 ARG CA C 78 56.619 56.619 58.911 -2.292 19002 5871 1 14 . 1 1 78 78 ARG CB C 78 30.873 30.873 28.397 2.476 19002 5872 1 14 . 1 1 78 78 ARG H H 78 8.421 8.421 8.471 -0.050 19002 5873 1 14 . 1 1 79 79 LYS N N 79 122.352 122.352 119.870 2.482 19002 5874 1 14 . 1 1 79 79 LYS HA H 79 4.266 4.266 4.302 -0.036 19002 5875 1 14 . 1 1 79 79 LYS C C 79 176.472 176.472 177.615 -1.143 19002 5876 1 14 . 1 1 79 79 LYS CA C 79 57.076 57.076 57.347 -0.271 19002 5877 1 14 . 1 1 79 79 LYS CB C 79 33.186 33.186 32.930 0.256 19002 5878 1 14 . 1 1 79 79 LYS H H 79 8.300 8.300 8.257 0.043 19002 5879 1 14 . 1 1 80 80 ALA N N 80 124.816 124.816 123.430 1.386 19002 5880 1 14 . 1 1 80 80 ALA HA H 80 4.308 4.308 4.393 -0.085 19002 5881 1 14 . 1 1 80 80 ALA C C 80 177.787 177.787 176.791 0.996 19002 5882 1 14 . 1 1 80 80 ALA CA C 80 52.597 52.597 51.960 0.637 19002 5883 1 14 . 1 1 80 80 ALA CB C 80 19.180 19.180 17.079 2.101 19002 5884 1 14 . 1 1 80 80 ALA H H 80 8.269 8.269 7.805 0.464 19002 5885 1 14 . 1 1 81 81 GLU N N 81 120.243 120.243 118.116 2.127 19002 5886 1 14 . 1 1 81 81 GLU HA H 81 4.278 4.278 4.410 -0.132 19002 5887 1 14 . 1 1 81 81 GLU C C 81 176.614 176.614 177.390 -0.776 19002 5888 1 14 . 1 1 81 81 GLU CA C 81 56.893 56.893 56.556 0.337 19002 5889 1 14 . 1 1 81 81 GLU CB C 81 30.374 30.374 29.545 0.829 19002 5890 1 14 . 1 1 81 81 GLU H H 81 8.283 8.283 7.833 0.450 19002 5891 1 14 . 1 1 82 82 ARG N N 82 121.743 121.743 121.181 0.562 19002 5892 1 14 . 1 1 82 82 ARG HA H 82 4.378 4.378 4.138 0.240 19002 5893 1 14 . 1 1 82 82 ARG C C 82 175.946 175.946 177.108 -1.162 19002 5894 1 14 . 1 1 82 82 ARG CA C 82 56.047 56.047 58.146 -2.099 19002 5895 1 14 . 1 1 82 82 ARG CB C 82 30.757 30.757 30.468 0.288 19002 5896 1 14 . 1 1 82 82 ARG H H 82 8.256 8.256 8.343 -0.087 19002 5897 1 14 . 1 1 83 83 ALA N N 83 125.049 125.049 120.073 4.976 19002 5898 1 14 . 1 1 83 83 ALA HA H 83 4.313 4.313 4.025 0.288 19002 5899 1 14 . 1 1 83 83 ALA C C 83 177.322 177.322 177.270 0.052 19002 5900 1 14 . 1 1 83 83 ALA CA C 83 52.872 52.872 54.031 -1.159 19002 5901 1 14 . 1 1 83 83 ALA CB C 83 19.239 19.239 17.564 1.675 19002 5902 1 14 . 1 1 83 83 ALA H H 83 8.241 8.241 8.364 -0.123 19002 5903 1 14 . 1 1 84 84 LYS N N 84 121.088 121.088 119.401 1.687 19002 5904 1 14 . 1 1 84 84 LYS HA H 84 4.286 4.286 4.462 -0.176 19002 5905 1 14 . 1 1 84 84 LYS C C 84 175.460 175.460 174.933 0.527 19002 5906 1 14 . 1 1 84 84 LYS CA C 84 56.316 56.316 55.887 0.429 19002 5907 1 14 . 1 1 84 84 LYS CB C 84 32.923 32.923 34.616 -1.693 19002 5908 1 14 . 1 1 84 84 LYS H H 84 8.186 8.186 8.171 0.015 19002 5909 1 15 . 1 1 12 12 ARG N N 12 121.400 121.400 121.589 -0.189 19002 5910 1 15 . 1 1 12 12 ARG HA H 12 4.640 4.640 4.632 0.008 19002 5911 1 15 . 1 1 12 12 ARG C C 12 174.242 174.242 174.317 -0.075 19002 5912 1 15 . 1 1 12 12 ARG CA C 12 53.900 53.900 54.992 -1.092 19002 5913 1 15 . 1 1 12 12 ARG CB C 12 30.400 30.400 30.690 -0.290 19002 5914 1 15 . 1 1 12 12 ARG H H 12 8.140 8.140 8.283 -0.143 19002 5915 1 15 . 1 1 13 13 PRO HA H 13 4.457 4.457 4.384 0.073 19002 5916 1 15 . 1 1 13 13 PRO C C 13 177.524 177.524 177.168 0.356 19002 5917 1 15 . 1 1 13 13 PRO CA C 13 63.259 63.259 62.789 0.470 19002 5918 1 15 . 1 1 13 13 PRO CB C 13 32.067 32.067 32.104 -0.037 19002 5919 1 15 . 1 1 14 14 GLY N N 14 109.192 109.192 107.652 1.540 19002 5920 1 15 . 1 1 14 14 GLY C C 14 174.227 174.227 175.811 -1.584 19002 5921 1 15 . 1 1 14 14 GLY CA C 14 45.497 45.497 45.087 0.410 19002 5922 1 15 . 1 1 14 14 GLY H H 14 8.467 8.467 8.369 0.098 19002 5923 1 15 . 1 1 15 15 VAL N N 15 119.157 119.157 116.089 3.068 19002 5924 1 15 . 1 1 15 15 VAL HA H 15 4.081 4.081 3.989 0.092 19002 5925 1 15 . 1 1 15 15 VAL C C 15 175.986 175.986 175.397 0.589 19002 5926 1 15 . 1 1 15 15 VAL CA C 15 62.529 62.529 63.512 -0.983 19002 5927 1 15 . 1 1 15 15 VAL CB C 15 32.491 32.491 31.869 0.622 19002 5928 1 15 . 1 1 15 15 VAL H H 15 7.837 7.837 7.998 -0.161 19002 5929 1 15 . 1 1 16 16 PHE N N 16 123.110 123.110 119.943 3.167 19002 5930 1 15 . 1 1 16 16 PHE HA H 16 4.614 4.614 4.724 -0.110 19002 5931 1 15 . 1 1 16 16 PHE C C 16 175.804 175.804 175.318 0.486 19002 5932 1 15 . 1 1 16 16 PHE CA C 16 58.398 58.398 57.057 1.341 19002 5933 1 15 . 1 1 16 16 PHE CB C 16 39.475 39.475 40.591 -1.116 19002 5934 1 15 . 1 1 16 16 PHE H H 16 8.265 8.265 7.705 0.560 19002 5935 1 15 . 1 1 17 17 ARG N N 17 122.074 122.074 129.290 -7.216 19002 5936 1 15 . 1 1 17 17 ARG HA H 17 4.323 4.323 4.512 -0.189 19002 5937 1 15 . 1 1 17 17 ARG C C 17 176.452 176.452 175.956 0.496 19002 5938 1 15 . 1 1 17 17 ARG CA C 17 56.710 56.710 56.026 0.684 19002 5939 1 15 . 1 1 17 17 ARG CB C 17 30.937 30.937 28.300 2.637 19002 5940 1 15 . 1 1 17 17 ARG H H 17 8.155 8.155 8.765 -0.610 19002 5941 1 15 . 1 1 18 18 THR N N 18 114.223 114.223 110.027 4.196 19002 5942 1 15 . 1 1 18 18 THR HA H 18 4.231 4.231 4.460 -0.229 19002 5943 1 15 . 1 1 18 18 THR C C 18 174.348 174.348 174.579 -0.231 19002 5944 1 15 . 1 1 18 18 THR CA C 18 62.410 62.410 61.265 1.145 19002 5945 1 15 . 1 1 18 18 THR CB C 18 69.509 69.509 71.008 -1.499 19002 5946 1 15 . 1 1 18 18 THR H H 18 8.015 8.015 8.435 -0.420 19002 5947 1 15 . 1 1 19 19 ARG N N 19 120.957 120.957 122.791 -1.834 19002 5948 1 15 . 1 1 19 19 ARG HA H 19 4.323 4.323 3.980 0.343 19002 5949 1 15 . 1 1 19 19 ARG C C 19 175.986 175.986 176.028 -0.042 19002 5950 1 15 . 1 1 19 19 ARG CA C 19 56.093 56.093 56.559 -0.466 19002 5951 1 15 . 1 1 19 19 ARG CB C 19 30.480 30.480 29.053 1.427 19002 5952 1 15 . 1 1 19 19 ARG H H 19 8.080 8.080 8.099 -0.019 19002 5953 1 15 . 1 1 20 20 GLY N N 20 107.963 107.963 106.018 1.945 19002 5954 1 15 . 1 1 20 20 GLY C C 20 173.802 173.802 173.917 -0.115 19002 5955 1 15 . 1 1 20 20 GLY CA C 20 45.273 45.273 45.193 0.080 19002 5956 1 15 . 1 1 20 20 GLY H H 20 8.241 8.241 8.355 -0.114 19002 5957 1 15 . 1 1 21 21 LEU N N 21 121.181 121.181 121.397 -0.216 19002 5958 1 15 . 1 1 21 21 LEU HA H 21 4.770 4.770 4.385 0.385 19002 5959 1 15 . 1 1 21 21 LEU C C 21 178.414 178.414 177.336 1.078 19002 5960 1 15 . 1 1 21 21 LEU CA C 21 54.677 54.677 55.224 -0.547 19002 5961 1 15 . 1 1 21 21 LEU CB C 21 43.142 43.142 42.966 0.176 19002 5962 1 15 . 1 1 21 21 LEU H H 21 7.967 7.967 7.879 0.088 19002 5963 1 15 . 1 1 22 22 THR N N 22 114.494 114.494 116.430 -1.936 19002 5964 1 15 . 1 1 22 22 THR HA H 22 4.558 4.558 4.412 0.146 19002 5965 1 15 . 1 1 22 22 THR C C 22 175.359 175.359 175.096 0.263 19002 5966 1 15 . 1 1 22 22 THR CA C 22 61.316 61.316 60.656 0.660 19002 5967 1 15 . 1 1 22 22 THR CB C 22 71.015 71.015 70.240 0.775 19002 5968 1 15 . 1 1 22 22 THR H H 22 9.075 9.075 8.215 0.860 19002 5969 1 15 . 1 1 23 23 ASP N N 23 121.204 121.204 120.781 0.423 19002 5970 1 15 . 1 1 23 23 ASP HA H 23 4.485 4.485 4.339 0.146 19002 5971 1 15 . 1 1 23 23 ASP C C 23 178.697 178.697 178.248 0.449 19002 5972 1 15 . 1 1 23 23 ASP CA C 23 58.315 58.315 58.590 -0.275 19002 5973 1 15 . 1 1 23 23 ASP CB C 23 39.931 39.931 40.614 -0.683 19002 5974 1 15 . 1 1 23 23 ASP H H 23 8.943 8.943 8.827 0.116 19002 5975 1 15 . 1 1 24 24 GLU N N 24 119.241 119.241 118.669 0.572 19002 5976 1 15 . 1 1 24 24 GLU HA H 24 4.199 4.199 4.151 0.048 19002 5977 1 15 . 1 1 24 24 GLU C C 24 179.911 179.911 179.163 0.748 19002 5978 1 15 . 1 1 24 24 GLU CA C 24 59.973 59.973 59.373 0.600 19002 5979 1 15 . 1 1 24 24 GLU CB C 24 29.306 29.306 29.070 0.236 19002 5980 1 15 . 1 1 24 24 GLU H H 24 8.741 8.741 8.732 0.009 19002 5981 1 15 . 1 1 25 25 GLU N N 25 121.151 121.151 120.872 0.279 19002 5982 1 15 . 1 1 25 25 GLU HA H 25 4.200 4.200 4.233 -0.033 19002 5983 1 15 . 1 1 25 25 GLU C C 25 178.394 178.394 179.145 -0.751 19002 5984 1 15 . 1 1 25 25 GLU CA C 25 59.178 59.178 59.070 0.108 19002 5985 1 15 . 1 1 25 25 GLU CB C 25 30.873 30.873 29.537 1.336 19002 5986 1 15 . 1 1 25 25 GLU H H 25 7.801 7.801 7.644 0.157 19002 5987 1 15 . 1 1 26 26 TYR N N 26 120.692 120.692 120.556 0.136 19002 5988 1 15 . 1 1 26 26 TYR HA H 26 4.184 4.184 4.117 0.067 19002 5989 1 15 . 1 1 26 26 TYR C C 26 177.483 177.483 177.743 -0.260 19002 5990 1 15 . 1 1 26 26 TYR CA C 26 61.924 61.924 61.493 0.431 19002 5991 1 15 . 1 1 26 26 TYR CB C 26 37.837 37.837 38.593 -0.756 19002 5992 1 15 . 1 1 26 26 TYR H H 26 8.897 8.897 8.772 0.125 19002 5993 1 15 . 1 1 27 27 ASP N N 27 118.898 118.898 119.342 -0.444 19002 5994 1 15 . 1 1 27 27 ASP HA H 27 4.338 4.338 4.266 0.072 19002 5995 1 15 . 1 1 27 27 ASP C C 27 178.535 178.535 178.234 0.301 19002 5996 1 15 . 1 1 27 27 ASP CA C 27 57.864 57.864 57.900 -0.036 19002 5997 1 15 . 1 1 27 27 ASP CB C 27 40.797 40.797 40.783 0.014 19002 5998 1 15 . 1 1 27 27 ASP H H 27 8.135 8.135 8.201 -0.066 19002 5999 1 15 . 1 1 28 28 GLU N N 28 121.020 121.020 120.971 0.049 19002 6000 1 15 . 1 1 28 28 GLU HA H 28 4.101 4.101 4.061 0.040 19002 6001 1 15 . 1 1 28 28 GLU C C 28 178.394 178.394 178.576 -0.182 19002 6002 1 15 . 1 1 28 28 GLU CA C 28 59.450 59.450 59.135 0.315 19002 6003 1 15 . 1 1 28 28 GLU CB C 28 29.231 29.231 29.441 -0.209 19002 6004 1 15 . 1 1 28 28 GLU H H 28 7.655 7.655 8.217 -0.562 19002 6005 1 15 . 1 1 29 29 PHE N N 29 121.567 121.567 120.854 0.713 19002 6006 1 15 . 1 1 29 29 PHE HA H 29 3.765 3.765 3.979 -0.214 19002 6007 1 15 . 1 1 29 29 PHE C C 29 176.169 176.169 177.069 -0.900 19002 6008 1 15 . 1 1 29 29 PHE CA C 29 61.371 61.371 60.458 0.913 19002 6009 1 15 . 1 1 29 29 PHE CB C 29 37.588 37.588 38.375 -0.787 19002 6010 1 15 . 1 1 29 29 PHE H H 29 8.471 8.471 8.401 0.070 19002 6011 1 15 . 1 1 30 30 LYS N N 30 118.916 118.916 119.505 -0.589 19002 6012 1 15 . 1 1 30 30 LYS HA H 30 3.137 3.137 3.291 -0.154 19002 6013 1 15 . 1 1 30 30 LYS C C 30 179.445 179.445 178.559 0.886 19002 6014 1 15 . 1 1 30 30 LYS CA C 30 60.346 60.346 59.788 0.558 19002 6015 1 15 . 1 1 30 30 LYS CB C 30 31.992 31.992 31.825 0.167 19002 6016 1 15 . 1 1 30 30 LYS H H 30 8.287 8.287 8.248 0.039 19002 6017 1 15 . 1 1 31 31 LYS N N 31 120.113 120.113 119.828 0.285 19002 6018 1 15 . 1 1 31 31 LYS HA H 31 4.018 4.018 3.847 0.171 19002 6019 1 15 . 1 1 31 31 LYS C C 31 179.918 179.918 179.091 0.827 19002 6020 1 15 . 1 1 31 31 LYS CA C 31 59.700 59.700 59.563 0.137 19002 6021 1 15 . 1 1 31 31 LYS CB C 31 32.300 32.300 32.295 0.005 19002 6022 1 15 . 1 1 31 31 LYS H H 31 7.690 7.690 8.373 -0.682 19002 6023 1 15 . 1 1 32 32 ARG N N 32 121.200 121.200 117.429 3.771 19002 6024 1 15 . 1 1 32 32 ARG HA H 32 3.893 3.893 3.870 0.023 19002 6025 1 15 . 1 1 32 32 ARG C C 32 178.990 178.990 178.812 0.178 19002 6026 1 15 . 1 1 32 32 ARG CA C 32 59.452 59.452 59.283 0.169 19002 6027 1 15 . 1 1 32 32 ARG CB C 32 31.284 31.284 30.191 1.093 19002 6028 1 15 . 1 1 32 32 ARG H H 32 8.299 8.299 8.304 -0.005 19002 6029 1 15 . 1 1 33 33 ARG N N 33 120.223 120.223 120.751 -0.528 19002 6030 1 15 . 1 1 33 33 ARG HA H 33 3.698 3.698 4.005 -0.307 19002 6031 1 15 . 1 1 33 33 ARG C C 33 178.697 178.697 177.842 0.855 19002 6032 1 15 . 1 1 33 33 ARG CA C 33 59.607 59.607 59.257 0.350 19002 6033 1 15 . 1 1 33 33 ARG CB C 33 29.570 29.570 29.836 -0.266 19002 6034 1 15 . 1 1 33 33 ARG H H 33 8.704 8.704 8.382 0.322 19002 6035 1 15 . 1 1 34 34 GLU N N 34 119.860 119.860 119.304 0.556 19002 6036 1 15 . 1 1 34 34 GLU HA H 34 4.046 4.046 3.984 0.062 19002 6037 1 15 . 1 1 34 34 GLU C C 34 179.850 179.850 179.275 0.575 19002 6038 1 15 . 1 1 34 34 GLU CA C 34 59.210 59.210 59.365 -0.156 19002 6039 1 15 . 1 1 34 34 GLU CB C 34 29.380 29.380 29.280 0.100 19002 6040 1 15 . 1 1 34 34 GLU H H 34 7.941 7.941 8.619 -0.678 19002 6041 1 15 . 1 1 35 35 SER N N 35 115.261 115.261 115.459 -0.198 19002 6042 1 15 . 1 1 35 35 SER HA H 35 4.378 4.378 4.265 0.113 19002 6043 1 15 . 1 1 35 35 SER C C 35 175.339 175.339 175.551 -0.212 19002 6044 1 15 . 1 1 35 35 SER CA C 35 60.068 60.068 60.373 -0.305 19002 6045 1 15 . 1 1 35 35 SER CB C 35 63.321 63.321 63.142 0.180 19002 6046 1 15 . 1 1 35 35 SER H H 35 7.813 7.813 7.680 0.133 19002 6047 1 15 . 1 1 36 36 ARG N N 36 119.557 119.557 119.727 -0.170 19002 6048 1 15 . 1 1 36 36 ARG HA H 36 4.439 4.439 4.485 -0.046 19002 6049 1 15 . 1 1 36 36 ARG C C 36 177.524 177.524 175.826 1.698 19002 6050 1 15 . 1 1 36 36 ARG CA C 36 55.794 55.794 54.666 1.128 19002 6051 1 15 . 1 1 36 36 ARG CB C 36 30.276 30.276 30.386 -0.110 19002 6052 1 15 . 1 1 36 36 ARG H H 36 7.459 7.459 7.130 0.329 19002 6053 1 15 . 1 1 37 37 GLY N N 37 109.722 109.722 106.961 2.761 19002 6054 1 15 . 1 1 37 37 GLY C C 37 175.117 175.117 175.317 -0.200 19002 6055 1 15 . 1 1 37 37 GLY CA C 37 46.691 46.691 45.529 1.162 19002 6056 1 15 . 1 1 37 37 GLY H H 37 7.981 7.981 7.952 0.029 19002 6057 1 15 . 1 1 38 38 GLY N N 38 104.904 104.904 106.395 -1.491 19002 6058 1 15 . 1 1 38 38 GLY C C 38 174.489 174.489 174.967 -0.478 19002 6059 1 15 . 1 1 38 38 GLY CA C 38 45.012 45.012 44.947 0.066 19002 6060 1 15 . 1 1 38 38 GLY H H 38 8.271 8.271 8.600 -0.329 19002 6061 1 15 . 1 1 39 39 LYS N N 39 122.169 122.169 122.807 -0.638 19002 6062 1 15 . 1 1 39 39 LYS HA H 39 4.515 4.515 4.479 0.036 19002 6063 1 15 . 1 1 39 39 LYS C C 39 174.995 174.995 175.090 -0.095 19002 6064 1 15 . 1 1 39 39 LYS CA C 39 55.622 55.622 55.526 0.096 19002 6065 1 15 . 1 1 39 39 LYS CB C 39 30.846 30.846 31.646 -0.800 19002 6066 1 15 . 1 1 39 39 LYS H H 39 7.471 7.471 7.523 -0.052 19002 6067 1 15 . 1 1 40 40 TYR N N 40 123.749 123.749 122.677 1.072 19002 6068 1 15 . 1 1 40 40 TYR HA H 40 4.893 4.893 4.720 0.173 19002 6069 1 15 . 1 1 40 40 TYR C C 40 173.883 173.883 173.958 -0.075 19002 6070 1 15 . 1 1 40 40 TYR CA C 40 58.629 58.629 57.271 1.358 19002 6071 1 15 . 1 1 40 40 TYR CB C 40 40.871 40.871 40.681 0.189 19002 6072 1 15 . 1 1 40 40 TYR H H 40 7.687 7.687 8.006 -0.319 19002 6073 1 15 . 1 1 41 41 SER N N 41 124.561 124.561 122.982 1.579 19002 6074 1 15 . 1 1 41 41 SER HA H 41 5.061 5.061 4.692 0.369 19002 6075 1 15 . 1 1 41 41 SER C C 41 175.258 175.258 175.275 -0.017 19002 6076 1 15 . 1 1 41 41 SER CA C 41 56.913 56.913 57.039 -0.126 19002 6077 1 15 . 1 1 41 41 SER CB C 41 67.136 67.136 64.283 2.853 19002 6078 1 15 . 1 1 41 41 SER H H 41 9.246 9.246 8.655 0.591 19002 6079 1 15 . 1 1 42 42 ILE N N 42 122.298 122.298 121.513 0.785 19002 6080 1 15 . 1 1 42 42 ILE HA H 42 3.384 3.384 3.057 0.327 19002 6081 1 15 . 1 1 42 42 ILE C C 42 176.573 176.573 177.027 -0.454 19002 6082 1 15 . 1 1 42 42 ILE CA C 42 63.317 63.317 64.266 -0.949 19002 6083 1 15 . 1 1 42 42 ILE CB C 42 37.290 37.290 37.967 -0.677 19002 6084 1 15 . 1 1 42 42 ILE H H 42 8.848 8.848 8.821 0.027 19002 6085 1 15 . 1 1 43 43 ASP N N 43 118.987 118.987 120.073 -1.086 19002 6086 1 15 . 1 1 43 43 ASP HA H 43 4.317 4.317 4.360 -0.043 19002 6087 1 15 . 1 1 43 43 ASP C C 43 178.940 178.940 178.383 0.557 19002 6088 1 15 . 1 1 43 43 ASP CA C 43 57.809 57.809 58.169 -0.360 19002 6089 1 15 . 1 1 43 43 ASP CB C 43 40.722 40.722 39.337 1.385 19002 6090 1 15 . 1 1 43 43 ASP H H 43 7.673 7.673 8.664 -0.991 19002 6091 1 15 . 1 1 44 44 ASP N N 44 121.961 121.961 118.839 3.122 19002 6092 1 15 . 1 1 44 44 ASP HA H 44 4.259 4.259 4.329 -0.070 19002 6093 1 15 . 1 1 44 44 ASP C C 44 177.564 177.564 178.328 -0.764 19002 6094 1 15 . 1 1 44 44 ASP CA C 44 57.624 57.624 57.005 0.619 19002 6095 1 15 . 1 1 44 44 ASP CB C 44 41.244 41.244 40.043 1.201 19002 6096 1 15 . 1 1 44 44 ASP H H 44 7.610 7.610 8.507 -0.897 19002 6097 1 15 . 1 1 45 45 TYR N N 45 121.352 121.352 121.728 -0.376 19002 6098 1 15 . 1 1 45 45 TYR HA H 45 4.676 4.676 4.480 0.196 19002 6099 1 15 . 1 1 45 45 TYR C C 45 177.362 177.362 177.484 -0.122 19002 6100 1 15 . 1 1 45 45 TYR CA C 45 60.703 60.703 61.018 -0.315 19002 6101 1 15 . 1 1 45 45 TYR CB C 45 38.747 38.747 38.963 -0.216 19002 6102 1 15 . 1 1 45 45 TYR H H 45 7.750 7.750 7.272 0.478 19002 6103 1 15 . 1 1 46 46 LEU N N 46 118.650 118.650 119.605 -0.955 19002 6104 1 15 . 1 1 46 46 LEU HA H 46 3.697 3.697 3.724 -0.027 19002 6105 1 15 . 1 1 46 46 LEU C C 46 179.850 179.850 178.885 0.965 19002 6106 1 15 . 1 1 46 46 LEU CA C 46 57.807 57.807 57.588 0.219 19002 6107 1 15 . 1 1 46 46 LEU CB C 46 41.205 41.205 41.479 -0.274 19002 6108 1 15 . 1 1 46 46 LEU H H 46 8.544 8.544 8.813 -0.269 19002 6109 1 15 . 1 1 47 47 ALA N N 47 121.991 121.991 120.985 1.006 19002 6110 1 15 . 1 1 47 47 ALA HA H 47 4.190 4.190 3.926 0.264 19002 6111 1 15 . 1 1 47 47 ALA C C 47 180.457 180.457 179.328 1.129 19002 6112 1 15 . 1 1 47 47 ALA CA C 47 55.048 55.048 55.206 -0.158 19002 6113 1 15 . 1 1 47 47 ALA CB C 47 18.337 18.337 18.101 0.236 19002 6114 1 15 . 1 1 47 47 ALA H H 47 7.716 7.716 8.430 -0.714 19002 6115 1 15 . 1 1 48 48 ASP N N 48 120.788 120.788 118.374 2.414 19002 6116 1 15 . 1 1 48 48 ASP HA H 48 4.505 4.505 4.403 0.102 19002 6117 1 15 . 1 1 48 48 ASP C C 48 178.596 178.596 178.139 0.457 19002 6118 1 15 . 1 1 48 48 ASP CA C 48 57.361 57.361 56.542 0.819 19002 6119 1 15 . 1 1 48 48 ASP CB C 48 40.076 40.076 41.165 -1.089 19002 6120 1 15 . 1 1 48 48 ASP H H 48 8.316 8.316 7.497 0.819 19002 6121 1 15 . 1 1 49 49 ARG N N 49 120.274 120.274 120.039 0.235 19002 6122 1 15 . 1 1 49 49 ARG HA H 49 3.952 3.952 3.972 -0.020 19002 6123 1 15 . 1 1 49 49 ARG C C 49 178.454 178.454 178.405 0.049 19002 6124 1 15 . 1 1 49 49 ARG CA C 49 58.133 58.133 58.539 -0.406 19002 6125 1 15 . 1 1 49 49 ARG CB C 49 29.231 29.231 29.920 -0.689 19002 6126 1 15 . 1 1 49 49 ARG H H 49 8.459 8.459 8.094 0.365 19002 6127 1 15 . 1 1 50 50 GLU N N 50 118.834 118.834 116.336 2.498 19002 6128 1 15 . 1 1 50 50 GLU HA H 50 4.101 4.101 4.097 0.004 19002 6129 1 15 . 1 1 50 50 GLU C C 50 178.353 178.353 178.238 0.115 19002 6130 1 15 . 1 1 50 50 GLU CA C 50 58.928 58.928 58.534 0.394 19002 6131 1 15 . 1 1 50 50 GLU CB C 50 29.530 29.530 29.264 0.266 19002 6132 1 15 . 1 1 50 50 GLU H H 50 7.734 7.734 7.916 -0.182 19002 6133 1 15 . 1 1 51 51 ARG N N 51 119.239 119.239 117.554 1.685 19002 6134 1 15 . 1 1 51 51 ARG HA H 51 4.240 4.240 4.416 -0.176 19002 6135 1 15 . 1 1 51 51 ARG C C 51 178.370 178.370 178.277 0.093 19002 6136 1 15 . 1 1 51 51 ARG CA C 51 58.105 58.105 57.785 0.320 19002 6137 1 15 . 1 1 51 51 ARG CB C 51 30.649 30.649 30.677 -0.028 19002 6138 1 15 . 1 1 51 51 ARG H H 51 7.694 7.694 7.602 0.092 19002 6139 1 15 . 1 1 52 52 GLU N N 52 119.667 119.667 119.856 -0.189 19002 6140 1 15 . 1 1 52 52 GLU HA H 52 4.099 4.099 4.038 0.061 19002 6141 1 15 . 1 1 52 52 GLU C C 52 178.370 178.370 178.518 -0.148 19002 6142 1 15 . 1 1 52 52 GLU CA C 52 58.538 58.538 59.161 -0.624 19002 6143 1 15 . 1 1 52 52 GLU CB C 52 29.661 29.661 28.939 0.722 19002 6144 1 15 . 1 1 52 52 GLU H H 52 8.299 8.299 8.099 0.200 19002 6145 1 15 . 1 1 53 53 GLU N N 53 119.152 119.152 118.812 0.340 19002 6146 1 15 . 1 1 53 53 GLU HA H 53 4.210 4.210 4.001 0.209 19002 6147 1 15 . 1 1 53 53 GLU C C 53 177.740 177.740 178.717 -0.977 19002 6148 1 15 . 1 1 53 53 GLU CA C 53 58.172 58.172 59.375 -1.203 19002 6149 1 15 . 1 1 53 53 GLU CB C 53 29.530 29.530 29.265 0.265 19002 6150 1 15 . 1 1 53 53 GLU H H 53 8.098 8.098 8.004 0.094 19002 6151 1 15 . 1 1 54 54 GLU N N 54 120.097 120.097 116.712 3.385 19002 6152 1 15 . 1 1 54 54 GLU HA H 54 4.212 4.212 4.224 -0.012 19002 6153 1 15 . 1 1 54 54 GLU C C 54 177.443 177.443 177.577 -0.134 19002 6154 1 15 . 1 1 54 54 GLU CA C 54 58.081 58.081 57.469 0.612 19002 6155 1 15 . 1 1 54 54 GLU CB C 54 29.788 29.788 29.444 0.344 19002 6156 1 15 . 1 1 54 54 GLU H H 54 7.968 7.968 7.832 0.136 19002 6157 1 15 . 1 1 55 55 LEU N N 55 120.563 120.563 118.900 1.663 19002 6158 1 15 . 1 1 55 55 LEU HA H 55 4.288 4.288 4.271 0.017 19002 6159 1 15 . 1 1 55 55 LEU C C 55 177.735 177.735 179.192 -1.457 19002 6160 1 15 . 1 1 55 55 LEU CA C 55 56.070 56.070 55.958 0.112 19002 6161 1 15 . 1 1 55 55 LEU CB C 55 42.062 42.062 42.267 -0.205 19002 6162 1 15 . 1 1 55 55 LEU H H 55 7.905 7.905 7.263 0.642 19002 6163 1 15 . 1 1 56 56 LEU N N 56 121.250 121.250 118.088 3.162 19002 6164 1 15 . 1 1 56 56 LEU HA H 56 4.312 4.312 4.129 0.183 19002 6165 1 15 . 1 1 56 56 LEU C C 56 177.726 177.726 177.804 -0.078 19002 6166 1 15 . 1 1 56 56 LEU CA C 56 55.979 55.979 56.923 -0.944 19002 6167 1 15 . 1 1 56 56 LEU CB C 56 42.635 42.635 41.904 0.731 19002 6168 1 15 . 1 1 56 56 LEU H H 56 7.859 7.859 8.165 -0.306 19002 6169 1 15 . 1 1 57 57 GLU N N 57 120.632 120.632 115.721 4.911 19002 6170 1 15 . 1 1 57 57 GLU HA H 57 4.283 4.283 4.470 -0.187 19002 6171 1 15 . 1 1 57 57 GLU C C 57 176.553 176.553 176.041 0.512 19002 6172 1 15 . 1 1 57 57 GLU CA C 57 57.076 57.076 55.788 1.288 19002 6173 1 15 . 1 1 57 57 GLU CB C 57 30.052 30.052 27.927 2.124 19002 6174 1 15 . 1 1 57 57 GLU H H 57 8.153 8.153 8.330 -0.177 19002 6175 1 15 . 1 1 58 58 ARG N N 58 121.282 121.282 120.319 0.963 19002 6176 1 15 . 1 1 58 58 ARG HA H 58 4.372 4.372 4.279 0.093 19002 6177 1 15 . 1 1 58 58 ARG C C 58 176.169 176.169 176.313 -0.144 19002 6178 1 15 . 1 1 58 58 ARG CA C 58 56.344 56.344 58.344 -2.000 19002 6179 1 15 . 1 1 58 58 ARG CB C 58 31.102 31.102 31.660 -0.558 19002 6180 1 15 . 1 1 58 58 ARG H H 58 8.146 8.146 7.559 0.587 19002 6181 1 15 . 1 1 59 59 ASP N N 59 121.619 121.619 113.293 8.326 19002 6182 1 15 . 1 1 59 59 ASP HA H 59 4.639 4.639 4.797 -0.158 19002 6183 1 15 . 1 1 59 59 ASP C C 59 176.553 176.553 176.899 -0.346 19002 6184 1 15 . 1 1 59 59 ASP CA C 59 54.768 54.768 54.639 0.129 19002 6185 1 15 . 1 1 59 59 ASP CB C 59 41.256 41.256 40.723 0.533 19002 6186 1 15 . 1 1 59 59 ASP H H 59 8.386 8.386 7.937 0.449 19002 6187 1 15 . 1 1 60 60 GLU N N 60 121.214 121.214 120.116 1.098 19002 6188 1 15 . 1 1 60 60 GLU HA H 60 4.273 4.273 4.057 0.216 19002 6189 1 15 . 1 1 60 60 GLU C C 60 176.876 176.876 177.746 -0.870 19002 6190 1 15 . 1 1 60 60 GLU CA C 60 57.361 57.361 58.729 -1.368 19002 6191 1 15 . 1 1 60 60 GLU CB C 60 30.425 30.425 29.668 0.757 19002 6192 1 15 . 1 1 60 60 GLU H H 60 8.372 8.372 8.508 -0.136 19002 6193 1 15 . 1 1 61 61 GLU N N 61 121.077 121.077 118.386 2.691 19002 6194 1 15 . 1 1 61 61 GLU HA H 61 4.210 4.210 4.096 0.114 19002 6195 1 15 . 1 1 61 61 GLU C C 61 176.832 176.832 177.161 -0.329 19002 6196 1 15 . 1 1 61 61 GLU CA C 61 57.734 57.734 58.730 -0.996 19002 6197 1 15 . 1 1 61 61 GLU CB C 61 30.425 30.425 29.647 0.778 19002 6198 1 15 . 1 1 61 61 GLU H H 61 8.384 8.384 8.385 -0.001 19002 6199 1 15 . 1 1 62 62 GLU N N 62 121.155 121.155 119.016 2.139 19002 6200 1 15 . 1 1 62 62 GLU HA H 62 4.249 4.249 4.373 -0.124 19002 6201 1 15 . 1 1 62 62 GLU C C 62 176.432 176.432 174.607 1.825 19002 6202 1 15 . 1 1 62 62 GLU CA C 62 57.137 57.137 56.336 0.801 19002 6203 1 15 . 1 1 62 62 GLU CB C 62 30.425 30.425 29.866 0.559 19002 6204 1 15 . 1 1 62 62 GLU H H 62 8.300 8.300 8.163 0.137 19002 6205 1 15 . 1 1 63 63 ALA N N 63 124.607 124.607 125.435 -0.828 19002 6206 1 15 . 1 1 63 63 ALA HA H 63 4.293 4.293 4.201 0.092 19002 6207 1 15 . 1 1 63 63 ALA C C 63 177.483 177.483 176.303 1.180 19002 6208 1 15 . 1 1 63 63 ALA CA C 63 52.915 52.915 53.269 -0.354 19002 6209 1 15 . 1 1 63 63 ALA CB C 63 19.070 19.070 17.583 1.487 19002 6210 1 15 . 1 1 63 63 ALA H H 63 8.178 8.178 8.795 -0.617 19002 6211 1 15 . 1 1 64 64 ILE N N 64 118.941 118.941 117.992 0.949 19002 6212 1 15 . 1 1 64 64 ILE HA H 64 4.076 4.076 4.097 -0.021 19002 6213 1 15 . 1 1 64 64 ILE C C 64 176.047 176.047 176.619 -0.572 19002 6214 1 15 . 1 1 64 64 ILE CA C 64 61.342 61.342 62.138 -0.796 19002 6215 1 15 . 1 1 64 64 ILE CB C 64 38.700 38.700 39.363 -0.663 19002 6216 1 15 . 1 1 64 64 ILE H H 64 7.872 7.872 7.692 0.180 19002 6217 1 15 . 1 1 65 65 PHE N N 65 122.809 122.809 118.489 4.320 19002 6218 1 15 . 1 1 65 65 PHE HA H 65 4.615 4.615 4.522 0.093 19002 6219 1 15 . 1 1 65 65 PHE C C 65 176.270 176.270 176.090 0.180 19002 6220 1 15 . 1 1 65 65 PHE CA C 65 57.807 57.807 57.922 -0.115 19002 6221 1 15 . 1 1 65 65 PHE CB C 65 39.827 39.827 38.824 1.003 19002 6222 1 15 . 1 1 65 65 PHE H H 65 8.188 8.188 7.830 0.358 19002 6223 1 15 . 1 1 66 66 GLY N N 66 110.278 110.278 108.578 1.700 19002 6224 1 15 . 1 1 66 66 GLY C C 66 173.802 173.802 172.559 1.243 19002 6225 1 15 . 1 1 66 66 GLY CA C 66 45.391 45.391 44.534 0.857 19002 6226 1 15 . 1 1 66 66 GLY H H 66 8.213 8.213 7.074 1.139 19002 6227 1 15 . 1 1 67 67 ASP N N 67 120.510 120.510 120.421 0.089 19002 6228 1 15 . 1 1 67 67 ASP HA H 67 4.599 4.599 4.476 0.123 19002 6229 1 15 . 1 1 67 67 ASP C C 67 176.897 176.897 175.851 1.046 19002 6230 1 15 . 1 1 67 67 ASP CA C 67 54.425 54.425 53.538 0.887 19002 6231 1 15 . 1 1 67 67 ASP CB C 67 41.265 41.265 39.382 1.883 19002 6232 1 15 . 1 1 67 67 ASP H H 67 8.254 8.254 8.365 -0.111 19002 6233 1 15 . 1 1 68 68 GLY N N 68 108.789 108.789 108.136 0.653 19002 6234 1 15 . 1 1 68 68 GLY C C 68 174.307 174.307 172.364 1.943 19002 6235 1 15 . 1 1 68 68 GLY CA C 68 46.020 46.020 44.931 1.089 19002 6236 1 15 . 1 1 68 68 GLY H H 68 8.342 8.342 7.603 0.739 19002 6237 1 15 . 1 1 69 69 PHE N N 69 119.903 119.903 115.580 4.323 19002 6238 1 15 . 1 1 69 69 PHE HA H 69 4.599 4.599 5.317 -0.718 19002 6239 1 15 . 1 1 69 69 PHE C C 69 176.432 176.432 175.281 1.151 19002 6240 1 15 . 1 1 69 69 PHE CA C 69 58.146 58.146 56.008 2.138 19002 6241 1 15 . 1 1 69 69 PHE CB C 69 39.339 39.339 39.701 -0.362 19002 6242 1 15 . 1 1 69 69 PHE H H 69 8.178 8.178 7.860 0.318 19002 6243 1 15 . 1 1 70 70 GLY N N 70 110.089 110.089 111.497 -1.408 19002 6244 1 15 . 1 1 70 70 GLY C C 70 174.227 174.227 173.203 1.024 19002 6245 1 15 . 1 1 70 70 GLY CA C 70 45.628 45.628 45.566 0.062 19002 6246 1 15 . 1 1 70 70 GLY H H 70 8.382 8.382 8.645 -0.263 19002 6247 1 15 . 1 1 71 71 LEU N N 71 121.600 121.600 121.196 0.404 19002 6248 1 15 . 1 1 71 71 LEU HA H 71 4.290 4.290 4.416 -0.126 19002 6249 1 15 . 1 1 71 71 LEU C C 71 177.645 177.645 175.668 1.977 19002 6250 1 15 . 1 1 71 71 LEU CA C 71 55.500 55.500 54.156 1.344 19002 6251 1 15 . 1 1 71 71 LEU CB C 71 42.400 42.400 42.302 0.098 19002 6252 1 15 . 1 1 71 71 LEU H H 71 8.069 8.069 7.771 0.298 19002 6253 1 15 . 1 1 72 72 LYS N N 72 121.214 121.214 117.063 4.151 19002 6254 1 15 . 1 1 72 72 LYS HA H 72 4.283 4.283 3.970 0.313 19002 6255 1 15 . 1 1 72 72 LYS C C 72 176.553 176.553 175.869 0.684 19002 6256 1 15 . 1 1 72 72 LYS CA C 72 56.594 56.594 57.592 -0.998 19002 6257 1 15 . 1 1 72 72 LYS CB C 72 32.765 32.765 29.494 3.271 19002 6258 1 15 . 1 1 72 72 LYS H H 72 8.372 8.372 8.353 0.019 19002 6259 1 15 . 1 1 73 73 ALA N N 73 124.187 124.187 119.547 4.640 19002 6260 1 15 . 1 1 73 73 ALA HA H 73 4.347 4.347 4.356 -0.009 19002 6261 1 15 . 1 1 73 73 ALA C C 73 178.009 178.009 177.263 0.746 19002 6262 1 15 . 1 1 73 73 ALA CA C 73 52.597 52.597 53.541 -0.944 19002 6263 1 15 . 1 1 73 73 ALA CB C 73 19.239 19.239 20.172 -0.933 19002 6264 1 15 . 1 1 73 73 ALA H H 73 8.188 8.188 8.090 0.098 19002 6265 1 15 . 1 1 74 74 THR N N 74 112.973 112.973 110.566 2.407 19002 6266 1 15 . 1 1 74 74 THR HA H 74 4.339 4.339 4.401 -0.062 19002 6267 1 15 . 1 1 74 74 THR C C 74 174.753 174.753 175.252 -0.499 19002 6268 1 15 . 1 1 74 74 THR CA C 74 62.046 62.046 61.367 0.679 19002 6269 1 15 . 1 1 74 74 THR CB C 74 69.779 69.779 69.400 0.379 19002 6270 1 15 . 1 1 74 74 THR H H 74 8.054 8.054 7.877 0.177 19002 6271 1 15 . 1 1 75 75 ARG N N 75 123.112 123.112 124.617 -1.505 19002 6272 1 15 . 1 1 75 75 ARG HA H 75 4.371 4.371 4.412 -0.041 19002 6273 1 15 . 1 1 75 75 ARG C C 75 176.411 176.411 176.723 -0.312 19002 6274 1 15 . 1 1 75 75 ARG CA C 75 56.801 56.801 56.060 0.741 19002 6275 1 15 . 1 1 75 75 ARG CB C 75 30.798 30.798 29.881 0.917 19002 6276 1 15 . 1 1 75 75 ARG H H 75 8.296 8.296 8.866 -0.570 19002 6277 1 15 . 1 1 76 76 ARG N N 76 121.977 121.977 119.208 2.769 19002 6278 1 15 . 1 1 76 76 ARG HA H 76 4.362 4.362 4.482 -0.120 19002 6279 1 15 . 1 1 76 76 ARG C C 76 176.411 176.411 177.017 -0.606 19002 6280 1 15 . 1 1 76 76 ARG CA C 76 56.689 56.689 56.920 -0.231 19002 6281 1 15 . 1 1 76 76 ARG CB C 76 30.873 30.873 31.041 -0.168 19002 6282 1 15 . 1 1 76 76 ARG H H 76 8.360 8.360 8.010 0.350 19002 6283 1 15 . 1 1 77 77 SER N N 77 116.981 116.981 117.851 -0.870 19002 6284 1 15 . 1 1 77 77 SER HA H 77 4.483 4.483 4.590 -0.107 19002 6285 1 15 . 1 1 77 77 SER C C 77 174.672 174.672 173.535 1.137 19002 6286 1 15 . 1 1 77 77 SER CA C 77 58.497 58.497 57.719 0.778 19002 6287 1 15 . 1 1 77 77 SER CB C 77 63.839 63.839 61.927 1.912 19002 6288 1 15 . 1 1 77 77 SER H H 77 8.325 8.325 8.515 -0.190 19002 6289 1 15 . 1 1 78 78 ARG N N 78 123.324 123.324 121.905 1.419 19002 6290 1 15 . 1 1 78 78 ARG HA H 78 4.377 4.377 4.657 -0.280 19002 6291 1 15 . 1 1 78 78 ARG C C 78 176.492 176.492 176.093 0.399 19002 6292 1 15 . 1 1 78 78 ARG CA C 78 56.619 56.619 55.275 1.344 19002 6293 1 15 . 1 1 78 78 ARG CB C 78 30.873 30.873 31.244 -0.371 19002 6294 1 15 . 1 1 78 78 ARG H H 78 8.421 8.421 7.882 0.539 19002 6295 1 15 . 1 1 79 79 LYS N N 79 122.352 122.352 120.710 1.642 19002 6296 1 15 . 1 1 79 79 LYS HA H 79 4.266 4.266 3.944 0.322 19002 6297 1 15 . 1 1 79 79 LYS C C 79 176.472 176.472 174.855 1.617 19002 6298 1 15 . 1 1 79 79 LYS CA C 79 57.076 57.076 56.644 0.432 19002 6299 1 15 . 1 1 79 79 LYS CB C 79 33.186 33.186 30.464 2.722 19002 6300 1 15 . 1 1 79 79 LYS H H 79 8.300 8.300 8.962 -0.662 19002 6301 1 15 . 1 1 80 80 ALA N N 80 124.816 124.816 121.120 3.696 19002 6302 1 15 . 1 1 80 80 ALA HA H 80 4.308 4.308 4.615 -0.307 19002 6303 1 15 . 1 1 80 80 ALA C C 80 177.787 177.787 177.172 0.615 19002 6304 1 15 . 1 1 80 80 ALA CA C 80 52.597 52.597 51.779 0.818 19002 6305 1 15 . 1 1 80 80 ALA CB C 80 19.180 19.180 19.936 -0.756 19002 6306 1 15 . 1 1 80 80 ALA H H 80 8.269 8.269 7.798 0.471 19002 6307 1 15 . 1 1 81 81 GLU N N 81 120.243 120.243 122.645 -2.402 19002 6308 1 15 . 1 1 81 81 GLU HA H 81 4.278 4.278 4.240 0.038 19002 6309 1 15 . 1 1 81 81 GLU C C 81 176.614 176.614 177.015 -0.401 19002 6310 1 15 . 1 1 81 81 GLU CA C 81 56.893 56.893 56.744 0.149 19002 6311 1 15 . 1 1 81 81 GLU CB C 81 30.374 30.374 29.838 0.536 19002 6312 1 15 . 1 1 81 81 GLU H H 81 8.283 8.283 8.693 -0.410 19002 6313 1 15 . 1 1 82 82 ARG N N 82 121.743 121.743 121.352 0.391 19002 6314 1 15 . 1 1 82 82 ARG HA H 82 4.378 4.378 4.317 0.061 19002 6315 1 15 . 1 1 82 82 ARG C C 82 175.946 175.946 175.855 0.091 19002 6316 1 15 . 1 1 82 82 ARG CA C 82 56.047 56.047 55.877 0.170 19002 6317 1 15 . 1 1 82 82 ARG CB C 82 30.757 30.757 30.346 0.411 19002 6318 1 15 . 1 1 82 82 ARG H H 82 8.256 8.256 8.032 0.224 19002 6319 1 15 . 1 1 83 83 ALA N N 83 125.049 125.049 127.119 -2.070 19002 6320 1 15 . 1 1 83 83 ALA HA H 83 4.313 4.313 4.376 -0.063 19002 6321 1 15 . 1 1 83 83 ALA C C 83 177.322 177.322 178.355 -1.033 19002 6322 1 15 . 1 1 83 83 ALA CA C 83 52.872 52.872 53.071 -0.199 19002 6323 1 15 . 1 1 83 83 ALA CB C 83 19.239 19.239 19.009 0.230 19002 6324 1 15 . 1 1 83 83 ALA H H 83 8.241 8.241 8.658 -0.417 19002 6325 1 15 . 1 1 84 84 LYS N N 84 121.088 121.088 120.638 0.450 19002 6326 1 15 . 1 1 84 84 LYS HA H 84 4.286 4.286 4.423 -0.137 19002 6327 1 15 . 1 1 84 84 LYS C C 84 175.460 175.460 175.409 0.051 19002 6328 1 15 . 1 1 84 84 LYS CA C 84 56.316 56.316 56.348 -0.032 19002 6329 1 15 . 1 1 84 84 LYS CB C 84 32.923 32.923 30.329 2.594 19002 6330 1 15 . 1 1 84 84 LYS H H 84 8.186 8.186 8.682 -0.496 19002 6331 1 16 . 1 1 12 12 ARG N N 12 121.400 121.400 123.297 -1.897 19002 6332 1 16 . 1 1 12 12 ARG HA H 12 4.640 4.640 4.698 -0.058 19002 6333 1 16 . 1 1 12 12 ARG C C 12 174.242 174.242 175.453 -1.211 19002 6334 1 16 . 1 1 12 12 ARG CA C 12 53.900 53.900 52.304 1.596 19002 6335 1 16 . 1 1 12 12 ARG CB C 12 30.400 30.400 30.659 -0.259 19002 6336 1 16 . 1 1 12 12 ARG H H 12 8.140 8.140 8.468 -0.328 19002 6337 1 16 . 1 1 13 13 PRO HA H 13 4.457 4.457 4.507 -0.050 19002 6338 1 16 . 1 1 13 13 PRO C C 13 177.524 177.524 177.007 0.517 19002 6339 1 16 . 1 1 13 13 PRO CA C 13 63.259 63.259 62.895 0.364 19002 6340 1 16 . 1 1 13 13 PRO CB C 13 32.067 32.067 30.175 1.892 19002 6341 1 16 . 1 1 14 14 GLY N N 14 109.192 109.192 109.269 -0.077 19002 6342 1 16 . 1 1 14 14 GLY C C 14 174.227 174.227 175.306 -1.079 19002 6343 1 16 . 1 1 14 14 GLY CA C 14 45.497 45.497 45.513 -0.016 19002 6344 1 16 . 1 1 14 14 GLY H H 14 8.467 8.467 8.227 0.240 19002 6345 1 16 . 1 1 15 15 VAL N N 15 119.157 119.157 116.449 2.708 19002 6346 1 16 . 1 1 15 15 VAL HA H 15 4.081 4.081 4.027 0.054 19002 6347 1 16 . 1 1 15 15 VAL C C 15 175.986 175.986 175.770 0.216 19002 6348 1 16 . 1 1 15 15 VAL CA C 15 62.529 62.529 64.155 -1.626 19002 6349 1 16 . 1 1 15 15 VAL CB C 15 32.491 32.491 31.559 0.932 19002 6350 1 16 . 1 1 15 15 VAL H H 15 7.837 7.837 7.919 -0.082 19002 6351 1 16 . 1 1 16 16 PHE N N 16 123.110 123.110 119.186 3.924 19002 6352 1 16 . 1 1 16 16 PHE HA H 16 4.614 4.614 4.467 0.147 19002 6353 1 16 . 1 1 16 16 PHE C C 16 175.804 175.804 176.325 -0.521 19002 6354 1 16 . 1 1 16 16 PHE CA C 16 58.398 58.398 59.191 -0.793 19002 6355 1 16 . 1 1 16 16 PHE CB C 16 39.475 39.475 40.388 -0.913 19002 6356 1 16 . 1 1 16 16 PHE H H 16 8.265 8.265 7.764 0.501 19002 6357 1 16 . 1 1 17 17 ARG N N 17 122.074 122.074 115.178 6.896 19002 6358 1 16 . 1 1 17 17 ARG HA H 17 4.323 4.323 4.067 0.256 19002 6359 1 16 . 1 1 17 17 ARG C C 17 176.452 176.452 175.921 0.531 19002 6360 1 16 . 1 1 17 17 ARG CA C 17 56.710 56.710 58.065 -1.355 19002 6361 1 16 . 1 1 17 17 ARG CB C 17 30.937 30.937 28.549 2.388 19002 6362 1 16 . 1 1 17 17 ARG H H 17 8.155 8.155 8.674 -0.519 19002 6363 1 16 . 1 1 18 18 THR N N 18 114.223 114.223 112.876 1.347 19002 6364 1 16 . 1 1 18 18 THR HA H 18 4.231 4.231 4.644 -0.413 19002 6365 1 16 . 1 1 18 18 THR C C 18 174.348 174.348 174.748 -0.400 19002 6366 1 16 . 1 1 18 18 THR CA C 18 62.410 62.410 60.796 1.614 19002 6367 1 16 . 1 1 18 18 THR CB C 18 69.509 69.509 70.394 -0.885 19002 6368 1 16 . 1 1 18 18 THR H H 18 8.015 8.015 8.111 -0.096 19002 6369 1 16 . 1 1 19 19 ARG N N 19 120.957 120.957 124.938 -3.981 19002 6370 1 16 . 1 1 19 19 ARG HA H 19 4.323 4.323 4.147 0.176 19002 6371 1 16 . 1 1 19 19 ARG C C 19 175.986 175.986 176.329 -0.343 19002 6372 1 16 . 1 1 19 19 ARG CA C 19 56.093 56.093 55.333 0.760 19002 6373 1 16 . 1 1 19 19 ARG CB C 19 30.480 30.480 28.252 2.228 19002 6374 1 16 . 1 1 19 19 ARG H H 19 8.080 8.080 9.000 -0.920 19002 6375 1 16 . 1 1 20 20 GLY N N 20 107.963 107.963 108.116 -0.153 19002 6376 1 16 . 1 1 20 20 GLY C C 20 173.802 173.802 173.830 -0.028 19002 6377 1 16 . 1 1 20 20 GLY CA C 20 45.273 45.273 44.980 0.293 19002 6378 1 16 . 1 1 20 20 GLY H H 20 8.241 8.241 7.802 0.439 19002 6379 1 16 . 1 1 21 21 LEU N N 21 121.181 121.181 122.316 -1.135 19002 6380 1 16 . 1 1 21 21 LEU HA H 21 4.770 4.770 4.460 0.310 19002 6381 1 16 . 1 1 21 21 LEU C C 21 178.414 178.414 177.096 1.318 19002 6382 1 16 . 1 1 21 21 LEU CA C 21 54.677 54.677 54.815 -0.138 19002 6383 1 16 . 1 1 21 21 LEU CB C 21 43.142 43.142 42.892 0.250 19002 6384 1 16 . 1 1 21 21 LEU H H 21 7.967 7.967 7.954 0.013 19002 6385 1 16 . 1 1 22 22 THR N N 22 114.494 114.494 117.752 -3.258 19002 6386 1 16 . 1 1 22 22 THR HA H 22 4.558 4.558 4.322 0.236 19002 6387 1 16 . 1 1 22 22 THR C C 22 175.359 175.359 175.425 -0.066 19002 6388 1 16 . 1 1 22 22 THR CA C 22 61.316 61.316 61.418 -0.102 19002 6389 1 16 . 1 1 22 22 THR CB C 22 71.015 71.015 70.075 0.940 19002 6390 1 16 . 1 1 22 22 THR H H 22 9.075 9.075 8.231 0.844 19002 6391 1 16 . 1 1 23 23 ASP N N 23 121.204 121.204 121.267 -0.063 19002 6392 1 16 . 1 1 23 23 ASP HA H 23 4.485 4.485 4.365 0.120 19002 6393 1 16 . 1 1 23 23 ASP C C 23 178.697 178.697 178.547 0.150 19002 6394 1 16 . 1 1 23 23 ASP CA C 23 58.315 58.315 58.755 -0.440 19002 6395 1 16 . 1 1 23 23 ASP CB C 23 39.931 39.931 40.736 -0.805 19002 6396 1 16 . 1 1 23 23 ASP H H 23 8.943 8.943 8.798 0.145 19002 6397 1 16 . 1 1 24 24 GLU N N 24 119.241 119.241 119.152 0.089 19002 6398 1 16 . 1 1 24 24 GLU HA H 24 4.199 4.199 4.133 0.066 19002 6399 1 16 . 1 1 24 24 GLU C C 24 179.911 179.911 178.899 1.012 19002 6400 1 16 . 1 1 24 24 GLU CA C 24 59.973 59.973 59.266 0.707 19002 6401 1 16 . 1 1 24 24 GLU CB C 24 29.306 29.306 29.216 0.090 19002 6402 1 16 . 1 1 24 24 GLU H H 24 8.741 8.741 8.822 -0.081 19002 6403 1 16 . 1 1 25 25 GLU N N 25 121.151 121.151 121.191 -0.040 19002 6404 1 16 . 1 1 25 25 GLU HA H 25 4.200 4.200 4.234 -0.034 19002 6405 1 16 . 1 1 25 25 GLU C C 25 178.394 178.394 179.032 -0.638 19002 6406 1 16 . 1 1 25 25 GLU CA C 25 59.178 59.178 59.047 0.131 19002 6407 1 16 . 1 1 25 25 GLU CB C 25 30.873 30.873 29.545 1.328 19002 6408 1 16 . 1 1 25 25 GLU H H 25 7.801 7.801 7.712 0.089 19002 6409 1 16 . 1 1 26 26 TYR N N 26 120.692 120.692 120.989 -0.297 19002 6410 1 16 . 1 1 26 26 TYR HA H 26 4.184 4.184 4.160 0.024 19002 6411 1 16 . 1 1 26 26 TYR C C 26 177.483 177.483 177.738 -0.255 19002 6412 1 16 . 1 1 26 26 TYR CA C 26 61.924 61.924 61.644 0.280 19002 6413 1 16 . 1 1 26 26 TYR CB C 26 37.837 37.837 38.703 -0.866 19002 6414 1 16 . 1 1 26 26 TYR H H 26 8.897 8.897 8.825 0.072 19002 6415 1 16 . 1 1 27 27 ASP N N 27 118.898 118.898 119.367 -0.469 19002 6416 1 16 . 1 1 27 27 ASP HA H 27 4.338 4.338 4.198 0.140 19002 6417 1 16 . 1 1 27 27 ASP C C 27 178.535 178.535 178.218 0.317 19002 6418 1 16 . 1 1 27 27 ASP CA C 27 57.864 57.864 58.226 -0.362 19002 6419 1 16 . 1 1 27 27 ASP CB C 27 40.797 40.797 40.866 -0.069 19002 6420 1 16 . 1 1 27 27 ASP H H 27 8.135 8.135 8.644 -0.509 19002 6421 1 16 . 1 1 28 28 GLU N N 28 121.020 121.020 120.428 0.592 19002 6422 1 16 . 1 1 28 28 GLU HA H 28 4.101 4.101 3.987 0.114 19002 6423 1 16 . 1 1 28 28 GLU C C 28 178.394 178.394 178.500 -0.106 19002 6424 1 16 . 1 1 28 28 GLU CA C 28 59.450 59.450 59.404 0.046 19002 6425 1 16 . 1 1 28 28 GLU CB C 28 29.231 29.231 29.711 -0.480 19002 6426 1 16 . 1 1 28 28 GLU H H 28 7.655 7.655 8.028 -0.373 19002 6427 1 16 . 1 1 29 29 PHE N N 29 121.567 121.567 120.669 0.898 19002 6428 1 16 . 1 1 29 29 PHE HA H 29 3.765 3.765 3.776 -0.011 19002 6429 1 16 . 1 1 29 29 PHE C C 29 176.169 176.169 177.135 -0.966 19002 6430 1 16 . 1 1 29 29 PHE CA C 29 61.371 61.371 60.664 0.707 19002 6431 1 16 . 1 1 29 29 PHE CB C 29 37.588 37.588 38.182 -0.594 19002 6432 1 16 . 1 1 29 29 PHE H H 29 8.471 8.471 8.416 0.055 19002 6433 1 16 . 1 1 30 30 LYS N N 30 118.916 118.916 119.107 -0.191 19002 6434 1 16 . 1 1 30 30 LYS HA H 30 3.137 3.137 3.267 -0.130 19002 6435 1 16 . 1 1 30 30 LYS C C 30 179.445 179.445 178.843 0.602 19002 6436 1 16 . 1 1 30 30 LYS CA C 30 60.346 60.346 59.768 0.578 19002 6437 1 16 . 1 1 30 30 LYS CB C 30 31.992 31.992 31.953 0.038 19002 6438 1 16 . 1 1 30 30 LYS H H 30 8.287 8.287 8.100 0.187 19002 6439 1 16 . 1 1 31 31 LYS N N 31 120.113 120.113 119.507 0.606 19002 6440 1 16 . 1 1 31 31 LYS HA H 31 4.018 4.018 3.890 0.128 19002 6441 1 16 . 1 1 31 31 LYS C C 31 179.918 179.918 179.343 0.575 19002 6442 1 16 . 1 1 31 31 LYS CA C 31 59.700 59.700 59.550 0.150 19002 6443 1 16 . 1 1 31 31 LYS CB C 31 32.300 32.300 32.239 0.061 19002 6444 1 16 . 1 1 31 31 LYS H H 31 7.690 7.690 8.083 -0.393 19002 6445 1 16 . 1 1 32 32 ARG N N 32 121.200 121.200 118.797 2.403 19002 6446 1 16 . 1 1 32 32 ARG HA H 32 3.893 3.893 3.926 -0.033 19002 6447 1 16 . 1 1 32 32 ARG C C 32 178.990 178.990 178.837 0.153 19002 6448 1 16 . 1 1 32 32 ARG CA C 32 59.452 59.452 59.305 0.147 19002 6449 1 16 . 1 1 32 32 ARG CB C 32 31.284 31.284 30.201 1.083 19002 6450 1 16 . 1 1 32 32 ARG H H 32 8.299 8.299 8.521 -0.222 19002 6451 1 16 . 1 1 33 33 ARG N N 33 120.223 120.223 120.691 -0.468 19002 6452 1 16 . 1 1 33 33 ARG HA H 33 3.698 3.698 4.047 -0.349 19002 6453 1 16 . 1 1 33 33 ARG C C 33 178.697 178.697 177.775 0.922 19002 6454 1 16 . 1 1 33 33 ARG CA C 33 59.607 59.607 59.352 0.255 19002 6455 1 16 . 1 1 33 33 ARG CB C 33 29.570 29.570 29.807 -0.237 19002 6456 1 16 . 1 1 33 33 ARG H H 33 8.704 8.704 8.476 0.228 19002 6457 1 16 . 1 1 34 34 GLU N N 34 119.860 119.860 119.590 0.270 19002 6458 1 16 . 1 1 34 34 GLU HA H 34 4.046 4.046 3.996 0.050 19002 6459 1 16 . 1 1 34 34 GLU C C 34 179.850 179.850 179.332 0.518 19002 6460 1 16 . 1 1 34 34 GLU CA C 34 59.210 59.210 59.437 -0.227 19002 6461 1 16 . 1 1 34 34 GLU CB C 34 29.380 29.380 29.282 0.098 19002 6462 1 16 . 1 1 34 34 GLU H H 34 7.941 7.941 8.390 -0.449 19002 6463 1 16 . 1 1 35 35 SER N N 35 115.261 115.261 115.868 -0.607 19002 6464 1 16 . 1 1 35 35 SER HA H 35 4.378 4.378 4.279 0.099 19002 6465 1 16 . 1 1 35 35 SER C C 35 175.339 175.339 175.473 -0.134 19002 6466 1 16 . 1 1 35 35 SER CA C 35 60.068 60.068 60.640 -0.572 19002 6467 1 16 . 1 1 35 35 SER CB C 35 63.321 63.321 62.821 0.500 19002 6468 1 16 . 1 1 35 35 SER H H 35 7.813 7.813 7.732 0.081 19002 6469 1 16 . 1 1 36 36 ARG N N 36 119.557 119.557 119.516 0.041 19002 6470 1 16 . 1 1 36 36 ARG HA H 36 4.439 4.439 4.496 -0.057 19002 6471 1 16 . 1 1 36 36 ARG C C 36 177.524 177.524 175.978 1.546 19002 6472 1 16 . 1 1 36 36 ARG CA C 36 55.794 55.794 54.637 1.157 19002 6473 1 16 . 1 1 36 36 ARG CB C 36 30.276 30.276 30.331 -0.055 19002 6474 1 16 . 1 1 36 36 ARG H H 36 7.459 7.459 7.222 0.237 19002 6475 1 16 . 1 1 37 37 GLY N N 37 109.722 109.722 107.100 2.622 19002 6476 1 16 . 1 1 37 37 GLY C C 37 175.117 175.117 175.331 -0.214 19002 6477 1 16 . 1 1 37 37 GLY CA C 37 46.691 46.691 45.681 1.010 19002 6478 1 16 . 1 1 37 37 GLY H H 37 7.981 7.981 7.951 0.030 19002 6479 1 16 . 1 1 38 38 GLY N N 38 104.904 104.904 106.578 -1.674 19002 6480 1 16 . 1 1 38 38 GLY C C 38 174.489 174.489 175.285 -0.796 19002 6481 1 16 . 1 1 38 38 GLY CA C 38 45.012 45.012 44.909 0.103 19002 6482 1 16 . 1 1 38 38 GLY H H 38 8.271 8.271 8.644 -0.373 19002 6483 1 16 . 1 1 39 39 LYS N N 39 122.169 122.169 123.978 -1.809 19002 6484 1 16 . 1 1 39 39 LYS HA H 39 4.515 4.515 4.305 0.210 19002 6485 1 16 . 1 1 39 39 LYS C C 39 174.995 174.995 174.944 0.051 19002 6486 1 16 . 1 1 39 39 LYS CA C 39 55.622 55.622 56.270 -0.648 19002 6487 1 16 . 1 1 39 39 LYS CB C 39 30.846 30.846 31.526 -0.680 19002 6488 1 16 . 1 1 39 39 LYS H H 39 7.471 7.471 7.631 -0.160 19002 6489 1 16 . 1 1 40 40 TYR N N 40 123.749 123.749 121.762 1.987 19002 6490 1 16 . 1 1 40 40 TYR HA H 40 4.893 4.893 4.627 0.266 19002 6491 1 16 . 1 1 40 40 TYR C C 40 173.883 173.883 174.229 -0.346 19002 6492 1 16 . 1 1 40 40 TYR CA C 40 58.629 58.629 57.187 1.442 19002 6493 1 16 . 1 1 40 40 TYR CB C 40 40.871 40.871 40.134 0.737 19002 6494 1 16 . 1 1 40 40 TYR H H 40 7.687 7.687 8.290 -0.603 19002 6495 1 16 . 1 1 41 41 SER N N 41 124.561 124.561 120.461 4.100 19002 6496 1 16 . 1 1 41 41 SER HA H 41 5.061 5.061 4.678 0.383 19002 6497 1 16 . 1 1 41 41 SER C C 41 175.258 175.258 175.203 0.055 19002 6498 1 16 . 1 1 41 41 SER CA C 41 56.913 56.913 57.255 -0.342 19002 6499 1 16 . 1 1 41 41 SER CB C 41 67.136 67.136 64.637 2.499 19002 6500 1 16 . 1 1 41 41 SER H H 41 9.246 9.246 9.293 -0.047 19002 6501 1 16 . 1 1 42 42 ILE N N 42 122.298 122.298 121.892 0.406 19002 6502 1 16 . 1 1 42 42 ILE HA H 42 3.384 3.384 3.046 0.338 19002 6503 1 16 . 1 1 42 42 ILE C C 42 176.573 176.573 176.822 -0.249 19002 6504 1 16 . 1 1 42 42 ILE CA C 42 63.317 63.317 63.831 -0.514 19002 6505 1 16 . 1 1 42 42 ILE CB C 42 37.290 37.290 37.595 -0.305 19002 6506 1 16 . 1 1 42 42 ILE H H 42 8.848 8.848 8.801 0.047 19002 6507 1 16 . 1 1 43 43 ASP N N 43 118.987 118.987 118.913 0.074 19002 6508 1 16 . 1 1 43 43 ASP HA H 43 4.317 4.317 4.212 0.105 19002 6509 1 16 . 1 1 43 43 ASP C C 43 178.940 178.940 178.426 0.514 19002 6510 1 16 . 1 1 43 43 ASP CA C 43 57.809 57.809 58.451 -0.642 19002 6511 1 16 . 1 1 43 43 ASP CB C 43 40.722 40.722 39.944 0.778 19002 6512 1 16 . 1 1 43 43 ASP H H 43 7.673 7.673 8.602 -0.929 19002 6513 1 16 . 1 1 44 44 ASP N N 44 121.961 121.961 119.836 2.125 19002 6514 1 16 . 1 1 44 44 ASP HA H 44 4.259 4.259 4.283 -0.024 19002 6515 1 16 . 1 1 44 44 ASP C C 44 177.564 177.564 178.452 -0.888 19002 6516 1 16 . 1 1 44 44 ASP CA C 44 57.624 57.624 57.164 0.460 19002 6517 1 16 . 1 1 44 44 ASP CB C 44 41.244 41.244 40.489 0.755 19002 6518 1 16 . 1 1 44 44 ASP H H 44 7.610 7.610 7.552 0.058 19002 6519 1 16 . 1 1 45 45 TYR N N 45 121.352 121.352 121.453 -0.101 19002 6520 1 16 . 1 1 45 45 TYR HA H 45 4.676 4.676 4.454 0.222 19002 6521 1 16 . 1 1 45 45 TYR C C 45 177.362 177.362 177.405 -0.043 19002 6522 1 16 . 1 1 45 45 TYR CA C 45 60.703 60.703 60.973 -0.270 19002 6523 1 16 . 1 1 45 45 TYR CB C 45 38.747 38.747 39.115 -0.368 19002 6524 1 16 . 1 1 45 45 TYR H H 45 7.750 7.750 7.281 0.469 19002 6525 1 16 . 1 1 46 46 LEU N N 46 118.650 118.650 120.183 -1.533 19002 6526 1 16 . 1 1 46 46 LEU HA H 46 3.697 3.697 3.729 -0.032 19002 6527 1 16 . 1 1 46 46 LEU C C 46 179.850 179.850 178.672 1.178 19002 6528 1 16 . 1 1 46 46 LEU CA C 46 57.807 57.807 57.967 -0.160 19002 6529 1 16 . 1 1 46 46 LEU CB C 46 41.205 41.205 41.461 -0.256 19002 6530 1 16 . 1 1 46 46 LEU H H 46 8.544 8.544 8.774 -0.230 19002 6531 1 16 . 1 1 47 47 ALA N N 47 121.991 121.991 120.383 1.608 19002 6532 1 16 . 1 1 47 47 ALA HA H 47 4.190 4.190 3.871 0.319 19002 6533 1 16 . 1 1 47 47 ALA C C 47 180.457 180.457 179.398 1.059 19002 6534 1 16 . 1 1 47 47 ALA CA C 47 55.048 55.048 55.304 -0.256 19002 6535 1 16 . 1 1 47 47 ALA CB C 47 18.337 18.337 18.024 0.313 19002 6536 1 16 . 1 1 47 47 ALA H H 47 7.716 7.716 8.569 -0.853 19002 6537 1 16 . 1 1 48 48 ASP N N 48 120.788 120.788 118.270 2.518 19002 6538 1 16 . 1 1 48 48 ASP HA H 48 4.505 4.505 4.439 0.066 19002 6539 1 16 . 1 1 48 48 ASP C C 48 178.596 178.596 178.056 0.540 19002 6540 1 16 . 1 1 48 48 ASP CA C 48 57.361 57.361 56.501 0.860 19002 6541 1 16 . 1 1 48 48 ASP CB C 48 40.076 40.076 41.208 -1.132 19002 6542 1 16 . 1 1 48 48 ASP H H 48 8.316 8.316 7.606 0.710 19002 6543 1 16 . 1 1 49 49 ARG N N 49 120.274 120.274 121.185 -0.911 19002 6544 1 16 . 1 1 49 49 ARG HA H 49 3.952 3.952 3.953 -0.001 19002 6545 1 16 . 1 1 49 49 ARG C C 49 178.454 178.454 178.428 0.026 19002 6546 1 16 . 1 1 49 49 ARG CA C 49 58.133 58.133 58.866 -0.733 19002 6547 1 16 . 1 1 49 49 ARG CB C 49 29.231 29.231 29.892 -0.661 19002 6548 1 16 . 1 1 49 49 ARG H H 49 8.459 8.459 8.301 0.158 19002 6549 1 16 . 1 1 50 50 GLU N N 50 118.834 118.834 117.560 1.274 19002 6550 1 16 . 1 1 50 50 GLU HA H 50 4.101 4.101 4.001 0.100 19002 6551 1 16 . 1 1 50 50 GLU C C 50 178.353 178.353 179.210 -0.857 19002 6552 1 16 . 1 1 50 50 GLU CA C 50 58.928 58.928 59.413 -0.485 19002 6553 1 16 . 1 1 50 50 GLU CB C 50 29.530 29.530 29.003 0.527 19002 6554 1 16 . 1 1 50 50 GLU H H 50 7.734 7.734 8.566 -0.832 19002 6555 1 16 . 1 1 51 51 ARG N N 51 119.239 119.239 118.442 0.797 19002 6556 1 16 . 1 1 51 51 ARG HA H 51 4.240 4.240 4.242 -0.002 19002 6557 1 16 . 1 1 51 51 ARG C C 51 178.370 178.370 178.942 -0.572 19002 6558 1 16 . 1 1 51 51 ARG CA C 51 58.105 58.105 58.961 -0.856 19002 6559 1 16 . 1 1 51 51 ARG CB C 51 30.649 30.649 30.336 0.313 19002 6560 1 16 . 1 1 51 51 ARG H H 51 7.694 7.694 7.324 0.370 19002 6561 1 16 . 1 1 52 52 GLU N N 52 119.667 119.667 119.580 0.087 19002 6562 1 16 . 1 1 52 52 GLU HA H 52 4.099 4.099 3.957 0.142 19002 6563 1 16 . 1 1 52 52 GLU C C 52 178.370 178.370 179.119 -0.749 19002 6564 1 16 . 1 1 52 52 GLU CA C 52 58.538 58.538 59.320 -0.782 19002 6565 1 16 . 1 1 52 52 GLU CB C 52 29.661 29.661 29.209 0.452 19002 6566 1 16 . 1 1 52 52 GLU H H 52 8.299 8.299 8.334 -0.035 19002 6567 1 16 . 1 1 53 53 GLU N N 53 119.152 119.152 117.322 1.830 19002 6568 1 16 . 1 1 53 53 GLU HA H 53 4.210 4.210 4.029 0.181 19002 6569 1 16 . 1 1 53 53 GLU C C 53 177.740 177.740 178.748 -1.008 19002 6570 1 16 . 1 1 53 53 GLU CA C 53 58.172 58.172 58.944 -0.772 19002 6571 1 16 . 1 1 53 53 GLU CB C 53 29.530 29.530 29.573 -0.043 19002 6572 1 16 . 1 1 53 53 GLU H H 53 8.098 8.098 8.333 -0.235 19002 6573 1 16 . 1 1 54 54 GLU N N 54 120.097 120.097 117.151 2.946 19002 6574 1 16 . 1 1 54 54 GLU HA H 54 4.212 4.212 4.256 -0.044 19002 6575 1 16 . 1 1 54 54 GLU C C 54 177.443 177.443 177.939 -0.496 19002 6576 1 16 . 1 1 54 54 GLU CA C 54 58.081 58.081 57.699 0.382 19002 6577 1 16 . 1 1 54 54 GLU CB C 54 29.788 29.788 29.744 0.044 19002 6578 1 16 . 1 1 54 54 GLU H H 54 7.968 7.968 7.696 0.272 19002 6579 1 16 . 1 1 55 55 LEU N N 55 120.563 120.563 119.438 1.125 19002 6580 1 16 . 1 1 55 55 LEU HA H 55 4.288 4.288 4.334 -0.046 19002 6581 1 16 . 1 1 55 55 LEU C C 55 177.735 177.735 178.144 -0.409 19002 6582 1 16 . 1 1 55 55 LEU CA C 55 56.070 56.070 55.622 0.448 19002 6583 1 16 . 1 1 55 55 LEU CB C 55 42.062 42.062 42.127 -0.065 19002 6584 1 16 . 1 1 55 55 LEU H H 55 7.905 7.905 7.594 0.311 19002 6585 1 16 . 1 1 56 56 LEU N N 56 121.250 121.250 119.440 1.810 19002 6586 1 16 . 1 1 56 56 LEU HA H 56 4.312 4.312 4.101 0.211 19002 6587 1 16 . 1 1 56 56 LEU C C 56 177.726 177.726 177.484 0.242 19002 6588 1 16 . 1 1 56 56 LEU CA C 56 55.979 55.979 57.281 -1.302 19002 6589 1 16 . 1 1 56 56 LEU CB C 56 42.635 42.635 42.275 0.360 19002 6590 1 16 . 1 1 56 56 LEU H H 56 7.859 7.859 7.497 0.362 19002 6591 1 16 . 1 1 57 57 GLU N N 57 120.632 120.632 117.286 3.346 19002 6592 1 16 . 1 1 57 57 GLU HA H 57 4.283 4.283 4.238 0.045 19002 6593 1 16 . 1 1 57 57 GLU C C 57 176.553 176.553 176.343 0.210 19002 6594 1 16 . 1 1 57 57 GLU CA C 57 57.076 57.076 56.548 0.528 19002 6595 1 16 . 1 1 57 57 GLU CB C 57 30.052 30.052 28.265 1.787 19002 6596 1 16 . 1 1 57 57 GLU H H 57 8.153 8.153 8.268 -0.115 19002 6597 1 16 . 1 1 58 58 ARG N N 58 121.282 121.282 124.886 -3.604 19002 6598 1 16 . 1 1 58 58 ARG HA H 58 4.372 4.372 4.482 -0.110 19002 6599 1 16 . 1 1 58 58 ARG C C 58 176.169 176.169 175.893 0.276 19002 6600 1 16 . 1 1 58 58 ARG CA C 58 56.344 56.344 55.514 0.830 19002 6601 1 16 . 1 1 58 58 ARG CB C 58 31.102 31.102 29.819 1.283 19002 6602 1 16 . 1 1 58 58 ARG H H 58 8.146 8.146 8.088 0.058 19002 6603 1 16 . 1 1 59 59 ASP N N 59 121.619 121.619 119.822 1.797 19002 6604 1 16 . 1 1 59 59 ASP HA H 59 4.639 4.639 4.541 0.098 19002 6605 1 16 . 1 1 59 59 ASP C C 59 176.553 176.553 177.729 -1.176 19002 6606 1 16 . 1 1 59 59 ASP CA C 59 54.768 54.768 57.684 -2.917 19002 6607 1 16 . 1 1 59 59 ASP CB C 59 41.256 41.256 40.059 1.197 19002 6608 1 16 . 1 1 59 59 ASP H H 59 8.386 8.386 8.467 -0.081 19002 6609 1 16 . 1 1 60 60 GLU N N 60 121.214 121.214 119.643 1.571 19002 6610 1 16 . 1 1 60 60 GLU HA H 60 4.273 4.273 4.143 0.130 19002 6611 1 16 . 1 1 60 60 GLU C C 60 176.876 176.876 177.803 -0.927 19002 6612 1 16 . 1 1 60 60 GLU CA C 60 57.361 57.361 57.532 -0.171 19002 6613 1 16 . 1 1 60 60 GLU CB C 60 30.425 30.425 29.501 0.924 19002 6614 1 16 . 1 1 60 60 GLU H H 60 8.372 8.372 8.160 0.212 19002 6615 1 16 . 1 1 61 61 GLU N N 61 121.077 121.077 119.175 1.902 19002 6616 1 16 . 1 1 61 61 GLU HA H 61 4.210 4.210 4.077 0.133 19002 6617 1 16 . 1 1 61 61 GLU C C 61 176.832 176.832 177.198 -0.366 19002 6618 1 16 . 1 1 61 61 GLU CA C 61 57.734 57.734 59.164 -1.430 19002 6619 1 16 . 1 1 61 61 GLU CB C 61 30.425 30.425 29.939 0.485 19002 6620 1 16 . 1 1 61 61 GLU H H 61 8.384 8.384 7.608 0.776 19002 6621 1 16 . 1 1 62 62 GLU N N 62 121.155 121.155 116.132 5.023 19002 6622 1 16 . 1 1 62 62 GLU HA H 62 4.249 4.249 4.489 -0.240 19002 6623 1 16 . 1 1 62 62 GLU C C 62 176.432 176.432 174.850 1.582 19002 6624 1 16 . 1 1 62 62 GLU CA C 62 57.137 57.137 57.013 0.124 19002 6625 1 16 . 1 1 62 62 GLU CB C 62 30.425 30.425 31.276 -0.851 19002 6626 1 16 . 1 1 62 62 GLU H H 62 8.300 8.300 7.740 0.560 19002 6627 1 16 . 1 1 63 63 ALA N N 63 124.607 124.607 122.322 2.285 19002 6628 1 16 . 1 1 63 63 ALA HA H 63 4.293 4.293 4.372 -0.079 19002 6629 1 16 . 1 1 63 63 ALA C C 63 177.483 177.483 176.357 1.126 19002 6630 1 16 . 1 1 63 63 ALA CA C 63 52.915 52.915 51.865 1.050 19002 6631 1 16 . 1 1 63 63 ALA CB C 63 19.070 19.070 19.587 -0.517 19002 6632 1 16 . 1 1 63 63 ALA H H 63 8.178 8.178 8.338 -0.160 19002 6633 1 16 . 1 1 64 64 ILE N N 64 118.941 118.941 122.860 -3.919 19002 6634 1 16 . 1 1 64 64 ILE HA H 64 4.076 4.076 4.248 -0.172 19002 6635 1 16 . 1 1 64 64 ILE C C 64 176.047 176.047 174.723 1.324 19002 6636 1 16 . 1 1 64 64 ILE CA C 64 61.342 61.342 61.132 0.210 19002 6637 1 16 . 1 1 64 64 ILE CB C 64 38.700 38.700 36.211 2.489 19002 6638 1 16 . 1 1 64 64 ILE H H 64 7.872 7.872 7.872 0.000 19002 6639 1 16 . 1 1 65 65 PHE N N 65 122.809 122.809 119.771 3.038 19002 6640 1 16 . 1 1 65 65 PHE HA H 65 4.615 4.615 4.891 -0.276 19002 6641 1 16 . 1 1 65 65 PHE C C 65 176.270 176.270 174.409 1.861 19002 6642 1 16 . 1 1 65 65 PHE CA C 65 57.807 57.807 57.356 0.451 19002 6643 1 16 . 1 1 65 65 PHE CB C 65 39.827 39.827 38.899 0.928 19002 6644 1 16 . 1 1 65 65 PHE H H 65 8.188 8.188 7.479 0.709 19002 6645 1 16 . 1 1 66 66 GLY N N 66 110.278 110.278 110.693 -0.415 19002 6646 1 16 . 1 1 66 66 GLY C C 66 173.802 173.802 173.653 0.149 19002 6647 1 16 . 1 1 66 66 GLY CA C 66 45.391 45.391 44.836 0.555 19002 6648 1 16 . 1 1 66 66 GLY H H 66 8.213 8.213 7.725 0.488 19002 6649 1 16 . 1 1 67 67 ASP N N 67 120.510 120.510 119.150 1.360 19002 6650 1 16 . 1 1 67 67 ASP HA H 67 4.599 4.599 4.595 0.004 19002 6651 1 16 . 1 1 67 67 ASP C C 67 176.897 176.897 176.474 0.423 19002 6652 1 16 . 1 1 67 67 ASP CA C 67 54.425 54.425 54.450 -0.025 19002 6653 1 16 . 1 1 67 67 ASP CB C 67 41.265 41.265 41.115 0.150 19002 6654 1 16 . 1 1 67 67 ASP H H 67 8.254 8.254 8.450 -0.196 19002 6655 1 16 . 1 1 68 68 GLY N N 68 108.789 108.789 107.411 1.378 19002 6656 1 16 . 1 1 68 68 GLY C C 68 174.307 174.307 172.459 1.848 19002 6657 1 16 . 1 1 68 68 GLY CA C 68 46.020 46.020 45.045 0.975 19002 6658 1 16 . 1 1 68 68 GLY H H 68 8.342 8.342 7.474 0.868 19002 6659 1 16 . 1 1 69 69 PHE N N 69 119.903 119.903 114.516 5.387 19002 6660 1 16 . 1 1 69 69 PHE HA H 69 4.599 4.599 5.035 -0.436 19002 6661 1 16 . 1 1 69 69 PHE C C 69 176.432 176.432 176.277 0.155 19002 6662 1 16 . 1 1 69 69 PHE CA C 69 58.146 58.146 56.684 1.462 19002 6663 1 16 . 1 1 69 69 PHE CB C 69 39.339 39.339 39.179 0.160 19002 6664 1 16 . 1 1 69 69 PHE H H 69 8.178 8.178 7.807 0.371 19002 6665 1 16 . 1 1 70 70 GLY N N 70 110.089 110.089 109.722 0.367 19002 6666 1 16 . 1 1 70 70 GLY C C 70 174.227 174.227 173.812 0.415 19002 6667 1 16 . 1 1 70 70 GLY CA C 70 45.628 45.628 44.381 1.247 19002 6668 1 16 . 1 1 70 70 GLY H H 70 8.382 8.382 7.772 0.610 19002 6669 1 16 . 1 1 71 71 LEU N N 71 121.600 121.600 121.762 -0.162 19002 6670 1 16 . 1 1 71 71 LEU HA H 71 4.290 4.290 4.173 0.117 19002 6671 1 16 . 1 1 71 71 LEU C C 71 177.645 177.645 177.481 0.164 19002 6672 1 16 . 1 1 71 71 LEU CA C 71 55.500 55.500 56.932 -1.432 19002 6673 1 16 . 1 1 71 71 LEU CB C 71 42.400 42.400 42.248 0.152 19002 6674 1 16 . 1 1 71 71 LEU H H 71 8.069 8.069 7.643 0.426 19002 6675 1 16 . 1 1 72 72 LYS N N 72 121.214 121.214 118.805 2.409 19002 6676 1 16 . 1 1 72 72 LYS HA H 72 4.283 4.283 4.326 -0.043 19002 6677 1 16 . 1 1 72 72 LYS C C 72 176.553 176.553 176.599 -0.046 19002 6678 1 16 . 1 1 72 72 LYS CA C 72 56.594 56.594 56.919 -0.325 19002 6679 1 16 . 1 1 72 72 LYS CB C 72 32.765 32.765 33.149 -0.384 19002 6680 1 16 . 1 1 72 72 LYS H H 72 8.372 8.372 8.177 0.195 19002 6681 1 16 . 1 1 73 73 ALA N N 73 124.187 124.187 123.188 0.999 19002 6682 1 16 . 1 1 73 73 ALA HA H 73 4.347 4.347 4.752 -0.405 19002 6683 1 16 . 1 1 73 73 ALA C C 73 178.009 178.009 177.715 0.294 19002 6684 1 16 . 1 1 73 73 ALA CA C 73 52.597 52.597 51.581 1.016 19002 6685 1 16 . 1 1 73 73 ALA CB C 73 19.239 19.239 18.241 0.998 19002 6686 1 16 . 1 1 73 73 ALA H H 73 8.188 8.188 8.278 -0.090 19002 6687 1 16 . 1 1 74 74 THR N N 74 112.973 112.973 115.481 -2.508 19002 6688 1 16 . 1 1 74 74 THR HA H 74 4.339 4.339 4.048 0.291 19002 6689 1 16 . 1 1 74 74 THR C C 74 174.753 174.753 174.798 -0.045 19002 6690 1 16 . 1 1 74 74 THR CA C 74 62.046 62.046 62.684 -0.638 19002 6691 1 16 . 1 1 74 74 THR CB C 74 69.779 69.779 69.306 0.473 19002 6692 1 16 . 1 1 74 74 THR H H 74 8.054 8.054 8.251 -0.197 19002 6693 1 16 . 1 1 75 75 ARG N N 75 123.112 123.112 118.954 4.158 19002 6694 1 16 . 1 1 75 75 ARG HA H 75 4.371 4.371 4.012 0.359 19002 6695 1 16 . 1 1 75 75 ARG C C 75 176.411 176.411 175.670 0.741 19002 6696 1 16 . 1 1 75 75 ARG CA C 75 56.801 56.801 56.897 -0.096 19002 6697 1 16 . 1 1 75 75 ARG CB C 75 30.798 30.798 28.319 2.479 19002 6698 1 16 . 1 1 75 75 ARG H H 75 8.296 8.296 8.517 -0.221 19002 6699 1 16 . 1 1 76 76 ARG N N 76 121.977 121.977 118.385 3.592 19002 6700 1 16 . 1 1 76 76 ARG HA H 76 4.362 4.362 4.351 0.011 19002 6701 1 16 . 1 1 76 76 ARG C C 76 176.411 176.411 177.283 -0.872 19002 6702 1 16 . 1 1 76 76 ARG CA C 76 56.689 56.689 57.069 -0.380 19002 6703 1 16 . 1 1 76 76 ARG CB C 76 30.873 30.873 30.842 0.031 19002 6704 1 16 . 1 1 76 76 ARG H H 76 8.360 8.360 8.478 -0.118 19002 6705 1 16 . 1 1 77 77 SER N N 77 116.981 116.981 116.063 0.918 19002 6706 1 16 . 1 1 77 77 SER HA H 77 4.483 4.483 4.655 -0.172 19002 6707 1 16 . 1 1 77 77 SER C C 77 174.672 174.672 174.768 -0.096 19002 6708 1 16 . 1 1 77 77 SER CA C 77 58.497 58.497 57.110 1.387 19002 6709 1 16 . 1 1 77 77 SER CB C 77 63.839 63.839 61.803 2.037 19002 6710 1 16 . 1 1 77 77 SER H H 77 8.325 8.325 8.292 0.033 19002 6711 1 16 . 1 1 78 78 ARG N N 78 123.324 123.324 123.677 -0.353 19002 6712 1 16 . 1 1 78 78 ARG HA H 78 4.377 4.377 4.052 0.325 19002 6713 1 16 . 1 1 78 78 ARG C C 78 176.492 176.492 177.808 -1.316 19002 6714 1 16 . 1 1 78 78 ARG CA C 78 56.619 56.619 59.303 -2.684 19002 6715 1 16 . 1 1 78 78 ARG CB C 78 30.873 30.873 30.205 0.668 19002 6716 1 16 . 1 1 78 78 ARG H H 78 8.421 8.421 7.863 0.558 19002 6717 1 16 . 1 1 79 79 LYS N N 79 122.352 122.352 119.941 2.411 19002 6718 1 16 . 1 1 79 79 LYS HA H 79 4.266 4.266 4.184 0.082 19002 6719 1 16 . 1 1 79 79 LYS C C 79 176.472 176.472 177.327 -0.855 19002 6720 1 16 . 1 1 79 79 LYS CA C 79 57.076 57.076 58.510 -1.434 19002 6721 1 16 . 1 1 79 79 LYS CB C 79 33.186 33.186 32.174 1.012 19002 6722 1 16 . 1 1 79 79 LYS H H 79 8.300 8.300 8.487 -0.187 19002 6723 1 16 . 1 1 80 80 ALA N N 80 124.816 124.816 121.194 3.622 19002 6724 1 16 . 1 1 80 80 ALA HA H 80 4.308 4.308 4.176 0.132 19002 6725 1 16 . 1 1 80 80 ALA C C 80 177.787 177.787 178.814 -1.027 19002 6726 1 16 . 1 1 80 80 ALA CA C 80 52.597 52.597 54.241 -1.644 19002 6727 1 16 . 1 1 80 80 ALA CB C 80 19.180 19.180 17.988 1.192 19002 6728 1 16 . 1 1 80 80 ALA H H 80 8.269 8.269 7.703 0.566 19002 6729 1 16 . 1 1 81 81 GLU N N 81 120.243 120.243 118.858 1.385 19002 6730 1 16 . 1 1 81 81 GLU HA H 81 4.278 4.278 4.120 0.158 19002 6731 1 16 . 1 1 81 81 GLU C C 81 176.614 176.614 178.444 -1.830 19002 6732 1 16 . 1 1 81 81 GLU CA C 81 56.893 56.893 58.186 -1.293 19002 6733 1 16 . 1 1 81 81 GLU CB C 81 30.374 30.374 30.205 0.169 19002 6734 1 16 . 1 1 81 81 GLU H H 81 8.283 8.283 7.611 0.672 19002 6735 1 16 . 1 1 82 82 ARG N N 82 121.743 121.743 120.780 0.963 19002 6736 1 16 . 1 1 82 82 ARG HA H 82 4.378 4.378 4.277 0.101 19002 6737 1 16 . 1 1 82 82 ARG C C 82 175.946 175.946 175.930 0.016 19002 6738 1 16 . 1 1 82 82 ARG CA C 82 56.047 56.047 55.623 0.424 19002 6739 1 16 . 1 1 82 82 ARG CB C 82 30.757 30.757 28.890 1.867 19002 6740 1 16 . 1 1 82 82 ARG H H 82 8.256 8.256 8.024 0.232 19002 6741 1 16 . 1 1 83 83 ALA N N 83 125.049 125.049 123.536 1.513 19002 6742 1 16 . 1 1 83 83 ALA HA H 83 4.313 4.313 4.307 0.006 19002 6743 1 16 . 1 1 83 83 ALA C C 83 177.322 177.322 177.618 -0.296 19002 6744 1 16 . 1 1 83 83 ALA CA C 83 52.872 52.872 53.223 -0.351 19002 6745 1 16 . 1 1 83 83 ALA CB C 83 19.239 19.239 19.331 -0.092 19002 6746 1 16 . 1 1 83 83 ALA H H 83 8.241 8.241 8.016 0.225 19002 6747 1 16 . 1 1 84 84 LYS N N 84 121.088 121.088 119.574 1.514 19002 6748 1 16 . 1 1 84 84 LYS HA H 84 4.286 4.286 4.419 -0.133 19002 6749 1 16 . 1 1 84 84 LYS C C 84 175.460 175.460 176.561 -1.101 19002 6750 1 16 . 1 1 84 84 LYS CA C 84 56.316 56.316 56.080 0.236 19002 6751 1 16 . 1 1 84 84 LYS CB C 84 32.923 32.923 32.646 0.277 19002 6752 1 16 . 1 1 84 84 LYS H H 84 8.186 8.186 8.071 0.115 19002 6753 1 17 . 1 1 12 12 ARG N N 12 121.400 121.400 121.300 0.100 19002 6754 1 17 . 1 1 12 12 ARG HA H 12 4.640 4.640 4.230 0.410 19002 6755 1 17 . 1 1 12 12 ARG C C 12 174.242 174.242 173.860 0.382 19002 6756 1 17 . 1 1 12 12 ARG CA C 12 53.900 53.900 55.780 -1.880 19002 6757 1 17 . 1 1 12 12 ARG CB C 12 30.400 30.400 29.884 0.516 19002 6758 1 17 . 1 1 12 12 ARG H H 12 8.140 8.140 8.376 -0.236 19002 6759 1 17 . 1 1 13 13 PRO HA H 13 4.457 4.457 4.480 -0.023 19002 6760 1 17 . 1 1 13 13 PRO C C 13 177.524 177.524 176.776 0.748 19002 6761 1 17 . 1 1 13 13 PRO CA C 13 63.259 63.259 62.075 1.184 19002 6762 1 17 . 1 1 13 13 PRO CB C 13 32.067 32.067 32.561 -0.494 19002 6763 1 17 . 1 1 14 14 GLY N N 14 109.192 109.192 108.547 0.645 19002 6764 1 17 . 1 1 14 14 GLY C C 14 174.227 174.227 174.985 -0.758 19002 6765 1 17 . 1 1 14 14 GLY CA C 14 45.497 45.497 45.562 -0.065 19002 6766 1 17 . 1 1 14 14 GLY H H 14 8.467 8.467 8.438 0.029 19002 6767 1 17 . 1 1 15 15 VAL N N 15 119.157 119.157 114.175 4.982 19002 6768 1 17 . 1 1 15 15 VAL HA H 15 4.081 4.081 3.886 0.195 19002 6769 1 17 . 1 1 15 15 VAL C C 15 175.986 175.986 175.649 0.337 19002 6770 1 17 . 1 1 15 15 VAL CA C 15 62.529 62.529 64.066 -1.537 19002 6771 1 17 . 1 1 15 15 VAL CB C 15 32.491 32.491 31.620 0.871 19002 6772 1 17 . 1 1 15 15 VAL H H 15 7.837 7.837 7.640 0.197 19002 6773 1 17 . 1 1 16 16 PHE N N 16 123.110 123.110 112.725 10.385 19002 6774 1 17 . 1 1 16 16 PHE HA H 16 4.614 4.614 4.992 -0.378 19002 6775 1 17 . 1 1 16 16 PHE C C 16 175.804 175.804 174.651 1.153 19002 6776 1 17 . 1 1 16 16 PHE CA C 16 58.398 58.398 55.194 3.204 19002 6777 1 17 . 1 1 16 16 PHE CB C 16 39.475 39.475 38.216 1.259 19002 6778 1 17 . 1 1 16 16 PHE H H 16 8.265 8.265 7.284 0.981 19002 6779 1 17 . 1 1 17 17 ARG N N 17 122.074 122.074 122.842 -0.768 19002 6780 1 17 . 1 1 17 17 ARG HA H 17 4.323 4.323 4.440 -0.117 19002 6781 1 17 . 1 1 17 17 ARG C C 17 176.452 176.452 176.935 -0.483 19002 6782 1 17 . 1 1 17 17 ARG CA C 17 56.710 56.710 56.255 0.455 19002 6783 1 17 . 1 1 17 17 ARG CB C 17 30.937 30.937 29.749 1.188 19002 6784 1 17 . 1 1 17 17 ARG H H 17 8.155 8.155 7.710 0.445 19002 6785 1 17 . 1 1 18 18 THR N N 18 114.223 114.223 115.301 -1.078 19002 6786 1 17 . 1 1 18 18 THR HA H 18 4.231 4.231 4.131 0.100 19002 6787 1 17 . 1 1 18 18 THR C C 18 174.348 174.348 175.740 -1.392 19002 6788 1 17 . 1 1 18 18 THR CA C 18 62.410 62.410 63.357 -0.947 19002 6789 1 17 . 1 1 18 18 THR CB C 18 69.509 69.509 69.193 0.316 19002 6790 1 17 . 1 1 18 18 THR H H 18 8.015 8.015 8.433 -0.418 19002 6791 1 17 . 1 1 19 19 ARG N N 19 120.957 120.957 120.259 0.698 19002 6792 1 17 . 1 1 19 19 ARG HA H 19 4.323 4.323 3.942 0.381 19002 6793 1 17 . 1 1 19 19 ARG C C 19 175.986 175.986 175.512 0.474 19002 6794 1 17 . 1 1 19 19 ARG CA C 19 56.093 56.093 56.692 -0.599 19002 6795 1 17 . 1 1 19 19 ARG CB C 19 30.480 30.480 29.090 1.390 19002 6796 1 17 . 1 1 19 19 ARG H H 19 8.080 8.080 8.355 -0.275 19002 6797 1 17 . 1 1 20 20 GLY N N 20 107.963 107.963 105.631 2.332 19002 6798 1 17 . 1 1 20 20 GLY C C 20 173.802 173.802 174.550 -0.748 19002 6799 1 17 . 1 1 20 20 GLY CA C 20 45.273 45.273 44.845 0.428 19002 6800 1 17 . 1 1 20 20 GLY H H 20 8.241 8.241 7.808 0.433 19002 6801 1 17 . 1 1 21 21 LEU N N 21 121.181 121.181 122.503 -1.322 19002 6802 1 17 . 1 1 21 21 LEU HA H 21 4.770 4.770 4.276 0.494 19002 6803 1 17 . 1 1 21 21 LEU C C 21 178.414 178.414 177.020 1.394 19002 6804 1 17 . 1 1 21 21 LEU CA C 21 54.677 54.677 55.522 -0.845 19002 6805 1 17 . 1 1 21 21 LEU CB C 21 43.142 43.142 42.613 0.529 19002 6806 1 17 . 1 1 21 21 LEU H H 21 7.967 7.967 7.629 0.338 19002 6807 1 17 . 1 1 22 22 THR N N 22 114.494 114.494 116.456 -1.962 19002 6808 1 17 . 1 1 22 22 THR HA H 22 4.558 4.558 4.420 0.138 19002 6809 1 17 . 1 1 22 22 THR C C 22 175.359 175.359 175.352 0.007 19002 6810 1 17 . 1 1 22 22 THR CA C 22 61.316 61.316 60.813 0.503 19002 6811 1 17 . 1 1 22 22 THR CB C 22 71.015 71.015 70.264 0.751 19002 6812 1 17 . 1 1 22 22 THR H H 22 9.075 9.075 8.002 1.073 19002 6813 1 17 . 1 1 23 23 ASP N N 23 121.204 121.204 121.006 0.198 19002 6814 1 17 . 1 1 23 23 ASP HA H 23 4.485 4.485 4.318 0.167 19002 6815 1 17 . 1 1 23 23 ASP C C 23 178.697 178.697 178.376 0.321 19002 6816 1 17 . 1 1 23 23 ASP CA C 23 58.315 58.315 58.181 0.134 19002 6817 1 17 . 1 1 23 23 ASP CB C 23 39.931 39.931 40.778 -0.847 19002 6818 1 17 . 1 1 23 23 ASP H H 23 8.943 8.943 8.825 0.118 19002 6819 1 17 . 1 1 24 24 GLU N N 24 119.241 119.241 118.135 1.106 19002 6820 1 17 . 1 1 24 24 GLU HA H 24 4.199 4.199 4.115 0.084 19002 6821 1 17 . 1 1 24 24 GLU C C 24 179.911 179.911 179.318 0.593 19002 6822 1 17 . 1 1 24 24 GLU CA C 24 59.973 59.973 59.596 0.377 19002 6823 1 17 . 1 1 24 24 GLU CB C 24 29.306 29.306 29.140 0.166 19002 6824 1 17 . 1 1 24 24 GLU H H 24 8.741 8.741 8.751 -0.010 19002 6825 1 17 . 1 1 25 25 GLU N N 25 121.151 121.151 120.458 0.693 19002 6826 1 17 . 1 1 25 25 GLU HA H 25 4.200 4.200 4.265 -0.065 19002 6827 1 17 . 1 1 25 25 GLU C C 25 178.394 178.394 179.192 -0.798 19002 6828 1 17 . 1 1 25 25 GLU CA C 25 59.178 59.178 58.965 0.213 19002 6829 1 17 . 1 1 25 25 GLU CB C 25 30.873 30.873 29.550 1.323 19002 6830 1 17 . 1 1 25 25 GLU H H 25 7.801 7.801 7.686 0.115 19002 6831 1 17 . 1 1 26 26 TYR N N 26 120.692 120.692 120.764 -0.072 19002 6832 1 17 . 1 1 26 26 TYR HA H 26 4.184 4.184 4.104 0.080 19002 6833 1 17 . 1 1 26 26 TYR C C 26 177.483 177.483 177.737 -0.254 19002 6834 1 17 . 1 1 26 26 TYR CA C 26 61.924 61.924 61.369 0.555 19002 6835 1 17 . 1 1 26 26 TYR CB C 26 37.837 37.837 38.589 -0.752 19002 6836 1 17 . 1 1 26 26 TYR H H 26 8.897 8.897 8.830 0.067 19002 6837 1 17 . 1 1 27 27 ASP N N 27 118.898 118.898 119.606 -0.708 19002 6838 1 17 . 1 1 27 27 ASP HA H 27 4.338 4.338 4.270 0.068 19002 6839 1 17 . 1 1 27 27 ASP C C 27 178.535 178.535 177.965 0.570 19002 6840 1 17 . 1 1 27 27 ASP CA C 27 57.864 57.864 57.620 0.244 19002 6841 1 17 . 1 1 27 27 ASP CB C 27 40.797 40.797 40.696 0.101 19002 6842 1 17 . 1 1 27 27 ASP H H 27 8.135 8.135 8.332 -0.197 19002 6843 1 17 . 1 1 28 28 GLU N N 28 121.020 121.020 120.629 0.391 19002 6844 1 17 . 1 1 28 28 GLU HA H 28 4.101 4.101 4.077 0.024 19002 6845 1 17 . 1 1 28 28 GLU C C 28 178.394 178.394 178.662 -0.268 19002 6846 1 17 . 1 1 28 28 GLU CA C 28 59.450 59.450 59.066 0.384 19002 6847 1 17 . 1 1 28 28 GLU CB C 28 29.231 29.231 29.490 -0.259 19002 6848 1 17 . 1 1 28 28 GLU H H 28 7.655 7.655 8.071 -0.416 19002 6849 1 17 . 1 1 29 29 PHE N N 29 121.567 121.567 120.694 0.873 19002 6850 1 17 . 1 1 29 29 PHE HA H 29 3.765 3.765 3.966 -0.201 19002 6851 1 17 . 1 1 29 29 PHE C C 29 176.169 176.169 177.129 -0.960 19002 6852 1 17 . 1 1 29 29 PHE CA C 29 61.371 61.371 60.716 0.655 19002 6853 1 17 . 1 1 29 29 PHE CB C 29 37.588 37.588 38.404 -0.816 19002 6854 1 17 . 1 1 29 29 PHE H H 29 8.471 8.471 8.423 0.048 19002 6855 1 17 . 1 1 30 30 LYS N N 30 118.916 118.916 119.369 -0.453 19002 6856 1 17 . 1 1 30 30 LYS HA H 30 3.137 3.137 3.356 -0.219 19002 6857 1 17 . 1 1 30 30 LYS C C 30 179.445 179.445 178.779 0.666 19002 6858 1 17 . 1 1 30 30 LYS CA C 30 60.346 60.346 59.953 0.394 19002 6859 1 17 . 1 1 30 30 LYS CB C 30 31.992 31.992 31.974 0.019 19002 6860 1 17 . 1 1 30 30 LYS H H 30 8.287 8.287 8.084 0.203 19002 6861 1 17 . 1 1 31 31 LYS N N 31 120.113 120.113 118.794 1.319 19002 6862 1 17 . 1 1 31 31 LYS HA H 31 4.018 4.018 3.865 0.153 19002 6863 1 17 . 1 1 31 31 LYS C C 31 179.918 179.918 179.154 0.764 19002 6864 1 17 . 1 1 31 31 LYS CA C 31 59.700 59.700 59.879 -0.179 19002 6865 1 17 . 1 1 31 31 LYS CB C 31 32.300 32.300 32.192 0.108 19002 6866 1 17 . 1 1 31 31 LYS H H 31 7.690 7.690 8.193 -0.503 19002 6867 1 17 . 1 1 32 32 ARG N N 32 121.200 121.200 118.174 3.026 19002 6868 1 17 . 1 1 32 32 ARG HA H 32 3.893 3.893 3.834 0.059 19002 6869 1 17 . 1 1 32 32 ARG C C 32 178.990 178.990 178.308 0.682 19002 6870 1 17 . 1 1 32 32 ARG CA C 32 59.452 59.452 59.294 0.159 19002 6871 1 17 . 1 1 32 32 ARG CB C 32 31.284 31.284 30.137 1.147 19002 6872 1 17 . 1 1 32 32 ARG H H 32 8.299 8.299 8.172 0.127 19002 6873 1 17 . 1 1 33 33 ARG N N 33 120.223 120.223 120.164 0.059 19002 6874 1 17 . 1 1 33 33 ARG HA H 33 3.698 3.698 3.967 -0.269 19002 6875 1 17 . 1 1 33 33 ARG C C 33 178.697 178.697 178.053 0.644 19002 6876 1 17 . 1 1 33 33 ARG CA C 33 59.607 59.607 59.170 0.437 19002 6877 1 17 . 1 1 33 33 ARG CB C 33 29.570 29.570 29.840 -0.270 19002 6878 1 17 . 1 1 33 33 ARG H H 33 8.704 8.704 8.152 0.552 19002 6879 1 17 . 1 1 34 34 GLU N N 34 119.860 119.860 119.333 0.527 19002 6880 1 17 . 1 1 34 34 GLU HA H 34 4.046 4.046 3.988 0.058 19002 6881 1 17 . 1 1 34 34 GLU C C 34 179.850 179.850 179.325 0.525 19002 6882 1 17 . 1 1 34 34 GLU CA C 34 59.210 59.210 59.199 0.011 19002 6883 1 17 . 1 1 34 34 GLU CB C 34 29.380 29.380 28.947 0.433 19002 6884 1 17 . 1 1 34 34 GLU H H 34 7.941 7.941 8.439 -0.498 19002 6885 1 17 . 1 1 35 35 SER N N 35 115.261 115.261 115.913 -0.652 19002 6886 1 17 . 1 1 35 35 SER HA H 35 4.378 4.378 4.185 0.193 19002 6887 1 17 . 1 1 35 35 SER C C 35 175.339 175.339 175.651 -0.312 19002 6888 1 17 . 1 1 35 35 SER CA C 35 60.068 60.068 60.800 -0.732 19002 6889 1 17 . 1 1 35 35 SER CB C 35 63.321 63.321 63.098 0.223 19002 6890 1 17 . 1 1 35 35 SER H H 35 7.813 7.813 7.637 0.176 19002 6891 1 17 . 1 1 36 36 ARG N N 36 119.557 119.557 119.266 0.291 19002 6892 1 17 . 1 1 36 36 ARG HA H 36 4.439 4.439 4.389 0.050 19002 6893 1 17 . 1 1 36 36 ARG C C 36 177.524 177.524 175.884 1.640 19002 6894 1 17 . 1 1 36 36 ARG CA C 36 55.794 55.794 55.013 0.781 19002 6895 1 17 . 1 1 36 36 ARG CB C 36 30.276 30.276 29.954 0.322 19002 6896 1 17 . 1 1 36 36 ARG H H 36 7.459 7.459 7.178 0.281 19002 6897 1 17 . 1 1 37 37 GLY N N 37 109.722 109.722 106.403 3.319 19002 6898 1 17 . 1 1 37 37 GLY C C 37 175.117 175.117 174.939 0.178 19002 6899 1 17 . 1 1 37 37 GLY CA C 37 46.691 46.691 45.521 1.170 19002 6900 1 17 . 1 1 37 37 GLY H H 37 7.981 7.981 8.210 -0.229 19002 6901 1 17 . 1 1 38 38 GLY N N 38 104.904 104.904 106.190 -1.286 19002 6902 1 17 . 1 1 38 38 GLY C C 38 174.489 174.489 175.182 -0.693 19002 6903 1 17 . 1 1 38 38 GLY CA C 38 45.012 45.012 44.977 0.035 19002 6904 1 17 . 1 1 38 38 GLY H H 38 8.271 8.271 8.622 -0.351 19002 6905 1 17 . 1 1 39 39 LYS N N 39 122.169 122.169 123.920 -1.751 19002 6906 1 17 . 1 1 39 39 LYS HA H 39 4.515 4.515 4.384 0.131 19002 6907 1 17 . 1 1 39 39 LYS C C 39 174.995 174.995 175.137 -0.142 19002 6908 1 17 . 1 1 39 39 LYS CA C 39 55.622 55.622 56.129 -0.507 19002 6909 1 17 . 1 1 39 39 LYS CB C 39 30.846 30.846 31.523 -0.677 19002 6910 1 17 . 1 1 39 39 LYS H H 39 7.471 7.471 7.619 -0.148 19002 6911 1 17 . 1 1 40 40 TYR N N 40 123.749 123.749 122.946 0.803 19002 6912 1 17 . 1 1 40 40 TYR HA H 40 4.893 4.893 4.639 0.254 19002 6913 1 17 . 1 1 40 40 TYR C C 40 173.883 173.883 173.977 -0.094 19002 6914 1 17 . 1 1 40 40 TYR CA C 40 58.629 58.629 57.331 1.298 19002 6915 1 17 . 1 1 40 40 TYR CB C 40 40.871 40.871 40.530 0.341 19002 6916 1 17 . 1 1 40 40 TYR H H 40 7.687 7.687 8.083 -0.396 19002 6917 1 17 . 1 1 41 41 SER N N 41 124.561 124.561 120.803 3.758 19002 6918 1 17 . 1 1 41 41 SER HA H 41 5.061 5.061 4.651 0.410 19002 6919 1 17 . 1 1 41 41 SER C C 41 175.258 175.258 174.508 0.750 19002 6920 1 17 . 1 1 41 41 SER CA C 41 56.913 56.913 57.137 -0.224 19002 6921 1 17 . 1 1 41 41 SER CB C 41 67.136 67.136 64.799 2.337 19002 6922 1 17 . 1 1 41 41 SER H H 41 9.246 9.246 7.941 1.305 19002 6923 1 17 . 1 1 42 42 ILE N N 42 122.298 122.298 120.921 1.377 19002 6924 1 17 . 1 1 42 42 ILE HA H 42 3.384 3.384 3.441 -0.057 19002 6925 1 17 . 1 1 42 42 ILE C C 42 176.573 176.573 176.357 0.216 19002 6926 1 17 . 1 1 42 42 ILE CA C 42 63.317 63.317 63.156 0.161 19002 6927 1 17 . 1 1 42 42 ILE CB C 42 37.290 37.290 38.086 -0.796 19002 6928 1 17 . 1 1 42 42 ILE H H 42 8.848 8.848 8.218 0.630 19002 6929 1 17 . 1 1 43 43 ASP N N 43 118.987 118.987 120.281 -1.294 19002 6930 1 17 . 1 1 43 43 ASP HA H 43 4.317 4.317 4.242 0.075 19002 6931 1 17 . 1 1 43 43 ASP C C 43 178.940 178.940 177.904 1.036 19002 6932 1 17 . 1 1 43 43 ASP CA C 43 57.809 57.809 57.904 -0.095 19002 6933 1 17 . 1 1 43 43 ASP CB C 43 40.722 40.722 40.066 0.657 19002 6934 1 17 . 1 1 43 43 ASP H H 43 7.673 7.673 7.790 -0.117 19002 6935 1 17 . 1 1 44 44 ASP N N 44 121.961 121.961 120.429 1.532 19002 6936 1 17 . 1 1 44 44 ASP HA H 44 4.259 4.259 4.351 -0.092 19002 6937 1 17 . 1 1 44 44 ASP C C 44 177.564 177.564 177.939 -0.375 19002 6938 1 17 . 1 1 44 44 ASP CA C 44 57.624 57.624 56.996 0.628 19002 6939 1 17 . 1 1 44 44 ASP CB C 44 41.244 41.244 40.800 0.444 19002 6940 1 17 . 1 1 44 44 ASP H H 44 7.610 7.610 8.030 -0.420 19002 6941 1 17 . 1 1 45 45 TYR N N 45 121.352 121.352 121.807 -0.455 19002 6942 1 17 . 1 1 45 45 TYR HA H 45 4.676 4.676 4.528 0.148 19002 6943 1 17 . 1 1 45 45 TYR C C 45 177.362 177.362 177.939 -0.577 19002 6944 1 17 . 1 1 45 45 TYR CA C 45 60.703 60.703 61.250 -0.547 19002 6945 1 17 . 1 1 45 45 TYR CB C 45 38.747 38.747 38.797 -0.050 19002 6946 1 17 . 1 1 45 45 TYR H H 45 7.750 7.750 7.224 0.526 19002 6947 1 17 . 1 1 46 46 LEU N N 46 118.650 118.650 118.782 -0.132 19002 6948 1 17 . 1 1 46 46 LEU HA H 46 3.697 3.697 3.781 -0.084 19002 6949 1 17 . 1 1 46 46 LEU C C 46 179.850 179.850 178.919 0.931 19002 6950 1 17 . 1 1 46 46 LEU CA C 46 57.807 57.807 57.435 0.371 19002 6951 1 17 . 1 1 46 46 LEU CB C 46 41.205 41.205 41.415 -0.210 19002 6952 1 17 . 1 1 46 46 LEU H H 46 8.544 8.544 8.874 -0.330 19002 6953 1 17 . 1 1 47 47 ALA N N 47 121.991 121.991 121.659 0.332 19002 6954 1 17 . 1 1 47 47 ALA HA H 47 4.190 4.190 3.973 0.217 19002 6955 1 17 . 1 1 47 47 ALA C C 47 180.457 180.457 179.412 1.045 19002 6956 1 17 . 1 1 47 47 ALA CA C 47 55.048 55.048 55.156 -0.108 19002 6957 1 17 . 1 1 47 47 ALA CB C 47 18.337 18.337 18.120 0.217 19002 6958 1 17 . 1 1 47 47 ALA H H 47 7.716 7.716 8.331 -0.615 19002 6959 1 17 . 1 1 48 48 ASP N N 48 120.788 120.788 118.661 2.127 19002 6960 1 17 . 1 1 48 48 ASP HA H 48 4.505 4.505 4.414 0.091 19002 6961 1 17 . 1 1 48 48 ASP C C 48 178.596 178.596 178.196 0.400 19002 6962 1 17 . 1 1 48 48 ASP CA C 48 57.361 57.361 56.813 0.548 19002 6963 1 17 . 1 1 48 48 ASP CB C 48 40.076 40.076 41.170 -1.095 19002 6964 1 17 . 1 1 48 48 ASP H H 48 8.316 8.316 7.637 0.679 19002 6965 1 17 . 1 1 49 49 ARG N N 49 120.274 120.274 120.446 -0.172 19002 6966 1 17 . 1 1 49 49 ARG HA H 49 3.952 3.952 4.022 -0.070 19002 6967 1 17 . 1 1 49 49 ARG C C 49 178.454 178.454 178.388 0.066 19002 6968 1 17 . 1 1 49 49 ARG CA C 49 58.133 58.133 58.778 -0.645 19002 6969 1 17 . 1 1 49 49 ARG CB C 49 29.231 29.231 29.937 -0.706 19002 6970 1 17 . 1 1 49 49 ARG H H 49 8.459 8.459 8.274 0.185 19002 6971 1 17 . 1 1 50 50 GLU N N 50 118.834 118.834 118.164 0.670 19002 6972 1 17 . 1 1 50 50 GLU HA H 50 4.101 4.101 4.044 0.057 19002 6973 1 17 . 1 1 50 50 GLU C C 50 178.353 178.353 178.777 -0.424 19002 6974 1 17 . 1 1 50 50 GLU CA C 50 58.928 58.928 59.181 -0.253 19002 6975 1 17 . 1 1 50 50 GLU CB C 50 29.530 29.530 28.983 0.547 19002 6976 1 17 . 1 1 50 50 GLU H H 50 7.734 7.734 7.851 -0.117 19002 6977 1 17 . 1 1 51 51 ARG N N 51 119.239 119.239 117.746 1.493 19002 6978 1 17 . 1 1 51 51 ARG HA H 51 4.240 4.240 4.137 0.103 19002 6979 1 17 . 1 1 51 51 ARG C C 51 178.370 178.370 178.819 -0.449 19002 6980 1 17 . 1 1 51 51 ARG CA C 51 58.105 58.105 58.871 -0.766 19002 6981 1 17 . 1 1 51 51 ARG CB C 51 30.649 30.649 30.258 0.391 19002 6982 1 17 . 1 1 51 51 ARG H H 51 7.694 7.694 7.266 0.428 19002 6983 1 17 . 1 1 52 52 GLU N N 52 119.667 119.667 119.999 -0.332 19002 6984 1 17 . 1 1 52 52 GLU HA H 52 4.099 4.099 3.971 0.128 19002 6985 1 17 . 1 1 52 52 GLU C C 52 178.370 178.370 178.717 -0.347 19002 6986 1 17 . 1 1 52 52 GLU CA C 52 58.538 58.538 59.302 -0.764 19002 6987 1 17 . 1 1 52 52 GLU CB C 52 29.661 29.661 29.101 0.560 19002 6988 1 17 . 1 1 52 52 GLU H H 52 8.299 8.299 8.300 -0.001 19002 6989 1 17 . 1 1 53 53 GLU N N 53 119.152 119.152 118.324 0.828 19002 6990 1 17 . 1 1 53 53 GLU HA H 53 4.210 4.210 4.067 0.143 19002 6991 1 17 . 1 1 53 53 GLU C C 53 177.740 177.740 178.707 -0.967 19002 6992 1 17 . 1 1 53 53 GLU CA C 53 58.172 58.172 59.036 -0.864 19002 6993 1 17 . 1 1 53 53 GLU CB C 53 29.530 29.530 29.085 0.445 19002 6994 1 17 . 1 1 53 53 GLU H H 53 8.098 8.098 7.873 0.225 19002 6995 1 17 . 1 1 54 54 GLU N N 54 120.097 120.097 116.017 4.080 19002 6996 1 17 . 1 1 54 54 GLU HA H 54 4.212 4.212 4.306 -0.094 19002 6997 1 17 . 1 1 54 54 GLU C C 54 177.443 177.443 177.614 -0.171 19002 6998 1 17 . 1 1 54 54 GLU CA C 54 58.081 58.081 57.814 0.267 19002 6999 1 17 . 1 1 54 54 GLU CB C 54 29.788 29.788 29.875 -0.087 19002 7000 1 17 . 1 1 54 54 GLU H H 54 7.968 7.968 7.902 0.066 19002 7001 1 17 . 1 1 55 55 LEU N N 55 120.563 120.563 119.177 1.386 19002 7002 1 17 . 1 1 55 55 LEU HA H 55 4.288 4.288 4.404 -0.116 19002 7003 1 17 . 1 1 55 55 LEU C C 55 177.735 177.735 177.693 0.042 19002 7004 1 17 . 1 1 55 55 LEU CA C 55 56.070 56.070 55.115 0.955 19002 7005 1 17 . 1 1 55 55 LEU CB C 55 42.062 42.062 42.349 -0.287 19002 7006 1 17 . 1 1 55 55 LEU H H 55 7.905 7.905 7.167 0.738 19002 7007 1 17 . 1 1 56 56 LEU N N 56 121.250 121.250 119.813 1.437 19002 7008 1 17 . 1 1 56 56 LEU HA H 56 4.312 4.312 4.132 0.180 19002 7009 1 17 . 1 1 56 56 LEU C C 56 177.726 177.726 176.946 0.780 19002 7010 1 17 . 1 1 56 56 LEU CA C 56 55.979 55.979 55.292 0.687 19002 7011 1 17 . 1 1 56 56 LEU CB C 56 42.635 42.635 41.997 0.638 19002 7012 1 17 . 1 1 56 56 LEU H H 56 7.859 7.859 7.711 0.148 19002 7013 1 17 . 1 1 57 57 GLU N N 57 120.632 120.632 116.898 3.734 19002 7014 1 17 . 1 1 57 57 GLU HA H 57 4.283 4.283 4.078 0.205 19002 7015 1 17 . 1 1 57 57 GLU C C 57 176.553 176.553 175.661 0.892 19002 7016 1 17 . 1 1 57 57 GLU CA C 57 57.076 57.076 57.425 -0.349 19002 7017 1 17 . 1 1 57 57 GLU CB C 57 30.052 30.052 29.662 0.390 19002 7018 1 17 . 1 1 57 57 GLU H H 57 8.153 8.153 8.579 -0.426 19002 7019 1 17 . 1 1 58 58 ARG N N 58 121.282 121.282 121.153 0.129 19002 7020 1 17 . 1 1 58 58 ARG HA H 58 4.372 4.372 4.460 -0.088 19002 7021 1 17 . 1 1 58 58 ARG C C 58 176.169 176.169 175.059 1.110 19002 7022 1 17 . 1 1 58 58 ARG CA C 58 56.344 56.344 56.269 0.075 19002 7023 1 17 . 1 1 58 58 ARG CB C 58 31.102 31.102 30.781 0.321 19002 7024 1 17 . 1 1 58 58 ARG H H 58 8.146 8.146 8.492 -0.346 19002 7025 1 17 . 1 1 59 59 ASP N N 59 121.619 121.619 119.051 2.568 19002 7026 1 17 . 1 1 59 59 ASP HA H 59 4.639 4.639 4.702 -0.063 19002 7027 1 17 . 1 1 59 59 ASP C C 59 176.553 176.553 176.837 -0.284 19002 7028 1 17 . 1 1 59 59 ASP CA C 59 54.768 54.768 55.632 -0.864 19002 7029 1 17 . 1 1 59 59 ASP CB C 59 41.256 41.256 41.751 -0.494 19002 7030 1 17 . 1 1 59 59 ASP H H 59 8.386 8.386 8.432 -0.046 19002 7031 1 17 . 1 1 60 60 GLU N N 60 121.214 121.214 119.973 1.241 19002 7032 1 17 . 1 1 60 60 GLU HA H 60 4.273 4.273 4.219 0.054 19002 7033 1 17 . 1 1 60 60 GLU C C 60 176.876 176.876 177.386 -0.510 19002 7034 1 17 . 1 1 60 60 GLU CA C 60 57.361 57.361 58.321 -0.960 19002 7035 1 17 . 1 1 60 60 GLU CB C 60 30.425 30.425 29.125 1.300 19002 7036 1 17 . 1 1 60 60 GLU H H 60 8.372 8.372 8.406 -0.034 19002 7037 1 17 . 1 1 61 61 GLU N N 61 121.077 121.077 120.836 0.241 19002 7038 1 17 . 1 1 61 61 GLU HA H 61 4.210 4.210 4.014 0.196 19002 7039 1 17 . 1 1 61 61 GLU C C 61 176.832 176.832 176.597 0.235 19002 7040 1 17 . 1 1 61 61 GLU CA C 61 57.734 57.734 58.167 -0.433 19002 7041 1 17 . 1 1 61 61 GLU CB C 61 30.425 30.425 29.904 0.521 19002 7042 1 17 . 1 1 61 61 GLU H H 61 8.384 8.384 8.150 0.234 19002 7043 1 17 . 1 1 62 62 GLU N N 62 121.155 121.155 117.569 3.586 19002 7044 1 17 . 1 1 62 62 GLU HA H 62 4.249 4.249 3.532 0.717 19002 7045 1 17 . 1 1 62 62 GLU C C 62 176.432 176.432 174.376 2.056 19002 7046 1 17 . 1 1 62 62 GLU CA C 62 57.137 57.137 55.769 1.368 19002 7047 1 17 . 1 1 62 62 GLU CB C 62 30.425 30.425 29.470 0.955 19002 7048 1 17 . 1 1 62 62 GLU H H 62 8.300 8.300 7.943 0.357 19002 7049 1 17 . 1 1 63 63 ALA N N 63 124.607 124.607 126.792 -2.185 19002 7050 1 17 . 1 1 63 63 ALA HA H 63 4.293 4.293 4.246 0.047 19002 7051 1 17 . 1 1 63 63 ALA C C 63 177.483 177.483 176.518 0.965 19002 7052 1 17 . 1 1 63 63 ALA CA C 63 52.915 52.915 53.420 -0.505 19002 7053 1 17 . 1 1 63 63 ALA CB C 63 19.070 19.070 17.562 1.508 19002 7054 1 17 . 1 1 63 63 ALA H H 63 8.178 8.178 8.631 -0.453 19002 7055 1 17 . 1 1 64 64 ILE N N 64 118.941 118.941 117.566 1.375 19002 7056 1 17 . 1 1 64 64 ILE HA H 64 4.076 4.076 4.130 -0.054 19002 7057 1 17 . 1 1 64 64 ILE C C 64 176.047 176.047 177.066 -1.019 19002 7058 1 17 . 1 1 64 64 ILE CA C 64 61.342 61.342 62.477 -1.135 19002 7059 1 17 . 1 1 64 64 ILE CB C 64 38.700 38.700 39.081 -0.381 19002 7060 1 17 . 1 1 64 64 ILE H H 64 7.872 7.872 8.218 -0.346 19002 7061 1 17 . 1 1 65 65 PHE N N 65 122.809 122.809 117.770 5.039 19002 7062 1 17 . 1 1 65 65 PHE HA H 65 4.615 4.615 4.912 -0.297 19002 7063 1 17 . 1 1 65 65 PHE C C 65 176.270 176.270 176.069 0.201 19002 7064 1 17 . 1 1 65 65 PHE CA C 65 57.807 57.807 57.164 0.643 19002 7065 1 17 . 1 1 65 65 PHE CB C 65 39.827 39.827 39.045 0.782 19002 7066 1 17 . 1 1 65 65 PHE H H 65 8.188 8.188 8.187 0.001 19002 7067 1 17 . 1 1 66 66 GLY N N 66 110.278 110.278 108.932 1.346 19002 7068 1 17 . 1 1 66 66 GLY C C 66 173.802 173.802 172.091 1.711 19002 7069 1 17 . 1 1 66 66 GLY CA C 66 45.391 45.391 44.499 0.892 19002 7070 1 17 . 1 1 66 66 GLY H H 66 8.213 8.213 7.307 0.906 19002 7071 1 17 . 1 1 67 67 ASP N N 67 120.510 120.510 121.909 -1.399 19002 7072 1 17 . 1 1 67 67 ASP HA H 67 4.599 4.599 4.493 0.106 19002 7073 1 17 . 1 1 67 67 ASP C C 67 176.897 176.897 177.073 -0.176 19002 7074 1 17 . 1 1 67 67 ASP CA C 67 54.425 54.425 55.113 -0.688 19002 7075 1 17 . 1 1 67 67 ASP CB C 67 41.265 41.265 40.612 0.653 19002 7076 1 17 . 1 1 67 67 ASP H H 67 8.254 8.254 8.427 -0.173 19002 7077 1 17 . 1 1 68 68 GLY N N 68 108.789 108.789 111.309 -2.520 19002 7078 1 17 . 1 1 68 68 GLY C C 68 174.307 174.307 173.644 0.663 19002 7079 1 17 . 1 1 68 68 GLY CA C 68 46.020 46.020 44.785 1.235 19002 7080 1 17 . 1 1 68 68 GLY H H 68 8.342 8.342 8.247 0.095 19002 7081 1 17 . 1 1 69 69 PHE N N 69 119.903 119.903 117.156 2.747 19002 7082 1 17 . 1 1 69 69 PHE HA H 69 4.599 4.599 4.628 -0.029 19002 7083 1 17 . 1 1 69 69 PHE C C 69 176.432 176.432 175.976 0.456 19002 7084 1 17 . 1 1 69 69 PHE CA C 69 58.146 58.146 57.997 0.149 19002 7085 1 17 . 1 1 69 69 PHE CB C 69 39.339 39.339 39.124 0.215 19002 7086 1 17 . 1 1 69 69 PHE H H 69 8.178 8.178 8.202 -0.024 19002 7087 1 17 . 1 1 70 70 GLY N N 70 110.089 110.089 110.359 -0.270 19002 7088 1 17 . 1 1 70 70 GLY C C 70 174.227 174.227 175.329 -1.102 19002 7089 1 17 . 1 1 70 70 GLY CA C 70 45.628 45.628 46.003 -0.375 19002 7090 1 17 . 1 1 70 70 GLY H H 70 8.382 8.382 7.356 1.026 19002 7091 1 17 . 1 1 71 71 LEU N N 71 121.600 121.600 119.726 1.874 19002 7092 1 17 . 1 1 71 71 LEU HA H 71 4.290 4.290 4.377 -0.087 19002 7093 1 17 . 1 1 71 71 LEU C C 71 177.645 177.645 176.611 1.034 19002 7094 1 17 . 1 1 71 71 LEU CA C 71 55.500 55.500 56.724 -1.224 19002 7095 1 17 . 1 1 71 71 LEU CB C 71 42.400 42.400 43.086 -0.686 19002 7096 1 17 . 1 1 71 71 LEU H H 71 8.069 8.069 8.273 -0.204 19002 7097 1 17 . 1 1 72 72 LYS N N 72 121.214 121.214 117.099 4.115 19002 7098 1 17 . 1 1 72 72 LYS HA H 72 4.283 4.283 4.499 -0.216 19002 7099 1 17 . 1 1 72 72 LYS C C 72 176.553 176.553 174.528 2.025 19002 7100 1 17 . 1 1 72 72 LYS CA C 72 56.594 56.594 55.511 1.083 19002 7101 1 17 . 1 1 72 72 LYS CB C 72 32.765 32.765 34.863 -2.098 19002 7102 1 17 . 1 1 72 72 LYS H H 72 8.372 8.372 8.017 0.355 19002 7103 1 17 . 1 1 73 73 ALA N N 73 124.187 124.187 123.219 0.968 19002 7104 1 17 . 1 1 73 73 ALA HA H 73 4.347 4.347 4.711 -0.364 19002 7105 1 17 . 1 1 73 73 ALA C C 73 178.009 178.009 176.703 1.306 19002 7106 1 17 . 1 1 73 73 ALA CA C 73 52.597 52.597 51.727 0.870 19002 7107 1 17 . 1 1 73 73 ALA CB C 73 19.239 19.239 20.816 -1.577 19002 7108 1 17 . 1 1 73 73 ALA H H 73 8.188 8.188 8.253 -0.065 19002 7109 1 17 . 1 1 74 74 THR N N 74 112.973 112.973 110.176 2.797 19002 7110 1 17 . 1 1 74 74 THR HA H 74 4.339 4.339 4.066 0.273 19002 7111 1 17 . 1 1 74 74 THR C C 74 174.753 174.753 174.301 0.452 19002 7112 1 17 . 1 1 74 74 THR CA C 74 62.046 62.046 62.819 -0.773 19002 7113 1 17 . 1 1 74 74 THR CB C 74 69.779 69.779 67.623 2.156 19002 7114 1 17 . 1 1 74 74 THR H H 74 8.054 8.054 8.368 -0.314 19002 7115 1 17 . 1 1 75 75 ARG N N 75 123.112 123.112 121.881 1.231 19002 7116 1 17 . 1 1 75 75 ARG HA H 75 4.371 4.371 4.275 0.096 19002 7117 1 17 . 1 1 75 75 ARG C C 75 176.411 176.411 175.653 0.758 19002 7118 1 17 . 1 1 75 75 ARG CA C 75 56.801 56.801 56.188 0.613 19002 7119 1 17 . 1 1 75 75 ARG CB C 75 30.798 30.798 29.093 1.705 19002 7120 1 17 . 1 1 75 75 ARG H H 75 8.296 8.296 8.420 -0.124 19002 7121 1 17 . 1 1 76 76 ARG N N 76 121.977 121.977 121.974 0.003 19002 7122 1 17 . 1 1 76 76 ARG HA H 76 4.362 4.362 4.559 -0.197 19002 7123 1 17 . 1 1 76 76 ARG C C 76 176.411 176.411 176.054 0.357 19002 7124 1 17 . 1 1 76 76 ARG CA C 76 56.689 56.689 55.151 1.538 19002 7125 1 17 . 1 1 76 76 ARG CB C 76 30.873 30.873 32.267 -1.394 19002 7126 1 17 . 1 1 76 76 ARG H H 76 8.360 8.360 8.044 0.316 19002 7127 1 17 . 1 1 77 77 SER N N 77 116.981 116.981 121.600 -4.619 19002 7128 1 17 . 1 1 77 77 SER HA H 77 4.483 4.483 4.567 -0.084 19002 7129 1 17 . 1 1 77 77 SER C C 77 174.672 174.672 174.904 -0.232 19002 7130 1 17 . 1 1 77 77 SER CA C 77 58.497 58.497 58.049 0.448 19002 7131 1 17 . 1 1 77 77 SER CB C 77 63.839 63.839 62.529 1.310 19002 7132 1 17 . 1 1 77 77 SER H H 77 8.325 8.325 8.879 -0.554 19002 7133 1 17 . 1 1 78 78 ARG N N 78 123.324 123.324 124.234 -0.910 19002 7134 1 17 . 1 1 78 78 ARG HA H 78 4.377 4.377 4.049 0.328 19002 7135 1 17 . 1 1 78 78 ARG C C 78 176.492 176.492 177.588 -1.096 19002 7136 1 17 . 1 1 78 78 ARG CA C 78 56.619 56.619 59.557 -2.938 19002 7137 1 17 . 1 1 78 78 ARG CB C 78 30.873 30.873 30.356 0.517 19002 7138 1 17 . 1 1 78 78 ARG H H 78 8.421 8.421 7.892 0.529 19002 7139 1 17 . 1 1 79 79 LYS N N 79 122.352 122.352 118.920 3.432 19002 7140 1 17 . 1 1 79 79 LYS HA H 79 4.266 4.266 4.479 -0.213 19002 7141 1 17 . 1 1 79 79 LYS C C 79 176.472 176.472 177.976 -1.504 19002 7142 1 17 . 1 1 79 79 LYS CA C 79 57.076 57.076 58.253 -1.177 19002 7143 1 17 . 1 1 79 79 LYS CB C 79 33.186 33.186 32.273 0.913 19002 7144 1 17 . 1 1 79 79 LYS H H 79 8.300 8.300 8.486 -0.186 19002 7145 1 17 . 1 1 80 80 ALA N N 80 124.816 124.816 120.311 4.505 19002 7146 1 17 . 1 1 80 80 ALA HA H 80 4.308 4.308 4.251 0.057 19002 7147 1 17 . 1 1 80 80 ALA C C 80 177.787 177.787 178.390 -0.603 19002 7148 1 17 . 1 1 80 80 ALA CA C 80 52.597 52.597 54.013 -1.416 19002 7149 1 17 . 1 1 80 80 ALA CB C 80 19.180 19.180 18.284 0.896 19002 7150 1 17 . 1 1 80 80 ALA H H 80 8.269 8.269 7.779 0.490 19002 7151 1 17 . 1 1 81 81 GLU N N 81 120.243 120.243 118.932 1.311 19002 7152 1 17 . 1 1 81 81 GLU HA H 81 4.278 4.278 4.368 -0.090 19002 7153 1 17 . 1 1 81 81 GLU C C 81 176.614 176.614 177.516 -0.902 19002 7154 1 17 . 1 1 81 81 GLU CA C 81 56.893 56.893 57.362 -0.469 19002 7155 1 17 . 1 1 81 81 GLU CB C 81 30.374 30.374 31.028 -0.654 19002 7156 1 17 . 1 1 81 81 GLU H H 81 8.283 8.283 7.511 0.772 19002 7157 1 17 . 1 1 82 82 ARG N N 82 121.743 121.743 120.440 1.303 19002 7158 1 17 . 1 1 82 82 ARG HA H 82 4.378 4.378 4.526 -0.148 19002 7159 1 17 . 1 1 82 82 ARG C C 82 175.946 175.946 176.746 -0.800 19002 7160 1 17 . 1 1 82 82 ARG CA C 82 56.047 56.047 53.901 2.146 19002 7161 1 17 . 1 1 82 82 ARG CB C 82 30.757 30.757 28.041 2.716 19002 7162 1 17 . 1 1 82 82 ARG H H 82 8.256 8.256 8.600 -0.344 19002 7163 1 17 . 1 1 83 83 ALA N N 83 125.049 125.049 125.256 -0.207 19002 7164 1 17 . 1 1 83 83 ALA HA H 83 4.313 4.313 4.227 0.086 19002 7165 1 17 . 1 1 83 83 ALA C C 83 177.322 177.322 177.167 0.155 19002 7166 1 17 . 1 1 83 83 ALA CA C 83 52.872 52.872 53.437 -0.565 19002 7167 1 17 . 1 1 83 83 ALA CB C 83 19.239 19.239 19.745 -0.506 19002 7168 1 17 . 1 1 83 83 ALA H H 83 8.241 8.241 7.819 0.422 19002 7169 1 17 . 1 1 84 84 LYS N N 84 121.088 121.088 118.678 2.410 19002 7170 1 17 . 1 1 84 84 LYS HA H 84 4.286 4.286 4.468 -0.182 19002 7171 1 17 . 1 1 84 84 LYS C C 84 175.460 175.460 175.372 0.088 19002 7172 1 17 . 1 1 84 84 LYS CA C 84 56.316 56.316 56.216 0.100 19002 7173 1 17 . 1 1 84 84 LYS CB C 84 32.923 32.923 32.825 0.098 19002 7174 1 17 . 1 1 84 84 LYS H H 84 8.186 8.186 8.034 0.152 19002 7175 1 18 . 1 1 12 12 ARG N N 12 121.400 121.400 122.994 -1.594 19002 7176 1 18 . 1 1 12 12 ARG HA H 12 4.640 4.640 4.664 -0.024 19002 7177 1 18 . 1 1 12 12 ARG C C 12 174.242 174.242 174.467 -0.225 19002 7178 1 18 . 1 1 12 12 ARG CA C 12 53.900 53.900 54.931 -1.031 19002 7179 1 18 . 1 1 12 12 ARG CB C 12 30.400 30.400 30.820 -0.420 19002 7180 1 18 . 1 1 12 12 ARG H H 12 8.140 8.140 8.409 -0.269 19002 7181 1 18 . 1 1 13 13 PRO HA H 13 4.457 4.457 4.652 -0.195 19002 7182 1 18 . 1 1 13 13 PRO C C 13 177.524 177.524 176.581 0.943 19002 7183 1 18 . 1 1 13 13 PRO CA C 13 63.259 63.259 62.267 0.993 19002 7184 1 18 . 1 1 13 13 PRO CB C 13 32.067 32.067 32.570 -0.503 19002 7185 1 18 . 1 1 14 14 GLY N N 14 109.192 109.192 107.932 1.260 19002 7186 1 18 . 1 1 14 14 GLY C C 14 174.227 174.227 174.659 -0.432 19002 7187 1 18 . 1 1 14 14 GLY CA C 14 45.497 45.497 45.016 0.481 19002 7188 1 18 . 1 1 14 14 GLY H H 14 8.467 8.467 8.220 0.247 19002 7189 1 18 . 1 1 15 15 VAL N N 15 119.157 119.157 118.884 0.273 19002 7190 1 18 . 1 1 15 15 VAL HA H 15 4.081 4.081 4.046 0.035 19002 7191 1 18 . 1 1 15 15 VAL C C 15 175.986 175.986 176.496 -0.510 19002 7192 1 18 . 1 1 15 15 VAL CA C 15 62.529 62.529 63.538 -1.008 19002 7193 1 18 . 1 1 15 15 VAL CB C 15 32.491 32.491 32.186 0.305 19002 7194 1 18 . 1 1 15 15 VAL H H 15 7.837 7.837 8.195 -0.358 19002 7195 1 18 . 1 1 16 16 PHE N N 16 123.110 123.110 121.656 1.454 19002 7196 1 18 . 1 1 16 16 PHE HA H 16 4.614 4.614 4.688 -0.074 19002 7197 1 18 . 1 1 16 16 PHE C C 16 175.804 175.804 174.859 0.945 19002 7198 1 18 . 1 1 16 16 PHE CA C 16 58.398 58.398 56.740 1.658 19002 7199 1 18 . 1 1 16 16 PHE CB C 16 39.475 39.475 39.121 0.354 19002 7200 1 18 . 1 1 16 16 PHE H H 16 8.265 8.265 7.967 0.298 19002 7201 1 18 . 1 1 17 17 ARG N N 17 122.074 122.074 125.700 -3.626 19002 7202 1 18 . 1 1 17 17 ARG HA H 17 4.323 4.323 4.312 0.011 19002 7203 1 18 . 1 1 17 17 ARG C C 17 176.452 176.452 175.388 1.064 19002 7204 1 18 . 1 1 17 17 ARG CA C 17 56.710 56.710 55.023 1.687 19002 7205 1 18 . 1 1 17 17 ARG CB C 17 30.937 30.937 32.041 -1.104 19002 7206 1 18 . 1 1 17 17 ARG H H 17 8.155 8.155 7.869 0.286 19002 7207 1 18 . 1 1 18 18 THR N N 18 114.223 114.223 113.591 0.632 19002 7208 1 18 . 1 1 18 18 THR HA H 18 4.231 4.231 4.206 0.025 19002 7209 1 18 . 1 1 18 18 THR C C 18 174.348 174.348 175.147 -0.799 19002 7210 1 18 . 1 1 18 18 THR CA C 18 62.410 62.410 62.159 0.251 19002 7211 1 18 . 1 1 18 18 THR CB C 18 69.509 69.509 68.740 0.769 19002 7212 1 18 . 1 1 18 18 THR H H 18 8.015 8.015 8.198 -0.183 19002 7213 1 18 . 1 1 19 19 ARG N N 19 120.957 120.957 125.052 -4.095 19002 7214 1 18 . 1 1 19 19 ARG HA H 19 4.323 4.323 4.216 0.107 19002 7215 1 18 . 1 1 19 19 ARG C C 19 175.986 175.986 176.208 -0.222 19002 7216 1 18 . 1 1 19 19 ARG CA C 19 56.093 56.093 55.330 0.763 19002 7217 1 18 . 1 1 19 19 ARG CB C 19 30.480 30.480 27.835 2.645 19002 7218 1 18 . 1 1 19 19 ARG H H 19 8.080 8.080 8.687 -0.607 19002 7219 1 18 . 1 1 20 20 GLY N N 20 107.963 107.963 108.110 -0.147 19002 7220 1 18 . 1 1 20 20 GLY C C 20 173.802 173.802 173.692 0.110 19002 7221 1 18 . 1 1 20 20 GLY CA C 20 45.273 45.273 44.982 0.291 19002 7222 1 18 . 1 1 20 20 GLY H H 20 8.241 8.241 7.926 0.315 19002 7223 1 18 . 1 1 21 21 LEU N N 21 121.181 121.181 121.322 -0.141 19002 7224 1 18 . 1 1 21 21 LEU HA H 21 4.770 4.770 4.425 0.345 19002 7225 1 18 . 1 1 21 21 LEU C C 21 178.414 178.414 177.463 0.951 19002 7226 1 18 . 1 1 21 21 LEU CA C 21 54.677 54.677 54.820 -0.143 19002 7227 1 18 . 1 1 21 21 LEU CB C 21 43.142 43.142 42.984 0.157 19002 7228 1 18 . 1 1 21 21 LEU H H 21 7.967 7.967 7.847 0.120 19002 7229 1 18 . 1 1 22 22 THR N N 22 114.494 114.494 118.104 -3.610 19002 7230 1 18 . 1 1 22 22 THR HA H 22 4.558 4.558 4.424 0.134 19002 7231 1 18 . 1 1 22 22 THR C C 22 175.359 175.359 175.397 -0.038 19002 7232 1 18 . 1 1 22 22 THR CA C 22 61.316 61.316 61.236 0.080 19002 7233 1 18 . 1 1 22 22 THR CB C 22 71.015 71.015 70.525 0.490 19002 7234 1 18 . 1 1 22 22 THR H H 22 9.075 9.075 9.396 -0.321 19002 7235 1 18 . 1 1 23 23 ASP N N 23 121.204 121.204 121.477 -0.273 19002 7236 1 18 . 1 1 23 23 ASP HA H 23 4.485 4.485 4.385 0.100 19002 7237 1 18 . 1 1 23 23 ASP C C 23 178.697 178.697 178.613 0.084 19002 7238 1 18 . 1 1 23 23 ASP CA C 23 58.315 58.315 58.471 -0.156 19002 7239 1 18 . 1 1 23 23 ASP CB C 23 39.931 39.931 40.734 -0.803 19002 7240 1 18 . 1 1 23 23 ASP H H 23 8.943 8.943 8.854 0.089 19002 7241 1 18 . 1 1 24 24 GLU N N 24 119.241 119.241 119.262 -0.021 19002 7242 1 18 . 1 1 24 24 GLU HA H 24 4.199 4.199 4.120 0.079 19002 7243 1 18 . 1 1 24 24 GLU C C 24 179.911 179.911 178.825 1.086 19002 7244 1 18 . 1 1 24 24 GLU CA C 24 59.973 59.973 59.556 0.417 19002 7245 1 18 . 1 1 24 24 GLU CB C 24 29.306 29.306 29.551 -0.245 19002 7246 1 18 . 1 1 24 24 GLU H H 24 8.741 8.741 8.712 0.029 19002 7247 1 18 . 1 1 25 25 GLU N N 25 121.151 121.151 120.763 0.388 19002 7248 1 18 . 1 1 25 25 GLU HA H 25 4.200 4.200 4.232 -0.032 19002 7249 1 18 . 1 1 25 25 GLU C C 25 178.394 178.394 179.151 -0.757 19002 7250 1 18 . 1 1 25 25 GLU CA C 25 59.178 59.178 59.225 -0.047 19002 7251 1 18 . 1 1 25 25 GLU CB C 25 30.873 30.873 29.891 0.982 19002 7252 1 18 . 1 1 25 25 GLU H H 25 7.801 7.801 7.657 0.144 19002 7253 1 18 . 1 1 26 26 TYR N N 26 120.692 120.692 120.349 0.343 19002 7254 1 18 . 1 1 26 26 TYR HA H 26 4.184 4.184 4.138 0.046 19002 7255 1 18 . 1 1 26 26 TYR C C 26 177.483 177.483 177.464 0.019 19002 7256 1 18 . 1 1 26 26 TYR CA C 26 61.924 61.924 61.224 0.700 19002 7257 1 18 . 1 1 26 26 TYR CB C 26 37.837 37.837 38.657 -0.820 19002 7258 1 18 . 1 1 26 26 TYR H H 26 8.897 8.897 8.928 -0.031 19002 7259 1 18 . 1 1 27 27 ASP N N 27 118.898 118.898 119.892 -0.994 19002 7260 1 18 . 1 1 27 27 ASP HA H 27 4.338 4.338 4.275 0.063 19002 7261 1 18 . 1 1 27 27 ASP C C 27 178.535 178.535 177.983 0.552 19002 7262 1 18 . 1 1 27 27 ASP CA C 27 57.864 57.864 57.739 0.125 19002 7263 1 18 . 1 1 27 27 ASP CB C 27 40.797 40.797 40.755 0.042 19002 7264 1 18 . 1 1 27 27 ASP H H 27 8.135 8.135 8.160 -0.025 19002 7265 1 18 . 1 1 28 28 GLU N N 28 121.020 121.020 120.820 0.200 19002 7266 1 18 . 1 1 28 28 GLU HA H 28 4.101 4.101 4.056 0.044 19002 7267 1 18 . 1 1 28 28 GLU C C 28 178.394 178.394 178.536 -0.142 19002 7268 1 18 . 1 1 28 28 GLU CA C 28 59.450 59.450 59.092 0.358 19002 7269 1 18 . 1 1 28 28 GLU CB C 28 29.231 29.231 29.426 -0.195 19002 7270 1 18 . 1 1 28 28 GLU H H 28 7.655 7.655 8.098 -0.443 19002 7271 1 18 . 1 1 29 29 PHE N N 29 121.567 121.567 120.491 1.076 19002 7272 1 18 . 1 1 29 29 PHE HA H 29 3.765 3.765 3.999 -0.234 19002 7273 1 18 . 1 1 29 29 PHE C C 29 176.169 176.169 177.125 -0.956 19002 7274 1 18 . 1 1 29 29 PHE CA C 29 61.371 61.371 60.756 0.615 19002 7275 1 18 . 1 1 29 29 PHE CB C 29 37.588 37.588 38.415 -0.827 19002 7276 1 18 . 1 1 29 29 PHE H H 29 8.471 8.471 8.428 0.043 19002 7277 1 18 . 1 1 30 30 LYS N N 30 118.916 118.916 119.334 -0.418 19002 7278 1 18 . 1 1 30 30 LYS HA H 30 3.137 3.137 3.338 -0.201 19002 7279 1 18 . 1 1 30 30 LYS C C 30 179.445 179.445 178.832 0.613 19002 7280 1 18 . 1 1 30 30 LYS CA C 30 60.346 60.346 59.789 0.557 19002 7281 1 18 . 1 1 30 30 LYS CB C 30 31.992 31.992 31.998 -0.006 19002 7282 1 18 . 1 1 30 30 LYS H H 30 8.287 8.287 8.044 0.243 19002 7283 1 18 . 1 1 31 31 LYS N N 31 120.113 120.113 119.483 0.630 19002 7284 1 18 . 1 1 31 31 LYS HA H 31 4.018 4.018 3.871 0.147 19002 7285 1 18 . 1 1 31 31 LYS C C 31 179.918 179.918 179.219 0.699 19002 7286 1 18 . 1 1 31 31 LYS CA C 31 59.700 59.700 59.640 0.060 19002 7287 1 18 . 1 1 31 31 LYS CB C 31 32.300 32.300 32.228 0.071 19002 7288 1 18 . 1 1 31 31 LYS H H 31 7.690 7.690 8.305 -0.615 19002 7289 1 18 . 1 1 32 32 ARG N N 32 121.200 121.200 118.098 3.102 19002 7290 1 18 . 1 1 32 32 ARG HA H 32 3.893 3.893 3.756 0.137 19002 7291 1 18 . 1 1 32 32 ARG C C 32 178.990 178.990 178.723 0.267 19002 7292 1 18 . 1 1 32 32 ARG CA C 32 59.452 59.452 59.577 -0.125 19002 7293 1 18 . 1 1 32 32 ARG CB C 32 31.284 31.284 29.919 1.365 19002 7294 1 18 . 1 1 32 32 ARG H H 32 8.299 8.299 8.479 -0.180 19002 7295 1 18 . 1 1 33 33 ARG N N 33 120.223 120.223 120.090 0.133 19002 7296 1 18 . 1 1 33 33 ARG HA H 33 3.698 3.698 4.019 -0.321 19002 7297 1 18 . 1 1 33 33 ARG C C 33 178.697 178.697 177.644 1.053 19002 7298 1 18 . 1 1 33 33 ARG CA C 33 59.607 59.607 59.026 0.581 19002 7299 1 18 . 1 1 33 33 ARG CB C 33 29.570 29.570 29.837 -0.267 19002 7300 1 18 . 1 1 33 33 ARG H H 33 8.704 8.704 8.213 0.491 19002 7301 1 18 . 1 1 34 34 GLU N N 34 119.860 119.860 119.698 0.162 19002 7302 1 18 . 1 1 34 34 GLU HA H 34 4.046 4.046 3.977 0.069 19002 7303 1 18 . 1 1 34 34 GLU C C 34 179.850 179.850 179.111 0.739 19002 7304 1 18 . 1 1 34 34 GLU CA C 34 59.210 59.210 59.395 -0.186 19002 7305 1 18 . 1 1 34 34 GLU CB C 34 29.380 29.380 29.231 0.149 19002 7306 1 18 . 1 1 34 34 GLU H H 34 7.941 7.941 8.302 -0.361 19002 7307 1 18 . 1 1 35 35 SER N N 35 115.261 115.261 115.274 -0.013 19002 7308 1 18 . 1 1 35 35 SER HA H 35 4.378 4.378 4.204 0.174 19002 7309 1 18 . 1 1 35 35 SER C C 35 175.339 175.339 175.766 -0.427 19002 7310 1 18 . 1 1 35 35 SER CA C 35 60.068 60.068 60.467 -0.399 19002 7311 1 18 . 1 1 35 35 SER CB C 35 63.321 63.321 63.028 0.293 19002 7312 1 18 . 1 1 35 35 SER H H 35 7.813 7.813 8.031 -0.218 19002 7313 1 18 . 1 1 36 36 ARG N N 36 119.557 119.557 119.428 0.129 19002 7314 1 18 . 1 1 36 36 ARG HA H 36 4.439 4.439 4.473 -0.034 19002 7315 1 18 . 1 1 36 36 ARG C C 36 177.524 177.524 175.625 1.899 19002 7316 1 18 . 1 1 36 36 ARG CA C 36 55.794 55.794 54.760 1.034 19002 7317 1 18 . 1 1 36 36 ARG CB C 36 30.276 30.276 30.229 0.047 19002 7318 1 18 . 1 1 36 36 ARG H H 36 7.459 7.459 7.070 0.389 19002 7319 1 18 . 1 1 37 37 GLY N N 37 109.722 109.722 107.106 2.616 19002 7320 1 18 . 1 1 37 37 GLY C C 37 175.117 175.117 175.304 -0.187 19002 7321 1 18 . 1 1 37 37 GLY CA C 37 46.691 46.691 45.762 0.929 19002 7322 1 18 . 1 1 37 37 GLY H H 37 7.981 7.981 7.992 -0.011 19002 7323 1 18 . 1 1 38 38 GLY N N 38 104.904 104.904 106.563 -1.659 19002 7324 1 18 . 1 1 38 38 GLY C C 38 174.489 174.489 175.174 -0.685 19002 7325 1 18 . 1 1 38 38 GLY CA C 38 45.012 45.012 44.926 0.086 19002 7326 1 18 . 1 1 38 38 GLY H H 38 8.271 8.271 8.692 -0.421 19002 7327 1 18 . 1 1 39 39 LYS N N 39 122.169 122.169 122.696 -0.527 19002 7328 1 18 . 1 1 39 39 LYS HA H 39 4.515 4.515 4.357 0.158 19002 7329 1 18 . 1 1 39 39 LYS C C 39 174.995 174.995 175.009 -0.014 19002 7330 1 18 . 1 1 39 39 LYS CA C 39 55.622 55.622 56.042 -0.420 19002 7331 1 18 . 1 1 39 39 LYS CB C 39 30.846 30.846 30.676 0.170 19002 7332 1 18 . 1 1 39 39 LYS H H 39 7.471 7.471 7.624 -0.153 19002 7333 1 18 . 1 1 40 40 TYR N N 40 123.749 123.749 121.804 1.945 19002 7334 1 18 . 1 1 40 40 TYR HA H 40 4.893 4.893 4.660 0.233 19002 7335 1 18 . 1 1 40 40 TYR C C 40 173.883 173.883 174.058 -0.175 19002 7336 1 18 . 1 1 40 40 TYR CA C 40 58.629 58.629 57.593 1.036 19002 7337 1 18 . 1 1 40 40 TYR CB C 40 40.871 40.871 40.674 0.197 19002 7338 1 18 . 1 1 40 40 TYR H H 40 7.687 7.687 8.010 -0.323 19002 7339 1 18 . 1 1 41 41 SER N N 41 124.561 124.561 121.409 3.152 19002 7340 1 18 . 1 1 41 41 SER HA H 41 5.061 5.061 4.633 0.428 19002 7341 1 18 . 1 1 41 41 SER C C 41 175.258 175.258 175.085 0.173 19002 7342 1 18 . 1 1 41 41 SER CA C 41 56.913 56.913 57.021 -0.108 19002 7343 1 18 . 1 1 41 41 SER CB C 41 67.136 67.136 64.773 2.363 19002 7344 1 18 . 1 1 41 41 SER H H 41 9.246 9.246 8.128 1.118 19002 7345 1 18 . 1 1 42 42 ILE N N 42 122.298 122.298 122.150 0.148 19002 7346 1 18 . 1 1 42 42 ILE HA H 42 3.384 3.384 3.306 0.078 19002 7347 1 18 . 1 1 42 42 ILE C C 42 176.573 176.573 176.926 -0.353 19002 7348 1 18 . 1 1 42 42 ILE CA C 42 63.317 63.317 63.105 0.212 19002 7349 1 18 . 1 1 42 42 ILE CB C 42 37.290 37.290 37.892 -0.602 19002 7350 1 18 . 1 1 42 42 ILE H H 42 8.848 8.848 8.859 -0.011 19002 7351 1 18 . 1 1 43 43 ASP N N 43 118.987 118.987 119.658 -0.671 19002 7352 1 18 . 1 1 43 43 ASP HA H 43 4.317 4.317 4.344 -0.027 19002 7353 1 18 . 1 1 43 43 ASP C C 43 178.940 178.940 178.127 0.813 19002 7354 1 18 . 1 1 43 43 ASP CA C 43 57.809 57.809 59.036 -1.227 19002 7355 1 18 . 1 1 43 43 ASP CB C 43 40.722 40.722 39.856 0.866 19002 7356 1 18 . 1 1 43 43 ASP H H 43 7.673 7.673 8.583 -0.910 19002 7357 1 18 . 1 1 44 44 ASP N N 44 121.961 121.961 119.661 2.300 19002 7358 1 18 . 1 1 44 44 ASP HA H 44 4.259 4.259 4.344 -0.085 19002 7359 1 18 . 1 1 44 44 ASP C C 44 177.564 177.564 178.131 -0.567 19002 7360 1 18 . 1 1 44 44 ASP CA C 44 57.624 57.624 57.002 0.622 19002 7361 1 18 . 1 1 44 44 ASP CB C 44 41.244 41.244 40.830 0.414 19002 7362 1 18 . 1 1 44 44 ASP H H 44 7.610 7.610 7.677 -0.067 19002 7363 1 18 . 1 1 45 45 TYR N N 45 121.352 121.352 121.409 -0.057 19002 7364 1 18 . 1 1 45 45 TYR HA H 45 4.676 4.676 4.476 0.200 19002 7365 1 18 . 1 1 45 45 TYR C C 45 177.362 177.362 177.995 -0.633 19002 7366 1 18 . 1 1 45 45 TYR CA C 45 60.703 60.703 61.328 -0.625 19002 7367 1 18 . 1 1 45 45 TYR CB C 45 38.747 38.747 38.804 -0.057 19002 7368 1 18 . 1 1 45 45 TYR H H 45 7.750 7.750 7.225 0.525 19002 7369 1 18 . 1 1 46 46 LEU N N 46 118.650 118.650 119.688 -1.038 19002 7370 1 18 . 1 1 46 46 LEU HA H 46 3.697 3.697 3.777 -0.080 19002 7371 1 18 . 1 1 46 46 LEU C C 46 179.850 179.850 179.102 0.748 19002 7372 1 18 . 1 1 46 46 LEU CA C 46 57.807 57.807 57.822 -0.015 19002 7373 1 18 . 1 1 46 46 LEU CB C 46 41.205 41.205 41.399 -0.194 19002 7374 1 18 . 1 1 46 46 LEU H H 46 8.544 8.544 8.854 -0.310 19002 7375 1 18 . 1 1 47 47 ALA N N 47 121.991 121.991 121.662 0.329 19002 7376 1 18 . 1 1 47 47 ALA HA H 47 4.190 4.190 3.947 0.243 19002 7377 1 18 . 1 1 47 47 ALA C C 47 180.457 180.457 179.146 1.311 19002 7378 1 18 . 1 1 47 47 ALA CA C 47 55.048 55.048 55.535 -0.487 19002 7379 1 18 . 1 1 47 47 ALA CB C 47 18.337 18.337 17.988 0.349 19002 7380 1 18 . 1 1 47 47 ALA H H 47 7.716 7.716 8.434 -0.718 19002 7381 1 18 . 1 1 48 48 ASP N N 48 120.788 120.788 118.219 2.569 19002 7382 1 18 . 1 1 48 48 ASP HA H 48 4.505 4.505 4.412 0.093 19002 7383 1 18 . 1 1 48 48 ASP C C 48 178.596 178.596 178.102 0.494 19002 7384 1 18 . 1 1 48 48 ASP CA C 48 57.361 57.361 56.675 0.686 19002 7385 1 18 . 1 1 48 48 ASP CB C 48 40.076 40.076 40.994 -0.918 19002 7386 1 18 . 1 1 48 48 ASP H H 48 8.316 8.316 7.491 0.825 19002 7387 1 18 . 1 1 49 49 ARG N N 49 120.274 120.274 121.049 -0.775 19002 7388 1 18 . 1 1 49 49 ARG HA H 49 3.952 3.952 4.040 -0.088 19002 7389 1 18 . 1 1 49 49 ARG C C 49 178.454 178.454 178.454 0.000 19002 7390 1 18 . 1 1 49 49 ARG CA C 49 58.133 58.133 58.873 -0.740 19002 7391 1 18 . 1 1 49 49 ARG CB C 49 29.231 29.231 30.010 -0.779 19002 7392 1 18 . 1 1 49 49 ARG H H 49 8.459 8.459 8.259 0.200 19002 7393 1 18 . 1 1 50 50 GLU N N 50 118.834 118.834 117.713 1.121 19002 7394 1 18 . 1 1 50 50 GLU HA H 50 4.101 4.101 4.041 0.060 19002 7395 1 18 . 1 1 50 50 GLU C C 50 178.353 178.353 179.108 -0.755 19002 7396 1 18 . 1 1 50 50 GLU CA C 50 58.928 58.928 59.306 -0.378 19002 7397 1 18 . 1 1 50 50 GLU CB C 50 29.530 29.530 29.025 0.505 19002 7398 1 18 . 1 1 50 50 GLU H H 50 7.734 7.734 8.417 -0.683 19002 7399 1 18 . 1 1 51 51 ARG N N 51 119.239 119.239 118.216 1.023 19002 7400 1 18 . 1 1 51 51 ARG HA H 51 4.240 4.240 4.145 0.095 19002 7401 1 18 . 1 1 51 51 ARG C C 51 178.370 178.370 178.998 -0.628 19002 7402 1 18 . 1 1 51 51 ARG CA C 51 58.105 58.105 58.888 -0.783 19002 7403 1 18 . 1 1 51 51 ARG CB C 51 30.649 30.649 30.376 0.273 19002 7404 1 18 . 1 1 51 51 ARG H H 51 7.694 7.694 7.267 0.427 19002 7405 1 18 . 1 1 52 52 GLU N N 52 119.667 119.667 120.143 -0.476 19002 7406 1 18 . 1 1 52 52 GLU HA H 52 4.099 4.099 3.964 0.135 19002 7407 1 18 . 1 1 52 52 GLU C C 52 178.370 178.370 178.887 -0.517 19002 7408 1 18 . 1 1 52 52 GLU CA C 52 58.538 58.538 59.433 -0.895 19002 7409 1 18 . 1 1 52 52 GLU CB C 52 29.661 29.661 29.097 0.564 19002 7410 1 18 . 1 1 52 52 GLU H H 52 8.299 8.299 8.329 -0.030 19002 7411 1 18 . 1 1 53 53 GLU N N 53 119.152 119.152 117.612 1.540 19002 7412 1 18 . 1 1 53 53 GLU HA H 53 4.210 4.210 3.976 0.234 19002 7413 1 18 . 1 1 53 53 GLU C C 53 177.740 177.740 177.917 -0.177 19002 7414 1 18 . 1 1 53 53 GLU CA C 53 58.172 58.172 59.155 -0.983 19002 7415 1 18 . 1 1 53 53 GLU CB C 53 29.530 29.530 29.382 0.148 19002 7416 1 18 . 1 1 53 53 GLU H H 53 8.098 8.098 8.371 -0.273 19002 7417 1 18 . 1 1 54 54 GLU N N 54 120.097 120.097 115.284 4.813 19002 7418 1 18 . 1 1 54 54 GLU HA H 54 4.212 4.212 4.258 -0.046 19002 7419 1 18 . 1 1 54 54 GLU C C 54 177.443 177.443 177.990 -0.547 19002 7420 1 18 . 1 1 54 54 GLU CA C 54 58.081 58.081 57.337 0.744 19002 7421 1 18 . 1 1 54 54 GLU CB C 54 29.788 29.788 29.678 0.110 19002 7422 1 18 . 1 1 54 54 GLU H H 54 7.968 7.968 7.803 0.165 19002 7423 1 18 . 1 1 55 55 LEU N N 55 120.563 120.563 118.477 2.086 19002 7424 1 18 . 1 1 55 55 LEU HA H 55 4.288 4.288 4.228 0.060 19002 7425 1 18 . 1 1 55 55 LEU C C 55 177.735 177.735 177.730 0.005 19002 7426 1 18 . 1 1 55 55 LEU CA C 55 56.070 56.070 56.120 -0.050 19002 7427 1 18 . 1 1 55 55 LEU CB C 55 42.062 42.062 42.661 -0.599 19002 7428 1 18 . 1 1 55 55 LEU H H 55 7.905 7.905 7.299 0.606 19002 7429 1 18 . 1 1 56 56 LEU N N 56 121.250 121.250 116.254 4.996 19002 7430 1 18 . 1 1 56 56 LEU HA H 56 4.312 4.312 4.567 -0.255 19002 7431 1 18 . 1 1 56 56 LEU C C 56 177.726 177.726 175.686 2.040 19002 7432 1 18 . 1 1 56 56 LEU CA C 56 55.979 55.979 53.517 2.462 19002 7433 1 18 . 1 1 56 56 LEU CB C 56 42.635 42.635 41.650 0.985 19002 7434 1 18 . 1 1 56 56 LEU H H 56 7.859 7.859 7.831 0.028 19002 7435 1 18 . 1 1 57 57 GLU N N 57 120.632 120.632 118.967 1.665 19002 7436 1 18 . 1 1 57 57 GLU HA H 57 4.283 4.283 4.112 0.171 19002 7437 1 18 . 1 1 57 57 GLU C C 57 176.553 176.553 176.173 0.380 19002 7438 1 18 . 1 1 57 57 GLU CA C 57 57.076 57.076 57.066 0.010 19002 7439 1 18 . 1 1 57 57 GLU CB C 57 30.052 30.052 29.212 0.840 19002 7440 1 18 . 1 1 57 57 GLU H H 57 8.153 8.153 8.217 -0.064 19002 7441 1 18 . 1 1 58 58 ARG N N 58 121.282 121.282 126.311 -5.029 19002 7442 1 18 . 1 1 58 58 ARG HA H 58 4.372 4.372 4.542 -0.170 19002 7443 1 18 . 1 1 58 58 ARG C C 58 176.169 176.169 176.769 -0.600 19002 7444 1 18 . 1 1 58 58 ARG CA C 58 56.344 56.344 55.049 1.295 19002 7445 1 18 . 1 1 58 58 ARG CB C 58 31.102 31.102 32.242 -1.140 19002 7446 1 18 . 1 1 58 58 ARG H H 58 8.146 8.146 8.576 -0.430 19002 7447 1 18 . 1 1 59 59 ASP N N 59 121.619 121.619 125.602 -3.983 19002 7448 1 18 . 1 1 59 59 ASP HA H 59 4.639 4.639 4.641 -0.002 19002 7449 1 18 . 1 1 59 59 ASP C C 59 176.553 176.553 176.511 0.042 19002 7450 1 18 . 1 1 59 59 ASP CA C 59 54.768 54.768 56.371 -1.603 19002 7451 1 18 . 1 1 59 59 ASP CB C 59 41.256 41.256 40.586 0.670 19002 7452 1 18 . 1 1 59 59 ASP H H 59 8.386 8.386 9.006 -0.620 19002 7453 1 18 . 1 1 60 60 GLU N N 60 121.214 121.214 118.339 2.875 19002 7454 1 18 . 1 1 60 60 GLU HA H 60 4.273 4.273 4.143 0.130 19002 7455 1 18 . 1 1 60 60 GLU C C 60 176.876 176.876 177.365 -0.489 19002 7456 1 18 . 1 1 60 60 GLU CA C 60 57.361 57.361 57.305 0.056 19002 7457 1 18 . 1 1 60 60 GLU CB C 60 30.425 30.425 29.263 1.162 19002 7458 1 18 . 1 1 60 60 GLU H H 60 8.372 8.372 8.458 -0.086 19002 7459 1 18 . 1 1 61 61 GLU N N 61 121.077 121.077 118.899 2.178 19002 7460 1 18 . 1 1 61 61 GLU HA H 61 4.210 4.210 4.152 0.058 19002 7461 1 18 . 1 1 61 61 GLU C C 61 176.832 176.832 177.137 -0.305 19002 7462 1 18 . 1 1 61 61 GLU CA C 61 57.734 57.734 58.596 -0.862 19002 7463 1 18 . 1 1 61 61 GLU CB C 61 30.425 30.425 30.391 0.034 19002 7464 1 18 . 1 1 61 61 GLU H H 61 8.384 8.384 7.606 0.778 19002 7465 1 18 . 1 1 62 62 GLU N N 62 121.155 121.155 116.765 4.390 19002 7466 1 18 . 1 1 62 62 GLU HA H 62 4.249 4.249 4.371 -0.122 19002 7467 1 18 . 1 1 62 62 GLU C C 62 176.432 176.432 174.940 1.492 19002 7468 1 18 . 1 1 62 62 GLU CA C 62 57.137 57.137 56.834 0.303 19002 7469 1 18 . 1 1 62 62 GLU CB C 62 30.425 30.425 31.344 -0.919 19002 7470 1 18 . 1 1 62 62 GLU H H 62 8.300 8.300 8.255 0.045 19002 7471 1 18 . 1 1 63 63 ALA N N 63 124.607 124.607 122.531 2.076 19002 7472 1 18 . 1 1 63 63 ALA HA H 63 4.293 4.293 4.773 -0.480 19002 7473 1 18 . 1 1 63 63 ALA C C 63 177.483 177.483 176.912 0.571 19002 7474 1 18 . 1 1 63 63 ALA CA C 63 52.915 52.915 51.896 1.019 19002 7475 1 18 . 1 1 63 63 ALA CB C 63 19.070 19.070 18.489 0.581 19002 7476 1 18 . 1 1 63 63 ALA H H 63 8.178 8.178 8.353 -0.175 19002 7477 1 18 . 1 1 64 64 ILE N N 64 118.941 118.941 120.381 -1.440 19002 7478 1 18 . 1 1 64 64 ILE HA H 64 4.076 4.076 4.206 -0.130 19002 7479 1 18 . 1 1 64 64 ILE C C 64 176.047 176.047 174.956 1.091 19002 7480 1 18 . 1 1 64 64 ILE CA C 64 61.342 61.342 60.908 0.434 19002 7481 1 18 . 1 1 64 64 ILE CB C 64 38.700 38.700 39.766 -1.066 19002 7482 1 18 . 1 1 64 64 ILE H H 64 7.872 7.872 8.024 -0.152 19002 7483 1 18 . 1 1 65 65 PHE N N 65 122.809 122.809 118.570 4.239 19002 7484 1 18 . 1 1 65 65 PHE HA H 65 4.615 4.615 5.002 -0.387 19002 7485 1 18 . 1 1 65 65 PHE C C 65 176.270 176.270 176.278 -0.008 19002 7486 1 18 . 1 1 65 65 PHE CA C 65 57.807 57.807 56.154 1.653 19002 7487 1 18 . 1 1 65 65 PHE CB C 65 39.827 39.827 39.436 0.391 19002 7488 1 18 . 1 1 65 65 PHE H H 65 8.188 8.188 7.450 0.738 19002 7489 1 18 . 1 1 66 66 GLY N N 66 110.278 110.278 113.925 -3.647 19002 7490 1 18 . 1 1 66 66 GLY C C 66 173.802 173.802 175.100 -1.298 19002 7491 1 18 . 1 1 66 66 GLY CA C 66 45.391 45.391 46.618 -1.227 19002 7492 1 18 . 1 1 66 66 GLY H H 66 8.213 8.213 8.772 -0.559 19002 7493 1 18 . 1 1 67 67 ASP N N 67 120.510 120.510 124.700 -4.190 19002 7494 1 18 . 1 1 67 67 ASP HA H 67 4.599 4.599 4.561 0.038 19002 7495 1 18 . 1 1 67 67 ASP C C 67 176.897 176.897 176.436 0.461 19002 7496 1 18 . 1 1 67 67 ASP CA C 67 54.425 54.425 54.700 -0.275 19002 7497 1 18 . 1 1 67 67 ASP CB C 67 41.265 41.265 40.959 0.306 19002 7498 1 18 . 1 1 67 67 ASP H H 67 8.254 8.254 8.405 -0.151 19002 7499 1 18 . 1 1 68 68 GLY N N 68 108.789 108.789 105.499 3.290 19002 7500 1 18 . 1 1 68 68 GLY C C 68 174.307 174.307 171.739 2.568 19002 7501 1 18 . 1 1 68 68 GLY CA C 68 46.020 46.020 45.049 0.971 19002 7502 1 18 . 1 1 68 68 GLY H H 68 8.342 8.342 7.902 0.440 19002 7503 1 18 . 1 1 69 69 PHE N N 69 119.903 119.903 116.710 3.193 19002 7504 1 18 . 1 1 69 69 PHE HA H 69 4.599 4.599 4.117 0.482 19002 7505 1 18 . 1 1 69 69 PHE C C 69 176.432 176.432 174.334 2.098 19002 7506 1 18 . 1 1 69 69 PHE CA C 69 58.146 58.146 56.003 2.143 19002 7507 1 18 . 1 1 69 69 PHE CB C 69 39.339 39.339 40.679 -1.340 19002 7508 1 18 . 1 1 69 69 PHE H H 69 8.178 8.178 7.409 0.769 19002 7509 1 18 . 1 1 70 70 GLY N N 70 110.089 110.089 109.131 0.958 19002 7510 1 18 . 1 1 70 70 GLY C C 70 174.227 174.227 173.189 1.038 19002 7511 1 18 . 1 1 70 70 GLY CA C 70 45.628 45.628 45.423 0.205 19002 7512 1 18 . 1 1 70 70 GLY H H 70 8.382 8.382 8.957 -0.575 19002 7513 1 18 . 1 1 71 71 LEU N N 71 121.600 121.600 119.333 2.267 19002 7514 1 18 . 1 1 71 71 LEU HA H 71 4.290 4.290 4.565 -0.275 19002 7515 1 18 . 1 1 71 71 LEU C C 71 177.645 177.645 176.197 1.448 19002 7516 1 18 . 1 1 71 71 LEU CA C 71 55.500 55.500 55.667 -0.167 19002 7517 1 18 . 1 1 71 71 LEU CB C 71 42.400 42.400 43.304 -0.904 19002 7518 1 18 . 1 1 71 71 LEU H H 71 8.069 8.069 8.260 -0.191 19002 7519 1 18 . 1 1 72 72 LYS N N 72 121.214 121.214 118.436 2.778 19002 7520 1 18 . 1 1 72 72 LYS HA H 72 4.283 4.283 4.529 -0.246 19002 7521 1 18 . 1 1 72 72 LYS C C 72 176.553 176.553 175.032 1.521 19002 7522 1 18 . 1 1 72 72 LYS CA C 72 56.594 56.594 55.981 0.613 19002 7523 1 18 . 1 1 72 72 LYS CB C 72 32.765 32.765 34.525 -1.760 19002 7524 1 18 . 1 1 72 72 LYS H H 72 8.372 8.372 7.926 0.447 19002 7525 1 18 . 1 1 73 73 ALA N N 73 124.187 124.187 123.990 0.197 19002 7526 1 18 . 1 1 73 73 ALA HA H 73 4.347 4.347 4.532 -0.185 19002 7527 1 18 . 1 1 73 73 ALA C C 73 178.009 178.009 176.834 1.175 19002 7528 1 18 . 1 1 73 73 ALA CA C 73 52.597 52.597 52.584 0.013 19002 7529 1 18 . 1 1 73 73 ALA CB C 73 19.239 19.239 19.610 -0.371 19002 7530 1 18 . 1 1 73 73 ALA H H 73 8.188 8.188 8.350 -0.162 19002 7531 1 18 . 1 1 74 74 THR N N 74 112.973 112.973 118.814 -5.841 19002 7532 1 18 . 1 1 74 74 THR HA H 74 4.339 4.339 4.362 -0.023 19002 7533 1 18 . 1 1 74 74 THR C C 74 174.753 174.753 173.914 0.839 19002 7534 1 18 . 1 1 74 74 THR CA C 74 62.046 62.046 62.681 -0.635 19002 7535 1 18 . 1 1 74 74 THR CB C 74 69.779 69.779 68.104 1.675 19002 7536 1 18 . 1 1 74 74 THR H H 74 8.054 8.054 8.144 -0.090 19002 7537 1 18 . 1 1 75 75 ARG N N 75 123.112 123.112 126.686 -3.574 19002 7538 1 18 . 1 1 75 75 ARG HA H 75 4.371 4.371 4.675 -0.304 19002 7539 1 18 . 1 1 75 75 ARG C C 75 176.411 176.411 175.899 0.512 19002 7540 1 18 . 1 1 75 75 ARG CA C 75 56.801 56.801 55.306 1.496 19002 7541 1 18 . 1 1 75 75 ARG CB C 75 30.798 30.798 29.317 1.481 19002 7542 1 18 . 1 1 75 75 ARG H H 75 8.296 8.296 8.163 0.133 19002 7543 1 18 . 1 1 76 76 ARG N N 76 121.977 121.977 120.786 1.191 19002 7544 1 18 . 1 1 76 76 ARG HA H 76 4.362 4.362 4.280 0.082 19002 7545 1 18 . 1 1 76 76 ARG C C 76 176.411 176.411 176.474 -0.063 19002 7546 1 18 . 1 1 76 76 ARG CA C 76 56.689 56.689 56.547 0.142 19002 7547 1 18 . 1 1 76 76 ARG CB C 76 30.873 30.873 30.476 0.397 19002 7548 1 18 . 1 1 76 76 ARG H H 76 8.360 8.360 8.541 -0.181 19002 7549 1 18 . 1 1 77 77 SER N N 77 116.981 116.981 114.626 2.355 19002 7550 1 18 . 1 1 77 77 SER HA H 77 4.483 4.483 4.674 -0.191 19002 7551 1 18 . 1 1 77 77 SER C C 77 174.672 174.672 174.615 0.057 19002 7552 1 18 . 1 1 77 77 SER CA C 77 58.497 58.497 57.521 0.976 19002 7553 1 18 . 1 1 77 77 SER CB C 77 63.839 63.839 64.477 -0.638 19002 7554 1 18 . 1 1 77 77 SER H H 77 8.325 8.325 7.977 0.348 19002 7555 1 18 . 1 1 78 78 ARG N N 78 123.324 123.324 123.860 -0.536 19002 7556 1 18 . 1 1 78 78 ARG HA H 78 4.377 4.377 4.424 -0.047 19002 7557 1 18 . 1 1 78 78 ARG C C 78 176.492 176.492 176.963 -0.471 19002 7558 1 18 . 1 1 78 78 ARG CA C 78 56.619 56.619 57.376 -0.757 19002 7559 1 18 . 1 1 78 78 ARG CB C 78 30.873 30.873 30.348 0.525 19002 7560 1 18 . 1 1 78 78 ARG H H 78 8.421 8.421 8.811 -0.390 19002 7561 1 18 . 1 1 79 79 LYS N N 79 122.352 122.352 117.205 5.147 19002 7562 1 18 . 1 1 79 79 LYS HA H 79 4.266 4.266 4.461 -0.195 19002 7563 1 18 . 1 1 79 79 LYS C C 79 176.472 176.472 176.297 0.175 19002 7564 1 18 . 1 1 79 79 LYS CA C 79 57.076 57.076 56.209 0.867 19002 7565 1 18 . 1 1 79 79 LYS CB C 79 33.186 33.186 33.207 -0.021 19002 7566 1 18 . 1 1 79 79 LYS H H 79 8.300 8.300 7.782 0.518 19002 7567 1 18 . 1 1 80 80 ALA N N 80 124.816 124.816 125.859 -1.043 19002 7568 1 18 . 1 1 80 80 ALA HA H 80 4.308 4.308 4.420 -0.112 19002 7569 1 18 . 1 1 80 80 ALA C C 80 177.787 177.787 175.733 2.054 19002 7570 1 18 . 1 1 80 80 ALA CA C 80 52.597 52.597 51.863 0.734 19002 7571 1 18 . 1 1 80 80 ALA CB C 80 19.180 19.180 17.003 2.177 19002 7572 1 18 . 1 1 80 80 ALA H H 80 8.269 8.269 8.303 -0.034 19002 7573 1 18 . 1 1 81 81 GLU N N 81 120.243 120.243 120.239 0.004 19002 7574 1 18 . 1 1 81 81 GLU HA H 81 4.278 4.278 4.579 -0.301 19002 7575 1 18 . 1 1 81 81 GLU C C 81 176.614 176.614 175.653 0.961 19002 7576 1 18 . 1 1 81 81 GLU CA C 81 56.893 56.893 56.021 0.872 19002 7577 1 18 . 1 1 81 81 GLU CB C 81 30.374 30.374 32.069 -1.695 19002 7578 1 18 . 1 1 81 81 GLU H H 81 8.283 8.283 7.946 0.337 19002 7579 1 18 . 1 1 82 82 ARG N N 82 121.743 121.743 125.294 -3.551 19002 7580 1 18 . 1 1 82 82 ARG HA H 82 4.378 4.378 4.458 -0.080 19002 7581 1 18 . 1 1 82 82 ARG C C 82 175.946 175.946 174.818 1.128 19002 7582 1 18 . 1 1 82 82 ARG CA C 82 56.047 56.047 56.271 -0.224 19002 7583 1 18 . 1 1 82 82 ARG CB C 82 30.757 30.757 29.867 0.890 19002 7584 1 18 . 1 1 82 82 ARG H H 82 8.256 8.256 8.524 -0.269 19002 7585 1 18 . 1 1 83 83 ALA N N 83 125.049 125.049 123.562 1.487 19002 7586 1 18 . 1 1 83 83 ALA HA H 83 4.313 4.313 4.530 -0.217 19002 7587 1 18 . 1 1 83 83 ALA C C 83 177.322 177.322 177.276 0.046 19002 7588 1 18 . 1 1 83 83 ALA CA C 83 52.872 52.872 52.470 0.402 19002 7589 1 18 . 1 1 83 83 ALA CB C 83 19.239 19.239 20.317 -1.078 19002 7590 1 18 . 1 1 83 83 ALA H H 83 8.241 8.241 8.103 0.138 19002 7591 1 18 . 1 1 84 84 LYS N N 84 121.088 121.088 121.489 -0.401 19002 7592 1 18 . 1 1 84 84 LYS HA H 84 4.286 4.286 4.610 -0.324 19002 7593 1 18 . 1 1 84 84 LYS C C 84 175.460 175.460 175.000 0.460 19002 7594 1 18 . 1 1 84 84 LYS CA C 84 56.316 56.316 56.119 0.197 19002 7595 1 18 . 1 1 84 84 LYS CB C 84 32.923 32.923 30.563 2.360 19002 7596 1 18 . 1 1 84 84 LYS H H 84 8.186 8.186 8.508 -0.322 19002 7597 1 19 . 1 1 12 12 ARG N N 12 121.400 121.400 121.696 -0.296 19002 7598 1 19 . 1 1 12 12 ARG HA H 12 4.640 4.640 4.681 -0.041 19002 7599 1 19 . 1 1 12 12 ARG C C 12 174.242 174.242 173.894 0.348 19002 7600 1 19 . 1 1 12 12 ARG CA C 12 53.900 53.900 54.502 -0.602 19002 7601 1 19 . 1 1 12 12 ARG CB C 12 30.400 30.400 31.631 -1.231 19002 7602 1 19 . 1 1 12 12 ARG H H 12 8.140 8.140 8.294 -0.154 19002 7603 1 19 . 1 1 13 13 PRO HA H 13 4.457 4.457 4.771 -0.314 19002 7604 1 19 . 1 1 13 13 PRO C C 13 177.524 177.524 176.325 1.199 19002 7605 1 19 . 1 1 13 13 PRO CA C 13 63.259 63.259 62.792 0.467 19002 7606 1 19 . 1 1 13 13 PRO CB C 13 32.067 32.067 30.673 1.394 19002 7607 1 19 . 1 1 14 14 GLY N N 14 109.192 109.192 109.371 -0.179 19002 7608 1 19 . 1 1 14 14 GLY C C 14 174.227 174.227 175.412 -1.185 19002 7609 1 19 . 1 1 14 14 GLY CA C 14 45.497 45.497 45.113 0.384 19002 7610 1 19 . 1 1 14 14 GLY H H 14 8.467 8.467 8.307 0.160 19002 7611 1 19 . 1 1 15 15 VAL N N 15 119.157 119.157 116.859 2.298 19002 7612 1 19 . 1 1 15 15 VAL HA H 15 4.081 4.081 3.999 0.082 19002 7613 1 19 . 1 1 15 15 VAL C C 15 175.986 175.986 175.650 0.336 19002 7614 1 19 . 1 1 15 15 VAL CA C 15 62.529 62.529 64.188 -1.659 19002 7615 1 19 . 1 1 15 15 VAL CB C 15 32.491 32.491 31.896 0.595 19002 7616 1 19 . 1 1 15 15 VAL H H 15 7.837 7.837 7.769 0.068 19002 7617 1 19 . 1 1 16 16 PHE N N 16 123.110 123.110 118.649 4.461 19002 7618 1 19 . 1 1 16 16 PHE HA H 16 4.614 4.614 4.583 0.031 19002 7619 1 19 . 1 1 16 16 PHE C C 16 175.804 175.804 173.137 2.667 19002 7620 1 19 . 1 1 16 16 PHE CA C 16 58.398 58.398 57.288 1.111 19002 7621 1 19 . 1 1 16 16 PHE CB C 16 39.475 39.475 41.652 -2.177 19002 7622 1 19 . 1 1 16 16 PHE H H 16 8.265 8.265 7.742 0.523 19002 7623 1 19 . 1 1 17 17 ARG N N 17 122.074 122.074 123.499 -1.425 19002 7624 1 19 . 1 1 17 17 ARG HA H 17 4.323 4.323 4.539 -0.216 19002 7625 1 19 . 1 1 17 17 ARG C C 17 176.452 176.452 175.254 1.198 19002 7626 1 19 . 1 1 17 17 ARG CA C 17 56.710 56.710 53.887 2.823 19002 7627 1 19 . 1 1 17 17 ARG CB C 17 30.937 30.937 31.730 -0.793 19002 7628 1 19 . 1 1 17 17 ARG H H 17 8.155 8.155 7.619 0.536 19002 7629 1 19 . 1 1 18 18 THR N N 18 114.223 114.223 113.957 0.266 19002 7630 1 19 . 1 1 18 18 THR HA H 18 4.231 4.231 4.163 0.068 19002 7631 1 19 . 1 1 18 18 THR C C 18 174.348 174.348 175.460 -1.112 19002 7632 1 19 . 1 1 18 18 THR CA C 18 62.410 62.410 62.569 -0.159 19002 7633 1 19 . 1 1 18 18 THR CB C 18 69.509 69.509 68.877 0.632 19002 7634 1 19 . 1 1 18 18 THR H H 18 8.015 8.015 8.150 -0.135 19002 7635 1 19 . 1 1 19 19 ARG N N 19 120.957 120.957 125.475 -4.518 19002 7636 1 19 . 1 1 19 19 ARG HA H 19 4.323 4.323 4.247 0.076 19002 7637 1 19 . 1 1 19 19 ARG C C 19 175.986 175.986 176.296 -0.310 19002 7638 1 19 . 1 1 19 19 ARG CA C 19 56.093 56.093 55.225 0.868 19002 7639 1 19 . 1 1 19 19 ARG CB C 19 30.480 30.480 28.058 2.422 19002 7640 1 19 . 1 1 19 19 ARG H H 19 8.080 8.080 8.715 -0.635 19002 7641 1 19 . 1 1 20 20 GLY N N 20 107.963 107.963 107.868 0.095 19002 7642 1 19 . 1 1 20 20 GLY C C 20 173.802 173.802 173.811 -0.009 19002 7643 1 19 . 1 1 20 20 GLY CA C 20 45.273 45.273 44.953 0.320 19002 7644 1 19 . 1 1 20 20 GLY H H 20 8.241 8.241 7.900 0.341 19002 7645 1 19 . 1 1 21 21 LEU N N 21 121.181 121.181 121.693 -0.512 19002 7646 1 19 . 1 1 21 21 LEU HA H 21 4.770 4.770 4.529 0.241 19002 7647 1 19 . 1 1 21 21 LEU C C 21 178.414 178.414 177.481 0.933 19002 7648 1 19 . 1 1 21 21 LEU CA C 21 54.677 54.677 54.737 -0.060 19002 7649 1 19 . 1 1 21 21 LEU CB C 21 43.142 43.142 43.198 -0.056 19002 7650 1 19 . 1 1 21 21 LEU H H 21 7.967 7.967 7.778 0.189 19002 7651 1 19 . 1 1 22 22 THR N N 22 114.494 114.494 117.546 -3.052 19002 7652 1 19 . 1 1 22 22 THR HA H 22 4.558 4.558 4.358 0.200 19002 7653 1 19 . 1 1 22 22 THR C C 22 175.359 175.359 175.245 0.114 19002 7654 1 19 . 1 1 22 22 THR CA C 22 61.316 61.316 61.302 0.014 19002 7655 1 19 . 1 1 22 22 THR CB C 22 71.015 71.015 70.476 0.539 19002 7656 1 19 . 1 1 22 22 THR H H 22 9.075 9.075 9.418 -0.343 19002 7657 1 19 . 1 1 23 23 ASP N N 23 121.204 121.204 121.904 -0.700 19002 7658 1 19 . 1 1 23 23 ASP HA H 23 4.485 4.485 4.328 0.157 19002 7659 1 19 . 1 1 23 23 ASP C C 23 178.697 178.697 178.195 0.502 19002 7660 1 19 . 1 1 23 23 ASP CA C 23 58.315 58.315 58.587 -0.272 19002 7661 1 19 . 1 1 23 23 ASP CB C 23 39.931 39.931 40.905 -0.974 19002 7662 1 19 . 1 1 23 23 ASP H H 23 8.943 8.943 8.892 0.051 19002 7663 1 19 . 1 1 24 24 GLU N N 24 119.241 119.241 117.776 1.465 19002 7664 1 19 . 1 1 24 24 GLU HA H 24 4.199 4.199 4.121 0.078 19002 7665 1 19 . 1 1 24 24 GLU C C 24 179.911 179.911 179.311 0.600 19002 7666 1 19 . 1 1 24 24 GLU CA C 24 59.973 59.973 59.786 0.187 19002 7667 1 19 . 1 1 24 24 GLU CB C 24 29.306 29.306 29.189 0.117 19002 7668 1 19 . 1 1 24 24 GLU H H 24 8.741 8.741 8.900 -0.159 19002 7669 1 19 . 1 1 25 25 GLU N N 25 121.151 121.151 120.698 0.453 19002 7670 1 19 . 1 1 25 25 GLU HA H 25 4.200 4.200 4.222 -0.022 19002 7671 1 19 . 1 1 25 25 GLU C C 25 178.394 178.394 179.133 -0.739 19002 7672 1 19 . 1 1 25 25 GLU CA C 25 59.178 59.178 59.239 -0.060 19002 7673 1 19 . 1 1 25 25 GLU CB C 25 30.873 30.873 29.857 1.016 19002 7674 1 19 . 1 1 25 25 GLU H H 25 7.801 7.801 7.736 0.065 19002 7675 1 19 . 1 1 26 26 TYR N N 26 120.692 120.692 120.948 -0.256 19002 7676 1 19 . 1 1 26 26 TYR HA H 26 4.184 4.184 4.105 0.079 19002 7677 1 19 . 1 1 26 26 TYR C C 26 177.483 177.483 177.445 0.038 19002 7678 1 19 . 1 1 26 26 TYR CA C 26 61.924 61.924 61.167 0.757 19002 7679 1 19 . 1 1 26 26 TYR CB C 26 37.837 37.837 38.669 -0.832 19002 7680 1 19 . 1 1 26 26 TYR H H 26 8.897 8.897 8.807 0.090 19002 7681 1 19 . 1 1 27 27 ASP N N 27 118.898 118.898 119.756 -0.858 19002 7682 1 19 . 1 1 27 27 ASP HA H 27 4.338 4.338 4.143 0.195 19002 7683 1 19 . 1 1 27 27 ASP C C 27 178.535 178.535 177.858 0.677 19002 7684 1 19 . 1 1 27 27 ASP CA C 27 57.864 57.864 58.218 -0.354 19002 7685 1 19 . 1 1 27 27 ASP CB C 27 40.797 40.797 40.822 -0.025 19002 7686 1 19 . 1 1 27 27 ASP H H 27 8.135 8.135 8.768 -0.633 19002 7687 1 19 . 1 1 28 28 GLU N N 28 121.020 121.020 120.227 0.793 19002 7688 1 19 . 1 1 28 28 GLU HA H 28 4.101 4.101 4.001 0.100 19002 7689 1 19 . 1 1 28 28 GLU C C 28 178.394 178.394 178.567 -0.173 19002 7690 1 19 . 1 1 28 28 GLU CA C 28 59.450 59.450 59.340 0.110 19002 7691 1 19 . 1 1 28 28 GLU CB C 28 29.231 29.231 29.713 -0.482 19002 7692 1 19 . 1 1 28 28 GLU H H 28 7.655 7.655 8.061 -0.406 19002 7693 1 19 . 1 1 29 29 PHE N N 29 121.567 121.567 120.814 0.753 19002 7694 1 19 . 1 1 29 29 PHE HA H 29 3.765 3.765 3.931 -0.166 19002 7695 1 19 . 1 1 29 29 PHE C C 29 176.169 176.169 177.108 -0.939 19002 7696 1 19 . 1 1 29 29 PHE CA C 29 61.371 61.371 60.905 0.466 19002 7697 1 19 . 1 1 29 29 PHE CB C 29 37.588 37.588 38.436 -0.848 19002 7698 1 19 . 1 1 29 29 PHE H H 29 8.471 8.471 8.464 0.007 19002 7699 1 19 . 1 1 30 30 LYS N N 30 118.916 118.916 119.434 -0.518 19002 7700 1 19 . 1 1 30 30 LYS HA H 30 3.137 3.137 3.356 -0.219 19002 7701 1 19 . 1 1 30 30 LYS C C 30 179.445 179.445 178.808 0.637 19002 7702 1 19 . 1 1 30 30 LYS CA C 30 60.346 60.346 59.992 0.354 19002 7703 1 19 . 1 1 30 30 LYS CB C 30 31.992 31.992 31.935 0.057 19002 7704 1 19 . 1 1 30 30 LYS H H 30 8.287 8.287 8.244 0.043 19002 7705 1 19 . 1 1 31 31 LYS N N 31 120.113 120.113 119.379 0.734 19002 7706 1 19 . 1 1 31 31 LYS HA H 31 4.018 4.018 3.853 0.165 19002 7707 1 19 . 1 1 31 31 LYS C C 31 179.918 179.918 179.220 0.698 19002 7708 1 19 . 1 1 31 31 LYS CA C 31 59.700 59.700 59.639 0.061 19002 7709 1 19 . 1 1 31 31 LYS CB C 31 32.300 32.300 32.207 0.093 19002 7710 1 19 . 1 1 31 31 LYS H H 31 7.690 7.690 8.228 -0.538 19002 7711 1 19 . 1 1 32 32 ARG N N 32 121.200 121.200 119.017 2.183 19002 7712 1 19 . 1 1 32 32 ARG HA H 32 3.893 3.893 3.805 0.088 19002 7713 1 19 . 1 1 32 32 ARG C C 32 178.990 178.990 178.406 0.584 19002 7714 1 19 . 1 1 32 32 ARG CA C 32 59.452 59.452 59.361 0.091 19002 7715 1 19 . 1 1 32 32 ARG CB C 32 31.284 31.284 29.999 1.285 19002 7716 1 19 . 1 1 32 32 ARG H H 32 8.299 8.299 8.405 -0.106 19002 7717 1 19 . 1 1 33 33 ARG N N 33 120.223 120.223 119.537 0.686 19002 7718 1 19 . 1 1 33 33 ARG HA H 33 3.698 3.698 3.945 -0.247 19002 7719 1 19 . 1 1 33 33 ARG C C 33 178.697 178.697 177.972 0.725 19002 7720 1 19 . 1 1 33 33 ARG CA C 33 59.607 59.607 59.286 0.321 19002 7721 1 19 . 1 1 33 33 ARG CB C 33 29.570 29.570 29.772 -0.202 19002 7722 1 19 . 1 1 33 33 ARG H H 33 8.704 8.704 8.401 0.303 19002 7723 1 19 . 1 1 34 34 GLU N N 34 119.860 119.860 119.350 0.510 19002 7724 1 19 . 1 1 34 34 GLU HA H 34 4.046 4.046 3.967 0.079 19002 7725 1 19 . 1 1 34 34 GLU C C 34 179.850 179.850 179.431 0.419 19002 7726 1 19 . 1 1 34 34 GLU CA C 34 59.210 59.210 59.473 -0.263 19002 7727 1 19 . 1 1 34 34 GLU CB C 34 29.380 29.380 29.320 0.060 19002 7728 1 19 . 1 1 34 34 GLU H H 34 7.941 7.941 8.506 -0.565 19002 7729 1 19 . 1 1 35 35 SER N N 35 115.261 115.261 116.318 -1.057 19002 7730 1 19 . 1 1 35 35 SER HA H 35 4.378 4.378 4.205 0.173 19002 7731 1 19 . 1 1 35 35 SER C C 35 175.339 175.339 176.294 -0.955 19002 7732 1 19 . 1 1 35 35 SER CA C 35 60.068 60.068 61.170 -1.102 19002 7733 1 19 . 1 1 35 35 SER CB C 35 63.321 63.321 63.039 0.282 19002 7734 1 19 . 1 1 35 35 SER H H 35 7.813 7.813 7.877 -0.064 19002 7735 1 19 . 1 1 36 36 ARG N N 36 119.557 119.557 119.394 0.163 19002 7736 1 19 . 1 1 36 36 ARG HA H 36 4.439 4.439 4.415 0.024 19002 7737 1 19 . 1 1 36 36 ARG C C 36 177.524 177.524 175.992 1.532 19002 7738 1 19 . 1 1 36 36 ARG CA C 36 55.794 55.794 54.815 0.979 19002 7739 1 19 . 1 1 36 36 ARG CB C 36 30.276 30.276 29.923 0.353 19002 7740 1 19 . 1 1 36 36 ARG H H 36 7.459 7.459 7.468 -0.009 19002 7741 1 19 . 1 1 37 37 GLY N N 37 109.722 109.722 106.408 3.314 19002 7742 1 19 . 1 1 37 37 GLY C C 37 175.117 175.117 175.288 -0.171 19002 7743 1 19 . 1 1 37 37 GLY CA C 37 46.691 46.691 45.582 1.109 19002 7744 1 19 . 1 1 37 37 GLY H H 37 7.981 7.981 7.861 0.120 19002 7745 1 19 . 1 1 38 38 GLY N N 38 104.904 104.904 106.575 -1.671 19002 7746 1 19 . 1 1 38 38 GLY C C 38 174.489 174.489 175.064 -0.575 19002 7747 1 19 . 1 1 38 38 GLY CA C 38 45.012 45.012 44.967 0.045 19002 7748 1 19 . 1 1 38 38 GLY H H 38 8.271 8.271 8.645 -0.374 19002 7749 1 19 . 1 1 39 39 LYS N N 39 122.169 122.169 123.316 -1.147 19002 7750 1 19 . 1 1 39 39 LYS HA H 39 4.515 4.515 4.421 0.094 19002 7751 1 19 . 1 1 39 39 LYS C C 39 174.995 174.995 175.212 -0.217 19002 7752 1 19 . 1 1 39 39 LYS CA C 39 55.622 55.622 55.937 -0.315 19002 7753 1 19 . 1 1 39 39 LYS CB C 39 30.846 30.846 31.472 -0.626 19002 7754 1 19 . 1 1 39 39 LYS H H 39 7.471 7.471 7.574 -0.103 19002 7755 1 19 . 1 1 40 40 TYR N N 40 123.749 123.749 124.129 -0.380 19002 7756 1 19 . 1 1 40 40 TYR HA H 40 4.893 4.893 4.598 0.295 19002 7757 1 19 . 1 1 40 40 TYR C C 40 173.883 173.883 173.601 0.282 19002 7758 1 19 . 1 1 40 40 TYR CA C 40 58.629 58.629 57.319 1.310 19002 7759 1 19 . 1 1 40 40 TYR CB C 40 40.871 40.871 39.991 0.880 19002 7760 1 19 . 1 1 40 40 TYR H H 40 7.687 7.687 8.188 -0.501 19002 7761 1 19 . 1 1 41 41 SER N N 41 124.561 124.561 120.527 4.034 19002 7762 1 19 . 1 1 41 41 SER HA H 41 5.061 5.061 4.642 0.419 19002 7763 1 19 . 1 1 41 41 SER C C 41 175.258 175.258 175.054 0.204 19002 7764 1 19 . 1 1 41 41 SER CA C 41 56.913 56.913 57.434 -0.522 19002 7765 1 19 . 1 1 41 41 SER CB C 41 67.136 67.136 64.282 2.854 19002 7766 1 19 . 1 1 41 41 SER H H 41 9.246 9.246 8.527 0.719 19002 7767 1 19 . 1 1 42 42 ILE N N 42 122.298 122.298 121.721 0.577 19002 7768 1 19 . 1 1 42 42 ILE HA H 42 3.384 3.384 3.292 0.092 19002 7769 1 19 . 1 1 42 42 ILE C C 42 176.573 176.573 177.010 -0.437 19002 7770 1 19 . 1 1 42 42 ILE CA C 42 63.317 63.317 64.099 -0.782 19002 7771 1 19 . 1 1 42 42 ILE CB C 42 37.290 37.290 38.033 -0.743 19002 7772 1 19 . 1 1 42 42 ILE H H 42 8.848 8.848 9.019 -0.171 19002 7773 1 19 . 1 1 43 43 ASP N N 43 118.987 118.987 120.001 -1.014 19002 7774 1 19 . 1 1 43 43 ASP HA H 43 4.317 4.317 4.284 0.033 19002 7775 1 19 . 1 1 43 43 ASP C C 43 178.940 178.940 177.993 0.947 19002 7776 1 19 . 1 1 43 43 ASP CA C 43 57.809 57.809 58.855 -1.046 19002 7777 1 19 . 1 1 43 43 ASP CB C 43 40.722 40.722 39.813 0.909 19002 7778 1 19 . 1 1 43 43 ASP H H 43 7.673 7.673 8.785 -1.112 19002 7779 1 19 . 1 1 44 44 ASP N N 44 121.961 121.961 119.439 2.522 19002 7780 1 19 . 1 1 44 44 ASP HA H 44 4.259 4.259 4.343 -0.084 19002 7781 1 19 . 1 1 44 44 ASP C C 44 177.564 177.564 178.384 -0.820 19002 7782 1 19 . 1 1 44 44 ASP CA C 44 57.624 57.624 57.296 0.328 19002 7783 1 19 . 1 1 44 44 ASP CB C 44 41.244 41.244 40.162 1.082 19002 7784 1 19 . 1 1 44 44 ASP H H 44 7.610 7.610 8.462 -0.852 19002 7785 1 19 . 1 1 45 45 TYR N N 45 121.352 121.352 121.494 -0.142 19002 7786 1 19 . 1 1 45 45 TYR HA H 45 4.676 4.676 4.507 0.169 19002 7787 1 19 . 1 1 45 45 TYR C C 45 177.362 177.362 177.796 -0.434 19002 7788 1 19 . 1 1 45 45 TYR CA C 45 60.703 60.703 61.057 -0.354 19002 7789 1 19 . 1 1 45 45 TYR CB C 45 38.747 38.747 38.955 -0.208 19002 7790 1 19 . 1 1 45 45 TYR H H 45 7.750 7.750 7.269 0.481 19002 7791 1 19 . 1 1 46 46 LEU N N 46 118.650 118.650 119.827 -1.177 19002 7792 1 19 . 1 1 46 46 LEU HA H 46 3.697 3.697 3.787 -0.090 19002 7793 1 19 . 1 1 46 46 LEU C C 46 179.850 179.850 178.740 1.110 19002 7794 1 19 . 1 1 46 46 LEU CA C 46 57.807 57.807 57.695 0.112 19002 7795 1 19 . 1 1 46 46 LEU CB C 46 41.205 41.205 41.417 -0.212 19002 7796 1 19 . 1 1 46 46 LEU H H 46 8.544 8.544 8.755 -0.211 19002 7797 1 19 . 1 1 47 47 ALA N N 47 121.991 121.991 121.052 0.939 19002 7798 1 19 . 1 1 47 47 ALA HA H 47 4.190 4.190 3.911 0.279 19002 7799 1 19 . 1 1 47 47 ALA C C 47 180.457 180.457 179.401 1.056 19002 7800 1 19 . 1 1 47 47 ALA CA C 47 55.048 55.048 55.195 -0.147 19002 7801 1 19 . 1 1 47 47 ALA CB C 47 18.337 18.337 18.066 0.272 19002 7802 1 19 . 1 1 47 47 ALA H H 47 7.716 7.716 8.413 -0.697 19002 7803 1 19 . 1 1 48 48 ASP N N 48 120.788 120.788 118.459 2.329 19002 7804 1 19 . 1 1 48 48 ASP HA H 48 4.505 4.505 4.419 0.086 19002 7805 1 19 . 1 1 48 48 ASP C C 48 178.596 178.596 178.056 0.540 19002 7806 1 19 . 1 1 48 48 ASP CA C 48 57.361 57.361 56.395 0.966 19002 7807 1 19 . 1 1 48 48 ASP CB C 48 40.076 40.076 41.195 -1.119 19002 7808 1 19 . 1 1 48 48 ASP H H 48 8.316 8.316 7.456 0.860 19002 7809 1 19 . 1 1 49 49 ARG N N 49 120.274 120.274 120.668 -0.394 19002 7810 1 19 . 1 1 49 49 ARG HA H 49 3.952 3.952 3.990 -0.038 19002 7811 1 19 . 1 1 49 49 ARG C C 49 178.454 178.454 178.492 -0.038 19002 7812 1 19 . 1 1 49 49 ARG CA C 49 58.133 58.133 58.743 -0.610 19002 7813 1 19 . 1 1 49 49 ARG CB C 49 29.231 29.231 30.001 -0.770 19002 7814 1 19 . 1 1 49 49 ARG H H 49 8.459 8.459 8.122 0.337 19002 7815 1 19 . 1 1 50 50 GLU N N 50 118.834 118.834 116.291 2.543 19002 7816 1 19 . 1 1 50 50 GLU HA H 50 4.101 4.101 4.077 0.024 19002 7817 1 19 . 1 1 50 50 GLU C C 50 178.353 178.353 178.559 -0.206 19002 7818 1 19 . 1 1 50 50 GLU CA C 50 58.928 58.928 58.797 0.131 19002 7819 1 19 . 1 1 50 50 GLU CB C 50 29.530 29.530 29.201 0.329 19002 7820 1 19 . 1 1 50 50 GLU H H 50 7.734 7.734 8.309 -0.575 19002 7821 1 19 . 1 1 51 51 ARG N N 51 119.239 119.239 117.213 2.026 19002 7822 1 19 . 1 1 51 51 ARG HA H 51 4.240 4.240 4.243 -0.003 19002 7823 1 19 . 1 1 51 51 ARG C C 51 178.370 178.370 178.824 -0.454 19002 7824 1 19 . 1 1 51 51 ARG CA C 51 58.105 58.105 58.248 -0.143 19002 7825 1 19 . 1 1 51 51 ARG CB C 51 30.649 30.649 30.590 0.059 19002 7826 1 19 . 1 1 51 51 ARG H H 51 7.694 7.694 7.398 0.296 19002 7827 1 19 . 1 1 52 52 GLU N N 52 119.667 119.667 120.201 -0.534 19002 7828 1 19 . 1 1 52 52 GLU HA H 52 4.099 4.099 4.017 0.082 19002 7829 1 19 . 1 1 52 52 GLU C C 52 178.370 178.370 178.424 -0.054 19002 7830 1 19 . 1 1 52 52 GLU CA C 52 58.538 58.538 59.557 -1.019 19002 7831 1 19 . 1 1 52 52 GLU CB C 52 29.661 29.661 29.039 0.622 19002 7832 1 19 . 1 1 52 52 GLU H H 52 8.299 8.299 8.196 0.103 19002 7833 1 19 . 1 1 53 53 GLU N N 53 119.152 119.152 118.125 1.027 19002 7834 1 19 . 1 1 53 53 GLU HA H 53 4.210 4.210 3.997 0.213 19002 7835 1 19 . 1 1 53 53 GLU C C 53 177.740 177.740 178.765 -1.025 19002 7836 1 19 . 1 1 53 53 GLU CA C 53 58.172 58.172 59.355 -1.183 19002 7837 1 19 . 1 1 53 53 GLU CB C 53 29.530 29.530 29.358 0.172 19002 7838 1 19 . 1 1 53 53 GLU H H 53 8.098 8.098 7.821 0.277 19002 7839 1 19 . 1 1 54 54 GLU N N 54 120.097 120.097 117.503 2.594 19002 7840 1 19 . 1 1 54 54 GLU HA H 54 4.212 4.212 4.214 -0.002 19002 7841 1 19 . 1 1 54 54 GLU C C 54 177.443 177.443 177.891 -0.448 19002 7842 1 19 . 1 1 54 54 GLU CA C 54 58.081 58.081 58.391 -0.310 19002 7843 1 19 . 1 1 54 54 GLU CB C 54 29.788 29.788 29.756 0.032 19002 7844 1 19 . 1 1 54 54 GLU H H 54 7.968 7.968 7.873 0.095 19002 7845 1 19 . 1 1 55 55 LEU N N 55 120.563 120.563 119.418 1.145 19002 7846 1 19 . 1 1 55 55 LEU HA H 55 4.288 4.288 4.244 0.044 19002 7847 1 19 . 1 1 55 55 LEU C C 55 177.735 177.735 178.535 -0.800 19002 7848 1 19 . 1 1 55 55 LEU CA C 55 56.070 56.070 56.834 -0.764 19002 7849 1 19 . 1 1 55 55 LEU CB C 55 42.062 42.062 42.153 -0.090 19002 7850 1 19 . 1 1 55 55 LEU H H 55 7.905 7.905 7.089 0.816 19002 7851 1 19 . 1 1 56 56 LEU N N 56 121.250 121.250 118.659 2.591 19002 7852 1 19 . 1 1 56 56 LEU HA H 56 4.312 4.312 4.111 0.201 19002 7853 1 19 . 1 1 56 56 LEU C C 56 177.726 177.726 177.126 0.600 19002 7854 1 19 . 1 1 56 56 LEU CA C 56 55.979 55.979 57.175 -1.196 19002 7855 1 19 . 1 1 56 56 LEU CB C 56 42.635 42.635 42.456 0.179 19002 7856 1 19 . 1 1 56 56 LEU H H 56 7.859 7.859 8.439 -0.580 19002 7857 1 19 . 1 1 57 57 GLU N N 57 120.632 120.632 119.042 1.590 19002 7858 1 19 . 1 1 57 57 GLU HA H 57 4.283 4.283 4.442 -0.159 19002 7859 1 19 . 1 1 57 57 GLU C C 57 176.553 176.553 175.415 1.138 19002 7860 1 19 . 1 1 57 57 GLU CA C 57 57.076 57.076 55.446 1.630 19002 7861 1 19 . 1 1 57 57 GLU CB C 57 30.052 30.052 30.863 -0.811 19002 7862 1 19 . 1 1 57 57 GLU H H 57 8.153 8.153 7.683 0.470 19002 7863 1 19 . 1 1 58 58 ARG N N 58 121.282 121.282 125.211 -3.929 19002 7864 1 19 . 1 1 58 58 ARG HA H 58 4.372 4.372 4.600 -0.228 19002 7865 1 19 . 1 1 58 58 ARG C C 58 176.169 176.169 176.223 -0.054 19002 7866 1 19 . 1 1 58 58 ARG CA C 58 56.344 56.344 55.952 0.392 19002 7867 1 19 . 1 1 58 58 ARG CB C 58 31.102 31.102 32.105 -1.003 19002 7868 1 19 . 1 1 58 58 ARG H H 58 8.146 8.146 8.566 -0.420 19002 7869 1 19 . 1 1 59 59 ASP N N 59 121.619 121.619 126.980 -5.361 19002 7870 1 19 . 1 1 59 59 ASP HA H 59 4.639 4.639 4.739 -0.101 19002 7871 1 19 . 1 1 59 59 ASP C C 59 176.553 176.553 177.141 -0.588 19002 7872 1 19 . 1 1 59 59 ASP CA C 59 54.768 54.768 56.909 -2.141 19002 7873 1 19 . 1 1 59 59 ASP CB C 59 41.256 41.256 40.617 0.638 19002 7874 1 19 . 1 1 59 59 ASP H H 59 8.386 8.386 8.923 -0.537 19002 7875 1 19 . 1 1 60 60 GLU N N 60 121.214 121.214 116.527 4.687 19002 7876 1 19 . 1 1 60 60 GLU HA H 60 4.273 4.273 4.081 0.192 19002 7877 1 19 . 1 1 60 60 GLU C C 60 176.876 176.876 177.502 -0.626 19002 7878 1 19 . 1 1 60 60 GLU CA C 60 57.361 57.361 57.798 -0.437 19002 7879 1 19 . 1 1 60 60 GLU CB C 60 30.425 30.425 29.133 1.292 19002 7880 1 19 . 1 1 60 60 GLU H H 60 8.372 8.372 8.513 -0.141 19002 7881 1 19 . 1 1 61 61 GLU N N 61 121.077 121.077 120.051 1.026 19002 7882 1 19 . 1 1 61 61 GLU HA H 61 4.210 4.210 4.156 0.054 19002 7883 1 19 . 1 1 61 61 GLU C C 61 176.832 176.832 177.425 -0.593 19002 7884 1 19 . 1 1 61 61 GLU CA C 61 57.734 57.734 59.048 -1.314 19002 7885 1 19 . 1 1 61 61 GLU CB C 61 30.425 30.425 30.193 0.232 19002 7886 1 19 . 1 1 61 61 GLU H H 61 8.384 8.384 7.942 0.442 19002 7887 1 19 . 1 1 62 62 GLU N N 62 121.155 121.155 116.469 4.686 19002 7888 1 19 . 1 1 62 62 GLU HA H 62 4.249 4.249 4.585 -0.336 19002 7889 1 19 . 1 1 62 62 GLU C C 62 176.432 176.432 175.278 1.154 19002 7890 1 19 . 1 1 62 62 GLU CA C 62 57.137 57.137 56.760 0.377 19002 7891 1 19 . 1 1 62 62 GLU CB C 62 30.425 30.425 31.862 -1.437 19002 7892 1 19 . 1 1 62 62 GLU H H 62 8.300 8.300 8.072 0.228 19002 7893 1 19 . 1 1 63 63 ALA N N 63 124.607 124.607 120.413 4.194 19002 7894 1 19 . 1 1 63 63 ALA HA H 63 4.293 4.293 4.478 -0.185 19002 7895 1 19 . 1 1 63 63 ALA C C 63 177.483 177.483 176.917 0.566 19002 7896 1 19 . 1 1 63 63 ALA CA C 63 52.915 52.915 51.551 1.364 19002 7897 1 19 . 1 1 63 63 ALA CB C 63 19.070 19.070 19.165 -0.095 19002 7898 1 19 . 1 1 63 63 ALA H H 63 8.178 8.178 8.193 -0.015 19002 7899 1 19 . 1 1 64 64 ILE N N 64 118.941 118.941 122.436 -3.495 19002 7900 1 19 . 1 1 64 64 ILE HA H 64 4.076 4.076 4.138 -0.062 19002 7901 1 19 . 1 1 64 64 ILE C C 64 176.047 176.047 174.968 1.079 19002 7902 1 19 . 1 1 64 64 ILE CA C 64 61.342 61.342 61.262 0.080 19002 7903 1 19 . 1 1 64 64 ILE CB C 64 38.700 38.700 35.606 3.094 19002 7904 1 19 . 1 1 64 64 ILE H H 64 7.872 7.872 8.557 -0.685 19002 7905 1 19 . 1 1 65 65 PHE N N 65 122.809 122.809 119.966 2.843 19002 7906 1 19 . 1 1 65 65 PHE HA H 65 4.615 4.615 4.753 -0.138 19002 7907 1 19 . 1 1 65 65 PHE C C 65 176.270 176.270 175.505 0.765 19002 7908 1 19 . 1 1 65 65 PHE CA C 65 57.807 57.807 57.931 -0.124 19002 7909 1 19 . 1 1 65 65 PHE CB C 65 39.827 39.827 40.639 -0.812 19002 7910 1 19 . 1 1 65 65 PHE H H 65 8.188 8.188 7.892 0.296 19002 7911 1 19 . 1 1 66 66 GLY N N 66 110.278 110.278 110.079 0.199 19002 7912 1 19 . 1 1 66 66 GLY C C 66 173.802 173.802 172.788 1.014 19002 7913 1 19 . 1 1 66 66 GLY CA C 66 45.391 45.391 44.325 1.066 19002 7914 1 19 . 1 1 66 66 GLY H H 66 8.213 8.213 6.799 1.414 19002 7915 1 19 . 1 1 67 67 ASP N N 67 120.510 120.510 118.062 2.448 19002 7916 1 19 . 1 1 67 67 ASP HA H 67 4.599 4.599 4.250 0.349 19002 7917 1 19 . 1 1 67 67 ASP C C 67 176.897 176.897 175.716 1.181 19002 7918 1 19 . 1 1 67 67 ASP CA C 67 54.425 54.425 55.552 -1.127 19002 7919 1 19 . 1 1 67 67 ASP CB C 67 41.265 41.265 40.661 0.604 19002 7920 1 19 . 1 1 67 67 ASP H H 67 8.254 8.254 8.665 -0.411 19002 7921 1 19 . 1 1 68 68 GLY N N 68 108.789 108.789 105.504 3.285 19002 7922 1 19 . 1 1 68 68 GLY C C 68 174.307 174.307 172.810 1.497 19002 7923 1 19 . 1 1 68 68 GLY CA C 68 46.020 46.020 44.450 1.570 19002 7924 1 19 . 1 1 68 68 GLY H H 68 8.342 8.342 7.746 0.596 19002 7925 1 19 . 1 1 69 69 PHE N N 69 119.903 119.903 116.954 2.949 19002 7926 1 19 . 1 1 69 69 PHE HA H 69 4.599 4.599 5.063 -0.464 19002 7927 1 19 . 1 1 69 69 PHE C C 69 176.432 176.432 175.762 0.670 19002 7928 1 19 . 1 1 69 69 PHE CA C 69 58.146 58.146 55.908 2.238 19002 7929 1 19 . 1 1 69 69 PHE CB C 69 39.339 39.339 38.561 0.778 19002 7930 1 19 . 1 1 69 69 PHE H H 69 8.178 8.178 8.159 0.019 19002 7931 1 19 . 1 1 70 70 GLY N N 70 110.089 110.089 109.042 1.047 19002 7932 1 19 . 1 1 70 70 GLY C C 70 174.227 174.227 175.615 -1.388 19002 7933 1 19 . 1 1 70 70 GLY CA C 70 45.628 45.628 45.409 0.219 19002 7934 1 19 . 1 1 70 70 GLY H H 70 8.382 8.382 8.378 0.004 19002 7935 1 19 . 1 1 71 71 LEU N N 71 121.600 121.600 119.666 1.934 19002 7936 1 19 . 1 1 71 71 LEU HA H 71 4.290 4.290 4.194 0.096 19002 7937 1 19 . 1 1 71 71 LEU C C 71 177.645 177.645 176.629 1.016 19002 7938 1 19 . 1 1 71 71 LEU CA C 71 55.500 55.500 56.335 -0.835 19002 7939 1 19 . 1 1 71 71 LEU CB C 71 42.400 42.400 42.345 0.055 19002 7940 1 19 . 1 1 71 71 LEU H H 71 8.069 8.069 7.826 0.243 19002 7941 1 19 . 1 1 72 72 LYS N N 72 121.214 121.214 115.369 5.845 19002 7942 1 19 . 1 1 72 72 LYS HA H 72 4.283 4.283 4.570 -0.287 19002 7943 1 19 . 1 1 72 72 LYS C C 72 176.553 176.553 174.649 1.904 19002 7944 1 19 . 1 1 72 72 LYS CA C 72 56.594 56.594 55.836 0.758 19002 7945 1 19 . 1 1 72 72 LYS CB C 72 32.765 32.765 34.414 -1.649 19002 7946 1 19 . 1 1 72 72 LYS H H 72 8.372 8.372 7.805 0.567 19002 7947 1 19 . 1 1 73 73 ALA N N 73 124.187 124.187 126.802 -2.615 19002 7948 1 19 . 1 1 73 73 ALA HA H 73 4.347 4.347 4.712 -0.365 19002 7949 1 19 . 1 1 73 73 ALA C C 73 178.009 178.009 176.510 1.499 19002 7950 1 19 . 1 1 73 73 ALA CA C 73 52.597 52.597 52.834 -0.237 19002 7951 1 19 . 1 1 73 73 ALA CB C 73 19.239 19.239 20.241 -1.002 19002 7952 1 19 . 1 1 73 73 ALA H H 73 8.188 8.188 8.521 -0.333 19002 7953 1 19 . 1 1 74 74 THR N N 74 112.973 112.973 117.978 -5.005 19002 7954 1 19 . 1 1 74 74 THR HA H 74 4.339 4.339 4.328 0.011 19002 7955 1 19 . 1 1 74 74 THR C C 74 174.753 174.753 174.650 0.103 19002 7956 1 19 . 1 1 74 74 THR CA C 74 62.046 62.046 62.760 -0.713 19002 7957 1 19 . 1 1 74 74 THR CB C 74 69.779 69.779 68.743 1.036 19002 7958 1 19 . 1 1 74 74 THR H H 74 8.054 8.054 8.161 -0.107 19002 7959 1 19 . 1 1 75 75 ARG N N 75 123.112 123.112 127.685 -4.573 19002 7960 1 19 . 1 1 75 75 ARG HA H 75 4.371 4.371 4.324 0.047 19002 7961 1 19 . 1 1 75 75 ARG C C 75 176.411 176.411 176.110 0.301 19002 7962 1 19 . 1 1 75 75 ARG CA C 75 56.801 56.801 54.928 1.873 19002 7963 1 19 . 1 1 75 75 ARG CB C 75 30.798 30.798 28.734 2.064 19002 7964 1 19 . 1 1 75 75 ARG H H 75 8.296 8.296 8.742 -0.446 19002 7965 1 19 . 1 1 76 76 ARG N N 76 121.977 121.977 124.551 -2.574 19002 7966 1 19 . 1 1 76 76 ARG HA H 76 4.362 4.362 4.412 -0.050 19002 7967 1 19 . 1 1 76 76 ARG C C 76 176.411 176.411 176.592 -0.181 19002 7968 1 19 . 1 1 76 76 ARG CA C 76 56.689 56.689 56.197 0.492 19002 7969 1 19 . 1 1 76 76 ARG CB C 76 30.873 30.873 30.659 0.214 19002 7970 1 19 . 1 1 76 76 ARG H H 76 8.360 8.360 7.968 0.392 19002 7971 1 19 . 1 1 77 77 SER N N 77 116.981 116.981 122.957 -5.976 19002 7972 1 19 . 1 1 77 77 SER HA H 77 4.483 4.483 4.580 -0.097 19002 7973 1 19 . 1 1 77 77 SER C C 77 174.672 174.672 174.310 0.362 19002 7974 1 19 . 1 1 77 77 SER CA C 77 58.497 58.497 57.508 0.990 19002 7975 1 19 . 1 1 77 77 SER CB C 77 63.839 63.839 61.913 1.926 19002 7976 1 19 . 1 1 77 77 SER H H 77 8.325 8.325 8.900 -0.575 19002 7977 1 19 . 1 1 78 78 ARG N N 78 123.324 123.324 123.174 0.150 19002 7978 1 19 . 1 1 78 78 ARG HA H 78 4.377 4.377 4.094 0.283 19002 7979 1 19 . 1 1 78 78 ARG C C 78 176.492 176.492 177.669 -1.177 19002 7980 1 19 . 1 1 78 78 ARG CA C 78 56.619 56.619 58.672 -2.053 19002 7981 1 19 . 1 1 78 78 ARG CB C 78 30.873 30.873 30.310 0.563 19002 7982 1 19 . 1 1 78 78 ARG H H 78 8.421 8.421 7.775 0.646 19002 7983 1 19 . 1 1 79 79 LYS N N 79 122.352 122.352 118.896 3.456 19002 7984 1 19 . 1 1 79 79 LYS HA H 79 4.266 4.266 4.277 -0.011 19002 7985 1 19 . 1 1 79 79 LYS C C 79 176.472 176.472 176.669 -0.197 19002 7986 1 19 . 1 1 79 79 LYS CA C 79 57.076 57.076 56.964 0.112 19002 7987 1 19 . 1 1 79 79 LYS CB C 79 33.186 33.186 32.621 0.565 19002 7988 1 19 . 1 1 79 79 LYS H H 79 8.300 8.300 8.418 -0.118 19002 7989 1 19 . 1 1 80 80 ALA N N 80 124.816 124.816 122.577 2.239 19002 7990 1 19 . 1 1 80 80 ALA HA H 80 4.308 4.308 4.365 -0.057 19002 7991 1 19 . 1 1 80 80 ALA C C 80 177.787 177.787 177.590 0.197 19002 7992 1 19 . 1 1 80 80 ALA CA C 80 52.597 52.597 52.046 0.551 19002 7993 1 19 . 1 1 80 80 ALA CB C 80 19.180 19.180 17.349 1.831 19002 7994 1 19 . 1 1 80 80 ALA H H 80 8.269 8.269 8.025 0.244 19002 7995 1 19 . 1 1 81 81 GLU N N 81 120.243 120.243 123.038 -2.795 19002 7996 1 19 . 1 1 81 81 GLU HA H 81 4.278 4.278 4.146 0.132 19002 7997 1 19 . 1 1 81 81 GLU C C 81 176.614 176.614 177.960 -1.346 19002 7998 1 19 . 1 1 81 81 GLU CA C 81 56.893 56.893 57.757 -0.864 19002 7999 1 19 . 1 1 81 81 GLU CB C 81 30.374 30.374 30.444 -0.070 19002 8000 1 19 . 1 1 81 81 GLU H H 81 8.283 8.283 8.158 0.125 19002 8001 1 19 . 1 1 82 82 ARG N N 82 121.743 121.743 118.416 3.327 19002 8002 1 19 . 1 1 82 82 ARG HA H 82 4.378 4.378 3.937 0.441 19002 8003 1 19 . 1 1 82 82 ARG C C 82 175.946 175.946 175.591 0.355 19002 8004 1 19 . 1 1 82 82 ARG CA C 82 56.047 56.047 57.560 -1.513 19002 8005 1 19 . 1 1 82 82 ARG CB C 82 30.757 30.757 29.020 1.737 19002 8006 1 19 . 1 1 82 82 ARG H H 82 8.256 8.256 8.709 -0.453 19002 8007 1 19 . 1 1 83 83 ALA N N 83 125.049 125.049 123.348 1.701 19002 8008 1 19 . 1 1 83 83 ALA HA H 83 4.313 4.313 4.056 0.257 19002 8009 1 19 . 1 1 83 83 ALA C C 83 177.322 177.322 176.734 0.588 19002 8010 1 19 . 1 1 83 83 ALA CA C 83 52.872 52.872 52.859 0.013 19002 8011 1 19 . 1 1 83 83 ALA CB C 83 19.239 19.239 17.943 1.296 19002 8012 1 19 . 1 1 83 83 ALA H H 83 8.241 8.241 8.290 -0.049 19002 8013 1 19 . 1 1 84 84 LYS N N 84 121.088 121.088 117.868 3.220 19002 8014 1 19 . 1 1 84 84 LYS HA H 84 4.286 4.286 4.020 0.266 19002 8015 1 19 . 1 1 84 84 LYS C C 84 175.460 175.460 175.214 0.246 19002 8016 1 19 . 1 1 84 84 LYS CA C 84 56.316 56.316 56.514 -0.198 19002 8017 1 19 . 1 1 84 84 LYS CB C 84 32.923 32.923 32.248 0.675 19002 8018 1 19 . 1 1 84 84 LYS H H 84 8.186 8.186 8.434 -0.248 19002 8019 1 20 . 1 1 12 12 ARG N N 12 121.400 121.400 120.845 0.555 19002 8020 1 20 . 1 1 12 12 ARG HA H 12 4.640 4.640 4.588 0.052 19002 8021 1 20 . 1 1 12 12 ARG C C 12 174.242 174.242 174.534 -0.292 19002 8022 1 20 . 1 1 12 12 ARG CA C 12 53.900 53.900 54.673 -0.773 19002 8023 1 20 . 1 1 12 12 ARG CB C 12 30.400 30.400 30.572 -0.172 19002 8024 1 20 . 1 1 12 12 ARG H H 12 8.140 8.140 8.360 -0.220 19002 8025 1 20 . 1 1 13 13 PRO HA H 13 4.457 4.457 4.565 -0.108 19002 8026 1 20 . 1 1 13 13 PRO C C 13 177.524 177.524 177.210 0.314 19002 8027 1 20 . 1 1 13 13 PRO CA C 13 63.259 63.259 62.771 0.488 19002 8028 1 20 . 1 1 13 13 PRO CB C 13 32.067 32.067 32.460 -0.393 19002 8029 1 20 . 1 1 14 14 GLY N N 14 109.192 109.192 112.331 -3.139 19002 8030 1 20 . 1 1 14 14 GLY C C 14 174.227 174.227 175.089 -0.862 19002 8031 1 20 . 1 1 14 14 GLY CA C 14 45.497 45.497 45.692 -0.195 19002 8032 1 20 . 1 1 14 14 GLY H H 14 8.467 8.467 8.751 -0.284 19002 8033 1 20 . 1 1 15 15 VAL N N 15 119.157 119.157 118.161 0.996 19002 8034 1 20 . 1 1 15 15 VAL HA H 15 4.081 4.081 4.504 -0.423 19002 8035 1 20 . 1 1 15 15 VAL C C 15 175.986 175.986 175.304 0.682 19002 8036 1 20 . 1 1 15 15 VAL CA C 15 62.529 62.529 62.440 0.089 19002 8037 1 20 . 1 1 15 15 VAL CB C 15 32.491 32.491 32.571 -0.080 19002 8038 1 20 . 1 1 15 15 VAL H H 15 7.837 7.837 7.784 0.053 19002 8039 1 20 . 1 1 16 16 PHE N N 16 123.110 123.110 124.848 -1.738 19002 8040 1 20 . 1 1 16 16 PHE HA H 16 4.614 4.614 4.622 -0.008 19002 8041 1 20 . 1 1 16 16 PHE C C 16 175.804 175.804 174.330 1.474 19002 8042 1 20 . 1 1 16 16 PHE CA C 16 58.398 58.398 57.266 1.132 19002 8043 1 20 . 1 1 16 16 PHE CB C 16 39.475 39.475 38.146 1.329 19002 8044 1 20 . 1 1 16 16 PHE H H 16 8.265 8.265 8.313 -0.048 19002 8045 1 20 . 1 1 17 17 ARG N N 17 122.074 122.074 129.605 -7.531 19002 8046 1 20 . 1 1 17 17 ARG HA H 17 4.323 4.323 4.337 -0.014 19002 8047 1 20 . 1 1 17 17 ARG C C 17 176.452 176.452 175.744 0.708 19002 8048 1 20 . 1 1 17 17 ARG CA C 17 56.710 56.710 54.921 1.789 19002 8049 1 20 . 1 1 17 17 ARG CB C 17 30.937 30.937 27.832 3.105 19002 8050 1 20 . 1 1 17 17 ARG H H 17 8.155 8.155 8.126 0.029 19002 8051 1 20 . 1 1 18 18 THR N N 18 114.223 114.223 113.341 0.882 19002 8052 1 20 . 1 1 18 18 THR HA H 18 4.231 4.231 3.957 0.274 19002 8053 1 20 . 1 1 18 18 THR C C 18 174.348 174.348 172.796 1.552 19002 8054 1 20 . 1 1 18 18 THR CA C 18 62.410 62.410 62.979 -0.569 19002 8055 1 20 . 1 1 18 18 THR CB C 18 69.509 69.509 68.989 0.520 19002 8056 1 20 . 1 1 18 18 THR H H 18 8.015 8.015 8.402 -0.387 19002 8057 1 20 . 1 1 19 19 ARG N N 19 120.957 120.957 118.872 2.085 19002 8058 1 20 . 1 1 19 19 ARG HA H 19 4.323 4.323 4.123 0.200 19002 8059 1 20 . 1 1 19 19 ARG C C 19 175.986 175.986 176.279 -0.293 19002 8060 1 20 . 1 1 19 19 ARG CA C 19 56.093 56.093 55.460 0.633 19002 8061 1 20 . 1 1 19 19 ARG CB C 19 30.480 30.480 29.546 0.934 19002 8062 1 20 . 1 1 19 19 ARG H H 19 8.080 8.080 8.432 -0.352 19002 8063 1 20 . 1 1 20 20 GLY N N 20 107.963 107.963 108.693 -0.730 19002 8064 1 20 . 1 1 20 20 GLY C C 20 173.802 173.802 174.041 -0.239 19002 8065 1 20 . 1 1 20 20 GLY CA C 20 45.273 45.273 44.777 0.496 19002 8066 1 20 . 1 1 20 20 GLY H H 20 8.241 8.241 7.659 0.582 19002 8067 1 20 . 1 1 21 21 LEU N N 21 121.181 121.181 122.726 -1.545 19002 8068 1 20 . 1 1 21 21 LEU HA H 21 4.770 4.770 4.378 0.392 19002 8069 1 20 . 1 1 21 21 LEU C C 21 178.414 178.414 176.810 1.604 19002 8070 1 20 . 1 1 21 21 LEU CA C 21 54.677 54.677 55.048 -0.372 19002 8071 1 20 . 1 1 21 21 LEU CB C 21 43.142 43.142 42.664 0.478 19002 8072 1 20 . 1 1 21 21 LEU H H 21 7.967 7.967 7.631 0.336 19002 8073 1 20 . 1 1 22 22 THR N N 22 114.494 114.494 117.788 -3.294 19002 8074 1 20 . 1 1 22 22 THR HA H 22 4.558 4.558 4.322 0.236 19002 8075 1 20 . 1 1 22 22 THR C C 22 175.359 175.359 175.331 0.028 19002 8076 1 20 . 1 1 22 22 THR CA C 22 61.316 61.316 61.034 0.282 19002 8077 1 20 . 1 1 22 22 THR CB C 22 71.015 71.015 70.235 0.780 19002 8078 1 20 . 1 1 22 22 THR H H 22 9.075 9.075 8.075 1.000 19002 8079 1 20 . 1 1 23 23 ASP N N 23 121.204 121.204 121.184 0.020 19002 8080 1 20 . 1 1 23 23 ASP HA H 23 4.485 4.485 4.301 0.184 19002 8081 1 20 . 1 1 23 23 ASP C C 23 178.697 178.697 178.379 0.318 19002 8082 1 20 . 1 1 23 23 ASP CA C 23 58.315 58.315 58.264 0.051 19002 8083 1 20 . 1 1 23 23 ASP CB C 23 39.931 39.931 40.881 -0.950 19002 8084 1 20 . 1 1 23 23 ASP H H 23 8.943 8.943 8.824 0.119 19002 8085 1 20 . 1 1 24 24 GLU N N 24 119.241 119.241 118.532 0.709 19002 8086 1 20 . 1 1 24 24 GLU HA H 24 4.199 4.199 4.052 0.147 19002 8087 1 20 . 1 1 24 24 GLU C C 24 179.911 179.911 179.195 0.716 19002 8088 1 20 . 1 1 24 24 GLU CA C 24 59.973 59.973 59.625 0.348 19002 8089 1 20 . 1 1 24 24 GLU CB C 24 29.306 29.306 29.454 -0.148 19002 8090 1 20 . 1 1 24 24 GLU H H 24 8.741 8.741 8.697 0.044 19002 8091 1 20 . 1 1 25 25 GLU N N 25 121.151 121.151 120.046 1.105 19002 8092 1 20 . 1 1 25 25 GLU HA H 25 4.200 4.200 4.241 -0.041 19002 8093 1 20 . 1 1 25 25 GLU C C 25 178.394 178.394 179.163 -0.769 19002 8094 1 20 . 1 1 25 25 GLU CA C 25 59.178 59.178 58.901 0.277 19002 8095 1 20 . 1 1 25 25 GLU CB C 25 30.873 30.873 29.570 1.303 19002 8096 1 20 . 1 1 25 25 GLU H H 25 7.801 7.801 7.701 0.100 19002 8097 1 20 . 1 1 26 26 TYR N N 26 120.692 120.692 120.991 -0.299 19002 8098 1 20 . 1 1 26 26 TYR HA H 26 4.184 4.184 4.098 0.086 19002 8099 1 20 . 1 1 26 26 TYR C C 26 177.483 177.483 177.663 -0.180 19002 8100 1 20 . 1 1 26 26 TYR CA C 26 61.924 61.924 61.397 0.527 19002 8101 1 20 . 1 1 26 26 TYR CB C 26 37.837 37.837 38.566 -0.728 19002 8102 1 20 . 1 1 26 26 TYR H H 26 8.897 8.897 8.796 0.101 19002 8103 1 20 . 1 1 27 27 ASP N N 27 118.898 118.898 119.199 -0.301 19002 8104 1 20 . 1 1 27 27 ASP HA H 27 4.338 4.338 4.177 0.161 19002 8105 1 20 . 1 1 27 27 ASP C C 27 178.535 178.535 178.318 0.217 19002 8106 1 20 . 1 1 27 27 ASP CA C 27 57.864 57.864 57.978 -0.114 19002 8107 1 20 . 1 1 27 27 ASP CB C 27 40.797 40.797 40.742 0.055 19002 8108 1 20 . 1 1 27 27 ASP H H 27 8.135 8.135 8.463 -0.328 19002 8109 1 20 . 1 1 28 28 GLU N N 28 121.020 121.020 120.398 0.622 19002 8110 1 20 . 1 1 28 28 GLU HA H 28 4.101 4.101 4.063 0.038 19002 8111 1 20 . 1 1 28 28 GLU C C 28 178.394 178.394 178.544 -0.150 19002 8112 1 20 . 1 1 28 28 GLU CA C 28 59.450 59.450 59.083 0.367 19002 8113 1 20 . 1 1 28 28 GLU CB C 28 29.231 29.231 29.477 -0.246 19002 8114 1 20 . 1 1 28 28 GLU H H 28 7.655 7.655 7.874 -0.219 19002 8115 1 20 . 1 1 29 29 PHE N N 29 121.567 121.567 120.729 0.838 19002 8116 1 20 . 1 1 29 29 PHE HA H 29 3.765 3.765 3.853 -0.088 19002 8117 1 20 . 1 1 29 29 PHE C C 29 176.169 176.169 177.113 -0.944 19002 8118 1 20 . 1 1 29 29 PHE CA C 29 61.371 61.371 60.788 0.583 19002 8119 1 20 . 1 1 29 29 PHE CB C 29 37.588 37.588 38.388 -0.800 19002 8120 1 20 . 1 1 29 29 PHE H H 29 8.471 8.471 8.427 0.044 19002 8121 1 20 . 1 1 30 30 LYS N N 30 118.916 118.916 119.368 -0.452 19002 8122 1 20 . 1 1 30 30 LYS HA H 30 3.137 3.137 3.357 -0.220 19002 8123 1 20 . 1 1 30 30 LYS C C 30 179.445 179.445 178.749 0.696 19002 8124 1 20 . 1 1 30 30 LYS CA C 30 60.346 60.346 60.088 0.258 19002 8125 1 20 . 1 1 30 30 LYS CB C 30 31.992 31.992 31.925 0.067 19002 8126 1 20 . 1 1 30 30 LYS H H 30 8.287 8.287 8.208 0.079 19002 8127 1 20 . 1 1 31 31 LYS N N 31 120.113 120.113 118.949 1.164 19002 8128 1 20 . 1 1 31 31 LYS HA H 31 4.018 4.018 3.833 0.185 19002 8129 1 20 . 1 1 31 31 LYS C C 31 179.918 179.918 179.060 0.858 19002 8130 1 20 . 1 1 31 31 LYS CA C 31 59.700 59.700 60.001 -0.301 19002 8131 1 20 . 1 1 31 31 LYS CB C 31 32.300 32.300 32.219 0.081 19002 8132 1 20 . 1 1 31 31 LYS H H 31 7.690 7.690 8.059 -0.369 19002 8133 1 20 . 1 1 32 32 ARG N N 32 121.200 121.200 118.281 2.919 19002 8134 1 20 . 1 1 32 32 ARG HA H 32 3.893 3.893 3.803 0.090 19002 8135 1 20 . 1 1 32 32 ARG C C 32 178.990 178.990 178.172 0.818 19002 8136 1 20 . 1 1 32 32 ARG CA C 32 59.452 59.452 59.632 -0.180 19002 8137 1 20 . 1 1 32 32 ARG CB C 32 31.284 31.284 30.158 1.126 19002 8138 1 20 . 1 1 32 32 ARG H H 32 8.299 8.299 8.264 0.035 19002 8139 1 20 . 1 1 33 33 ARG N N 33 120.223 120.223 120.004 0.219 19002 8140 1 20 . 1 1 33 33 ARG HA H 33 3.698 3.698 3.955 -0.257 19002 8141 1 20 . 1 1 33 33 ARG C C 33 178.697 178.697 178.199 0.498 19002 8142 1 20 . 1 1 33 33 ARG CA C 33 59.607 59.607 59.412 0.195 19002 8143 1 20 . 1 1 33 33 ARG CB C 33 29.570 29.570 29.783 -0.213 19002 8144 1 20 . 1 1 33 33 ARG H H 33 8.704 8.704 8.345 0.359 19002 8145 1 20 . 1 1 34 34 GLU N N 34 119.860 119.860 118.981 0.879 19002 8146 1 20 . 1 1 34 34 GLU HA H 34 4.046 4.046 4.003 0.043 19002 8147 1 20 . 1 1 34 34 GLU C C 34 179.850 179.850 179.390 0.460 19002 8148 1 20 . 1 1 34 34 GLU CA C 34 59.210 59.210 59.053 0.157 19002 8149 1 20 . 1 1 34 34 GLU CB C 34 29.380 29.380 28.985 0.395 19002 8150 1 20 . 1 1 34 34 GLU H H 34 7.941 7.941 8.399 -0.458 19002 8151 1 20 . 1 1 35 35 SER N N 35 115.261 115.261 115.932 -0.671 19002 8152 1 20 . 1 1 35 35 SER HA H 35 4.378 4.378 4.201 0.177 19002 8153 1 20 . 1 1 35 35 SER C C 35 175.339 175.339 176.261 -0.922 19002 8154 1 20 . 1 1 35 35 SER CA C 35 60.068 60.068 60.925 -0.857 19002 8155 1 20 . 1 1 35 35 SER CB C 35 63.321 63.321 63.183 0.138 19002 8156 1 20 . 1 1 35 35 SER H H 35 7.813 7.813 7.725 0.088 19002 8157 1 20 . 1 1 36 36 ARG N N 36 119.557 119.557 119.559 -0.002 19002 8158 1 20 . 1 1 36 36 ARG HA H 36 4.439 4.439 4.358 0.081 19002 8159 1 20 . 1 1 36 36 ARG C C 36 177.524 177.524 176.012 1.512 19002 8160 1 20 . 1 1 36 36 ARG CA C 36 55.794 55.794 55.134 0.660 19002 8161 1 20 . 1 1 36 36 ARG CB C 36 30.276 30.276 30.320 -0.044 19002 8162 1 20 . 1 1 36 36 ARG H H 36 7.459 7.459 7.437 0.022 19002 8163 1 20 . 1 1 37 37 GLY N N 37 109.722 109.722 106.090 3.632 19002 8164 1 20 . 1 1 37 37 GLY C C 37 175.117 175.117 174.952 0.165 19002 8165 1 20 . 1 1 37 37 GLY CA C 37 46.691 46.691 45.256 1.435 19002 8166 1 20 . 1 1 37 37 GLY H H 37 7.981 7.981 7.934 0.047 19002 8167 1 20 . 1 1 38 38 GLY N N 38 104.904 104.904 106.279 -1.375 19002 8168 1 20 . 1 1 38 38 GLY C C 38 174.489 174.489 175.442 -0.953 19002 8169 1 20 . 1 1 38 38 GLY CA C 38 45.012 45.012 45.098 -0.086 19002 8170 1 20 . 1 1 38 38 GLY H H 38 8.271 8.271 8.654 -0.383 19002 8171 1 20 . 1 1 39 39 LYS N N 39 122.169 122.169 123.306 -1.137 19002 8172 1 20 . 1 1 39 39 LYS HA H 39 4.515 4.515 4.390 0.125 19002 8173 1 20 . 1 1 39 39 LYS C C 39 174.995 174.995 175.101 -0.106 19002 8174 1 20 . 1 1 39 39 LYS CA C 39 55.622 55.622 55.847 -0.225 19002 8175 1 20 . 1 1 39 39 LYS CB C 39 30.846 30.846 31.502 -0.656 19002 8176 1 20 . 1 1 39 39 LYS H H 39 7.471 7.471 7.460 0.011 19002 8177 1 20 . 1 1 40 40 TYR N N 40 123.749 123.749 122.991 0.758 19002 8178 1 20 . 1 1 40 40 TYR HA H 40 4.893 4.893 4.674 0.219 19002 8179 1 20 . 1 1 40 40 TYR C C 40 173.883 173.883 173.687 0.196 19002 8180 1 20 . 1 1 40 40 TYR CA C 40 58.629 58.629 56.792 1.837 19002 8181 1 20 . 1 1 40 40 TYR CB C 40 40.871 40.871 40.606 0.265 19002 8182 1 20 . 1 1 40 40 TYR H H 40 7.687 7.687 8.076 -0.389 19002 8183 1 20 . 1 1 41 41 SER N N 41 124.561 124.561 122.033 2.528 19002 8184 1 20 . 1 1 41 41 SER HA H 41 5.061 5.061 4.651 0.410 19002 8185 1 20 . 1 1 41 41 SER C C 41 175.258 175.258 174.863 0.395 19002 8186 1 20 . 1 1 41 41 SER CA C 41 56.913 56.913 57.529 -0.616 19002 8187 1 20 . 1 1 41 41 SER CB C 41 67.136 67.136 64.343 2.793 19002 8188 1 20 . 1 1 41 41 SER H H 41 9.246 9.246 8.080 1.166 19002 8189 1 20 . 1 1 42 42 ILE N N 42 122.298 122.298 121.700 0.598 19002 8190 1 20 . 1 1 42 42 ILE HA H 42 3.384 3.384 3.328 0.056 19002 8191 1 20 . 1 1 42 42 ILE C C 42 176.573 176.573 176.792 -0.219 19002 8192 1 20 . 1 1 42 42 ILE CA C 42 63.317 63.317 63.715 -0.397 19002 8193 1 20 . 1 1 42 42 ILE CB C 42 37.290 37.290 38.042 -0.752 19002 8194 1 20 . 1 1 42 42 ILE H H 42 8.848 8.848 8.947 -0.099 19002 8195 1 20 . 1 1 43 43 ASP N N 43 118.987 118.987 119.545 -0.558 19002 8196 1 20 . 1 1 43 43 ASP HA H 43 4.317 4.317 4.286 0.031 19002 8197 1 20 . 1 1 43 43 ASP C C 43 178.940 178.940 178.229 0.711 19002 8198 1 20 . 1 1 43 43 ASP CA C 43 57.809 57.809 58.326 -0.517 19002 8199 1 20 . 1 1 43 43 ASP CB C 43 40.722 40.722 40.037 0.685 19002 8200 1 20 . 1 1 43 43 ASP H H 43 7.673 7.673 8.667 -0.994 19002 8201 1 20 . 1 1 44 44 ASP N N 44 121.961 121.961 119.690 2.271 19002 8202 1 20 . 1 1 44 44 ASP HA H 44 4.259 4.259 4.383 -0.124 19002 8203 1 20 . 1 1 44 44 ASP C C 44 177.564 177.564 178.361 -0.797 19002 8204 1 20 . 1 1 44 44 ASP CA C 44 57.624 57.624 57.796 -0.172 19002 8205 1 20 . 1 1 44 44 ASP CB C 44 41.244 41.244 40.651 0.593 19002 8206 1 20 . 1 1 44 44 ASP H H 44 7.610 7.610 8.261 -0.651 19002 8207 1 20 . 1 1 45 45 TYR N N 45 121.352 121.352 121.907 -0.555 19002 8208 1 20 . 1 1 45 45 TYR HA H 45 4.676 4.676 4.579 0.097 19002 8209 1 20 . 1 1 45 45 TYR C C 45 177.362 177.362 177.752 -0.390 19002 8210 1 20 . 1 1 45 45 TYR CA C 45 60.703 60.703 60.939 -0.236 19002 8211 1 20 . 1 1 45 45 TYR CB C 45 38.747 38.747 38.872 -0.125 19002 8212 1 20 . 1 1 45 45 TYR H H 45 7.750 7.750 7.288 0.462 19002 8213 1 20 . 1 1 46 46 LEU N N 46 118.650 118.650 119.087 -0.437 19002 8214 1 20 . 1 1 46 46 LEU HA H 46 3.697 3.697 3.730 -0.033 19002 8215 1 20 . 1 1 46 46 LEU C C 46 179.850 179.850 179.023 0.827 19002 8216 1 20 . 1 1 46 46 LEU CA C 46 57.807 57.807 57.582 0.225 19002 8217 1 20 . 1 1 46 46 LEU CB C 46 41.205 41.205 41.275 -0.070 19002 8218 1 20 . 1 1 46 46 LEU H H 46 8.544 8.544 8.875 -0.331 19002 8219 1 20 . 1 1 47 47 ALA N N 47 121.991 121.991 122.030 -0.039 19002 8220 1 20 . 1 1 47 47 ALA HA H 47 4.190 4.190 3.948 0.242 19002 8221 1 20 . 1 1 47 47 ALA C C 47 180.457 180.457 179.131 1.326 19002 8222 1 20 . 1 1 47 47 ALA CA C 47 55.048 55.048 55.553 -0.506 19002 8223 1 20 . 1 1 47 47 ALA CB C 47 18.337 18.337 17.972 0.365 19002 8224 1 20 . 1 1 47 47 ALA H H 47 7.716 7.716 8.216 -0.500 19002 8225 1 20 . 1 1 48 48 ASP N N 48 120.788 120.788 118.297 2.491 19002 8226 1 20 . 1 1 48 48 ASP HA H 48 4.505 4.505 4.440 0.065 19002 8227 1 20 . 1 1 48 48 ASP C C 48 178.596 178.596 178.102 0.494 19002 8228 1 20 . 1 1 48 48 ASP CA C 48 57.361 57.361 56.310 1.051 19002 8229 1 20 . 1 1 48 48 ASP CB C 48 40.076 40.076 40.966 -0.890 19002 8230 1 20 . 1 1 48 48 ASP H H 48 8.316 8.316 7.665 0.651 19002 8231 1 20 . 1 1 49 49 ARG N N 49 120.274 120.274 120.963 -0.689 19002 8232 1 20 . 1 1 49 49 ARG HA H 49 3.952 3.952 4.030 -0.078 19002 8233 1 20 . 1 1 49 49 ARG C C 49 178.454 178.454 178.224 0.230 19002 8234 1 20 . 1 1 49 49 ARG CA C 49 58.133 58.133 58.868 -0.735 19002 8235 1 20 . 1 1 49 49 ARG CB C 49 29.231 29.231 29.917 -0.686 19002 8236 1 20 . 1 1 49 49 ARG H H 49 8.459 8.459 8.310 0.149 19002 8237 1 20 . 1 1 50 50 GLU N N 50 118.834 118.834 117.699 1.135 19002 8238 1 20 . 1 1 50 50 GLU HA H 50 4.101 4.101 4.037 0.064 19002 8239 1 20 . 1 1 50 50 GLU C C 50 178.353 178.353 179.099 -0.746 19002 8240 1 20 . 1 1 50 50 GLU CA C 50 58.928 58.928 59.034 -0.106 19002 8241 1 20 . 1 1 50 50 GLU CB C 50 29.530 29.530 28.901 0.629 19002 8242 1 20 . 1 1 50 50 GLU H H 50 7.734 7.734 8.230 -0.496 19002 8243 1 20 . 1 1 51 51 ARG N N 51 119.239 119.239 118.790 0.449 19002 8244 1 20 . 1 1 51 51 ARG HA H 51 4.240 4.240 4.133 0.107 19002 8245 1 20 . 1 1 51 51 ARG C C 51 178.370 178.370 178.767 -0.397 19002 8246 1 20 . 1 1 51 51 ARG CA C 51 58.105 58.105 58.059 0.046 19002 8247 1 20 . 1 1 51 51 ARG CB C 51 30.649 30.649 29.763 0.886 19002 8248 1 20 . 1 1 51 51 ARG H H 51 7.694 7.694 7.354 0.340 19002 8249 1 20 . 1 1 52 52 GLU N N 52 119.667 119.667 120.146 -0.479 19002 8250 1 20 . 1 1 52 52 GLU HA H 52 4.099 4.099 3.942 0.157 19002 8251 1 20 . 1 1 52 52 GLU C C 52 178.370 178.370 179.006 -0.636 19002 8252 1 20 . 1 1 52 52 GLU CA C 52 58.538 58.538 59.427 -0.889 19002 8253 1 20 . 1 1 52 52 GLU CB C 52 29.661 29.661 29.264 0.397 19002 8254 1 20 . 1 1 52 52 GLU H H 52 8.299 8.299 8.380 -0.081 19002 8255 1 20 . 1 1 53 53 GLU N N 53 119.152 119.152 117.939 1.213 19002 8256 1 20 . 1 1 53 53 GLU HA H 53 4.210 4.210 4.050 0.160 19002 8257 1 20 . 1 1 53 53 GLU C C 53 177.740 177.740 178.743 -1.003 19002 8258 1 20 . 1 1 53 53 GLU CA C 53 58.172 58.172 58.924 -0.752 19002 8259 1 20 . 1 1 53 53 GLU CB C 53 29.530 29.530 29.430 0.100 19002 8260 1 20 . 1 1 53 53 GLU H H 53 8.098 8.098 8.314 -0.216 19002 8261 1 20 . 1 1 54 54 GLU N N 54 120.097 120.097 115.821 4.276 19002 8262 1 20 . 1 1 54 54 GLU HA H 54 4.212 4.212 4.251 -0.039 19002 8263 1 20 . 1 1 54 54 GLU C C 54 177.443 177.443 177.464 -0.021 19002 8264 1 20 . 1 1 54 54 GLU CA C 54 58.081 58.081 57.849 0.232 19002 8265 1 20 . 1 1 54 54 GLU CB C 54 29.788 29.788 29.977 -0.188 19002 8266 1 20 . 1 1 54 54 GLU H H 54 7.968 7.968 7.821 0.147 19002 8267 1 20 . 1 1 55 55 LEU N N 55 120.563 120.563 119.529 1.034 19002 8268 1 20 . 1 1 55 55 LEU HA H 55 4.288 4.288 4.335 -0.047 19002 8269 1 20 . 1 1 55 55 LEU C C 55 177.735 177.735 177.326 0.409 19002 8270 1 20 . 1 1 55 55 LEU CA C 55 56.070 56.070 55.097 0.973 19002 8271 1 20 . 1 1 55 55 LEU CB C 55 42.062 42.062 42.491 -0.429 19002 8272 1 20 . 1 1 55 55 LEU H H 55 7.905 7.905 7.336 0.569 19002 8273 1 20 . 1 1 56 56 LEU N N 56 121.250 121.250 117.603 3.647 19002 8274 1 20 . 1 1 56 56 LEU HA H 56 4.312 4.312 4.289 0.023 19002 8275 1 20 . 1 1 56 56 LEU C C 56 177.726 177.726 177.987 -0.261 19002 8276 1 20 . 1 1 56 56 LEU CA C 56 55.979 55.979 55.185 0.794 19002 8277 1 20 . 1 1 56 56 LEU CB C 56 42.635 42.635 42.680 -0.045 19002 8278 1 20 . 1 1 56 56 LEU H H 56 7.859 7.859 7.887 -0.028 19002 8279 1 20 . 1 1 57 57 GLU N N 57 120.632 120.632 115.508 5.124 19002 8280 1 20 . 1 1 57 57 GLU HA H 57 4.283 4.283 3.849 0.434 19002 8281 1 20 . 1 1 57 57 GLU C C 57 176.553 176.553 177.207 -0.654 19002 8282 1 20 . 1 1 57 57 GLU CA C 57 57.076 57.076 58.538 -1.462 19002 8283 1 20 . 1 1 57 57 GLU CB C 57 30.052 30.052 28.618 1.434 19002 8284 1 20 . 1 1 57 57 GLU H H 57 8.153 8.153 8.619 -0.466 19002 8285 1 20 . 1 1 58 58 ARG N N 58 121.282 121.282 123.213 -1.931 19002 8286 1 20 . 1 1 58 58 ARG HA H 58 4.372 4.372 4.124 0.248 19002 8287 1 20 . 1 1 58 58 ARG C C 58 176.169 176.169 177.249 -1.080 19002 8288 1 20 . 1 1 58 58 ARG CA C 58 56.344 56.344 57.493 -1.149 19002 8289 1 20 . 1 1 58 58 ARG CB C 58 31.102 31.102 29.892 1.210 19002 8290 1 20 . 1 1 58 58 ARG H H 58 8.146 8.146 8.073 0.073 19002 8291 1 20 . 1 1 59 59 ASP N N 59 121.619 121.619 124.127 -2.508 19002 8292 1 20 . 1 1 59 59 ASP HA H 59 4.639 4.639 4.395 0.244 19002 8293 1 20 . 1 1 59 59 ASP C C 59 176.553 176.553 177.536 -0.983 19002 8294 1 20 . 1 1 59 59 ASP CA C 59 54.768 54.768 57.478 -2.711 19002 8295 1 20 . 1 1 59 59 ASP CB C 59 41.256 41.256 39.704 1.552 19002 8296 1 20 . 1 1 59 59 ASP H H 59 8.386 8.386 8.960 -0.574 19002 8297 1 20 . 1 1 60 60 GLU N N 60 121.214 121.214 120.238 0.976 19002 8298 1 20 . 1 1 60 60 GLU HA H 60 4.273 4.273 4.147 0.126 19002 8299 1 20 . 1 1 60 60 GLU C C 60 176.876 176.876 177.788 -0.912 19002 8300 1 20 . 1 1 60 60 GLU CA C 60 57.361 57.361 58.586 -1.225 19002 8301 1 20 . 1 1 60 60 GLU CB C 60 30.425 30.425 29.697 0.728 19002 8302 1 20 . 1 1 60 60 GLU H H 60 8.372 8.372 8.284 0.088 19002 8303 1 20 . 1 1 61 61 GLU N N 61 121.077 121.077 117.029 4.048 19002 8304 1 20 . 1 1 61 61 GLU HA H 61 4.210 4.210 4.333 -0.123 19002 8305 1 20 . 1 1 61 61 GLU C C 61 176.832 176.832 176.573 0.259 19002 8306 1 20 . 1 1 61 61 GLU CA C 61 57.734 57.734 55.958 1.776 19002 8307 1 20 . 1 1 61 61 GLU CB C 61 30.425 30.425 29.948 0.477 19002 8308 1 20 . 1 1 61 61 GLU H H 61 8.384 8.384 8.013 0.371 19002 8309 1 20 . 1 1 62 62 GLU N N 62 121.155 121.155 117.673 3.482 19002 8310 1 20 . 1 1 62 62 GLU HA H 62 4.249 4.249 4.266 -0.017 19002 8311 1 20 . 1 1 62 62 GLU C C 62 176.432 176.432 174.809 1.623 19002 8312 1 20 . 1 1 62 62 GLU CA C 62 57.137 57.137 58.708 -1.571 19002 8313 1 20 . 1 1 62 62 GLU CB C 62 30.425 30.425 28.639 1.786 19002 8314 1 20 . 1 1 62 62 GLU H H 62 8.300 8.300 8.110 0.190 19002 8315 1 20 . 1 1 63 63 ALA N N 63 124.607 124.607 119.657 4.950 19002 8316 1 20 . 1 1 63 63 ALA HA H 63 4.293 4.293 4.524 -0.231 19002 8317 1 20 . 1 1 63 63 ALA C C 63 177.483 177.483 176.225 1.258 19002 8318 1 20 . 1 1 63 63 ALA CA C 63 52.915 52.915 52.095 0.820 19002 8319 1 20 . 1 1 63 63 ALA CB C 63 19.070 19.070 18.982 0.088 19002 8320 1 20 . 1 1 63 63 ALA H H 63 8.178 8.178 7.722 0.456 19002 8321 1 20 . 1 1 64 64 ILE N N 64 118.941 118.941 118.368 0.573 19002 8322 1 20 . 1 1 64 64 ILE HA H 64 4.076 4.076 3.978 0.098 19002 8323 1 20 . 1 1 64 64 ILE C C 64 176.047 176.047 175.051 0.996 19002 8324 1 20 . 1 1 64 64 ILE CA C 64 61.342 61.342 61.042 0.300 19002 8325 1 20 . 1 1 64 64 ILE CB C 64 38.700 38.700 39.798 -1.098 19002 8326 1 20 . 1 1 64 64 ILE H H 64 7.872 7.872 7.727 0.145 19002 8327 1 20 . 1 1 65 65 PHE N N 65 122.809 122.809 118.283 4.526 19002 8328 1 20 . 1 1 65 65 PHE HA H 65 4.615 4.615 4.493 0.122 19002 8329 1 20 . 1 1 65 65 PHE C C 65 176.270 176.270 176.061 0.209 19002 8330 1 20 . 1 1 65 65 PHE CA C 65 57.807 57.807 57.846 -0.039 19002 8331 1 20 . 1 1 65 65 PHE CB C 65 39.827 39.827 38.882 0.945 19002 8332 1 20 . 1 1 65 65 PHE H H 65 8.188 8.188 7.938 0.250 19002 8333 1 20 . 1 1 66 66 GLY N N 66 110.278 110.278 109.078 1.200 19002 8334 1 20 . 1 1 66 66 GLY C C 66 173.802 173.802 174.163 -0.361 19002 8335 1 20 . 1 1 66 66 GLY CA C 66 45.391 45.391 44.410 0.981 19002 8336 1 20 . 1 1 66 66 GLY H H 66 8.213 8.213 8.546 -0.333 19002 8337 1 20 . 1 1 67 67 ASP N N 67 120.510 120.510 120.977 -0.467 19002 8338 1 20 . 1 1 67 67 ASP HA H 67 4.599 4.599 4.689 -0.090 19002 8339 1 20 . 1 1 67 67 ASP C C 67 176.897 176.897 176.256 0.641 19002 8340 1 20 . 1 1 67 67 ASP CA C 67 54.425 54.425 54.777 -0.352 19002 8341 1 20 . 1 1 67 67 ASP CB C 67 41.265 41.265 40.083 1.182 19002 8342 1 20 . 1 1 67 67 ASP H H 67 8.254 8.254 8.381 -0.127 19002 8343 1 20 . 1 1 68 68 GLY N N 68 108.789 108.789 108.189 0.600 19002 8344 1 20 . 1 1 68 68 GLY C C 68 174.307 174.307 173.934 0.373 19002 8345 1 20 . 1 1 68 68 GLY CA C 68 46.020 46.020 45.174 0.846 19002 8346 1 20 . 1 1 68 68 GLY H H 68 8.342 8.342 7.245 1.097 19002 8347 1 20 . 1 1 69 69 PHE N N 69 119.903 119.903 119.298 0.605 19002 8348 1 20 . 1 1 69 69 PHE HA H 69 4.599 4.599 4.555 0.044 19002 8349 1 20 . 1 1 69 69 PHE C C 69 176.432 176.432 175.963 0.469 19002 8350 1 20 . 1 1 69 69 PHE CA C 69 58.146 58.146 55.287 2.859 19002 8351 1 20 . 1 1 69 69 PHE CB C 69 39.339 39.339 38.474 0.865 19002 8352 1 20 . 1 1 69 69 PHE H H 69 8.178 8.178 7.606 0.572 19002 8353 1 20 . 1 1 70 70 GLY N N 70 110.089 110.089 109.761 0.328 19002 8354 1 20 . 1 1 70 70 GLY C C 70 174.227 174.227 173.899 0.328 19002 8355 1 20 . 1 1 70 70 GLY CA C 70 45.628 45.628 45.019 0.609 19002 8356 1 20 . 1 1 70 70 GLY H H 70 8.382 8.382 8.508 -0.126 19002 8357 1 20 . 1 1 71 71 LEU N N 71 121.600 121.600 119.921 1.679 19002 8358 1 20 . 1 1 71 71 LEU HA H 71 4.290 4.290 4.365 -0.075 19002 8359 1 20 . 1 1 71 71 LEU C C 71 177.645 177.645 177.523 0.122 19002 8360 1 20 . 1 1 71 71 LEU CA C 71 55.500 55.500 55.718 -0.218 19002 8361 1 20 . 1 1 71 71 LEU CB C 71 42.400 42.400 43.048 -0.648 19002 8362 1 20 . 1 1 71 71 LEU H H 71 8.069 8.069 7.464 0.605 19002 8363 1 20 . 1 1 72 72 LYS N N 72 121.214 121.214 119.563 1.651 19002 8364 1 20 . 1 1 72 72 LYS HA H 72 4.283 4.283 4.524 -0.241 19002 8365 1 20 . 1 1 72 72 LYS C C 72 176.553 176.553 175.444 1.109 19002 8366 1 20 . 1 1 72 72 LYS CA C 72 56.594 56.594 55.372 1.222 19002 8367 1 20 . 1 1 72 72 LYS CB C 72 32.765 32.765 32.436 0.329 19002 8368 1 20 . 1 1 72 72 LYS H H 72 8.372 8.372 8.274 0.098 19002 8369 1 20 . 1 1 73 73 ALA N N 73 124.187 124.187 123.953 0.234 19002 8370 1 20 . 1 1 73 73 ALA HA H 73 4.347 4.347 4.408 -0.061 19002 8371 1 20 . 1 1 73 73 ALA C C 73 178.009 178.009 177.570 0.439 19002 8372 1 20 . 1 1 73 73 ALA CA C 73 52.597 52.597 51.976 0.621 19002 8373 1 20 . 1 1 73 73 ALA CB C 73 19.239 19.239 18.907 0.332 19002 8374 1 20 . 1 1 73 73 ALA H H 73 8.188 8.188 8.267 -0.079 19002 8375 1 20 . 1 1 74 74 THR N N 74 112.973 112.973 111.425 1.548 19002 8376 1 20 . 1 1 74 74 THR HA H 74 4.339 4.339 4.423 -0.084 19002 8377 1 20 . 1 1 74 74 THR C C 74 174.753 174.753 175.273 -0.520 19002 8378 1 20 . 1 1 74 74 THR CA C 74 62.046 62.046 60.991 1.055 19002 8379 1 20 . 1 1 74 74 THR CB C 74 69.779 69.779 69.745 0.035 19002 8380 1 20 . 1 1 74 74 THR H H 74 8.054 8.054 7.593 0.461 19002 8381 1 20 . 1 1 75 75 ARG N N 75 123.112 123.112 124.339 -1.227 19002 8382 1 20 . 1 1 75 75 ARG HA H 75 4.371 4.371 4.252 0.119 19002 8383 1 20 . 1 1 75 75 ARG C C 75 176.411 176.411 176.083 0.328 19002 8384 1 20 . 1 1 75 75 ARG CA C 75 56.801 56.801 55.963 0.838 19002 8385 1 20 . 1 1 75 75 ARG CB C 75 30.798 30.798 30.217 0.581 19002 8386 1 20 . 1 1 75 75 ARG H H 75 8.296 8.296 8.509 -0.213 19002 8387 1 20 . 1 1 76 76 ARG N N 76 121.977 121.977 120.159 1.818 19002 8388 1 20 . 1 1 76 76 ARG HA H 76 4.362 4.362 4.158 0.204 19002 8389 1 20 . 1 1 76 76 ARG C C 76 176.411 176.411 174.455 1.956 19002 8390 1 20 . 1 1 76 76 ARG CA C 76 56.689 56.689 56.007 0.682 19002 8391 1 20 . 1 1 76 76 ARG CB C 76 30.873 30.873 28.284 2.589 19002 8392 1 20 . 1 1 76 76 ARG H H 76 8.360 8.360 8.443 -0.083 19002 8393 1 20 . 1 1 77 77 SER N N 77 116.981 116.981 113.856 3.125 19002 8394 1 20 . 1 1 77 77 SER HA H 77 4.483 4.483 4.491 -0.008 19002 8395 1 20 . 1 1 77 77 SER C C 77 174.672 174.672 175.045 -0.373 19002 8396 1 20 . 1 1 77 77 SER CA C 77 58.497 58.497 58.798 -0.301 19002 8397 1 20 . 1 1 77 77 SER CB C 77 63.839 63.839 63.599 0.240 19002 8398 1 20 . 1 1 77 77 SER H H 77 8.325 8.325 8.197 0.128 19002 8399 1 20 . 1 1 78 78 ARG N N 78 123.324 123.324 124.768 -1.444 19002 8400 1 20 . 1 1 78 78 ARG HA H 78 4.377 4.377 4.630 -0.253 19002 8401 1 20 . 1 1 78 78 ARG C C 78 176.492 176.492 176.044 0.448 19002 8402 1 20 . 1 1 78 78 ARG CA C 78 56.619 56.619 56.501 0.118 19002 8403 1 20 . 1 1 78 78 ARG CB C 78 30.873 30.873 31.071 -0.198 19002 8404 1 20 . 1 1 78 78 ARG H H 78 8.421 8.421 8.884 -0.463 19002 8405 1 20 . 1 1 79 79 LYS N N 79 122.352 122.352 120.667 1.685 19002 8406 1 20 . 1 1 79 79 LYS HA H 79 4.266 4.266 4.530 -0.264 19002 8407 1 20 . 1 1 79 79 LYS C C 79 176.472 176.472 175.695 0.777 19002 8408 1 20 . 1 1 79 79 LYS CA C 79 57.076 57.076 55.481 1.595 19002 8409 1 20 . 1 1 79 79 LYS CB C 79 33.186 33.186 33.174 0.012 19002 8410 1 20 . 1 1 79 79 LYS H H 79 8.300 8.300 7.938 0.362 19002 8411 1 20 . 1 1 80 80 ALA N N 80 124.816 124.816 122.856 1.960 19002 8412 1 20 . 1 1 80 80 ALA HA H 80 4.308 4.308 4.255 0.053 19002 8413 1 20 . 1 1 80 80 ALA C C 80 177.787 177.787 179.336 -1.549 19002 8414 1 20 . 1 1 80 80 ALA CA C 80 52.597 52.597 53.581 -0.984 19002 8415 1 20 . 1 1 80 80 ALA CB C 80 19.180 19.180 18.722 0.458 19002 8416 1 20 . 1 1 80 80 ALA H H 80 8.269 8.269 8.277 -0.008 19002 8417 1 20 . 1 1 81 81 GLU N N 81 120.243 120.243 118.269 1.974 19002 8418 1 20 . 1 1 81 81 GLU HA H 81 4.278 4.278 4.139 0.139 19002 8419 1 20 . 1 1 81 81 GLU C C 81 176.614 176.614 177.675 -1.061 19002 8420 1 20 . 1 1 81 81 GLU CA C 81 56.893 56.893 58.578 -1.685 19002 8421 1 20 . 1 1 81 81 GLU CB C 81 30.374 30.374 29.383 0.991 19002 8422 1 20 . 1 1 81 81 GLU H H 81 8.283 8.283 8.555 -0.272 19002 8423 1 20 . 1 1 82 82 ARG N N 82 121.743 121.743 116.446 5.297 19002 8424 1 20 . 1 1 82 82 ARG HA H 82 4.378 4.378 4.363 0.015 19002 8425 1 20 . 1 1 82 82 ARG C C 82 175.946 175.946 176.110 -0.164 19002 8426 1 20 . 1 1 82 82 ARG CA C 82 56.047 56.047 56.208 -0.161 19002 8427 1 20 . 1 1 82 82 ARG CB C 82 30.757 30.757 30.252 0.506 19002 8428 1 20 . 1 1 82 82 ARG H H 82 8.256 8.256 7.817 0.439 19002 8429 1 20 . 1 1 83 83 ALA N N 83 125.049 125.049 122.425 2.624 19002 8430 1 20 . 1 1 83 83 ALA HA H 83 4.313 4.313 3.978 0.335 19002 8431 1 20 . 1 1 83 83 ALA C C 83 177.322 177.322 177.594 -0.272 19002 8432 1 20 . 1 1 83 83 ALA CA C 83 52.872 52.872 54.749 -1.877 19002 8433 1 20 . 1 1 83 83 ALA CB C 83 19.239 19.239 17.059 2.180 19002 8434 1 20 . 1 1 83 83 ALA H H 83 8.241 8.241 7.899 0.342 19002 8435 1 20 . 1 1 84 84 LYS N N 84 121.088 121.088 119.383 1.705 19002 8436 1 20 . 1 1 84 84 LYS HA H 84 4.286 4.286 4.617 -0.331 19002 8437 1 20 . 1 1 84 84 LYS C C 84 175.460 175.460 176.042 -0.582 19002 8438 1 20 . 1 1 84 84 LYS CA C 84 56.316 56.316 56.365 -0.049 19002 8439 1 20 . 1 1 84 84 LYS CB C 84 32.923 32.923 34.995 -2.071 19002 8440 1 20 . 1 1 84 84 LYS H H 84 8.186 8.186 8.345 -0.159 19002 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 72 2.207 -0.734 2.096 19002 2 1 1 "Average Difference" HA 80 0.215 -0.055 0.209 19002 3 1 1 "Average Difference" C 73 0.895 -0.273 0.858 19002 4 1 1 "Average Difference" CA 73 0.935 -0.199 0.920 19002 5 1 1 "Average Difference" CB 66 1.044 -0.241 1.024 19002 6 1 1 "Average Difference" HN 72 0.389 -0.039 0.390 19002 7 1 2 "Average Difference" N 72 2.101 -0.873 1.924 19002 8 1 2 "Average Difference" HA 80 0.230 -0.037 0.228 19002 9 1 2 "Average Difference" C 73 0.801 -0.203 0.780 19002 10 1 2 "Average Difference" CA 73 0.995 -0.144 0.992 19002 11 1 2 "Average Difference" CB 66 1.006 -0.192 0.995 19002 12 1 2 "Average Difference" HN 72 0.384 -0.051 0.384 19002 13 1 3 "Average Difference" N 72 2.294 -0.679 2.207 19002 14 1 3 "Average Difference" HA 80 0.274 -0.069 0.267 19002 15 1 3 "Average Difference" C 73 0.753 -0.197 0.732 19002 16 1 3 "Average Difference" CA 73 0.898 -0.120 0.897 19002 17 1 3 "Average Difference" CB 66 1.006 -0.361 0.946 19002 18 1 3 "Average Difference" HN 72 0.405 -0.059 0.403 19002 19 1 4 "Average Difference" N 72 2.675 -0.922 2.528 19002 20 1 4 "Average Difference" HA 80 0.242 -0.043 0.240 19002 21 1 4 "Average Difference" C 73 0.806 -0.209 0.784 19002 22 1 4 "Average Difference" CA 73 0.944 -0.219 0.925 19002 23 1 4 "Average Difference" CB 66 0.975 -0.125 0.975 19002 24 1 4 "Average Difference" HN 72 0.427 -0.050 0.427 19002 25 1 5 "Average Difference" N 72 2.241 -0.975 2.032 19002 26 1 5 "Average Difference" HA 80 0.238 -0.072 0.228 19002 27 1 5 "Average Difference" C 73 0.789 -0.172 0.775 19002 28 1 5 "Average Difference" CA 73 0.982 -0.095 0.984 19002 29 1 5 "Average Difference" CB 66 0.994 -0.402 0.916 19002 30 1 5 "Average Difference" HN 72 0.421 -0.055 0.420 19002 31 1 6 "Average Difference" N 72 2.299 -0.964 2.101 19002 32 1 6 "Average Difference" HA 80 0.223 -0.045 0.220 19002 33 1 6 "Average Difference" C 73 0.892 -0.220 0.870 19002 34 1 6 "Average Difference" CA 73 0.915 -0.042 0.920 19002 35 1 6 "Average Difference" CB 66 1.143 -0.280 1.116 19002 36 1 6 "Average Difference" HN 72 0.469 -0.032 0.471 19002 37 1 7 "Average Difference" N 72 2.535 -0.674 2.461 19002 38 1 7 "Average Difference" HA 80 0.236 -0.070 0.227 19002 39 1 7 "Average Difference" C 73 0.817 -0.206 0.796 19002 40 1 7 "Average Difference" CA 73 0.927 -0.251 0.899 19002 41 1 7 "Average Difference" CB 66 1.067 -0.390 1.001 19002 42 1 7 "Average Difference" HN 72 0.460 -0.111 0.450 19002 43 1 8 "Average Difference" N 72 2.341 -0.448 2.313 19002 44 1 8 "Average Difference" HA 80 0.246 -0.061 0.240 19002 45 1 8 "Average Difference" C 73 0.824 -0.245 0.792 19002 46 1 8 "Average Difference" CA 73 0.974 -0.138 0.971 19002 47 1 8 "Average Difference" CB 66 0.916 -0.277 0.880 19002 48 1 8 "Average Difference" HN 72 0.419 -0.026 0.421 19002 49 1 9 "Average Difference" N 72 2.585 -0.916 2.435 19002 50 1 9 "Average Difference" HA 80 0.226 -0.048 0.222 19002 51 1 9 "Average Difference" C 73 0.769 -0.327 0.701 19002 52 1 9 "Average Difference" CA 73 0.923 -0.103 0.924 19002 53 1 9 "Average Difference" CB 66 0.999 -0.214 0.983 19002 54 1 9 "Average Difference" HN 72 0.491 -0.005 0.494 19002 55 1 10 "Average Difference" N 72 2.445 -0.904 2.288 19002 56 1 10 "Average Difference" HA 80 0.234 -0.070 0.225 19002 57 1 10 "Average Difference" C 73 0.837 -0.206 0.816 19002 58 1 10 "Average Difference" CA 73 0.898 -0.039 0.903 19002 59 1 10 "Average Difference" CB 66 1.006 -0.280 0.974 19002 60 1 10 "Average Difference" HN 72 0.389 0.001 0.391 19002 61 1 11 "Average Difference" N 72 2.147 -0.366 2.130 19002 62 1 11 "Average Difference" HA 80 0.256 -0.055 0.251 19002 63 1 11 "Average Difference" C 73 0.735 -0.150 0.725 19002 64 1 11 "Average Difference" CA 73 1.038 -0.047 1.044 19002 65 1 11 "Average Difference" CB 66 1.012 -0.271 0.982 19002 66 1 11 "Average Difference" HN 72 0.411 0.014 0.414 19002 67 1 12 "Average Difference" N 72 2.424 -1.096 2.177 19002 68 1 12 "Average Difference" HA 80 0.221 -0.067 0.211 19002 69 1 12 "Average Difference" C 73 0.898 -0.253 0.867 19002 70 1 12 "Average Difference" CA 73 0.899 0.047 0.904 19002 71 1 12 "Average Difference" CB 66 1.017 -0.276 0.986 19002 72 1 12 "Average Difference" HN 72 0.445 -0.034 0.447 19002 73 1 13 "Average Difference" N 72 2.372 -0.900 2.210 19002 74 1 13 "Average Difference" HA 80 0.224 -0.080 0.210 19002 75 1 13 "Average Difference" C 73 0.698 -0.149 0.686 19002 76 1 13 "Average Difference" CA 73 0.974 -0.242 0.950 19002 77 1 13 "Average Difference" CB 66 1.068 -0.297 1.033 19002 78 1 13 "Average Difference" HN 72 0.390 -0.019 0.393 19002 79 1 14 "Average Difference" N 72 2.503 -0.766 2.400 19002 80 1 14 "Average Difference" HA 80 0.260 -0.093 0.244 19002 81 1 14 "Average Difference" C 73 0.863 -0.217 0.841 19002 82 1 14 "Average Difference" CA 73 1.071 -0.118 1.072 19002 83 1 14 "Average Difference" CB 66 0.950 -0.309 0.905 19002 84 1 14 "Average Difference" HN 72 0.493 -0.033 0.496 19002 85 1 15 "Average Difference" N 72 2.420 -1.019 2.210 19002 86 1 15 "Average Difference" HA 80 0.227 -0.064 0.219 19002 87 1 15 "Average Difference" C 73 0.794 -0.221 0.768 19002 88 1 15 "Average Difference" CA 73 0.784 -0.164 0.772 19002 89 1 15 "Average Difference" CB 66 1.100 -0.388 1.037 19002 90 1 15 "Average Difference" HN 72 0.428 -0.012 0.431 19002 91 1 16 "Average Difference" N 72 2.277 -0.922 2.097 19002 92 1 16 "Average Difference" HA 80 0.224 -0.076 0.212 19002 93 1 16 "Average Difference" C 73 0.786 -0.004 0.791 19002 94 1 16 "Average Difference" CA 73 0.925 0.058 0.929 19002 95 1 16 "Average Difference" CB 66 1.014 -0.437 0.922 19002 96 1 16 "Average Difference" HN 72 0.411 -0.055 0.411 19002 97 1 17 "Average Difference" N 72 2.374 -1.002 2.167 19002 98 1 17 "Average Difference" HA 80 0.248 -0.098 0.229 19002 99 1 17 "Average Difference" C 73 0.816 -0.169 0.804 19002 100 1 17 "Average Difference" CA 73 0.938 -0.027 0.944 19002 101 1 17 "Average Difference" CB 66 0.943 -0.289 0.904 19002 102 1 17 "Average Difference" HN 72 0.437 -0.095 0.430 19002 103 1 18 "Average Difference" N 72 2.417 -0.352 2.408 19002 104 1 18 "Average Difference" HA 80 0.242 -0.035 0.241 19002 105 1 18 "Average Difference" C 73 0.883 -0.325 0.827 19002 106 1 18 "Average Difference" CA 73 0.834 -0.223 0.809 19002 107 1 18 "Average Difference" CB 66 0.942 -0.134 0.940 19002 108 1 18 "Average Difference" HN 72 0.406 0.010 0.408 19002 109 1 19 "Average Difference" N 72 2.587 -0.489 2.558 19002 110 1 19 "Average Difference" HA 80 0.228 -0.072 0.218 19002 111 1 19 "Average Difference" C 73 0.852 -0.224 0.828 19002 112 1 19 "Average Difference" CA 73 0.934 -0.035 0.940 19002 113 1 19 "Average Difference" CB 66 1.064 -0.251 1.042 19002 114 1 19 "Average Difference" HN 72 0.452 0.018 0.454 19002 115 1 20 "Average Difference" N 72 2.245 -0.780 2.120 19002 116 1 20 "Average Difference" HA 80 0.211 -0.079 0.198 19002 117 1 20 "Average Difference" C 73 0.783 -0.135 0.776 19002 118 1 20 "Average Difference" CA 73 0.933 -0.094 0.935 19002 119 1 20 "Average Difference" CB 66 0.985 -0.362 0.923 19002 120 1 20 "Average Difference" HN 72 0.400 -0.034 0.401 19002 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 19002 _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 12 12 ARG N N 12 121.400 121.400 122.064 -0.664 19002 2 1 . 1 1 12 12 ARG HA H 12 4.640 4.640 4.617 0.023 19002 3 1 . 1 1 12 12 ARG C C 12 174.242 174.242 174.378 -0.136 19002 4 1 . 1 1 12 12 ARG CA C 12 53.900 53.900 54.601 -0.701 19002 5 1 . 1 1 12 12 ARG CB C 12 30.400 30.400 30.952 -0.552 19002 6 1 . 1 1 12 12 ARG H H 12 8.140 8.140 8.339 -0.199 19002 7 1 . 1 1 13 13 PRO HA H 13 4.457 4.457 4.536 -0.079 19002 8 1 . 1 1 13 13 PRO C C 13 177.524 177.524 176.642 0.882 19002 9 1 . 1 1 13 13 PRO CA C 13 63.259 63.259 62.760 0.499 19002 10 1 . 1 1 13 13 PRO CB C 13 32.067 32.067 31.332 0.735 19002 11 1 . 1 1 14 14 GLY N N 14 109.192 109.192 109.403 -0.211 19002 12 1 . 1 1 14 14 GLY C C 14 174.227 174.227 174.965 -0.738 19002 13 1 . 1 1 14 14 GLY CA C 14 45.497 45.497 45.185 0.312 19002 14 1 . 1 1 14 14 GLY H H 14 8.467 8.467 8.263 0.204 19002 15 1 . 1 1 15 15 VAL N N 15 119.157 119.157 118.365 0.792 19002 16 1 . 1 1 15 15 VAL HA H 15 4.081 4.081 4.035 0.046 19002 17 1 . 1 1 15 15 VAL C C 15 175.986 175.986 175.652 0.334 19002 18 1 . 1 1 15 15 VAL CA C 15 62.529 62.529 63.579 -1.050 19002 19 1 . 1 1 15 15 VAL CB C 15 32.491 32.491 32.099 0.392 19002 20 1 . 1 1 15 15 VAL H H 15 7.837 7.837 7.754 0.083 19002 21 1 . 1 1 16 16 PHE N N 16 123.110 123.110 120.484 2.626 19002 22 1 . 1 1 16 16 PHE HA H 16 4.614 4.614 4.591 0.023 19002 23 1 . 1 1 16 16 PHE C C 16 175.804 175.804 174.513 1.291 19002 24 1 . 1 1 16 16 PHE CA C 16 58.398 58.398 57.634 0.764 19002 25 1 . 1 1 16 16 PHE CB C 16 39.475 39.475 39.722 -0.247 19002 26 1 . 1 1 16 16 PHE H H 16 8.265 8.265 7.950 0.315 19002 27 1 . 1 1 17 17 ARG N N 17 122.074 122.074 122.984 -0.909 19002 28 1 . 1 1 17 17 ARG HA H 17 4.323 4.323 4.366 -0.043 19002 29 1 . 1 1 17 17 ARG C C 17 176.452 176.452 175.666 0.786 19002 30 1 . 1 1 17 17 ARG CA C 17 56.710 56.710 55.768 0.942 19002 31 1 . 1 1 17 17 ARG CB C 17 30.937 30.937 29.977 0.960 19002 32 1 . 1 1 17 17 ARG H H 17 8.155 8.155 8.189 -0.034 19002 33 1 . 1 1 18 18 THR N N 18 114.223 114.223 112.705 1.518 19002 34 1 . 1 1 18 18 THR HA H 18 4.231 4.231 4.210 0.021 19002 35 1 . 1 1 18 18 THR C C 18 174.348 174.348 174.744 -0.396 19002 36 1 . 1 1 18 18 THR CA C 18 62.410 62.410 62.220 0.190 19002 37 1 . 1 1 18 18 THR CB C 18 69.509 69.509 69.880 -0.371 19002 38 1 . 1 1 18 18 THR H H 18 8.015 8.015 8.121 -0.106 19002 39 1 . 1 1 19 19 ARG N N 19 120.957 120.957 122.624 -1.667 19002 40 1 . 1 1 19 19 ARG HA H 19 4.323 4.323 4.072 0.251 19002 41 1 . 1 1 19 19 ARG C C 19 175.986 175.986 176.010 -0.024 19002 42 1 . 1 1 19 19 ARG CA C 19 56.093 56.093 56.460 -0.367 19002 43 1 . 1 1 19 19 ARG CB C 19 30.480 30.480 29.185 1.295 19002 44 1 . 1 1 19 19 ARG H H 19 8.080 8.080 8.515 -0.435 19002 45 1 . 1 1 20 20 GLY N N 20 107.963 107.963 106.726 1.237 19002 46 1 . 1 1 20 20 GLY C C 20 173.802 173.802 173.646 0.156 19002 47 1 . 1 1 20 20 GLY CA C 20 45.273 45.273 45.071 0.202 19002 48 1 . 1 1 20 20 GLY H H 20 8.241 8.241 8.134 0.107 19002 49 1 . 1 1 21 21 LEU N N 21 121.181 121.181 122.167 -0.986 19002 50 1 . 1 1 21 21 LEU HA H 21 4.770 4.770 4.425 0.345 19002 51 1 . 1 1 21 21 LEU C C 21 178.414 178.414 177.247 1.167 19002 52 1 . 1 1 21 21 LEU CA C 21 54.677 54.677 55.094 -0.417 19002 53 1 . 1 1 21 21 LEU CB C 21 43.142 43.142 42.632 0.510 19002 54 1 . 1 1 21 21 LEU H H 21 7.967 7.967 7.780 0.187 19002 55 1 . 1 1 22 22 THR N N 22 114.494 114.494 117.551 -3.057 19002 56 1 . 1 1 22 22 THR HA H 22 4.558 4.558 4.395 0.163 19002 57 1 . 1 1 22 22 THR C C 22 175.359 175.359 175.290 0.069 19002 58 1 . 1 1 22 22 THR CA C 22 61.316 61.316 60.994 0.322 19002 59 1 . 1 1 22 22 THR CB C 22 71.015 71.015 70.303 0.712 19002 60 1 . 1 1 22 22 THR H H 22 9.075 9.075 8.563 0.512 19002 61 1 . 1 1 23 23 ASP N N 23 121.204 121.204 120.722 0.482 19002 62 1 . 1 1 23 23 ASP HA H 23 4.485 4.485 4.358 0.127 19002 63 1 . 1 1 23 23 ASP C C 23 178.697 178.697 178.305 0.392 19002 64 1 . 1 1 23 23 ASP CA C 23 58.315 58.315 58.252 0.063 19002 65 1 . 1 1 23 23 ASP CB C 23 39.931 39.931 40.736 -0.805 19002 66 1 . 1 1 23 23 ASP H H 23 8.943 8.943 8.814 0.129 19002 67 1 . 1 1 24 24 GLU N N 24 119.241 119.241 118.762 0.479 19002 68 1 . 1 1 24 24 GLU HA H 24 4.199 4.199 4.135 0.064 19002 69 1 . 1 1 24 24 GLU C C 24 179.911 179.911 179.035 0.876 19002 70 1 . 1 1 24 24 GLU CA C 24 59.973 59.973 59.450 0.523 19002 71 1 . 1 1 24 24 GLU CB C 24 29.306 29.306 29.310 -0.004 19002 72 1 . 1 1 24 24 GLU H H 24 8.741 8.741 8.634 0.107 19002 73 1 . 1 1 25 25 GLU N N 25 121.151 121.151 120.720 0.431 19002 74 1 . 1 1 25 25 GLU HA H 25 4.200 4.200 4.241 -0.041 19002 75 1 . 1 1 25 25 GLU C C 25 178.394 178.394 179.125 -0.731 19002 76 1 . 1 1 25 25 GLU CA C 25 59.178 59.178 59.000 0.178 19002 77 1 . 1 1 25 25 GLU CB C 25 30.873 30.873 29.659 1.214 19002 78 1 . 1 1 25 25 GLU H H 25 7.801 7.801 7.707 0.094 19002 79 1 . 1 1 26 26 TYR N N 26 120.692 120.692 120.765 -0.073 19002 80 1 . 1 1 26 26 TYR HA H 26 4.184 4.184 4.133 0.051 19002 81 1 . 1 1 26 26 TYR C C 26 177.483 177.483 177.553 -0.070 19002 82 1 . 1 1 26 26 TYR CA C 26 61.924 61.924 61.447 0.476 19002 83 1 . 1 1 26 26 TYR CB C 26 37.837 37.837 38.678 -0.841 19002 84 1 . 1 1 26 26 TYR H H 26 8.897 8.897 8.791 0.106 19002 85 1 . 1 1 27 27 ASP N N 27 118.898 118.898 119.522 -0.624 19002 86 1 . 1 1 27 27 ASP HA H 27 4.338 4.338 4.245 0.093 19002 87 1 . 1 1 27 27 ASP C C 27 178.535 178.535 178.122 0.413 19002 88 1 . 1 1 27 27 ASP CA C 27 57.864 57.864 57.969 -0.105 19002 89 1 . 1 1 27 27 ASP CB C 27 40.797 40.797 40.798 -0.001 19002 90 1 . 1 1 27 27 ASP H H 27 8.135 8.135 8.382 -0.247 19002 91 1 . 1 1 28 28 GLU N N 28 121.020 121.020 120.554 0.466 19002 92 1 . 1 1 28 28 GLU HA H 28 4.101 4.101 4.044 0.057 19002 93 1 . 1 1 28 28 GLU C C 28 178.394 178.394 178.572 -0.178 19002 94 1 . 1 1 28 28 GLU CA C 28 59.450 59.450 59.205 0.245 19002 95 1 . 1 1 28 28 GLU CB C 28 29.231 29.231 29.565 -0.334 19002 96 1 . 1 1 28 28 GLU H H 28 7.655 7.655 8.098 -0.443 19002 97 1 . 1 1 29 29 PHE N N 29 121.567 121.567 120.704 0.863 19002 98 1 . 1 1 29 29 PHE HA H 29 3.765 3.765 3.961 -0.196 19002 99 1 . 1 1 29 29 PHE C C 29 176.169 176.169 177.110 -0.941 19002 100 1 . 1 1 29 29 PHE CA C 29 61.371 61.371 60.614 0.757 19002 101 1 . 1 1 29 29 PHE CB C 29 37.588 37.588 38.363 -0.775 19002 102 1 . 1 1 29 29 PHE H H 29 8.471 8.471 8.335 0.136 19002 103 1 . 1 1 30 30 LYS N N 30 118.916 118.916 119.424 -0.508 19002 104 1 . 1 1 30 30 LYS HA H 30 3.137 3.137 3.348 -0.211 19002 105 1 . 1 1 30 30 LYS C C 30 179.445 179.445 178.767 0.678 19002 106 1 . 1 1 30 30 LYS CA C 30 60.346 60.346 59.893 0.453 19002 107 1 . 1 1 30 30 LYS CB C 30 31.992 31.992 31.935 0.057 19002 108 1 . 1 1 30 30 LYS H H 30 8.287 8.287 8.202 0.085 19002 109 1 . 1 1 31 31 LYS N N 31 120.113 120.113 119.336 0.777 19002 110 1 . 1 1 31 31 LYS HA H 31 4.018 4.018 3.877 0.141 19002 111 1 . 1 1 31 31 LYS C C 31 179.918 179.918 179.218 0.700 19002 112 1 . 1 1 31 31 LYS CA C 31 59.700 59.700 59.689 0.011 19002 113 1 . 1 1 31 31 LYS CB C 31 32.300 32.300 32.248 0.052 19002 114 1 . 1 1 31 31 LYS H H 31 7.690 7.690 8.217 -0.527 19002 115 1 . 1 1 32 32 ARG N N 32 121.200 121.200 118.334 2.866 19002 116 1 . 1 1 32 32 ARG HA H 32 3.893 3.893 3.852 0.041 19002 117 1 . 1 1 32 32 ARG C C 32 178.990 178.990 178.684 0.306 19002 118 1 . 1 1 32 32 ARG CA C 32 59.452 59.452 59.331 0.121 19002 119 1 . 1 1 32 32 ARG CB C 32 31.284 31.284 30.097 1.187 19002 120 1 . 1 1 32 32 ARG H H 32 8.299 8.299 8.375 -0.076 19002 121 1 . 1 1 33 33 ARG N N 33 120.223 120.223 120.304 -0.081 19002 122 1 . 1 1 33 33 ARG HA H 33 3.698 3.698 4.000 -0.302 19002 123 1 . 1 1 33 33 ARG C C 33 178.697 178.697 177.878 0.819 19002 124 1 . 1 1 33 33 ARG CA C 33 59.607 59.607 59.235 0.372 19002 125 1 . 1 1 33 33 ARG CB C 33 29.570 29.570 29.815 -0.245 19002 126 1 . 1 1 33 33 ARG H H 33 8.704 8.704 8.355 0.349 19002 127 1 . 1 1 34 34 GLU N N 34 119.860 119.860 119.345 0.516 19002 128 1 . 1 1 34 34 GLU HA H 34 4.046 4.046 3.987 0.059 19002 129 1 . 1 1 34 34 GLU C C 34 179.850 179.850 179.286 0.564 19002 130 1 . 1 1 34 34 GLU CA C 34 59.210 59.210 59.337 -0.127 19002 131 1 . 1 1 34 34 GLU CB C 34 29.380 29.380 29.220 0.160 19002 132 1 . 1 1 34 34 GLU H H 34 7.941 7.941 8.480 -0.539 19002 133 1 . 1 1 35 35 SER N N 35 115.261 115.261 115.785 -0.524 19002 134 1 . 1 1 35 35 SER HA H 35 4.378 4.378 4.226 0.152 19002 135 1 . 1 1 35 35 SER C C 35 175.339 175.339 175.897 -0.558 19002 136 1 . 1 1 35 35 SER CA C 35 60.068 60.068 60.689 -0.621 19002 137 1 . 1 1 35 35 SER CB C 35 63.321 63.321 63.110 0.211 19002 138 1 . 1 1 35 35 SER H H 35 7.813 7.813 7.819 -0.006 19002 139 1 . 1 1 36 36 ARG N N 36 119.557 119.557 119.554 0.003 19002 140 1 . 1 1 36 36 ARG HA H 36 4.439 4.439 4.451 -0.012 19002 141 1 . 1 1 36 36 ARG C C 36 177.524 177.524 175.872 1.652 19002 142 1 . 1 1 36 36 ARG CA C 36 55.794 55.794 54.759 1.035 19002 143 1 . 1 1 36 36 ARG CB C 36 30.276 30.276 30.232 0.044 19002 144 1 . 1 1 36 36 ARG H H 36 7.459 7.459 7.266 0.193 19002 145 1 . 1 1 37 37 GLY N N 37 109.722 109.722 106.699 3.023 19002 146 1 . 1 1 37 37 GLY C C 37 175.117 175.117 175.222 -0.105 19002 147 1 . 1 1 37 37 GLY CA C 37 46.691 46.691 45.554 1.137 19002 148 1 . 1 1 37 37 GLY H H 37 7.981 7.981 7.960 0.021 19002 149 1 . 1 1 38 38 GLY N N 38 104.904 104.904 106.432 -1.528 19002 150 1 . 1 1 38 38 GLY C C 38 174.489 174.489 175.175 -0.686 19002 151 1 . 1 1 38 38 GLY CA C 38 45.012 45.012 44.950 0.062 19002 152 1 . 1 1 38 38 GLY H H 38 8.271 8.271 8.653 -0.382 19002 153 1 . 1 1 39 39 LYS N N 39 122.169 122.169 123.358 -1.189 19002 154 1 . 1 1 39 39 LYS HA H 39 4.515 4.515 4.411 0.104 19002 155 1 . 1 1 39 39 LYS C C 39 174.995 174.995 175.115 -0.120 19002 156 1 . 1 1 39 39 LYS CA C 39 55.622 55.622 55.827 -0.205 19002 157 1 . 1 1 39 39 LYS CB C 39 30.846 30.846 31.468 -0.622 19002 158 1 . 1 1 39 39 LYS H H 39 7.471 7.471 7.588 -0.117 19002 159 1 . 1 1 40 40 TYR N N 40 123.749 123.749 122.716 1.033 19002 160 1 . 1 1 40 40 TYR HA H 40 4.893 4.893 4.671 0.222 19002 161 1 . 1 1 40 40 TYR C C 40 173.883 173.883 173.847 0.036 19002 162 1 . 1 1 40 40 TYR CA C 40 58.629 58.629 57.068 1.561 19002 163 1 . 1 1 40 40 TYR CB C 40 40.871 40.871 40.446 0.425 19002 164 1 . 1 1 40 40 TYR H H 40 7.687 7.687 8.100 -0.413 19002 165 1 . 1 1 41 41 SER N N 41 124.561 124.561 121.700 2.861 19002 166 1 . 1 1 41 41 SER HA H 41 5.061 5.061 4.681 0.380 19002 167 1 . 1 1 41 41 SER C C 41 175.258 175.258 175.036 0.222 19002 168 1 . 1 1 41 41 SER CA C 41 56.913 56.913 57.221 -0.308 19002 169 1 . 1 1 41 41 SER CB C 41 67.136 67.136 64.560 2.576 19002 170 1 . 1 1 41 41 SER H H 41 9.246 9.246 8.433 0.813 19002 171 1 . 1 1 42 42 ILE N N 42 122.298 122.298 121.714 0.584 19002 172 1 . 1 1 42 42 ILE HA H 42 3.384 3.384 3.180 0.204 19002 173 1 . 1 1 42 42 ILE C C 42 176.573 176.573 176.676 -0.103 19002 174 1 . 1 1 42 42 ILE CA C 42 63.317 63.317 63.817 -0.500 19002 175 1 . 1 1 42 42 ILE CB C 42 37.290 37.290 37.796 -0.506 19002 176 1 . 1 1 42 42 ILE H H 42 8.848 8.848 8.776 0.072 19002 177 1 . 1 1 43 43 ASP N N 43 118.987 118.987 119.312 -0.325 19002 178 1 . 1 1 43 43 ASP HA H 43 4.317 4.317 4.220 0.097 19002 179 1 . 1 1 43 43 ASP C C 43 178.940 178.940 178.027 0.913 19002 180 1 . 1 1 43 43 ASP CA C 43 57.809 57.809 58.257 -0.448 19002 181 1 . 1 1 43 43 ASP CB C 43 40.722 40.722 39.738 0.984 19002 182 1 . 1 1 43 43 ASP H H 43 7.673 7.673 8.499 -0.826 19002 183 1 . 1 1 44 44 ASP N N 44 121.961 121.961 119.633 2.328 19002 184 1 . 1 1 44 44 ASP HA H 44 4.259 4.259 4.331 -0.072 19002 185 1 . 1 1 44 44 ASP C C 44 177.564 177.564 178.141 -0.577 19002 186 1 . 1 1 44 44 ASP CA C 44 57.624 57.624 57.153 0.471 19002 187 1 . 1 1 44 44 ASP CB C 44 41.244 41.244 40.463 0.781 19002 188 1 . 1 1 44 44 ASP H H 44 7.610 7.610 7.956 -0.346 19002 189 1 . 1 1 45 45 TYR N N 45 121.352 121.352 121.605 -0.253 19002 190 1 . 1 1 45 45 TYR HA H 45 4.676 4.676 4.478 0.198 19002 191 1 . 1 1 45 45 TYR C C 45 177.362 177.362 177.710 -0.348 19002 192 1 . 1 1 45 45 TYR CA C 45 60.703 60.703 61.093 -0.390 19002 193 1 . 1 1 45 45 TYR CB C 45 38.747 38.747 38.838 -0.091 19002 194 1 . 1 1 45 45 TYR H H 45 7.750 7.750 7.263 0.487 19002 195 1 . 1 1 46 46 LEU N N 46 118.650 118.650 119.316 -0.666 19002 196 1 . 1 1 46 46 LEU HA H 46 3.697 3.697 3.743 -0.046 19002 197 1 . 1 1 46 46 LEU C C 46 179.850 179.850 178.938 0.912 19002 198 1 . 1 1 46 46 LEU CA C 46 57.807 57.807 57.604 0.203 19002 199 1 . 1 1 46 46 LEU CB C 46 41.205 41.205 41.372 -0.167 19002 200 1 . 1 1 46 46 LEU H H 46 8.544 8.544 8.828 -0.284 19002 201 1 . 1 1 47 47 ALA N N 47 121.991 121.991 121.374 0.617 19002 202 1 . 1 1 47 47 ALA HA H 47 4.190 4.190 3.927 0.263 19002 203 1 . 1 1 47 47 ALA C C 47 180.457 180.457 179.173 1.284 19002 204 1 . 1 1 47 47 ALA CA C 47 55.048 55.048 55.255 -0.207 19002 205 1 . 1 1 47 47 ALA CB C 47 18.337 18.337 18.088 0.249 19002 206 1 . 1 1 47 47 ALA H H 47 7.716 7.716 8.271 -0.555 19002 207 1 . 1 1 48 48 ASP N N 48 120.788 120.788 118.255 2.533 19002 208 1 . 1 1 48 48 ASP HA H 48 4.505 4.505 4.407 0.098 19002 209 1 . 1 1 48 48 ASP C C 48 178.596 178.596 178.081 0.515 19002 210 1 . 1 1 48 48 ASP CA C 48 57.361 57.361 56.618 0.743 19002 211 1 . 1 1 48 48 ASP CB C 48 40.076 40.076 41.090 -1.014 19002 212 1 . 1 1 48 48 ASP H H 48 8.316 8.316 7.558 0.758 19002 213 1 . 1 1 49 49 ARG N N 49 120.274 120.274 120.485 -0.211 19002 214 1 . 1 1 49 49 ARG HA H 49 3.952 3.952 3.932 0.020 19002 215 1 . 1 1 49 49 ARG C C 49 178.454 178.454 178.312 0.142 19002 216 1 . 1 1 49 49 ARG CA C 49 58.133 58.133 58.855 -0.722 19002 217 1 . 1 1 49 49 ARG CB C 49 29.231 29.231 29.983 -0.752 19002 218 1 . 1 1 49 49 ARG H H 49 8.459 8.459 8.198 0.261 19002 219 1 . 1 1 50 50 GLU N N 50 118.834 118.834 117.426 1.408 19002 220 1 . 1 1 50 50 GLU HA H 50 4.101 4.101 4.086 0.015 19002 221 1 . 1 1 50 50 GLU C C 50 178.353 178.353 178.839 -0.486 19002 222 1 . 1 1 50 50 GLU CA C 50 58.928 58.928 59.009 -0.081 19002 223 1 . 1 1 50 50 GLU CB C 50 29.530 29.530 29.027 0.503 19002 224 1 . 1 1 50 50 GLU H H 50 7.734 7.734 8.134 -0.400 19002 225 1 . 1 1 51 51 ARG N N 51 119.239 119.239 118.135 1.104 19002 226 1 . 1 1 51 51 ARG HA H 51 4.240 4.240 4.201 0.039 19002 227 1 . 1 1 51 51 ARG C C 51 178.370 178.370 178.630 -0.260 19002 228 1 . 1 1 51 51 ARG CA C 51 58.105 58.105 58.478 -0.373 19002 229 1 . 1 1 51 51 ARG CB C 51 30.649 30.649 30.364 0.285 19002 230 1 . 1 1 51 51 ARG H H 51 7.694 7.694 7.377 0.317 19002 231 1 . 1 1 52 52 GLU N N 52 119.667 119.667 119.758 -0.091 19002 232 1 . 1 1 52 52 GLU HA H 52 4.099 4.099 3.984 0.115 19002 233 1 . 1 1 52 52 GLU C C 52 178.370 178.370 178.805 -0.435 19002 234 1 . 1 1 52 52 GLU CA C 52 58.538 58.538 59.287 -0.749 19002 235 1 . 1 1 52 52 GLU CB C 52 29.661 29.661 29.058 0.603 19002 236 1 . 1 1 52 52 GLU H H 52 8.299 8.299 8.267 0.032 19002 237 1 . 1 1 53 53 GLU N N 53 119.152 119.152 118.084 1.068 19002 238 1 . 1 1 53 53 GLU HA H 53 4.210 4.210 4.018 0.192 19002 239 1 . 1 1 53 53 GLU C C 53 177.740 177.740 178.705 -0.965 19002 240 1 . 1 1 53 53 GLU CA C 53 58.172 58.172 59.113 -0.941 19002 241 1 . 1 1 53 53 GLU CB C 53 29.530 29.530 29.314 0.216 19002 242 1 . 1 1 53 53 GLU H H 53 8.098 8.098 8.098 0.000 19002 243 1 . 1 1 54 54 GLU N N 54 120.097 120.097 117.222 2.875 19002 244 1 . 1 1 54 54 GLU HA H 54 4.212 4.212 4.246 -0.034 19002 245 1 . 1 1 54 54 GLU C C 54 177.443 177.443 178.069 -0.626 19002 246 1 . 1 1 54 54 GLU CA C 54 58.081 58.081 57.997 0.084 19002 247 1 . 1 1 54 54 GLU CB C 54 29.788 29.788 29.669 0.119 19002 248 1 . 1 1 54 54 GLU H H 54 7.968 7.968 7.787 0.181 19002 249 1 . 1 1 55 55 LEU N N 55 120.563 120.563 119.191 1.372 19002 250 1 . 1 1 55 55 LEU HA H 55 4.288 4.288 4.275 0.013 19002 251 1 . 1 1 55 55 LEU C C 55 177.735 177.735 178.077 -0.342 19002 252 1 . 1 1 55 55 LEU CA C 55 56.070 56.070 55.894 0.176 19002 253 1 . 1 1 55 55 LEU CB C 55 42.062 42.062 42.150 -0.088 19002 254 1 . 1 1 55 55 LEU H H 55 7.905 7.905 7.426 0.479 19002 255 1 . 1 1 56 56 LEU N N 56 121.250 121.250 118.256 2.994 19002 256 1 . 1 1 56 56 LEU HA H 56 4.312 4.312 4.179 0.133 19002 257 1 . 1 1 56 56 LEU C C 56 177.726 177.726 177.340 0.386 19002 258 1 . 1 1 56 56 LEU CA C 56 55.979 55.979 56.320 -0.341 19002 259 1 . 1 1 56 56 LEU CB C 56 42.635 42.635 42.263 0.372 19002 260 1 . 1 1 56 56 LEU H H 56 7.859 7.859 7.783 0.076 19002 261 1 . 1 1 57 57 GLU N N 57 120.632 120.632 117.164 3.468 19002 262 1 . 1 1 57 57 GLU HA H 57 4.283 4.283 4.377 -0.094 19002 263 1 . 1 1 57 57 GLU C C 57 176.553 176.553 175.544 1.009 19002 264 1 . 1 1 57 57 GLU CA C 57 57.076 57.076 56.022 1.054 19002 265 1 . 1 1 57 57 GLU CB C 57 30.052 30.052 30.076 -0.024 19002 266 1 . 1 1 57 57 GLU H H 57 8.153 8.153 8.022 0.131 19002 267 1 . 1 1 58 58 ARG N N 58 121.282 121.282 122.272 -0.990 19002 268 1 . 1 1 58 58 ARG HA H 58 4.372 4.372 4.441 -0.069 19002 269 1 . 1 1 58 58 ARG C C 58 176.169 176.169 176.097 0.072 19002 270 1 . 1 1 58 58 ARG CA C 58 56.344 56.344 55.906 0.438 19002 271 1 . 1 1 58 58 ARG CB C 58 31.102 31.102 31.269 -0.167 19002 272 1 . 1 1 58 58 ARG H H 58 8.146 8.146 8.308 -0.163 19002 273 1 . 1 1 59 59 ASP N N 59 121.619 121.619 121.595 0.024 19002 274 1 . 1 1 59 59 ASP HA H 59 4.639 4.639 4.522 0.117 19002 275 1 . 1 1 59 59 ASP C C 59 176.553 176.553 176.813 -0.260 19002 276 1 . 1 1 59 59 ASP CA C 59 54.768 54.768 56.615 -1.847 19002 277 1 . 1 1 59 59 ASP CB C 59 41.256 41.256 40.556 0.700 19002 278 1 . 1 1 59 59 ASP H H 59 8.386 8.386 8.722 -0.336 19002 279 1 . 1 1 60 60 GLU N N 60 121.214 121.214 118.664 2.550 19002 280 1 . 1 1 60 60 GLU HA H 60 4.273 4.273 4.162 0.112 19002 281 1 . 1 1 60 60 GLU C C 60 176.876 176.876 177.353 -0.477 19002 282 1 . 1 1 60 60 GLU CA C 60 57.361 57.361 57.792 -0.431 19002 283 1 . 1 1 60 60 GLU CB C 60 30.425 30.425 29.347 1.078 19002 284 1 . 1 1 60 60 GLU H H 60 8.372 8.372 8.345 0.027 19002 285 1 . 1 1 61 61 GLU N N 61 121.077 121.077 118.989 2.088 19002 286 1 . 1 1 61 61 GLU HA H 61 4.210 4.210 4.189 0.021 19002 287 1 . 1 1 61 61 GLU C C 61 176.832 176.832 176.810 0.022 19002 288 1 . 1 1 61 61 GLU CA C 61 57.734 57.734 57.948 -0.214 19002 289 1 . 1 1 61 61 GLU CB C 61 30.425 30.425 30.092 0.333 19002 290 1 . 1 1 61 61 GLU H H 61 8.384 8.384 7.927 0.457 19002 291 1 . 1 1 62 62 GLU N N 62 121.155 121.155 117.017 4.138 19002 292 1 . 1 1 62 62 GLU HA H 62 4.249 4.249 4.267 -0.018 19002 293 1 . 1 1 62 62 GLU C C 62 176.432 176.432 174.960 1.472 19002 294 1 . 1 1 62 62 GLU CA C 62 57.137 57.137 56.542 0.595 19002 295 1 . 1 1 62 62 GLU CB C 62 30.425 30.425 30.822 -0.397 19002 296 1 . 1 1 62 62 GLU H H 62 8.300 8.300 7.867 0.433 19002 297 1 . 1 1 63 63 ALA N N 63 124.607 124.607 122.914 1.693 19002 298 1 . 1 1 63 63 ALA HA H 63 4.293 4.293 4.319 -0.026 19002 299 1 . 1 1 63 63 ALA C C 63 177.483 177.483 176.572 0.911 19002 300 1 . 1 1 63 63 ALA CA C 63 52.915 52.915 52.583 0.332 19002 301 1 . 1 1 63 63 ALA CB C 63 19.070 19.070 18.193 0.877 19002 302 1 . 1 1 63 63 ALA H H 63 8.178 8.178 8.480 -0.302 19002 303 1 . 1 1 64 64 ILE N N 64 118.941 118.941 119.345 -0.404 19002 304 1 . 1 1 64 64 ILE HA H 64 4.076 4.076 4.104 -0.028 19002 305 1 . 1 1 64 64 ILE C C 64 176.047 176.047 176.244 -0.197 19002 306 1 . 1 1 64 64 ILE CA C 64 61.342 61.342 62.008 -0.666 19002 307 1 . 1 1 64 64 ILE CB C 64 38.700 38.700 38.835 -0.135 19002 308 1 . 1 1 64 64 ILE H H 64 7.872 7.872 8.113 -0.241 19002 309 1 . 1 1 65 65 PHE N N 65 122.809 122.809 118.666 4.143 19002 310 1 . 1 1 65 65 PHE HA H 65 4.615 4.615 4.730 -0.115 19002 311 1 . 1 1 65 65 PHE C C 65 176.270 176.270 176.150 0.120 19002 312 1 . 1 1 65 65 PHE CA C 65 57.807 57.807 57.300 0.507 19002 313 1 . 1 1 65 65 PHE CB C 65 39.827 39.827 38.783 1.044 19002 314 1 . 1 1 65 65 PHE H H 65 8.188 8.188 7.949 0.239 19002 315 1 . 1 1 66 66 GLY N N 66 110.278 110.278 109.543 0.735 19002 316 1 . 1 1 66 66 GLY C C 66 173.802 173.802 173.329 0.473 19002 317 1 . 1 1 66 66 GLY CA C 66 45.391 45.391 44.889 0.502 19002 318 1 . 1 1 66 66 GLY H H 66 8.213 8.213 7.750 0.463 19002 319 1 . 1 1 67 67 ASP N N 67 120.510 120.510 120.599 -0.090 19002 320 1 . 1 1 67 67 ASP HA H 67 4.599 4.599 4.524 0.075 19002 321 1 . 1 1 67 67 ASP C C 67 176.897 176.897 176.190 0.707 19002 322 1 . 1 1 67 67 ASP CA C 67 54.425 54.425 54.494 -0.069 19002 323 1 . 1 1 67 67 ASP CB C 67 41.265 41.265 41.135 0.130 19002 324 1 . 1 1 67 67 ASP H H 67 8.254 8.254 8.268 -0.013 19002 325 1 . 1 1 68 68 GLY N N 68 108.789 108.789 107.692 1.097 19002 326 1 . 1 1 68 68 GLY C C 68 174.307 174.307 172.942 1.365 19002 327 1 . 1 1 68 68 GLY CA C 68 46.020 46.020 44.725 1.295 19002 328 1 . 1 1 68 68 GLY H H 68 8.342 8.342 7.798 0.543 19002 329 1 . 1 1 69 69 PHE N N 69 119.903 119.903 116.570 3.333 19002 330 1 . 1 1 69 69 PHE HA H 69 4.599 4.599 4.881 -0.283 19002 331 1 . 1 1 69 69 PHE C C 69 176.432 176.432 175.672 0.760 19002 332 1 . 1 1 69 69 PHE CA C 69 58.146 58.146 55.927 2.219 19002 333 1 . 1 1 69 69 PHE CB C 69 39.339 39.339 39.445 -0.106 19002 334 1 . 1 1 69 69 PHE H H 69 8.178 8.178 7.793 0.385 19002 335 1 . 1 1 70 70 GLY N N 70 110.089 110.089 109.762 0.327 19002 336 1 . 1 1 70 70 GLY C C 70 174.227 174.227 174.423 -0.196 19002 337 1 . 1 1 70 70 GLY CA C 70 45.628 45.628 45.387 0.241 19002 338 1 . 1 1 70 70 GLY H H 70 8.382 8.382 8.593 -0.211 19002 339 1 . 1 1 71 71 LEU N N 71 121.600 121.600 120.187 1.413 19002 340 1 . 1 1 71 71 LEU HA H 71 4.290 4.290 4.342 -0.052 19002 341 1 . 1 1 71 71 LEU C C 71 177.645 177.645 177.060 0.585 19002 342 1 . 1 1 71 71 LEU CA C 71 55.500 55.500 55.851 -0.351 19002 343 1 . 1 1 71 71 LEU CB C 71 42.400 42.400 42.446 -0.046 19002 344 1 . 1 1 71 71 LEU H H 71 8.069 8.069 7.961 0.108 19002 345 1 . 1 1 72 72 LYS N N 72 121.214 121.214 118.072 3.142 19002 346 1 . 1 1 72 72 LYS HA H 72 4.283 4.283 4.318 -0.035 19002 347 1 . 1 1 72 72 LYS C C 72 176.553 176.553 175.835 0.718 19002 348 1 . 1 1 72 72 LYS CA C 72 56.594 56.594 56.557 0.037 19002 349 1 . 1 1 72 72 LYS CB C 72 32.765 32.765 32.639 0.126 19002 350 1 . 1 1 72 72 LYS H H 72 8.372 8.372 8.249 0.123 19002 351 1 . 1 1 73 73 ALA N N 73 124.187 124.187 123.390 0.797 19002 352 1 . 1 1 73 73 ALA HA H 73 4.347 4.347 4.510 -0.163 19002 353 1 . 1 1 73 73 ALA C C 73 178.009 178.009 177.238 0.771 19002 354 1 . 1 1 73 73 ALA CA C 73 52.597 52.597 52.435 0.162 19002 355 1 . 1 1 73 73 ALA CB C 73 19.239 19.239 19.426 -0.187 19002 356 1 . 1 1 73 73 ALA H H 73 8.188 8.188 8.146 0.042 19002 357 1 . 1 1 74 74 THR N N 74 112.973 112.973 114.654 -1.681 19002 358 1 . 1 1 74 74 THR HA H 74 4.339 4.339 4.291 0.048 19002 359 1 . 1 1 74 74 THR C C 74 174.753 174.753 174.700 0.053 19002 360 1 . 1 1 74 74 THR CA C 74 62.046 62.046 62.266 -0.220 19002 361 1 . 1 1 74 74 THR CB C 74 69.779 69.779 69.050 0.729 19002 362 1 . 1 1 74 74 THR H H 74 8.054 8.054 8.104 -0.050 19002 363 1 . 1 1 75 75 ARG N N 75 123.112 123.112 123.787 -0.675 19002 364 1 . 1 1 75 75 ARG HA H 75 4.371 4.371 4.270 0.101 19002 365 1 . 1 1 75 75 ARG C C 75 176.411 176.411 176.036 0.375 19002 366 1 . 1 1 75 75 ARG CA C 75 56.801 56.801 56.110 0.691 19002 367 1 . 1 1 75 75 ARG CB C 75 30.798 30.798 29.260 1.538 19002 368 1 . 1 1 75 75 ARG H H 75 8.296 8.296 8.539 -0.243 19002 369 1 . 1 1 76 76 ARG N N 76 121.977 121.977 120.830 1.147 19002 370 1 . 1 1 76 76 ARG HA H 76 4.362 4.362 4.382 -0.020 19002 371 1 . 1 1 76 76 ARG C C 76 176.411 176.411 176.314 0.097 19002 372 1 . 1 1 76 76 ARG CA C 76 56.689 56.689 56.171 0.518 19002 373 1 . 1 1 76 76 ARG CB C 76 30.873 30.873 30.157 0.716 19002 374 1 . 1 1 76 76 ARG H H 76 8.360 8.360 8.168 0.192 19002 375 1 . 1 1 77 77 SER N N 77 116.981 116.981 117.202 -0.221 19002 376 1 . 1 1 77 77 SER HA H 77 4.483 4.483 4.511 -0.028 19002 377 1 . 1 1 77 77 SER C C 77 174.672 174.672 174.753 -0.081 19002 378 1 . 1 1 77 77 SER CA C 77 58.497 58.497 58.234 0.263 19002 379 1 . 1 1 77 77 SER CB C 77 63.839 63.839 62.786 1.053 19002 380 1 . 1 1 77 77 SER H H 77 8.325 8.325 8.306 0.019 19002 381 1 . 1 1 78 78 ARG N N 78 123.324 123.324 123.115 0.209 19002 382 1 . 1 1 78 78 ARG HA H 78 4.377 4.377 4.276 0.101 19002 383 1 . 1 1 78 78 ARG C C 78 176.492 176.492 176.629 -0.137 19002 384 1 . 1 1 78 78 ARG CA C 78 56.619 56.619 57.517 -0.898 19002 385 1 . 1 1 78 78 ARG CB C 78 30.873 30.873 30.445 0.428 19002 386 1 . 1 1 78 78 ARG H H 78 8.421 8.421 8.177 0.244 19002 387 1 . 1 1 79 79 LYS N N 79 122.352 122.352 119.101 3.251 19002 388 1 . 1 1 79 79 LYS HA H 79 4.266 4.266 4.352 -0.086 19002 389 1 . 1 1 79 79 LYS C C 79 176.472 176.472 175.949 0.523 19002 390 1 . 1 1 79 79 LYS CA C 79 57.076 57.076 56.527 0.549 19002 391 1 . 1 1 79 79 LYS CB C 79 33.186 33.186 32.012 1.174 19002 392 1 . 1 1 79 79 LYS H H 79 8.300 8.300 8.271 0.030 19002 393 1 . 1 1 80 80 ALA N N 80 124.816 124.816 123.255 1.561 19002 394 1 . 1 1 80 80 ALA HA H 80 4.308 4.308 4.419 -0.111 19002 395 1 . 1 1 80 80 ALA C C 80 177.787 177.787 177.652 0.135 19002 396 1 . 1 1 80 80 ALA CA C 80 52.597 52.597 52.498 0.099 19002 397 1 . 1 1 80 80 ALA CB C 80 19.180 19.180 18.674 0.506 19002 398 1 . 1 1 80 80 ALA H H 80 8.269 8.269 7.940 0.329 19002 399 1 . 1 1 81 81 GLU N N 81 120.243 120.243 120.278 -0.035 19002 400 1 . 1 1 81 81 GLU HA H 81 4.278 4.278 4.234 0.044 19002 401 1 . 1 1 81 81 GLU C C 81 176.614 176.614 176.851 -0.237 19002 402 1 . 1 1 81 81 GLU CA C 81 56.893 56.893 57.142 -0.249 19002 403 1 . 1 1 81 81 GLU CB C 81 30.374 30.374 29.817 0.557 19002 404 1 . 1 1 81 81 GLU H H 81 8.283 8.283 8.287 -0.005 19002 405 1 . 1 1 82 82 ARG N N 82 121.743 121.743 121.013 0.730 19002 406 1 . 1 1 82 82 ARG HA H 82 4.378 4.378 4.376 0.002 19002 407 1 . 1 1 82 82 ARG C C 82 175.946 175.946 175.726 0.220 19002 408 1 . 1 1 82 82 ARG CA C 82 56.047 56.047 55.777 0.270 19002 409 1 . 1 1 82 82 ARG CB C 82 30.757 30.757 29.605 1.152 19002 410 1 . 1 1 82 82 ARG H H 82 8.256 8.256 8.166 0.090 19002 411 1 . 1 1 83 83 ALA N N 83 125.049 125.049 124.687 0.362 19002 412 1 . 1 1 83 83 ALA HA H 83 4.313 4.313 4.315 -0.002 19002 413 1 . 1 1 83 83 ALA C C 83 177.322 177.322 177.569 -0.247 19002 414 1 . 1 1 83 83 ALA CA C 83 52.872 52.872 53.102 -0.230 19002 415 1 . 1 1 83 83 ALA CB C 83 19.239 19.239 19.124 0.115 19002 416 1 . 1 1 83 83 ALA H H 83 8.241 8.241 8.195 0.046 19002 417 1 . 1 1 84 84 LYS N N 84 121.088 121.088 119.669 1.418 19002 418 1 . 1 1 84 84 LYS HA H 84 4.286 4.286 4.470 -0.184 19002 419 1 . 1 1 84 84 LYS C C 84 175.460 175.460 175.707 -0.247 19002 420 1 . 1 1 84 84 LYS CA C 84 56.316 56.316 56.141 0.175 19002 421 1 . 1 1 84 84 LYS CB C 84 32.923 32.923 32.280 0.643 19002 422 1 . 1 1 84 84 LYS H H 84 8.186 8.186 8.283 -0.097 19002 stop_ save_