data_18805 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18805 _Entry.PDB_ID 2M0C 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 18805 _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 16 16 PHE HA H 16 5.000 5.000 5.549 -0.549 18805 2 1 1 . 1 1 16 16 PHE C C 16 176.744 176.744 175.934 0.810 18805 3 1 1 . 1 1 16 16 PHE CA C 16 57.425 57.425 56.096 1.329 18805 4 1 1 . 1 1 16 16 PHE CB C 16 41.475 41.475 41.877 -0.402 18805 5 1 1 . 1 1 16 16 PHE H H 16 9.114 9.114 7.522 1.592 18805 6 1 1 . 1 1 17 17 THR N N 17 113.394 113.394 114.121 -0.727 18805 7 1 1 . 1 1 17 17 THR HA H 17 4.552 4.552 4.855 -0.303 18805 8 1 1 . 1 1 17 17 THR C C 17 175.352 175.352 175.399 -0.047 18805 9 1 1 . 1 1 17 17 THR CA C 17 60.392 60.392 59.188 1.204 18805 10 1 1 . 1 1 17 17 THR CB C 17 71.013 71.013 70.003 1.010 18805 11 1 1 . 1 1 17 17 THR H H 17 9.106 9.106 8.613 0.493 18805 12 1 1 . 1 1 18 18 SER HA H 18 4.146 4.146 4.155 -0.009 18805 13 1 1 . 1 1 18 18 SER C C 18 176.860 176.860 175.849 1.011 18805 14 1 1 . 1 1 18 18 SER CA C 18 62.173 62.173 62.248 -0.075 18805 15 1 1 . 1 1 18 18 SER CB C 18 62.172 62.172 63.005 -0.833 18805 16 1 1 . 1 1 19 19 TYR N N 19 121.561 121.561 122.104 -0.543 18805 17 1 1 . 1 1 19 19 TYR HA H 19 4.340 4.340 4.076 0.264 18805 18 1 1 . 1 1 19 19 TYR C C 19 176.860 176.860 177.023 -0.163 18805 19 1 1 . 1 1 19 19 TYR CA C 19 60.736 60.736 62.248 -1.512 18805 20 1 1 . 1 1 19 19 TYR CB C 19 38.557 38.557 38.178 0.378 18805 21 1 1 . 1 1 19 19 TYR H H 19 8.145 8.145 8.743 -0.598 18805 22 1 1 . 1 1 20 20 GLN N N 20 116.967 116.967 118.279 -1.312 18805 23 1 1 . 1 1 20 20 GLN HA H 20 3.359 3.359 3.824 -0.465 18805 24 1 1 . 1 1 20 20 GLN C C 20 177.344 177.344 177.853 -0.509 18805 25 1 1 . 1 1 20 20 GLN CA C 20 59.633 59.633 59.172 0.461 18805 26 1 1 . 1 1 20 20 GLN CB C 20 27.866 27.866 28.225 -0.359 18805 27 1 1 . 1 1 20 20 GLN H H 20 7.545 7.545 8.199 -0.654 18805 28 1 1 . 1 1 21 21 LEU N N 21 115.751 115.751 118.908 -3.157 18805 29 1 1 . 1 1 21 21 LEU HA H 21 3.532 3.532 3.625 -0.093 18805 30 1 1 . 1 1 21 21 LEU C C 21 178.858 178.858 179.162 -0.304 18805 31 1 1 . 1 1 21 21 LEU CA C 21 57.774 57.774 57.194 0.580 18805 32 1 1 . 1 1 21 21 LEU CB C 21 41.660 41.660 41.230 0.430 18805 33 1 1 . 1 1 21 21 LEU H H 21 8.116 8.116 8.104 0.012 18805 34 1 1 . 1 1 22 22 GLU N N 22 118.939 118.939 119.954 -1.015 18805 35 1 1 . 1 1 22 22 GLU HA H 22 3.876 3.876 3.892 -0.016 18805 36 1 1 . 1 1 22 22 GLU C C 22 179.617 179.617 179.038 0.579 18805 37 1 1 . 1 1 22 22 GLU CA C 22 59.244 59.244 59.395 -0.151 18805 38 1 1 . 1 1 22 22 GLU CB C 22 29.454 29.454 28.877 0.577 18805 39 1 1 . 1 1 22 22 GLU H H 22 8.108 8.108 7.998 0.110 18805 40 1 1 . 1 1 23 23 GLU N N 23 117.643 117.643 119.075 -1.432 18805 41 1 1 . 1 1 23 23 GLU HA H 23 3.699 3.699 3.912 -0.213 18805 42 1 1 . 1 1 23 23 GLU C C 23 179.328 179.328 179.154 0.174 18805 43 1 1 . 1 1 23 23 GLU CA C 23 58.616 58.616 58.699 -0.083 18805 44 1 1 . 1 1 23 23 GLU CB C 23 29.191 29.191 29.199 -0.008 18805 45 1 1 . 1 1 23 23 GLU H H 23 7.631 7.631 7.476 0.155 18805 46 1 1 . 1 1 24 24 LEU N N 24 122.218 122.218 119.781 2.437 18805 47 1 1 . 1 1 24 24 LEU HA H 24 3.490 3.490 3.606 -0.116 18805 48 1 1 . 1 1 24 24 LEU C C 24 177.731 177.731 178.940 -1.209 18805 49 1 1 . 1 1 24 24 LEU CA C 24 58.732 58.732 57.672 1.060 18805 50 1 1 . 1 1 24 24 LEU CB C 24 38.207 38.207 40.535 -2.329 18805 51 1 1 . 1 1 24 24 LEU H H 24 7.995 7.995 8.104 -0.109 18805 52 1 1 . 1 1 25 25 GLU N N 25 118.406 118.406 118.476 -0.070 18805 53 1 1 . 1 1 25 25 GLU HA H 25 4.278 4.278 4.194 0.084 18805 54 1 1 . 1 1 25 25 GLU C C 25 179.059 179.059 179.231 -0.172 18805 55 1 1 . 1 1 25 25 GLU CA C 25 58.612 58.612 59.437 -0.825 18805 56 1 1 . 1 1 25 25 GLU CB C 25 28.957 28.957 29.188 -0.231 18805 57 1 1 . 1 1 25 25 GLU H H 25 7.833 7.833 7.565 0.268 18805 58 1 1 . 1 1 26 26 LYS N N 26 118.033 118.033 120.114 -2.081 18805 59 1 1 . 1 1 26 26 LYS HA H 26 3.978 3.978 4.042 -0.064 18805 60 1 1 . 1 1 26 26 LYS C C 26 180.388 180.388 179.395 0.993 18805 61 1 1 . 1 1 26 26 LYS CA C 26 59.919 59.919 59.459 0.460 18805 62 1 1 . 1 1 26 26 LYS CB C 26 32.821 32.821 32.448 0.373 18805 63 1 1 . 1 1 26 26 LYS H H 26 7.795 7.795 7.839 -0.044 18805 64 1 1 . 1 1 27 27 VAL N N 27 118.207 118.207 119.528 -1.321 18805 65 1 1 . 1 1 27 27 VAL HA H 27 3.853 3.853 3.624 0.229 18805 66 1 1 . 1 1 27 27 VAL C C 27 177.057 177.057 177.779 -0.722 18805 67 1 1 . 1 1 27 27 VAL CA C 27 66.944 66.944 66.215 0.729 18805 68 1 1 . 1 1 27 27 VAL CB C 27 31.034 31.034 31.817 -0.783 18805 69 1 1 . 1 1 27 27 VAL H H 27 7.316 7.316 7.825 -0.509 18805 70 1 1 . 1 1 28 28 PHE N N 28 122.791 122.791 120.343 2.448 18805 71 1 1 . 1 1 28 28 PHE HA H 28 4.744 4.744 4.673 0.071 18805 72 1 1 . 1 1 28 28 PHE C C 28 175.721 175.721 177.188 -1.467 18805 73 1 1 . 1 1 28 28 PHE CA C 28 61.452 61.452 60.810 0.642 18805 74 1 1 . 1 1 28 28 PHE CB C 28 38.872 38.872 39.488 -0.616 18805 75 1 1 . 1 1 28 28 PHE H H 28 8.540 8.540 8.081 0.459 18805 76 1 1 . 1 1 29 29 GLN N N 29 112.048 112.048 116.322 -4.274 18805 77 1 1 . 1 1 29 29 GLN HA H 29 3.843 3.843 3.999 -0.156 18805 78 1 1 . 1 1 29 29 GLN C C 29 177.467 177.467 177.311 0.156 18805 79 1 1 . 1 1 29 29 GLN CA C 29 57.595 57.595 57.151 0.444 18805 80 1 1 . 1 1 29 29 GLN CB C 29 28.204 28.204 28.702 -0.498 18805 81 1 1 . 1 1 29 29 GLN H H 29 8.129 8.129 8.205 -0.076 18805 82 1 1 . 1 1 30 30 LYS N N 30 118.854 118.854 118.100 0.754 18805 83 1 1 . 1 1 30 30 LYS HA H 30 4.260 4.260 4.217 0.043 18805 84 1 1 . 1 1 30 30 LYS C C 30 176.920 176.920 176.591 0.329 18805 85 1 1 . 1 1 30 30 LYS CA C 30 57.449 57.449 57.474 -0.025 18805 86 1 1 . 1 1 30 30 LYS CB C 30 33.450 33.450 33.688 -0.238 18805 87 1 1 . 1 1 30 30 LYS H H 30 7.599 7.599 7.498 0.101 18805 88 1 1 . 1 1 31 31 THR N N 31 115.210 115.210 111.008 4.202 18805 89 1 1 . 1 1 31 31 THR HA H 31 4.279 4.279 4.182 0.097 18805 90 1 1 . 1 1 31 31 THR C C 31 171.092 171.092 173.362 -2.270 18805 91 1 1 . 1 1 31 31 THR CA C 31 59.113 59.113 60.772 -1.659 18805 92 1 1 . 1 1 31 31 THR CB C 31 69.375 69.375 70.004 -0.629 18805 93 1 1 . 1 1 31 31 THR H H 31 8.840 8.840 7.708 1.132 18805 94 1 1 . 1 1 32 32 HIS N N 32 123.048 123.048 124.981 -1.933 18805 95 1 1 . 1 1 32 32 HIS HA H 32 4.343 4.343 4.184 0.159 18805 96 1 1 . 1 1 32 32 HIS C C 32 174.598 174.598 174.534 0.064 18805 97 1 1 . 1 1 32 32 HIS CA C 32 55.323 55.323 57.320 -1.997 18805 98 1 1 . 1 1 32 32 HIS CB C 32 30.975 30.975 29.434 1.541 18805 99 1 1 . 1 1 32 32 HIS H H 32 8.342 8.342 8.395 -0.053 18805 100 1 1 . 1 1 33 33 TYR N N 33 114.650 114.650 117.116 -2.466 18805 101 1 1 . 1 1 33 33 TYR HA H 33 4.703 4.703 4.909 -0.206 18805 102 1 1 . 1 1 33 33 TYR C C 33 172.558 172.558 173.179 -0.621 18805 103 1 1 . 1 1 33 33 TYR CA C 33 55.146 55.146 53.302 1.844 18805 104 1 1 . 1 1 33 33 TYR CB C 33 38.868 38.868 37.995 0.873 18805 105 1 1 . 1 1 33 33 TYR H H 33 8.109 8.109 7.249 0.860 18805 106 1 1 . 1 1 34 34 PRO HA H 34 4.273 4.273 4.438 -0.165 18805 107 1 1 . 1 1 34 34 PRO C C 34 177.097 177.097 176.508 0.589 18805 108 1 1 . 1 1 34 34 PRO CA C 34 62.413 62.413 62.610 -0.197 18805 109 1 1 . 1 1 34 34 PRO CB C 34 30.790 30.790 32.334 -1.544 18805 110 1 1 . 1 1 35 35 ASP N N 35 124.197 124.197 124.410 -0.213 18805 111 1 1 . 1 1 35 35 ASP HA H 35 4.447 4.447 4.457 -0.010 18805 112 1 1 . 1 1 35 35 ASP C C 35 175.603 175.603 177.532 -1.929 18805 113 1 1 . 1 1 35 35 ASP CA C 35 52.685 52.685 54.005 -1.320 18805 114 1 1 . 1 1 35 35 ASP CB C 35 40.952 40.952 42.041 -1.089 18805 115 1 1 . 1 1 35 35 ASP H H 35 8.547 8.547 8.390 0.157 18805 116 1 1 . 1 1 36 36 VAL N N 36 118.006 118.006 119.224 -1.218 18805 117 1 1 . 1 1 36 36 VAL HA H 36 3.473 3.473 3.763 -0.290 18805 118 1 1 . 1 1 36 36 VAL C C 36 176.268 176.268 176.791 -0.523 18805 119 1 1 . 1 1 36 36 VAL CA C 36 66.404 66.404 65.270 1.134 18805 120 1 1 . 1 1 36 36 VAL CB C 36 31.419 31.419 31.942 -0.523 18805 121 1 1 . 1 1 36 36 VAL H H 36 8.281 8.281 8.424 -0.143 18805 122 1 1 . 1 1 37 37 TYR N N 37 121.225 121.225 119.968 1.257 18805 123 1 1 . 1 1 37 37 TYR HA H 37 4.305 4.305 4.690 -0.385 18805 124 1 1 . 1 1 37 37 TYR C C 37 178.136 178.136 176.877 1.259 18805 125 1 1 . 1 1 37 37 TYR CA C 37 60.808 60.808 60.766 0.042 18805 126 1 1 . 1 1 37 37 TYR CB C 37 37.392 37.392 38.202 -0.810 18805 127 1 1 . 1 1 37 37 TYR H H 37 7.423 7.423 7.853 -0.430 18805 128 1 1 . 1 1 38 38 ALA N N 38 122.550 122.550 121.340 1.210 18805 129 1 1 . 1 1 38 38 ALA HA H 38 4.071 4.071 3.939 0.132 18805 130 1 1 . 1 1 38 38 ALA C C 38 182.258 182.258 179.941 2.317 18805 131 1 1 . 1 1 38 38 ALA CA C 38 54.885 54.885 54.810 0.074 18805 132 1 1 . 1 1 38 38 ALA CB C 38 18.336 18.336 18.091 0.245 18805 133 1 1 . 1 1 38 38 ALA H H 38 8.376 8.376 8.002 0.374 18805 134 1 1 . 1 1 39 39 ARG N N 39 117.400 117.400 118.081 -0.681 18805 135 1 1 . 1 1 39 39 ARG HA H 39 3.834 3.834 3.957 -0.123 18805 136 1 1 . 1 1 39 39 ARG C C 39 178.142 178.142 178.936 -0.794 18805 137 1 1 . 1 1 39 39 ARG CA C 39 60.991 60.991 58.632 2.359 18805 138 1 1 . 1 1 39 39 ARG CB C 39 31.335 31.335 29.374 1.961 18805 139 1 1 . 1 1 39 39 ARG H H 39 8.699 8.699 8.274 0.425 18805 140 1 1 . 1 1 40 40 GLU N N 40 121.231 121.231 119.786 1.445 18805 141 1 1 . 1 1 40 40 GLU HA H 40 3.943 3.943 3.911 0.032 18805 142 1 1 . 1 1 40 40 GLU C C 40 179.598 179.598 178.831 0.767 18805 143 1 1 . 1 1 40 40 GLU CA C 40 59.805 59.805 59.577 0.228 18805 144 1 1 . 1 1 40 40 GLU CB C 40 29.508 29.508 29.210 0.298 18805 145 1 1 . 1 1 40 40 GLU H H 40 8.672 8.672 7.590 1.082 18805 146 1 1 . 1 1 41 41 GLN N N 41 118.662 118.662 117.688 0.974 18805 147 1 1 . 1 1 41 41 GLN HA H 41 3.958 3.958 3.982 -0.024 18805 148 1 1 . 1 1 41 41 GLN C C 41 178.675 178.675 178.767 -0.092 18805 149 1 1 . 1 1 41 41 GLN CA C 41 58.594 58.594 58.054 0.540 18805 150 1 1 . 1 1 41 41 GLN CB C 41 28.396 28.396 28.300 0.096 18805 151 1 1 . 1 1 41 41 GLN H H 41 8.264 8.264 7.790 0.474 18805 152 1 1 . 1 1 42 42 LEU N N 42 121.044 121.044 120.379 0.665 18805 153 1 1 . 1 1 42 42 LEU HA H 42 4.009 4.009 4.012 -0.003 18805 154 1 1 . 1 1 42 42 LEU C C 42 179.727 179.727 177.933 1.794 18805 155 1 1 . 1 1 42 42 LEU CA C 42 57.600 57.600 57.002 0.598 18805 156 1 1 . 1 1 42 42 LEU CB C 42 42.752 42.752 41.400 1.352 18805 157 1 1 . 1 1 42 42 LEU H H 42 7.909 7.909 7.702 0.207 18805 158 1 1 . 1 1 43 43 ALA N N 43 124.342 124.342 122.787 1.555 18805 159 1 1 . 1 1 43 43 ALA HA H 43 3.697 3.697 4.048 -0.351 18805 160 1 1 . 1 1 43 43 ALA C C 43 179.056 179.056 179.733 -0.677 18805 161 1 1 . 1 1 43 43 ALA CA C 43 55.561 55.561 54.959 0.602 18805 162 1 1 . 1 1 43 43 ALA CB C 43 17.186 17.186 18.751 -1.565 18805 163 1 1 . 1 1 43 43 ALA H H 43 8.647 8.647 7.824 0.823 18805 164 1 1 . 1 1 44 44 MET N N 44 115.878 115.878 115.199 0.679 18805 165 1 1 . 1 1 44 44 MET HA H 44 4.262 4.262 4.129 0.133 18805 166 1 1 . 1 1 44 44 MET C C 44 179.154 179.154 178.413 0.741 18805 167 1 1 . 1 1 44 44 MET CA C 44 58.569 58.569 58.339 0.230 18805 168 1 1 . 1 1 44 44 MET CB C 44 32.138 32.138 32.380 -0.242 18805 169 1 1 . 1 1 44 44 MET H H 44 7.926 7.926 7.723 0.203 18805 170 1 1 . 1 1 45 45 ARG N N 45 116.503 116.503 118.519 -2.016 18805 171 1 1 . 1 1 45 45 ARG HA H 45 4.402 4.402 4.277 0.125 18805 172 1 1 . 1 1 45 45 ARG C C 45 177.591 177.591 178.501 -0.910 18805 173 1 1 . 1 1 45 45 ARG CA C 45 58.315 58.315 58.197 0.117 18805 174 1 1 . 1 1 45 45 ARG CB C 45 30.909 30.909 30.633 0.276 18805 175 1 1 . 1 1 45 45 ARG H H 45 7.903 7.903 7.601 0.302 18805 176 1 1 . 1 1 46 46 THR N N 46 105.711 105.711 109.480 -3.769 18805 177 1 1 . 1 1 46 46 THR HA H 46 4.501 4.501 4.399 0.102 18805 178 1 1 . 1 1 46 46 THR C C 46 174.417 174.417 175.085 -0.668 18805 179 1 1 . 1 1 46 46 THR CA C 46 61.808 61.808 62.552 -0.744 18805 180 1 1 . 1 1 46 46 THR CB C 46 70.714 70.714 69.254 1.460 18805 181 1 1 . 1 1 46 46 THR H H 46 7.662 7.662 7.902 -0.240 18805 182 1 1 . 1 1 47 47 ASP N N 47 120.391 120.391 119.026 1.365 18805 183 1 1 . 1 1 47 47 ASP HA H 47 4.472 4.472 4.305 0.167 18805 184 1 1 . 1 1 47 47 ASP C C 47 174.537 174.537 175.224 -0.687 18805 185 1 1 . 1 1 47 47 ASP CA C 47 55.933 55.933 55.749 0.184 18805 186 1 1 . 1 1 47 47 ASP CB C 47 39.565 39.565 40.262 -0.697 18805 187 1 1 . 1 1 47 47 ASP H H 47 7.922 7.922 7.933 -0.011 18805 188 1 1 . 1 1 48 48 LEU N N 48 118.406 118.406 119.218 -0.812 18805 189 1 1 . 1 1 48 48 LEU HA H 48 4.891 4.891 4.548 0.343 18805 190 1 1 . 1 1 48 48 LEU C C 48 176.180 176.180 176.800 -0.620 18805 191 1 1 . 1 1 48 48 LEU CA C 48 52.943 52.943 54.318 -1.375 18805 192 1 1 . 1 1 48 48 LEU CB C 48 46.638 46.638 43.538 3.100 18805 193 1 1 . 1 1 48 48 LEU H H 48 8.072 8.072 7.441 0.631 18805 194 1 1 . 1 1 49 49 THR N N 49 106.891 106.891 111.032 -4.141 18805 195 1 1 . 1 1 49 49 THR HA H 49 4.597 4.597 4.405 0.192 18805 196 1 1 . 1 1 49 49 THR C C 49 175.667 175.667 175.246 0.421 18805 197 1 1 . 1 1 49 49 THR CA C 49 59.573 59.573 60.161 -0.588 18805 198 1 1 . 1 1 49 49 THR CB C 49 71.085 71.085 70.476 0.609 18805 199 1 1 . 1 1 49 49 THR H H 49 7.071 7.071 7.991 -0.920 18805 200 1 1 . 1 1 50 50 GLU N N 50 124.013 124.013 121.396 2.617 18805 201 1 1 . 1 1 50 50 GLU HA H 50 3.721 3.721 4.037 -0.316 18805 202 1 1 . 1 1 50 50 GLU C C 50 178.112 178.112 178.826 -0.714 18805 203 1 1 . 1 1 50 50 GLU CA C 50 60.982 60.982 60.089 0.893 18805 204 1 1 . 1 1 50 50 GLU CB C 50 28.654 28.654 29.250 -0.596 18805 205 1 1 . 1 1 50 50 GLU H H 50 9.271 9.271 8.973 0.298 18805 206 1 1 . 1 1 51 51 ALA N N 51 119.708 119.708 120.160 -0.452 18805 207 1 1 . 1 1 51 51 ALA HA H 51 4.108 4.108 4.383 -0.275 18805 208 1 1 . 1 1 51 51 ALA C C 51 180.493 180.493 180.327 0.166 18805 209 1 1 . 1 1 51 51 ALA CA C 51 55.200 55.200 55.014 0.186 18805 210 1 1 . 1 1 51 51 ALA CB C 51 18.397 18.397 18.427 -0.030 18805 211 1 1 . 1 1 51 51 ALA H H 51 8.377 8.377 8.373 0.004 18805 212 1 1 . 1 1 52 52 ARG N N 52 117.740 117.740 117.838 -0.098 18805 213 1 1 . 1 1 52 52 ARG HA H 52 4.213 4.213 4.329 -0.116 18805 214 1 1 . 1 1 52 52 ARG C C 52 179.734 179.734 178.993 0.741 18805 215 1 1 . 1 1 52 52 ARG CA C 52 59.006 59.006 57.984 1.022 18805 216 1 1 . 1 1 52 52 ARG CB C 52 30.626 30.626 29.839 0.787 18805 217 1 1 . 1 1 52 52 ARG H H 52 7.756 7.756 7.663 0.093 18805 218 1 1 . 1 1 53 53 VAL N N 53 120.607 120.607 120.656 -0.049 18805 219 1 1 . 1 1 53 53 VAL HA H 53 3.706 3.706 3.940 -0.234 18805 220 1 1 . 1 1 53 53 VAL C C 53 177.734 177.734 178.288 -0.554 18805 221 1 1 . 1 1 53 53 VAL CA C 53 67.350 67.350 66.158 1.192 18805 222 1 1 . 1 1 53 53 VAL CB C 53 31.900 31.900 31.022 0.878 18805 223 1 1 . 1 1 53 53 VAL H H 53 8.206 8.206 7.796 0.410 18805 224 1 1 . 1 1 54 54 GLN N N 54 119.441 119.441 119.910 -0.469 18805 225 1 1 . 1 1 54 54 GLN HA H 54 4.401 4.401 4.109 0.292 18805 226 1 1 . 1 1 54 54 GLN C C 54 179.055 179.055 178.958 0.097 18805 227 1 1 . 1 1 54 54 GLN CA C 54 60.036 60.036 59.580 0.456 18805 228 1 1 . 1 1 54 54 GLN CB C 54 28.509 28.509 28.721 -0.212 18805 229 1 1 . 1 1 54 54 GLN H H 54 8.747 8.747 8.185 0.562 18805 230 1 1 . 1 1 55 55 VAL N N 55 119.951 119.951 119.541 0.410 18805 231 1 1 . 1 1 55 55 VAL HA H 55 3.783 3.783 3.885 -0.102 18805 232 1 1 . 1 1 55 55 VAL C C 55 177.751 177.751 178.374 -0.623 18805 233 1 1 . 1 1 55 55 VAL CA C 55 66.575 66.575 66.846 -0.271 18805 234 1 1 . 1 1 55 55 VAL CB C 55 32.017 32.017 31.612 0.405 18805 235 1 1 . 1 1 55 55 VAL H H 55 7.973 7.973 7.765 0.208 18805 236 1 1 . 1 1 56 56 TRP N N 56 121.386 121.386 121.600 -0.214 18805 237 1 1 . 1 1 56 56 TRP HA H 56 4.075 4.075 4.171 -0.096 18805 238 1 1 . 1 1 56 56 TRP C C 56 179.849 179.849 178.046 1.803 18805 239 1 1 . 1 1 56 56 TRP CA C 56 63.249 63.249 61.876 1.373 18805 240 1 1 . 1 1 56 56 TRP CB C 56 28.266 28.266 29.500 -1.234 18805 241 1 1 . 1 1 56 56 TRP H H 56 8.351 8.351 7.927 0.424 18805 242 1 1 . 1 1 57 57 PHE N N 57 118.444 118.444 117.180 1.264 18805 243 1 1 . 1 1 57 57 PHE HA H 57 3.629 3.629 3.919 -0.290 18805 244 1 1 . 1 1 57 57 PHE C C 57 178.058 178.058 178.205 -0.147 18805 245 1 1 . 1 1 57 57 PHE CA C 57 63.831 63.831 62.572 1.259 18805 246 1 1 . 1 1 57 57 PHE CB C 57 39.161 39.161 39.041 0.120 18805 247 1 1 . 1 1 57 57 PHE H H 57 8.924 8.924 8.140 0.784 18805 248 1 1 . 1 1 58 58 GLN N N 58 119.552 119.552 117.968 1.584 18805 249 1 1 . 1 1 58 58 GLN HA H 58 3.958 3.958 4.039 -0.081 18805 250 1 1 . 1 1 58 58 GLN C C 58 179.475 179.475 178.635 0.840 18805 251 1 1 . 1 1 58 58 GLN CA C 58 59.730 59.730 58.935 0.795 18805 252 1 1 . 1 1 58 58 GLN CB C 58 28.108 28.108 28.517 -0.409 18805 253 1 1 . 1 1 58 58 GLN H H 58 8.322 8.322 8.398 -0.076 18805 254 1 1 . 1 1 59 59 ASN N N 59 119.095 119.095 117.689 1.406 18805 255 1 1 . 1 1 59 59 ASN HA H 59 4.344 4.344 4.440 -0.096 18805 256 1 1 . 1 1 59 59 ASN C C 59 177.212 177.212 176.919 0.293 18805 257 1 1 . 1 1 59 59 ASN CA C 59 55.536 55.536 55.636 -0.100 18805 258 1 1 . 1 1 59 59 ASN CB C 59 37.920 37.920 38.229 -0.309 18805 259 1 1 . 1 1 59 59 ASN H H 59 8.158 8.158 7.795 0.363 18805 260 1 1 . 1 1 60 60 ARG N N 60 124.480 124.480 120.736 3.744 18805 261 1 1 . 1 1 60 60 ARG HA H 60 3.383 3.383 3.635 -0.252 18805 262 1 1 . 1 1 60 60 ARG C C 60 179.622 179.622 178.491 1.131 18805 263 1 1 . 1 1 60 60 ARG CA C 60 56.532 56.532 57.845 -1.313 18805 264 1 1 . 1 1 60 60 ARG CB C 60 27.904 27.904 28.915 -1.011 18805 265 1 1 . 1 1 60 60 ARG H H 60 8.494 8.494 8.036 0.458 18805 266 1 1 . 1 1 61 61 ARG N N 61 118.870 118.870 117.973 0.897 18805 267 1 1 . 1 1 61 61 ARG HA H 61 3.946 3.946 4.284 -0.338 18805 268 1 1 . 1 1 61 61 ARG C C 61 178.392 178.392 178.303 0.089 18805 269 1 1 . 1 1 61 61 ARG CA C 61 60.599 60.599 59.329 1.270 18805 270 1 1 . 1 1 61 61 ARG CB C 61 31.546 31.546 30.069 1.478 18805 271 1 1 . 1 1 61 61 ARG H H 61 8.310 8.310 8.131 0.179 18805 272 1 1 . 1 1 62 62 ALA N N 62 121.373 121.373 122.559 -1.186 18805 273 1 1 . 1 1 62 62 ALA HA H 62 4.163 4.163 4.180 -0.017 18805 274 1 1 . 1 1 62 62 ALA C C 62 179.899 179.899 179.976 -0.077 18805 275 1 1 . 1 1 62 62 ALA CA C 62 55.109 55.109 54.988 0.121 18805 276 1 1 . 1 1 62 62 ALA CB C 62 17.754 17.754 18.178 -0.424 18805 277 1 1 . 1 1 62 62 ALA H H 62 7.382 7.382 7.624 -0.242 18805 278 1 1 . 1 1 63 63 LYS N N 63 118.540 118.540 119.524 -0.984 18805 279 1 1 . 1 1 63 63 LYS HA H 63 3.986 3.986 4.065 -0.079 18805 280 1 1 . 1 1 63 63 LYS C C 63 178.259 178.259 178.894 -0.635 18805 281 1 1 . 1 1 63 63 LYS CA C 63 58.727 58.727 59.148 -0.421 18805 282 1 1 . 1 1 63 63 LYS CB C 63 32.634 32.634 32.233 0.401 18805 283 1 1 . 1 1 63 63 LYS H H 63 7.573 7.573 7.527 0.046 18805 284 1 1 . 1 1 64 64 TRP N N 64 121.094 121.094 120.641 0.453 18805 285 1 1 . 1 1 64 64 TRP HA H 64 4.436 4.436 4.411 0.025 18805 286 1 1 . 1 1 64 64 TRP C C 64 177.662 177.662 176.870 0.792 18805 287 1 1 . 1 1 64 64 TRP CA C 64 60.130 60.130 60.552 -0.422 18805 288 1 1 . 1 1 64 64 TRP CB C 64 29.138 29.138 29.630 -0.492 18805 289 1 1 . 1 1 64 64 TRP H H 64 8.032 8.032 7.836 0.196 18805 290 1 1 . 1 1 65 65 ARG N N 65 118.674 118.674 116.146 2.528 18805 291 1 1 . 1 1 65 65 ARG HA H 65 3.783 3.783 3.947 -0.164 18805 292 1 1 . 1 1 65 65 ARG C C 65 177.342 177.342 177.336 0.006 18805 293 1 1 . 1 1 65 65 ARG CA C 65 58.290 58.290 57.153 1.137 18805 294 1 1 . 1 1 65 65 ARG CB C 65 30.580 30.580 30.066 0.514 18805 295 1 1 . 1 1 65 65 ARG H H 65 8.232 8.232 7.672 0.560 18805 296 1 1 . 1 1 66 66 LYS N N 66 118.567 118.567 121.060 -2.493 18805 297 1 1 . 1 1 66 66 LYS HA H 66 4.122 4.122 4.243 -0.121 18805 298 1 1 . 1 1 66 66 LYS C C 66 177.060 177.060 175.771 1.289 18805 299 1 1 . 1 1 66 66 LYS CA C 66 57.389 57.389 55.496 1.893 18805 300 1 1 . 1 1 66 66 LYS CB C 66 32.659 32.659 30.948 1.712 18805 301 1 1 . 1 1 66 66 LYS H H 66 7.591 7.591 7.560 0.031 18805 302 1 1 . 1 1 67 67 ARG N N 67 119.185 119.185 123.912 -4.727 18805 303 1 1 . 1 1 67 67 ARG HA H 67 4.183 4.183 4.187 -0.004 18805 304 1 1 . 1 1 67 67 ARG C C 67 176.830 176.830 176.017 0.813 18805 305 1 1 . 1 1 67 67 ARG CA C 67 56.879 56.879 56.191 0.688 18805 306 1 1 . 1 1 67 67 ARG CB C 67 30.226 30.226 29.626 0.600 18805 307 1 1 . 1 1 67 67 ARG H H 67 7.722 7.722 7.938 -0.216 18805 308 1 1 . 1 1 68 68 GLU N N 68 120.614 120.614 127.299 -6.685 18805 309 1 1 . 1 1 68 68 GLU HA H 68 4.087 4.087 4.242 -0.155 18805 310 1 1 . 1 1 68 68 GLU C C 68 176.803 176.803 175.943 0.860 18805 311 1 1 . 1 1 68 68 GLU CA C 68 57.076 57.076 56.012 1.064 18805 312 1 1 . 1 1 68 68 GLU CB C 68 30.099 30.099 30.111 -0.012 18805 313 1 1 . 1 1 68 68 GLU H H 68 8.157 8.157 8.784 -0.627 18805 314 1 1 . 1 1 69 69 ARG N N 69 120.012 120.012 118.017 1.995 18805 315 1 1 . 1 1 69 69 ARG C C 69 176.270 176.270 175.485 0.785 18805 316 1 1 . 1 1 69 69 ARG CA C 69 66.543 66.543 56.341 10.202 18805 317 1 1 . 1 1 69 69 ARG CB C 69 32.203 32.203 28.858 3.345 18805 318 1 1 . 1 1 69 69 ARG H H 69 7.974 7.974 7.659 0.315 18805 319 1 1 . 1 1 70 70 PHE HA H 70 4.577 4.577 4.390 0.187 18805 320 1 1 . 1 1 70 70 PHE CA C 70 58.021 58.021 59.679 -1.658 18805 321 1 1 . 1 1 70 70 PHE CB C 70 39.295 39.295 39.867 -0.572 18805 322 1 2 . 1 1 16 16 PHE HA H 16 5.000 5.000 4.274 0.726 18805 323 1 2 . 1 1 16 16 PHE C C 16 176.744 176.744 175.072 1.672 18805 324 1 2 . 1 1 16 16 PHE CA C 16 57.425 57.425 58.574 -1.149 18805 325 1 2 . 1 1 16 16 PHE CB C 16 41.475 41.475 38.820 2.655 18805 326 1 2 . 1 1 16 16 PHE H H 16 9.114 9.114 8.322 0.792 18805 327 1 2 . 1 1 17 17 THR N N 17 113.394 113.394 110.324 3.070 18805 328 1 2 . 1 1 17 17 THR HA H 17 4.552 4.552 4.851 -0.299 18805 329 1 2 . 1 1 17 17 THR C C 17 175.352 175.352 175.788 -0.436 18805 330 1 2 . 1 1 17 17 THR CA C 17 60.392 60.392 60.356 0.036 18805 331 1 2 . 1 1 17 17 THR CB C 17 71.013 71.013 72.019 -1.006 18805 332 1 2 . 1 1 17 17 THR H H 17 9.106 9.106 8.375 0.731 18805 333 1 2 . 1 1 18 18 SER HA H 18 4.146 4.146 4.087 0.059 18805 334 1 2 . 1 1 18 18 SER C C 18 176.860 176.860 176.514 0.346 18805 335 1 2 . 1 1 18 18 SER CA C 18 62.173 62.173 61.721 0.452 18805 336 1 2 . 1 1 18 18 SER CB C 18 62.172 62.172 62.487 -0.315 18805 337 1 2 . 1 1 19 19 TYR N N 19 121.561 121.561 123.734 -2.173 18805 338 1 2 . 1 1 19 19 TYR HA H 19 4.340 4.340 3.975 0.365 18805 339 1 2 . 1 1 19 19 TYR C C 19 176.860 176.860 177.276 -0.416 18805 340 1 2 . 1 1 19 19 TYR CA C 19 60.736 60.736 61.166 -0.430 18805 341 1 2 . 1 1 19 19 TYR CB C 19 38.557 38.557 38.099 0.458 18805 342 1 2 . 1 1 19 19 TYR H H 19 8.145 8.145 8.229 -0.084 18805 343 1 2 . 1 1 20 20 GLN N N 20 116.967 116.967 117.874 -0.907 18805 344 1 2 . 1 1 20 20 GLN HA H 20 3.359 3.359 3.539 -0.180 18805 345 1 2 . 1 1 20 20 GLN C C 20 177.344 177.344 178.130 -0.786 18805 346 1 2 . 1 1 20 20 GLN CA C 20 59.633 59.633 59.087 0.546 18805 347 1 2 . 1 1 20 20 GLN CB C 20 27.866 27.866 28.697 -0.831 18805 348 1 2 . 1 1 20 20 GLN H H 20 7.545 7.545 7.765 -0.220 18805 349 1 2 . 1 1 21 21 LEU N N 21 115.751 115.751 119.069 -3.318 18805 350 1 2 . 1 1 21 21 LEU HA H 21 3.532 3.532 3.495 0.037 18805 351 1 2 . 1 1 21 21 LEU C C 21 178.858 178.858 179.095 -0.237 18805 352 1 2 . 1 1 21 21 LEU CA C 21 57.774 57.774 57.435 0.339 18805 353 1 2 . 1 1 21 21 LEU CB C 21 41.660 41.660 41.265 0.395 18805 354 1 2 . 1 1 21 21 LEU H H 21 8.116 8.116 8.065 0.051 18805 355 1 2 . 1 1 22 22 GLU N N 22 118.939 118.939 118.924 0.015 18805 356 1 2 . 1 1 22 22 GLU HA H 22 3.876 3.876 3.841 0.035 18805 357 1 2 . 1 1 22 22 GLU C C 22 179.617 179.617 179.059 0.558 18805 358 1 2 . 1 1 22 22 GLU CA C 22 59.244 59.244 59.085 0.159 18805 359 1 2 . 1 1 22 22 GLU CB C 22 29.454 29.454 28.642 0.812 18805 360 1 2 . 1 1 22 22 GLU H H 22 8.108 8.108 7.578 0.530 18805 361 1 2 . 1 1 23 23 GLU N N 23 117.643 117.643 119.320 -1.677 18805 362 1 2 . 1 1 23 23 GLU HA H 23 3.699 3.699 3.881 -0.182 18805 363 1 2 . 1 1 23 23 GLU C C 23 179.328 179.328 179.139 0.189 18805 364 1 2 . 1 1 23 23 GLU CA C 23 58.616 58.616 58.583 0.033 18805 365 1 2 . 1 1 23 23 GLU CB C 23 29.191 29.191 29.018 0.173 18805 366 1 2 . 1 1 23 23 GLU H H 23 7.631 7.631 7.458 0.173 18805 367 1 2 . 1 1 24 24 LEU N N 24 122.218 122.218 119.424 2.794 18805 368 1 2 . 1 1 24 24 LEU HA H 24 3.490 3.490 3.458 0.032 18805 369 1 2 . 1 1 24 24 LEU C C 24 177.731 177.731 178.751 -1.020 18805 370 1 2 . 1 1 24 24 LEU CA C 24 58.732 58.732 57.883 0.849 18805 371 1 2 . 1 1 24 24 LEU CB C 24 38.207 38.207 40.304 -2.097 18805 372 1 2 . 1 1 24 24 LEU H H 24 7.995 7.995 7.943 0.052 18805 373 1 2 . 1 1 25 25 GLU N N 25 118.406 118.406 118.571 -0.165 18805 374 1 2 . 1 1 25 25 GLU HA H 25 4.278 4.278 4.192 0.086 18805 375 1 2 . 1 1 25 25 GLU C C 25 179.059 179.059 179.202 -0.143 18805 376 1 2 . 1 1 25 25 GLU CA C 25 58.612 58.612 59.456 -0.844 18805 377 1 2 . 1 1 25 25 GLU CB C 25 28.957 28.957 29.140 -0.183 18805 378 1 2 . 1 1 25 25 GLU H H 25 7.833 7.833 7.702 0.131 18805 379 1 2 . 1 1 26 26 LYS N N 26 118.033 118.033 119.698 -1.665 18805 380 1 2 . 1 1 26 26 LYS HA H 26 3.978 3.978 4.060 -0.082 18805 381 1 2 . 1 1 26 26 LYS C C 26 180.388 180.388 179.523 0.865 18805 382 1 2 . 1 1 26 26 LYS CA C 26 59.919 59.919 59.385 0.534 18805 383 1 2 . 1 1 26 26 LYS CB C 26 32.821 32.821 32.406 0.415 18805 384 1 2 . 1 1 26 26 LYS H H 26 7.795 7.795 7.879 -0.084 18805 385 1 2 . 1 1 27 27 VAL N N 27 118.207 118.207 119.140 -0.933 18805 386 1 2 . 1 1 27 27 VAL HA H 27 3.853 3.853 3.775 0.078 18805 387 1 2 . 1 1 27 27 VAL C C 27 177.057 177.057 177.511 -0.454 18805 388 1 2 . 1 1 27 27 VAL CA C 27 66.944 66.944 65.868 1.076 18805 389 1 2 . 1 1 27 27 VAL CB C 27 31.034 31.034 32.037 -1.003 18805 390 1 2 . 1 1 27 27 VAL H H 27 7.316 7.316 7.456 -0.140 18805 391 1 2 . 1 1 28 28 PHE N N 28 122.791 122.791 121.193 1.598 18805 392 1 2 . 1 1 28 28 PHE HA H 28 4.744 4.744 4.704 0.040 18805 393 1 2 . 1 1 28 28 PHE C C 28 175.721 175.721 176.799 -1.078 18805 394 1 2 . 1 1 28 28 PHE CA C 28 61.452 61.452 60.769 0.683 18805 395 1 2 . 1 1 28 28 PHE CB C 28 38.872 38.872 39.492 -0.620 18805 396 1 2 . 1 1 28 28 PHE H H 28 8.540 8.540 8.022 0.518 18805 397 1 2 . 1 1 29 29 GLN N N 29 112.048 112.048 116.602 -4.554 18805 398 1 2 . 1 1 29 29 GLN HA H 29 3.843 3.843 3.944 -0.101 18805 399 1 2 . 1 1 29 29 GLN C C 29 177.467 177.467 177.429 0.038 18805 400 1 2 . 1 1 29 29 GLN CA C 29 57.595 57.595 57.512 0.083 18805 401 1 2 . 1 1 29 29 GLN CB C 29 28.204 28.204 28.524 -0.320 18805 402 1 2 . 1 1 29 29 GLN H H 29 8.129 8.129 8.275 -0.146 18805 403 1 2 . 1 1 30 30 LYS N N 30 118.854 118.854 118.358 0.496 18805 404 1 2 . 1 1 30 30 LYS HA H 30 4.260 4.260 4.200 0.060 18805 405 1 2 . 1 1 30 30 LYS C C 30 176.920 176.920 177.116 -0.196 18805 406 1 2 . 1 1 30 30 LYS CA C 30 57.449 57.449 57.643 -0.194 18805 407 1 2 . 1 1 30 30 LYS CB C 30 33.450 33.450 33.492 -0.042 18805 408 1 2 . 1 1 30 30 LYS H H 30 7.599 7.599 7.851 -0.252 18805 409 1 2 . 1 1 31 31 THR N N 31 115.210 115.210 112.403 2.807 18805 410 1 2 . 1 1 31 31 THR HA H 31 4.279 4.279 4.485 -0.206 18805 411 1 2 . 1 1 31 31 THR C C 31 171.092 171.092 173.528 -2.436 18805 412 1 2 . 1 1 31 31 THR CA C 31 59.113 59.113 60.102 -0.989 18805 413 1 2 . 1 1 31 31 THR CB C 31 69.375 69.375 70.350 -0.975 18805 414 1 2 . 1 1 31 31 THR H H 31 8.840 8.840 7.939 0.901 18805 415 1 2 . 1 1 32 32 HIS N N 32 123.048 123.048 124.929 -1.881 18805 416 1 2 . 1 1 32 32 HIS HA H 32 4.343 4.343 4.173 0.170 18805 417 1 2 . 1 1 32 32 HIS C C 32 174.598 174.598 174.290 0.308 18805 418 1 2 . 1 1 32 32 HIS CA C 32 55.323 55.323 57.145 -1.822 18805 419 1 2 . 1 1 32 32 HIS CB C 32 30.975 30.975 29.374 1.601 18805 420 1 2 . 1 1 32 32 HIS H H 32 8.342 8.342 8.701 -0.359 18805 421 1 2 . 1 1 33 33 TYR N N 33 114.650 114.650 118.825 -4.175 18805 422 1 2 . 1 1 33 33 TYR HA H 33 4.703 4.703 4.798 -0.095 18805 423 1 2 . 1 1 33 33 TYR C C 33 172.558 172.558 173.941 -1.383 18805 424 1 2 . 1 1 33 33 TYR CA C 33 55.146 55.146 55.238 -0.092 18805 425 1 2 . 1 1 33 33 TYR CB C 33 38.868 38.868 38.573 0.295 18805 426 1 2 . 1 1 33 33 TYR H H 33 8.109 8.109 7.622 0.487 18805 427 1 2 . 1 1 34 34 PRO HA H 34 4.273 4.273 4.432 -0.159 18805 428 1 2 . 1 1 34 34 PRO C C 34 177.097 177.097 175.936 1.161 18805 429 1 2 . 1 1 34 34 PRO CA C 34 62.413 62.413 62.465 -0.052 18805 430 1 2 . 1 1 34 34 PRO CB C 34 30.790 30.790 32.504 -1.714 18805 431 1 2 . 1 1 35 35 ASP N N 35 124.197 124.197 123.035 1.162 18805 432 1 2 . 1 1 35 35 ASP HA H 35 4.447 4.447 4.485 -0.038 18805 433 1 2 . 1 1 35 35 ASP C C 35 175.603 175.603 177.990 -2.387 18805 434 1 2 . 1 1 35 35 ASP CA C 35 52.685 52.685 54.696 -2.011 18805 435 1 2 . 1 1 35 35 ASP CB C 35 40.952 40.952 42.349 -1.397 18805 436 1 2 . 1 1 35 35 ASP H H 35 8.547 8.547 8.372 0.175 18805 437 1 2 . 1 1 36 36 VAL N N 36 118.006 118.006 121.977 -3.971 18805 438 1 2 . 1 1 36 36 VAL HA H 36 3.473 3.473 3.811 -0.338 18805 439 1 2 . 1 1 36 36 VAL C C 36 176.268 176.268 177.253 -0.985 18805 440 1 2 . 1 1 36 36 VAL CA C 36 66.404 66.404 65.962 0.442 18805 441 1 2 . 1 1 36 36 VAL CB C 36 31.419 31.419 31.833 -0.414 18805 442 1 2 . 1 1 36 36 VAL H H 36 8.281 8.281 8.525 -0.244 18805 443 1 2 . 1 1 37 37 TYR N N 37 121.225 121.225 120.982 0.243 18805 444 1 2 . 1 1 37 37 TYR HA H 37 4.305 4.305 4.320 -0.015 18805 445 1 2 . 1 1 37 37 TYR C C 37 178.136 178.136 177.076 1.060 18805 446 1 2 . 1 1 37 37 TYR CA C 37 60.808 60.808 61.604 -0.796 18805 447 1 2 . 1 1 37 37 TYR CB C 37 37.392 37.392 37.469 -0.077 18805 448 1 2 . 1 1 37 37 TYR H H 37 7.423 7.423 8.276 -0.853 18805 449 1 2 . 1 1 38 38 ALA N N 38 122.550 122.550 121.802 0.748 18805 450 1 2 . 1 1 38 38 ALA HA H 38 4.071 4.071 4.074 -0.003 18805 451 1 2 . 1 1 38 38 ALA C C 38 182.258 182.258 179.874 2.384 18805 452 1 2 . 1 1 38 38 ALA CA C 38 54.885 54.885 55.134 -0.249 18805 453 1 2 . 1 1 38 38 ALA CB C 38 18.336 18.336 18.024 0.312 18805 454 1 2 . 1 1 38 38 ALA H H 38 8.376 8.376 8.420 -0.044 18805 455 1 2 . 1 1 39 39 ARG N N 39 117.400 117.400 118.196 -0.796 18805 456 1 2 . 1 1 39 39 ARG HA H 39 3.834 3.834 4.003 -0.169 18805 457 1 2 . 1 1 39 39 ARG C C 39 178.142 178.142 179.013 -0.871 18805 458 1 2 . 1 1 39 39 ARG CA C 39 60.991 60.991 59.644 1.347 18805 459 1 2 . 1 1 39 39 ARG CB C 39 31.335 31.335 30.028 1.307 18805 460 1 2 . 1 1 39 39 ARG H H 39 8.699 8.699 8.074 0.625 18805 461 1 2 . 1 1 40 40 GLU N N 40 121.231 121.231 119.627 1.604 18805 462 1 2 . 1 1 40 40 GLU HA H 40 3.943 3.943 3.950 -0.007 18805 463 1 2 . 1 1 40 40 GLU C C 40 179.598 179.598 178.868 0.730 18805 464 1 2 . 1 1 40 40 GLU CA C 40 59.805 59.805 59.113 0.692 18805 465 1 2 . 1 1 40 40 GLU CB C 40 29.508 29.508 29.022 0.486 18805 466 1 2 . 1 1 40 40 GLU H H 40 8.672 8.672 7.756 0.916 18805 467 1 2 . 1 1 41 41 GLN N N 41 118.662 118.662 118.245 0.417 18805 468 1 2 . 1 1 41 41 GLN HA H 41 3.958 3.958 3.940 0.018 18805 469 1 2 . 1 1 41 41 GLN C C 41 178.675 178.675 178.859 -0.184 18805 470 1 2 . 1 1 41 41 GLN CA C 41 58.594 58.594 58.372 0.222 18805 471 1 2 . 1 1 41 41 GLN CB C 41 28.396 28.396 28.577 -0.181 18805 472 1 2 . 1 1 41 41 GLN H H 41 8.264 8.264 7.622 0.642 18805 473 1 2 . 1 1 42 42 LEU N N 42 121.044 121.044 120.391 0.653 18805 474 1 2 . 1 1 42 42 LEU HA H 42 4.009 4.009 4.040 -0.031 18805 475 1 2 . 1 1 42 42 LEU C C 42 179.727 179.727 177.910 1.817 18805 476 1 2 . 1 1 42 42 LEU CA C 42 57.600 57.600 57.243 0.357 18805 477 1 2 . 1 1 42 42 LEU CB C 42 42.752 42.752 41.628 1.124 18805 478 1 2 . 1 1 42 42 LEU H H 42 7.909 7.909 7.788 0.121 18805 479 1 2 . 1 1 43 43 ALA N N 43 124.342 124.342 121.918 2.424 18805 480 1 2 . 1 1 43 43 ALA HA H 43 3.697 3.697 4.104 -0.407 18805 481 1 2 . 1 1 43 43 ALA C C 43 179.056 179.056 179.840 -0.784 18805 482 1 2 . 1 1 43 43 ALA CA C 43 55.561 55.561 54.600 0.961 18805 483 1 2 . 1 1 43 43 ALA CB C 43 17.186 17.186 18.633 -1.447 18805 484 1 2 . 1 1 43 43 ALA H H 43 8.647 8.647 7.915 0.732 18805 485 1 2 . 1 1 44 44 MET N N 44 115.878 115.878 116.232 -0.354 18805 486 1 2 . 1 1 44 44 MET HA H 44 4.262 4.262 4.125 0.137 18805 487 1 2 . 1 1 44 44 MET C C 44 179.154 179.154 178.124 1.030 18805 488 1 2 . 1 1 44 44 MET CA C 44 58.569 58.569 58.712 -0.143 18805 489 1 2 . 1 1 44 44 MET CB C 44 32.138 32.138 32.635 -0.497 18805 490 1 2 . 1 1 44 44 MET H H 44 7.926 7.926 7.718 0.208 18805 491 1 2 . 1 1 45 45 ARG N N 45 116.503 116.503 116.383 0.120 18805 492 1 2 . 1 1 45 45 ARG HA H 45 4.402 4.402 4.227 0.175 18805 493 1 2 . 1 1 45 45 ARG C C 45 177.591 177.591 178.751 -1.160 18805 494 1 2 . 1 1 45 45 ARG CA C 45 58.315 58.315 58.137 0.178 18805 495 1 2 . 1 1 45 45 ARG CB C 45 30.909 30.909 30.364 0.545 18805 496 1 2 . 1 1 45 45 ARG H H 45 7.903 7.903 7.705 0.198 18805 497 1 2 . 1 1 46 46 THR N N 46 105.711 105.711 108.876 -3.165 18805 498 1 2 . 1 1 46 46 THR HA H 46 4.501 4.501 4.339 0.162 18805 499 1 2 . 1 1 46 46 THR C C 46 174.417 174.417 174.466 -0.049 18805 500 1 2 . 1 1 46 46 THR CA C 46 61.808 61.808 62.768 -0.960 18805 501 1 2 . 1 1 46 46 THR CB C 46 70.714 70.714 69.078 1.637 18805 502 1 2 . 1 1 46 46 THR H H 46 7.662 7.662 8.097 -0.435 18805 503 1 2 . 1 1 47 47 ASP N N 47 120.391 120.391 117.761 2.630 18805 504 1 2 . 1 1 47 47 ASP HA H 47 4.472 4.472 4.383 0.089 18805 505 1 2 . 1 1 47 47 ASP C C 47 174.537 174.537 175.724 -1.187 18805 506 1 2 . 1 1 47 47 ASP CA C 47 55.933 55.933 55.766 0.168 18805 507 1 2 . 1 1 47 47 ASP CB C 47 39.565 39.565 39.306 0.259 18805 508 1 2 . 1 1 47 47 ASP H H 47 7.922 7.922 7.964 -0.042 18805 509 1 2 . 1 1 48 48 LEU N N 48 118.406 118.406 118.264 0.142 18805 510 1 2 . 1 1 48 48 LEU HA H 48 4.891 4.891 4.568 0.323 18805 511 1 2 . 1 1 48 48 LEU C C 48 176.180 176.180 176.970 -0.790 18805 512 1 2 . 1 1 48 48 LEU CA C 48 52.943 52.943 53.639 -0.695 18805 513 1 2 . 1 1 48 48 LEU CB C 48 46.638 46.638 43.308 3.330 18805 514 1 2 . 1 1 48 48 LEU H H 48 8.072 8.072 7.489 0.583 18805 515 1 2 . 1 1 49 49 THR N N 49 106.891 106.891 110.542 -3.651 18805 516 1 2 . 1 1 49 49 THR HA H 49 4.597 4.597 4.441 0.156 18805 517 1 2 . 1 1 49 49 THR C C 49 175.667 175.667 175.504 0.163 18805 518 1 2 . 1 1 49 49 THR CA C 49 59.573 59.573 60.953 -1.380 18805 519 1 2 . 1 1 49 49 THR CB C 49 71.085 71.085 70.555 0.530 18805 520 1 2 . 1 1 49 49 THR H H 49 7.071 7.071 7.991 -0.920 18805 521 1 2 . 1 1 50 50 GLU N N 50 124.013 124.013 125.510 -1.497 18805 522 1 2 . 1 1 50 50 GLU HA H 50 3.721 3.721 3.935 -0.214 18805 523 1 2 . 1 1 50 50 GLU C C 50 178.112 178.112 178.185 -0.073 18805 524 1 2 . 1 1 50 50 GLU CA C 50 60.982 60.982 60.227 0.755 18805 525 1 2 . 1 1 50 50 GLU CB C 50 28.654 28.654 29.443 -0.789 18805 526 1 2 . 1 1 50 50 GLU H H 50 9.271 9.271 9.069 0.202 18805 527 1 2 . 1 1 51 51 ALA N N 51 119.708 119.708 121.903 -2.195 18805 528 1 2 . 1 1 51 51 ALA HA H 51 4.108 4.108 4.154 -0.046 18805 529 1 2 . 1 1 51 51 ALA C C 51 180.493 180.493 179.713 0.780 18805 530 1 2 . 1 1 51 51 ALA CA C 51 55.200 55.200 55.032 0.168 18805 531 1 2 . 1 1 51 51 ALA CB C 51 18.397 18.397 18.102 0.295 18805 532 1 2 . 1 1 51 51 ALA H H 51 8.377 8.377 8.400 -0.023 18805 533 1 2 . 1 1 52 52 ARG N N 52 117.740 117.740 119.104 -1.364 18805 534 1 2 . 1 1 52 52 ARG HA H 52 4.213 4.213 4.215 -0.002 18805 535 1 2 . 1 1 52 52 ARG C C 52 179.734 179.734 178.808 0.926 18805 536 1 2 . 1 1 52 52 ARG CA C 52 59.006 59.006 59.063 -0.057 18805 537 1 2 . 1 1 52 52 ARG CB C 52 30.626 30.626 30.385 0.241 18805 538 1 2 . 1 1 52 52 ARG H H 52 7.756 7.756 7.595 0.162 18805 539 1 2 . 1 1 53 53 VAL N N 53 120.607 120.607 121.098 -0.491 18805 540 1 2 . 1 1 53 53 VAL HA H 53 3.706 3.706 3.794 -0.088 18805 541 1 2 . 1 1 53 53 VAL C C 53 177.734 177.734 178.503 -0.769 18805 542 1 2 . 1 1 53 53 VAL CA C 53 67.350 67.350 66.662 0.688 18805 543 1 2 . 1 1 53 53 VAL CB C 53 31.900 31.900 31.106 0.794 18805 544 1 2 . 1 1 53 53 VAL H H 53 8.206 8.206 8.349 -0.143 18805 545 1 2 . 1 1 54 54 GLN N N 54 119.441 119.441 118.489 0.952 18805 546 1 2 . 1 1 54 54 GLN HA H 54 4.401 4.401 4.260 0.141 18805 547 1 2 . 1 1 54 54 GLN C C 54 179.055 179.055 179.097 -0.042 18805 548 1 2 . 1 1 54 54 GLN CA C 54 60.036 60.036 58.986 1.050 18805 549 1 2 . 1 1 54 54 GLN CB C 54 28.509 28.509 28.422 0.087 18805 550 1 2 . 1 1 54 54 GLN H H 54 8.747 8.747 7.923 0.824 18805 551 1 2 . 1 1 55 55 VAL N N 55 119.951 119.951 120.111 -0.160 18805 552 1 2 . 1 1 55 55 VAL HA H 55 3.783 3.783 3.775 0.008 18805 553 1 2 . 1 1 55 55 VAL C C 55 177.751 177.751 177.936 -0.185 18805 554 1 2 . 1 1 55 55 VAL CA C 55 66.575 66.575 66.954 -0.379 18805 555 1 2 . 1 1 55 55 VAL CB C 55 32.017 32.017 31.395 0.622 18805 556 1 2 . 1 1 55 55 VAL H H 55 7.973 7.973 8.097 -0.124 18805 557 1 2 . 1 1 56 56 TRP N N 56 121.386 121.386 121.833 -0.447 18805 558 1 2 . 1 1 56 56 TRP HA H 56 4.075 4.075 4.136 -0.061 18805 559 1 2 . 1 1 56 56 TRP C C 56 179.849 179.849 178.070 1.779 18805 560 1 2 . 1 1 56 56 TRP CA C 56 63.249 63.249 61.835 1.414 18805 561 1 2 . 1 1 56 56 TRP CB C 56 28.266 28.266 29.382 -1.116 18805 562 1 2 . 1 1 56 56 TRP H H 56 8.351 8.351 8.188 0.163 18805 563 1 2 . 1 1 57 57 PHE N N 57 118.444 118.444 117.472 0.972 18805 564 1 2 . 1 1 57 57 PHE HA H 57 3.629 3.629 3.786 -0.157 18805 565 1 2 . 1 1 57 57 PHE C C 57 178.058 178.058 178.375 -0.317 18805 566 1 2 . 1 1 57 57 PHE CA C 57 63.831 63.831 62.567 1.264 18805 567 1 2 . 1 1 57 57 PHE CB C 57 39.161 39.161 38.666 0.495 18805 568 1 2 . 1 1 57 57 PHE H H 57 8.924 8.924 8.467 0.457 18805 569 1 2 . 1 1 58 58 GLN N N 58 119.552 119.552 116.864 2.688 18805 570 1 2 . 1 1 58 58 GLN HA H 58 3.958 3.958 4.031 -0.073 18805 571 1 2 . 1 1 58 58 GLN C C 58 179.475 179.475 178.597 0.878 18805 572 1 2 . 1 1 58 58 GLN CA C 58 59.730 59.730 58.324 1.406 18805 573 1 2 . 1 1 58 58 GLN CB C 58 28.108 28.108 28.144 -0.036 18805 574 1 2 . 1 1 58 58 GLN H H 58 8.322 8.322 8.358 -0.036 18805 575 1 2 . 1 1 59 59 ASN N N 59 119.095 119.095 118.853 0.242 18805 576 1 2 . 1 1 59 59 ASN HA H 59 4.344 4.344 4.423 -0.079 18805 577 1 2 . 1 1 59 59 ASN C C 59 177.212 177.212 177.504 -0.292 18805 578 1 2 . 1 1 59 59 ASN CA C 59 55.536 55.536 55.664 -0.128 18805 579 1 2 . 1 1 59 59 ASN CB C 59 37.920 37.920 38.494 -0.574 18805 580 1 2 . 1 1 59 59 ASN H H 59 8.158 8.158 7.941 0.217 18805 581 1 2 . 1 1 60 60 ARG N N 60 124.480 124.480 120.374 4.106 18805 582 1 2 . 1 1 60 60 ARG HA H 60 3.383 3.383 3.704 -0.321 18805 583 1 2 . 1 1 60 60 ARG C C 60 179.622 179.622 178.763 0.859 18805 584 1 2 . 1 1 60 60 ARG CA C 60 56.532 56.532 57.934 -1.402 18805 585 1 2 . 1 1 60 60 ARG CB C 60 27.904 27.904 28.930 -1.026 18805 586 1 2 . 1 1 60 60 ARG H H 60 8.494 8.494 7.911 0.583 18805 587 1 2 . 1 1 61 61 ARG N N 61 118.870 118.870 118.825 0.045 18805 588 1 2 . 1 1 61 61 ARG HA H 61 3.946 3.946 4.251 -0.305 18805 589 1 2 . 1 1 61 61 ARG C C 61 178.392 178.392 178.562 -0.170 18805 590 1 2 . 1 1 61 61 ARG CA C 61 60.599 60.599 59.736 0.863 18805 591 1 2 . 1 1 61 61 ARG CB C 61 31.546 31.546 30.140 1.406 18805 592 1 2 . 1 1 61 61 ARG H H 61 8.310 8.310 8.305 0.005 18805 593 1 2 . 1 1 62 62 ALA N N 62 121.373 121.373 122.438 -1.065 18805 594 1 2 . 1 1 62 62 ALA HA H 62 4.163 4.163 4.131 0.032 18805 595 1 2 . 1 1 62 62 ALA C C 62 179.899 179.899 178.500 1.399 18805 596 1 2 . 1 1 62 62 ALA CA C 62 55.109 55.109 54.880 0.229 18805 597 1 2 . 1 1 62 62 ALA CB C 62 17.754 17.754 18.369 -0.615 18805 598 1 2 . 1 1 62 62 ALA H H 62 7.382 7.382 7.763 -0.381 18805 599 1 2 . 1 1 63 63 LYS N N 63 118.540 118.540 115.617 2.923 18805 600 1 2 . 1 1 63 63 LYS HA H 63 3.986 3.986 4.136 -0.150 18805 601 1 2 . 1 1 63 63 LYS C C 63 178.259 178.259 179.298 -1.039 18805 602 1 2 . 1 1 63 63 LYS CA C 63 58.727 58.727 58.106 0.621 18805 603 1 2 . 1 1 63 63 LYS CB C 63 32.634 32.634 32.479 0.155 18805 604 1 2 . 1 1 63 63 LYS H H 63 7.573 7.573 7.562 0.011 18805 605 1 2 . 1 1 64 64 TRP N N 64 121.094 121.094 121.633 -0.539 18805 606 1 2 . 1 1 64 64 TRP HA H 64 4.436 4.436 4.462 -0.026 18805 607 1 2 . 1 1 64 64 TRP C C 64 177.662 177.662 176.712 0.950 18805 608 1 2 . 1 1 64 64 TRP CA C 64 60.130 60.130 60.149 -0.019 18805 609 1 2 . 1 1 64 64 TRP CB C 64 29.138 29.138 29.956 -0.818 18805 610 1 2 . 1 1 64 64 TRP H H 64 8.032 8.032 7.946 0.086 18805 611 1 2 . 1 1 65 65 ARG N N 65 118.674 118.674 117.158 1.516 18805 612 1 2 . 1 1 65 65 ARG HA H 65 3.783 3.783 4.231 -0.448 18805 613 1 2 . 1 1 65 65 ARG C C 65 177.342 177.342 176.132 1.210 18805 614 1 2 . 1 1 65 65 ARG CA C 65 58.290 58.290 54.944 3.345 18805 615 1 2 . 1 1 65 65 ARG CB C 65 30.580 30.580 29.732 0.848 18805 616 1 2 . 1 1 65 65 ARG H H 65 8.232 8.232 7.670 0.562 18805 617 1 2 . 1 1 66 66 LYS N N 66 118.567 118.567 121.912 -3.345 18805 618 1 2 . 1 1 66 66 LYS HA H 66 4.122 4.122 4.146 -0.024 18805 619 1 2 . 1 1 66 66 LYS C C 66 177.060 177.060 176.646 0.414 18805 620 1 2 . 1 1 66 66 LYS CA C 66 57.389 57.389 56.075 1.314 18805 621 1 2 . 1 1 66 66 LYS CB C 66 32.659 32.659 31.858 0.801 18805 622 1 2 . 1 1 66 66 LYS H H 66 7.591 7.591 7.147 0.444 18805 623 1 2 . 1 1 67 67 ARG N N 67 119.185 119.185 127.482 -8.297 18805 624 1 2 . 1 1 67 67 ARG HA H 67 4.183 4.183 4.256 -0.073 18805 625 1 2 . 1 1 67 67 ARG C C 67 176.830 176.830 175.508 1.322 18805 626 1 2 . 1 1 67 67 ARG CA C 67 56.879 56.879 55.662 1.217 18805 627 1 2 . 1 1 67 67 ARG CB C 67 30.226 30.226 31.274 -1.048 18805 628 1 2 . 1 1 67 67 ARG H H 67 7.722 7.722 8.307 -0.585 18805 629 1 2 . 1 1 68 68 GLU N N 68 120.614 120.614 118.765 1.849 18805 630 1 2 . 1 1 68 68 GLU HA H 68 4.087 4.087 4.179 -0.092 18805 631 1 2 . 1 1 68 68 GLU C C 68 176.803 176.803 174.748 2.055 18805 632 1 2 . 1 1 68 68 GLU CA C 68 57.076 57.076 56.932 0.144 18805 633 1 2 . 1 1 68 68 GLU CB C 68 30.099 30.099 29.727 0.372 18805 634 1 2 . 1 1 68 68 GLU H H 68 8.157 8.157 8.510 -0.353 18805 635 1 2 . 1 1 69 69 ARG N N 69 120.012 120.012 123.467 -3.455 18805 636 1 2 . 1 1 69 69 ARG C C 69 176.270 176.270 174.583 1.687 18805 637 1 2 . 1 1 69 69 ARG CA C 69 66.543 66.543 55.678 10.865 18805 638 1 2 . 1 1 69 69 ARG CB C 69 32.203 32.203 30.593 1.610 18805 639 1 2 . 1 1 69 69 ARG H H 69 7.974 7.974 8.395 -0.421 18805 640 1 2 . 1 1 70 70 PHE HA H 70 4.577 4.577 4.811 -0.234 18805 641 1 2 . 1 1 70 70 PHE CA C 70 58.021 58.021 56.960 1.061 18805 642 1 2 . 1 1 70 70 PHE CB C 70 39.295 39.295 40.525 -1.230 18805 643 1 3 . 1 1 16 16 PHE HA H 16 5.000 5.000 4.455 0.545 18805 644 1 3 . 1 1 16 16 PHE C C 16 176.744 176.744 175.170 1.574 18805 645 1 3 . 1 1 16 16 PHE CA C 16 57.425 57.425 58.179 -0.755 18805 646 1 3 . 1 1 16 16 PHE CB C 16 41.475 41.475 38.450 3.025 18805 647 1 3 . 1 1 16 16 PHE H H 16 9.114 9.114 8.238 0.876 18805 648 1 3 . 1 1 17 17 THR N N 17 113.394 113.394 112.712 0.682 18805 649 1 3 . 1 1 17 17 THR HA H 17 4.552 4.552 4.731 -0.179 18805 650 1 3 . 1 1 17 17 THR C C 17 175.352 175.352 174.835 0.517 18805 651 1 3 . 1 1 17 17 THR CA C 17 60.392 60.392 59.703 0.689 18805 652 1 3 . 1 1 17 17 THR CB C 17 71.013 71.013 70.245 0.768 18805 653 1 3 . 1 1 17 17 THR H H 17 9.106 9.106 8.448 0.658 18805 654 1 3 . 1 1 18 18 SER HA H 18 4.146 4.146 4.198 -0.052 18805 655 1 3 . 1 1 18 18 SER C C 18 176.860 176.860 176.072 0.788 18805 656 1 3 . 1 1 18 18 SER CA C 18 62.173 62.173 61.588 0.585 18805 657 1 3 . 1 1 18 18 SER CB C 18 62.172 62.172 63.059 -0.887 18805 658 1 3 . 1 1 19 19 TYR N N 19 121.561 121.561 122.327 -0.766 18805 659 1 3 . 1 1 19 19 TYR HA H 19 4.340 4.340 4.146 0.194 18805 660 1 3 . 1 1 19 19 TYR C C 19 176.860 176.860 177.315 -0.455 18805 661 1 3 . 1 1 19 19 TYR CA C 19 60.736 60.736 61.919 -1.183 18805 662 1 3 . 1 1 19 19 TYR CB C 19 38.557 38.557 37.856 0.701 18805 663 1 3 . 1 1 19 19 TYR H H 19 8.145 8.145 8.524 -0.379 18805 664 1 3 . 1 1 20 20 GLN N N 20 116.967 116.967 117.275 -0.308 18805 665 1 3 . 1 1 20 20 GLN HA H 20 3.359 3.359 3.686 -0.327 18805 666 1 3 . 1 1 20 20 GLN C C 20 177.344 177.344 178.121 -0.777 18805 667 1 3 . 1 1 20 20 GLN CA C 20 59.633 59.633 59.317 0.316 18805 668 1 3 . 1 1 20 20 GLN CB C 20 27.866 27.866 28.451 -0.585 18805 669 1 3 . 1 1 20 20 GLN H H 20 7.545 7.545 8.401 -0.856 18805 670 1 3 . 1 1 21 21 LEU N N 21 115.751 115.751 119.255 -3.504 18805 671 1 3 . 1 1 21 21 LEU HA H 21 3.532 3.532 3.547 -0.015 18805 672 1 3 . 1 1 21 21 LEU C C 21 178.858 178.858 178.731 0.127 18805 673 1 3 . 1 1 21 21 LEU CA C 21 57.774 57.774 58.094 -0.320 18805 674 1 3 . 1 1 21 21 LEU CB C 21 41.660 41.660 41.330 0.330 18805 675 1 3 . 1 1 21 21 LEU H H 21 8.116 8.116 8.270 -0.154 18805 676 1 3 . 1 1 22 22 GLU N N 22 118.939 118.939 119.150 -0.211 18805 677 1 3 . 1 1 22 22 GLU HA H 22 3.876 3.876 3.887 -0.011 18805 678 1 3 . 1 1 22 22 GLU C C 22 179.617 179.617 179.256 0.361 18805 679 1 3 . 1 1 22 22 GLU CA C 22 59.244 59.244 59.567 -0.323 18805 680 1 3 . 1 1 22 22 GLU CB C 22 29.454 29.454 29.172 0.282 18805 681 1 3 . 1 1 22 22 GLU H H 22 8.108 8.108 7.874 0.234 18805 682 1 3 . 1 1 23 23 GLU N N 23 117.643 117.643 118.714 -1.071 18805 683 1 3 . 1 1 23 23 GLU HA H 23 3.699 3.699 4.011 -0.312 18805 684 1 3 . 1 1 23 23 GLU C C 23 179.328 179.328 179.092 0.236 18805 685 1 3 . 1 1 23 23 GLU CA C 23 58.616 58.616 58.058 0.558 18805 686 1 3 . 1 1 23 23 GLU CB C 23 29.191 29.191 29.221 -0.030 18805 687 1 3 . 1 1 23 23 GLU H H 23 7.631 7.631 7.428 0.203 18805 688 1 3 . 1 1 24 24 LEU N N 24 122.218 122.218 120.417 1.801 18805 689 1 3 . 1 1 24 24 LEU HA H 24 3.490 3.490 3.503 -0.013 18805 690 1 3 . 1 1 24 24 LEU C C 24 177.731 177.731 178.536 -0.805 18805 691 1 3 . 1 1 24 24 LEU CA C 24 58.732 58.732 57.850 0.882 18805 692 1 3 . 1 1 24 24 LEU CB C 24 38.207 38.207 40.450 -2.243 18805 693 1 3 . 1 1 24 24 LEU H H 24 7.995 7.995 7.764 0.231 18805 694 1 3 . 1 1 25 25 GLU N N 25 118.406 118.406 118.189 0.217 18805 695 1 3 . 1 1 25 25 GLU HA H 25 4.278 4.278 4.052 0.226 18805 696 1 3 . 1 1 25 25 GLU C C 25 179.059 179.059 179.073 -0.014 18805 697 1 3 . 1 1 25 25 GLU CA C 25 58.612 58.612 59.569 -0.957 18805 698 1 3 . 1 1 25 25 GLU CB C 25 28.957 28.957 29.022 -0.065 18805 699 1 3 . 1 1 25 25 GLU H H 25 7.833 7.833 8.059 -0.226 18805 700 1 3 . 1 1 26 26 LYS N N 26 118.033 118.033 119.455 -1.422 18805 701 1 3 . 1 1 26 26 LYS HA H 26 3.978 3.978 3.996 -0.018 18805 702 1 3 . 1 1 26 26 LYS C C 26 180.388 180.388 179.226 1.162 18805 703 1 3 . 1 1 26 26 LYS CA C 26 59.919 59.919 59.308 0.611 18805 704 1 3 . 1 1 26 26 LYS CB C 26 32.821 32.821 32.317 0.504 18805 705 1 3 . 1 1 26 26 LYS H H 26 7.795 7.795 7.413 0.382 18805 706 1 3 . 1 1 27 27 VAL N N 27 118.207 118.207 118.296 -0.089 18805 707 1 3 . 1 1 27 27 VAL HA H 27 3.853 3.853 3.690 0.163 18805 708 1 3 . 1 1 27 27 VAL C C 27 177.057 177.057 178.111 -1.054 18805 709 1 3 . 1 1 27 27 VAL CA C 27 66.944 66.944 65.773 1.171 18805 710 1 3 . 1 1 27 27 VAL CB C 27 31.034 31.034 31.702 -0.668 18805 711 1 3 . 1 1 27 27 VAL H H 27 7.316 7.316 7.373 -0.057 18805 712 1 3 . 1 1 28 28 PHE N N 28 122.791 122.791 120.876 1.915 18805 713 1 3 . 1 1 28 28 PHE HA H 28 4.744 4.744 4.792 -0.048 18805 714 1 3 . 1 1 28 28 PHE C C 28 175.721 175.721 176.881 -1.160 18805 715 1 3 . 1 1 28 28 PHE CA C 28 61.452 61.452 60.786 0.666 18805 716 1 3 . 1 1 28 28 PHE CB C 28 38.872 38.872 39.653 -0.781 18805 717 1 3 . 1 1 28 28 PHE H H 28 8.540 8.540 7.957 0.583 18805 718 1 3 . 1 1 29 29 GLN N N 29 112.048 112.048 116.965 -4.917 18805 719 1 3 . 1 1 29 29 GLN HA H 29 3.843 3.843 4.075 -0.232 18805 720 1 3 . 1 1 29 29 GLN C C 29 177.467 177.467 177.502 -0.035 18805 721 1 3 . 1 1 29 29 GLN CA C 29 57.595 57.595 57.346 0.249 18805 722 1 3 . 1 1 29 29 GLN CB C 29 28.204 28.204 28.599 -0.395 18805 723 1 3 . 1 1 29 29 GLN H H 29 8.129 8.129 7.923 0.206 18805 724 1 3 . 1 1 30 30 LYS N N 30 118.854 118.854 118.055 0.799 18805 725 1 3 . 1 1 30 30 LYS HA H 30 4.260 4.260 4.188 0.072 18805 726 1 3 . 1 1 30 30 LYS C C 30 176.920 176.920 177.014 -0.094 18805 727 1 3 . 1 1 30 30 LYS CA C 30 57.449 57.449 57.568 -0.119 18805 728 1 3 . 1 1 30 30 LYS CB C 30 33.450 33.450 33.559 -0.109 18805 729 1 3 . 1 1 30 30 LYS H H 30 7.599 7.599 7.707 -0.108 18805 730 1 3 . 1 1 31 31 THR N N 31 115.210 115.210 111.662 3.548 18805 731 1 3 . 1 1 31 31 THR HA H 31 4.279 4.279 4.234 0.045 18805 732 1 3 . 1 1 31 31 THR C C 31 171.092 171.092 173.455 -2.363 18805 733 1 3 . 1 1 31 31 THR CA C 31 59.113 59.113 60.282 -1.169 18805 734 1 3 . 1 1 31 31 THR CB C 31 69.375 69.375 69.945 -0.570 18805 735 1 3 . 1 1 31 31 THR H H 31 8.840 8.840 7.917 0.923 18805 736 1 3 . 1 1 32 32 HIS N N 32 123.048 123.048 124.473 -1.425 18805 737 1 3 . 1 1 32 32 HIS HA H 32 4.343 4.343 3.986 0.357 18805 738 1 3 . 1 1 32 32 HIS C C 32 174.598 174.598 174.311 0.287 18805 739 1 3 . 1 1 32 32 HIS CA C 32 55.323 55.323 58.172 -2.849 18805 740 1 3 . 1 1 32 32 HIS CB C 32 30.975 30.975 29.684 1.291 18805 741 1 3 . 1 1 32 32 HIS H H 32 8.342 8.342 8.567 -0.225 18805 742 1 3 . 1 1 33 33 TYR N N 33 114.650 114.650 116.137 -1.487 18805 743 1 3 . 1 1 33 33 TYR HA H 33 4.703 4.703 4.936 -0.233 18805 744 1 3 . 1 1 33 33 TYR C C 33 172.558 172.558 172.888 -0.330 18805 745 1 3 . 1 1 33 33 TYR CA C 33 55.146 55.146 53.373 1.773 18805 746 1 3 . 1 1 33 33 TYR CB C 33 38.868 38.868 37.737 1.131 18805 747 1 3 . 1 1 33 33 TYR H H 33 8.109 8.109 7.398 0.711 18805 748 1 3 . 1 1 34 34 PRO HA H 34 4.273 4.273 4.333 -0.060 18805 749 1 3 . 1 1 34 34 PRO C C 34 177.097 177.097 176.130 0.967 18805 750 1 3 . 1 1 34 34 PRO CA C 34 62.413 62.413 62.295 0.118 18805 751 1 3 . 1 1 34 34 PRO CB C 34 30.790 30.790 31.918 -1.127 18805 752 1 3 . 1 1 35 35 ASP N N 35 124.197 124.197 123.879 0.318 18805 753 1 3 . 1 1 35 35 ASP HA H 35 4.447 4.447 4.438 0.009 18805 754 1 3 . 1 1 35 35 ASP C C 35 175.603 175.603 177.675 -2.072 18805 755 1 3 . 1 1 35 35 ASP CA C 35 52.685 52.685 53.997 -1.312 18805 756 1 3 . 1 1 35 35 ASP CB C 35 40.952 40.952 42.106 -1.154 18805 757 1 3 . 1 1 35 35 ASP H H 35 8.547 8.547 8.421 0.126 18805 758 1 3 . 1 1 36 36 VAL N N 36 118.006 118.006 119.509 -1.503 18805 759 1 3 . 1 1 36 36 VAL HA H 36 3.473 3.473 3.755 -0.282 18805 760 1 3 . 1 1 36 36 VAL C C 36 176.268 176.268 176.963 -0.695 18805 761 1 3 . 1 1 36 36 VAL CA C 36 66.404 66.404 65.338 1.066 18805 762 1 3 . 1 1 36 36 VAL CB C 36 31.419 31.419 31.635 -0.216 18805 763 1 3 . 1 1 36 36 VAL H H 36 8.281 8.281 8.532 -0.251 18805 764 1 3 . 1 1 37 37 TYR N N 37 121.225 121.225 120.291 0.934 18805 765 1 3 . 1 1 37 37 TYR HA H 37 4.305 4.305 4.250 0.055 18805 766 1 3 . 1 1 37 37 TYR C C 37 178.136 178.136 176.553 1.583 18805 767 1 3 . 1 1 37 37 TYR CA C 37 60.808 60.808 61.376 -0.568 18805 768 1 3 . 1 1 37 37 TYR CB C 37 37.392 37.392 38.325 -0.933 18805 769 1 3 . 1 1 37 37 TYR H H 37 7.423 7.423 7.787 -0.364 18805 770 1 3 . 1 1 38 38 ALA N N 38 122.550 122.550 122.458 0.092 18805 771 1 3 . 1 1 38 38 ALA HA H 38 4.071 4.071 4.408 -0.337 18805 772 1 3 . 1 1 38 38 ALA C C 38 182.258 182.258 179.825 2.433 18805 773 1 3 . 1 1 38 38 ALA CA C 38 54.885 54.885 54.352 0.533 18805 774 1 3 . 1 1 38 38 ALA CB C 38 18.336 18.336 18.461 -0.125 18805 775 1 3 . 1 1 38 38 ALA H H 38 8.376 8.376 8.062 0.314 18805 776 1 3 . 1 1 39 39 ARG N N 39 117.400 117.400 117.851 -0.451 18805 777 1 3 . 1 1 39 39 ARG HA H 39 3.834 3.834 3.965 -0.131 18805 778 1 3 . 1 1 39 39 ARG C C 39 178.142 178.142 178.784 -0.642 18805 779 1 3 . 1 1 39 39 ARG CA C 39 60.991 60.991 59.397 1.594 18805 780 1 3 . 1 1 39 39 ARG CB C 39 31.335 31.335 30.009 1.326 18805 781 1 3 . 1 1 39 39 ARG H H 39 8.699 8.699 8.202 0.497 18805 782 1 3 . 1 1 40 40 GLU N N 40 121.231 121.231 119.926 1.305 18805 783 1 3 . 1 1 40 40 GLU HA H 40 3.943 3.943 3.948 -0.005 18805 784 1 3 . 1 1 40 40 GLU C C 40 179.598 179.598 178.847 0.751 18805 785 1 3 . 1 1 40 40 GLU CA C 40 59.805 59.805 59.345 0.460 18805 786 1 3 . 1 1 40 40 GLU CB C 40 29.508 29.508 29.009 0.499 18805 787 1 3 . 1 1 40 40 GLU H H 40 8.672 8.672 7.648 1.024 18805 788 1 3 . 1 1 41 41 GLN N N 41 118.662 118.662 118.272 0.390 18805 789 1 3 . 1 1 41 41 GLN HA H 41 3.958 3.958 3.913 0.045 18805 790 1 3 . 1 1 41 41 GLN C C 41 178.675 178.675 178.799 -0.124 18805 791 1 3 . 1 1 41 41 GLN CA C 41 58.594 58.594 58.373 0.221 18805 792 1 3 . 1 1 41 41 GLN CB C 41 28.396 28.396 28.535 -0.139 18805 793 1 3 . 1 1 41 41 GLN H H 41 8.264 8.264 7.554 0.710 18805 794 1 3 . 1 1 42 42 LEU N N 42 121.044 121.044 119.611 1.433 18805 795 1 3 . 1 1 42 42 LEU HA H 42 4.009 4.009 4.056 -0.047 18805 796 1 3 . 1 1 42 42 LEU C C 42 179.727 179.727 177.965 1.762 18805 797 1 3 . 1 1 42 42 LEU CA C 42 57.600 57.600 56.877 0.723 18805 798 1 3 . 1 1 42 42 LEU CB C 42 42.752 42.752 41.667 1.085 18805 799 1 3 . 1 1 42 42 LEU H H 42 7.909 7.909 7.471 0.438 18805 800 1 3 . 1 1 43 43 ALA N N 43 124.342 124.342 122.573 1.769 18805 801 1 3 . 1 1 43 43 ALA HA H 43 3.697 3.697 4.203 -0.506 18805 802 1 3 . 1 1 43 43 ALA C C 43 179.056 179.056 179.482 -0.426 18805 803 1 3 . 1 1 43 43 ALA CA C 43 55.561 55.561 54.603 0.958 18805 804 1 3 . 1 1 43 43 ALA CB C 43 17.186 17.186 18.719 -1.533 18805 805 1 3 . 1 1 43 43 ALA H H 43 8.647 8.647 8.088 0.559 18805 806 1 3 . 1 1 44 44 MET N N 44 115.878 115.878 115.504 0.374 18805 807 1 3 . 1 1 44 44 MET HA H 44 4.262 4.262 4.332 -0.070 18805 808 1 3 . 1 1 44 44 MET C C 44 179.154 179.154 177.589 1.565 18805 809 1 3 . 1 1 44 44 MET CA C 44 58.569 58.569 56.045 2.524 18805 810 1 3 . 1 1 44 44 MET CB C 44 32.138 32.138 31.343 0.795 18805 811 1 3 . 1 1 44 44 MET H H 44 7.926 7.926 8.004 -0.078 18805 812 1 3 . 1 1 45 45 ARG N N 45 116.503 116.503 118.921 -2.418 18805 813 1 3 . 1 1 45 45 ARG HA H 45 4.402 4.402 4.488 -0.086 18805 814 1 3 . 1 1 45 45 ARG C C 45 177.591 177.591 178.434 -0.843 18805 815 1 3 . 1 1 45 45 ARG CA C 45 58.315 58.315 57.798 0.517 18805 816 1 3 . 1 1 45 45 ARG CB C 45 30.909 30.909 30.745 0.164 18805 817 1 3 . 1 1 45 45 ARG H H 45 7.903 7.903 7.678 0.225 18805 818 1 3 . 1 1 46 46 THR N N 46 105.711 105.711 108.361 -2.650 18805 819 1 3 . 1 1 46 46 THR HA H 46 4.501 4.501 4.484 0.017 18805 820 1 3 . 1 1 46 46 THR C C 46 174.417 174.417 174.954 -0.537 18805 821 1 3 . 1 1 46 46 THR CA C 46 61.808 61.808 62.333 -0.525 18805 822 1 3 . 1 1 46 46 THR CB C 46 70.714 70.714 69.801 0.913 18805 823 1 3 . 1 1 46 46 THR H H 46 7.662 7.662 8.011 -0.349 18805 824 1 3 . 1 1 47 47 ASP N N 47 120.391 120.391 118.295 2.096 18805 825 1 3 . 1 1 47 47 ASP HA H 47 4.472 4.472 4.318 0.154 18805 826 1 3 . 1 1 47 47 ASP C C 47 174.537 174.537 175.245 -0.708 18805 827 1 3 . 1 1 47 47 ASP CA C 47 55.933 55.933 56.000 -0.067 18805 828 1 3 . 1 1 47 47 ASP CB C 47 39.565 39.565 39.286 0.279 18805 829 1 3 . 1 1 47 47 ASP H H 47 7.922 7.922 8.205 -0.283 18805 830 1 3 . 1 1 48 48 LEU N N 48 118.406 118.406 119.324 -0.918 18805 831 1 3 . 1 1 48 48 LEU HA H 48 4.891 4.891 4.484 0.407 18805 832 1 3 . 1 1 48 48 LEU C C 48 176.180 176.180 177.323 -1.143 18805 833 1 3 . 1 1 48 48 LEU CA C 48 52.943 52.943 54.625 -1.682 18805 834 1 3 . 1 1 48 48 LEU CB C 48 46.638 46.638 42.897 3.741 18805 835 1 3 . 1 1 48 48 LEU H H 48 8.072 8.072 7.347 0.725 18805 836 1 3 . 1 1 49 49 THR N N 49 106.891 106.891 117.001 -10.110 18805 837 1 3 . 1 1 49 49 THR HA H 49 4.597 4.597 4.395 0.202 18805 838 1 3 . 1 1 49 49 THR C C 49 175.667 175.667 176.065 -0.398 18805 839 1 3 . 1 1 49 49 THR CA C 49 59.573 59.573 61.885 -2.312 18805 840 1 3 . 1 1 49 49 THR CB C 49 71.085 71.085 69.890 1.195 18805 841 1 3 . 1 1 49 49 THR H H 49 7.071 7.071 8.266 -1.195 18805 842 1 3 . 1 1 50 50 GLU N N 50 124.013 124.013 124.702 -0.689 18805 843 1 3 . 1 1 50 50 GLU HA H 50 3.721 3.721 3.878 -0.157 18805 844 1 3 . 1 1 50 50 GLU C C 50 178.112 178.112 178.554 -0.442 18805 845 1 3 . 1 1 50 50 GLU CA C 50 60.982 60.982 60.757 0.225 18805 846 1 3 . 1 1 50 50 GLU CB C 50 28.654 28.654 29.384 -0.730 18805 847 1 3 . 1 1 50 50 GLU H H 50 9.271 9.271 9.055 0.216 18805 848 1 3 . 1 1 51 51 ALA N N 51 119.708 119.708 121.824 -2.116 18805 849 1 3 . 1 1 51 51 ALA HA H 51 4.108 4.108 4.152 -0.044 18805 850 1 3 . 1 1 51 51 ALA C C 51 180.493 180.493 179.997 0.496 18805 851 1 3 . 1 1 51 51 ALA CA C 51 55.200 55.200 55.304 -0.104 18805 852 1 3 . 1 1 51 51 ALA CB C 51 18.397 18.397 18.146 0.251 18805 853 1 3 . 1 1 51 51 ALA H H 51 8.377 8.377 8.477 -0.100 18805 854 1 3 . 1 1 52 52 ARG N N 52 117.740 117.740 118.870 -1.130 18805 855 1 3 . 1 1 52 52 ARG HA H 52 4.213 4.213 4.229 -0.016 18805 856 1 3 . 1 1 52 52 ARG C C 52 179.734 179.734 179.220 0.514 18805 857 1 3 . 1 1 52 52 ARG CA C 52 59.006 59.006 59.093 -0.087 18805 858 1 3 . 1 1 52 52 ARG CB C 52 30.626 30.626 30.226 0.400 18805 859 1 3 . 1 1 52 52 ARG H H 52 7.756 7.756 7.867 -0.111 18805 860 1 3 . 1 1 53 53 VAL N N 53 120.607 120.607 120.750 -0.143 18805 861 1 3 . 1 1 53 53 VAL HA H 53 3.706 3.706 3.685 0.021 18805 862 1 3 . 1 1 53 53 VAL C C 53 177.734 177.734 177.993 -0.259 18805 863 1 3 . 1 1 53 53 VAL CA C 53 67.350 67.350 66.838 0.512 18805 864 1 3 . 1 1 53 53 VAL CB C 53 31.900 31.900 31.577 0.323 18805 865 1 3 . 1 1 53 53 VAL H H 53 8.206 8.206 8.391 -0.185 18805 866 1 3 . 1 1 54 54 GLN N N 54 119.441 119.441 118.737 0.704 18805 867 1 3 . 1 1 54 54 GLN HA H 54 4.401 4.401 4.105 0.296 18805 868 1 3 . 1 1 54 54 GLN C C 54 179.055 179.055 178.932 0.123 18805 869 1 3 . 1 1 54 54 GLN CA C 54 60.036 60.036 59.365 0.671 18805 870 1 3 . 1 1 54 54 GLN CB C 54 28.509 28.509 28.757 -0.248 18805 871 1 3 . 1 1 54 54 GLN H H 54 8.747 8.747 7.923 0.824 18805 872 1 3 . 1 1 55 55 VAL N N 55 119.951 119.951 119.848 0.103 18805 873 1 3 . 1 1 55 55 VAL HA H 55 3.783 3.783 3.797 -0.014 18805 874 1 3 . 1 1 55 55 VAL C C 55 177.751 177.751 177.553 0.198 18805 875 1 3 . 1 1 55 55 VAL CA C 55 66.575 66.575 67.207 -0.632 18805 876 1 3 . 1 1 55 55 VAL CB C 55 32.017 32.017 31.426 0.591 18805 877 1 3 . 1 1 55 55 VAL H H 55 7.973 7.973 8.388 -0.415 18805 878 1 3 . 1 1 56 56 TRP N N 56 121.386 121.386 121.602 -0.216 18805 879 1 3 . 1 1 56 56 TRP HA H 56 4.075 4.075 4.201 -0.126 18805 880 1 3 . 1 1 56 56 TRP C C 56 179.849 179.849 178.158 1.691 18805 881 1 3 . 1 1 56 56 TRP CA C 56 63.249 63.249 61.811 1.438 18805 882 1 3 . 1 1 56 56 TRP CB C 56 28.266 28.266 29.363 -1.097 18805 883 1 3 . 1 1 56 56 TRP H H 56 8.351 8.351 7.830 0.521 18805 884 1 3 . 1 1 57 57 PHE N N 57 118.444 118.444 117.118 1.326 18805 885 1 3 . 1 1 57 57 PHE HA H 57 3.629 3.629 4.020 -0.391 18805 886 1 3 . 1 1 57 57 PHE C C 57 178.058 178.058 178.356 -0.298 18805 887 1 3 . 1 1 57 57 PHE CA C 57 63.831 63.831 62.535 1.296 18805 888 1 3 . 1 1 57 57 PHE CB C 57 39.161 39.161 38.884 0.277 18805 889 1 3 . 1 1 57 57 PHE H H 57 8.924 8.924 8.244 0.680 18805 890 1 3 . 1 1 58 58 GLN N N 58 119.552 119.552 118.301 1.251 18805 891 1 3 . 1 1 58 58 GLN HA H 58 3.958 3.958 4.045 -0.087 18805 892 1 3 . 1 1 58 58 GLN C C 58 179.475 179.475 178.485 0.990 18805 893 1 3 . 1 1 58 58 GLN CA C 58 59.730 59.730 59.247 0.483 18805 894 1 3 . 1 1 58 58 GLN CB C 58 28.108 28.108 28.400 -0.292 18805 895 1 3 . 1 1 58 58 GLN H H 58 8.322 8.322 8.641 -0.319 18805 896 1 3 . 1 1 59 59 ASN N N 59 119.095 119.095 118.266 0.829 18805 897 1 3 . 1 1 59 59 ASN HA H 59 4.344 4.344 4.430 -0.086 18805 898 1 3 . 1 1 59 59 ASN C C 59 177.212 177.212 177.696 -0.484 18805 899 1 3 . 1 1 59 59 ASN CA C 59 55.536 55.536 56.024 -0.488 18805 900 1 3 . 1 1 59 59 ASN CB C 59 37.920 37.920 38.066 -0.146 18805 901 1 3 . 1 1 59 59 ASN H H 59 8.158 8.158 8.171 -0.013 18805 902 1 3 . 1 1 60 60 ARG N N 60 124.480 124.480 120.979 3.501 18805 903 1 3 . 1 1 60 60 ARG HA H 60 3.383 3.383 3.751 -0.368 18805 904 1 3 . 1 1 60 60 ARG C C 60 179.622 179.622 178.900 0.722 18805 905 1 3 . 1 1 60 60 ARG CA C 60 56.532 56.532 58.665 -2.133 18805 906 1 3 . 1 1 60 60 ARG CB C 60 27.904 27.904 29.011 -1.107 18805 907 1 3 . 1 1 60 60 ARG H H 60 8.494 8.494 7.725 0.769 18805 908 1 3 . 1 1 61 61 ARG N N 61 118.870 118.870 119.590 -0.720 18805 909 1 3 . 1 1 61 61 ARG HA H 61 3.946 3.946 4.340 -0.394 18805 910 1 3 . 1 1 61 61 ARG C C 61 178.392 178.392 178.818 -0.426 18805 911 1 3 . 1 1 61 61 ARG CA C 61 60.599 60.599 59.581 1.018 18805 912 1 3 . 1 1 61 61 ARG CB C 61 31.546 31.546 30.167 1.379 18805 913 1 3 . 1 1 61 61 ARG H H 61 8.310 8.310 8.441 -0.131 18805 914 1 3 . 1 1 62 62 ALA N N 62 121.373 121.373 121.587 -0.214 18805 915 1 3 . 1 1 62 62 ALA HA H 62 4.163 4.163 4.228 -0.065 18805 916 1 3 . 1 1 62 62 ALA C C 62 179.899 179.899 179.041 0.858 18805 917 1 3 . 1 1 62 62 ALA CA C 62 55.109 55.109 54.616 0.493 18805 918 1 3 . 1 1 62 62 ALA CB C 62 17.754 17.754 18.593 -0.839 18805 919 1 3 . 1 1 62 62 ALA H H 62 7.382 7.382 8.225 -0.843 18805 920 1 3 . 1 1 63 63 LYS N N 63 118.540 118.540 116.191 2.349 18805 921 1 3 . 1 1 63 63 LYS HA H 63 3.986 3.986 4.241 -0.255 18805 922 1 3 . 1 1 63 63 LYS C C 63 178.259 178.259 178.517 -0.258 18805 923 1 3 . 1 1 63 63 LYS CA C 63 58.727 58.727 58.632 0.095 18805 924 1 3 . 1 1 63 63 LYS CB C 63 32.634 32.634 32.852 -0.218 18805 925 1 3 . 1 1 63 63 LYS H H 63 7.573 7.573 7.834 -0.261 18805 926 1 3 . 1 1 64 64 TRP N N 64 121.094 121.094 122.614 -1.520 18805 927 1 3 . 1 1 64 64 TRP HA H 64 4.436 4.436 4.390 0.046 18805 928 1 3 . 1 1 64 64 TRP C C 64 177.662 177.662 177.280 0.382 18805 929 1 3 . 1 1 64 64 TRP CA C 64 60.130 60.130 60.666 -0.536 18805 930 1 3 . 1 1 64 64 TRP CB C 64 29.138 29.138 30.311 -1.173 18805 931 1 3 . 1 1 64 64 TRP H H 64 8.032 8.032 8.109 -0.077 18805 932 1 3 . 1 1 65 65 ARG N N 65 118.674 118.674 121.569 -2.895 18805 933 1 3 . 1 1 65 65 ARG HA H 65 3.783 3.783 4.061 -0.278 18805 934 1 3 . 1 1 65 65 ARG C C 65 177.342 177.342 175.107 2.235 18805 935 1 3 . 1 1 65 65 ARG CA C 65 58.290 58.290 56.033 2.257 18805 936 1 3 . 1 1 65 65 ARG CB C 65 30.580 30.580 28.885 1.695 18805 937 1 3 . 1 1 65 65 ARG H H 65 8.232 8.232 8.044 0.188 18805 938 1 3 . 1 1 66 66 LYS N N 66 118.567 118.567 120.740 -2.173 18805 939 1 3 . 1 1 66 66 LYS HA H 66 4.122 4.122 4.409 -0.287 18805 940 1 3 . 1 1 66 66 LYS C C 66 177.060 177.060 175.586 1.474 18805 941 1 3 . 1 1 66 66 LYS CA C 66 57.389 57.389 55.288 2.101 18805 942 1 3 . 1 1 66 66 LYS CB C 66 32.659 32.659 34.173 -1.514 18805 943 1 3 . 1 1 66 66 LYS H H 66 7.591 7.591 7.479 0.112 18805 944 1 3 . 1 1 67 67 ARG N N 67 119.185 119.185 120.851 -1.666 18805 945 1 3 . 1 1 67 67 ARG HA H 67 4.183 4.183 4.135 0.048 18805 946 1 3 . 1 1 67 67 ARG C C 67 176.830 176.830 177.028 -0.198 18805 947 1 3 . 1 1 67 67 ARG CA C 67 56.879 56.879 56.945 -0.066 18805 948 1 3 . 1 1 67 67 ARG CB C 67 30.226 30.226 30.541 -0.315 18805 949 1 3 . 1 1 67 67 ARG H H 67 7.722 7.722 8.537 -0.815 18805 950 1 3 . 1 1 68 68 GLU N N 68 120.614 120.614 121.322 -0.708 18805 951 1 3 . 1 1 68 68 GLU HA H 68 4.087 4.087 4.336 -0.249 18805 952 1 3 . 1 1 68 68 GLU C C 68 176.803 176.803 176.066 0.737 18805 953 1 3 . 1 1 68 68 GLU CA C 68 57.076 57.076 56.637 0.439 18805 954 1 3 . 1 1 68 68 GLU CB C 68 30.099 30.099 30.302 -0.202 18805 955 1 3 . 1 1 68 68 GLU H H 68 8.157 8.157 8.323 -0.166 18805 956 1 3 . 1 1 69 69 ARG N N 69 120.012 120.012 126.256 -6.244 18805 957 1 3 . 1 1 69 69 ARG C C 69 176.270 176.270 177.363 -1.093 18805 958 1 3 . 1 1 69 69 ARG CA C 69 66.543 66.543 57.163 9.380 18805 959 1 3 . 1 1 69 69 ARG CB C 69 32.203 32.203 30.954 1.249 18805 960 1 3 . 1 1 69 69 ARG H H 69 7.974 7.974 8.717 -0.743 18805 961 1 3 . 1 1 70 70 PHE HA H 70 4.577 4.577 4.283 0.294 18805 962 1 3 . 1 1 70 70 PHE CA C 70 58.021 58.021 60.144 -2.123 18805 963 1 3 . 1 1 70 70 PHE CB C 70 39.295 39.295 38.781 0.514 18805 964 1 4 . 1 1 16 16 PHE HA H 16 5.000 5.000 5.158 -0.158 18805 965 1 4 . 1 1 16 16 PHE C C 16 176.744 176.744 175.919 0.825 18805 966 1 4 . 1 1 16 16 PHE CA C 16 57.425 57.425 56.294 1.131 18805 967 1 4 . 1 1 16 16 PHE CB C 16 41.475 41.475 42.079 -0.604 18805 968 1 4 . 1 1 16 16 PHE H H 16 9.114 9.114 7.610 1.504 18805 969 1 4 . 1 1 17 17 THR N N 17 113.394 113.394 112.958 0.436 18805 970 1 4 . 1 1 17 17 THR HA H 17 4.552 4.552 4.776 -0.224 18805 971 1 4 . 1 1 17 17 THR C C 17 175.352 175.352 175.415 -0.063 18805 972 1 4 . 1 1 17 17 THR CA C 17 60.392 60.392 60.141 0.251 18805 973 1 4 . 1 1 17 17 THR CB C 17 71.013 71.013 70.889 0.124 18805 974 1 4 . 1 1 17 17 THR H H 17 9.106 9.106 9.048 0.058 18805 975 1 4 . 1 1 18 18 SER HA H 18 4.146 4.146 4.208 -0.062 18805 976 1 4 . 1 1 18 18 SER C C 18 176.860 176.860 176.613 0.247 18805 977 1 4 . 1 1 18 18 SER CA C 18 62.173 62.173 61.138 1.035 18805 978 1 4 . 1 1 18 18 SER CB C 18 62.172 62.172 62.705 -0.533 18805 979 1 4 . 1 1 19 19 TYR N N 19 121.561 121.561 122.250 -0.689 18805 980 1 4 . 1 1 19 19 TYR HA H 19 4.340 4.340 4.386 -0.046 18805 981 1 4 . 1 1 19 19 TYR C C 19 176.860 176.860 178.241 -1.381 18805 982 1 4 . 1 1 19 19 TYR CA C 19 60.736 60.736 61.212 -0.476 18805 983 1 4 . 1 1 19 19 TYR CB C 19 38.557 38.557 38.242 0.315 18805 984 1 4 . 1 1 19 19 TYR H H 19 8.145 8.145 8.479 -0.334 18805 985 1 4 . 1 1 20 20 GLN N N 20 116.967 116.967 117.965 -0.998 18805 986 1 4 . 1 1 20 20 GLN HA H 20 3.359 3.359 3.740 -0.381 18805 987 1 4 . 1 1 20 20 GLN C C 20 177.344 177.344 178.181 -0.837 18805 988 1 4 . 1 1 20 20 GLN CA C 20 59.633 59.633 59.143 0.490 18805 989 1 4 . 1 1 20 20 GLN CB C 20 27.866 27.866 28.712 -0.846 18805 990 1 4 . 1 1 20 20 GLN H H 20 7.545 7.545 7.718 -0.173 18805 991 1 4 . 1 1 21 21 LEU N N 21 115.751 115.751 119.709 -3.958 18805 992 1 4 . 1 1 21 21 LEU HA H 21 3.532 3.532 3.515 0.017 18805 993 1 4 . 1 1 21 21 LEU C C 21 178.858 178.858 178.828 0.030 18805 994 1 4 . 1 1 21 21 LEU CA C 21 57.774 57.774 57.618 0.156 18805 995 1 4 . 1 1 21 21 LEU CB C 21 41.660 41.660 41.606 0.054 18805 996 1 4 . 1 1 21 21 LEU H H 21 8.116 8.116 7.852 0.264 18805 997 1 4 . 1 1 22 22 GLU N N 22 118.939 118.939 118.976 -0.037 18805 998 1 4 . 1 1 22 22 GLU HA H 22 3.876 3.876 3.868 0.008 18805 999 1 4 . 1 1 22 22 GLU C C 22 179.617 179.617 179.419 0.198 18805 1000 1 4 . 1 1 22 22 GLU CA C 22 59.244 59.244 59.562 -0.318 18805 1001 1 4 . 1 1 22 22 GLU CB C 22 29.454 29.454 29.194 0.260 18805 1002 1 4 . 1 1 22 22 GLU H H 22 8.108 8.108 8.045 0.063 18805 1003 1 4 . 1 1 23 23 GLU N N 23 117.643 117.643 119.409 -1.766 18805 1004 1 4 . 1 1 23 23 GLU HA H 23 3.699 3.699 3.942 -0.243 18805 1005 1 4 . 1 1 23 23 GLU C C 23 179.328 179.328 178.946 0.382 18805 1006 1 4 . 1 1 23 23 GLU CA C 23 58.616 58.616 58.768 -0.152 18805 1007 1 4 . 1 1 23 23 GLU CB C 23 29.191 29.191 29.284 -0.093 18805 1008 1 4 . 1 1 23 23 GLU H H 23 7.631 7.631 7.583 0.048 18805 1009 1 4 . 1 1 24 24 LEU N N 24 122.218 122.218 120.458 1.760 18805 1010 1 4 . 1 1 24 24 LEU HA H 24 3.490 3.490 3.565 -0.075 18805 1011 1 4 . 1 1 24 24 LEU C C 24 177.731 177.731 178.998 -1.267 18805 1012 1 4 . 1 1 24 24 LEU CA C 24 58.732 58.732 57.657 1.075 18805 1013 1 4 . 1 1 24 24 LEU CB C 24 38.207 38.207 40.500 -2.293 18805 1014 1 4 . 1 1 24 24 LEU H H 24 7.995 7.995 7.890 0.105 18805 1015 1 4 . 1 1 25 25 GLU N N 25 118.406 118.406 117.510 0.896 18805 1016 1 4 . 1 1 25 25 GLU HA H 25 4.278 4.278 4.175 0.103 18805 1017 1 4 . 1 1 25 25 GLU C C 25 179.059 179.059 178.947 0.112 18805 1018 1 4 . 1 1 25 25 GLU CA C 25 58.612 58.612 59.320 -0.708 18805 1019 1 4 . 1 1 25 25 GLU CB C 25 28.957 28.957 29.064 -0.107 18805 1020 1 4 . 1 1 25 25 GLU H H 25 7.833 7.833 8.032 -0.199 18805 1021 1 4 . 1 1 26 26 LYS N N 26 118.033 118.033 120.772 -2.739 18805 1022 1 4 . 1 1 26 26 LYS HA H 26 3.978 3.978 4.039 -0.061 18805 1023 1 4 . 1 1 26 26 LYS C C 26 180.388 180.388 179.148 1.240 18805 1024 1 4 . 1 1 26 26 LYS CA C 26 59.919 59.919 59.483 0.437 18805 1025 1 4 . 1 1 26 26 LYS CB C 26 32.821 32.821 32.342 0.479 18805 1026 1 4 . 1 1 26 26 LYS H H 26 7.795 7.795 7.546 0.249 18805 1027 1 4 . 1 1 27 27 VAL N N 27 118.207 118.207 118.774 -0.567 18805 1028 1 4 . 1 1 27 27 VAL HA H 27 3.853 3.853 3.696 0.157 18805 1029 1 4 . 1 1 27 27 VAL C C 27 177.057 177.057 178.183 -1.126 18805 1030 1 4 . 1 1 27 27 VAL CA C 27 66.944 66.944 65.846 1.098 18805 1031 1 4 . 1 1 27 27 VAL CB C 27 31.034 31.034 31.789 -0.755 18805 1032 1 4 . 1 1 27 27 VAL H H 27 7.316 7.316 7.741 -0.425 18805 1033 1 4 . 1 1 28 28 PHE N N 28 122.791 122.791 121.016 1.775 18805 1034 1 4 . 1 1 28 28 PHE HA H 28 4.744 4.744 4.901 -0.157 18805 1035 1 4 . 1 1 28 28 PHE C C 28 175.721 175.721 176.656 -0.935 18805 1036 1 4 . 1 1 28 28 PHE CA C 28 61.452 61.452 60.448 1.004 18805 1037 1 4 . 1 1 28 28 PHE CB C 28 38.872 38.872 39.486 -0.614 18805 1038 1 4 . 1 1 28 28 PHE H H 28 8.540 8.540 8.091 0.449 18805 1039 1 4 . 1 1 29 29 GLN N N 29 112.048 112.048 116.746 -4.698 18805 1040 1 4 . 1 1 29 29 GLN HA H 29 3.843 3.843 3.980 -0.137 18805 1041 1 4 . 1 1 29 29 GLN C C 29 177.467 177.467 177.460 0.007 18805 1042 1 4 . 1 1 29 29 GLN CA C 29 57.595 57.595 56.864 0.731 18805 1043 1 4 . 1 1 29 29 GLN CB C 29 28.204 28.204 28.572 -0.368 18805 1044 1 4 . 1 1 29 29 GLN H H 29 8.129 8.129 7.988 0.141 18805 1045 1 4 . 1 1 30 30 LYS N N 30 118.854 118.854 118.850 0.004 18805 1046 1 4 . 1 1 30 30 LYS HA H 30 4.260 4.260 4.166 0.094 18805 1047 1 4 . 1 1 30 30 LYS C C 30 176.920 176.920 176.845 0.075 18805 1048 1 4 . 1 1 30 30 LYS CA C 30 57.449 57.449 57.948 -0.499 18805 1049 1 4 . 1 1 30 30 LYS CB C 30 33.450 33.450 33.484 -0.034 18805 1050 1 4 . 1 1 30 30 LYS H H 30 7.599 7.599 7.642 -0.043 18805 1051 1 4 . 1 1 31 31 THR N N 31 115.210 115.210 110.484 4.726 18805 1052 1 4 . 1 1 31 31 THR HA H 31 4.279 4.279 4.244 0.035 18805 1053 1 4 . 1 1 31 31 THR C C 31 171.092 171.092 173.121 -2.029 18805 1054 1 4 . 1 1 31 31 THR CA C 31 59.113 59.113 60.035 -0.922 18805 1055 1 4 . 1 1 31 31 THR CB C 31 69.375 69.375 69.556 -0.181 18805 1056 1 4 . 1 1 31 31 THR H H 31 8.840 8.840 7.820 1.020 18805 1057 1 4 . 1 1 32 32 HIS N N 32 123.048 123.048 121.482 1.566 18805 1058 1 4 . 1 1 32 32 HIS HA H 32 4.343 4.343 4.285 0.058 18805 1059 1 4 . 1 1 32 32 HIS C C 32 174.598 174.598 174.507 0.091 18805 1060 1 4 . 1 1 32 32 HIS CA C 32 55.323 55.323 57.673 -2.350 18805 1061 1 4 . 1 1 32 32 HIS CB C 32 30.975 30.975 29.972 1.003 18805 1062 1 4 . 1 1 32 32 HIS H H 32 8.342 8.342 8.358 -0.016 18805 1063 1 4 . 1 1 33 33 TYR N N 33 114.650 114.650 118.530 -3.880 18805 1064 1 4 . 1 1 33 33 TYR HA H 33 4.703 4.703 4.778 -0.075 18805 1065 1 4 . 1 1 33 33 TYR C C 33 172.558 172.558 173.679 -1.121 18805 1066 1 4 . 1 1 33 33 TYR CA C 33 55.146 55.146 54.488 0.658 18805 1067 1 4 . 1 1 33 33 TYR CB C 33 38.868 38.868 38.274 0.594 18805 1068 1 4 . 1 1 33 33 TYR H H 33 8.109 8.109 7.402 0.707 18805 1069 1 4 . 1 1 34 34 PRO HA H 34 4.273 4.273 4.318 -0.045 18805 1070 1 4 . 1 1 34 34 PRO C C 34 177.097 177.097 176.334 0.763 18805 1071 1 4 . 1 1 34 34 PRO CA C 34 62.413 62.413 62.461 -0.048 18805 1072 1 4 . 1 1 34 34 PRO CB C 34 30.790 30.790 32.229 -1.439 18805 1073 1 4 . 1 1 35 35 ASP N N 35 124.197 124.197 124.217 -0.020 18805 1074 1 4 . 1 1 35 35 ASP HA H 35 4.447 4.447 4.525 -0.078 18805 1075 1 4 . 1 1 35 35 ASP C C 35 175.603 175.603 177.779 -2.176 18805 1076 1 4 . 1 1 35 35 ASP CA C 35 52.685 52.685 54.747 -2.062 18805 1077 1 4 . 1 1 35 35 ASP CB C 35 40.952 40.952 42.585 -1.633 18805 1078 1 4 . 1 1 35 35 ASP H H 35 8.547 8.547 8.346 0.201 18805 1079 1 4 . 1 1 36 36 VAL N N 36 118.006 118.006 121.806 -3.800 18805 1080 1 4 . 1 1 36 36 VAL HA H 36 3.473 3.473 3.782 -0.309 18805 1081 1 4 . 1 1 36 36 VAL C C 36 176.268 176.268 177.203 -0.935 18805 1082 1 4 . 1 1 36 36 VAL CA C 36 66.404 66.404 65.783 0.621 18805 1083 1 4 . 1 1 36 36 VAL CB C 36 31.419 31.419 32.066 -0.647 18805 1084 1 4 . 1 1 36 36 VAL H H 36 8.281 8.281 8.494 -0.213 18805 1085 1 4 . 1 1 37 37 TYR N N 37 121.225 121.225 120.361 0.864 18805 1086 1 4 . 1 1 37 37 TYR HA H 37 4.305 4.305 4.383 -0.078 18805 1087 1 4 . 1 1 37 37 TYR C C 37 178.136 178.136 176.852 1.284 18805 1088 1 4 . 1 1 37 37 TYR CA C 37 60.808 60.808 61.073 -0.265 18805 1089 1 4 . 1 1 37 37 TYR CB C 37 37.392 37.392 37.636 -0.244 18805 1090 1 4 . 1 1 37 37 TYR H H 37 7.423 7.423 8.130 -0.707 18805 1091 1 4 . 1 1 38 38 ALA N N 38 122.550 122.550 122.947 -0.397 18805 1092 1 4 . 1 1 38 38 ALA HA H 38 4.071 4.071 4.299 -0.228 18805 1093 1 4 . 1 1 38 38 ALA C C 38 182.258 182.258 179.973 2.285 18805 1094 1 4 . 1 1 38 38 ALA CA C 38 54.885 54.885 54.624 0.261 18805 1095 1 4 . 1 1 38 38 ALA CB C 38 18.336 18.336 18.289 0.047 18805 1096 1 4 . 1 1 38 38 ALA H H 38 8.376 8.376 8.469 -0.093 18805 1097 1 4 . 1 1 39 39 ARG N N 39 117.400 117.400 118.152 -0.752 18805 1098 1 4 . 1 1 39 39 ARG HA H 39 3.834 3.834 3.942 -0.108 18805 1099 1 4 . 1 1 39 39 ARG C C 39 178.142 178.142 178.865 -0.723 18805 1100 1 4 . 1 1 39 39 ARG CA C 39 60.991 60.991 59.676 1.315 18805 1101 1 4 . 1 1 39 39 ARG CB C 39 31.335 31.335 29.993 1.342 18805 1102 1 4 . 1 1 39 39 ARG H H 39 8.699 8.699 8.157 0.542 18805 1103 1 4 . 1 1 40 40 GLU N N 40 121.231 121.231 119.472 1.759 18805 1104 1 4 . 1 1 40 40 GLU HA H 40 3.943 3.943 3.965 -0.022 18805 1105 1 4 . 1 1 40 40 GLU C C 40 179.598 179.598 178.820 0.778 18805 1106 1 4 . 1 1 40 40 GLU CA C 40 59.805 59.805 59.001 0.804 18805 1107 1 4 . 1 1 40 40 GLU CB C 40 29.508 29.508 28.938 0.570 18805 1108 1 4 . 1 1 40 40 GLU H H 40 8.672 8.672 7.608 1.064 18805 1109 1 4 . 1 1 41 41 GLN N N 41 118.662 118.662 118.523 0.139 18805 1110 1 4 . 1 1 41 41 GLN HA H 41 3.958 3.958 3.870 0.088 18805 1111 1 4 . 1 1 41 41 GLN C C 41 178.675 178.675 178.594 0.081 18805 1112 1 4 . 1 1 41 41 GLN CA C 41 58.594 58.594 58.747 -0.153 18805 1113 1 4 . 1 1 41 41 GLN CB C 41 28.396 28.396 28.523 -0.127 18805 1114 1 4 . 1 1 41 41 GLN H H 41 8.264 8.264 7.735 0.529 18805 1115 1 4 . 1 1 42 42 LEU N N 42 121.044 121.044 120.548 0.496 18805 1116 1 4 . 1 1 42 42 LEU HA H 42 4.009 4.009 4.039 -0.030 18805 1117 1 4 . 1 1 42 42 LEU C C 42 179.727 179.727 178.331 1.396 18805 1118 1 4 . 1 1 42 42 LEU CA C 42 57.600 57.600 57.473 0.127 18805 1119 1 4 . 1 1 42 42 LEU CB C 42 42.752 42.752 41.620 1.132 18805 1120 1 4 . 1 1 42 42 LEU H H 42 7.909 7.909 7.821 0.088 18805 1121 1 4 . 1 1 43 43 ALA N N 43 124.342 124.342 121.972 2.370 18805 1122 1 4 . 1 1 43 43 ALA HA H 43 3.697 3.697 4.069 -0.372 18805 1123 1 4 . 1 1 43 43 ALA C C 43 179.056 179.056 179.976 -0.920 18805 1124 1 4 . 1 1 43 43 ALA CA C 43 55.561 55.561 54.895 0.666 18805 1125 1 4 . 1 1 43 43 ALA CB C 43 17.186 17.186 18.742 -1.556 18805 1126 1 4 . 1 1 43 43 ALA H H 43 8.647 8.647 8.038 0.609 18805 1127 1 4 . 1 1 44 44 MET N N 44 115.878 115.878 115.781 0.097 18805 1128 1 4 . 1 1 44 44 MET HA H 44 4.262 4.262 4.221 0.041 18805 1129 1 4 . 1 1 44 44 MET C C 44 179.154 179.154 178.168 0.986 18805 1130 1 4 . 1 1 44 44 MET CA C 44 58.569 58.569 58.154 0.415 18805 1131 1 4 . 1 1 44 44 MET CB C 44 32.138 32.138 32.531 -0.392 18805 1132 1 4 . 1 1 44 44 MET H H 44 7.926 7.926 7.859 0.067 18805 1133 1 4 . 1 1 45 45 ARG N N 45 116.503 116.503 119.436 -2.933 18805 1134 1 4 . 1 1 45 45 ARG HA H 45 4.402 4.402 4.315 0.087 18805 1135 1 4 . 1 1 45 45 ARG C C 45 177.591 177.591 178.685 -1.094 18805 1136 1 4 . 1 1 45 45 ARG CA C 45 58.315 58.315 58.238 0.077 18805 1137 1 4 . 1 1 45 45 ARG CB C 45 30.909 30.909 30.731 0.178 18805 1138 1 4 . 1 1 45 45 ARG H H 45 7.903 7.903 7.889 0.014 18805 1139 1 4 . 1 1 46 46 THR N N 46 105.711 105.711 110.171 -4.460 18805 1140 1 4 . 1 1 46 46 THR HA H 46 4.501 4.501 4.466 0.035 18805 1141 1 4 . 1 1 46 46 THR C C 46 174.417 174.417 174.712 -0.295 18805 1142 1 4 . 1 1 46 46 THR CA C 46 61.808 61.808 63.351 -1.543 18805 1143 1 4 . 1 1 46 46 THR CB C 46 70.714 70.714 69.650 1.064 18805 1144 1 4 . 1 1 46 46 THR H H 46 7.662 7.662 7.953 -0.291 18805 1145 1 4 . 1 1 47 47 ASP N N 47 120.391 120.391 120.719 -0.328 18805 1146 1 4 . 1 1 47 47 ASP HA H 47 4.472 4.472 4.365 0.107 18805 1147 1 4 . 1 1 47 47 ASP C C 47 174.537 174.537 174.660 -0.123 18805 1148 1 4 . 1 1 47 47 ASP CA C 47 55.933 55.933 55.206 0.727 18805 1149 1 4 . 1 1 47 47 ASP CB C 47 39.565 39.565 39.295 0.270 18805 1150 1 4 . 1 1 47 47 ASP H H 47 7.922 7.922 7.841 0.081 18805 1151 1 4 . 1 1 48 48 LEU N N 48 118.406 118.406 121.151 -2.745 18805 1152 1 4 . 1 1 48 48 LEU HA H 48 4.891 4.891 4.688 0.203 18805 1153 1 4 . 1 1 48 48 LEU C C 48 176.180 176.180 176.176 0.004 18805 1154 1 4 . 1 1 48 48 LEU CA C 48 52.943 52.943 53.257 -0.314 18805 1155 1 4 . 1 1 48 48 LEU CB C 48 46.638 46.638 45.466 1.172 18805 1156 1 4 . 1 1 48 48 LEU H H 48 8.072 8.072 7.746 0.326 18805 1157 1 4 . 1 1 49 49 THR N N 49 106.891 106.891 116.262 -9.371 18805 1158 1 4 . 1 1 49 49 THR HA H 49 4.597 4.597 4.493 0.104 18805 1159 1 4 . 1 1 49 49 THR C C 49 175.667 175.667 175.988 -0.321 18805 1160 1 4 . 1 1 49 49 THR CA C 49 59.573 59.573 61.434 -1.861 18805 1161 1 4 . 1 1 49 49 THR CB C 49 71.085 71.085 69.767 1.318 18805 1162 1 4 . 1 1 49 49 THR H H 49 7.071 7.071 8.307 -1.236 18805 1163 1 4 . 1 1 50 50 GLU N N 50 124.013 124.013 125.186 -1.173 18805 1164 1 4 . 1 1 50 50 GLU HA H 50 3.721 3.721 3.910 -0.189 18805 1165 1 4 . 1 1 50 50 GLU C C 50 178.112 178.112 178.650 -0.538 18805 1166 1 4 . 1 1 50 50 GLU CA C 50 60.982 60.982 60.186 0.796 18805 1167 1 4 . 1 1 50 50 GLU CB C 50 28.654 28.654 29.351 -0.697 18805 1168 1 4 . 1 1 50 50 GLU H H 50 9.271 9.271 9.067 0.204 18805 1169 1 4 . 1 1 51 51 ALA N N 51 119.708 119.708 121.652 -1.944 18805 1170 1 4 . 1 1 51 51 ALA HA H 51 4.108 4.108 4.227 -0.119 18805 1171 1 4 . 1 1 51 51 ALA C C 51 180.493 180.493 179.756 0.737 18805 1172 1 4 . 1 1 51 51 ALA CA C 51 55.200 55.200 55.001 0.199 18805 1173 1 4 . 1 1 51 51 ALA CB C 51 18.397 18.397 18.187 0.210 18805 1174 1 4 . 1 1 51 51 ALA H H 51 8.377 8.377 8.341 0.036 18805 1175 1 4 . 1 1 52 52 ARG N N 52 117.740 117.740 119.213 -1.473 18805 1176 1 4 . 1 1 52 52 ARG HA H 52 4.213 4.213 4.260 -0.047 18805 1177 1 4 . 1 1 52 52 ARG C C 52 179.734 179.734 178.962 0.772 18805 1178 1 4 . 1 1 52 52 ARG CA C 52 59.006 59.006 58.658 0.348 18805 1179 1 4 . 1 1 52 52 ARG CB C 52 30.626 30.626 29.767 0.859 18805 1180 1 4 . 1 1 52 52 ARG H H 52 7.756 7.756 7.666 0.090 18805 1181 1 4 . 1 1 53 53 VAL N N 53 120.607 120.607 119.975 0.632 18805 1182 1 4 . 1 1 53 53 VAL HA H 53 3.706 3.706 3.896 -0.190 18805 1183 1 4 . 1 1 53 53 VAL C C 53 177.734 177.734 178.198 -0.464 18805 1184 1 4 . 1 1 53 53 VAL CA C 53 67.350 67.350 66.475 0.875 18805 1185 1 4 . 1 1 53 53 VAL CB C 53 31.900 31.900 31.338 0.562 18805 1186 1 4 . 1 1 53 53 VAL H H 53 8.206 8.206 8.186 0.020 18805 1187 1 4 . 1 1 54 54 GLN N N 54 119.441 119.441 120.239 -0.798 18805 1188 1 4 . 1 1 54 54 GLN HA H 54 4.401 4.401 4.231 0.170 18805 1189 1 4 . 1 1 54 54 GLN C C 54 179.055 179.055 178.773 0.282 18805 1190 1 4 . 1 1 54 54 GLN CA C 54 60.036 60.036 58.825 1.210 18805 1191 1 4 . 1 1 54 54 GLN CB C 54 28.509 28.509 28.293 0.216 18805 1192 1 4 . 1 1 54 54 GLN H H 54 8.747 8.747 8.117 0.630 18805 1193 1 4 . 1 1 55 55 VAL N N 55 119.951 119.951 119.374 0.577 18805 1194 1 4 . 1 1 55 55 VAL HA H 55 3.783 3.783 3.830 -0.047 18805 1195 1 4 . 1 1 55 55 VAL C C 55 177.751 177.751 177.689 0.062 18805 1196 1 4 . 1 1 55 55 VAL CA C 55 66.575 66.575 66.934 -0.359 18805 1197 1 4 . 1 1 55 55 VAL CB C 55 32.017 32.017 31.438 0.579 18805 1198 1 4 . 1 1 55 55 VAL H H 55 7.973 7.973 8.068 -0.095 18805 1199 1 4 . 1 1 56 56 TRP N N 56 121.386 121.386 122.378 -0.992 18805 1200 1 4 . 1 1 56 56 TRP HA H 56 4.075 4.075 4.190 -0.115 18805 1201 1 4 . 1 1 56 56 TRP C C 56 179.849 179.849 177.989 1.860 18805 1202 1 4 . 1 1 56 56 TRP CA C 56 63.249 63.249 61.889 1.360 18805 1203 1 4 . 1 1 56 56 TRP CB C 56 28.266 28.266 29.437 -1.171 18805 1204 1 4 . 1 1 56 56 TRP H H 56 8.351 8.351 7.624 0.727 18805 1205 1 4 . 1 1 57 57 PHE N N 57 118.444 118.444 116.491 1.953 18805 1206 1 4 . 1 1 57 57 PHE HA H 57 3.629 3.629 3.982 -0.353 18805 1207 1 4 . 1 1 57 57 PHE C C 57 178.058 178.058 178.432 -0.374 18805 1208 1 4 . 1 1 57 57 PHE CA C 57 63.831 63.831 62.248 1.583 18805 1209 1 4 . 1 1 57 57 PHE CB C 57 39.161 39.161 38.837 0.324 18805 1210 1 4 . 1 1 57 57 PHE H H 57 8.924 8.924 8.264 0.660 18805 1211 1 4 . 1 1 58 58 GLN N N 58 119.552 119.552 118.470 1.082 18805 1212 1 4 . 1 1 58 58 GLN HA H 58 3.958 3.958 4.015 -0.057 18805 1213 1 4 . 1 1 58 58 GLN C C 58 179.475 179.475 177.922 1.553 18805 1214 1 4 . 1 1 58 58 GLN CA C 58 59.730 59.730 59.176 0.554 18805 1215 1 4 . 1 1 58 58 GLN CB C 58 28.108 28.108 28.655 -0.547 18805 1216 1 4 . 1 1 58 58 GLN H H 58 8.322 8.322 7.856 0.466 18805 1217 1 4 . 1 1 59 59 ASN N N 59 119.095 119.095 118.186 0.909 18805 1218 1 4 . 1 1 59 59 ASN HA H 59 4.344 4.344 4.377 -0.033 18805 1219 1 4 . 1 1 59 59 ASN C C 59 177.212 177.212 177.629 -0.417 18805 1220 1 4 . 1 1 59 59 ASN CA C 59 55.536 55.536 55.831 -0.295 18805 1221 1 4 . 1 1 59 59 ASN CB C 59 37.920 37.920 38.745 -0.825 18805 1222 1 4 . 1 1 59 59 ASN H H 59 8.158 8.158 8.236 -0.078 18805 1223 1 4 . 1 1 60 60 ARG N N 60 124.480 124.480 120.017 4.463 18805 1224 1 4 . 1 1 60 60 ARG HA H 60 3.383 3.383 3.630 -0.247 18805 1225 1 4 . 1 1 60 60 ARG C C 60 179.622 179.622 178.209 1.413 18805 1226 1 4 . 1 1 60 60 ARG CA C 60 56.532 56.532 57.642 -1.110 18805 1227 1 4 . 1 1 60 60 ARG CB C 60 27.904 27.904 28.770 -0.867 18805 1228 1 4 . 1 1 60 60 ARG H H 60 8.494 8.494 8.102 0.392 18805 1229 1 4 . 1 1 61 61 ARG N N 61 118.870 118.870 118.559 0.311 18805 1230 1 4 . 1 1 61 61 ARG HA H 61 3.946 3.946 4.235 -0.289 18805 1231 1 4 . 1 1 61 61 ARG C C 61 178.392 178.392 178.470 -0.078 18805 1232 1 4 . 1 1 61 61 ARG CA C 61 60.599 60.599 59.234 1.365 18805 1233 1 4 . 1 1 61 61 ARG CB C 61 31.546 31.546 30.070 1.476 18805 1234 1 4 . 1 1 61 61 ARG H H 61 8.310 8.310 7.607 0.703 18805 1235 1 4 . 1 1 62 62 ALA N N 62 121.373 121.373 122.715 -1.342 18805 1236 1 4 . 1 1 62 62 ALA HA H 62 4.163 4.163 4.171 -0.008 18805 1237 1 4 . 1 1 62 62 ALA C C 62 179.899 179.899 178.956 0.943 18805 1238 1 4 . 1 1 62 62 ALA CA C 62 55.109 55.109 55.140 -0.031 18805 1239 1 4 . 1 1 62 62 ALA CB C 62 17.754 17.754 18.273 -0.519 18805 1240 1 4 . 1 1 62 62 ALA H H 62 7.382 7.382 8.017 -0.635 18805 1241 1 4 . 1 1 63 63 LYS N N 63 118.540 118.540 118.907 -0.367 18805 1242 1 4 . 1 1 63 63 LYS HA H 63 3.986 3.986 4.380 -0.394 18805 1243 1 4 . 1 1 63 63 LYS C C 63 178.259 178.259 177.964 0.295 18805 1244 1 4 . 1 1 63 63 LYS CA C 63 58.727 58.727 58.231 0.496 18805 1245 1 4 . 1 1 63 63 LYS CB C 63 32.634 32.634 32.642 -0.009 18805 1246 1 4 . 1 1 63 63 LYS H H 63 7.573 7.573 7.496 0.077 18805 1247 1 4 . 1 1 64 64 TRP N N 64 121.094 121.094 119.719 1.375 18805 1248 1 4 . 1 1 64 64 TRP HA H 64 4.436 4.436 4.433 0.003 18805 1249 1 4 . 1 1 64 64 TRP C C 64 177.662 177.662 177.608 0.054 18805 1250 1 4 . 1 1 64 64 TRP CA C 64 60.130 60.130 60.549 -0.419 18805 1251 1 4 . 1 1 64 64 TRP CB C 64 29.138 29.138 29.733 -0.595 18805 1252 1 4 . 1 1 64 64 TRP H H 64 8.032 8.032 7.916 0.116 18805 1253 1 4 . 1 1 65 65 ARG N N 65 118.674 118.674 117.794 0.880 18805 1254 1 4 . 1 1 65 65 ARG HA H 65 3.783 3.783 4.071 -0.288 18805 1255 1 4 . 1 1 65 65 ARG C C 65 177.342 177.342 176.649 0.693 18805 1256 1 4 . 1 1 65 65 ARG CA C 65 58.290 58.290 57.459 0.831 18805 1257 1 4 . 1 1 65 65 ARG CB C 65 30.580 30.580 31.028 -0.448 18805 1258 1 4 . 1 1 65 65 ARG H H 65 8.232 8.232 7.762 0.470 18805 1259 1 4 . 1 1 66 66 LYS N N 66 118.567 118.567 119.167 -0.600 18805 1260 1 4 . 1 1 66 66 LYS HA H 66 4.122 4.122 4.376 -0.254 18805 1261 1 4 . 1 1 66 66 LYS C C 66 177.060 177.060 176.478 0.582 18805 1262 1 4 . 1 1 66 66 LYS CA C 66 57.389 57.389 55.305 2.084 18805 1263 1 4 . 1 1 66 66 LYS CB C 66 32.659 32.659 33.564 -0.905 18805 1264 1 4 . 1 1 66 66 LYS H H 66 7.591 7.591 7.566 0.025 18805 1265 1 4 . 1 1 67 67 ARG N N 67 119.185 119.185 127.391 -8.206 18805 1266 1 4 . 1 1 67 67 ARG HA H 67 4.183 4.183 3.941 0.242 18805 1267 1 4 . 1 1 67 67 ARG C C 67 176.830 176.830 176.039 0.791 18805 1268 1 4 . 1 1 67 67 ARG CA C 67 56.879 56.879 59.236 -2.357 18805 1269 1 4 . 1 1 67 67 ARG CB C 67 30.226 30.226 30.311 -0.085 18805 1270 1 4 . 1 1 67 67 ARG H H 67 7.722 7.722 8.944 -1.222 18805 1271 1 4 . 1 1 68 68 GLU N N 68 120.614 120.614 116.168 4.446 18805 1272 1 4 . 1 1 68 68 GLU HA H 68 4.087 4.087 3.775 0.312 18805 1273 1 4 . 1 1 68 68 GLU C C 68 176.803 176.803 174.744 2.059 18805 1274 1 4 . 1 1 68 68 GLU CA C 68 57.076 57.076 57.116 -0.040 18805 1275 1 4 . 1 1 68 68 GLU CB C 68 30.099 30.099 27.175 2.924 18805 1276 1 4 . 1 1 68 68 GLU H H 68 8.157 8.157 8.525 -0.368 18805 1277 1 4 . 1 1 69 69 ARG N N 69 120.012 120.012 118.327 1.685 18805 1278 1 4 . 1 1 69 69 ARG C C 69 176.270 176.270 173.930 2.340 18805 1279 1 4 . 1 1 69 69 ARG CA C 69 66.543 66.543 55.895 10.648 18805 1280 1 4 . 1 1 69 69 ARG CB C 69 32.203 32.203 30.581 1.622 18805 1281 1 4 . 1 1 69 69 ARG H H 69 7.974 7.974 7.425 0.549 18805 1282 1 4 . 1 1 70 70 PHE HA H 70 4.577 4.577 4.638 -0.061 18805 1283 1 4 . 1 1 70 70 PHE CA C 70 58.021 58.021 57.629 0.392 18805 1284 1 4 . 1 1 70 70 PHE CB C 70 39.295 39.295 39.121 0.174 18805 1285 1 5 . 1 1 16 16 PHE HA H 16 5.000 5.000 5.012 -0.012 18805 1286 1 5 . 1 1 16 16 PHE C C 16 176.744 176.744 175.840 0.904 18805 1287 1 5 . 1 1 16 16 PHE CA C 16 57.425 57.425 56.216 1.209 18805 1288 1 5 . 1 1 16 16 PHE CB C 16 41.475 41.475 40.337 1.138 18805 1289 1 5 . 1 1 16 16 PHE H H 16 9.114 9.114 7.679 1.435 18805 1290 1 5 . 1 1 17 17 THR N N 17 113.394 113.394 112.265 1.129 18805 1291 1 5 . 1 1 17 17 THR HA H 17 4.552 4.552 4.578 -0.026 18805 1292 1 5 . 1 1 17 17 THR C C 17 175.352 175.352 176.196 -0.844 18805 1293 1 5 . 1 1 17 17 THR CA C 17 60.392 60.392 60.660 -0.268 18805 1294 1 5 . 1 1 17 17 THR CB C 17 71.013 71.013 71.229 -0.216 18805 1295 1 5 . 1 1 17 17 THR H H 17 9.106 9.106 8.586 0.520 18805 1296 1 5 . 1 1 18 18 SER HA H 18 4.146 4.146 4.093 0.053 18805 1297 1 5 . 1 1 18 18 SER C C 18 176.860 176.860 176.747 0.113 18805 1298 1 5 . 1 1 18 18 SER CA C 18 62.173 62.173 62.092 0.081 18805 1299 1 5 . 1 1 18 18 SER CB C 18 62.172 62.172 62.691 -0.519 18805 1300 1 5 . 1 1 19 19 TYR N N 19 121.561 121.561 122.683 -1.122 18805 1301 1 5 . 1 1 19 19 TYR HA H 19 4.340 4.340 4.089 0.251 18805 1302 1 5 . 1 1 19 19 TYR C C 19 176.860 176.860 177.319 -0.459 18805 1303 1 5 . 1 1 19 19 TYR CA C 19 60.736 60.736 61.621 -0.885 18805 1304 1 5 . 1 1 19 19 TYR CB C 19 38.557 38.557 38.297 0.260 18805 1305 1 5 . 1 1 19 19 TYR H H 19 8.145 8.145 8.185 -0.040 18805 1306 1 5 . 1 1 20 20 GLN N N 20 116.967 116.967 118.282 -1.315 18805 1307 1 5 . 1 1 20 20 GLN HA H 20 3.359 3.359 3.782 -0.423 18805 1308 1 5 . 1 1 20 20 GLN C C 20 177.344 177.344 178.136 -0.792 18805 1309 1 5 . 1 1 20 20 GLN CA C 20 59.633 59.633 59.160 0.473 18805 1310 1 5 . 1 1 20 20 GLN CB C 20 27.866 27.866 28.741 -0.875 18805 1311 1 5 . 1 1 20 20 GLN H H 20 7.545 7.545 7.670 -0.125 18805 1312 1 5 . 1 1 21 21 LEU N N 21 115.751 115.751 119.148 -3.397 18805 1313 1 5 . 1 1 21 21 LEU HA H 21 3.532 3.532 3.575 -0.043 18805 1314 1 5 . 1 1 21 21 LEU C C 21 178.858 178.858 179.065 -0.207 18805 1315 1 5 . 1 1 21 21 LEU CA C 21 57.774 57.774 57.454 0.320 18805 1316 1 5 . 1 1 21 21 LEU CB C 21 41.660 41.660 41.335 0.325 18805 1317 1 5 . 1 1 21 21 LEU H H 21 8.116 8.116 7.962 0.154 18805 1318 1 5 . 1 1 22 22 GLU N N 22 118.939 118.939 119.258 -0.319 18805 1319 1 5 . 1 1 22 22 GLU HA H 22 3.876 3.876 3.905 -0.029 18805 1320 1 5 . 1 1 22 22 GLU C C 22 179.617 179.617 179.315 0.302 18805 1321 1 5 . 1 1 22 22 GLU CA C 22 59.244 59.244 59.369 -0.125 18805 1322 1 5 . 1 1 22 22 GLU CB C 22 29.454 29.454 28.814 0.640 18805 1323 1 5 . 1 1 22 22 GLU H H 22 8.108 8.108 7.739 0.369 18805 1324 1 5 . 1 1 23 23 GLU N N 23 117.643 117.643 119.163 -1.520 18805 1325 1 5 . 1 1 23 23 GLU HA H 23 3.699 3.699 4.036 -0.337 18805 1326 1 5 . 1 1 23 23 GLU C C 23 179.328 179.328 179.106 0.222 18805 1327 1 5 . 1 1 23 23 GLU CA C 23 58.616 58.616 58.122 0.494 18805 1328 1 5 . 1 1 23 23 GLU CB C 23 29.191 29.191 29.198 -0.007 18805 1329 1 5 . 1 1 23 23 GLU H H 23 7.631 7.631 7.384 0.247 18805 1330 1 5 . 1 1 24 24 LEU N N 24 122.218 122.218 120.064 2.154 18805 1331 1 5 . 1 1 24 24 LEU HA H 24 3.490 3.490 3.688 -0.198 18805 1332 1 5 . 1 1 24 24 LEU C C 24 177.731 177.731 178.802 -1.071 18805 1333 1 5 . 1 1 24 24 LEU CA C 24 58.732 58.732 58.127 0.605 18805 1334 1 5 . 1 1 24 24 LEU CB C 24 38.207 38.207 40.528 -2.321 18805 1335 1 5 . 1 1 24 24 LEU H H 24 7.995 7.995 7.836 0.159 18805 1336 1 5 . 1 1 25 25 GLU N N 25 118.406 118.406 118.013 0.393 18805 1337 1 5 . 1 1 25 25 GLU HA H 25 4.278 4.278 4.115 0.163 18805 1338 1 5 . 1 1 25 25 GLU C C 25 179.059 179.059 178.785 0.274 18805 1339 1 5 . 1 1 25 25 GLU CA C 25 58.612 58.612 59.316 -0.704 18805 1340 1 5 . 1 1 25 25 GLU CB C 25 28.957 28.957 29.236 -0.279 18805 1341 1 5 . 1 1 25 25 GLU H H 25 7.833 7.833 7.635 0.198 18805 1342 1 5 . 1 1 26 26 LYS N N 26 118.033 118.033 120.434 -2.401 18805 1343 1 5 . 1 1 26 26 LYS HA H 26 3.978 3.978 4.004 -0.026 18805 1344 1 5 . 1 1 26 26 LYS C C 26 180.388 180.388 179.261 1.127 18805 1345 1 5 . 1 1 26 26 LYS CA C 26 59.919 59.919 59.516 0.403 18805 1346 1 5 . 1 1 26 26 LYS CB C 26 32.821 32.821 32.360 0.461 18805 1347 1 5 . 1 1 26 26 LYS H H 26 7.795 7.795 7.759 0.036 18805 1348 1 5 . 1 1 27 27 VAL N N 27 118.207 118.207 118.107 0.100 18805 1349 1 5 . 1 1 27 27 VAL HA H 27 3.853 3.853 3.724 0.129 18805 1350 1 5 . 1 1 27 27 VAL C C 27 177.057 177.057 177.912 -0.855 18805 1351 1 5 . 1 1 27 27 VAL CA C 27 66.944 66.944 65.774 1.170 18805 1352 1 5 . 1 1 27 27 VAL CB C 27 31.034 31.034 31.835 -0.801 18805 1353 1 5 . 1 1 27 27 VAL H H 27 7.316 7.316 7.755 -0.439 18805 1354 1 5 . 1 1 28 28 PHE N N 28 122.791 122.791 121.230 1.561 18805 1355 1 5 . 1 1 28 28 PHE HA H 28 4.744 4.744 4.798 -0.054 18805 1356 1 5 . 1 1 28 28 PHE C C 28 175.721 175.721 177.155 -1.434 18805 1357 1 5 . 1 1 28 28 PHE CA C 28 61.452 61.452 60.474 0.978 18805 1358 1 5 . 1 1 28 28 PHE CB C 28 38.872 38.872 39.349 -0.477 18805 1359 1 5 . 1 1 28 28 PHE H H 28 8.540 8.540 7.738 0.802 18805 1360 1 5 . 1 1 29 29 GLN N N 29 112.048 112.048 116.298 -4.250 18805 1361 1 5 . 1 1 29 29 GLN HA H 29 3.843 3.843 4.001 -0.158 18805 1362 1 5 . 1 1 29 29 GLN C C 29 177.467 177.467 177.271 0.196 18805 1363 1 5 . 1 1 29 29 GLN CA C 29 57.595 57.595 57.374 0.221 18805 1364 1 5 . 1 1 29 29 GLN CB C 29 28.204 28.204 28.328 -0.124 18805 1365 1 5 . 1 1 29 29 GLN H H 29 8.129 8.129 8.248 -0.119 18805 1366 1 5 . 1 1 30 30 LYS N N 30 118.854 118.854 117.687 1.167 18805 1367 1 5 . 1 1 30 30 LYS HA H 30 4.260 4.260 4.277 -0.017 18805 1368 1 5 . 1 1 30 30 LYS C C 30 176.920 176.920 177.244 -0.324 18805 1369 1 5 . 1 1 30 30 LYS CA C 30 57.449 57.449 57.352 0.097 18805 1370 1 5 . 1 1 30 30 LYS CB C 30 33.450 33.450 33.644 -0.194 18805 1371 1 5 . 1 1 30 30 LYS H H 30 7.599 7.599 7.515 0.084 18805 1372 1 5 . 1 1 31 31 THR N N 31 115.210 115.210 113.091 2.119 18805 1373 1 5 . 1 1 31 31 THR HA H 31 4.279 4.279 4.327 -0.048 18805 1374 1 5 . 1 1 31 31 THR C C 31 171.092 171.092 174.327 -3.235 18805 1375 1 5 . 1 1 31 31 THR CA C 31 59.113 59.113 60.031 -0.917 18805 1376 1 5 . 1 1 31 31 THR CB C 31 69.375 69.375 70.009 -0.634 18805 1377 1 5 . 1 1 31 31 THR H H 31 8.840 8.840 7.958 0.882 18805 1378 1 5 . 1 1 32 32 HIS N N 32 123.048 123.048 126.645 -3.597 18805 1379 1 5 . 1 1 32 32 HIS HA H 32 4.343 4.343 4.062 0.281 18805 1380 1 5 . 1 1 32 32 HIS C C 32 174.598 174.598 175.365 -0.767 18805 1381 1 5 . 1 1 32 32 HIS CA C 32 55.323 55.323 58.408 -3.085 18805 1382 1 5 . 1 1 32 32 HIS CB C 32 30.975 30.975 29.758 1.217 18805 1383 1 5 . 1 1 32 32 HIS H H 32 8.342 8.342 8.473 -0.131 18805 1384 1 5 . 1 1 33 33 TYR N N 33 114.650 114.650 118.532 -3.882 18805 1385 1 5 . 1 1 33 33 TYR HA H 33 4.703 4.703 4.833 -0.130 18805 1386 1 5 . 1 1 33 33 TYR C C 33 172.558 172.558 173.704 -1.146 18805 1387 1 5 . 1 1 33 33 TYR CA C 33 55.146 55.146 54.697 0.449 18805 1388 1 5 . 1 1 33 33 TYR CB C 33 38.868 38.868 38.205 0.663 18805 1389 1 5 . 1 1 33 33 TYR H H 33 8.109 8.109 7.656 0.453 18805 1390 1 5 . 1 1 34 34 PRO HA H 34 4.273 4.273 4.373 -0.100 18805 1391 1 5 . 1 1 34 34 PRO C C 34 177.097 177.097 176.481 0.616 18805 1392 1 5 . 1 1 34 34 PRO CA C 34 62.413 62.413 62.702 -0.289 18805 1393 1 5 . 1 1 34 34 PRO CB C 34 30.790 30.790 32.003 -1.213 18805 1394 1 5 . 1 1 35 35 ASP N N 35 124.197 124.197 122.717 1.480 18805 1395 1 5 . 1 1 35 35 ASP HA H 35 4.447 4.447 4.455 -0.008 18805 1396 1 5 . 1 1 35 35 ASP C C 35 175.603 175.603 177.661 -2.058 18805 1397 1 5 . 1 1 35 35 ASP CA C 35 52.685 52.685 53.692 -1.007 18805 1398 1 5 . 1 1 35 35 ASP CB C 35 40.952 40.952 41.574 -0.622 18805 1399 1 5 . 1 1 35 35 ASP H H 35 8.547 8.547 8.188 0.359 18805 1400 1 5 . 1 1 36 36 VAL N N 36 118.006 118.006 119.683 -1.677 18805 1401 1 5 . 1 1 36 36 VAL HA H 36 3.473 3.473 3.742 -0.269 18805 1402 1 5 . 1 1 36 36 VAL C C 36 176.268 176.268 176.694 -0.426 18805 1403 1 5 . 1 1 36 36 VAL CA C 36 66.404 66.404 65.309 1.095 18805 1404 1 5 . 1 1 36 36 VAL CB C 36 31.419 31.419 31.723 -0.304 18805 1405 1 5 . 1 1 36 36 VAL H H 36 8.281 8.281 8.442 -0.161 18805 1406 1 5 . 1 1 37 37 TYR N N 37 121.225 121.225 120.338 0.887 18805 1407 1 5 . 1 1 37 37 TYR HA H 37 4.305 4.305 4.138 0.167 18805 1408 1 5 . 1 1 37 37 TYR C C 37 178.136 178.136 176.788 1.348 18805 1409 1 5 . 1 1 37 37 TYR CA C 37 60.808 60.808 61.706 -0.898 18805 1410 1 5 . 1 1 37 37 TYR CB C 37 37.392 37.392 38.076 -0.684 18805 1411 1 5 . 1 1 37 37 TYR H H 37 7.423 7.423 7.849 -0.426 18805 1412 1 5 . 1 1 38 38 ALA N N 38 122.550 122.550 121.363 1.187 18805 1413 1 5 . 1 1 38 38 ALA HA H 38 4.071 4.071 4.030 0.041 18805 1414 1 5 . 1 1 38 38 ALA C C 38 182.258 182.258 179.903 2.355 18805 1415 1 5 . 1 1 38 38 ALA CA C 38 54.885 54.885 54.984 -0.099 18805 1416 1 5 . 1 1 38 38 ALA CB C 38 18.336 18.336 18.172 0.165 18805 1417 1 5 . 1 1 38 38 ALA H H 38 8.376 8.376 8.168 0.208 18805 1418 1 5 . 1 1 39 39 ARG N N 39 117.400 117.400 117.149 0.251 18805 1419 1 5 . 1 1 39 39 ARG HA H 39 3.834 3.834 4.002 -0.168 18805 1420 1 5 . 1 1 39 39 ARG C C 39 178.142 178.142 178.901 -0.759 18805 1421 1 5 . 1 1 39 39 ARG CA C 39 60.991 60.991 57.907 3.084 18805 1422 1 5 . 1 1 39 39 ARG CB C 39 31.335 31.335 29.023 2.312 18805 1423 1 5 . 1 1 39 39 ARG H H 39 8.699 8.699 7.803 0.896 18805 1424 1 5 . 1 1 40 40 GLU N N 40 121.231 121.231 120.332 0.899 18805 1425 1 5 . 1 1 40 40 GLU HA H 40 3.943 3.943 3.977 -0.034 18805 1426 1 5 . 1 1 40 40 GLU C C 40 179.598 179.598 179.142 0.456 18805 1427 1 5 . 1 1 40 40 GLU CA C 40 59.805 59.805 59.267 0.538 18805 1428 1 5 . 1 1 40 40 GLU CB C 40 29.508 29.508 28.881 0.626 18805 1429 1 5 . 1 1 40 40 GLU H H 40 8.672 8.672 7.791 0.881 18805 1430 1 5 . 1 1 41 41 GLN N N 41 118.662 118.662 117.404 1.258 18805 1431 1 5 . 1 1 41 41 GLN HA H 41 3.958 3.958 4.021 -0.063 18805 1432 1 5 . 1 1 41 41 GLN C C 41 178.675 178.675 178.801 -0.126 18805 1433 1 5 . 1 1 41 41 GLN CA C 41 58.594 58.594 57.842 0.752 18805 1434 1 5 . 1 1 41 41 GLN CB C 41 28.396 28.396 28.319 0.077 18805 1435 1 5 . 1 1 41 41 GLN H H 41 8.264 8.264 7.554 0.710 18805 1436 1 5 . 1 1 42 42 LEU N N 42 121.044 121.044 120.746 0.298 18805 1437 1 5 . 1 1 42 42 LEU HA H 42 4.009 4.009 3.987 0.022 18805 1438 1 5 . 1 1 42 42 LEU C C 42 179.727 179.727 178.038 1.689 18805 1439 1 5 . 1 1 42 42 LEU CA C 42 57.600 57.600 57.470 0.130 18805 1440 1 5 . 1 1 42 42 LEU CB C 42 42.752 42.752 41.310 1.442 18805 1441 1 5 . 1 1 42 42 LEU H H 42 7.909 7.909 7.747 0.162 18805 1442 1 5 . 1 1 43 43 ALA N N 43 124.342 124.342 121.855 2.487 18805 1443 1 5 . 1 1 43 43 ALA HA H 43 3.697 3.697 4.169 -0.472 18805 1444 1 5 . 1 1 43 43 ALA C C 43 179.056 179.056 179.835 -0.779 18805 1445 1 5 . 1 1 43 43 ALA CA C 43 55.561 55.561 54.679 0.882 18805 1446 1 5 . 1 1 43 43 ALA CB C 43 17.186 17.186 18.587 -1.401 18805 1447 1 5 . 1 1 43 43 ALA H H 43 8.647 8.647 7.824 0.823 18805 1448 1 5 . 1 1 44 44 MET N N 44 115.878 115.878 116.792 -0.914 18805 1449 1 5 . 1 1 44 44 MET HA H 44 4.262 4.262 4.116 0.146 18805 1450 1 5 . 1 1 44 44 MET C C 44 179.154 179.154 178.499 0.655 18805 1451 1 5 . 1 1 44 44 MET CA C 44 58.569 58.569 58.535 0.035 18805 1452 1 5 . 1 1 44 44 MET CB C 44 32.138 32.138 32.599 -0.461 18805 1453 1 5 . 1 1 44 44 MET H H 44 7.926 7.926 7.730 0.196 18805 1454 1 5 . 1 1 45 45 ARG N N 45 116.503 116.503 118.519 -2.016 18805 1455 1 5 . 1 1 45 45 ARG HA H 45 4.402 4.402 4.249 0.153 18805 1456 1 5 . 1 1 45 45 ARG C C 45 177.591 177.591 178.579 -0.988 18805 1457 1 5 . 1 1 45 45 ARG CA C 45 58.315 58.315 58.847 -0.532 18805 1458 1 5 . 1 1 45 45 ARG CB C 45 30.909 30.909 30.504 0.405 18805 1459 1 5 . 1 1 45 45 ARG H H 45 7.903 7.903 7.957 -0.054 18805 1460 1 5 . 1 1 46 46 THR N N 46 105.711 105.711 108.379 -2.668 18805 1461 1 5 . 1 1 46 46 THR HA H 46 4.501 4.501 4.409 0.092 18805 1462 1 5 . 1 1 46 46 THR C C 46 174.417 174.417 174.935 -0.518 18805 1463 1 5 . 1 1 46 46 THR CA C 46 61.808 61.808 62.686 -0.878 18805 1464 1 5 . 1 1 46 46 THR CB C 46 70.714 70.714 69.620 1.095 18805 1465 1 5 . 1 1 46 46 THR H H 46 7.662 7.662 7.883 -0.221 18805 1466 1 5 . 1 1 47 47 ASP N N 47 120.391 120.391 119.093 1.298 18805 1467 1 5 . 1 1 47 47 ASP HA H 47 4.472 4.472 4.334 0.138 18805 1468 1 5 . 1 1 47 47 ASP C C 47 174.537 174.537 175.049 -0.512 18805 1469 1 5 . 1 1 47 47 ASP CA C 47 55.933 55.933 55.699 0.234 18805 1470 1 5 . 1 1 47 47 ASP CB C 47 39.565 39.565 40.060 -0.495 18805 1471 1 5 . 1 1 47 47 ASP H H 47 7.922 7.922 7.945 -0.023 18805 1472 1 5 . 1 1 48 48 LEU N N 48 118.406 118.406 120.076 -1.670 18805 1473 1 5 . 1 1 48 48 LEU HA H 48 4.891 4.891 4.567 0.324 18805 1474 1 5 . 1 1 48 48 LEU C C 48 176.180 176.180 177.035 -0.855 18805 1475 1 5 . 1 1 48 48 LEU CA C 48 52.943 52.943 54.378 -1.435 18805 1476 1 5 . 1 1 48 48 LEU CB C 48 46.638 46.638 43.127 3.511 18805 1477 1 5 . 1 1 48 48 LEU H H 48 8.072 8.072 7.401 0.671 18805 1478 1 5 . 1 1 49 49 THR N N 49 106.891 106.891 118.533 -11.642 18805 1479 1 5 . 1 1 49 49 THR HA H 49 4.597 4.597 4.179 0.418 18805 1480 1 5 . 1 1 49 49 THR C C 49 175.667 175.667 175.846 -0.179 18805 1481 1 5 . 1 1 49 49 THR CA C 49 59.573 59.573 62.824 -3.251 18805 1482 1 5 . 1 1 49 49 THR CB C 49 71.085 71.085 69.915 1.170 18805 1483 1 5 . 1 1 49 49 THR H H 49 7.071 7.071 8.423 -1.352 18805 1484 1 5 . 1 1 50 50 GLU N N 50 124.013 124.013 125.135 -1.122 18805 1485 1 5 . 1 1 50 50 GLU HA H 50 3.721 3.721 3.975 -0.254 18805 1486 1 5 . 1 1 50 50 GLU C C 50 178.112 178.112 178.592 -0.480 18805 1487 1 5 . 1 1 50 50 GLU CA C 50 60.982 60.982 60.141 0.841 18805 1488 1 5 . 1 1 50 50 GLU CB C 50 28.654 28.654 29.643 -0.989 18805 1489 1 5 . 1 1 50 50 GLU H H 50 9.271 9.271 8.999 0.272 18805 1490 1 5 . 1 1 51 51 ALA N N 51 119.708 119.708 121.149 -1.441 18805 1491 1 5 . 1 1 51 51 ALA HA H 51 4.108 4.108 4.050 0.058 18805 1492 1 5 . 1 1 51 51 ALA C C 51 180.493 180.493 179.849 0.644 18805 1493 1 5 . 1 1 51 51 ALA CA C 51 55.200 55.200 55.372 -0.172 18805 1494 1 5 . 1 1 51 51 ALA CB C 51 18.397 18.397 18.283 0.114 18805 1495 1 5 . 1 1 51 51 ALA H H 51 8.377 8.377 8.536 -0.159 18805 1496 1 5 . 1 1 52 52 ARG N N 52 117.740 117.740 118.790 -1.050 18805 1497 1 5 . 1 1 52 52 ARG HA H 52 4.213 4.213 4.302 -0.089 18805 1498 1 5 . 1 1 52 52 ARG C C 52 179.734 179.734 179.012 0.722 18805 1499 1 5 . 1 1 52 52 ARG CA C 52 59.006 59.006 58.345 0.661 18805 1500 1 5 . 1 1 52 52 ARG CB C 52 30.626 30.626 29.874 0.752 18805 1501 1 5 . 1 1 52 52 ARG H H 52 7.756 7.756 7.756 0.000 18805 1502 1 5 . 1 1 53 53 VAL N N 53 120.607 120.607 120.020 0.587 18805 1503 1 5 . 1 1 53 53 VAL HA H 53 3.706 3.706 3.853 -0.147 18805 1504 1 5 . 1 1 53 53 VAL C C 53 177.734 177.734 178.356 -0.622 18805 1505 1 5 . 1 1 53 53 VAL CA C 53 67.350 67.350 66.055 1.295 18805 1506 1 5 . 1 1 53 53 VAL CB C 53 31.900 31.900 30.961 0.939 18805 1507 1 5 . 1 1 53 53 VAL H H 53 8.206 8.206 8.132 0.074 18805 1508 1 5 . 1 1 54 54 GLN N N 54 119.441 119.441 119.889 -0.448 18805 1509 1 5 . 1 1 54 54 GLN HA H 54 4.401 4.401 4.074 0.328 18805 1510 1 5 . 1 1 54 54 GLN C C 54 179.055 179.055 178.918 0.137 18805 1511 1 5 . 1 1 54 54 GLN CA C 54 60.036 60.036 59.541 0.495 18805 1512 1 5 . 1 1 54 54 GLN CB C 54 28.509 28.509 28.760 -0.251 18805 1513 1 5 . 1 1 54 54 GLN H H 54 8.747 8.747 8.085 0.662 18805 1514 1 5 . 1 1 55 55 VAL N N 55 119.951 119.951 119.791 0.160 18805 1515 1 5 . 1 1 55 55 VAL HA H 55 3.783 3.783 3.823 -0.040 18805 1516 1 5 . 1 1 55 55 VAL C C 55 177.751 177.751 178.037 -0.286 18805 1517 1 5 . 1 1 55 55 VAL CA C 55 66.575 66.575 67.208 -0.633 18805 1518 1 5 . 1 1 55 55 VAL CB C 55 32.017 32.017 31.544 0.473 18805 1519 1 5 . 1 1 55 55 VAL H H 55 7.973 7.973 7.740 0.233 18805 1520 1 5 . 1 1 56 56 TRP N N 56 121.386 121.386 121.322 0.064 18805 1521 1 5 . 1 1 56 56 TRP HA H 56 4.075 4.075 4.130 -0.055 18805 1522 1 5 . 1 1 56 56 TRP C C 56 179.849 179.849 178.101 1.748 18805 1523 1 5 . 1 1 56 56 TRP CA C 56 63.249 63.249 61.755 1.494 18805 1524 1 5 . 1 1 56 56 TRP CB C 56 28.266 28.266 29.403 -1.137 18805 1525 1 5 . 1 1 56 56 TRP H H 56 8.351 8.351 7.912 0.439 18805 1526 1 5 . 1 1 57 57 PHE N N 57 118.444 118.444 117.673 0.771 18805 1527 1 5 . 1 1 57 57 PHE HA H 57 3.629 3.629 3.802 -0.173 18805 1528 1 5 . 1 1 57 57 PHE C C 57 178.058 178.058 178.237 -0.179 18805 1529 1 5 . 1 1 57 57 PHE CA C 57 63.831 63.831 62.829 1.002 18805 1530 1 5 . 1 1 57 57 PHE CB C 57 39.161 39.161 38.762 0.399 18805 1531 1 5 . 1 1 57 57 PHE H H 57 8.924 8.924 8.199 0.725 18805 1532 1 5 . 1 1 58 58 GLN N N 58 119.552 119.552 117.913 1.639 18805 1533 1 5 . 1 1 58 58 GLN HA H 58 3.958 3.958 4.014 -0.056 18805 1534 1 5 . 1 1 58 58 GLN C C 58 179.475 179.475 178.779 0.696 18805 1535 1 5 . 1 1 58 58 GLN CA C 58 59.730 59.730 59.142 0.588 18805 1536 1 5 . 1 1 58 58 GLN CB C 58 28.108 28.108 28.548 -0.440 18805 1537 1 5 . 1 1 58 58 GLN H H 58 8.322 8.322 8.467 -0.145 18805 1538 1 5 . 1 1 59 59 ASN N N 59 119.095 119.095 118.413 0.682 18805 1539 1 5 . 1 1 59 59 ASN HA H 59 4.344 4.344 4.446 -0.102 18805 1540 1 5 . 1 1 59 59 ASN C C 59 177.212 177.212 177.535 -0.323 18805 1541 1 5 . 1 1 59 59 ASN CA C 59 55.536 55.536 56.114 -0.578 18805 1542 1 5 . 1 1 59 59 ASN CB C 59 37.920 37.920 38.383 -0.463 18805 1543 1 5 . 1 1 59 59 ASN H H 59 8.158 8.158 7.803 0.355 18805 1544 1 5 . 1 1 60 60 ARG N N 60 124.480 124.480 121.030 3.450 18805 1545 1 5 . 1 1 60 60 ARG HA H 60 3.383 3.383 3.671 -0.288 18805 1546 1 5 . 1 1 60 60 ARG C C 60 179.622 179.622 178.452 1.170 18805 1547 1 5 . 1 1 60 60 ARG CA C 60 56.532 56.532 57.851 -1.319 18805 1548 1 5 . 1 1 60 60 ARG CB C 60 27.904 27.904 29.010 -1.106 18805 1549 1 5 . 1 1 60 60 ARG H H 60 8.494 8.494 7.724 0.770 18805 1550 1 5 . 1 1 61 61 ARG N N 61 118.870 118.870 119.121 -0.251 18805 1551 1 5 . 1 1 61 61 ARG HA H 61 3.946 3.946 4.265 -0.319 18805 1552 1 5 . 1 1 61 61 ARG C C 61 178.392 178.392 178.756 -0.364 18805 1553 1 5 . 1 1 61 61 ARG CA C 61 60.599 60.599 59.078 1.521 18805 1554 1 5 . 1 1 61 61 ARG CB C 61 31.546 31.546 30.122 1.424 18805 1555 1 5 . 1 1 61 61 ARG H H 61 8.310 8.310 8.195 0.115 18805 1556 1 5 . 1 1 62 62 ALA N N 62 121.373 121.373 121.982 -0.609 18805 1557 1 5 . 1 1 62 62 ALA HA H 62 4.163 4.163 4.195 -0.032 18805 1558 1 5 . 1 1 62 62 ALA C C 62 179.899 179.899 178.481 1.418 18805 1559 1 5 . 1 1 62 62 ALA CA C 62 55.109 55.109 54.957 0.152 18805 1560 1 5 . 1 1 62 62 ALA CB C 62 17.754 17.754 18.357 -0.603 18805 1561 1 5 . 1 1 62 62 ALA H H 62 7.382 7.382 7.738 -0.356 18805 1562 1 5 . 1 1 63 63 LYS N N 63 118.540 118.540 116.694 1.846 18805 1563 1 5 . 1 1 63 63 LYS HA H 63 3.986 3.986 4.142 -0.156 18805 1564 1 5 . 1 1 63 63 LYS C C 63 178.259 178.259 177.921 0.338 18805 1565 1 5 . 1 1 63 63 LYS CA C 63 58.727 58.727 57.931 0.796 18805 1566 1 5 . 1 1 63 63 LYS CB C 63 32.634 32.634 32.560 0.074 18805 1567 1 5 . 1 1 63 63 LYS H H 63 7.573 7.573 7.546 0.027 18805 1568 1 5 . 1 1 64 64 TRP N N 64 121.094 121.094 120.253 0.841 18805 1569 1 5 . 1 1 64 64 TRP HA H 64 4.436 4.436 4.412 0.024 18805 1570 1 5 . 1 1 64 64 TRP C C 64 177.662 177.662 176.520 1.142 18805 1571 1 5 . 1 1 64 64 TRP CA C 64 60.130 60.130 58.755 1.375 18805 1572 1 5 . 1 1 64 64 TRP CB C 64 29.138 29.138 29.895 -0.757 18805 1573 1 5 . 1 1 64 64 TRP H H 64 8.032 8.032 7.507 0.525 18805 1574 1 5 . 1 1 65 65 ARG N N 65 118.674 118.674 120.146 -1.472 18805 1575 1 5 . 1 1 65 65 ARG HA H 65 3.783 3.783 3.935 -0.152 18805 1576 1 5 . 1 1 65 65 ARG C C 65 177.342 177.342 175.662 1.680 18805 1577 1 5 . 1 1 65 65 ARG CA C 65 58.290 58.290 55.372 2.918 18805 1578 1 5 . 1 1 65 65 ARG CB C 65 30.580 30.580 30.309 0.271 18805 1579 1 5 . 1 1 65 65 ARG H H 65 8.232 8.232 7.582 0.650 18805 1580 1 5 . 1 1 66 66 LYS N N 66 118.567 118.567 126.173 -7.606 18805 1581 1 5 . 1 1 66 66 LYS HA H 66 4.122 4.122 4.126 -0.004 18805 1582 1 5 . 1 1 66 66 LYS C C 66 177.060 177.060 176.620 0.440 18805 1583 1 5 . 1 1 66 66 LYS CA C 66 57.389 57.389 56.788 0.601 18805 1584 1 5 . 1 1 66 66 LYS CB C 66 32.659 32.659 32.846 -0.187 18805 1585 1 5 . 1 1 66 66 LYS H H 66 7.591 7.591 8.116 -0.525 18805 1586 1 5 . 1 1 67 67 ARG N N 67 119.185 119.185 121.608 -2.423 18805 1587 1 5 . 1 1 67 67 ARG HA H 67 4.183 4.183 4.059 0.124 18805 1588 1 5 . 1 1 67 67 ARG C C 67 176.830 176.830 174.970 1.860 18805 1589 1 5 . 1 1 67 67 ARG CA C 67 56.879 56.879 56.534 0.345 18805 1590 1 5 . 1 1 67 67 ARG CB C 67 30.226 30.226 29.153 1.073 18805 1591 1 5 . 1 1 67 67 ARG H H 67 7.722 7.722 8.511 -0.789 18805 1592 1 5 . 1 1 68 68 GLU N N 68 120.614 120.614 122.086 -1.472 18805 1593 1 5 . 1 1 68 68 GLU HA H 68 4.087 4.087 4.285 -0.198 18805 1594 1 5 . 1 1 68 68 GLU C C 68 176.803 176.803 177.373 -0.570 18805 1595 1 5 . 1 1 68 68 GLU CA C 68 57.076 57.076 56.482 0.594 18805 1596 1 5 . 1 1 68 68 GLU CB C 68 30.099 30.099 29.942 0.157 18805 1597 1 5 . 1 1 68 68 GLU H H 68 8.157 8.157 8.341 -0.184 18805 1598 1 5 . 1 1 69 69 ARG N N 69 120.012 120.012 127.756 -7.744 18805 1599 1 5 . 1 1 69 69 ARG C C 69 176.270 176.270 176.317 -0.047 18805 1600 1 5 . 1 1 69 69 ARG CA C 69 66.543 66.543 57.065 9.478 18805 1601 1 5 . 1 1 69 69 ARG CB C 69 32.203 32.203 29.928 2.275 18805 1602 1 5 . 1 1 69 69 ARG H H 69 7.974 7.974 8.818 -0.844 18805 1603 1 5 . 1 1 70 70 PHE HA H 70 4.577 4.577 4.255 0.322 18805 1604 1 5 . 1 1 70 70 PHE CA C 70 58.021 58.021 57.898 0.123 18805 1605 1 5 . 1 1 70 70 PHE CB C 70 39.295 39.295 37.657 1.638 18805 1606 1 6 . 1 1 16 16 PHE HA H 16 5.000 5.000 4.184 0.816 18805 1607 1 6 . 1 1 16 16 PHE C C 16 176.744 176.744 174.743 2.001 18805 1608 1 6 . 1 1 16 16 PHE CA C 16 57.425 57.425 59.348 -1.923 18805 1609 1 6 . 1 1 16 16 PHE CB C 16 41.475 41.475 37.872 3.603 18805 1610 1 6 . 1 1 16 16 PHE H H 16 9.114 9.114 8.149 0.965 18805 1611 1 6 . 1 1 17 17 THR N N 17 113.394 113.394 113.721 -0.327 18805 1612 1 6 . 1 1 17 17 THR HA H 17 4.552 4.552 4.707 -0.155 18805 1613 1 6 . 1 1 17 17 THR C C 17 175.352 175.352 175.550 -0.198 18805 1614 1 6 . 1 1 17 17 THR CA C 17 60.392 60.392 59.849 0.543 18805 1615 1 6 . 1 1 17 17 THR CB C 17 71.013 71.013 70.702 0.311 18805 1616 1 6 . 1 1 17 17 THR H H 17 9.106 9.106 8.477 0.629 18805 1617 1 6 . 1 1 18 18 SER HA H 18 4.146 4.146 4.245 -0.099 18805 1618 1 6 . 1 1 18 18 SER C C 18 176.860 176.860 176.042 0.818 18805 1619 1 6 . 1 1 18 18 SER CA C 18 62.173 62.173 61.722 0.451 18805 1620 1 6 . 1 1 18 18 SER CB C 18 62.172 62.172 63.121 -0.949 18805 1621 1 6 . 1 1 19 19 TYR N N 19 121.561 121.561 121.865 -0.304 18805 1622 1 6 . 1 1 19 19 TYR HA H 19 4.340 4.340 4.096 0.244 18805 1623 1 6 . 1 1 19 19 TYR C C 19 176.860 176.860 177.014 -0.154 18805 1624 1 6 . 1 1 19 19 TYR CA C 19 60.736 60.736 62.032 -1.296 18805 1625 1 6 . 1 1 19 19 TYR CB C 19 38.557 38.557 38.151 0.406 18805 1626 1 6 . 1 1 19 19 TYR H H 19 8.145 8.145 7.883 0.262 18805 1627 1 6 . 1 1 20 20 GLN N N 20 116.967 116.967 118.508 -1.541 18805 1628 1 6 . 1 1 20 20 GLN HA H 20 3.359 3.359 3.706 -0.347 18805 1629 1 6 . 1 1 20 20 GLN C C 20 177.344 177.344 177.849 -0.505 18805 1630 1 6 . 1 1 20 20 GLN CA C 20 59.633 59.633 59.043 0.590 18805 1631 1 6 . 1 1 20 20 GLN CB C 20 27.866 27.866 28.107 -0.241 18805 1632 1 6 . 1 1 20 20 GLN H H 20 7.545 7.545 8.133 -0.588 18805 1633 1 6 . 1 1 21 21 LEU N N 21 115.751 115.751 119.283 -3.532 18805 1634 1 6 . 1 1 21 21 LEU HA H 21 3.532 3.532 3.502 0.030 18805 1635 1 6 . 1 1 21 21 LEU C C 21 178.858 178.858 178.969 -0.111 18805 1636 1 6 . 1 1 21 21 LEU CA C 21 57.774 57.774 57.522 0.252 18805 1637 1 6 . 1 1 21 21 LEU CB C 21 41.660 41.660 41.358 0.303 18805 1638 1 6 . 1 1 21 21 LEU H H 21 8.116 8.116 7.870 0.246 18805 1639 1 6 . 1 1 22 22 GLU N N 22 118.939 118.939 119.273 -0.334 18805 1640 1 6 . 1 1 22 22 GLU HA H 22 3.876 3.876 3.931 -0.055 18805 1641 1 6 . 1 1 22 22 GLU C C 22 179.617 179.617 179.395 0.222 18805 1642 1 6 . 1 1 22 22 GLU CA C 22 59.244 59.244 59.262 -0.018 18805 1643 1 6 . 1 1 22 22 GLU CB C 22 29.454 29.454 29.213 0.241 18805 1644 1 6 . 1 1 22 22 GLU H H 22 8.108 8.108 7.657 0.451 18805 1645 1 6 . 1 1 23 23 GLU N N 23 117.643 117.643 119.654 -2.011 18805 1646 1 6 . 1 1 23 23 GLU HA H 23 3.699 3.699 3.942 -0.243 18805 1647 1 6 . 1 1 23 23 GLU C C 23 179.328 179.328 178.923 0.405 18805 1648 1 6 . 1 1 23 23 GLU CA C 23 58.616 58.616 58.468 0.148 18805 1649 1 6 . 1 1 23 23 GLU CB C 23 29.191 29.191 29.263 -0.072 18805 1650 1 6 . 1 1 23 23 GLU H H 23 7.631 7.631 7.620 0.011 18805 1651 1 6 . 1 1 24 24 LEU N N 24 122.218 122.218 119.661 2.557 18805 1652 1 6 . 1 1 24 24 LEU HA H 24 3.490 3.490 3.699 -0.209 18805 1653 1 6 . 1 1 24 24 LEU C C 24 177.731 177.731 178.645 -0.914 18805 1654 1 6 . 1 1 24 24 LEU CA C 24 58.732 58.732 58.052 0.680 18805 1655 1 6 . 1 1 24 24 LEU CB C 24 38.207 38.207 40.648 -2.441 18805 1656 1 6 . 1 1 24 24 LEU H H 24 7.995 7.995 7.960 0.035 18805 1657 1 6 . 1 1 25 25 GLU N N 25 118.406 118.406 118.522 -0.116 18805 1658 1 6 . 1 1 25 25 GLU HA H 25 4.278 4.278 4.055 0.223 18805 1659 1 6 . 1 1 25 25 GLU C C 25 179.059 179.059 178.764 0.295 18805 1660 1 6 . 1 1 25 25 GLU CA C 25 58.612 58.612 59.256 -0.644 18805 1661 1 6 . 1 1 25 25 GLU CB C 25 28.957 28.957 29.421 -0.464 18805 1662 1 6 . 1 1 25 25 GLU H H 25 7.833 7.833 7.607 0.226 18805 1663 1 6 . 1 1 26 26 LYS N N 26 118.033 118.033 119.788 -1.755 18805 1664 1 6 . 1 1 26 26 LYS HA H 26 3.978 3.978 3.926 0.052 18805 1665 1 6 . 1 1 26 26 LYS C C 26 180.388 180.388 179.057 1.331 18805 1666 1 6 . 1 1 26 26 LYS CA C 26 59.919 59.919 59.572 0.347 18805 1667 1 6 . 1 1 26 26 LYS CB C 26 32.821 32.821 32.384 0.437 18805 1668 1 6 . 1 1 26 26 LYS H H 26 7.795 7.795 7.247 0.548 18805 1669 1 6 . 1 1 27 27 VAL N N 27 118.207 118.207 118.932 -0.725 18805 1670 1 6 . 1 1 27 27 VAL HA H 27 3.853 3.853 3.682 0.171 18805 1671 1 6 . 1 1 27 27 VAL C C 27 177.057 177.057 177.892 -0.835 18805 1672 1 6 . 1 1 27 27 VAL CA C 27 66.944 66.944 66.080 0.864 18805 1673 1 6 . 1 1 27 27 VAL CB C 27 31.034 31.034 31.786 -0.752 18805 1674 1 6 . 1 1 27 27 VAL H H 27 7.316 7.316 7.499 -0.183 18805 1675 1 6 . 1 1 28 28 PHE N N 28 122.791 122.791 119.979 2.812 18805 1676 1 6 . 1 1 28 28 PHE HA H 28 4.744 4.744 4.586 0.158 18805 1677 1 6 . 1 1 28 28 PHE C C 28 175.721 175.721 177.049 -1.328 18805 1678 1 6 . 1 1 28 28 PHE CA C 28 61.452 61.452 60.699 0.753 18805 1679 1 6 . 1 1 28 28 PHE CB C 28 38.872 38.872 39.255 -0.383 18805 1680 1 6 . 1 1 28 28 PHE H H 28 8.540 8.540 7.848 0.692 18805 1681 1 6 . 1 1 29 29 GLN N N 29 112.048 112.048 117.416 -5.368 18805 1682 1 6 . 1 1 29 29 GLN HA H 29 3.843 3.843 3.943 -0.100 18805 1683 1 6 . 1 1 29 29 GLN C C 29 177.467 177.467 177.701 -0.234 18805 1684 1 6 . 1 1 29 29 GLN CA C 29 57.595 57.595 57.827 -0.232 18805 1685 1 6 . 1 1 29 29 GLN CB C 29 28.204 28.204 28.538 -0.334 18805 1686 1 6 . 1 1 29 29 GLN H H 29 8.129 8.129 7.836 0.293 18805 1687 1 6 . 1 1 30 30 LYS N N 30 118.854 118.854 117.137 1.717 18805 1688 1 6 . 1 1 30 30 LYS HA H 30 4.260 4.260 4.137 0.123 18805 1689 1 6 . 1 1 30 30 LYS C C 30 176.920 176.920 177.362 -0.442 18805 1690 1 6 . 1 1 30 30 LYS CA C 30 57.449 57.449 57.664 -0.215 18805 1691 1 6 . 1 1 30 30 LYS CB C 30 33.450 33.450 33.400 0.050 18805 1692 1 6 . 1 1 30 30 LYS H H 30 7.599 7.599 7.647 -0.048 18805 1693 1 6 . 1 1 31 31 THR N N 31 115.210 115.210 112.772 2.438 18805 1694 1 6 . 1 1 31 31 THR HA H 31 4.279 4.279 4.431 -0.152 18805 1695 1 6 . 1 1 31 31 THR C C 31 171.092 171.092 174.295 -3.203 18805 1696 1 6 . 1 1 31 31 THR CA C 31 59.113 59.113 61.304 -2.191 18805 1697 1 6 . 1 1 31 31 THR CB C 31 69.375 69.375 69.880 -0.505 18805 1698 1 6 . 1 1 31 31 THR H H 31 8.840 8.840 7.899 0.941 18805 1699 1 6 . 1 1 32 32 HIS N N 32 123.048 123.048 126.604 -3.556 18805 1700 1 6 . 1 1 32 32 HIS HA H 32 4.343 4.343 3.868 0.475 18805 1701 1 6 . 1 1 32 32 HIS C C 32 174.598 174.598 175.104 -0.506 18805 1702 1 6 . 1 1 32 32 HIS CA C 32 55.323 55.323 57.976 -2.653 18805 1703 1 6 . 1 1 32 32 HIS CB C 32 30.975 30.975 29.271 1.704 18805 1704 1 6 . 1 1 32 32 HIS H H 32 8.342 8.342 8.387 -0.045 18805 1705 1 6 . 1 1 33 33 TYR N N 33 114.650 114.650 119.322 -4.672 18805 1706 1 6 . 1 1 33 33 TYR HA H 33 4.703 4.703 4.706 -0.003 18805 1707 1 6 . 1 1 33 33 TYR C C 33 172.558 172.558 173.843 -1.285 18805 1708 1 6 . 1 1 33 33 TYR CA C 33 55.146 55.146 54.727 0.419 18805 1709 1 6 . 1 1 33 33 TYR CB C 33 38.868 38.868 38.536 0.332 18805 1710 1 6 . 1 1 33 33 TYR H H 33 8.109 8.109 7.629 0.480 18805 1711 1 6 . 1 1 34 34 PRO HA H 34 4.273 4.273 4.473 -0.200 18805 1712 1 6 . 1 1 34 34 PRO C C 34 177.097 177.097 176.353 0.744 18805 1713 1 6 . 1 1 34 34 PRO CA C 34 62.413 62.413 62.604 -0.191 18805 1714 1 6 . 1 1 34 34 PRO CB C 34 30.790 30.790 31.837 -1.047 18805 1715 1 6 . 1 1 35 35 ASP N N 35 124.197 124.197 125.804 -1.607 18805 1716 1 6 . 1 1 35 35 ASP HA H 35 4.447 4.447 4.501 -0.054 18805 1717 1 6 . 1 1 35 35 ASP C C 35 175.603 175.603 177.848 -2.245 18805 1718 1 6 . 1 1 35 35 ASP CA C 35 52.685 52.685 54.531 -1.846 18805 1719 1 6 . 1 1 35 35 ASP CB C 35 40.952 40.952 41.579 -0.627 18805 1720 1 6 . 1 1 35 35 ASP H H 35 8.547 8.547 8.339 0.208 18805 1721 1 6 . 1 1 36 36 VAL N N 36 118.006 118.006 121.099 -3.093 18805 1722 1 6 . 1 1 36 36 VAL HA H 36 3.473 3.473 3.714 -0.241 18805 1723 1 6 . 1 1 36 36 VAL C C 36 176.268 176.268 177.545 -1.277 18805 1724 1 6 . 1 1 36 36 VAL CA C 36 66.404 66.404 66.021 0.383 18805 1725 1 6 . 1 1 36 36 VAL CB C 36 31.419 31.419 32.146 -0.727 18805 1726 1 6 . 1 1 36 36 VAL H H 36 8.281 8.281 8.454 -0.173 18805 1727 1 6 . 1 1 37 37 TYR N N 37 121.225 121.225 120.578 0.647 18805 1728 1 6 . 1 1 37 37 TYR HA H 37 4.305 4.305 4.271 0.034 18805 1729 1 6 . 1 1 37 37 TYR C C 37 178.136 178.136 176.845 1.291 18805 1730 1 6 . 1 1 37 37 TYR CA C 37 60.808 60.808 61.311 -0.503 18805 1731 1 6 . 1 1 37 37 TYR CB C 37 37.392 37.392 37.359 0.033 18805 1732 1 6 . 1 1 37 37 TYR H H 37 7.423 7.423 8.302 -0.879 18805 1733 1 6 . 1 1 38 38 ALA N N 38 122.550 122.550 121.739 0.811 18805 1734 1 6 . 1 1 38 38 ALA HA H 38 4.071 4.071 4.032 0.039 18805 1735 1 6 . 1 1 38 38 ALA C C 38 182.258 182.258 179.946 2.312 18805 1736 1 6 . 1 1 38 38 ALA CA C 38 54.885 54.885 55.136 -0.252 18805 1737 1 6 . 1 1 38 38 ALA CB C 38 18.336 18.336 18.019 0.317 18805 1738 1 6 . 1 1 38 38 ALA H H 38 8.376 8.376 8.488 -0.112 18805 1739 1 6 . 1 1 39 39 ARG N N 39 117.400 117.400 117.653 -0.253 18805 1740 1 6 . 1 1 39 39 ARG HA H 39 3.834 3.834 3.965 -0.131 18805 1741 1 6 . 1 1 39 39 ARG C C 39 178.142 178.142 178.908 -0.766 18805 1742 1 6 . 1 1 39 39 ARG CA C 39 60.991 60.991 59.166 1.825 18805 1743 1 6 . 1 1 39 39 ARG CB C 39 31.335 31.335 30.098 1.237 18805 1744 1 6 . 1 1 39 39 ARG H H 39 8.699 8.699 8.135 0.564 18805 1745 1 6 . 1 1 40 40 GLU N N 40 121.231 121.231 120.411 0.820 18805 1746 1 6 . 1 1 40 40 GLU HA H 40 3.943 3.943 3.938 0.005 18805 1747 1 6 . 1 1 40 40 GLU C C 40 179.598 179.598 178.792 0.806 18805 1748 1 6 . 1 1 40 40 GLU CA C 40 59.805 59.805 59.378 0.427 18805 1749 1 6 . 1 1 40 40 GLU CB C 40 29.508 29.508 29.140 0.368 18805 1750 1 6 . 1 1 40 40 GLU H H 40 8.672 8.672 8.084 0.588 18805 1751 1 6 . 1 1 41 41 GLN N N 41 118.662 118.662 117.828 0.834 18805 1752 1 6 . 1 1 41 41 GLN HA H 41 3.958 3.958 3.948 0.010 18805 1753 1 6 . 1 1 41 41 GLN C C 41 178.675 178.675 178.703 -0.028 18805 1754 1 6 . 1 1 41 41 GLN CA C 41 58.594 58.594 57.871 0.723 18805 1755 1 6 . 1 1 41 41 GLN CB C 41 28.396 28.396 28.208 0.188 18805 1756 1 6 . 1 1 41 41 GLN H H 41 8.264 8.264 7.756 0.508 18805 1757 1 6 . 1 1 42 42 LEU N N 42 121.044 121.044 120.905 0.139 18805 1758 1 6 . 1 1 42 42 LEU HA H 42 4.009 4.009 4.017 -0.008 18805 1759 1 6 . 1 1 42 42 LEU C C 42 179.727 179.727 177.850 1.877 18805 1760 1 6 . 1 1 42 42 LEU CA C 42 57.600 57.600 57.189 0.411 18805 1761 1 6 . 1 1 42 42 LEU CB C 42 42.752 42.752 41.329 1.423 18805 1762 1 6 . 1 1 42 42 LEU H H 42 7.909 7.909 7.675 0.234 18805 1763 1 6 . 1 1 43 43 ALA N N 43 124.342 124.342 121.314 3.028 18805 1764 1 6 . 1 1 43 43 ALA HA H 43 3.697 3.697 4.223 -0.526 18805 1765 1 6 . 1 1 43 43 ALA C C 43 179.056 179.056 179.003 0.053 18805 1766 1 6 . 1 1 43 43 ALA CA C 43 55.561 55.561 54.376 1.185 18805 1767 1 6 . 1 1 43 43 ALA CB C 43 17.186 17.186 18.613 -1.427 18805 1768 1 6 . 1 1 43 43 ALA H H 43 8.647 8.647 7.917 0.730 18805 1769 1 6 . 1 1 44 44 MET N N 44 115.878 115.878 116.158 -0.280 18805 1770 1 6 . 1 1 44 44 MET HA H 44 4.262 4.262 4.293 -0.031 18805 1771 1 6 . 1 1 44 44 MET C C 44 179.154 179.154 178.283 0.871 18805 1772 1 6 . 1 1 44 44 MET CA C 44 58.569 58.569 56.379 2.190 18805 1773 1 6 . 1 1 44 44 MET CB C 44 32.138 32.138 31.585 0.553 18805 1774 1 6 . 1 1 44 44 MET H H 44 7.926 7.926 7.647 0.279 18805 1775 1 6 . 1 1 45 45 ARG N N 45 116.503 116.503 119.382 -2.879 18805 1776 1 6 . 1 1 45 45 ARG HA H 45 4.402 4.402 4.184 0.218 18805 1777 1 6 . 1 1 45 45 ARG C C 45 177.591 177.591 178.494 -0.903 18805 1778 1 6 . 1 1 45 45 ARG CA C 45 58.315 58.315 58.547 -0.232 18805 1779 1 6 . 1 1 45 45 ARG CB C 45 30.909 30.909 29.855 1.054 18805 1780 1 6 . 1 1 45 45 ARG H H 45 7.903 7.903 7.997 -0.094 18805 1781 1 6 . 1 1 46 46 THR N N 46 105.711 105.711 108.864 -3.153 18805 1782 1 6 . 1 1 46 46 THR HA H 46 4.501 4.501 4.492 0.009 18805 1783 1 6 . 1 1 46 46 THR C C 46 174.417 174.417 174.565 -0.148 18805 1784 1 6 . 1 1 46 46 THR CA C 46 61.808 61.808 62.376 -0.568 18805 1785 1 6 . 1 1 46 46 THR CB C 46 70.714 70.714 69.678 1.036 18805 1786 1 6 . 1 1 46 46 THR H H 46 7.662 7.662 7.897 -0.235 18805 1787 1 6 . 1 1 47 47 ASP N N 47 120.391 120.391 118.877 1.514 18805 1788 1 6 . 1 1 47 47 ASP HA H 47 4.472 4.472 4.395 0.077 18805 1789 1 6 . 1 1 47 47 ASP C C 47 174.537 174.537 175.640 -1.103 18805 1790 1 6 . 1 1 47 47 ASP CA C 47 55.933 55.933 55.521 0.412 18805 1791 1 6 . 1 1 47 47 ASP CB C 47 39.565 39.565 39.492 0.073 18805 1792 1 6 . 1 1 47 47 ASP H H 47 7.922 7.922 7.991 -0.069 18805 1793 1 6 . 1 1 48 48 LEU N N 48 118.406 118.406 118.832 -0.426 18805 1794 1 6 . 1 1 48 48 LEU HA H 48 4.891 4.891 4.549 0.342 18805 1795 1 6 . 1 1 48 48 LEU C C 48 176.180 176.180 176.460 -0.280 18805 1796 1 6 . 1 1 48 48 LEU CA C 48 52.943 52.943 54.436 -1.493 18805 1797 1 6 . 1 1 48 48 LEU CB C 48 46.638 46.638 43.511 3.127 18805 1798 1 6 . 1 1 48 48 LEU H H 48 8.072 8.072 7.524 0.548 18805 1799 1 6 . 1 1 49 49 THR N N 49 106.891 106.891 112.865 -5.974 18805 1800 1 6 . 1 1 49 49 THR HA H 49 4.597 4.597 4.574 0.023 18805 1801 1 6 . 1 1 49 49 THR C C 49 175.667 175.667 175.835 -0.168 18805 1802 1 6 . 1 1 49 49 THR CA C 49 59.573 59.573 60.578 -1.005 18805 1803 1 6 . 1 1 49 49 THR CB C 49 71.085 71.085 70.656 0.429 18805 1804 1 6 . 1 1 49 49 THR H H 49 7.071 7.071 8.089 -1.018 18805 1805 1 6 . 1 1 50 50 GLU N N 50 124.013 124.013 123.482 0.531 18805 1806 1 6 . 1 1 50 50 GLU HA H 50 3.721 3.721 3.903 -0.182 18805 1807 1 6 . 1 1 50 50 GLU C C 50 178.112 178.112 178.627 -0.515 18805 1808 1 6 . 1 1 50 50 GLU CA C 50 60.982 60.982 60.332 0.650 18805 1809 1 6 . 1 1 50 50 GLU CB C 50 28.654 28.654 29.551 -0.897 18805 1810 1 6 . 1 1 50 50 GLU H H 50 9.271 9.271 9.064 0.207 18805 1811 1 6 . 1 1 51 51 ALA N N 51 119.708 119.708 122.445 -2.737 18805 1812 1 6 . 1 1 51 51 ALA HA H 51 4.108 4.108 4.196 -0.088 18805 1813 1 6 . 1 1 51 51 ALA C C 51 180.493 180.493 179.977 0.516 18805 1814 1 6 . 1 1 51 51 ALA CA C 51 55.200 55.200 55.068 0.132 18805 1815 1 6 . 1 1 51 51 ALA CB C 51 18.397 18.397 18.245 0.152 18805 1816 1 6 . 1 1 51 51 ALA H H 51 8.377 8.377 8.403 -0.026 18805 1817 1 6 . 1 1 52 52 ARG N N 52 117.740 117.740 118.790 -1.050 18805 1818 1 6 . 1 1 52 52 ARG HA H 52 4.213 4.213 4.364 -0.151 18805 1819 1 6 . 1 1 52 52 ARG C C 52 179.734 179.734 179.136 0.598 18805 1820 1 6 . 1 1 52 52 ARG CA C 52 59.006 59.006 58.439 0.567 18805 1821 1 6 . 1 1 52 52 ARG CB C 52 30.626 30.626 30.012 0.615 18805 1822 1 6 . 1 1 52 52 ARG H H 52 7.756 7.756 7.809 -0.053 18805 1823 1 6 . 1 1 53 53 VAL N N 53 120.607 120.607 120.353 0.254 18805 1824 1 6 . 1 1 53 53 VAL HA H 53 3.706 3.706 3.818 -0.112 18805 1825 1 6 . 1 1 53 53 VAL C C 53 177.734 177.734 177.827 -0.093 18805 1826 1 6 . 1 1 53 53 VAL CA C 53 67.350 67.350 66.415 0.935 18805 1827 1 6 . 1 1 53 53 VAL CB C 53 31.900 31.900 31.113 0.787 18805 1828 1 6 . 1 1 53 53 VAL H H 53 8.206 8.206 8.080 0.126 18805 1829 1 6 . 1 1 54 54 GLN N N 54 119.441 119.441 120.372 -0.931 18805 1830 1 6 . 1 1 54 54 GLN HA H 54 4.401 4.401 4.108 0.293 18805 1831 1 6 . 1 1 54 54 GLN C C 54 179.055 179.055 178.640 0.415 18805 1832 1 6 . 1 1 54 54 GLN CA C 54 60.036 60.036 59.585 0.451 18805 1833 1 6 . 1 1 54 54 GLN CB C 54 28.509 28.509 28.777 -0.268 18805 1834 1 6 . 1 1 54 54 GLN H H 54 8.747 8.747 7.924 0.823 18805 1835 1 6 . 1 1 55 55 VAL N N 55 119.951 119.951 119.258 0.693 18805 1836 1 6 . 1 1 55 55 VAL HA H 55 3.783 3.783 3.767 0.016 18805 1837 1 6 . 1 1 55 55 VAL C C 55 177.751 177.751 178.037 -0.286 18805 1838 1 6 . 1 1 55 55 VAL CA C 55 66.575 66.575 66.890 -0.315 18805 1839 1 6 . 1 1 55 55 VAL CB C 55 32.017 32.017 31.436 0.581 18805 1840 1 6 . 1 1 55 55 VAL H H 55 7.973 7.973 8.013 -0.040 18805 1841 1 6 . 1 1 56 56 TRP N N 56 121.386 121.386 121.911 -0.525 18805 1842 1 6 . 1 1 56 56 TRP HA H 56 4.075 4.075 4.276 -0.201 18805 1843 1 6 . 1 1 56 56 TRP C C 56 179.849 179.849 178.164 1.685 18805 1844 1 6 . 1 1 56 56 TRP CA C 56 63.249 63.249 61.971 1.278 18805 1845 1 6 . 1 1 56 56 TRP CB C 56 28.266 28.266 29.659 -1.393 18805 1846 1 6 . 1 1 56 56 TRP H H 56 8.351 8.351 7.883 0.468 18805 1847 1 6 . 1 1 57 57 PHE N N 57 118.444 118.444 117.407 1.037 18805 1848 1 6 . 1 1 57 57 PHE HA H 57 3.629 3.629 4.048 -0.419 18805 1849 1 6 . 1 1 57 57 PHE C C 57 178.058 178.058 178.444 -0.386 18805 1850 1 6 . 1 1 57 57 PHE CA C 57 63.831 63.831 62.319 1.512 18805 1851 1 6 . 1 1 57 57 PHE CB C 57 39.161 39.161 38.931 0.230 18805 1852 1 6 . 1 1 57 57 PHE H H 57 8.924 8.924 8.340 0.584 18805 1853 1 6 . 1 1 58 58 GLN N N 58 119.552 119.552 118.203 1.349 18805 1854 1 6 . 1 1 58 58 GLN HA H 58 3.958 3.958 4.031 -0.073 18805 1855 1 6 . 1 1 58 58 GLN C C 58 179.475 179.475 178.765 0.710 18805 1856 1 6 . 1 1 58 58 GLN CA C 58 59.730 59.730 58.832 0.898 18805 1857 1 6 . 1 1 58 58 GLN CB C 58 28.108 28.108 28.162 -0.054 18805 1858 1 6 . 1 1 58 58 GLN H H 58 8.322 8.322 8.617 -0.295 18805 1859 1 6 . 1 1 59 59 ASN N N 59 119.095 119.095 118.169 0.926 18805 1860 1 6 . 1 1 59 59 ASN HA H 59 4.344 4.344 4.440 -0.096 18805 1861 1 6 . 1 1 59 59 ASN C C 59 177.212 177.212 177.789 -0.577 18805 1862 1 6 . 1 1 59 59 ASN CA C 59 55.536 55.536 55.567 -0.031 18805 1863 1 6 . 1 1 59 59 ASN CB C 59 37.920 37.920 38.502 -0.582 18805 1864 1 6 . 1 1 59 59 ASN H H 59 8.158 8.158 7.919 0.239 18805 1865 1 6 . 1 1 60 60 ARG N N 60 124.480 124.480 120.323 4.157 18805 1866 1 6 . 1 1 60 60 ARG HA H 60 3.383 3.383 3.766 -0.383 18805 1867 1 6 . 1 1 60 60 ARG C C 60 179.622 179.622 178.808 0.814 18805 1868 1 6 . 1 1 60 60 ARG CA C 60 56.532 56.532 58.016 -1.484 18805 1869 1 6 . 1 1 60 60 ARG CB C 60 27.904 27.904 29.169 -1.266 18805 1870 1 6 . 1 1 60 60 ARG H H 60 8.494 8.494 8.038 0.456 18805 1871 1 6 . 1 1 61 61 ARG N N 61 118.870 118.870 118.355 0.515 18805 1872 1 6 . 1 1 61 61 ARG HA H 61 3.946 3.946 4.217 -0.271 18805 1873 1 6 . 1 1 61 61 ARG C C 61 178.392 178.392 178.247 0.145 18805 1874 1 6 . 1 1 61 61 ARG CA C 61 60.599 60.599 59.480 1.119 18805 1875 1 6 . 1 1 61 61 ARG CB C 61 31.546 31.546 30.128 1.418 18805 1876 1 6 . 1 1 61 61 ARG H H 61 8.310 8.310 8.012 0.298 18805 1877 1 6 . 1 1 62 62 ALA N N 62 121.373 121.373 121.988 -0.615 18805 1878 1 6 . 1 1 62 62 ALA HA H 62 4.163 4.163 4.211 -0.048 18805 1879 1 6 . 1 1 62 62 ALA C C 62 179.899 179.899 178.465 1.434 18805 1880 1 6 . 1 1 62 62 ALA CA C 62 55.109 55.109 54.712 0.397 18805 1881 1 6 . 1 1 62 62 ALA CB C 62 17.754 17.754 18.393 -0.639 18805 1882 1 6 . 1 1 62 62 ALA H H 62 7.382 7.382 7.725 -0.343 18805 1883 1 6 . 1 1 63 63 LYS N N 63 118.540 118.540 116.096 2.444 18805 1884 1 6 . 1 1 63 63 LYS HA H 63 3.986 3.986 4.233 -0.247 18805 1885 1 6 . 1 1 63 63 LYS C C 63 178.259 178.259 178.386 -0.127 18805 1886 1 6 . 1 1 63 63 LYS CA C 63 58.727 58.727 58.261 0.466 18805 1887 1 6 . 1 1 63 63 LYS CB C 63 32.634 32.634 32.616 0.018 18805 1888 1 6 . 1 1 63 63 LYS H H 63 7.573 7.573 7.554 0.019 18805 1889 1 6 . 1 1 64 64 TRP N N 64 121.094 121.094 120.790 0.304 18805 1890 1 6 . 1 1 64 64 TRP HA H 64 4.436 4.436 4.434 0.002 18805 1891 1 6 . 1 1 64 64 TRP C C 64 177.662 177.662 176.530 1.132 18805 1892 1 6 . 1 1 64 64 TRP CA C 64 60.130 60.130 59.562 0.568 18805 1893 1 6 . 1 1 64 64 TRP CB C 64 29.138 29.138 30.070 -0.932 18805 1894 1 6 . 1 1 64 64 TRP H H 64 8.032 8.032 7.680 0.352 18805 1895 1 6 . 1 1 65 65 ARG N N 65 118.674 118.674 118.217 0.457 18805 1896 1 6 . 1 1 65 65 ARG HA H 65 3.783 3.783 4.268 -0.485 18805 1897 1 6 . 1 1 65 65 ARG C C 65 177.342 177.342 175.959 1.383 18805 1898 1 6 . 1 1 65 65 ARG CA C 65 58.290 58.290 55.346 2.944 18805 1899 1 6 . 1 1 65 65 ARG CB C 65 30.580 30.580 30.687 -0.107 18805 1900 1 6 . 1 1 65 65 ARG H H 65 8.232 8.232 7.620 0.612 18805 1901 1 6 . 1 1 66 66 LYS N N 66 118.567 118.567 122.011 -3.444 18805 1902 1 6 . 1 1 66 66 LYS HA H 66 4.122 4.122 4.140 -0.018 18805 1903 1 6 . 1 1 66 66 LYS C C 66 177.060 177.060 176.038 1.022 18805 1904 1 6 . 1 1 66 66 LYS CA C 66 57.389 57.389 56.517 0.872 18805 1905 1 6 . 1 1 66 66 LYS CB C 66 32.659 32.659 30.989 1.670 18805 1906 1 6 . 1 1 66 66 LYS H H 66 7.591 7.591 8.582 -0.991 18805 1907 1 6 . 1 1 67 67 ARG N N 67 119.185 119.185 125.274 -6.089 18805 1908 1 6 . 1 1 67 67 ARG HA H 67 4.183 4.183 4.537 -0.354 18805 1909 1 6 . 1 1 67 67 ARG C C 67 176.830 176.830 176.081 0.749 18805 1910 1 6 . 1 1 67 67 ARG CA C 67 56.879 56.879 55.973 0.906 18805 1911 1 6 . 1 1 67 67 ARG CB C 67 30.226 30.226 31.343 -1.117 18805 1912 1 6 . 1 1 67 67 ARG H H 67 7.722 7.722 8.033 -0.311 18805 1913 1 6 . 1 1 68 68 GLU N N 68 120.614 120.614 126.374 -5.760 18805 1914 1 6 . 1 1 68 68 GLU HA H 68 4.087 4.087 4.270 -0.183 18805 1915 1 6 . 1 1 68 68 GLU C C 68 176.803 176.803 177.185 -0.382 18805 1916 1 6 . 1 1 68 68 GLU CA C 68 57.076 57.076 57.796 -0.720 18805 1917 1 6 . 1 1 68 68 GLU CB C 68 30.099 30.099 30.125 -0.025 18805 1918 1 6 . 1 1 68 68 GLU H H 68 8.157 8.157 8.919 -0.762 18805 1919 1 6 . 1 1 69 69 ARG N N 69 120.012 120.012 117.600 2.412 18805 1920 1 6 . 1 1 69 69 ARG C C 69 176.270 176.270 175.348 0.922 18805 1921 1 6 . 1 1 69 69 ARG CA C 69 66.543 66.543 55.961 10.582 18805 1922 1 6 . 1 1 69 69 ARG CB C 69 32.203 32.203 31.474 0.729 18805 1923 1 6 . 1 1 69 69 ARG H H 69 7.974 7.974 8.121 -0.147 18805 1924 1 6 . 1 1 70 70 PHE HA H 70 4.577 4.577 4.371 0.206 18805 1925 1 6 . 1 1 70 70 PHE CA C 70 58.021 58.021 59.114 -1.093 18805 1926 1 6 . 1 1 70 70 PHE CB C 70 39.295 39.295 39.577 -0.282 18805 1927 1 7 . 1 1 16 16 PHE HA H 16 5.000 5.000 5.182 -0.182 18805 1928 1 7 . 1 1 16 16 PHE C C 16 176.744 176.744 176.531 0.213 18805 1929 1 7 . 1 1 16 16 PHE CA C 16 57.425 57.425 55.702 1.723 18805 1930 1 7 . 1 1 16 16 PHE CB C 16 41.475 41.475 41.176 0.299 18805 1931 1 7 . 1 1 16 16 PHE H H 16 9.114 9.114 7.648 1.466 18805 1932 1 7 . 1 1 17 17 THR N N 17 113.394 113.394 114.242 -0.848 18805 1933 1 7 . 1 1 17 17 THR HA H 17 4.552 4.552 4.474 0.078 18805 1934 1 7 . 1 1 17 17 THR C C 17 175.352 175.352 175.931 -0.579 18805 1935 1 7 . 1 1 17 17 THR CA C 17 60.392 60.392 60.965 -0.573 18805 1936 1 7 . 1 1 17 17 THR CB C 17 71.013 71.013 70.653 0.360 18805 1937 1 7 . 1 1 17 17 THR H H 17 9.106 9.106 8.884 0.222 18805 1938 1 7 . 1 1 18 18 SER HA H 18 4.146 4.146 4.183 -0.037 18805 1939 1 7 . 1 1 18 18 SER C C 18 176.860 176.860 176.504 0.356 18805 1940 1 7 . 1 1 18 18 SER CA C 18 62.173 62.173 61.712 0.461 18805 1941 1 7 . 1 1 18 18 SER CB C 18 62.172 62.172 62.764 -0.592 18805 1942 1 7 . 1 1 19 19 TYR N N 19 121.561 121.561 121.149 0.412 18805 1943 1 7 . 1 1 19 19 TYR HA H 19 4.340 4.340 4.077 0.263 18805 1944 1 7 . 1 1 19 19 TYR C C 19 176.860 176.860 177.258 -0.398 18805 1945 1 7 . 1 1 19 19 TYR CA C 19 60.736 60.736 61.195 -0.459 18805 1946 1 7 . 1 1 19 19 TYR CB C 19 38.557 38.557 38.209 0.348 18805 1947 1 7 . 1 1 19 19 TYR H H 19 8.145 8.145 8.341 -0.196 18805 1948 1 7 . 1 1 20 20 GLN N N 20 116.967 116.967 117.891 -0.924 18805 1949 1 7 . 1 1 20 20 GLN HA H 20 3.359 3.359 3.627 -0.268 18805 1950 1 7 . 1 1 20 20 GLN C C 20 177.344 177.344 178.217 -0.873 18805 1951 1 7 . 1 1 20 20 GLN CA C 20 59.633 59.633 59.013 0.620 18805 1952 1 7 . 1 1 20 20 GLN CB C 20 27.866 27.866 28.715 -0.849 18805 1953 1 7 . 1 1 20 20 GLN H H 20 7.545 7.545 7.672 -0.127 18805 1954 1 7 . 1 1 21 21 LEU N N 21 115.751 115.751 119.652 -3.901 18805 1955 1 7 . 1 1 21 21 LEU HA H 21 3.532 3.532 3.509 0.023 18805 1956 1 7 . 1 1 21 21 LEU C C 21 178.858 178.858 178.847 0.011 18805 1957 1 7 . 1 1 21 21 LEU CA C 21 57.774 57.774 57.648 0.126 18805 1958 1 7 . 1 1 21 21 LEU CB C 21 41.660 41.660 41.447 0.213 18805 1959 1 7 . 1 1 21 21 LEU H H 21 8.116 8.116 7.869 0.247 18805 1960 1 7 . 1 1 22 22 GLU N N 22 118.939 118.939 117.662 1.277 18805 1961 1 7 . 1 1 22 22 GLU HA H 22 3.876 3.876 3.946 -0.070 18805 1962 1 7 . 1 1 22 22 GLU C C 22 179.617 179.617 179.147 0.470 18805 1963 1 7 . 1 1 22 22 GLU CA C 22 59.244 59.244 58.843 0.401 18805 1964 1 7 . 1 1 22 22 GLU CB C 22 29.454 29.454 28.677 0.777 18805 1965 1 7 . 1 1 22 22 GLU H H 22 8.108 8.108 7.674 0.434 18805 1966 1 7 . 1 1 23 23 GLU N N 23 117.643 117.643 119.015 -1.372 18805 1967 1 7 . 1 1 23 23 GLU HA H 23 3.699 3.699 4.016 -0.317 18805 1968 1 7 . 1 1 23 23 GLU C C 23 179.328 179.328 178.846 0.482 18805 1969 1 7 . 1 1 23 23 GLU CA C 23 58.616 58.616 57.997 0.619 18805 1970 1 7 . 1 1 23 23 GLU CB C 23 29.191 29.191 29.314 -0.123 18805 1971 1 7 . 1 1 23 23 GLU H H 23 7.631 7.631 7.319 0.312 18805 1972 1 7 . 1 1 24 24 LEU N N 24 122.218 122.218 119.573 2.645 18805 1973 1 7 . 1 1 24 24 LEU HA H 24 3.490 3.490 3.582 -0.092 18805 1974 1 7 . 1 1 24 24 LEU C C 24 177.731 177.731 178.526 -0.795 18805 1975 1 7 . 1 1 24 24 LEU CA C 24 58.732 58.732 57.826 0.906 18805 1976 1 7 . 1 1 24 24 LEU CB C 24 38.207 38.207 40.598 -2.391 18805 1977 1 7 . 1 1 24 24 LEU H H 24 7.995 7.995 7.804 0.191 18805 1978 1 7 . 1 1 25 25 GLU N N 25 118.406 118.406 117.024 1.382 18805 1979 1 7 . 1 1 25 25 GLU HA H 25 4.278 4.278 4.241 0.037 18805 1980 1 7 . 1 1 25 25 GLU C C 25 179.059 179.059 178.642 0.417 18805 1981 1 7 . 1 1 25 25 GLU CA C 25 58.612 58.612 58.801 -0.189 18805 1982 1 7 . 1 1 25 25 GLU CB C 25 28.957 28.957 28.680 0.277 18805 1983 1 7 . 1 1 25 25 GLU H H 25 7.833 7.833 8.003 -0.170 18805 1984 1 7 . 1 1 26 26 LYS N N 26 118.033 118.033 120.985 -2.952 18805 1985 1 7 . 1 1 26 26 LYS HA H 26 3.978 3.978 4.072 -0.094 18805 1986 1 7 . 1 1 26 26 LYS C C 26 180.388 180.388 178.732 1.656 18805 1987 1 7 . 1 1 26 26 LYS CA C 26 59.919 59.919 59.308 0.611 18805 1988 1 7 . 1 1 26 26 LYS CB C 26 32.821 32.821 32.322 0.499 18805 1989 1 7 . 1 1 26 26 LYS H H 26 7.795 7.795 7.472 0.323 18805 1990 1 7 . 1 1 27 27 VAL N N 27 118.207 118.207 118.778 -0.571 18805 1991 1 7 . 1 1 27 27 VAL HA H 27 3.853 3.853 3.720 0.133 18805 1992 1 7 . 1 1 27 27 VAL C C 27 177.057 177.057 177.956 -0.899 18805 1993 1 7 . 1 1 27 27 VAL CA C 27 66.944 66.944 65.401 1.543 18805 1994 1 7 . 1 1 27 27 VAL CB C 27 31.034 31.034 31.661 -0.627 18805 1995 1 7 . 1 1 27 27 VAL H H 27 7.316 7.316 7.774 -0.458 18805 1996 1 7 . 1 1 28 28 PHE N N 28 122.791 122.791 121.502 1.289 18805 1997 1 7 . 1 1 28 28 PHE HA H 28 4.744 4.744 4.859 -0.115 18805 1998 1 7 . 1 1 28 28 PHE C C 28 175.721 175.721 176.521 -0.800 18805 1999 1 7 . 1 1 28 28 PHE CA C 28 61.452 61.452 60.653 0.799 18805 2000 1 7 . 1 1 28 28 PHE CB C 28 38.872 38.872 39.487 -0.615 18805 2001 1 7 . 1 1 28 28 PHE H H 28 8.540 8.540 7.914 0.626 18805 2002 1 7 . 1 1 29 29 GLN N N 29 112.048 112.048 116.784 -4.736 18805 2003 1 7 . 1 1 29 29 GLN HA H 29 3.843 3.843 3.916 -0.073 18805 2004 1 7 . 1 1 29 29 GLN C C 29 177.467 177.467 177.507 -0.040 18805 2005 1 7 . 1 1 29 29 GLN CA C 29 57.595 57.595 57.301 0.294 18805 2006 1 7 . 1 1 29 29 GLN CB C 29 28.204 28.204 28.425 -0.222 18805 2007 1 7 . 1 1 29 29 GLN H H 29 8.129 8.129 7.738 0.391 18805 2008 1 7 . 1 1 30 30 LYS N N 30 118.854 118.854 119.198 -0.344 18805 2009 1 7 . 1 1 30 30 LYS HA H 30 4.260 4.260 3.996 0.264 18805 2010 1 7 . 1 1 30 30 LYS C C 30 176.920 176.920 177.105 -0.185 18805 2011 1 7 . 1 1 30 30 LYS CA C 30 57.449 57.449 57.969 -0.520 18805 2012 1 7 . 1 1 30 30 LYS CB C 30 33.450 33.450 32.997 0.453 18805 2013 1 7 . 1 1 30 30 LYS H H 30 7.599 7.599 7.777 -0.178 18805 2014 1 7 . 1 1 31 31 THR N N 31 115.210 115.210 111.269 3.941 18805 2015 1 7 . 1 1 31 31 THR HA H 31 4.279 4.279 4.128 0.151 18805 2016 1 7 . 1 1 31 31 THR C C 31 171.092 171.092 173.967 -2.875 18805 2017 1 7 . 1 1 31 31 THR CA C 31 59.113 59.113 61.527 -2.414 18805 2018 1 7 . 1 1 31 31 THR CB C 31 69.375 69.375 70.023 -0.648 18805 2019 1 7 . 1 1 31 31 THR H H 31 8.840 8.840 7.619 1.221 18805 2020 1 7 . 1 1 32 32 HIS N N 32 123.048 123.048 126.017 -2.969 18805 2021 1 7 . 1 1 32 32 HIS HA H 32 4.343 4.343 4.320 0.023 18805 2022 1 7 . 1 1 32 32 HIS C C 32 174.598 174.598 174.707 -0.109 18805 2023 1 7 . 1 1 32 32 HIS CA C 32 55.323 55.323 57.245 -1.923 18805 2024 1 7 . 1 1 32 32 HIS CB C 32 30.975 30.975 29.569 1.406 18805 2025 1 7 . 1 1 32 32 HIS H H 32 8.342 8.342 8.318 0.024 18805 2026 1 7 . 1 1 33 33 TYR N N 33 114.650 114.650 116.017 -1.367 18805 2027 1 7 . 1 1 33 33 TYR HA H 33 4.703 4.703 4.839 -0.136 18805 2028 1 7 . 1 1 33 33 TYR C C 33 172.558 172.558 173.494 -0.936 18805 2029 1 7 . 1 1 33 33 TYR CA C 33 55.146 55.146 53.440 1.706 18805 2030 1 7 . 1 1 33 33 TYR CB C 33 38.868 38.868 37.923 0.945 18805 2031 1 7 . 1 1 33 33 TYR H H 33 8.109 8.109 7.116 0.993 18805 2032 1 7 . 1 1 34 34 PRO HA H 34 4.273 4.273 4.356 -0.083 18805 2033 1 7 . 1 1 34 34 PRO C C 34 177.097 177.097 176.411 0.686 18805 2034 1 7 . 1 1 34 34 PRO CA C 34 62.413 62.413 62.734 -0.321 18805 2035 1 7 . 1 1 34 34 PRO CB C 34 30.790 30.790 32.122 -1.332 18805 2036 1 7 . 1 1 35 35 ASP N N 35 124.197 124.197 123.657 0.540 18805 2037 1 7 . 1 1 35 35 ASP HA H 35 4.447 4.447 4.491 -0.044 18805 2038 1 7 . 1 1 35 35 ASP C C 35 175.603 175.603 177.796 -2.193 18805 2039 1 7 . 1 1 35 35 ASP CA C 35 52.685 52.685 53.734 -1.050 18805 2040 1 7 . 1 1 35 35 ASP CB C 35 40.952 40.952 41.864 -0.912 18805 2041 1 7 . 1 1 35 35 ASP H H 35 8.547 8.547 8.141 0.406 18805 2042 1 7 . 1 1 36 36 VAL N N 36 118.006 118.006 119.168 -1.162 18805 2043 1 7 . 1 1 36 36 VAL HA H 36 3.473 3.473 3.758 -0.285 18805 2044 1 7 . 1 1 36 36 VAL C C 36 176.268 176.268 176.842 -0.574 18805 2045 1 7 . 1 1 36 36 VAL CA C 36 66.404 66.404 65.504 0.900 18805 2046 1 7 . 1 1 36 36 VAL CB C 36 31.419 31.419 31.948 -0.529 18805 2047 1 7 . 1 1 36 36 VAL H H 36 8.281 8.281 8.340 -0.059 18805 2048 1 7 . 1 1 37 37 TYR N N 37 121.225 121.225 119.666 1.559 18805 2049 1 7 . 1 1 37 37 TYR HA H 37 4.305 4.305 4.498 -0.193 18805 2050 1 7 . 1 1 37 37 TYR C C 37 178.136 178.136 176.832 1.304 18805 2051 1 7 . 1 1 37 37 TYR CA C 37 60.808 60.808 60.872 -0.064 18805 2052 1 7 . 1 1 37 37 TYR CB C 37 37.392 37.392 38.010 -0.618 18805 2053 1 7 . 1 1 37 37 TYR H H 37 7.423 7.423 8.085 -0.662 18805 2054 1 7 . 1 1 38 38 ALA N N 38 122.550 122.550 120.501 2.049 18805 2055 1 7 . 1 1 38 38 ALA HA H 38 4.071 4.071 3.890 0.181 18805 2056 1 7 . 1 1 38 38 ALA C C 38 182.258 182.258 179.930 2.328 18805 2057 1 7 . 1 1 38 38 ALA CA C 38 54.885 54.885 54.527 0.358 18805 2058 1 7 . 1 1 38 38 ALA CB C 38 18.336 18.336 18.118 0.218 18805 2059 1 7 . 1 1 38 38 ALA H H 38 8.376 8.376 7.867 0.509 18805 2060 1 7 . 1 1 39 39 ARG N N 39 117.400 117.400 118.218 -0.818 18805 2061 1 7 . 1 1 39 39 ARG HA H 39 3.834 3.834 4.019 -0.185 18805 2062 1 7 . 1 1 39 39 ARG C C 39 178.142 178.142 178.815 -0.673 18805 2063 1 7 . 1 1 39 39 ARG CA C 39 60.991 60.991 58.192 2.799 18805 2064 1 7 . 1 1 39 39 ARG CB C 39 31.335 31.335 29.472 1.863 18805 2065 1 7 . 1 1 39 39 ARG H H 39 8.699 8.699 8.102 0.597 18805 2066 1 7 . 1 1 40 40 GLU N N 40 121.231 121.231 120.473 0.758 18805 2067 1 7 . 1 1 40 40 GLU HA H 40 3.943 3.943 3.872 0.071 18805 2068 1 7 . 1 1 40 40 GLU C C 40 179.598 179.598 178.903 0.695 18805 2069 1 7 . 1 1 40 40 GLU CA C 40 59.805 59.805 59.850 -0.045 18805 2070 1 7 . 1 1 40 40 GLU CB C 40 29.508 29.508 29.355 0.153 18805 2071 1 7 . 1 1 40 40 GLU H H 40 8.672 8.672 8.195 0.477 18805 2072 1 7 . 1 1 41 41 GLN N N 41 118.662 118.662 117.366 1.296 18805 2073 1 7 . 1 1 41 41 GLN HA H 41 3.958 3.958 3.987 -0.029 18805 2074 1 7 . 1 1 41 41 GLN C C 41 178.675 178.675 178.541 0.134 18805 2075 1 7 . 1 1 41 41 GLN CA C 41 58.594 58.594 58.293 0.301 18805 2076 1 7 . 1 1 41 41 GLN CB C 41 28.396 28.396 28.288 0.108 18805 2077 1 7 . 1 1 41 41 GLN H H 41 8.264 8.264 7.602 0.662 18805 2078 1 7 . 1 1 42 42 LEU N N 42 121.044 121.044 120.461 0.583 18805 2079 1 7 . 1 1 42 42 LEU HA H 42 4.009 4.009 3.970 0.039 18805 2080 1 7 . 1 1 42 42 LEU C C 42 179.727 179.727 178.141 1.586 18805 2081 1 7 . 1 1 42 42 LEU CA C 42 57.600 57.600 57.105 0.495 18805 2082 1 7 . 1 1 42 42 LEU CB C 42 42.752 42.752 41.291 1.461 18805 2083 1 7 . 1 1 42 42 LEU H H 42 7.909 7.909 7.450 0.459 18805 2084 1 7 . 1 1 43 43 ALA N N 43 124.342 124.342 122.486 1.856 18805 2085 1 7 . 1 1 43 43 ALA HA H 43 3.697 3.697 4.040 -0.343 18805 2086 1 7 . 1 1 43 43 ALA C C 43 179.056 179.056 179.767 -0.711 18805 2087 1 7 . 1 1 43 43 ALA CA C 43 55.561 55.561 54.812 0.749 18805 2088 1 7 . 1 1 43 43 ALA CB C 43 17.186 17.186 18.682 -1.496 18805 2089 1 7 . 1 1 43 43 ALA H H 43 8.647 8.647 8.089 0.558 18805 2090 1 7 . 1 1 44 44 MET N N 44 115.878 115.878 115.503 0.375 18805 2091 1 7 . 1 1 44 44 MET HA H 44 4.262 4.262 4.177 0.085 18805 2092 1 7 . 1 1 44 44 MET C C 44 179.154 179.154 178.236 0.918 18805 2093 1 7 . 1 1 44 44 MET CA C 44 58.569 58.569 58.429 0.140 18805 2094 1 7 . 1 1 44 44 MET CB C 44 32.138 32.138 32.630 -0.492 18805 2095 1 7 . 1 1 44 44 MET H H 44 7.926 7.926 7.622 0.304 18805 2096 1 7 . 1 1 45 45 ARG N N 45 116.503 116.503 116.732 -0.229 18805 2097 1 7 . 1 1 45 45 ARG HA H 45 4.402 4.402 4.238 0.164 18805 2098 1 7 . 1 1 45 45 ARG C C 45 177.591 177.591 178.266 -0.675 18805 2099 1 7 . 1 1 45 45 ARG CA C 45 58.315 58.315 58.054 0.261 18805 2100 1 7 . 1 1 45 45 ARG CB C 45 30.909 30.909 30.345 0.565 18805 2101 1 7 . 1 1 45 45 ARG H H 45 7.903 7.903 7.839 0.064 18805 2102 1 7 . 1 1 46 46 THR N N 46 105.711 105.711 108.234 -2.523 18805 2103 1 7 . 1 1 46 46 THR HA H 46 4.501 4.501 4.363 0.138 18805 2104 1 7 . 1 1 46 46 THR C C 46 174.417 174.417 174.759 -0.342 18805 2105 1 7 . 1 1 46 46 THR CA C 46 61.808 61.808 62.721 -0.913 18805 2106 1 7 . 1 1 46 46 THR CB C 46 70.714 70.714 69.808 0.906 18805 2107 1 7 . 1 1 46 46 THR H H 46 7.662 7.662 7.925 -0.263 18805 2108 1 7 . 1 1 47 47 ASP N N 47 120.391 120.391 118.977 1.414 18805 2109 1 7 . 1 1 47 47 ASP HA H 47 4.472 4.472 4.385 0.087 18805 2110 1 7 . 1 1 47 47 ASP C C 47 174.537 174.537 175.436 -0.899 18805 2111 1 7 . 1 1 47 47 ASP CA C 47 55.933 55.933 55.698 0.235 18805 2112 1 7 . 1 1 47 47 ASP CB C 47 39.565 39.565 40.186 -0.621 18805 2113 1 7 . 1 1 47 47 ASP H H 47 7.922 7.922 8.023 -0.101 18805 2114 1 7 . 1 1 48 48 LEU N N 48 118.406 118.406 118.762 -0.356 18805 2115 1 7 . 1 1 48 48 LEU HA H 48 4.891 4.891 4.488 0.403 18805 2116 1 7 . 1 1 48 48 LEU C C 48 176.180 176.180 176.805 -0.625 18805 2117 1 7 . 1 1 48 48 LEU CA C 48 52.943 52.943 54.860 -1.917 18805 2118 1 7 . 1 1 48 48 LEU CB C 48 46.638 46.638 43.181 3.457 18805 2119 1 7 . 1 1 48 48 LEU H H 48 8.072 8.072 7.480 0.592 18805 2120 1 7 . 1 1 49 49 THR N N 49 106.891 106.891 114.881 -7.990 18805 2121 1 7 . 1 1 49 49 THR HA H 49 4.597 4.597 4.464 0.133 18805 2122 1 7 . 1 1 49 49 THR C C 49 175.667 175.667 175.492 0.175 18805 2123 1 7 . 1 1 49 49 THR CA C 49 59.573 59.573 61.215 -1.642 18805 2124 1 7 . 1 1 49 49 THR CB C 49 71.085 71.085 70.193 0.892 18805 2125 1 7 . 1 1 49 49 THR H H 49 7.071 7.071 8.046 -0.975 18805 2126 1 7 . 1 1 50 50 GLU N N 50 124.013 124.013 126.063 -2.050 18805 2127 1 7 . 1 1 50 50 GLU HA H 50 3.721 3.721 3.929 -0.207 18805 2128 1 7 . 1 1 50 50 GLU C C 50 178.112 178.112 178.255 -0.143 18805 2129 1 7 . 1 1 50 50 GLU CA C 50 60.982 60.982 60.317 0.665 18805 2130 1 7 . 1 1 50 50 GLU CB C 50 28.654 28.654 29.603 -0.949 18805 2131 1 7 . 1 1 50 50 GLU H H 50 9.271 9.271 9.046 0.225 18805 2132 1 7 . 1 1 51 51 ALA N N 51 119.708 119.708 121.021 -1.313 18805 2133 1 7 . 1 1 51 51 ALA HA H 51 4.108 4.108 4.159 -0.051 18805 2134 1 7 . 1 1 51 51 ALA C C 51 180.493 180.493 180.364 0.129 18805 2135 1 7 . 1 1 51 51 ALA CA C 51 55.200 55.200 55.156 0.044 18805 2136 1 7 . 1 1 51 51 ALA CB C 51 18.397 18.397 18.209 0.188 18805 2137 1 7 . 1 1 51 51 ALA H H 51 8.377 8.377 8.541 -0.164 18805 2138 1 7 . 1 1 52 52 ARG N N 52 117.740 117.740 118.938 -1.198 18805 2139 1 7 . 1 1 52 52 ARG HA H 52 4.213 4.213 4.318 -0.105 18805 2140 1 7 . 1 1 52 52 ARG C C 52 179.734 179.734 179.167 0.567 18805 2141 1 7 . 1 1 52 52 ARG CA C 52 59.006 59.006 58.633 0.373 18805 2142 1 7 . 1 1 52 52 ARG CB C 52 30.626 30.626 29.944 0.682 18805 2143 1 7 . 1 1 52 52 ARG H H 52 7.756 7.756 7.785 -0.029 18805 2144 1 7 . 1 1 53 53 VAL N N 53 120.607 120.607 120.420 0.187 18805 2145 1 7 . 1 1 53 53 VAL HA H 53 3.706 3.706 3.763 -0.057 18805 2146 1 7 . 1 1 53 53 VAL C C 53 177.734 177.734 178.248 -0.514 18805 2147 1 7 . 1 1 53 53 VAL CA C 53 67.350 67.350 66.371 0.979 18805 2148 1 7 . 1 1 53 53 VAL CB C 53 31.900 31.900 30.948 0.952 18805 2149 1 7 . 1 1 53 53 VAL H H 53 8.206 8.206 8.065 0.141 18805 2150 1 7 . 1 1 54 54 GLN N N 54 119.441 119.441 120.078 -0.637 18805 2151 1 7 . 1 1 54 54 GLN HA H 54 4.401 4.401 4.215 0.186 18805 2152 1 7 . 1 1 54 54 GLN C C 54 179.055 179.055 179.082 -0.027 18805 2153 1 7 . 1 1 54 54 GLN CA C 54 60.036 60.036 59.121 0.915 18805 2154 1 7 . 1 1 54 54 GLN CB C 54 28.509 28.509 28.491 0.018 18805 2155 1 7 . 1 1 54 54 GLN H H 54 8.747 8.747 8.138 0.609 18805 2156 1 7 . 1 1 55 55 VAL N N 55 119.951 119.951 119.460 0.491 18805 2157 1 7 . 1 1 55 55 VAL HA H 55 3.783 3.783 3.785 -0.002 18805 2158 1 7 . 1 1 55 55 VAL C C 55 177.751 177.751 177.834 -0.083 18805 2159 1 7 . 1 1 55 55 VAL CA C 55 66.575 66.575 66.957 -0.382 18805 2160 1 7 . 1 1 55 55 VAL CB C 55 32.017 32.017 31.397 0.620 18805 2161 1 7 . 1 1 55 55 VAL H H 55 7.973 7.973 7.942 0.031 18805 2162 1 7 . 1 1 56 56 TRP N N 56 121.386 121.386 121.907 -0.521 18805 2163 1 7 . 1 1 56 56 TRP HA H 56 4.075 4.075 4.166 -0.091 18805 2164 1 7 . 1 1 56 56 TRP C C 56 179.849 179.849 178.034 1.815 18805 2165 1 7 . 1 1 56 56 TRP CA C 56 63.249 63.249 61.794 1.455 18805 2166 1 7 . 1 1 56 56 TRP CB C 56 28.266 28.266 29.279 -1.014 18805 2167 1 7 . 1 1 56 56 TRP H H 56 8.351 8.351 7.799 0.552 18805 2168 1 7 . 1 1 57 57 PHE N N 57 118.444 118.444 117.096 1.348 18805 2169 1 7 . 1 1 57 57 PHE HA H 57 3.629 3.629 3.958 -0.329 18805 2170 1 7 . 1 1 57 57 PHE C C 57 178.058 178.058 178.191 -0.133 18805 2171 1 7 . 1 1 57 57 PHE CA C 57 63.831 63.831 62.123 1.708 18805 2172 1 7 . 1 1 57 57 PHE CB C 57 39.161 39.161 38.869 0.292 18805 2173 1 7 . 1 1 57 57 PHE H H 57 8.924 8.924 8.094 0.830 18805 2174 1 7 . 1 1 58 58 GLN N N 58 119.552 119.552 118.653 0.899 18805 2175 1 7 . 1 1 58 58 GLN HA H 58 3.958 3.958 4.035 -0.077 18805 2176 1 7 . 1 1 58 58 GLN C C 58 179.475 179.475 178.782 0.693 18805 2177 1 7 . 1 1 58 58 GLN CA C 58 59.730 59.730 58.922 0.808 18805 2178 1 7 . 1 1 58 58 GLN CB C 58 28.108 28.108 28.078 0.030 18805 2179 1 7 . 1 1 58 58 GLN H H 58 8.322 8.322 7.998 0.324 18805 2180 1 7 . 1 1 59 59 ASN N N 59 119.095 119.095 118.618 0.477 18805 2181 1 7 . 1 1 59 59 ASN HA H 59 4.344 4.344 4.381 -0.037 18805 2182 1 7 . 1 1 59 59 ASN C C 59 177.212 177.212 177.644 -0.432 18805 2183 1 7 . 1 1 59 59 ASN CA C 59 55.536 55.536 56.051 -0.515 18805 2184 1 7 . 1 1 59 59 ASN CB C 59 37.920 37.920 38.297 -0.377 18805 2185 1 7 . 1 1 59 59 ASN H H 59 8.158 8.158 7.940 0.218 18805 2186 1 7 . 1 1 60 60 ARG N N 60 124.480 124.480 120.888 3.592 18805 2187 1 7 . 1 1 60 60 ARG HA H 60 3.383 3.383 3.657 -0.274 18805 2188 1 7 . 1 1 60 60 ARG C C 60 179.622 179.622 178.513 1.109 18805 2189 1 7 . 1 1 60 60 ARG CA C 60 56.532 56.532 58.101 -1.569 18805 2190 1 7 . 1 1 60 60 ARG CB C 60 27.904 27.904 29.145 -1.240 18805 2191 1 7 . 1 1 60 60 ARG H H 60 8.494 8.494 7.894 0.600 18805 2192 1 7 . 1 1 61 61 ARG N N 61 118.870 118.870 118.662 0.208 18805 2193 1 7 . 1 1 61 61 ARG HA H 61 3.946 3.946 4.360 -0.414 18805 2194 1 7 . 1 1 61 61 ARG C C 61 178.392 178.392 178.630 -0.238 18805 2195 1 7 . 1 1 61 61 ARG CA C 61 60.599 60.599 59.004 1.595 18805 2196 1 7 . 1 1 61 61 ARG CB C 61 31.546 31.546 30.193 1.353 18805 2197 1 7 . 1 1 61 61 ARG H H 61 8.310 8.310 7.989 0.321 18805 2198 1 7 . 1 1 62 62 ALA N N 62 121.373 121.373 123.029 -1.656 18805 2199 1 7 . 1 1 62 62 ALA HA H 62 4.163 4.163 4.465 -0.302 18805 2200 1 7 . 1 1 62 62 ALA C C 62 179.899 179.899 178.253 1.646 18805 2201 1 7 . 1 1 62 62 ALA CA C 62 55.109 55.109 54.678 0.431 18805 2202 1 7 . 1 1 62 62 ALA CB C 62 17.754 17.754 18.665 -0.910 18805 2203 1 7 . 1 1 62 62 ALA H H 62 7.382 7.382 7.619 -0.237 18805 2204 1 7 . 1 1 63 63 LYS N N 63 118.540 118.540 116.255 2.285 18805 2205 1 7 . 1 1 63 63 LYS HA H 63 3.986 3.986 4.120 -0.134 18805 2206 1 7 . 1 1 63 63 LYS C C 63 178.259 178.259 178.100 0.159 18805 2207 1 7 . 1 1 63 63 LYS CA C 63 58.727 58.727 58.461 0.266 18805 2208 1 7 . 1 1 63 63 LYS CB C 63 32.634 32.634 32.393 0.241 18805 2209 1 7 . 1 1 63 63 LYS H H 63 7.573 7.573 7.665 -0.092 18805 2210 1 7 . 1 1 64 64 TRP N N 64 121.094 121.094 120.860 0.234 18805 2211 1 7 . 1 1 64 64 TRP HA H 64 4.436 4.436 4.411 0.025 18805 2212 1 7 . 1 1 64 64 TRP C C 64 177.662 177.662 175.903 1.759 18805 2213 1 7 . 1 1 64 64 TRP CA C 64 60.130 60.130 59.459 0.671 18805 2214 1 7 . 1 1 64 64 TRP CB C 64 29.138 29.138 30.364 -1.226 18805 2215 1 7 . 1 1 64 64 TRP H H 64 8.032 8.032 7.496 0.536 18805 2216 1 7 . 1 1 65 65 ARG N N 65 118.674 118.674 119.525 -0.851 18805 2217 1 7 . 1 1 65 65 ARG HA H 65 3.783 3.783 4.113 -0.330 18805 2218 1 7 . 1 1 65 65 ARG C C 65 177.342 177.342 176.171 1.171 18805 2219 1 7 . 1 1 65 65 ARG CA C 65 58.290 58.290 56.084 2.206 18805 2220 1 7 . 1 1 65 65 ARG CB C 65 30.580 30.580 30.051 0.529 18805 2221 1 7 . 1 1 65 65 ARG H H 65 8.232 8.232 7.943 0.289 18805 2222 1 7 . 1 1 66 66 LYS N N 66 118.567 118.567 126.099 -7.532 18805 2223 1 7 . 1 1 66 66 LYS HA H 66 4.122 4.122 4.154 -0.032 18805 2224 1 7 . 1 1 66 66 LYS C C 66 177.060 177.060 176.590 0.470 18805 2225 1 7 . 1 1 66 66 LYS CA C 66 57.389 57.389 57.416 -0.027 18805 2226 1 7 . 1 1 66 66 LYS CB C 66 32.659 32.659 32.419 0.240 18805 2227 1 7 . 1 1 66 66 LYS H H 66 7.591 7.591 8.414 -0.823 18805 2228 1 7 . 1 1 67 67 ARG N N 67 119.185 119.185 118.534 0.651 18805 2229 1 7 . 1 1 67 67 ARG HA H 67 4.183 4.183 4.072 0.111 18805 2230 1 7 . 1 1 67 67 ARG C C 67 176.830 176.830 176.144 0.686 18805 2231 1 7 . 1 1 67 67 ARG CA C 67 56.879 56.879 56.736 0.143 18805 2232 1 7 . 1 1 67 67 ARG CB C 67 30.226 30.226 27.750 2.476 18805 2233 1 7 . 1 1 67 67 ARG H H 67 7.722 7.722 8.614 -0.892 18805 2234 1 7 . 1 1 68 68 GLU N N 68 120.614 120.614 120.505 0.109 18805 2235 1 7 . 1 1 68 68 GLU HA H 68 4.087 4.087 4.292 -0.205 18805 2236 1 7 . 1 1 68 68 GLU C C 68 176.803 176.803 176.767 0.036 18805 2237 1 7 . 1 1 68 68 GLU CA C 68 57.076 57.076 56.754 0.322 18805 2238 1 7 . 1 1 68 68 GLU CB C 68 30.099 30.099 31.083 -0.984 18805 2239 1 7 . 1 1 68 68 GLU H H 68 8.157 8.157 7.947 0.210 18805 2240 1 7 . 1 1 69 69 ARG N N 69 120.012 120.012 124.081 -4.069 18805 2241 1 7 . 1 1 69 69 ARG C C 69 176.270 176.270 174.050 2.220 18805 2242 1 7 . 1 1 69 69 ARG CA C 69 66.543 66.543 56.783 9.760 18805 2243 1 7 . 1 1 69 69 ARG CB C 69 32.203 32.203 29.953 2.249 18805 2244 1 7 . 1 1 69 69 ARG H H 69 7.974 7.974 8.913 -0.939 18805 2245 1 7 . 1 1 70 70 PHE HA H 70 4.577 4.577 4.864 -0.287 18805 2246 1 7 . 1 1 70 70 PHE CA C 70 58.021 58.021 55.496 2.525 18805 2247 1 7 . 1 1 70 70 PHE CB C 70 39.295 39.295 40.376 -1.081 18805 2248 1 8 . 1 1 16 16 PHE HA H 16 5.000 5.000 4.784 0.216 18805 2249 1 8 . 1 1 16 16 PHE C C 16 176.744 176.744 177.243 -0.499 18805 2250 1 8 . 1 1 16 16 PHE CA C 16 57.425 57.425 56.986 0.439 18805 2251 1 8 . 1 1 16 16 PHE CB C 16 41.475 41.475 39.162 2.313 18805 2252 1 8 . 1 1 16 16 PHE H H 16 9.114 9.114 7.465 1.649 18805 2253 1 8 . 1 1 17 17 THR N N 17 113.394 113.394 116.878 -3.484 18805 2254 1 8 . 1 1 17 17 THR HA H 17 4.552 4.552 4.294 0.258 18805 2255 1 8 . 1 1 17 17 THR C C 17 175.352 175.352 175.040 0.312 18805 2256 1 8 . 1 1 17 17 THR CA C 17 60.392 60.392 63.895 -3.502 18805 2257 1 8 . 1 1 17 17 THR CB C 17 71.013 71.013 69.743 1.270 18805 2258 1 8 . 1 1 17 17 THR H H 17 9.106 9.106 8.837 0.269 18805 2259 1 8 . 1 1 18 18 SER HA H 18 4.146 4.146 4.542 -0.396 18805 2260 1 8 . 1 1 18 18 SER C C 18 176.860 176.860 175.329 1.531 18805 2261 1 8 . 1 1 18 18 SER CA C 18 62.173 62.173 59.128 3.045 18805 2262 1 8 . 1 1 18 18 SER CB C 18 62.172 62.172 62.792 -0.620 18805 2263 1 8 . 1 1 19 19 TYR N N 19 121.561 121.561 125.048 -3.487 18805 2264 1 8 . 1 1 19 19 TYR HA H 19 4.340 4.340 4.192 0.148 18805 2265 1 8 . 1 1 19 19 TYR C C 19 176.860 176.860 177.075 -0.215 18805 2266 1 8 . 1 1 19 19 TYR CA C 19 60.736 60.736 61.576 -0.840 18805 2267 1 8 . 1 1 19 19 TYR CB C 19 38.557 38.557 38.610 -0.053 18805 2268 1 8 . 1 1 19 19 TYR H H 19 8.145 8.145 8.541 -0.396 18805 2269 1 8 . 1 1 20 20 GLN N N 20 116.967 116.967 118.139 -1.172 18805 2270 1 8 . 1 1 20 20 GLN HA H 20 3.359 3.359 3.752 -0.393 18805 2271 1 8 . 1 1 20 20 GLN C C 20 177.344 177.344 177.784 -0.440 18805 2272 1 8 . 1 1 20 20 GLN CA C 20 59.633 59.633 59.613 0.020 18805 2273 1 8 . 1 1 20 20 GLN CB C 20 27.866 27.866 28.509 -0.643 18805 2274 1 8 . 1 1 20 20 GLN H H 20 7.545 7.545 7.861 -0.316 18805 2275 1 8 . 1 1 21 21 LEU N N 21 115.751 115.751 118.865 -3.114 18805 2276 1 8 . 1 1 21 21 LEU HA H 21 3.532 3.532 3.725 -0.193 18805 2277 1 8 . 1 1 21 21 LEU C C 21 178.858 178.858 179.125 -0.267 18805 2278 1 8 . 1 1 21 21 LEU CA C 21 57.774 57.774 57.251 0.523 18805 2279 1 8 . 1 1 21 21 LEU CB C 21 41.660 41.660 41.145 0.515 18805 2280 1 8 . 1 1 21 21 LEU H H 21 8.116 8.116 7.906 0.210 18805 2281 1 8 . 1 1 22 22 GLU N N 22 118.939 118.939 119.870 -0.931 18805 2282 1 8 . 1 1 22 22 GLU HA H 22 3.876 3.876 3.895 -0.019 18805 2283 1 8 . 1 1 22 22 GLU C C 22 179.617 179.617 179.178 0.439 18805 2284 1 8 . 1 1 22 22 GLU CA C 22 59.244 59.244 59.503 -0.259 18805 2285 1 8 . 1 1 22 22 GLU CB C 22 29.454 29.454 29.006 0.448 18805 2286 1 8 . 1 1 22 22 GLU H H 22 8.108 8.108 8.040 0.068 18805 2287 1 8 . 1 1 23 23 GLU N N 23 117.643 117.643 119.113 -1.470 18805 2288 1 8 . 1 1 23 23 GLU HA H 23 3.699 3.699 3.943 -0.244 18805 2289 1 8 . 1 1 23 23 GLU C C 23 179.328 179.328 179.119 0.209 18805 2290 1 8 . 1 1 23 23 GLU CA C 23 58.616 58.616 58.520 0.096 18805 2291 1 8 . 1 1 23 23 GLU CB C 23 29.191 29.191 29.201 -0.010 18805 2292 1 8 . 1 1 23 23 GLU H H 23 7.631 7.631 7.533 0.098 18805 2293 1 8 . 1 1 24 24 LEU N N 24 122.218 122.218 119.918 2.300 18805 2294 1 8 . 1 1 24 24 LEU HA H 24 3.490 3.490 3.548 -0.058 18805 2295 1 8 . 1 1 24 24 LEU C C 24 177.731 177.731 178.830 -1.099 18805 2296 1 8 . 1 1 24 24 LEU CA C 24 58.732 58.732 58.169 0.563 18805 2297 1 8 . 1 1 24 24 LEU CB C 24 38.207 38.207 40.504 -2.297 18805 2298 1 8 . 1 1 24 24 LEU H H 24 7.995 7.995 7.952 0.043 18805 2299 1 8 . 1 1 25 25 GLU N N 25 118.406 118.406 117.815 0.591 18805 2300 1 8 . 1 1 25 25 GLU HA H 25 4.278 4.278 4.172 0.106 18805 2301 1 8 . 1 1 25 25 GLU C C 25 179.059 179.059 179.060 -0.001 18805 2302 1 8 . 1 1 25 25 GLU CA C 25 58.612 58.612 59.426 -0.814 18805 2303 1 8 . 1 1 25 25 GLU CB C 25 28.957 28.957 29.167 -0.210 18805 2304 1 8 . 1 1 25 25 GLU H H 25 7.833 7.833 7.634 0.199 18805 2305 1 8 . 1 1 26 26 LYS N N 26 118.033 118.033 120.497 -2.464 18805 2306 1 8 . 1 1 26 26 LYS HA H 26 3.978 3.978 4.088 -0.110 18805 2307 1 8 . 1 1 26 26 LYS C C 26 180.388 180.388 179.445 0.943 18805 2308 1 8 . 1 1 26 26 LYS CA C 26 59.919 59.919 59.363 0.556 18805 2309 1 8 . 1 1 26 26 LYS CB C 26 32.821 32.821 32.441 0.380 18805 2310 1 8 . 1 1 26 26 LYS H H 26 7.795 7.795 7.786 0.009 18805 2311 1 8 . 1 1 27 27 VAL N N 27 118.207 118.207 119.453 -1.246 18805 2312 1 8 . 1 1 27 27 VAL HA H 27 3.853 3.853 3.674 0.179 18805 2313 1 8 . 1 1 27 27 VAL C C 27 177.057 177.057 177.779 -0.722 18805 2314 1 8 . 1 1 27 27 VAL CA C 27 66.944 66.944 66.151 0.793 18805 2315 1 8 . 1 1 27 27 VAL CB C 27 31.034 31.034 31.872 -0.838 18805 2316 1 8 . 1 1 27 27 VAL H H 27 7.316 7.316 8.120 -0.804 18805 2317 1 8 . 1 1 28 28 PHE N N 28 122.791 122.791 120.661 2.130 18805 2318 1 8 . 1 1 28 28 PHE HA H 28 4.744 4.744 4.824 -0.080 18805 2319 1 8 . 1 1 28 28 PHE C C 28 175.721 175.721 177.068 -1.347 18805 2320 1 8 . 1 1 28 28 PHE CA C 28 61.452 61.452 60.513 0.939 18805 2321 1 8 . 1 1 28 28 PHE CB C 28 38.872 38.872 39.414 -0.542 18805 2322 1 8 . 1 1 28 28 PHE H H 28 8.540 8.540 7.839 0.701 18805 2323 1 8 . 1 1 29 29 GLN N N 29 112.048 112.048 117.213 -5.165 18805 2324 1 8 . 1 1 29 29 GLN HA H 29 3.843 3.843 3.974 -0.131 18805 2325 1 8 . 1 1 29 29 GLN C C 29 177.467 177.467 177.512 -0.045 18805 2326 1 8 . 1 1 29 29 GLN CA C 29 57.595 57.595 57.415 0.180 18805 2327 1 8 . 1 1 29 29 GLN CB C 29 28.204 28.204 28.477 -0.272 18805 2328 1 8 . 1 1 29 29 GLN H H 29 8.129 8.129 8.227 -0.098 18805 2329 1 8 . 1 1 30 30 LYS N N 30 118.854 118.854 118.731 0.123 18805 2330 1 8 . 1 1 30 30 LYS HA H 30 4.260 4.260 4.162 0.098 18805 2331 1 8 . 1 1 30 30 LYS C C 30 176.920 176.920 176.554 0.366 18805 2332 1 8 . 1 1 30 30 LYS CA C 30 57.449 57.449 57.676 -0.227 18805 2333 1 8 . 1 1 30 30 LYS CB C 30 33.450 33.450 33.650 -0.200 18805 2334 1 8 . 1 1 30 30 LYS H H 30 7.599 7.599 7.531 0.068 18805 2335 1 8 . 1 1 31 31 THR N N 31 115.210 115.210 110.994 4.216 18805 2336 1 8 . 1 1 31 31 THR HA H 31 4.279 4.279 4.253 0.026 18805 2337 1 8 . 1 1 31 31 THR C C 31 171.092 171.092 173.392 -2.300 18805 2338 1 8 . 1 1 31 31 THR CA C 31 59.113 59.113 61.025 -1.912 18805 2339 1 8 . 1 1 31 31 THR CB C 31 69.375 69.375 69.970 -0.595 18805 2340 1 8 . 1 1 31 31 THR H H 31 8.840 8.840 7.821 1.019 18805 2341 1 8 . 1 1 32 32 HIS N N 32 123.048 123.048 123.426 -0.378 18805 2342 1 8 . 1 1 32 32 HIS HA H 32 4.343 4.343 4.075 0.268 18805 2343 1 8 . 1 1 32 32 HIS C C 32 174.598 174.598 174.274 0.324 18805 2344 1 8 . 1 1 32 32 HIS CA C 32 55.323 55.323 57.478 -2.155 18805 2345 1 8 . 1 1 32 32 HIS CB C 32 30.975 30.975 29.512 1.463 18805 2346 1 8 . 1 1 32 32 HIS H H 32 8.342 8.342 8.406 -0.064 18805 2347 1 8 . 1 1 33 33 TYR N N 33 114.650 114.650 119.257 -4.607 18805 2348 1 8 . 1 1 33 33 TYR HA H 33 4.703 4.703 4.747 -0.044 18805 2349 1 8 . 1 1 33 33 TYR C C 33 172.558 172.558 173.737 -1.179 18805 2350 1 8 . 1 1 33 33 TYR CA C 33 55.146 55.146 54.266 0.880 18805 2351 1 8 . 1 1 33 33 TYR CB C 33 38.868 38.868 39.249 -0.381 18805 2352 1 8 . 1 1 33 33 TYR H H 33 8.109 8.109 7.568 0.541 18805 2353 1 8 . 1 1 34 34 PRO HA H 34 4.273 4.273 4.440 -0.167 18805 2354 1 8 . 1 1 34 34 PRO C C 34 177.097 177.097 175.753 1.344 18805 2355 1 8 . 1 1 34 34 PRO CA C 34 62.413 62.413 62.597 -0.184 18805 2356 1 8 . 1 1 34 34 PRO CB C 34 30.790 30.790 31.062 -0.272 18805 2357 1 8 . 1 1 35 35 ASP N N 35 124.197 124.197 123.710 0.487 18805 2358 1 8 . 1 1 35 35 ASP HA H 35 4.447 4.447 4.455 -0.008 18805 2359 1 8 . 1 1 35 35 ASP C C 35 175.603 175.603 178.006 -2.403 18805 2360 1 8 . 1 1 35 35 ASP CA C 35 52.685 52.685 54.017 -1.332 18805 2361 1 8 . 1 1 35 35 ASP CB C 35 40.952 40.952 42.590 -1.638 18805 2362 1 8 . 1 1 35 35 ASP H H 35 8.547 8.547 7.792 0.755 18805 2363 1 8 . 1 1 36 36 VAL N N 36 118.006 118.006 120.494 -2.488 18805 2364 1 8 . 1 1 36 36 VAL HA H 36 3.473 3.473 3.777 -0.304 18805 2365 1 8 . 1 1 36 36 VAL C C 36 176.268 176.268 176.918 -0.650 18805 2366 1 8 . 1 1 36 36 VAL CA C 36 66.404 66.404 65.690 0.714 18805 2367 1 8 . 1 1 36 36 VAL CB C 36 31.419 31.419 31.874 -0.455 18805 2368 1 8 . 1 1 36 36 VAL H H 36 8.281 8.281 8.552 -0.271 18805 2369 1 8 . 1 1 37 37 TYR N N 37 121.225 121.225 119.929 1.296 18805 2370 1 8 . 1 1 37 37 TYR HA H 37 4.305 4.305 4.213 0.092 18805 2371 1 8 . 1 1 37 37 TYR C C 37 178.136 178.136 176.244 1.892 18805 2372 1 8 . 1 1 37 37 TYR CA C 37 60.808 60.808 61.093 -0.285 18805 2373 1 8 . 1 1 37 37 TYR CB C 37 37.392 37.392 37.948 -0.556 18805 2374 1 8 . 1 1 37 37 TYR H H 37 7.423 7.423 8.437 -1.014 18805 2375 1 8 . 1 1 38 38 ALA N N 38 122.550 122.550 121.853 0.697 18805 2376 1 8 . 1 1 38 38 ALA HA H 38 4.071 4.071 3.993 0.078 18805 2377 1 8 . 1 1 38 38 ALA C C 38 182.258 182.258 179.974 2.284 18805 2378 1 8 . 1 1 38 38 ALA CA C 38 54.885 54.885 54.625 0.260 18805 2379 1 8 . 1 1 38 38 ALA CB C 38 18.336 18.336 17.898 0.438 18805 2380 1 8 . 1 1 38 38 ALA H H 38 8.376 8.376 7.811 0.565 18805 2381 1 8 . 1 1 39 39 ARG N N 39 117.400 117.400 118.459 -1.059 18805 2382 1 8 . 1 1 39 39 ARG HA H 39 3.834 3.834 3.994 -0.160 18805 2383 1 8 . 1 1 39 39 ARG C C 39 178.142 178.142 178.918 -0.776 18805 2384 1 8 . 1 1 39 39 ARG CA C 39 60.991 60.991 58.684 2.307 18805 2385 1 8 . 1 1 39 39 ARG CB C 39 31.335 31.335 29.463 1.872 18805 2386 1 8 . 1 1 39 39 ARG H H 39 8.699 8.699 8.129 0.570 18805 2387 1 8 . 1 1 40 40 GLU N N 40 121.231 121.231 119.469 1.762 18805 2388 1 8 . 1 1 40 40 GLU HA H 40 3.943 3.943 4.008 -0.065 18805 2389 1 8 . 1 1 40 40 GLU C C 40 179.598 179.598 179.161 0.437 18805 2390 1 8 . 1 1 40 40 GLU CA C 40 59.805 59.805 59.072 0.733 18805 2391 1 8 . 1 1 40 40 GLU CB C 40 29.508 29.508 28.834 0.674 18805 2392 1 8 . 1 1 40 40 GLU H H 40 8.672 8.672 7.485 1.187 18805 2393 1 8 . 1 1 41 41 GLN N N 41 118.662 118.662 118.054 0.608 18805 2394 1 8 . 1 1 41 41 GLN HA H 41 3.958 3.958 3.949 0.009 18805 2395 1 8 . 1 1 41 41 GLN C C 41 178.675 178.675 178.460 0.215 18805 2396 1 8 . 1 1 41 41 GLN CA C 41 58.594 58.594 58.206 0.388 18805 2397 1 8 . 1 1 41 41 GLN CB C 41 28.396 28.396 28.232 0.164 18805 2398 1 8 . 1 1 41 41 GLN H H 41 8.264 8.264 7.598 0.666 18805 2399 1 8 . 1 1 42 42 LEU N N 42 121.044 121.044 120.422 0.622 18805 2400 1 8 . 1 1 42 42 LEU HA H 42 4.009 4.009 4.015 -0.006 18805 2401 1 8 . 1 1 42 42 LEU C C 42 179.727 179.727 178.684 1.043 18805 2402 1 8 . 1 1 42 42 LEU CA C 42 57.600 57.600 57.125 0.475 18805 2403 1 8 . 1 1 42 42 LEU CB C 42 42.752 42.752 41.442 1.310 18805 2404 1 8 . 1 1 42 42 LEU H H 42 7.909 7.909 7.780 0.129 18805 2405 1 8 . 1 1 43 43 ALA N N 43 124.342 124.342 122.544 1.798 18805 2406 1 8 . 1 1 43 43 ALA HA H 43 3.697 3.697 4.160 -0.463 18805 2407 1 8 . 1 1 43 43 ALA C C 43 179.056 179.056 179.772 -0.716 18805 2408 1 8 . 1 1 43 43 ALA CA C 43 55.561 55.561 54.872 0.689 18805 2409 1 8 . 1 1 43 43 ALA CB C 43 17.186 17.186 18.632 -1.446 18805 2410 1 8 . 1 1 43 43 ALA H H 43 8.647 8.647 7.882 0.765 18805 2411 1 8 . 1 1 44 44 MET N N 44 115.878 115.878 115.358 0.520 18805 2412 1 8 . 1 1 44 44 MET HA H 44 4.262 4.262 4.278 -0.016 18805 2413 1 8 . 1 1 44 44 MET C C 44 179.154 179.154 178.434 0.720 18805 2414 1 8 . 1 1 44 44 MET CA C 44 58.569 58.569 56.450 2.119 18805 2415 1 8 . 1 1 44 44 MET CB C 44 32.138 32.138 31.464 0.674 18805 2416 1 8 . 1 1 44 44 MET H H 44 7.926 7.926 7.773 0.153 18805 2417 1 8 . 1 1 45 45 ARG N N 45 116.503 116.503 119.397 -2.894 18805 2418 1 8 . 1 1 45 45 ARG HA H 45 4.402 4.402 4.347 0.055 18805 2419 1 8 . 1 1 45 45 ARG C C 45 177.591 177.591 178.575 -0.984 18805 2420 1 8 . 1 1 45 45 ARG CA C 45 58.315 58.315 58.344 -0.029 18805 2421 1 8 . 1 1 45 45 ARG CB C 45 30.909 30.909 30.130 0.779 18805 2422 1 8 . 1 1 45 45 ARG H H 45 7.903 7.903 7.987 -0.084 18805 2423 1 8 . 1 1 46 46 THR N N 46 105.711 105.711 109.036 -3.325 18805 2424 1 8 . 1 1 46 46 THR HA H 46 4.501 4.501 4.463 0.038 18805 2425 1 8 . 1 1 46 46 THR C C 46 174.417 174.417 174.791 -0.374 18805 2426 1 8 . 1 1 46 46 THR CA C 46 61.808 61.808 62.717 -0.909 18805 2427 1 8 . 1 1 46 46 THR CB C 46 70.714 70.714 70.105 0.609 18805 2428 1 8 . 1 1 46 46 THR H H 46 7.662 7.662 8.006 -0.344 18805 2429 1 8 . 1 1 47 47 ASP N N 47 120.391 120.391 118.646 1.745 18805 2430 1 8 . 1 1 47 47 ASP HA H 47 4.472 4.472 4.325 0.147 18805 2431 1 8 . 1 1 47 47 ASP C C 47 174.537 174.537 174.878 -0.341 18805 2432 1 8 . 1 1 47 47 ASP CA C 47 55.933 55.933 55.720 0.213 18805 2433 1 8 . 1 1 47 47 ASP CB C 47 39.565 39.565 39.212 0.353 18805 2434 1 8 . 1 1 47 47 ASP H H 47 7.922 7.922 8.167 -0.245 18805 2435 1 8 . 1 1 48 48 LEU N N 48 118.406 118.406 120.153 -1.747 18805 2436 1 8 . 1 1 48 48 LEU HA H 48 4.891 4.891 4.594 0.297 18805 2437 1 8 . 1 1 48 48 LEU C C 48 176.180 176.180 177.091 -0.911 18805 2438 1 8 . 1 1 48 48 LEU CA C 48 52.943 52.943 54.517 -1.574 18805 2439 1 8 . 1 1 48 48 LEU CB C 48 46.638 46.638 43.162 3.476 18805 2440 1 8 . 1 1 48 48 LEU H H 48 8.072 8.072 7.457 0.615 18805 2441 1 8 . 1 1 49 49 THR N N 49 106.891 106.891 113.699 -6.808 18805 2442 1 8 . 1 1 49 49 THR HA H 49 4.597 4.597 4.272 0.325 18805 2443 1 8 . 1 1 49 49 THR C C 49 175.667 175.667 175.725 -0.058 18805 2444 1 8 . 1 1 49 49 THR CA C 49 59.573 59.573 61.072 -1.499 18805 2445 1 8 . 1 1 49 49 THR CB C 49 71.085 71.085 70.091 0.994 18805 2446 1 8 . 1 1 49 49 THR H H 49 7.071 7.071 8.264 -1.193 18805 2447 1 8 . 1 1 50 50 GLU N N 50 124.013 124.013 121.576 2.437 18805 2448 1 8 . 1 1 50 50 GLU HA H 50 3.721 3.721 3.920 -0.199 18805 2449 1 8 . 1 1 50 50 GLU C C 50 178.112 178.112 178.433 -0.321 18805 2450 1 8 . 1 1 50 50 GLU CA C 50 60.982 60.982 60.097 0.885 18805 2451 1 8 . 1 1 50 50 GLU CB C 50 28.654 28.654 29.278 -0.624 18805 2452 1 8 . 1 1 50 50 GLU H H 50 9.271 9.271 8.930 0.341 18805 2453 1 8 . 1 1 51 51 ALA N N 51 119.708 119.708 120.504 -0.796 18805 2454 1 8 . 1 1 51 51 ALA HA H 51 4.108 4.108 4.404 -0.296 18805 2455 1 8 . 1 1 51 51 ALA C C 51 180.493 180.493 180.368 0.125 18805 2456 1 8 . 1 1 51 51 ALA CA C 51 55.200 55.200 54.917 0.283 18805 2457 1 8 . 1 1 51 51 ALA CB C 51 18.397 18.397 18.354 0.043 18805 2458 1 8 . 1 1 51 51 ALA H H 51 8.377 8.377 8.402 -0.025 18805 2459 1 8 . 1 1 52 52 ARG N N 52 117.740 117.740 117.736 0.004 18805 2460 1 8 . 1 1 52 52 ARG HA H 52 4.213 4.213 4.218 -0.005 18805 2461 1 8 . 1 1 52 52 ARG C C 52 179.734 179.734 178.965 0.769 18805 2462 1 8 . 1 1 52 52 ARG CA C 52 59.006 59.006 58.708 0.298 18805 2463 1 8 . 1 1 52 52 ARG CB C 52 30.626 30.626 29.850 0.776 18805 2464 1 8 . 1 1 52 52 ARG H H 52 7.756 7.756 7.541 0.215 18805 2465 1 8 . 1 1 53 53 VAL N N 53 120.607 120.607 120.338 0.269 18805 2466 1 8 . 1 1 53 53 VAL HA H 53 3.706 3.706 3.876 -0.170 18805 2467 1 8 . 1 1 53 53 VAL C C 53 177.734 177.734 178.442 -0.708 18805 2468 1 8 . 1 1 53 53 VAL CA C 53 67.350 67.350 66.329 1.022 18805 2469 1 8 . 1 1 53 53 VAL CB C 53 31.900 31.900 31.081 0.819 18805 2470 1 8 . 1 1 53 53 VAL H H 53 8.206 8.206 8.060 0.146 18805 2471 1 8 . 1 1 54 54 GLN N N 54 119.441 119.441 119.573 -0.132 18805 2472 1 8 . 1 1 54 54 GLN HA H 54 4.401 4.401 4.036 0.365 18805 2473 1 8 . 1 1 54 54 GLN C C 54 179.055 179.055 178.911 0.144 18805 2474 1 8 . 1 1 54 54 GLN CA C 54 60.036 60.036 59.504 0.532 18805 2475 1 8 . 1 1 54 54 GLN CB C 54 28.509 28.509 28.893 -0.384 18805 2476 1 8 . 1 1 54 54 GLN H H 54 8.747 8.747 8.295 0.452 18805 2477 1 8 . 1 1 55 55 VAL N N 55 119.951 119.951 119.823 0.128 18805 2478 1 8 . 1 1 55 55 VAL HA H 55 3.783 3.783 3.804 -0.021 18805 2479 1 8 . 1 1 55 55 VAL C C 55 177.751 177.751 177.885 -0.134 18805 2480 1 8 . 1 1 55 55 VAL CA C 55 66.575 66.575 67.515 -0.940 18805 2481 1 8 . 1 1 55 55 VAL CB C 55 32.017 32.017 31.596 0.421 18805 2482 1 8 . 1 1 55 55 VAL H H 55 7.973 7.973 8.157 -0.184 18805 2483 1 8 . 1 1 56 56 TRP N N 56 121.386 121.386 121.476 -0.090 18805 2484 1 8 . 1 1 56 56 TRP HA H 56 4.075 4.075 4.170 -0.095 18805 2485 1 8 . 1 1 56 56 TRP C C 56 179.849 179.849 178.177 1.672 18805 2486 1 8 . 1 1 56 56 TRP CA C 56 63.249 63.249 61.757 1.492 18805 2487 1 8 . 1 1 56 56 TRP CB C 56 28.266 28.266 29.506 -1.240 18805 2488 1 8 . 1 1 56 56 TRP H H 56 8.351 8.351 7.901 0.451 18805 2489 1 8 . 1 1 57 57 PHE N N 57 118.444 118.444 116.799 1.645 18805 2490 1 8 . 1 1 57 57 PHE HA H 57 3.629 3.629 3.983 -0.354 18805 2491 1 8 . 1 1 57 57 PHE C C 57 178.058 178.058 178.151 -0.093 18805 2492 1 8 . 1 1 57 57 PHE CA C 57 63.831 63.831 62.205 1.627 18805 2493 1 8 . 1 1 57 57 PHE CB C 57 39.161 39.161 38.895 0.266 18805 2494 1 8 . 1 1 57 57 PHE H H 57 8.924 8.924 8.109 0.815 18805 2495 1 8 . 1 1 58 58 GLN N N 58 119.552 119.552 119.759 -0.207 18805 2496 1 8 . 1 1 58 58 GLN HA H 58 3.958 3.958 3.988 -0.030 18805 2497 1 8 . 1 1 58 58 GLN C C 58 179.475 179.475 178.402 1.073 18805 2498 1 8 . 1 1 58 58 GLN CA C 58 59.730 59.730 59.553 0.177 18805 2499 1 8 . 1 1 58 58 GLN CB C 58 28.108 28.108 28.552 -0.444 18805 2500 1 8 . 1 1 58 58 GLN H H 58 8.322 8.322 8.376 -0.054 18805 2501 1 8 . 1 1 59 59 ASN N N 59 119.095 119.095 118.661 0.434 18805 2502 1 8 . 1 1 59 59 ASN HA H 59 4.344 4.344 4.362 -0.018 18805 2503 1 8 . 1 1 59 59 ASN C C 59 177.212 177.212 177.486 -0.274 18805 2504 1 8 . 1 1 59 59 ASN CA C 59 55.536 55.536 56.510 -0.974 18805 2505 1 8 . 1 1 59 59 ASN CB C 59 37.920 37.920 38.130 -0.210 18805 2506 1 8 . 1 1 59 59 ASN H H 59 8.158 8.158 8.179 -0.021 18805 2507 1 8 . 1 1 60 60 ARG N N 60 124.480 124.480 120.642 3.838 18805 2508 1 8 . 1 1 60 60 ARG HA H 60 3.383 3.383 3.585 -0.202 18805 2509 1 8 . 1 1 60 60 ARG C C 60 179.622 179.622 178.117 1.505 18805 2510 1 8 . 1 1 60 60 ARG CA C 60 56.532 56.532 58.175 -1.643 18805 2511 1 8 . 1 1 60 60 ARG CB C 60 27.904 27.904 28.941 -1.037 18805 2512 1 8 . 1 1 60 60 ARG H H 60 8.494 8.494 8.043 0.451 18805 2513 1 8 . 1 1 61 61 ARG N N 61 118.870 118.870 118.298 0.572 18805 2514 1 8 . 1 1 61 61 ARG HA H 61 3.946 3.946 4.147 -0.201 18805 2515 1 8 . 1 1 61 61 ARG C C 61 178.392 178.392 178.590 -0.198 18805 2516 1 8 . 1 1 61 61 ARG CA C 61 60.599 60.599 59.605 0.994 18805 2517 1 8 . 1 1 61 61 ARG CB C 61 31.546 31.546 30.094 1.452 18805 2518 1 8 . 1 1 61 61 ARG H H 61 8.310 8.310 8.020 0.290 18805 2519 1 8 . 1 1 62 62 ALA N N 62 121.373 121.373 123.091 -1.718 18805 2520 1 8 . 1 1 62 62 ALA HA H 62 4.163 4.163 4.076 0.087 18805 2521 1 8 . 1 1 62 62 ALA C C 62 179.899 179.899 179.379 0.520 18805 2522 1 8 . 1 1 62 62 ALA CA C 62 55.109 55.109 55.488 -0.379 18805 2523 1 8 . 1 1 62 62 ALA CB C 62 17.754 17.754 18.347 -0.593 18805 2524 1 8 . 1 1 62 62 ALA H H 62 7.382 7.382 7.929 -0.547 18805 2525 1 8 . 1 1 63 63 LYS N N 63 118.540 118.540 117.834 0.706 18805 2526 1 8 . 1 1 63 63 LYS HA H 63 3.986 3.986 4.041 -0.055 18805 2527 1 8 . 1 1 63 63 LYS C C 63 178.259 178.259 178.633 -0.374 18805 2528 1 8 . 1 1 63 63 LYS CA C 63 58.727 58.727 58.761 -0.034 18805 2529 1 8 . 1 1 63 63 LYS CB C 63 32.634 32.634 32.321 0.313 18805 2530 1 8 . 1 1 63 63 LYS H H 63 7.573 7.573 7.755 -0.182 18805 2531 1 8 . 1 1 64 64 TRP N N 64 121.094 121.094 119.741 1.353 18805 2532 1 8 . 1 1 64 64 TRP HA H 64 4.436 4.436 4.399 0.037 18805 2533 1 8 . 1 1 64 64 TRP C C 64 177.662 177.662 177.849 -0.187 18805 2534 1 8 . 1 1 64 64 TRP CA C 64 60.130 60.130 59.783 0.347 18805 2535 1 8 . 1 1 64 64 TRP CB C 64 29.138 29.138 29.761 -0.623 18805 2536 1 8 . 1 1 64 64 TRP H H 64 8.032 8.032 7.840 0.192 18805 2537 1 8 . 1 1 65 65 ARG N N 65 118.674 118.674 117.072 1.602 18805 2538 1 8 . 1 1 65 65 ARG HA H 65 3.783 3.783 3.958 -0.175 18805 2539 1 8 . 1 1 65 65 ARG C C 65 177.342 177.342 177.058 0.284 18805 2540 1 8 . 1 1 65 65 ARG CA C 65 58.290 58.290 57.921 0.369 18805 2541 1 8 . 1 1 65 65 ARG CB C 65 30.580 30.580 30.415 0.165 18805 2542 1 8 . 1 1 65 65 ARG H H 65 8.232 8.232 8.054 0.178 18805 2543 1 8 . 1 1 66 66 LYS N N 66 118.567 118.567 115.251 3.316 18805 2544 1 8 . 1 1 66 66 LYS HA H 66 4.122 4.122 4.292 -0.170 18805 2545 1 8 . 1 1 66 66 LYS C C 66 177.060 177.060 174.709 2.351 18805 2546 1 8 . 1 1 66 66 LYS CA C 66 57.389 57.389 56.635 0.754 18805 2547 1 8 . 1 1 66 66 LYS CB C 66 32.659 32.659 35.080 -2.421 18805 2548 1 8 . 1 1 66 66 LYS H H 66 7.591 7.591 8.331 -0.740 18805 2549 1 8 . 1 1 67 67 ARG N N 67 119.185 119.185 117.706 1.479 18805 2550 1 8 . 1 1 67 67 ARG HA H 67 4.183 4.183 4.594 -0.411 18805 2551 1 8 . 1 1 67 67 ARG C C 67 176.830 176.830 173.999 2.831 18805 2552 1 8 . 1 1 67 67 ARG CA C 67 56.879 56.879 55.777 1.102 18805 2553 1 8 . 1 1 67 67 ARG CB C 67 30.226 30.226 32.018 -1.792 18805 2554 1 8 . 1 1 67 67 ARG H H 67 7.722 7.722 7.741 -0.019 18805 2555 1 8 . 1 1 68 68 GLU N N 68 120.614 120.614 118.737 1.877 18805 2556 1 8 . 1 1 68 68 GLU HA H 68 4.087 4.087 4.405 -0.318 18805 2557 1 8 . 1 1 68 68 GLU C C 68 176.803 176.803 178.424 -1.621 18805 2558 1 8 . 1 1 68 68 GLU CA C 68 57.076 57.076 56.813 0.263 18805 2559 1 8 . 1 1 68 68 GLU CB C 68 30.099 30.099 30.322 -0.223 18805 2560 1 8 . 1 1 68 68 GLU H H 68 8.157 8.157 8.694 -0.537 18805 2561 1 8 . 1 1 69 69 ARG N N 69 120.012 120.012 120.361 -0.349 18805 2562 1 8 . 1 1 69 69 ARG C C 69 176.270 176.270 176.995 -0.725 18805 2563 1 8 . 1 1 69 69 ARG CA C 69 66.543 66.543 58.061 8.482 18805 2564 1 8 . 1 1 69 69 ARG CB C 69 32.203 32.203 29.968 2.235 18805 2565 1 8 . 1 1 69 69 ARG H H 69 7.974 7.974 8.462 -0.488 18805 2566 1 8 . 1 1 70 70 PHE HA H 70 4.577 4.577 4.478 0.099 18805 2567 1 8 . 1 1 70 70 PHE CA C 70 58.021 58.021 58.033 -0.012 18805 2568 1 8 . 1 1 70 70 PHE CB C 70 39.295 39.295 38.696 0.599 18805 2569 1 9 . 1 1 16 16 PHE HA H 16 5.000 5.000 4.129 0.871 18805 2570 1 9 . 1 1 16 16 PHE C C 16 176.744 176.744 174.223 2.521 18805 2571 1 9 . 1 1 16 16 PHE CA C 16 57.425 57.425 59.297 -1.872 18805 2572 1 9 . 1 1 16 16 PHE CB C 16 41.475 41.475 37.901 3.574 18805 2573 1 9 . 1 1 16 16 PHE H H 16 9.114 9.114 7.650 1.464 18805 2574 1 9 . 1 1 17 17 THR N N 17 113.394 113.394 108.326 5.068 18805 2575 1 9 . 1 1 17 17 THR HA H 17 4.552 4.552 4.684 -0.132 18805 2576 1 9 . 1 1 17 17 THR C C 17 175.352 175.352 174.871 0.481 18805 2577 1 9 . 1 1 17 17 THR CA C 17 60.392 60.392 60.929 -0.537 18805 2578 1 9 . 1 1 17 17 THR CB C 17 71.013 71.013 71.172 -0.159 18805 2579 1 9 . 1 1 17 17 THR H H 17 9.106 9.106 7.963 1.143 18805 2580 1 9 . 1 1 18 18 SER HA H 18 4.146 4.146 4.162 -0.016 18805 2581 1 9 . 1 1 18 18 SER C C 18 176.860 176.860 176.096 0.764 18805 2582 1 9 . 1 1 18 18 SER CA C 18 62.173 62.173 61.666 0.507 18805 2583 1 9 . 1 1 18 18 SER CB C 18 62.172 62.172 62.892 -0.720 18805 2584 1 9 . 1 1 19 19 TYR N N 19 121.561 121.561 121.588 -0.027 18805 2585 1 9 . 1 1 19 19 TYR HA H 19 4.340 4.340 4.192 0.148 18805 2586 1 9 . 1 1 19 19 TYR C C 19 176.860 176.860 177.918 -1.058 18805 2587 1 9 . 1 1 19 19 TYR CA C 19 60.736 60.736 61.532 -0.796 18805 2588 1 9 . 1 1 19 19 TYR CB C 19 38.557 38.557 38.152 0.405 18805 2589 1 9 . 1 1 19 19 TYR H H 19 8.145 8.145 8.599 -0.454 18805 2590 1 9 . 1 1 20 20 GLN N N 20 116.967 116.967 117.889 -0.922 18805 2591 1 9 . 1 1 20 20 GLN HA H 20 3.359 3.359 3.851 -0.492 18805 2592 1 9 . 1 1 20 20 GLN C C 20 177.344 177.344 178.047 -0.703 18805 2593 1 9 . 1 1 20 20 GLN CA C 20 59.633 59.633 59.096 0.537 18805 2594 1 9 . 1 1 20 20 GLN CB C 20 27.866 27.866 28.183 -0.317 18805 2595 1 9 . 1 1 20 20 GLN H H 20 7.545 7.545 8.254 -0.709 18805 2596 1 9 . 1 1 21 21 LEU N N 21 115.751 115.751 119.139 -3.388 18805 2597 1 9 . 1 1 21 21 LEU HA H 21 3.532 3.532 3.603 -0.071 18805 2598 1 9 . 1 1 21 21 LEU C C 21 178.858 178.858 179.278 -0.420 18805 2599 1 9 . 1 1 21 21 LEU CA C 21 57.774 57.774 57.249 0.525 18805 2600 1 9 . 1 1 21 21 LEU CB C 21 41.660 41.660 41.352 0.308 18805 2601 1 9 . 1 1 21 21 LEU H H 21 8.116 8.116 7.701 0.415 18805 2602 1 9 . 1 1 22 22 GLU N N 22 118.939 118.939 119.814 -0.875 18805 2603 1 9 . 1 1 22 22 GLU HA H 22 3.876 3.876 3.919 -0.043 18805 2604 1 9 . 1 1 22 22 GLU C C 22 179.617 179.617 179.180 0.437 18805 2605 1 9 . 1 1 22 22 GLU CA C 22 59.244 59.244 59.643 -0.399 18805 2606 1 9 . 1 1 22 22 GLU CB C 22 29.454 29.454 29.321 0.133 18805 2607 1 9 . 1 1 22 22 GLU H H 22 8.108 8.108 8.106 0.002 18805 2608 1 9 . 1 1 23 23 GLU N N 23 117.643 117.643 119.444 -1.801 18805 2609 1 9 . 1 1 23 23 GLU HA H 23 3.699 3.699 4.013 -0.314 18805 2610 1 9 . 1 1 23 23 GLU C C 23 179.328 179.328 179.095 0.233 18805 2611 1 9 . 1 1 23 23 GLU CA C 23 58.616 58.616 58.353 0.263 18805 2612 1 9 . 1 1 23 23 GLU CB C 23 29.191 29.191 29.287 -0.096 18805 2613 1 9 . 1 1 23 23 GLU H H 23 7.631 7.631 7.419 0.212 18805 2614 1 9 . 1 1 24 24 LEU N N 24 122.218 122.218 119.761 2.457 18805 2615 1 9 . 1 1 24 24 LEU HA H 24 3.490 3.490 3.616 -0.126 18805 2616 1 9 . 1 1 24 24 LEU C C 24 177.731 177.731 178.697 -0.966 18805 2617 1 9 . 1 1 24 24 LEU CA C 24 58.732 58.732 58.090 0.642 18805 2618 1 9 . 1 1 24 24 LEU CB C 24 38.207 38.207 40.505 -2.298 18805 2619 1 9 . 1 1 24 24 LEU H H 24 7.995 7.995 8.270 -0.275 18805 2620 1 9 . 1 1 25 25 GLU N N 25 118.406 118.406 118.065 0.341 18805 2621 1 9 . 1 1 25 25 GLU HA H 25 4.278 4.278 4.137 0.141 18805 2622 1 9 . 1 1 25 25 GLU C C 25 179.059 179.059 178.845 0.214 18805 2623 1 9 . 1 1 25 25 GLU CA C 25 58.612 58.612 59.398 -0.786 18805 2624 1 9 . 1 1 25 25 GLU CB C 25 28.957 28.957 29.186 -0.229 18805 2625 1 9 . 1 1 25 25 GLU H H 25 7.833 7.833 7.511 0.322 18805 2626 1 9 . 1 1 26 26 LYS N N 26 118.033 118.033 120.330 -2.297 18805 2627 1 9 . 1 1 26 26 LYS HA H 26 3.978 3.978 4.020 -0.042 18805 2628 1 9 . 1 1 26 26 LYS C C 26 180.388 180.388 179.338 1.050 18805 2629 1 9 . 1 1 26 26 LYS CA C 26 59.919 59.919 59.455 0.464 18805 2630 1 9 . 1 1 26 26 LYS CB C 26 32.821 32.821 32.406 0.415 18805 2631 1 9 . 1 1 26 26 LYS H H 26 7.795 7.795 7.662 0.133 18805 2632 1 9 . 1 1 27 27 VAL N N 27 118.207 118.207 118.329 -0.122 18805 2633 1 9 . 1 1 27 27 VAL HA H 27 3.853 3.853 3.722 0.131 18805 2634 1 9 . 1 1 27 27 VAL C C 27 177.057 177.057 177.806 -0.749 18805 2635 1 9 . 1 1 27 27 VAL CA C 27 66.944 66.944 65.784 1.159 18805 2636 1 9 . 1 1 27 27 VAL CB C 27 31.034 31.034 31.856 -0.822 18805 2637 1 9 . 1 1 27 27 VAL H H 27 7.316 7.316 7.839 -0.523 18805 2638 1 9 . 1 1 28 28 PHE N N 28 122.791 122.791 121.142 1.649 18805 2639 1 9 . 1 1 28 28 PHE HA H 28 4.744 4.744 4.637 0.107 18805 2640 1 9 . 1 1 28 28 PHE C C 28 175.721 175.721 176.781 -1.060 18805 2641 1 9 . 1 1 28 28 PHE CA C 28 61.452 61.452 60.489 0.963 18805 2642 1 9 . 1 1 28 28 PHE CB C 28 38.872 38.872 39.338 -0.466 18805 2643 1 9 . 1 1 28 28 PHE H H 28 8.540 8.540 7.816 0.724 18805 2644 1 9 . 1 1 29 29 GLN N N 29 112.048 112.048 116.620 -4.572 18805 2645 1 9 . 1 1 29 29 GLN HA H 29 3.843 3.843 4.015 -0.172 18805 2646 1 9 . 1 1 29 29 GLN C C 29 177.467 177.467 177.407 0.060 18805 2647 1 9 . 1 1 29 29 GLN CA C 29 57.595 57.595 56.711 0.884 18805 2648 1 9 . 1 1 29 29 GLN CB C 29 28.204 28.204 28.457 -0.253 18805 2649 1 9 . 1 1 29 29 GLN H H 29 8.129 8.129 8.077 0.052 18805 2650 1 9 . 1 1 30 30 LYS N N 30 118.854 118.854 118.839 0.015 18805 2651 1 9 . 1 1 30 30 LYS HA H 30 4.260 4.260 4.092 0.168 18805 2652 1 9 . 1 1 30 30 LYS C C 30 176.920 176.920 177.150 -0.230 18805 2653 1 9 . 1 1 30 30 LYS CA C 30 57.449 57.449 58.025 -0.576 18805 2654 1 9 . 1 1 30 30 LYS CB C 30 33.450 33.450 33.328 0.122 18805 2655 1 9 . 1 1 30 30 LYS H H 30 7.599 7.599 7.607 -0.008 18805 2656 1 9 . 1 1 31 31 THR N N 31 115.210 115.210 110.777 4.433 18805 2657 1 9 . 1 1 31 31 THR HA H 31 4.279 4.279 4.099 0.180 18805 2658 1 9 . 1 1 31 31 THR C C 31 171.092 171.092 173.163 -2.071 18805 2659 1 9 . 1 1 31 31 THR CA C 31 59.113 59.113 60.505 -1.392 18805 2660 1 9 . 1 1 31 31 THR CB C 31 69.375 69.375 70.432 -1.057 18805 2661 1 9 . 1 1 31 31 THR H H 31 8.840 8.840 7.827 1.013 18805 2662 1 9 . 1 1 32 32 HIS N N 32 123.048 123.048 123.322 -0.274 18805 2663 1 9 . 1 1 32 32 HIS HA H 32 4.343 4.343 3.971 0.372 18805 2664 1 9 . 1 1 32 32 HIS C C 32 174.598 174.598 174.929 -0.331 18805 2665 1 9 . 1 1 32 32 HIS CA C 32 55.323 55.323 58.058 -2.735 18805 2666 1 9 . 1 1 32 32 HIS CB C 32 30.975 30.975 29.489 1.486 18805 2667 1 9 . 1 1 32 32 HIS H H 32 8.342 8.342 8.171 0.171 18805 2668 1 9 . 1 1 33 33 TYR N N 33 114.650 114.650 116.512 -1.862 18805 2669 1 9 . 1 1 33 33 TYR HA H 33 4.703 4.703 5.012 -0.309 18805 2670 1 9 . 1 1 33 33 TYR C C 33 172.558 172.558 173.567 -1.009 18805 2671 1 9 . 1 1 33 33 TYR CA C 33 55.146 55.146 53.722 1.423 18805 2672 1 9 . 1 1 33 33 TYR CB C 33 38.868 38.868 37.352 1.516 18805 2673 1 9 . 1 1 33 33 TYR H H 33 8.109 8.109 7.068 1.041 18805 2674 1 9 . 1 1 34 34 PRO HA H 34 4.273 4.273 4.482 -0.209 18805 2675 1 9 . 1 1 34 34 PRO C C 34 177.097 177.097 177.045 0.052 18805 2676 1 9 . 1 1 34 34 PRO CA C 34 62.413 62.413 62.883 -0.470 18805 2677 1 9 . 1 1 34 34 PRO CB C 34 30.790 30.790 32.564 -1.774 18805 2678 1 9 . 1 1 35 35 ASP N N 35 124.197 124.197 123.260 0.937 18805 2679 1 9 . 1 1 35 35 ASP HA H 35 4.447 4.447 4.470 -0.023 18805 2680 1 9 . 1 1 35 35 ASP C C 35 175.603 175.603 178.040 -2.437 18805 2681 1 9 . 1 1 35 35 ASP CA C 35 52.685 52.685 55.069 -2.384 18805 2682 1 9 . 1 1 35 35 ASP CB C 35 40.952 40.952 41.411 -0.459 18805 2683 1 9 . 1 1 35 35 ASP H H 35 8.547 8.547 8.190 0.357 18805 2684 1 9 . 1 1 36 36 VAL N N 36 118.006 118.006 121.433 -3.427 18805 2685 1 9 . 1 1 36 36 VAL HA H 36 3.473 3.473 3.732 -0.259 18805 2686 1 9 . 1 1 36 36 VAL C C 36 176.268 176.268 177.051 -0.783 18805 2687 1 9 . 1 1 36 36 VAL CA C 36 66.404 66.404 65.906 0.498 18805 2688 1 9 . 1 1 36 36 VAL CB C 36 31.419 31.419 32.088 -0.669 18805 2689 1 9 . 1 1 36 36 VAL H H 36 8.281 8.281 8.374 -0.093 18805 2690 1 9 . 1 1 37 37 TYR N N 37 121.225 121.225 119.991 1.234 18805 2691 1 9 . 1 1 37 37 TYR HA H 37 4.305 4.305 4.200 0.105 18805 2692 1 9 . 1 1 37 37 TYR C C 37 178.136 178.136 177.241 0.895 18805 2693 1 9 . 1 1 37 37 TYR CA C 37 60.808 60.808 61.950 -1.142 18805 2694 1 9 . 1 1 37 37 TYR CB C 37 37.392 37.392 37.582 -0.190 18805 2695 1 9 . 1 1 37 37 TYR H H 37 7.423 7.423 8.234 -0.811 18805 2696 1 9 . 1 1 38 38 ALA N N 38 122.550 122.550 121.564 0.986 18805 2697 1 9 . 1 1 38 38 ALA HA H 38 4.071 4.071 4.330 -0.259 18805 2698 1 9 . 1 1 38 38 ALA C C 38 182.258 182.258 179.949 2.309 18805 2699 1 9 . 1 1 38 38 ALA CA C 38 54.885 54.885 54.760 0.126 18805 2700 1 9 . 1 1 38 38 ALA CB C 38 18.336 18.336 18.297 0.040 18805 2701 1 9 . 1 1 38 38 ALA H H 38 8.376 8.376 8.443 -0.067 18805 2702 1 9 . 1 1 39 39 ARG N N 39 117.400 117.400 116.890 0.510 18805 2703 1 9 . 1 1 39 39 ARG HA H 39 3.834 3.834 4.002 -0.168 18805 2704 1 9 . 1 1 39 39 ARG C C 39 178.142 178.142 178.877 -0.735 18805 2705 1 9 . 1 1 39 39 ARG CA C 39 60.991 60.991 58.899 2.092 18805 2706 1 9 . 1 1 39 39 ARG CB C 39 31.335 31.335 29.953 1.382 18805 2707 1 9 . 1 1 39 39 ARG H H 39 8.699 8.699 7.719 0.980 18805 2708 1 9 . 1 1 40 40 GLU N N 40 121.231 121.231 120.639 0.592 18805 2709 1 9 . 1 1 40 40 GLU HA H 40 3.943 3.943 3.984 -0.041 18805 2710 1 9 . 1 1 40 40 GLU C C 40 179.598 179.598 178.685 0.913 18805 2711 1 9 . 1 1 40 40 GLU CA C 40 59.805 59.805 58.898 0.907 18805 2712 1 9 . 1 1 40 40 GLU CB C 40 29.508 29.508 29.009 0.499 18805 2713 1 9 . 1 1 40 40 GLU H H 40 8.672 8.672 8.190 0.482 18805 2714 1 9 . 1 1 41 41 GLN N N 41 118.662 118.662 118.833 -0.171 18805 2715 1 9 . 1 1 41 41 GLN HA H 41 3.958 3.958 3.936 0.022 18805 2716 1 9 . 1 1 41 41 GLN C C 41 178.675 178.675 178.572 0.103 18805 2717 1 9 . 1 1 41 41 GLN CA C 41 58.594 58.594 58.696 -0.102 18805 2718 1 9 . 1 1 41 41 GLN CB C 41 28.396 28.396 28.580 -0.184 18805 2719 1 9 . 1 1 41 41 GLN H H 41 8.264 8.264 7.659 0.605 18805 2720 1 9 . 1 1 42 42 LEU N N 42 121.044 121.044 120.505 0.539 18805 2721 1 9 . 1 1 42 42 LEU HA H 42 4.009 4.009 4.028 -0.019 18805 2722 1 9 . 1 1 42 42 LEU C C 42 179.727 179.727 178.078 1.649 18805 2723 1 9 . 1 1 42 42 LEU CA C 42 57.600 57.600 57.660 -0.060 18805 2724 1 9 . 1 1 42 42 LEU CB C 42 42.752 42.752 41.574 1.178 18805 2725 1 9 . 1 1 42 42 LEU H H 42 7.909 7.909 7.824 0.085 18805 2726 1 9 . 1 1 43 43 ALA N N 43 124.342 124.342 121.145 3.197 18805 2727 1 9 . 1 1 43 43 ALA HA H 43 3.697 3.697 4.080 -0.383 18805 2728 1 9 . 1 1 43 43 ALA C C 43 179.056 179.056 179.721 -0.665 18805 2729 1 9 . 1 1 43 43 ALA CA C 43 55.561 55.561 54.599 0.963 18805 2730 1 9 . 1 1 43 43 ALA CB C 43 17.186 17.186 18.642 -1.456 18805 2731 1 9 . 1 1 43 43 ALA H H 43 8.647 8.647 7.730 0.917 18805 2732 1 9 . 1 1 44 44 MET N N 44 115.878 115.878 116.494 -0.616 18805 2733 1 9 . 1 1 44 44 MET HA H 44 4.262 4.262 4.098 0.164 18805 2734 1 9 . 1 1 44 44 MET C C 44 179.154 179.154 178.665 0.489 18805 2735 1 9 . 1 1 44 44 MET CA C 44 58.569 58.569 58.795 -0.227 18805 2736 1 9 . 1 1 44 44 MET CB C 44 32.138 32.138 32.702 -0.564 18805 2737 1 9 . 1 1 44 44 MET H H 44 7.926 7.926 7.628 0.298 18805 2738 1 9 . 1 1 45 45 ARG N N 45 116.503 116.503 118.081 -1.578 18805 2739 1 9 . 1 1 45 45 ARG HA H 45 4.402 4.402 4.141 0.261 18805 2740 1 9 . 1 1 45 45 ARG C C 45 177.591 177.591 178.858 -1.267 18805 2741 1 9 . 1 1 45 45 ARG CA C 45 58.315 58.315 58.844 -0.529 18805 2742 1 9 . 1 1 45 45 ARG CB C 45 30.909 30.909 30.325 0.584 18805 2743 1 9 . 1 1 45 45 ARG H H 45 7.903 7.903 7.833 0.070 18805 2744 1 9 . 1 1 46 46 THR N N 46 105.711 105.711 109.237 -3.526 18805 2745 1 9 . 1 1 46 46 THR HA H 46 4.501 4.501 4.435 0.066 18805 2746 1 9 . 1 1 46 46 THR C C 46 174.417 174.417 174.511 -0.094 18805 2747 1 9 . 1 1 46 46 THR CA C 46 61.808 61.808 63.106 -1.298 18805 2748 1 9 . 1 1 46 46 THR CB C 46 70.714 70.714 69.334 1.380 18805 2749 1 9 . 1 1 46 46 THR H H 46 7.662 7.662 7.938 -0.276 18805 2750 1 9 . 1 1 47 47 ASP N N 47 120.391 120.391 118.667 1.724 18805 2751 1 9 . 1 1 47 47 ASP HA H 47 4.472 4.472 4.341 0.131 18805 2752 1 9 . 1 1 47 47 ASP C C 47 174.537 174.537 175.003 -0.466 18805 2753 1 9 . 1 1 47 47 ASP CA C 47 55.933 55.933 55.421 0.512 18805 2754 1 9 . 1 1 47 47 ASP CB C 47 39.565 39.565 39.914 -0.349 18805 2755 1 9 . 1 1 47 47 ASP H H 47 7.922 7.922 7.668 0.254 18805 2756 1 9 . 1 1 48 48 LEU N N 48 118.406 118.406 118.580 -0.174 18805 2757 1 9 . 1 1 48 48 LEU HA H 48 4.891 4.891 4.493 0.398 18805 2758 1 9 . 1 1 48 48 LEU C C 48 176.180 176.180 177.257 -1.077 18805 2759 1 9 . 1 1 48 48 LEU CA C 48 52.943 52.943 54.579 -1.636 18805 2760 1 9 . 1 1 48 48 LEU CB C 48 46.638 46.638 43.103 3.534 18805 2761 1 9 . 1 1 48 48 LEU H H 48 8.072 8.072 7.415 0.657 18805 2762 1 9 . 1 1 49 49 THR N N 49 106.891 106.891 115.883 -8.992 18805 2763 1 9 . 1 1 49 49 THR HA H 49 4.597 4.597 4.331 0.266 18805 2764 1 9 . 1 1 49 49 THR C C 49 175.667 175.667 175.657 0.010 18805 2765 1 9 . 1 1 49 49 THR CA C 49 59.573 59.573 62.577 -3.003 18805 2766 1 9 . 1 1 49 49 THR CB C 49 71.085 71.085 69.661 1.424 18805 2767 1 9 . 1 1 49 49 THR H H 49 7.071 7.071 8.201 -1.130 18805 2768 1 9 . 1 1 50 50 GLU N N 50 124.013 124.013 126.913 -2.900 18805 2769 1 9 . 1 1 50 50 GLU HA H 50 3.721 3.721 3.985 -0.264 18805 2770 1 9 . 1 1 50 50 GLU C C 50 178.112 178.112 178.463 -0.351 18805 2771 1 9 . 1 1 50 50 GLU CA C 50 60.982 60.982 60.298 0.684 18805 2772 1 9 . 1 1 50 50 GLU CB C 50 28.654 28.654 29.689 -1.034 18805 2773 1 9 . 1 1 50 50 GLU H H 50 9.271 9.271 9.041 0.230 18805 2774 1 9 . 1 1 51 51 ALA N N 51 119.708 119.708 121.617 -1.909 18805 2775 1 9 . 1 1 51 51 ALA HA H 51 4.108 4.108 4.173 -0.065 18805 2776 1 9 . 1 1 51 51 ALA C C 51 180.493 180.493 179.773 0.720 18805 2777 1 9 . 1 1 51 51 ALA CA C 51 55.200 55.200 54.896 0.304 18805 2778 1 9 . 1 1 51 51 ALA CB C 51 18.397 18.397 18.138 0.259 18805 2779 1 9 . 1 1 51 51 ALA H H 51 8.377 8.377 8.413 -0.036 18805 2780 1 9 . 1 1 52 52 ARG N N 52 117.740 117.740 118.772 -1.032 18805 2781 1 9 . 1 1 52 52 ARG HA H 52 4.213 4.213 4.280 -0.067 18805 2782 1 9 . 1 1 52 52 ARG C C 52 179.734 179.734 178.743 0.991 18805 2783 1 9 . 1 1 52 52 ARG CA C 52 59.006 59.006 58.998 0.008 18805 2784 1 9 . 1 1 52 52 ARG CB C 52 30.626 30.626 30.255 0.371 18805 2785 1 9 . 1 1 52 52 ARG H H 52 7.756 7.756 7.466 0.290 18805 2786 1 9 . 1 1 53 53 VAL N N 53 120.607 120.607 120.852 -0.245 18805 2787 1 9 . 1 1 53 53 VAL HA H 53 3.706 3.706 3.813 -0.107 18805 2788 1 9 . 1 1 53 53 VAL C C 53 177.734 177.734 178.476 -0.742 18805 2789 1 9 . 1 1 53 53 VAL CA C 53 67.350 67.350 66.375 0.975 18805 2790 1 9 . 1 1 53 53 VAL CB C 53 31.900 31.900 31.087 0.813 18805 2791 1 9 . 1 1 53 53 VAL H H 53 8.206 8.206 8.100 0.106 18805 2792 1 9 . 1 1 54 54 GLN N N 54 119.441 119.441 118.381 1.060 18805 2793 1 9 . 1 1 54 54 GLN HA H 54 4.401 4.401 4.158 0.243 18805 2794 1 9 . 1 1 54 54 GLN C C 54 179.055 179.055 179.099 -0.044 18805 2795 1 9 . 1 1 54 54 GLN CA C 54 60.036 60.036 58.817 1.219 18805 2796 1 9 . 1 1 54 54 GLN CB C 54 28.509 28.509 28.032 0.477 18805 2797 1 9 . 1 1 54 54 GLN H H 54 8.747 8.747 8.301 0.446 18805 2798 1 9 . 1 1 55 55 VAL N N 55 119.951 119.951 119.952 -0.001 18805 2799 1 9 . 1 1 55 55 VAL HA H 55 3.783 3.783 3.809 -0.026 18805 2800 1 9 . 1 1 55 55 VAL C C 55 177.751 177.751 177.853 -0.102 18805 2801 1 9 . 1 1 55 55 VAL CA C 55 66.575 66.575 66.815 -0.240 18805 2802 1 9 . 1 1 55 55 VAL CB C 55 32.017 32.017 31.350 0.667 18805 2803 1 9 . 1 1 55 55 VAL H H 55 7.973 7.973 7.615 0.358 18805 2804 1 9 . 1 1 56 56 TRP N N 56 121.386 121.386 121.943 -0.557 18805 2805 1 9 . 1 1 56 56 TRP HA H 56 4.075 4.075 4.247 -0.172 18805 2806 1 9 . 1 1 56 56 TRP C C 56 179.849 179.849 178.209 1.640 18805 2807 1 9 . 1 1 56 56 TRP CA C 56 63.249 63.249 61.829 1.420 18805 2808 1 9 . 1 1 56 56 TRP CB C 56 28.266 28.266 29.631 -1.365 18805 2809 1 9 . 1 1 56 56 TRP H H 56 8.351 8.351 7.739 0.612 18805 2810 1 9 . 1 1 57 57 PHE N N 57 118.444 118.444 117.444 1.000 18805 2811 1 9 . 1 1 57 57 PHE HA H 57 3.629 3.629 4.008 -0.379 18805 2812 1 9 . 1 1 57 57 PHE C C 57 178.058 178.058 178.150 -0.092 18805 2813 1 9 . 1 1 57 57 PHE CA C 57 63.831 63.831 62.501 1.330 18805 2814 1 9 . 1 1 57 57 PHE CB C 57 39.161 39.161 38.883 0.278 18805 2815 1 9 . 1 1 57 57 PHE H H 57 8.924 8.924 8.508 0.416 18805 2816 1 9 . 1 1 58 58 GLN N N 58 119.552 119.552 118.670 0.882 18805 2817 1 9 . 1 1 58 58 GLN HA H 58 3.958 3.958 4.011 -0.053 18805 2818 1 9 . 1 1 58 58 GLN C C 58 179.475 179.475 178.498 0.977 18805 2819 1 9 . 1 1 58 58 GLN CA C 58 59.730 59.730 59.132 0.598 18805 2820 1 9 . 1 1 58 58 GLN CB C 58 28.108 28.108 28.473 -0.364 18805 2821 1 9 . 1 1 58 58 GLN H H 58 8.322 8.322 8.553 -0.231 18805 2822 1 9 . 1 1 59 59 ASN N N 59 119.095 119.095 118.139 0.956 18805 2823 1 9 . 1 1 59 59 ASN HA H 59 4.344 4.344 4.373 -0.029 18805 2824 1 9 . 1 1 59 59 ASN C C 59 177.212 177.212 177.686 -0.474 18805 2825 1 9 . 1 1 59 59 ASN CA C 59 55.536 55.536 56.345 -0.809 18805 2826 1 9 . 1 1 59 59 ASN CB C 59 37.920 37.920 38.527 -0.607 18805 2827 1 9 . 1 1 59 59 ASN H H 59 8.158 8.158 8.126 0.032 18805 2828 1 9 . 1 1 60 60 ARG N N 60 124.480 124.480 119.560 4.920 18805 2829 1 9 . 1 1 60 60 ARG HA H 60 3.383 3.383 3.856 -0.473 18805 2830 1 9 . 1 1 60 60 ARG C C 60 179.622 179.622 178.768 0.854 18805 2831 1 9 . 1 1 60 60 ARG CA C 60 56.532 56.532 58.435 -1.903 18805 2832 1 9 . 1 1 60 60 ARG CB C 60 27.904 27.904 29.113 -1.209 18805 2833 1 9 . 1 1 60 60 ARG H H 60 8.494 8.494 7.543 0.951 18805 2834 1 9 . 1 1 61 61 ARG N N 61 118.870 118.870 119.313 -0.443 18805 2835 1 9 . 1 1 61 61 ARG HA H 61 3.946 3.946 4.345 -0.399 18805 2836 1 9 . 1 1 61 61 ARG C C 61 178.392 178.392 178.918 -0.526 18805 2837 1 9 . 1 1 61 61 ARG CA C 61 60.599 60.599 59.188 1.411 18805 2838 1 9 . 1 1 61 61 ARG CB C 61 31.546 31.546 30.005 1.541 18805 2839 1 9 . 1 1 61 61 ARG H H 61 8.310 8.310 8.326 -0.016 18805 2840 1 9 . 1 1 62 62 ALA N N 62 121.373 121.373 121.915 -0.542 18805 2841 1 9 . 1 1 62 62 ALA HA H 62 4.163 4.163 4.181 -0.018 18805 2842 1 9 . 1 1 62 62 ALA C C 62 179.899 179.899 179.120 0.779 18805 2843 1 9 . 1 1 62 62 ALA CA C 62 55.109 55.109 55.021 0.088 18805 2844 1 9 . 1 1 62 62 ALA CB C 62 17.754 17.754 18.235 -0.481 18805 2845 1 9 . 1 1 62 62 ALA H H 62 7.382 7.382 8.106 -0.724 18805 2846 1 9 . 1 1 63 63 LYS N N 63 118.540 118.540 116.865 1.675 18805 2847 1 9 . 1 1 63 63 LYS HA H 63 3.986 3.986 4.193 -0.207 18805 2848 1 9 . 1 1 63 63 LYS C C 63 178.259 178.259 177.701 0.558 18805 2849 1 9 . 1 1 63 63 LYS CA C 63 58.727 58.727 58.163 0.564 18805 2850 1 9 . 1 1 63 63 LYS CB C 63 32.634 32.634 32.731 -0.097 18805 2851 1 9 . 1 1 63 63 LYS H H 63 7.573 7.573 7.608 -0.035 18805 2852 1 9 . 1 1 64 64 TRP N N 64 121.094 121.094 120.458 0.636 18805 2853 1 9 . 1 1 64 64 TRP HA H 64 4.436 4.436 4.344 0.092 18805 2854 1 9 . 1 1 64 64 TRP C C 64 177.662 177.662 177.990 -0.328 18805 2855 1 9 . 1 1 64 64 TRP CA C 64 60.130 60.130 60.143 -0.013 18805 2856 1 9 . 1 1 64 64 TRP CB C 64 29.138 29.138 29.820 -0.682 18805 2857 1 9 . 1 1 64 64 TRP H H 64 8.032 8.032 8.259 -0.227 18805 2858 1 9 . 1 1 65 65 ARG N N 65 118.674 118.674 118.895 -0.221 18805 2859 1 9 . 1 1 65 65 ARG HA H 65 3.783 3.783 3.981 -0.198 18805 2860 1 9 . 1 1 65 65 ARG C C 65 177.342 177.342 176.356 0.986 18805 2861 1 9 . 1 1 65 65 ARG CA C 65 58.290 58.290 58.042 0.248 18805 2862 1 9 . 1 1 65 65 ARG CB C 65 30.580 30.580 30.606 -0.026 18805 2863 1 9 . 1 1 65 65 ARG H H 65 8.232 8.232 7.779 0.453 18805 2864 1 9 . 1 1 66 66 LYS N N 66 118.567 118.567 119.150 -0.583 18805 2865 1 9 . 1 1 66 66 LYS HA H 66 4.122 4.122 4.281 -0.159 18805 2866 1 9 . 1 1 66 66 LYS C C 66 177.060 177.060 175.055 2.005 18805 2867 1 9 . 1 1 66 66 LYS CA C 66 57.389 57.389 55.811 1.578 18805 2868 1 9 . 1 1 66 66 LYS CB C 66 32.659 32.659 32.495 0.164 18805 2869 1 9 . 1 1 66 66 LYS H H 66 7.591 7.591 7.666 -0.075 18805 2870 1 9 . 1 1 67 67 ARG N N 67 119.185 119.185 126.928 -7.743 18805 2871 1 9 . 1 1 67 67 ARG HA H 67 4.183 4.183 4.382 -0.199 18805 2872 1 9 . 1 1 67 67 ARG C C 67 176.830 176.830 175.684 1.146 18805 2873 1 9 . 1 1 67 67 ARG CA C 67 56.879 56.879 56.296 0.583 18805 2874 1 9 . 1 1 67 67 ARG CB C 67 30.226 30.226 30.659 -0.433 18805 2875 1 9 . 1 1 67 67 ARG H H 67 7.722 7.722 8.421 -0.699 18805 2876 1 9 . 1 1 68 68 GLU N N 68 120.614 120.614 124.072 -3.458 18805 2877 1 9 . 1 1 68 68 GLU HA H 68 4.087 4.087 4.514 -0.427 18805 2878 1 9 . 1 1 68 68 GLU C C 68 176.803 176.803 175.966 0.837 18805 2879 1 9 . 1 1 68 68 GLU CA C 68 57.076 57.076 55.640 1.436 18805 2880 1 9 . 1 1 68 68 GLU CB C 68 30.099 30.099 30.383 -0.284 18805 2881 1 9 . 1 1 68 68 GLU H H 68 8.157 8.157 8.531 -0.374 18805 2882 1 9 . 1 1 69 69 ARG N N 69 120.012 120.012 120.106 -0.094 18805 2883 1 9 . 1 1 69 69 ARG C C 69 176.270 176.270 177.203 -0.933 18805 2884 1 9 . 1 1 69 69 ARG CA C 69 66.543 66.543 55.439 11.104 18805 2885 1 9 . 1 1 69 69 ARG CB C 69 32.203 32.203 30.473 1.730 18805 2886 1 9 . 1 1 69 69 ARG H H 69 7.974 7.974 8.539 -0.565 18805 2887 1 9 . 1 1 70 70 PHE HA H 70 4.577 4.577 4.289 0.288 18805 2888 1 9 . 1 1 70 70 PHE CA C 70 58.021 58.021 58.889 -0.868 18805 2889 1 9 . 1 1 70 70 PHE CB C 70 39.295 39.295 39.506 -0.211 18805 2890 1 10 . 1 1 16 16 PHE HA H 16 5.000 5.000 4.518 0.482 18805 2891 1 10 . 1 1 16 16 PHE C C 16 176.744 176.744 175.778 0.966 18805 2892 1 10 . 1 1 16 16 PHE CA C 16 57.425 57.425 57.312 0.113 18805 2893 1 10 . 1 1 16 16 PHE CB C 16 41.475 41.475 38.279 3.196 18805 2894 1 10 . 1 1 16 16 PHE H H 16 9.114 9.114 7.613 1.501 18805 2895 1 10 . 1 1 17 17 THR N N 17 113.394 113.394 112.020 1.374 18805 2896 1 10 . 1 1 17 17 THR HA H 17 4.552 4.552 4.604 -0.052 18805 2897 1 10 . 1 1 17 17 THR C C 17 175.352 175.352 175.896 -0.544 18805 2898 1 10 . 1 1 17 17 THR CA C 17 60.392 60.392 60.518 -0.126 18805 2899 1 10 . 1 1 17 17 THR CB C 17 71.013 71.013 70.844 0.169 18805 2900 1 10 . 1 1 17 17 THR H H 17 9.106 9.106 8.178 0.928 18805 2901 1 10 . 1 1 18 18 SER HA H 18 4.146 4.146 4.193 -0.047 18805 2902 1 10 . 1 1 18 18 SER C C 18 176.860 176.860 176.314 0.546 18805 2903 1 10 . 1 1 18 18 SER CA C 18 62.173 62.173 61.291 0.882 18805 2904 1 10 . 1 1 18 18 SER CB C 18 62.172 62.172 62.869 -0.697 18805 2905 1 10 . 1 1 19 19 TYR N N 19 121.561 121.561 122.015 -0.454 18805 2906 1 10 . 1 1 19 19 TYR HA H 19 4.340 4.340 4.145 0.195 18805 2907 1 10 . 1 1 19 19 TYR C C 19 176.860 176.860 177.395 -0.535 18805 2908 1 10 . 1 1 19 19 TYR CA C 19 60.736 60.736 61.181 -0.445 18805 2909 1 10 . 1 1 19 19 TYR CB C 19 38.557 38.557 38.334 0.223 18805 2910 1 10 . 1 1 19 19 TYR H H 19 8.145 8.145 8.406 -0.261 18805 2911 1 10 . 1 1 20 20 GLN N N 20 116.967 116.967 118.482 -1.515 18805 2912 1 10 . 1 1 20 20 GLN HA H 20 3.359 3.359 3.785 -0.426 18805 2913 1 10 . 1 1 20 20 GLN C C 20 177.344 177.344 178.058 -0.714 18805 2914 1 10 . 1 1 20 20 GLN CA C 20 59.633 59.633 59.257 0.376 18805 2915 1 10 . 1 1 20 20 GLN CB C 20 27.866 27.866 28.814 -0.948 18805 2916 1 10 . 1 1 20 20 GLN H H 20 7.545 7.545 7.723 -0.178 18805 2917 1 10 . 1 1 21 21 LEU N N 21 115.751 115.751 119.230 -3.479 18805 2918 1 10 . 1 1 21 21 LEU HA H 21 3.532 3.532 3.651 -0.119 18805 2919 1 10 . 1 1 21 21 LEU C C 21 178.858 178.858 179.003 -0.145 18805 2920 1 10 . 1 1 21 21 LEU CA C 21 57.774 57.774 57.236 0.538 18805 2921 1 10 . 1 1 21 21 LEU CB C 21 41.660 41.660 41.403 0.257 18805 2922 1 10 . 1 1 21 21 LEU H H 21 8.116 8.116 7.843 0.273 18805 2923 1 10 . 1 1 22 22 GLU N N 22 118.939 118.939 120.001 -1.062 18805 2924 1 10 . 1 1 22 22 GLU HA H 22 3.876 3.876 3.919 -0.043 18805 2925 1 10 . 1 1 22 22 GLU C C 22 179.617 179.617 179.190 0.427 18805 2926 1 10 . 1 1 22 22 GLU CA C 22 59.244 59.244 59.564 -0.320 18805 2927 1 10 . 1 1 22 22 GLU CB C 22 29.454 29.454 29.147 0.307 18805 2928 1 10 . 1 1 22 22 GLU H H 22 8.108 8.108 7.858 0.250 18805 2929 1 10 . 1 1 23 23 GLU N N 23 117.643 117.643 119.341 -1.698 18805 2930 1 10 . 1 1 23 23 GLU HA H 23 3.699 3.699 3.973 -0.274 18805 2931 1 10 . 1 1 23 23 GLU C C 23 179.328 179.328 179.050 0.278 18805 2932 1 10 . 1 1 23 23 GLU CA C 23 58.616 58.616 58.485 0.131 18805 2933 1 10 . 1 1 23 23 GLU CB C 23 29.191 29.191 29.403 -0.212 18805 2934 1 10 . 1 1 23 23 GLU H H 23 7.631 7.631 7.542 0.089 18805 2935 1 10 . 1 1 24 24 LEU N N 24 122.218 122.218 120.124 2.094 18805 2936 1 10 . 1 1 24 24 LEU HA H 24 3.490 3.490 3.537 -0.047 18805 2937 1 10 . 1 1 24 24 LEU C C 24 177.731 177.731 178.889 -1.158 18805 2938 1 10 . 1 1 24 24 LEU CA C 24 58.732 58.732 58.318 0.414 18805 2939 1 10 . 1 1 24 24 LEU CB C 24 38.207 38.207 40.551 -2.344 18805 2940 1 10 . 1 1 24 24 LEU H H 24 7.995 7.995 8.157 -0.162 18805 2941 1 10 . 1 1 25 25 GLU N N 25 118.406 118.406 117.685 0.721 18805 2942 1 10 . 1 1 25 25 GLU HA H 25 4.278 4.278 4.300 -0.022 18805 2943 1 10 . 1 1 25 25 GLU C C 25 179.059 179.059 178.992 0.067 18805 2944 1 10 . 1 1 25 25 GLU CA C 25 58.612 58.612 59.520 -0.908 18805 2945 1 10 . 1 1 25 25 GLU CB C 25 28.957 28.957 29.190 -0.233 18805 2946 1 10 . 1 1 25 25 GLU H H 25 7.833 7.833 7.717 0.116 18805 2947 1 10 . 1 1 26 26 LYS N N 26 118.033 118.033 120.364 -2.331 18805 2948 1 10 . 1 1 26 26 LYS HA H 26 3.978 3.978 4.013 -0.035 18805 2949 1 10 . 1 1 26 26 LYS C C 26 180.388 180.388 179.311 1.077 18805 2950 1 10 . 1 1 26 26 LYS CA C 26 59.919 59.919 59.431 0.488 18805 2951 1 10 . 1 1 26 26 LYS CB C 26 32.821 32.821 32.245 0.576 18805 2952 1 10 . 1 1 26 26 LYS H H 26 7.795 7.795 7.390 0.405 18805 2953 1 10 . 1 1 27 27 VAL N N 27 118.207 118.207 118.753 -0.546 18805 2954 1 10 . 1 1 27 27 VAL HA H 27 3.853 3.853 3.681 0.172 18805 2955 1 10 . 1 1 27 27 VAL C C 27 177.057 177.057 177.698 -0.641 18805 2956 1 10 . 1 1 27 27 VAL CA C 27 66.944 66.944 66.017 0.927 18805 2957 1 10 . 1 1 27 27 VAL CB C 27 31.034 31.034 31.947 -0.913 18805 2958 1 10 . 1 1 27 27 VAL H H 27 7.316 7.316 7.967 -0.651 18805 2959 1 10 . 1 1 28 28 PHE N N 28 122.791 122.791 121.223 1.568 18805 2960 1 10 . 1 1 28 28 PHE HA H 28 4.744 4.744 4.770 -0.026 18805 2961 1 10 . 1 1 28 28 PHE C C 28 175.721 175.721 177.429 -1.708 18805 2962 1 10 . 1 1 28 28 PHE CA C 28 61.452 61.452 60.639 0.812 18805 2963 1 10 . 1 1 28 28 PHE CB C 28 38.872 38.872 39.622 -0.750 18805 2964 1 10 . 1 1 28 28 PHE H H 28 8.540 8.540 8.081 0.459 18805 2965 1 10 . 1 1 29 29 GLN N N 29 112.048 112.048 115.046 -2.998 18805 2966 1 10 . 1 1 29 29 GLN HA H 29 3.843 3.843 4.010 -0.167 18805 2967 1 10 . 1 1 29 29 GLN C C 29 177.467 177.467 176.447 1.020 18805 2968 1 10 . 1 1 29 29 GLN CA C 29 57.595 57.595 56.868 0.727 18805 2969 1 10 . 1 1 29 29 GLN CB C 29 28.204 28.204 28.281 -0.077 18805 2970 1 10 . 1 1 29 29 GLN H H 29 8.129 8.129 8.144 -0.015 18805 2971 1 10 . 1 1 30 30 LYS N N 30 118.854 118.854 117.270 1.584 18805 2972 1 10 . 1 1 30 30 LYS HA H 30 4.260 4.260 4.285 -0.025 18805 2973 1 10 . 1 1 30 30 LYS C C 30 176.920 176.920 176.927 -0.007 18805 2974 1 10 . 1 1 30 30 LYS CA C 30 57.449 57.449 56.758 0.691 18805 2975 1 10 . 1 1 30 30 LYS CB C 30 33.450 33.450 33.799 -0.349 18805 2976 1 10 . 1 1 30 30 LYS H H 30 7.599 7.599 7.337 0.262 18805 2977 1 10 . 1 1 31 31 THR N N 31 115.210 115.210 114.115 1.095 18805 2978 1 10 . 1 1 31 31 THR HA H 31 4.279 4.279 4.198 0.081 18805 2979 1 10 . 1 1 31 31 THR C C 31 171.092 171.092 173.807 -2.715 18805 2980 1 10 . 1 1 31 31 THR CA C 31 59.113 59.113 60.308 -1.195 18805 2981 1 10 . 1 1 31 31 THR CB C 31 69.375 69.375 70.087 -0.712 18805 2982 1 10 . 1 1 31 31 THR H H 31 8.840 8.840 7.905 0.935 18805 2983 1 10 . 1 1 32 32 HIS N N 32 123.048 123.048 126.151 -3.103 18805 2984 1 10 . 1 1 32 32 HIS HA H 32 4.343 4.343 4.241 0.102 18805 2985 1 10 . 1 1 32 32 HIS C C 32 174.598 174.598 175.002 -0.404 18805 2986 1 10 . 1 1 32 32 HIS CA C 32 55.323 55.323 57.636 -2.312 18805 2987 1 10 . 1 1 32 32 HIS CB C 32 30.975 30.975 29.503 1.472 18805 2988 1 10 . 1 1 32 32 HIS H H 32 8.342 8.342 8.135 0.207 18805 2989 1 10 . 1 1 33 33 TYR N N 33 114.650 114.650 115.632 -0.982 18805 2990 1 10 . 1 1 33 33 TYR HA H 33 4.703 4.703 4.879 -0.176 18805 2991 1 10 . 1 1 33 33 TYR C C 33 172.558 172.558 173.196 -0.638 18805 2992 1 10 . 1 1 33 33 TYR CA C 33 55.146 55.146 53.986 1.160 18805 2993 1 10 . 1 1 33 33 TYR CB C 33 38.868 38.868 37.559 1.309 18805 2994 1 10 . 1 1 33 33 TYR H H 33 8.109 8.109 6.815 1.294 18805 2995 1 10 . 1 1 34 34 PRO HA H 34 4.273 4.273 4.403 -0.130 18805 2996 1 10 . 1 1 34 34 PRO C C 34 177.097 177.097 176.511 0.586 18805 2997 1 10 . 1 1 34 34 PRO CA C 34 62.413 62.413 62.595 -0.182 18805 2998 1 10 . 1 1 34 34 PRO CB C 34 30.790 30.790 32.553 -1.763 18805 2999 1 10 . 1 1 35 35 ASP N N 35 124.197 124.197 123.566 0.631 18805 3000 1 10 . 1 1 35 35 ASP HA H 35 4.447 4.447 4.562 -0.115 18805 3001 1 10 . 1 1 35 35 ASP C C 35 175.603 175.603 177.846 -2.243 18805 3002 1 10 . 1 1 35 35 ASP CA C 35 52.685 52.685 54.111 -1.426 18805 3003 1 10 . 1 1 35 35 ASP CB C 35 40.952 40.952 42.499 -1.547 18805 3004 1 10 . 1 1 35 35 ASP H H 35 8.547 8.547 8.321 0.226 18805 3005 1 10 . 1 1 36 36 VAL N N 36 118.006 118.006 121.811 -3.805 18805 3006 1 10 . 1 1 36 36 VAL HA H 36 3.473 3.473 3.755 -0.282 18805 3007 1 10 . 1 1 36 36 VAL C C 36 176.268 176.268 177.964 -1.696 18805 3008 1 10 . 1 1 36 36 VAL CA C 36 66.404 66.404 66.204 0.200 18805 3009 1 10 . 1 1 36 36 VAL CB C 36 31.419 31.419 31.908 -0.489 18805 3010 1 10 . 1 1 36 36 VAL H H 36 8.281 8.281 8.527 -0.246 18805 3011 1 10 . 1 1 37 37 TYR N N 37 121.225 121.225 119.997 1.228 18805 3012 1 10 . 1 1 37 37 TYR HA H 37 4.305 4.305 4.157 0.148 18805 3013 1 10 . 1 1 37 37 TYR C C 37 178.136 178.136 176.730 1.406 18805 3014 1 10 . 1 1 37 37 TYR CA C 37 60.808 60.808 61.249 -0.441 18805 3015 1 10 . 1 1 37 37 TYR CB C 37 37.392 37.392 37.958 -0.566 18805 3016 1 10 . 1 1 37 37 TYR H H 37 7.423 7.423 8.425 -1.002 18805 3017 1 10 . 1 1 38 38 ALA N N 38 122.550 122.550 121.611 0.939 18805 3018 1 10 . 1 1 38 38 ALA HA H 38 4.071 4.071 4.031 0.040 18805 3019 1 10 . 1 1 38 38 ALA C C 38 182.258 182.258 179.966 2.292 18805 3020 1 10 . 1 1 38 38 ALA CA C 38 54.885 54.885 54.834 0.051 18805 3021 1 10 . 1 1 38 38 ALA CB C 38 18.336 18.336 17.992 0.344 18805 3022 1 10 . 1 1 38 38 ALA H H 38 8.376 8.376 7.915 0.461 18805 3023 1 10 . 1 1 39 39 ARG N N 39 117.400 117.400 117.255 0.145 18805 3024 1 10 . 1 1 39 39 ARG HA H 39 3.834 3.834 4.071 -0.237 18805 3025 1 10 . 1 1 39 39 ARG C C 39 178.142 178.142 178.875 -0.733 18805 3026 1 10 . 1 1 39 39 ARG CA C 39 60.991 60.991 57.827 3.164 18805 3027 1 10 . 1 1 39 39 ARG CB C 39 31.335 31.335 29.029 2.306 18805 3028 1 10 . 1 1 39 39 ARG H H 39 8.699 8.699 7.853 0.846 18805 3029 1 10 . 1 1 40 40 GLU N N 40 121.231 121.231 120.519 0.712 18805 3030 1 10 . 1 1 40 40 GLU HA H 40 3.943 3.943 4.006 -0.063 18805 3031 1 10 . 1 1 40 40 GLU C C 40 179.598 179.598 179.111 0.487 18805 3032 1 10 . 1 1 40 40 GLU CA C 40 59.805 59.805 59.248 0.557 18805 3033 1 10 . 1 1 40 40 GLU CB C 40 29.508 29.508 28.779 0.730 18805 3034 1 10 . 1 1 40 40 GLU H H 40 8.672 8.672 7.978 0.694 18805 3035 1 10 . 1 1 41 41 GLN N N 41 118.662 118.662 117.640 1.022 18805 3036 1 10 . 1 1 41 41 GLN HA H 41 3.958 3.958 3.995 -0.037 18805 3037 1 10 . 1 1 41 41 GLN C C 41 178.675 178.675 178.715 -0.040 18805 3038 1 10 . 1 1 41 41 GLN CA C 41 58.594 58.594 57.950 0.644 18805 3039 1 10 . 1 1 41 41 GLN CB C 41 28.396 28.396 28.203 0.193 18805 3040 1 10 . 1 1 41 41 GLN H H 41 8.264 8.264 7.477 0.787 18805 3041 1 10 . 1 1 42 42 LEU N N 42 121.044 121.044 121.350 -0.306 18805 3042 1 10 . 1 1 42 42 LEU HA H 42 4.009 4.009 4.018 -0.009 18805 3043 1 10 . 1 1 42 42 LEU C C 42 179.727 179.727 179.165 0.562 18805 3044 1 10 . 1 1 42 42 LEU CA C 42 57.600 57.600 57.458 0.142 18805 3045 1 10 . 1 1 42 42 LEU CB C 42 42.752 42.752 41.508 1.244 18805 3046 1 10 . 1 1 42 42 LEU H H 42 7.909 7.909 7.868 0.041 18805 3047 1 10 . 1 1 43 43 ALA N N 43 124.342 124.342 121.096 3.246 18805 3048 1 10 . 1 1 43 43 ALA HA H 43 3.697 3.697 4.092 -0.395 18805 3049 1 10 . 1 1 43 43 ALA C C 43 179.056 179.056 179.869 -0.813 18805 3050 1 10 . 1 1 43 43 ALA CA C 43 55.561 55.561 54.603 0.958 18805 3051 1 10 . 1 1 43 43 ALA CB C 43 17.186 17.186 18.778 -1.592 18805 3052 1 10 . 1 1 43 43 ALA H H 43 8.647 8.647 7.983 0.664 18805 3053 1 10 . 1 1 44 44 MET N N 44 115.878 115.878 116.645 -0.767 18805 3054 1 10 . 1 1 44 44 MET HA H 44 4.262 4.262 4.100 0.162 18805 3055 1 10 . 1 1 44 44 MET C C 44 179.154 179.154 178.539 0.615 18805 3056 1 10 . 1 1 44 44 MET CA C 44 58.569 58.569 59.017 -0.449 18805 3057 1 10 . 1 1 44 44 MET CB C 44 32.138 32.138 32.719 -0.581 18805 3058 1 10 . 1 1 44 44 MET H H 44 7.926 7.926 7.838 0.088 18805 3059 1 10 . 1 1 45 45 ARG N N 45 116.503 116.503 117.485 -0.982 18805 3060 1 10 . 1 1 45 45 ARG HA H 45 4.402 4.402 4.191 0.211 18805 3061 1 10 . 1 1 45 45 ARG C C 45 177.591 177.591 178.442 -0.851 18805 3062 1 10 . 1 1 45 45 ARG CA C 45 58.315 58.315 58.583 -0.268 18805 3063 1 10 . 1 1 45 45 ARG CB C 45 30.909 30.909 30.624 0.285 18805 3064 1 10 . 1 1 45 45 ARG H H 45 7.903 7.903 7.602 0.301 18805 3065 1 10 . 1 1 46 46 THR N N 46 105.711 105.711 108.897 -3.186 18805 3066 1 10 . 1 1 46 46 THR HA H 46 4.501 4.501 4.482 0.019 18805 3067 1 10 . 1 1 46 46 THR C C 46 174.417 174.417 174.658 -0.241 18805 3068 1 10 . 1 1 46 46 THR CA C 46 61.808 61.808 63.040 -1.232 18805 3069 1 10 . 1 1 46 46 THR CB C 46 70.714 70.714 69.443 1.271 18805 3070 1 10 . 1 1 46 46 THR H H 46 7.662 7.662 7.907 -0.245 18805 3071 1 10 . 1 1 47 47 ASP N N 47 120.391 120.391 117.848 2.543 18805 3072 1 10 . 1 1 47 47 ASP HA H 47 4.472 4.472 4.358 0.114 18805 3073 1 10 . 1 1 47 47 ASP C C 47 174.537 174.537 175.572 -1.035 18805 3074 1 10 . 1 1 47 47 ASP CA C 47 55.933 55.933 55.533 0.400 18805 3075 1 10 . 1 1 47 47 ASP CB C 47 39.565 39.565 39.171 0.394 18805 3076 1 10 . 1 1 47 47 ASP H H 47 7.922 7.922 8.024 -0.102 18805 3077 1 10 . 1 1 48 48 LEU N N 48 118.406 118.406 118.797 -0.391 18805 3078 1 10 . 1 1 48 48 LEU HA H 48 4.891 4.891 4.607 0.284 18805 3079 1 10 . 1 1 48 48 LEU C C 48 176.180 176.180 176.721 -0.541 18805 3080 1 10 . 1 1 48 48 LEU CA C 48 52.943 52.943 53.864 -0.920 18805 3081 1 10 . 1 1 48 48 LEU CB C 48 46.638 46.638 43.536 3.102 18805 3082 1 10 . 1 1 48 48 LEU H H 48 8.072 8.072 7.623 0.449 18805 3083 1 10 . 1 1 49 49 THR N N 49 106.891 106.891 114.665 -7.774 18805 3084 1 10 . 1 1 49 49 THR HA H 49 4.597 4.597 4.605 -0.008 18805 3085 1 10 . 1 1 49 49 THR C C 49 175.667 175.667 174.956 0.711 18805 3086 1 10 . 1 1 49 49 THR CA C 49 59.573 59.573 61.021 -1.448 18805 3087 1 10 . 1 1 49 49 THR CB C 49 71.085 71.085 70.805 0.280 18805 3088 1 10 . 1 1 49 49 THR H H 49 7.071 7.071 8.199 -1.128 18805 3089 1 10 . 1 1 50 50 GLU N N 50 124.013 124.013 127.028 -3.015 18805 3090 1 10 . 1 1 50 50 GLU HA H 50 3.721 3.721 3.838 -0.117 18805 3091 1 10 . 1 1 50 50 GLU C C 50 178.112 178.112 178.145 -0.033 18805 3092 1 10 . 1 1 50 50 GLU CA C 50 60.982 60.982 60.108 0.874 18805 3093 1 10 . 1 1 50 50 GLU CB C 50 28.654 28.654 29.416 -0.762 18805 3094 1 10 . 1 1 50 50 GLU H H 50 9.271 9.271 9.091 0.180 18805 3095 1 10 . 1 1 51 51 ALA N N 51 119.708 119.708 120.458 -0.750 18805 3096 1 10 . 1 1 51 51 ALA HA H 51 4.108 4.108 4.238 -0.130 18805 3097 1 10 . 1 1 51 51 ALA C C 51 180.493 180.493 179.981 0.512 18805 3098 1 10 . 1 1 51 51 ALA CA C 51 55.200 55.200 54.764 0.436 18805 3099 1 10 . 1 1 51 51 ALA CB C 51 18.397 18.397 18.154 0.243 18805 3100 1 10 . 1 1 51 51 ALA H H 51 8.377 8.377 8.433 -0.056 18805 3101 1 10 . 1 1 52 52 ARG N N 52 117.740 117.740 119.509 -1.769 18805 3102 1 10 . 1 1 52 52 ARG HA H 52 4.213 4.213 4.284 -0.071 18805 3103 1 10 . 1 1 52 52 ARG C C 52 179.734 179.734 178.907 0.827 18805 3104 1 10 . 1 1 52 52 ARG CA C 52 59.006 59.006 59.029 -0.023 18805 3105 1 10 . 1 1 52 52 ARG CB C 52 30.626 30.626 30.527 0.099 18805 3106 1 10 . 1 1 52 52 ARG H H 52 7.756 7.756 7.747 0.009 18805 3107 1 10 . 1 1 53 53 VAL N N 53 120.607 120.607 120.768 -0.161 18805 3108 1 10 . 1 1 53 53 VAL HA H 53 3.706 3.706 3.786 -0.080 18805 3109 1 10 . 1 1 53 53 VAL C C 53 177.734 177.734 178.490 -0.756 18805 3110 1 10 . 1 1 53 53 VAL CA C 53 67.350 67.350 66.410 0.940 18805 3111 1 10 . 1 1 53 53 VAL CB C 53 31.900 31.900 31.162 0.738 18805 3112 1 10 . 1 1 53 53 VAL H H 53 8.206 8.206 8.346 -0.140 18805 3113 1 10 . 1 1 54 54 GLN N N 54 119.441 119.441 118.957 0.484 18805 3114 1 10 . 1 1 54 54 GLN HA H 54 4.401 4.401 4.192 0.209 18805 3115 1 10 . 1 1 54 54 GLN C C 54 179.055 179.055 179.131 -0.076 18805 3116 1 10 . 1 1 54 54 GLN CA C 54 60.036 60.036 59.136 0.900 18805 3117 1 10 . 1 1 54 54 GLN CB C 54 28.509 28.509 28.444 0.065 18805 3118 1 10 . 1 1 54 54 GLN H H 54 8.747 8.747 8.181 0.566 18805 3119 1 10 . 1 1 55 55 VAL N N 55 119.951 119.951 119.237 0.714 18805 3120 1 10 . 1 1 55 55 VAL HA H 55 3.783 3.783 3.761 0.022 18805 3121 1 10 . 1 1 55 55 VAL C C 55 177.751 177.751 177.852 -0.101 18805 3122 1 10 . 1 1 55 55 VAL CA C 55 66.575 66.575 66.878 -0.303 18805 3123 1 10 . 1 1 55 55 VAL CB C 55 32.017 32.017 31.331 0.686 18805 3124 1 10 . 1 1 55 55 VAL H H 55 7.973 7.973 7.826 0.147 18805 3125 1 10 . 1 1 56 56 TRP N N 56 121.386 121.386 121.913 -0.527 18805 3126 1 10 . 1 1 56 56 TRP HA H 56 4.075 4.075 4.248 -0.173 18805 3127 1 10 . 1 1 56 56 TRP C C 56 179.849 179.849 177.637 2.212 18805 3128 1 10 . 1 1 56 56 TRP CA C 56 63.249 63.249 61.977 1.272 18805 3129 1 10 . 1 1 56 56 TRP CB C 56 28.266 28.266 29.331 -1.065 18805 3130 1 10 . 1 1 56 56 TRP H H 56 8.351 8.351 7.646 0.705 18805 3131 1 10 . 1 1 57 57 PHE N N 57 118.444 118.444 116.717 1.727 18805 3132 1 10 . 1 1 57 57 PHE HA H 57 3.629 3.629 3.951 -0.322 18805 3133 1 10 . 1 1 57 57 PHE C C 57 178.058 178.058 178.218 -0.160 18805 3134 1 10 . 1 1 57 57 PHE CA C 57 63.831 63.831 61.762 2.069 18805 3135 1 10 . 1 1 57 57 PHE CB C 57 39.161 39.161 38.542 0.619 18805 3136 1 10 . 1 1 57 57 PHE H H 57 8.924 8.924 8.154 0.770 18805 3137 1 10 . 1 1 58 58 GLN N N 58 119.552 119.552 119.143 0.409 18805 3138 1 10 . 1 1 58 58 GLN HA H 58 3.958 3.958 4.095 -0.137 18805 3139 1 10 . 1 1 58 58 GLN C C 58 179.475 179.475 178.795 0.680 18805 3140 1 10 . 1 1 58 58 GLN CA C 58 59.730 59.730 58.655 1.075 18805 3141 1 10 . 1 1 58 58 GLN CB C 58 28.108 28.108 27.888 0.220 18805 3142 1 10 . 1 1 58 58 GLN H H 58 8.322 8.322 8.403 -0.081 18805 3143 1 10 . 1 1 59 59 ASN N N 59 119.095 119.095 118.713 0.382 18805 3144 1 10 . 1 1 59 59 ASN HA H 59 4.344 4.344 4.421 -0.077 18805 3145 1 10 . 1 1 59 59 ASN C C 59 177.212 177.212 177.813 -0.601 18805 3146 1 10 . 1 1 59 59 ASN CA C 59 55.536 55.536 55.997 -0.461 18805 3147 1 10 . 1 1 59 59 ASN CB C 59 37.920 37.920 38.229 -0.309 18805 3148 1 10 . 1 1 59 59 ASN H H 59 8.158 8.158 7.791 0.367 18805 3149 1 10 . 1 1 60 60 ARG N N 60 124.480 124.480 120.904 3.576 18805 3150 1 10 . 1 1 60 60 ARG HA H 60 3.383 3.383 3.748 -0.365 18805 3151 1 10 . 1 1 60 60 ARG C C 60 179.622 179.622 178.759 0.863 18805 3152 1 10 . 1 1 60 60 ARG CA C 60 56.532 56.532 58.453 -1.921 18805 3153 1 10 . 1 1 60 60 ARG CB C 60 27.904 27.904 29.234 -1.330 18805 3154 1 10 . 1 1 60 60 ARG H H 60 8.494 8.494 7.699 0.795 18805 3155 1 10 . 1 1 61 61 ARG N N 61 118.870 118.870 118.934 -0.064 18805 3156 1 10 . 1 1 61 61 ARG HA H 61 3.946 3.946 4.516 -0.570 18805 3157 1 10 . 1 1 61 61 ARG C C 61 178.392 178.392 178.681 -0.289 18805 3158 1 10 . 1 1 61 61 ARG CA C 61 60.599 60.599 58.801 1.798 18805 3159 1 10 . 1 1 61 61 ARG CB C 61 31.546 31.546 30.280 1.266 18805 3160 1 10 . 1 1 61 61 ARG H H 61 8.310 8.310 8.052 0.258 18805 3161 1 10 . 1 1 62 62 ALA N N 62 121.373 121.373 123.168 -1.795 18805 3162 1 10 . 1 1 62 62 ALA HA H 62 4.163 4.163 4.199 -0.036 18805 3163 1 10 . 1 1 62 62 ALA C C 62 179.899 179.899 178.061 1.838 18805 3164 1 10 . 1 1 62 62 ALA CA C 62 55.109 55.109 54.930 0.179 18805 3165 1 10 . 1 1 62 62 ALA CB C 62 17.754 17.754 18.614 -0.860 18805 3166 1 10 . 1 1 62 62 ALA H H 62 7.382 7.382 7.695 -0.313 18805 3167 1 10 . 1 1 63 63 LYS N N 63 118.540 118.540 115.690 2.850 18805 3168 1 10 . 1 1 63 63 LYS HA H 63 3.986 3.986 4.157 -0.171 18805 3169 1 10 . 1 1 63 63 LYS C C 63 178.259 178.259 178.158 0.101 18805 3170 1 10 . 1 1 63 63 LYS CA C 63 58.727 58.727 58.230 0.497 18805 3171 1 10 . 1 1 63 63 LYS CB C 63 32.634 32.634 32.575 0.059 18805 3172 1 10 . 1 1 63 63 LYS H H 63 7.573 7.573 7.757 -0.184 18805 3173 1 10 . 1 1 64 64 TRP N N 64 121.094 121.094 120.399 0.695 18805 3174 1 10 . 1 1 64 64 TRP HA H 64 4.436 4.436 4.417 0.019 18805 3175 1 10 . 1 1 64 64 TRP C C 64 177.662 177.662 176.490 1.172 18805 3176 1 10 . 1 1 64 64 TRP CA C 64 60.130 60.130 59.267 0.863 18805 3177 1 10 . 1 1 64 64 TRP CB C 64 29.138 29.138 30.178 -1.040 18805 3178 1 10 . 1 1 64 64 TRP H H 64 8.032 8.032 7.756 0.276 18805 3179 1 10 . 1 1 65 65 ARG N N 65 118.674 118.674 117.634 1.040 18805 3180 1 10 . 1 1 65 65 ARG HA H 65 3.783 3.783 4.446 -0.663 18805 3181 1 10 . 1 1 65 65 ARG C C 65 177.342 177.342 176.057 1.285 18805 3182 1 10 . 1 1 65 65 ARG CA C 65 58.290 58.290 55.563 2.727 18805 3183 1 10 . 1 1 65 65 ARG CB C 65 30.580 30.580 31.607 -1.027 18805 3184 1 10 . 1 1 65 65 ARG H H 65 8.232 8.232 7.778 0.454 18805 3185 1 10 . 1 1 66 66 LYS N N 66 118.567 118.567 118.417 0.150 18805 3186 1 10 . 1 1 66 66 LYS HA H 66 4.122 4.122 4.142 -0.020 18805 3187 1 10 . 1 1 66 66 LYS C C 66 177.060 177.060 177.051 0.009 18805 3188 1 10 . 1 1 66 66 LYS CA C 66 57.389 57.389 57.281 0.108 18805 3189 1 10 . 1 1 66 66 LYS CB C 66 32.659 32.659 32.495 0.164 18805 3190 1 10 . 1 1 66 66 LYS H H 66 7.591 7.591 8.488 -0.897 18805 3191 1 10 . 1 1 67 67 ARG N N 67 119.185 119.185 120.042 -0.857 18805 3192 1 10 . 1 1 67 67 ARG HA H 67 4.183 4.183 4.564 -0.382 18805 3193 1 10 . 1 1 67 67 ARG C C 67 176.830 176.830 175.646 1.184 18805 3194 1 10 . 1 1 67 67 ARG CA C 67 56.879 56.879 55.495 1.384 18805 3195 1 10 . 1 1 67 67 ARG CB C 67 30.226 30.226 32.297 -2.071 18805 3196 1 10 . 1 1 67 67 ARG H H 67 7.722 7.722 7.986 -0.264 18805 3197 1 10 . 1 1 68 68 GLU N N 68 120.614 120.614 122.661 -2.047 18805 3198 1 10 . 1 1 68 68 GLU HA H 68 4.087 4.087 4.208 -0.121 18805 3199 1 10 . 1 1 68 68 GLU C C 68 176.803 176.803 176.646 0.157 18805 3200 1 10 . 1 1 68 68 GLU CA C 68 57.076 57.076 57.901 -0.825 18805 3201 1 10 . 1 1 68 68 GLU CB C 68 30.099 30.099 30.136 -0.037 18805 3202 1 10 . 1 1 68 68 GLU H H 68 8.157 8.157 8.788 -0.631 18805 3203 1 10 . 1 1 69 69 ARG N N 69 120.012 120.012 119.672 0.340 18805 3204 1 10 . 1 1 69 69 ARG C C 69 176.270 176.270 175.994 0.276 18805 3205 1 10 . 1 1 69 69 ARG CA C 69 66.543 66.543 55.402 11.141 18805 3206 1 10 . 1 1 69 69 ARG CB C 69 32.203 32.203 30.547 1.656 18805 3207 1 10 . 1 1 69 69 ARG H H 69 7.974 7.974 7.962 0.012 18805 3208 1 10 . 1 1 70 70 PHE HA H 70 4.577 4.577 4.248 0.329 18805 3209 1 10 . 1 1 70 70 PHE CA C 70 58.021 58.021 59.260 -1.239 18805 3210 1 10 . 1 1 70 70 PHE CB C 70 39.295 39.295 39.904 -0.609 18805 3211 1 11 . 1 1 16 16 PHE HA H 16 5.000 5.000 5.229 -0.229 18805 3212 1 11 . 1 1 16 16 PHE C C 16 176.744 176.744 176.065 0.679 18805 3213 1 11 . 1 1 16 16 PHE CA C 16 57.425 57.425 56.512 0.913 18805 3214 1 11 . 1 1 16 16 PHE CB C 16 41.475 41.475 41.234 0.241 18805 3215 1 11 . 1 1 16 16 PHE H H 16 9.114 9.114 7.961 1.153 18805 3216 1 11 . 1 1 17 17 THR N N 17 113.394 113.394 116.067 -2.673 18805 3217 1 11 . 1 1 17 17 THR HA H 17 4.552 4.552 4.509 0.043 18805 3218 1 11 . 1 1 17 17 THR C C 17 175.352 175.352 175.960 -0.608 18805 3219 1 11 . 1 1 17 17 THR CA C 17 60.392 60.392 61.160 -0.768 18805 3220 1 11 . 1 1 17 17 THR CB C 17 71.013 71.013 70.507 0.506 18805 3221 1 11 . 1 1 17 17 THR H H 17 9.106 9.106 9.060 0.046 18805 3222 1 11 . 1 1 18 18 SER HA H 18 4.146 4.146 4.182 -0.036 18805 3223 1 11 . 1 1 18 18 SER C C 18 176.860 176.860 176.599 0.261 18805 3224 1 11 . 1 1 18 18 SER CA C 18 62.173 62.173 62.746 -0.573 18805 3225 1 11 . 1 1 18 18 SER CB C 18 62.172 62.172 62.727 -0.555 18805 3226 1 11 . 1 1 19 19 TYR N N 19 121.561 121.561 123.006 -1.445 18805 3227 1 11 . 1 1 19 19 TYR HA H 19 4.340 4.340 4.541 -0.201 18805 3228 1 11 . 1 1 19 19 TYR C C 19 176.860 176.860 177.820 -0.960 18805 3229 1 11 . 1 1 19 19 TYR CA C 19 60.736 60.736 60.742 -0.006 18805 3230 1 11 . 1 1 19 19 TYR CB C 19 38.557 38.557 38.100 0.457 18805 3231 1 11 . 1 1 19 19 TYR H H 19 8.145 8.145 8.274 -0.129 18805 3232 1 11 . 1 1 20 20 GLN N N 20 116.967 116.967 118.913 -1.946 18805 3233 1 11 . 1 1 20 20 GLN HA H 20 3.359 3.359 3.709 -0.350 18805 3234 1 11 . 1 1 20 20 GLN C C 20 177.344 177.344 178.140 -0.796 18805 3235 1 11 . 1 1 20 20 GLN CA C 20 59.633 59.633 59.102 0.531 18805 3236 1 11 . 1 1 20 20 GLN CB C 20 27.866 27.866 28.622 -0.756 18805 3237 1 11 . 1 1 20 20 GLN H H 20 7.545 7.545 7.716 -0.171 18805 3238 1 11 . 1 1 21 21 LEU N N 21 115.751 115.751 118.855 -3.104 18805 3239 1 11 . 1 1 21 21 LEU HA H 21 3.532 3.532 3.651 -0.119 18805 3240 1 11 . 1 1 21 21 LEU C C 21 178.858 178.858 178.957 -0.099 18805 3241 1 11 . 1 1 21 21 LEU CA C 21 57.774 57.774 57.480 0.294 18805 3242 1 11 . 1 1 21 21 LEU CB C 21 41.660 41.660 41.662 -0.002 18805 3243 1 11 . 1 1 21 21 LEU H H 21 8.116 8.116 8.036 0.080 18805 3244 1 11 . 1 1 22 22 GLU N N 22 118.939 118.939 119.440 -0.501 18805 3245 1 11 . 1 1 22 22 GLU HA H 22 3.876 3.876 3.897 -0.021 18805 3246 1 11 . 1 1 22 22 GLU C C 22 179.617 179.617 179.228 0.389 18805 3247 1 11 . 1 1 22 22 GLU CA C 22 59.244 59.244 59.545 -0.301 18805 3248 1 11 . 1 1 22 22 GLU CB C 22 29.454 29.454 29.222 0.232 18805 3249 1 11 . 1 1 22 22 GLU H H 22 8.108 8.108 7.613 0.495 18805 3250 1 11 . 1 1 23 23 GLU N N 23 117.643 117.643 119.128 -1.485 18805 3251 1 11 . 1 1 23 23 GLU HA H 23 3.699 3.699 3.959 -0.260 18805 3252 1 11 . 1 1 23 23 GLU C C 23 179.328 179.328 178.996 0.332 18805 3253 1 11 . 1 1 23 23 GLU CA C 23 58.616 58.616 58.378 0.238 18805 3254 1 11 . 1 1 23 23 GLU CB C 23 29.191 29.191 29.003 0.188 18805 3255 1 11 . 1 1 23 23 GLU H H 23 7.631 7.631 7.434 0.197 18805 3256 1 11 . 1 1 24 24 LEU N N 24 122.218 122.218 119.968 2.250 18805 3257 1 11 . 1 1 24 24 LEU HA H 24 3.490 3.490 3.494 -0.004 18805 3258 1 11 . 1 1 24 24 LEU C C 24 177.731 177.731 178.752 -1.021 18805 3259 1 11 . 1 1 24 24 LEU CA C 24 58.732 58.732 57.839 0.893 18805 3260 1 11 . 1 1 24 24 LEU CB C 24 38.207 38.207 40.404 -2.197 18805 3261 1 11 . 1 1 24 24 LEU H H 24 7.995 7.995 7.453 0.542 18805 3262 1 11 . 1 1 25 25 GLU N N 25 118.406 118.406 117.927 0.479 18805 3263 1 11 . 1 1 25 25 GLU HA H 25 4.278 4.278 4.135 0.143 18805 3264 1 11 . 1 1 25 25 GLU C C 25 179.059 179.059 178.848 0.211 18805 3265 1 11 . 1 1 25 25 GLU CA C 25 58.612 58.612 59.337 -0.725 18805 3266 1 11 . 1 1 25 25 GLU CB C 25 28.957 28.957 29.140 -0.183 18805 3267 1 11 . 1 1 25 25 GLU H H 25 7.833 7.833 7.802 0.031 18805 3268 1 11 . 1 1 26 26 LYS N N 26 118.033 118.033 120.202 -2.169 18805 3269 1 11 . 1 1 26 26 LYS HA H 26 3.978 3.978 4.040 -0.062 18805 3270 1 11 . 1 1 26 26 LYS C C 26 180.388 180.388 179.354 1.034 18805 3271 1 11 . 1 1 26 26 LYS CA C 26 59.919 59.919 59.395 0.523 18805 3272 1 11 . 1 1 26 26 LYS CB C 26 32.821 32.821 32.309 0.512 18805 3273 1 11 . 1 1 26 26 LYS H H 26 7.795 7.795 7.658 0.137 18805 3274 1 11 . 1 1 27 27 VAL N N 27 118.207 118.207 118.318 -0.111 18805 3275 1 11 . 1 1 27 27 VAL HA H 27 3.853 3.853 3.772 0.081 18805 3276 1 11 . 1 1 27 27 VAL C C 27 177.057 177.057 177.814 -0.757 18805 3277 1 11 . 1 1 27 27 VAL CA C 27 66.944 66.944 65.606 1.338 18805 3278 1 11 . 1 1 27 27 VAL CB C 27 31.034 31.034 31.975 -0.941 18805 3279 1 11 . 1 1 27 27 VAL H H 27 7.316 7.316 7.458 -0.142 18805 3280 1 11 . 1 1 28 28 PHE N N 28 122.791 122.791 121.403 1.388 18805 3281 1 11 . 1 1 28 28 PHE HA H 28 4.744 4.744 4.932 -0.188 18805 3282 1 11 . 1 1 28 28 PHE C C 28 175.721 175.721 176.754 -1.033 18805 3283 1 11 . 1 1 28 28 PHE CA C 28 61.452 61.452 60.656 0.796 18805 3284 1 11 . 1 1 28 28 PHE CB C 28 38.872 38.872 39.532 -0.660 18805 3285 1 11 . 1 1 28 28 PHE H H 28 8.540 8.540 7.813 0.727 18805 3286 1 11 . 1 1 29 29 GLN N N 29 112.048 112.048 115.881 -3.833 18805 3287 1 11 . 1 1 29 29 GLN HA H 29 3.843 3.843 4.094 -0.251 18805 3288 1 11 . 1 1 29 29 GLN C C 29 177.467 177.467 176.994 0.473 18805 3289 1 11 . 1 1 29 29 GLN CA C 29 57.595 57.595 57.002 0.593 18805 3290 1 11 . 1 1 29 29 GLN CB C 29 28.204 28.204 28.565 -0.361 18805 3291 1 11 . 1 1 29 29 GLN H H 29 8.129 8.129 8.226 -0.097 18805 3292 1 11 . 1 1 30 30 LYS N N 30 118.854 118.854 118.531 0.323 18805 3293 1 11 . 1 1 30 30 LYS HA H 30 4.260 4.260 4.237 0.023 18805 3294 1 11 . 1 1 30 30 LYS C C 30 176.920 176.920 176.875 0.045 18805 3295 1 11 . 1 1 30 30 LYS CA C 30 57.449 57.449 57.381 0.068 18805 3296 1 11 . 1 1 30 30 LYS CB C 30 33.450 33.450 33.712 -0.262 18805 3297 1 11 . 1 1 30 30 LYS H H 30 7.599 7.599 7.690 -0.091 18805 3298 1 11 . 1 1 31 31 THR N N 31 115.210 115.210 112.554 2.656 18805 3299 1 11 . 1 1 31 31 THR HA H 31 4.279 4.279 4.207 0.072 18805 3300 1 11 . 1 1 31 31 THR C C 31 171.092 171.092 173.846 -2.754 18805 3301 1 11 . 1 1 31 31 THR CA C 31 59.113 59.113 60.366 -1.253 18805 3302 1 11 . 1 1 31 31 THR CB C 31 69.375 69.375 70.035 -0.660 18805 3303 1 11 . 1 1 31 31 THR H H 31 8.840 8.840 7.950 0.890 18805 3304 1 11 . 1 1 32 32 HIS N N 32 123.048 123.048 125.480 -2.432 18805 3305 1 11 . 1 1 32 32 HIS HA H 32 4.343 4.343 4.140 0.203 18805 3306 1 11 . 1 1 32 32 HIS C C 32 174.598 174.598 174.855 -0.257 18805 3307 1 11 . 1 1 32 32 HIS CA C 32 55.323 55.323 56.583 -1.260 18805 3308 1 11 . 1 1 32 32 HIS CB C 32 30.975 30.975 29.570 1.405 18805 3309 1 11 . 1 1 32 32 HIS H H 32 8.342 8.342 8.257 0.085 18805 3310 1 11 . 1 1 33 33 TYR N N 33 114.650 114.650 120.157 -5.507 18805 3311 1 11 . 1 1 33 33 TYR HA H 33 4.703 4.703 4.684 0.019 18805 3312 1 11 . 1 1 33 33 TYR C C 33 172.558 172.558 173.176 -0.618 18805 3313 1 11 . 1 1 33 33 TYR CA C 33 55.146 55.146 54.875 0.271 18805 3314 1 11 . 1 1 33 33 TYR CB C 33 38.868 38.868 38.706 0.162 18805 3315 1 11 . 1 1 33 33 TYR H H 33 8.109 8.109 7.394 0.715 18805 3316 1 11 . 1 1 34 34 PRO HA H 34 4.273 4.273 4.322 -0.049 18805 3317 1 11 . 1 1 34 34 PRO C C 34 177.097 177.097 176.629 0.468 18805 3318 1 11 . 1 1 34 34 PRO CA C 34 62.413 62.413 62.483 -0.070 18805 3319 1 11 . 1 1 34 34 PRO CB C 34 30.790 30.790 32.360 -1.570 18805 3320 1 11 . 1 1 35 35 ASP N N 35 124.197 124.197 123.390 0.807 18805 3321 1 11 . 1 1 35 35 ASP HA H 35 4.447 4.447 4.440 0.007 18805 3322 1 11 . 1 1 35 35 ASP C C 35 175.603 175.603 177.726 -2.123 18805 3323 1 11 . 1 1 35 35 ASP CA C 35 52.685 52.685 54.986 -2.301 18805 3324 1 11 . 1 1 35 35 ASP CB C 35 40.952 40.952 41.515 -0.563 18805 3325 1 11 . 1 1 35 35 ASP H H 35 8.547 8.547 8.180 0.367 18805 3326 1 11 . 1 1 36 36 VAL N N 36 118.006 118.006 121.781 -3.775 18805 3327 1 11 . 1 1 36 36 VAL HA H 36 3.473 3.473 3.779 -0.306 18805 3328 1 11 . 1 1 36 36 VAL C C 36 176.268 176.268 177.036 -0.768 18805 3329 1 11 . 1 1 36 36 VAL CA C 36 66.404 66.404 65.733 0.671 18805 3330 1 11 . 1 1 36 36 VAL CB C 36 31.419 31.419 32.082 -0.663 18805 3331 1 11 . 1 1 36 36 VAL H H 36 8.281 8.281 8.371 -0.090 18805 3332 1 11 . 1 1 37 37 TYR N N 37 121.225 121.225 120.148 1.077 18805 3333 1 11 . 1 1 37 37 TYR HA H 37 4.305 4.305 4.492 -0.187 18805 3334 1 11 . 1 1 37 37 TYR C C 37 178.136 178.136 177.314 0.822 18805 3335 1 11 . 1 1 37 37 TYR CA C 37 60.808 60.808 61.438 -0.631 18805 3336 1 11 . 1 1 37 37 TYR CB C 37 37.392 37.392 37.529 -0.137 18805 3337 1 11 . 1 1 37 37 TYR H H 37 7.423 7.423 8.348 -0.925 18805 3338 1 11 . 1 1 38 38 ALA N N 38 122.550 122.550 121.191 1.359 18805 3339 1 11 . 1 1 38 38 ALA HA H 38 4.071 4.071 4.057 0.014 18805 3340 1 11 . 1 1 38 38 ALA C C 38 182.258 182.258 179.981 2.277 18805 3341 1 11 . 1 1 38 38 ALA CA C 38 54.885 54.885 55.066 -0.181 18805 3342 1 11 . 1 1 38 38 ALA CB C 38 18.336 18.336 17.960 0.376 18805 3343 1 11 . 1 1 38 38 ALA H H 38 8.376 8.376 8.455 -0.079 18805 3344 1 11 . 1 1 39 39 ARG N N 39 117.400 117.400 118.421 -1.021 18805 3345 1 11 . 1 1 39 39 ARG HA H 39 3.834 3.834 3.959 -0.125 18805 3346 1 11 . 1 1 39 39 ARG C C 39 178.142 178.142 178.885 -0.743 18805 3347 1 11 . 1 1 39 39 ARG CA C 39 60.991 60.991 59.716 1.275 18805 3348 1 11 . 1 1 39 39 ARG CB C 39 31.335 31.335 30.130 1.205 18805 3349 1 11 . 1 1 39 39 ARG H H 39 8.699 8.699 8.172 0.527 18805 3350 1 11 . 1 1 40 40 GLU N N 40 121.231 121.231 120.114 1.117 18805 3351 1 11 . 1 1 40 40 GLU HA H 40 3.943 3.943 3.955 -0.012 18805 3352 1 11 . 1 1 40 40 GLU C C 40 179.598 179.598 179.318 0.280 18805 3353 1 11 . 1 1 40 40 GLU CA C 40 59.805 59.805 59.347 0.458 18805 3354 1 11 . 1 1 40 40 GLU CB C 40 29.508 29.508 29.262 0.246 18805 3355 1 11 . 1 1 40 40 GLU H H 40 8.672 8.672 7.707 0.965 18805 3356 1 11 . 1 1 41 41 GLN N N 41 118.662 118.662 117.215 1.447 18805 3357 1 11 . 1 1 41 41 GLN HA H 41 3.958 3.958 4.027 -0.069 18805 3358 1 11 . 1 1 41 41 GLN C C 41 178.675 178.675 178.812 -0.137 18805 3359 1 11 . 1 1 41 41 GLN CA C 41 58.594 58.594 57.571 1.023 18805 3360 1 11 . 1 1 41 41 GLN CB C 41 28.396 28.396 28.310 0.086 18805 3361 1 11 . 1 1 41 41 GLN H H 41 8.264 8.264 7.794 0.470 18805 3362 1 11 . 1 1 42 42 LEU N N 42 121.044 121.044 121.048 -0.004 18805 3363 1 11 . 1 1 42 42 LEU HA H 42 4.009 4.009 4.043 -0.034 18805 3364 1 11 . 1 1 42 42 LEU C C 42 179.727 179.727 178.212 1.515 18805 3365 1 11 . 1 1 42 42 LEU CA C 42 57.600 57.600 56.824 0.776 18805 3366 1 11 . 1 1 42 42 LEU CB C 42 42.752 42.752 41.355 1.397 18805 3367 1 11 . 1 1 42 42 LEU H H 42 7.909 7.909 7.875 0.034 18805 3368 1 11 . 1 1 43 43 ALA N N 43 124.342 124.342 122.128 2.214 18805 3369 1 11 . 1 1 43 43 ALA HA H 43 3.697 3.697 4.049 -0.352 18805 3370 1 11 . 1 1 43 43 ALA C C 43 179.056 179.056 179.684 -0.628 18805 3371 1 11 . 1 1 43 43 ALA CA C 43 55.561 55.561 54.708 0.853 18805 3372 1 11 . 1 1 43 43 ALA CB C 43 17.186 17.186 18.559 -1.373 18805 3373 1 11 . 1 1 43 43 ALA H H 43 8.647 8.647 7.935 0.712 18805 3374 1 11 . 1 1 44 44 MET N N 44 115.878 115.878 115.692 0.186 18805 3375 1 11 . 1 1 44 44 MET HA H 44 4.262 4.262 4.160 0.102 18805 3376 1 11 . 1 1 44 44 MET C C 44 179.154 179.154 177.978 1.176 18805 3377 1 11 . 1 1 44 44 MET CA C 44 58.569 58.569 58.432 0.137 18805 3378 1 11 . 1 1 44 44 MET CB C 44 32.138 32.138 32.613 -0.475 18805 3379 1 11 . 1 1 44 44 MET H H 44 7.926 7.926 7.511 0.415 18805 3380 1 11 . 1 1 45 45 ARG N N 45 116.503 116.503 115.741 0.762 18805 3381 1 11 . 1 1 45 45 ARG HA H 45 4.402 4.402 4.258 0.144 18805 3382 1 11 . 1 1 45 45 ARG C C 45 177.591 177.591 178.183 -0.592 18805 3383 1 11 . 1 1 45 45 ARG CA C 45 58.315 58.315 57.968 0.347 18805 3384 1 11 . 1 1 45 45 ARG CB C 45 30.909 30.909 30.539 0.370 18805 3385 1 11 . 1 1 45 45 ARG H H 45 7.903 7.903 7.637 0.266 18805 3386 1 11 . 1 1 46 46 THR N N 46 105.711 105.711 108.218 -2.507 18805 3387 1 11 . 1 1 46 46 THR HA H 46 4.501 4.501 4.475 0.026 18805 3388 1 11 . 1 1 46 46 THR C C 46 174.417 174.417 174.153 0.264 18805 3389 1 11 . 1 1 46 46 THR CA C 46 61.808 61.808 61.715 0.093 18805 3390 1 11 . 1 1 46 46 THR CB C 46 70.714 70.714 69.387 1.327 18805 3391 1 11 . 1 1 46 46 THR H H 46 7.662 7.662 7.860 -0.198 18805 3392 1 11 . 1 1 47 47 ASP N N 47 120.391 120.391 117.949 2.442 18805 3393 1 11 . 1 1 47 47 ASP HA H 47 4.472 4.472 4.398 0.074 18805 3394 1 11 . 1 1 47 47 ASP C C 47 174.537 174.537 175.940 -1.403 18805 3395 1 11 . 1 1 47 47 ASP CA C 47 55.933 55.933 55.942 -0.009 18805 3396 1 11 . 1 1 47 47 ASP CB C 47 39.565 39.565 39.875 -0.310 18805 3397 1 11 . 1 1 47 47 ASP H H 47 7.922 7.922 8.046 -0.124 18805 3398 1 11 . 1 1 48 48 LEU N N 48 118.406 118.406 118.048 0.358 18805 3399 1 11 . 1 1 48 48 LEU HA H 48 4.891 4.891 4.463 0.428 18805 3400 1 11 . 1 1 48 48 LEU C C 48 176.180 176.180 175.971 0.209 18805 3401 1 11 . 1 1 48 48 LEU CA C 48 52.943 52.943 54.426 -1.483 18805 3402 1 11 . 1 1 48 48 LEU CB C 48 46.638 46.638 43.636 3.002 18805 3403 1 11 . 1 1 48 48 LEU H H 48 8.072 8.072 7.310 0.762 18805 3404 1 11 . 1 1 49 49 THR N N 49 106.891 106.891 112.999 -6.108 18805 3405 1 11 . 1 1 49 49 THR HA H 49 4.597 4.597 4.547 0.050 18805 3406 1 11 . 1 1 49 49 THR C C 49 175.667 175.667 174.568 1.099 18805 3407 1 11 . 1 1 49 49 THR CA C 49 59.573 59.573 60.513 -0.939 18805 3408 1 11 . 1 1 49 49 THR CB C 49 71.085 71.085 71.053 0.032 18805 3409 1 11 . 1 1 49 49 THR H H 49 7.071 7.071 7.824 -0.753 18805 3410 1 11 . 1 1 50 50 GLU N N 50 124.013 124.013 123.616 0.397 18805 3411 1 11 . 1 1 50 50 GLU HA H 50 3.721 3.721 3.850 -0.129 18805 3412 1 11 . 1 1 50 50 GLU C C 50 178.112 178.112 178.528 -0.416 18805 3413 1 11 . 1 1 50 50 GLU CA C 50 60.982 60.982 60.428 0.553 18805 3414 1 11 . 1 1 50 50 GLU CB C 50 28.654 28.654 29.714 -1.060 18805 3415 1 11 . 1 1 50 50 GLU H H 50 9.271 9.271 8.886 0.385 18805 3416 1 11 . 1 1 51 51 ALA N N 51 119.708 119.708 121.339 -1.631 18805 3417 1 11 . 1 1 51 51 ALA HA H 51 4.108 4.108 4.155 -0.047 18805 3418 1 11 . 1 1 51 51 ALA C C 51 180.493 180.493 180.193 0.300 18805 3419 1 11 . 1 1 51 51 ALA CA C 51 55.200 55.200 55.105 0.095 18805 3420 1 11 . 1 1 51 51 ALA CB C 51 18.397 18.397 18.117 0.279 18805 3421 1 11 . 1 1 51 51 ALA H H 51 8.377 8.377 8.499 -0.122 18805 3422 1 11 . 1 1 52 52 ARG N N 52 117.740 117.740 118.632 -0.892 18805 3423 1 11 . 1 1 52 52 ARG HA H 52 4.213 4.213 4.319 -0.106 18805 3424 1 11 . 1 1 52 52 ARG C C 52 179.734 179.734 179.194 0.540 18805 3425 1 11 . 1 1 52 52 ARG CA C 52 59.006 59.006 58.169 0.837 18805 3426 1 11 . 1 1 52 52 ARG CB C 52 30.626 30.626 29.785 0.841 18805 3427 1 11 . 1 1 52 52 ARG H H 52 7.756 7.756 7.847 -0.091 18805 3428 1 11 . 1 1 53 53 VAL N N 53 120.607 120.607 121.103 -0.496 18805 3429 1 11 . 1 1 53 53 VAL HA H 53 3.706 3.706 3.787 -0.081 18805 3430 1 11 . 1 1 53 53 VAL C C 53 177.734 177.734 178.051 -0.317 18805 3431 1 11 . 1 1 53 53 VAL CA C 53 67.350 67.350 66.438 0.912 18805 3432 1 11 . 1 1 53 53 VAL CB C 53 31.900 31.900 31.161 0.739 18805 3433 1 11 . 1 1 53 53 VAL H H 53 8.206 8.206 8.074 0.132 18805 3434 1 11 . 1 1 54 54 GLN N N 54 119.441 119.441 119.614 -0.173 18805 3435 1 11 . 1 1 54 54 GLN HA H 54 4.401 4.401 4.091 0.310 18805 3436 1 11 . 1 1 54 54 GLN C C 54 179.055 179.055 179.020 0.035 18805 3437 1 11 . 1 1 54 54 GLN CA C 54 60.036 60.036 59.367 0.669 18805 3438 1 11 . 1 1 54 54 GLN CB C 54 28.509 28.509 28.736 -0.227 18805 3439 1 11 . 1 1 54 54 GLN H H 54 8.747 8.747 7.946 0.801 18805 3440 1 11 . 1 1 55 55 VAL N N 55 119.951 119.951 119.198 0.753 18805 3441 1 11 . 1 1 55 55 VAL HA H 55 3.783 3.783 4.098 -0.315 18805 3442 1 11 . 1 1 55 55 VAL C C 55 177.751 177.751 178.090 -0.339 18805 3443 1 11 . 1 1 55 55 VAL CA C 55 66.575 66.575 66.835 -0.260 18805 3444 1 11 . 1 1 55 55 VAL CB C 55 32.017 32.017 31.553 0.464 18805 3445 1 11 . 1 1 55 55 VAL H H 55 7.973 7.973 8.267 -0.294 18805 3446 1 11 . 1 1 56 56 TRP N N 56 121.386 121.386 121.856 -0.470 18805 3447 1 11 . 1 1 56 56 TRP HA H 56 4.075 4.075 4.124 -0.049 18805 3448 1 11 . 1 1 56 56 TRP C C 56 179.849 179.849 178.041 1.808 18805 3449 1 11 . 1 1 56 56 TRP CA C 56 63.249 63.249 61.622 1.627 18805 3450 1 11 . 1 1 56 56 TRP CB C 56 28.266 28.266 29.313 -1.047 18805 3451 1 11 . 1 1 56 56 TRP H H 56 8.351 8.351 7.709 0.642 18805 3452 1 11 . 1 1 57 57 PHE N N 57 118.444 118.444 117.124 1.320 18805 3453 1 11 . 1 1 57 57 PHE HA H 57 3.629 3.629 3.790 -0.161 18805 3454 1 11 . 1 1 57 57 PHE C C 57 178.058 178.058 178.305 -0.247 18805 3455 1 11 . 1 1 57 57 PHE CA C 57 63.831 63.831 62.657 1.174 18805 3456 1 11 . 1 1 57 57 PHE CB C 57 39.161 39.161 38.613 0.548 18805 3457 1 11 . 1 1 57 57 PHE H H 57 8.924 8.924 8.246 0.678 18805 3458 1 11 . 1 1 58 58 GLN N N 58 119.552 119.552 118.514 1.038 18805 3459 1 11 . 1 1 58 58 GLN HA H 58 3.958 3.958 3.903 0.055 18805 3460 1 11 . 1 1 58 58 GLN C C 58 179.475 179.475 178.430 1.045 18805 3461 1 11 . 1 1 58 58 GLN CA C 58 59.730 59.730 59.635 0.095 18805 3462 1 11 . 1 1 58 58 GLN CB C 58 28.108 28.108 28.608 -0.500 18805 3463 1 11 . 1 1 58 58 GLN H H 58 8.322 8.322 8.370 -0.048 18805 3464 1 11 . 1 1 59 59 ASN N N 59 119.095 119.095 117.572 1.523 18805 3465 1 11 . 1 1 59 59 ASN HA H 59 4.344 4.344 4.479 -0.135 18805 3466 1 11 . 1 1 59 59 ASN C C 59 177.212 177.212 177.628 -0.416 18805 3467 1 11 . 1 1 59 59 ASN CA C 59 55.536 55.536 55.690 -0.153 18805 3468 1 11 . 1 1 59 59 ASN CB C 59 37.920 37.920 38.375 -0.455 18805 3469 1 11 . 1 1 59 59 ASN H H 59 8.158 8.158 7.801 0.357 18805 3470 1 11 . 1 1 60 60 ARG N N 60 124.480 124.480 121.299 3.181 18805 3471 1 11 . 1 1 60 60 ARG HA H 60 3.383 3.383 3.638 -0.255 18805 3472 1 11 . 1 1 60 60 ARG C C 60 179.622 179.622 178.198 1.424 18805 3473 1 11 . 1 1 60 60 ARG CA C 60 56.532 56.532 57.739 -1.207 18805 3474 1 11 . 1 1 60 60 ARG CB C 60 27.904 27.904 28.851 -0.947 18805 3475 1 11 . 1 1 60 60 ARG H H 60 8.494 8.494 7.886 0.608 18805 3476 1 11 . 1 1 61 61 ARG N N 61 118.870 118.870 119.551 -0.681 18805 3477 1 11 . 1 1 61 61 ARG HA H 61 3.946 3.946 4.385 -0.439 18805 3478 1 11 . 1 1 61 61 ARG C C 61 178.392 178.392 178.722 -0.330 18805 3479 1 11 . 1 1 61 61 ARG CA C 61 60.599 60.599 59.391 1.208 18805 3480 1 11 . 1 1 61 61 ARG CB C 61 31.546 31.546 30.149 1.397 18805 3481 1 11 . 1 1 61 61 ARG H H 61 8.310 8.310 8.129 0.181 18805 3482 1 11 . 1 1 62 62 ALA N N 62 121.373 121.373 120.815 0.558 18805 3483 1 11 . 1 1 62 62 ALA HA H 62 4.163 4.163 4.091 0.072 18805 3484 1 11 . 1 1 62 62 ALA C C 62 179.899 179.899 177.905 1.994 18805 3485 1 11 . 1 1 62 62 ALA CA C 62 55.109 55.109 54.842 0.267 18805 3486 1 11 . 1 1 62 62 ALA CB C 62 17.754 17.754 18.494 -0.740 18805 3487 1 11 . 1 1 62 62 ALA H H 62 7.382 7.382 7.624 -0.242 18805 3488 1 11 . 1 1 63 63 LYS N N 63 118.540 118.540 117.338 1.202 18805 3489 1 11 . 1 1 63 63 LYS HA H 63 3.986 3.986 4.102 -0.116 18805 3490 1 11 . 1 1 63 63 LYS C C 63 178.259 178.259 177.642 0.617 18805 3491 1 11 . 1 1 63 63 LYS CA C 63 58.727 58.727 58.234 0.493 18805 3492 1 11 . 1 1 63 63 LYS CB C 63 32.634 32.634 32.610 0.024 18805 3493 1 11 . 1 1 63 63 LYS H H 63 7.573 7.573 7.493 0.080 18805 3494 1 11 . 1 1 64 64 TRP N N 64 121.094 121.094 120.947 0.147 18805 3495 1 11 . 1 1 64 64 TRP HA H 64 4.436 4.436 4.415 0.021 18805 3496 1 11 . 1 1 64 64 TRP C C 64 177.662 177.662 177.399 0.263 18805 3497 1 11 . 1 1 64 64 TRP CA C 64 60.130 60.130 59.318 0.812 18805 3498 1 11 . 1 1 64 64 TRP CB C 64 29.138 29.138 30.569 -1.431 18805 3499 1 11 . 1 1 64 64 TRP H H 64 8.032 8.032 7.960 0.072 18805 3500 1 11 . 1 1 65 65 ARG N N 65 118.674 118.674 121.946 -3.272 18805 3501 1 11 . 1 1 65 65 ARG HA H 65 3.783 3.783 3.665 0.118 18805 3502 1 11 . 1 1 65 65 ARG C C 65 177.342 177.342 175.216 2.126 18805 3503 1 11 . 1 1 65 65 ARG CA C 65 58.290 58.290 56.447 1.843 18805 3504 1 11 . 1 1 65 65 ARG CB C 65 30.580 30.580 29.237 1.343 18805 3505 1 11 . 1 1 65 65 ARG H H 65 8.232 8.232 7.823 0.409 18805 3506 1 11 . 1 1 66 66 LYS N N 66 118.567 118.567 124.580 -6.013 18805 3507 1 11 . 1 1 66 66 LYS HA H 66 4.122 4.122 4.404 -0.282 18805 3508 1 11 . 1 1 66 66 LYS C C 66 177.060 177.060 175.869 1.191 18805 3509 1 11 . 1 1 66 66 LYS CA C 66 57.389 57.389 55.743 1.646 18805 3510 1 11 . 1 1 66 66 LYS CB C 66 32.659 32.659 33.477 -0.818 18805 3511 1 11 . 1 1 66 66 LYS H H 66 7.591 7.591 7.699 -0.108 18805 3512 1 11 . 1 1 67 67 ARG N N 67 119.185 119.185 125.145 -5.960 18805 3513 1 11 . 1 1 67 67 ARG HA H 67 4.183 4.183 4.276 -0.093 18805 3514 1 11 . 1 1 67 67 ARG C C 67 176.830 176.830 175.605 1.225 18805 3515 1 11 . 1 1 67 67 ARG CA C 67 56.879 56.879 56.919 -0.040 18805 3516 1 11 . 1 1 67 67 ARG CB C 67 30.226 30.226 30.918 -0.692 18805 3517 1 11 . 1 1 67 67 ARG H H 67 7.722 7.722 8.511 -0.789 18805 3518 1 11 . 1 1 68 68 GLU N N 68 120.614 120.614 117.889 2.725 18805 3519 1 11 . 1 1 68 68 GLU HA H 68 4.087 4.087 4.045 0.042 18805 3520 1 11 . 1 1 68 68 GLU C C 68 176.803 176.803 174.624 2.179 18805 3521 1 11 . 1 1 68 68 GLU CA C 68 57.076 57.076 56.854 0.222 18805 3522 1 11 . 1 1 68 68 GLU CB C 68 30.099 30.099 29.760 0.339 18805 3523 1 11 . 1 1 68 68 GLU H H 68 8.157 8.157 8.046 0.111 18805 3524 1 11 . 1 1 69 69 ARG N N 69 120.012 120.012 120.265 -0.253 18805 3525 1 11 . 1 1 69 69 ARG C C 69 176.270 176.270 175.815 0.455 18805 3526 1 11 . 1 1 69 69 ARG CA C 69 66.543 66.543 55.142 11.402 18805 3527 1 11 . 1 1 69 69 ARG CB C 69 32.203 32.203 31.371 0.832 18805 3528 1 11 . 1 1 69 69 ARG H H 69 7.974 7.974 8.264 -0.290 18805 3529 1 11 . 1 1 70 70 PHE HA H 70 4.577 4.577 4.579 -0.002 18805 3530 1 11 . 1 1 70 70 PHE CA C 70 58.021 58.021 58.181 -0.161 18805 3531 1 11 . 1 1 70 70 PHE CB C 70 39.295 39.295 39.421 -0.126 18805 3532 1 12 . 1 1 16 16 PHE HA H 16 5.000 5.000 4.967 0.033 18805 3533 1 12 . 1 1 16 16 PHE C C 16 176.744 176.744 176.537 0.207 18805 3534 1 12 . 1 1 16 16 PHE CA C 16 57.425 57.425 55.941 1.484 18805 3535 1 12 . 1 1 16 16 PHE CB C 16 41.475 41.475 39.783 1.692 18805 3536 1 12 . 1 1 16 16 PHE H H 16 9.114 9.114 7.784 1.330 18805 3537 1 12 . 1 1 17 17 THR N N 17 113.394 113.394 114.725 -1.331 18805 3538 1 12 . 1 1 17 17 THR HA H 17 4.552 4.552 4.394 0.158 18805 3539 1 12 . 1 1 17 17 THR C C 17 175.352 175.352 176.106 -0.754 18805 3540 1 12 . 1 1 17 17 THR CA C 17 60.392 60.392 61.453 -1.061 18805 3541 1 12 . 1 1 17 17 THR CB C 17 71.013 71.013 70.723 0.290 18805 3542 1 12 . 1 1 17 17 THR H H 17 9.106 9.106 8.114 0.992 18805 3543 1 12 . 1 1 18 18 SER HA H 18 4.146 4.146 4.218 -0.072 18805 3544 1 12 . 1 1 18 18 SER C C 18 176.860 176.860 176.517 0.343 18805 3545 1 12 . 1 1 18 18 SER CA C 18 62.173 62.173 62.271 -0.098 18805 3546 1 12 . 1 1 18 18 SER CB C 18 62.172 62.172 62.754 -0.582 18805 3547 1 12 . 1 1 19 19 TYR N N 19 121.561 121.561 123.190 -1.629 18805 3548 1 12 . 1 1 19 19 TYR HA H 19 4.340 4.340 4.496 -0.156 18805 3549 1 12 . 1 1 19 19 TYR C C 19 176.860 176.860 177.751 -0.891 18805 3550 1 12 . 1 1 19 19 TYR CA C 19 60.736 60.736 60.716 0.020 18805 3551 1 12 . 1 1 19 19 TYR CB C 19 38.557 38.557 37.938 0.619 18805 3552 1 12 . 1 1 19 19 TYR H H 19 8.145 8.145 8.315 -0.170 18805 3553 1 12 . 1 1 20 20 GLN N N 20 116.967 116.967 117.960 -0.993 18805 3554 1 12 . 1 1 20 20 GLN HA H 20 3.359 3.359 3.529 -0.170 18805 3555 1 12 . 1 1 20 20 GLN C C 20 177.344 177.344 178.152 -0.808 18805 3556 1 12 . 1 1 20 20 GLN CA C 20 59.633 59.633 59.045 0.588 18805 3557 1 12 . 1 1 20 20 GLN CB C 20 27.866 27.866 28.727 -0.861 18805 3558 1 12 . 1 1 20 20 GLN H H 20 7.545 7.545 7.793 -0.248 18805 3559 1 12 . 1 1 21 21 LEU N N 21 115.751 115.751 119.041 -3.290 18805 3560 1 12 . 1 1 21 21 LEU HA H 21 3.532 3.532 3.564 -0.032 18805 3561 1 12 . 1 1 21 21 LEU C C 21 178.858 178.858 178.901 -0.043 18805 3562 1 12 . 1 1 21 21 LEU CA C 21 57.774 57.774 57.468 0.306 18805 3563 1 12 . 1 1 21 21 LEU CB C 21 41.660 41.660 41.315 0.345 18805 3564 1 12 . 1 1 21 21 LEU H H 21 8.116 8.116 7.975 0.141 18805 3565 1 12 . 1 1 22 22 GLU N N 22 118.939 118.939 119.737 -0.798 18805 3566 1 12 . 1 1 22 22 GLU HA H 22 3.876 3.876 3.881 -0.005 18805 3567 1 12 . 1 1 22 22 GLU C C 22 179.617 179.617 179.256 0.361 18805 3568 1 12 . 1 1 22 22 GLU CA C 22 59.244 59.244 59.681 -0.437 18805 3569 1 12 . 1 1 22 22 GLU CB C 22 29.454 29.454 29.236 0.218 18805 3570 1 12 . 1 1 22 22 GLU H H 22 8.108 8.108 7.687 0.421 18805 3571 1 12 . 1 1 23 23 GLU N N 23 117.643 117.643 118.828 -1.185 18805 3572 1 12 . 1 1 23 23 GLU HA H 23 3.699 3.699 4.049 -0.350 18805 3573 1 12 . 1 1 23 23 GLU C C 23 179.328 179.328 179.104 0.224 18805 3574 1 12 . 1 1 23 23 GLU CA C 23 58.616 58.616 58.264 0.352 18805 3575 1 12 . 1 1 23 23 GLU CB C 23 29.191 29.191 29.226 -0.035 18805 3576 1 12 . 1 1 23 23 GLU H H 23 7.631 7.631 7.338 0.293 18805 3577 1 12 . 1 1 24 24 LEU N N 24 122.218 122.218 120.434 1.784 18805 3578 1 12 . 1 1 24 24 LEU HA H 24 3.490 3.490 3.526 -0.036 18805 3579 1 12 . 1 1 24 24 LEU C C 24 177.731 177.731 178.652 -0.921 18805 3580 1 12 . 1 1 24 24 LEU CA C 24 58.732 58.732 58.155 0.577 18805 3581 1 12 . 1 1 24 24 LEU CB C 24 38.207 38.207 40.483 -2.276 18805 3582 1 12 . 1 1 24 24 LEU H H 24 7.995 7.995 8.126 -0.131 18805 3583 1 12 . 1 1 25 25 GLU N N 25 118.406 118.406 118.055 0.351 18805 3584 1 12 . 1 1 25 25 GLU HA H 25 4.278 4.278 4.122 0.156 18805 3585 1 12 . 1 1 25 25 GLU C C 25 179.059 179.059 178.893 0.166 18805 3586 1 12 . 1 1 25 25 GLU CA C 25 58.612 58.612 59.439 -0.827 18805 3587 1 12 . 1 1 25 25 GLU CB C 25 28.957 28.957 29.123 -0.166 18805 3588 1 12 . 1 1 25 25 GLU H H 25 7.833 7.833 7.761 0.072 18805 3589 1 12 . 1 1 26 26 LYS N N 26 118.033 118.033 120.301 -2.268 18805 3590 1 12 . 1 1 26 26 LYS HA H 26 3.978 3.978 4.060 -0.082 18805 3591 1 12 . 1 1 26 26 LYS C C 26 180.388 180.388 179.344 1.044 18805 3592 1 12 . 1 1 26 26 LYS CA C 26 59.919 59.919 59.397 0.522 18805 3593 1 12 . 1 1 26 26 LYS CB C 26 32.821 32.821 32.307 0.514 18805 3594 1 12 . 1 1 26 26 LYS H H 26 7.795 7.795 7.713 0.082 18805 3595 1 12 . 1 1 27 27 VAL N N 27 118.207 118.207 119.080 -0.873 18805 3596 1 12 . 1 1 27 27 VAL HA H 27 3.853 3.853 3.700 0.153 18805 3597 1 12 . 1 1 27 27 VAL C C 27 177.057 177.057 177.789 -0.732 18805 3598 1 12 . 1 1 27 27 VAL CA C 27 66.944 66.944 66.049 0.895 18805 3599 1 12 . 1 1 27 27 VAL CB C 27 31.034 31.034 31.890 -0.855 18805 3600 1 12 . 1 1 27 27 VAL H H 27 7.316 7.316 7.896 -0.580 18805 3601 1 12 . 1 1 28 28 PHE N N 28 122.791 122.791 121.098 1.693 18805 3602 1 12 . 1 1 28 28 PHE HA H 28 4.744 4.744 4.665 0.079 18805 3603 1 12 . 1 1 28 28 PHE C C 28 175.721 175.721 177.571 -1.850 18805 3604 1 12 . 1 1 28 28 PHE CA C 28 61.452 61.452 60.988 0.464 18805 3605 1 12 . 1 1 28 28 PHE CB C 28 38.872 38.872 39.458 -0.586 18805 3606 1 12 . 1 1 28 28 PHE H H 28 8.540 8.540 8.013 0.527 18805 3607 1 12 . 1 1 29 29 GLN N N 29 112.048 112.048 116.362 -4.314 18805 3608 1 12 . 1 1 29 29 GLN HA H 29 3.843 3.843 4.085 -0.242 18805 3609 1 12 . 1 1 29 29 GLN C C 29 177.467 177.467 177.615 -0.148 18805 3610 1 12 . 1 1 29 29 GLN CA C 29 57.595 57.595 57.312 0.283 18805 3611 1 12 . 1 1 29 29 GLN CB C 29 28.204 28.204 28.310 -0.106 18805 3612 1 12 . 1 1 29 29 GLN H H 29 8.129 8.129 8.264 -0.135 18805 3613 1 12 . 1 1 30 30 LYS N N 30 118.854 118.854 118.081 0.773 18805 3614 1 12 . 1 1 30 30 LYS HA H 30 4.260 4.260 4.238 0.022 18805 3615 1 12 . 1 1 30 30 LYS C C 30 176.920 176.920 177.485 -0.565 18805 3616 1 12 . 1 1 30 30 LYS CA C 30 57.449 57.449 57.974 -0.525 18805 3617 1 12 . 1 1 30 30 LYS CB C 30 33.450 33.450 33.351 0.099 18805 3618 1 12 . 1 1 30 30 LYS H H 30 7.599 7.599 7.568 0.031 18805 3619 1 12 . 1 1 31 31 THR N N 31 115.210 115.210 113.205 2.005 18805 3620 1 12 . 1 1 31 31 THR HA H 31 4.279 4.279 4.433 -0.154 18805 3621 1 12 . 1 1 31 31 THR C C 31 171.092 171.092 174.413 -3.321 18805 3622 1 12 . 1 1 31 31 THR CA C 31 59.113 59.113 60.628 -1.515 18805 3623 1 12 . 1 1 31 31 THR CB C 31 69.375 69.375 69.607 -0.232 18805 3624 1 12 . 1 1 31 31 THR H H 31 8.840 8.840 7.992 0.848 18805 3625 1 12 . 1 1 32 32 HIS N N 32 123.048 123.048 126.931 -3.883 18805 3626 1 12 . 1 1 32 32 HIS HA H 32 4.343 4.343 3.601 0.742 18805 3627 1 12 . 1 1 32 32 HIS C C 32 174.598 174.598 174.449 0.149 18805 3628 1 12 . 1 1 32 32 HIS CA C 32 55.323 55.323 57.762 -2.439 18805 3629 1 12 . 1 1 32 32 HIS CB C 32 30.975 30.975 29.221 1.754 18805 3630 1 12 . 1 1 32 32 HIS H H 32 8.342 8.342 8.533 -0.191 18805 3631 1 12 . 1 1 33 33 TYR N N 33 114.650 114.650 117.663 -3.013 18805 3632 1 12 . 1 1 33 33 TYR HA H 33 4.703 4.703 4.844 -0.141 18805 3633 1 12 . 1 1 33 33 TYR C C 33 172.558 172.558 174.072 -1.514 18805 3634 1 12 . 1 1 33 33 TYR CA C 33 55.146 55.146 54.065 1.081 18805 3635 1 12 . 1 1 33 33 TYR CB C 33 38.868 38.868 38.214 0.654 18805 3636 1 12 . 1 1 33 33 TYR H H 33 8.109 8.109 7.372 0.737 18805 3637 1 12 . 1 1 34 34 PRO HA H 34 4.273 4.273 4.362 -0.089 18805 3638 1 12 . 1 1 34 34 PRO C C 34 177.097 177.097 176.673 0.424 18805 3639 1 12 . 1 1 34 34 PRO CA C 34 62.413 62.413 62.630 -0.217 18805 3640 1 12 . 1 1 34 34 PRO CB C 34 30.790 30.790 31.993 -1.203 18805 3641 1 12 . 1 1 35 35 ASP N N 35 124.197 124.197 121.947 2.250 18805 3642 1 12 . 1 1 35 35 ASP HA H 35 4.447 4.447 4.529 -0.082 18805 3643 1 12 . 1 1 35 35 ASP C C 35 175.603 175.603 177.666 -2.063 18805 3644 1 12 . 1 1 35 35 ASP CA C 35 52.685 52.685 53.360 -0.675 18805 3645 1 12 . 1 1 35 35 ASP CB C 35 40.952 40.952 41.523 -0.571 18805 3646 1 12 . 1 1 35 35 ASP H H 35 8.547 8.547 8.160 0.387 18805 3647 1 12 . 1 1 36 36 VAL N N 36 118.006 118.006 118.596 -0.590 18805 3648 1 12 . 1 1 36 36 VAL HA H 36 3.473 3.473 3.708 -0.235 18805 3649 1 12 . 1 1 36 36 VAL C C 36 176.268 176.268 177.104 -0.836 18805 3650 1 12 . 1 1 36 36 VAL CA C 36 66.404 66.404 65.485 0.919 18805 3651 1 12 . 1 1 36 36 VAL CB C 36 31.419 31.419 32.047 -0.628 18805 3652 1 12 . 1 1 36 36 VAL H H 36 8.281 8.281 8.296 -0.015 18805 3653 1 12 . 1 1 37 37 TYR N N 37 121.225 121.225 119.555 1.670 18805 3654 1 12 . 1 1 37 37 TYR HA H 37 4.305 4.305 4.201 0.104 18805 3655 1 12 . 1 1 37 37 TYR C C 37 178.136 178.136 176.521 1.615 18805 3656 1 12 . 1 1 37 37 TYR CA C 37 60.808 60.808 61.079 -0.271 18805 3657 1 12 . 1 1 37 37 TYR CB C 37 37.392 37.392 38.257 -0.865 18805 3658 1 12 . 1 1 37 37 TYR H H 37 7.423 7.423 8.132 -0.709 18805 3659 1 12 . 1 1 38 38 ALA N N 38 122.550 122.550 121.880 0.670 18805 3660 1 12 . 1 1 38 38 ALA HA H 38 4.071 4.071 3.988 0.083 18805 3661 1 12 . 1 1 38 38 ALA C C 38 182.258 182.258 179.774 2.484 18805 3662 1 12 . 1 1 38 38 ALA CA C 38 54.885 54.885 54.584 0.300 18805 3663 1 12 . 1 1 38 38 ALA CB C 38 18.336 18.336 18.394 -0.058 18805 3664 1 12 . 1 1 38 38 ALA H H 38 8.376 8.376 7.870 0.506 18805 3665 1 12 . 1 1 39 39 ARG N N 39 117.400 117.400 117.698 -0.298 18805 3666 1 12 . 1 1 39 39 ARG HA H 39 3.834 3.834 4.041 -0.207 18805 3667 1 12 . 1 1 39 39 ARG C C 39 178.142 178.142 178.834 -0.692 18805 3668 1 12 . 1 1 39 39 ARG CA C 39 60.991 60.991 59.242 1.749 18805 3669 1 12 . 1 1 39 39 ARG CB C 39 31.335 31.335 30.090 1.246 18805 3670 1 12 . 1 1 39 39 ARG H H 39 8.699 8.699 7.762 0.937 18805 3671 1 12 . 1 1 40 40 GLU N N 40 121.231 121.231 120.127 1.104 18805 3672 1 12 . 1 1 40 40 GLU HA H 40 3.943 3.943 3.976 -0.033 18805 3673 1 12 . 1 1 40 40 GLU C C 40 179.598 179.598 179.126 0.472 18805 3674 1 12 . 1 1 40 40 GLU CA C 40 59.805 59.805 59.300 0.505 18805 3675 1 12 . 1 1 40 40 GLU CB C 40 29.508 29.508 28.833 0.675 18805 3676 1 12 . 1 1 40 40 GLU H H 40 8.672 8.672 7.911 0.761 18805 3677 1 12 . 1 1 41 41 GLN N N 41 118.662 118.662 117.838 0.824 18805 3678 1 12 . 1 1 41 41 GLN HA H 41 3.958 3.958 3.963 -0.005 18805 3679 1 12 . 1 1 41 41 GLN C C 41 178.675 178.675 178.627 0.048 18805 3680 1 12 . 1 1 41 41 GLN CA C 41 58.594 58.594 58.443 0.151 18805 3681 1 12 . 1 1 41 41 GLN CB C 41 28.396 28.396 28.506 -0.110 18805 3682 1 12 . 1 1 41 41 GLN H H 41 8.264 8.264 7.437 0.827 18805 3683 1 12 . 1 1 42 42 LEU N N 42 121.044 121.044 120.843 0.201 18805 3684 1 12 . 1 1 42 42 LEU HA H 42 4.009 4.009 4.053 -0.044 18805 3685 1 12 . 1 1 42 42 LEU C C 42 179.727 179.727 178.044 1.683 18805 3686 1 12 . 1 1 42 42 LEU CA C 42 57.600 57.600 57.388 0.212 18805 3687 1 12 . 1 1 42 42 LEU CB C 42 42.752 42.752 41.608 1.144 18805 3688 1 12 . 1 1 42 42 LEU H H 42 7.909 7.909 7.539 0.370 18805 3689 1 12 . 1 1 43 43 ALA N N 43 124.342 124.342 121.733 2.609 18805 3690 1 12 . 1 1 43 43 ALA HA H 43 3.697 3.697 4.147 -0.450 18805 3691 1 12 . 1 1 43 43 ALA C C 43 179.056 179.056 179.754 -0.698 18805 3692 1 12 . 1 1 43 43 ALA CA C 43 55.561 55.561 54.602 0.959 18805 3693 1 12 . 1 1 43 43 ALA CB C 43 17.186 17.186 18.733 -1.547 18805 3694 1 12 . 1 1 43 43 ALA H H 43 8.647 8.647 8.095 0.552 18805 3695 1 12 . 1 1 44 44 MET N N 44 115.878 115.878 116.737 -0.859 18805 3696 1 12 . 1 1 44 44 MET HA H 44 4.262 4.262 4.163 0.099 18805 3697 1 12 . 1 1 44 44 MET C C 44 179.154 179.154 178.203 0.951 18805 3698 1 12 . 1 1 44 44 MET CA C 44 58.569 58.569 58.593 -0.024 18805 3699 1 12 . 1 1 44 44 MET CB C 44 32.138 32.138 32.600 -0.462 18805 3700 1 12 . 1 1 44 44 MET H H 44 7.926 7.926 7.572 0.354 18805 3701 1 12 . 1 1 45 45 ARG N N 45 116.503 116.503 118.232 -1.729 18805 3702 1 12 . 1 1 45 45 ARG HA H 45 4.402 4.402 4.168 0.234 18805 3703 1 12 . 1 1 45 45 ARG C C 45 177.591 177.591 178.849 -1.258 18805 3704 1 12 . 1 1 45 45 ARG CA C 45 58.315 58.315 58.702 -0.387 18805 3705 1 12 . 1 1 45 45 ARG CB C 45 30.909 30.909 30.505 0.404 18805 3706 1 12 . 1 1 45 45 ARG H H 45 7.903 7.903 7.921 -0.018 18805 3707 1 12 . 1 1 46 46 THR N N 46 105.711 105.711 109.388 -3.677 18805 3708 1 12 . 1 1 46 46 THR HA H 46 4.501 4.501 4.285 0.216 18805 3709 1 12 . 1 1 46 46 THR C C 46 174.417 174.417 174.257 0.160 18805 3710 1 12 . 1 1 46 46 THR CA C 46 61.808 61.808 63.107 -1.299 18805 3711 1 12 . 1 1 46 46 THR CB C 46 70.714 70.714 68.835 1.879 18805 3712 1 12 . 1 1 46 46 THR H H 46 7.662 7.662 8.227 -0.565 18805 3713 1 12 . 1 1 47 47 ASP N N 47 120.391 120.391 116.809 3.582 18805 3714 1 12 . 1 1 47 47 ASP HA H 47 4.472 4.472 4.416 0.056 18805 3715 1 12 . 1 1 47 47 ASP C C 47 174.537 174.537 175.493 -0.956 18805 3716 1 12 . 1 1 47 47 ASP CA C 47 55.933 55.933 55.729 0.204 18805 3717 1 12 . 1 1 47 47 ASP CB C 47 39.565 39.565 39.440 0.125 18805 3718 1 12 . 1 1 47 47 ASP H H 47 7.922 7.922 7.720 0.202 18805 3719 1 12 . 1 1 48 48 LEU N N 48 118.406 118.406 118.859 -0.453 18805 3720 1 12 . 1 1 48 48 LEU HA H 48 4.891 4.891 4.487 0.404 18805 3721 1 12 . 1 1 48 48 LEU C C 48 176.180 176.180 177.102 -0.922 18805 3722 1 12 . 1 1 48 48 LEU CA C 48 52.943 52.943 54.295 -1.352 18805 3723 1 12 . 1 1 48 48 LEU CB C 48 46.638 46.638 43.305 3.333 18805 3724 1 12 . 1 1 48 48 LEU H H 48 8.072 8.072 7.357 0.715 18805 3725 1 12 . 1 1 49 49 THR N N 49 106.891 106.891 115.844 -8.953 18805 3726 1 12 . 1 1 49 49 THR HA H 49 4.597 4.597 4.370 0.227 18805 3727 1 12 . 1 1 49 49 THR C C 49 175.667 175.667 175.867 -0.200 18805 3728 1 12 . 1 1 49 49 THR CA C 49 59.573 59.573 62.397 -2.824 18805 3729 1 12 . 1 1 49 49 THR CB C 49 71.085 71.085 69.661 1.424 18805 3730 1 12 . 1 1 49 49 THR H H 49 7.071 7.071 8.315 -1.244 18805 3731 1 12 . 1 1 50 50 GLU N N 50 124.013 124.013 125.296 -1.283 18805 3732 1 12 . 1 1 50 50 GLU HA H 50 3.721 3.721 3.908 -0.187 18805 3733 1 12 . 1 1 50 50 GLU C C 50 178.112 178.112 178.713 -0.601 18805 3734 1 12 . 1 1 50 50 GLU CA C 50 60.982 60.982 60.453 0.529 18805 3735 1 12 . 1 1 50 50 GLU CB C 50 28.654 28.654 29.409 -0.755 18805 3736 1 12 . 1 1 50 50 GLU H H 50 9.271 9.271 9.035 0.236 18805 3737 1 12 . 1 1 51 51 ALA N N 51 119.708 119.708 121.975 -2.267 18805 3738 1 12 . 1 1 51 51 ALA HA H 51 4.108 4.108 4.200 -0.092 18805 3739 1 12 . 1 1 51 51 ALA C C 51 180.493 180.493 179.556 0.937 18805 3740 1 12 . 1 1 51 51 ALA CA C 51 55.200 55.200 54.865 0.335 18805 3741 1 12 . 1 1 51 51 ALA CB C 51 18.397 18.397 18.191 0.206 18805 3742 1 12 . 1 1 51 51 ALA H H 51 8.377 8.377 8.293 0.084 18805 3743 1 12 . 1 1 52 52 ARG N N 52 117.740 117.740 119.680 -1.940 18805 3744 1 12 . 1 1 52 52 ARG HA H 52 4.213 4.213 4.274 -0.061 18805 3745 1 12 . 1 1 52 52 ARG C C 52 179.734 179.734 178.792 0.942 18805 3746 1 12 . 1 1 52 52 ARG CA C 52 59.006 59.006 58.808 0.198 18805 3747 1 12 . 1 1 52 52 ARG CB C 52 30.626 30.626 29.744 0.882 18805 3748 1 12 . 1 1 52 52 ARG H H 52 7.756 7.756 8.230 -0.474 18805 3749 1 12 . 1 1 53 53 VAL N N 53 120.607 120.607 119.896 0.711 18805 3750 1 12 . 1 1 53 53 VAL HA H 53 3.706 3.706 3.864 -0.158 18805 3751 1 12 . 1 1 53 53 VAL C C 53 177.734 177.734 178.463 -0.729 18805 3752 1 12 . 1 1 53 53 VAL CA C 53 67.350 67.350 66.370 0.980 18805 3753 1 12 . 1 1 53 53 VAL CB C 53 31.900 31.900 31.119 0.781 18805 3754 1 12 . 1 1 53 53 VAL H H 53 8.206 8.206 8.049 0.157 18805 3755 1 12 . 1 1 54 54 GLN N N 54 119.441 119.441 118.919 0.522 18805 3756 1 12 . 1 1 54 54 GLN HA H 54 4.401 4.401 4.110 0.291 18805 3757 1 12 . 1 1 54 54 GLN C C 54 179.055 179.055 179.014 0.041 18805 3758 1 12 . 1 1 54 54 GLN CA C 54 60.036 60.036 58.921 1.115 18805 3759 1 12 . 1 1 54 54 GLN CB C 54 28.509 28.509 28.364 0.145 18805 3760 1 12 . 1 1 54 54 GLN H H 54 8.747 8.747 8.051 0.696 18805 3761 1 12 . 1 1 55 55 VAL N N 55 119.951 119.951 119.383 0.568 18805 3762 1 12 . 1 1 55 55 VAL HA H 55 3.783 3.783 3.763 0.020 18805 3763 1 12 . 1 1 55 55 VAL C C 55 177.751 177.751 177.907 -0.156 18805 3764 1 12 . 1 1 55 55 VAL CA C 55 66.575 66.575 66.857 -0.282 18805 3765 1 12 . 1 1 55 55 VAL CB C 55 32.017 32.017 31.404 0.613 18805 3766 1 12 . 1 1 55 55 VAL H H 55 7.973 7.973 7.790 0.183 18805 3767 1 12 . 1 1 56 56 TRP N N 56 121.386 121.386 121.372 0.014 18805 3768 1 12 . 1 1 56 56 TRP HA H 56 4.075 4.075 4.090 -0.015 18805 3769 1 12 . 1 1 56 56 TRP C C 56 179.849 179.849 178.091 1.758 18805 3770 1 12 . 1 1 56 56 TRP CA C 56 63.249 63.249 61.633 1.617 18805 3771 1 12 . 1 1 56 56 TRP CB C 56 28.266 28.266 29.227 -0.961 18805 3772 1 12 . 1 1 56 56 TRP H H 56 8.351 8.351 7.647 0.704 18805 3773 1 12 . 1 1 57 57 PHE N N 57 118.444 118.444 117.032 1.412 18805 3774 1 12 . 1 1 57 57 PHE HA H 57 3.629 3.629 3.915 -0.286 18805 3775 1 12 . 1 1 57 57 PHE C C 57 178.058 178.058 178.167 -0.109 18805 3776 1 12 . 1 1 57 57 PHE CA C 57 63.831 63.831 62.129 1.702 18805 3777 1 12 . 1 1 57 57 PHE CB C 57 39.161 39.161 38.839 0.322 18805 3778 1 12 . 1 1 57 57 PHE H H 57 8.924 8.924 7.972 0.952 18805 3779 1 12 . 1 1 58 58 GLN N N 58 119.552 119.552 118.348 1.204 18805 3780 1 12 . 1 1 58 58 GLN HA H 58 3.958 3.958 4.066 -0.108 18805 3781 1 12 . 1 1 58 58 GLN C C 58 179.475 179.475 178.931 0.544 18805 3782 1 12 . 1 1 58 58 GLN CA C 58 59.730 59.730 58.703 1.028 18805 3783 1 12 . 1 1 58 58 GLN CB C 58 28.108 28.108 28.018 0.090 18805 3784 1 12 . 1 1 58 58 GLN H H 58 8.322 8.322 8.231 0.091 18805 3785 1 12 . 1 1 59 59 ASN N N 59 119.095 119.095 118.315 0.780 18805 3786 1 12 . 1 1 59 59 ASN HA H 59 4.344 4.344 4.449 -0.105 18805 3787 1 12 . 1 1 59 59 ASN C C 59 177.212 177.212 177.605 -0.393 18805 3788 1 12 . 1 1 59 59 ASN CA C 59 55.536 55.536 55.760 -0.224 18805 3789 1 12 . 1 1 59 59 ASN CB C 59 37.920 37.920 38.434 -0.514 18805 3790 1 12 . 1 1 59 59 ASN H H 59 8.158 8.158 7.832 0.326 18805 3791 1 12 . 1 1 60 60 ARG N N 60 124.480 124.480 121.243 3.237 18805 3792 1 12 . 1 1 60 60 ARG HA H 60 3.383 3.383 3.586 -0.203 18805 3793 1 12 . 1 1 60 60 ARG C C 60 179.622 179.622 178.256 1.366 18805 3794 1 12 . 1 1 60 60 ARG CA C 60 56.532 56.532 57.917 -1.385 18805 3795 1 12 . 1 1 60 60 ARG CB C 60 27.904 27.904 28.872 -0.968 18805 3796 1 12 . 1 1 60 60 ARG H H 60 8.494 8.494 7.836 0.658 18805 3797 1 12 . 1 1 61 61 ARG N N 61 118.870 118.870 118.482 0.388 18805 3798 1 12 . 1 1 61 61 ARG HA H 61 3.946 3.946 4.182 -0.236 18805 3799 1 12 . 1 1 61 61 ARG C C 61 178.392 178.392 178.563 -0.171 18805 3800 1 12 . 1 1 61 61 ARG CA C 61 60.599 60.599 59.606 0.993 18805 3801 1 12 . 1 1 61 61 ARG CB C 61 31.546 31.546 30.097 1.449 18805 3802 1 12 . 1 1 61 61 ARG H H 61 8.310 8.310 7.993 0.317 18805 3803 1 12 . 1 1 62 62 ALA N N 62 121.373 121.373 122.287 -0.914 18805 3804 1 12 . 1 1 62 62 ALA HA H 62 4.163 4.163 4.142 0.021 18805 3805 1 12 . 1 1 62 62 ALA C C 62 179.899 179.899 179.063 0.836 18805 3806 1 12 . 1 1 62 62 ALA CA C 62 55.109 55.109 55.144 -0.035 18805 3807 1 12 . 1 1 62 62 ALA CB C 62 17.754 17.754 18.244 -0.490 18805 3808 1 12 . 1 1 62 62 ALA H H 62 7.382 7.382 7.750 -0.368 18805 3809 1 12 . 1 1 63 63 LYS N N 63 118.540 118.540 117.780 0.760 18805 3810 1 12 . 1 1 63 63 LYS HA H 63 3.986 3.986 4.100 -0.114 18805 3811 1 12 . 1 1 63 63 LYS C C 63 178.259 178.259 178.165 0.094 18805 3812 1 12 . 1 1 63 63 LYS CA C 63 58.727 58.727 58.191 0.536 18805 3813 1 12 . 1 1 63 63 LYS CB C 63 32.634 32.634 32.635 -0.000 18805 3814 1 12 . 1 1 63 63 LYS H H 63 7.573 7.573 7.568 0.005 18805 3815 1 12 . 1 1 64 64 TRP N N 64 121.094 121.094 120.811 0.283 18805 3816 1 12 . 1 1 64 64 TRP HA H 64 4.436 4.436 4.365 0.071 18805 3817 1 12 . 1 1 64 64 TRP C C 64 177.662 177.662 177.766 -0.104 18805 3818 1 12 . 1 1 64 64 TRP CA C 64 60.130 60.130 60.468 -0.338 18805 3819 1 12 . 1 1 64 64 TRP CB C 64 29.138 29.138 29.889 -0.751 18805 3820 1 12 . 1 1 64 64 TRP H H 64 8.032 8.032 7.876 0.156 18805 3821 1 12 . 1 1 65 65 ARG N N 65 118.674 118.674 115.889 2.785 18805 3822 1 12 . 1 1 65 65 ARG HA H 65 3.783 3.783 4.276 -0.493 18805 3823 1 12 . 1 1 65 65 ARG C C 65 177.342 177.342 175.185 2.157 18805 3824 1 12 . 1 1 65 65 ARG CA C 65 58.290 58.290 56.337 1.953 18805 3825 1 12 . 1 1 65 65 ARG CB C 65 30.580 30.580 31.191 -0.611 18805 3826 1 12 . 1 1 65 65 ARG H H 65 8.232 8.232 7.861 0.371 18805 3827 1 12 . 1 1 66 66 LYS N N 66 118.567 118.567 116.757 1.810 18805 3828 1 12 . 1 1 66 66 LYS HA H 66 4.122 4.122 3.951 0.171 18805 3829 1 12 . 1 1 66 66 LYS C C 66 177.060 177.060 175.769 1.291 18805 3830 1 12 . 1 1 66 66 LYS CA C 66 57.389 57.389 56.933 0.456 18805 3831 1 12 . 1 1 66 66 LYS CB C 66 32.659 32.659 29.587 3.072 18805 3832 1 12 . 1 1 66 66 LYS H H 66 7.591 7.591 7.647 -0.056 18805 3833 1 12 . 1 1 67 67 ARG N N 67 119.185 119.185 121.471 -2.286 18805 3834 1 12 . 1 1 67 67 ARG HA H 67 4.183 4.183 4.442 -0.259 18805 3835 1 12 . 1 1 67 67 ARG C C 67 176.830 176.830 175.776 1.054 18805 3836 1 12 . 1 1 67 67 ARG CA C 67 56.879 56.879 55.463 1.416 18805 3837 1 12 . 1 1 67 67 ARG CB C 67 30.226 30.226 31.580 -1.354 18805 3838 1 12 . 1 1 67 67 ARG H H 67 7.722 7.722 7.774 -0.052 18805 3839 1 12 . 1 1 68 68 GLU N N 68 120.614 120.614 125.416 -4.802 18805 3840 1 12 . 1 1 68 68 GLU HA H 68 4.087 4.087 4.260 -0.173 18805 3841 1 12 . 1 1 68 68 GLU C C 68 176.803 176.803 175.925 0.878 18805 3842 1 12 . 1 1 68 68 GLU CA C 68 57.076 57.076 57.015 0.061 18805 3843 1 12 . 1 1 68 68 GLU CB C 68 30.099 30.099 30.310 -0.211 18805 3844 1 12 . 1 1 68 68 GLU H H 68 8.157 8.157 8.637 -0.480 18805 3845 1 12 . 1 1 69 69 ARG N N 69 120.012 120.012 127.303 -7.291 18805 3846 1 12 . 1 1 69 69 ARG C C 69 176.270 176.270 174.866 1.404 18805 3847 1 12 . 1 1 69 69 ARG CA C 69 66.543 66.543 55.724 10.819 18805 3848 1 12 . 1 1 69 69 ARG CB C 69 32.203 32.203 30.892 1.311 18805 3849 1 12 . 1 1 69 69 ARG H H 69 7.974 7.974 8.294 -0.320 18805 3850 1 12 . 1 1 70 70 PHE HA H 70 4.577 4.577 4.584 -0.007 18805 3851 1 12 . 1 1 70 70 PHE CA C 70 58.021 58.021 57.603 0.418 18805 3852 1 12 . 1 1 70 70 PHE CB C 70 39.295 39.295 39.214 0.081 18805 3853 1 13 . 1 1 16 16 PHE HA H 16 5.000 5.000 5.352 -0.352 18805 3854 1 13 . 1 1 16 16 PHE C C 16 176.744 176.744 175.969 0.775 18805 3855 1 13 . 1 1 16 16 PHE CA C 16 57.425 57.425 56.229 1.196 18805 3856 1 13 . 1 1 16 16 PHE CB C 16 41.475 41.475 41.935 -0.461 18805 3857 1 13 . 1 1 16 16 PHE H H 16 9.114 9.114 7.763 1.351 18805 3858 1 13 . 1 1 17 17 THR N N 17 113.394 113.394 114.108 -0.714 18805 3859 1 13 . 1 1 17 17 THR HA H 17 4.552 4.552 4.694 -0.142 18805 3860 1 13 . 1 1 17 17 THR C C 17 175.352 175.352 175.774 -0.422 18805 3861 1 13 . 1 1 17 17 THR CA C 17 60.392 60.392 60.402 -0.010 18805 3862 1 13 . 1 1 17 17 THR CB C 17 71.013 71.013 71.561 -0.548 18805 3863 1 13 . 1 1 17 17 THR H H 17 9.106 9.106 8.895 0.211 18805 3864 1 13 . 1 1 18 18 SER HA H 18 4.146 4.146 4.205 -0.059 18805 3865 1 13 . 1 1 18 18 SER C C 18 176.860 176.860 176.651 0.209 18805 3866 1 13 . 1 1 18 18 SER CA C 18 62.173 62.173 61.658 0.515 18805 3867 1 13 . 1 1 18 18 SER CB C 18 62.172 62.172 62.898 -0.725 18805 3868 1 13 . 1 1 19 19 TYR N N 19 121.561 121.561 123.023 -1.462 18805 3869 1 13 . 1 1 19 19 TYR HA H 19 4.340 4.340 4.076 0.264 18805 3870 1 13 . 1 1 19 19 TYR C C 19 176.860 176.860 177.200 -0.340 18805 3871 1 13 . 1 1 19 19 TYR CA C 19 60.736 60.736 61.516 -0.780 18805 3872 1 13 . 1 1 19 19 TYR CB C 19 38.557 38.557 38.222 0.335 18805 3873 1 13 . 1 1 19 19 TYR H H 19 8.145 8.145 8.332 -0.187 18805 3874 1 13 . 1 1 20 20 GLN N N 20 116.967 116.967 117.867 -0.900 18805 3875 1 13 . 1 1 20 20 GLN HA H 20 3.359 3.359 3.756 -0.397 18805 3876 1 13 . 1 1 20 20 GLN C C 20 177.344 177.344 178.272 -0.928 18805 3877 1 13 . 1 1 20 20 GLN CA C 20 59.633 59.633 58.823 0.810 18805 3878 1 13 . 1 1 20 20 GLN CB C 20 27.866 27.866 28.896 -1.030 18805 3879 1 13 . 1 1 20 20 GLN H H 20 7.545 7.545 7.719 -0.174 18805 3880 1 13 . 1 1 21 21 LEU N N 21 115.751 115.751 119.426 -3.675 18805 3881 1 13 . 1 1 21 21 LEU HA H 21 3.532 3.532 3.607 -0.075 18805 3882 1 13 . 1 1 21 21 LEU C C 21 178.858 178.858 179.018 -0.160 18805 3883 1 13 . 1 1 21 21 LEU CA C 21 57.774 57.774 57.474 0.300 18805 3884 1 13 . 1 1 21 21 LEU CB C 21 41.660 41.660 41.239 0.421 18805 3885 1 13 . 1 1 21 21 LEU H H 21 8.116 8.116 8.179 -0.063 18805 3886 1 13 . 1 1 22 22 GLU N N 22 118.939 118.939 119.004 -0.065 18805 3887 1 13 . 1 1 22 22 GLU HA H 22 3.876 3.876 3.937 -0.061 18805 3888 1 13 . 1 1 22 22 GLU C C 22 179.617 179.617 179.042 0.575 18805 3889 1 13 . 1 1 22 22 GLU CA C 22 59.244 59.244 59.608 -0.364 18805 3890 1 13 . 1 1 22 22 GLU CB C 22 29.454 29.454 28.995 0.459 18805 3891 1 13 . 1 1 22 22 GLU H H 22 8.108 8.108 7.653 0.455 18805 3892 1 13 . 1 1 23 23 GLU N N 23 117.643 117.643 119.126 -1.483 18805 3893 1 13 . 1 1 23 23 GLU HA H 23 3.699 3.699 4.035 -0.336 18805 3894 1 13 . 1 1 23 23 GLU C C 23 179.328 179.328 178.991 0.337 18805 3895 1 13 . 1 1 23 23 GLU CA C 23 58.616 58.616 58.212 0.404 18805 3896 1 13 . 1 1 23 23 GLU CB C 23 29.191 29.191 29.211 -0.020 18805 3897 1 13 . 1 1 23 23 GLU H H 23 7.631 7.631 7.338 0.293 18805 3898 1 13 . 1 1 24 24 LEU N N 24 122.218 122.218 120.363 1.855 18805 3899 1 13 . 1 1 24 24 LEU HA H 24 3.490 3.490 3.499 -0.009 18805 3900 1 13 . 1 1 24 24 LEU C C 24 177.731 177.731 178.773 -1.042 18805 3901 1 13 . 1 1 24 24 LEU CA C 24 58.732 58.732 58.150 0.582 18805 3902 1 13 . 1 1 24 24 LEU CB C 24 38.207 38.207 40.511 -2.304 18805 3903 1 13 . 1 1 24 24 LEU H H 24 7.995 7.995 8.073 -0.078 18805 3904 1 13 . 1 1 25 25 GLU N N 25 118.406 118.406 117.912 0.494 18805 3905 1 13 . 1 1 25 25 GLU HA H 25 4.278 4.278 4.219 0.059 18805 3906 1 13 . 1 1 25 25 GLU C C 25 179.059 179.059 179.176 -0.117 18805 3907 1 13 . 1 1 25 25 GLU CA C 25 58.612 58.612 59.561 -0.949 18805 3908 1 13 . 1 1 25 25 GLU CB C 25 28.957 28.957 29.126 -0.169 18805 3909 1 13 . 1 1 25 25 GLU H H 25 7.833 7.833 7.766 0.067 18805 3910 1 13 . 1 1 26 26 LYS N N 26 118.033 118.033 119.643 -1.610 18805 3911 1 13 . 1 1 26 26 LYS HA H 26 3.978 3.978 4.057 -0.079 18805 3912 1 13 . 1 1 26 26 LYS C C 26 180.388 180.388 179.395 0.993 18805 3913 1 13 . 1 1 26 26 LYS CA C 26 59.919 59.919 59.323 0.596 18805 3914 1 13 . 1 1 26 26 LYS CB C 26 32.821 32.821 32.351 0.470 18805 3915 1 13 . 1 1 26 26 LYS H H 26 7.795 7.795 7.388 0.407 18805 3916 1 13 . 1 1 27 27 VAL N N 27 118.207 118.207 118.864 -0.657 18805 3917 1 13 . 1 1 27 27 VAL HA H 27 3.853 3.853 3.732 0.121 18805 3918 1 13 . 1 1 27 27 VAL C C 27 177.057 177.057 177.910 -0.853 18805 3919 1 13 . 1 1 27 27 VAL CA C 27 66.944 66.944 65.888 1.056 18805 3920 1 13 . 1 1 27 27 VAL CB C 27 31.034 31.034 31.258 -0.224 18805 3921 1 13 . 1 1 27 27 VAL H H 27 7.316 7.316 7.735 -0.419 18805 3922 1 13 . 1 1 28 28 PHE N N 28 122.791 122.791 121.522 1.269 18805 3923 1 13 . 1 1 28 28 PHE HA H 28 4.744 4.744 4.789 -0.045 18805 3924 1 13 . 1 1 28 28 PHE C C 28 175.721 175.721 177.146 -1.425 18805 3925 1 13 . 1 1 28 28 PHE CA C 28 61.452 61.452 60.903 0.549 18805 3926 1 13 . 1 1 28 28 PHE CB C 28 38.872 38.872 39.257 -0.385 18805 3927 1 13 . 1 1 28 28 PHE H H 28 8.540 8.540 8.098 0.442 18805 3928 1 13 . 1 1 29 29 GLN N N 29 112.048 112.048 115.180 -3.132 18805 3929 1 13 . 1 1 29 29 GLN HA H 29 3.843 3.843 4.006 -0.163 18805 3930 1 13 . 1 1 29 29 GLN C C 29 177.467 177.467 177.174 0.293 18805 3931 1 13 . 1 1 29 29 GLN CA C 29 57.595 57.595 57.635 -0.040 18805 3932 1 13 . 1 1 29 29 GLN CB C 29 28.204 28.204 28.590 -0.386 18805 3933 1 13 . 1 1 29 29 GLN H H 29 8.129 8.129 8.088 0.041 18805 3934 1 13 . 1 1 30 30 LYS N N 30 118.854 118.854 116.636 2.218 18805 3935 1 13 . 1 1 30 30 LYS HA H 30 4.260 4.260 4.234 0.026 18805 3936 1 13 . 1 1 30 30 LYS C C 30 176.920 176.920 176.965 -0.045 18805 3937 1 13 . 1 1 30 30 LYS CA C 30 57.449 57.449 57.001 0.448 18805 3938 1 13 . 1 1 30 30 LYS CB C 30 33.450 33.450 33.701 -0.251 18805 3939 1 13 . 1 1 30 30 LYS H H 30 7.599 7.599 7.442 0.157 18805 3940 1 13 . 1 1 31 31 THR N N 31 115.210 115.210 113.694 1.516 18805 3941 1 13 . 1 1 31 31 THR HA H 31 4.279 4.279 4.063 0.216 18805 3942 1 13 . 1 1 31 31 THR C C 31 171.092 171.092 173.267 -2.175 18805 3943 1 13 . 1 1 31 31 THR CA C 31 59.113 59.113 60.595 -1.482 18805 3944 1 13 . 1 1 31 31 THR CB C 31 69.375 69.375 70.247 -0.872 18805 3945 1 13 . 1 1 31 31 THR H H 31 8.840 8.840 7.883 0.957 18805 3946 1 13 . 1 1 32 32 HIS N N 32 123.048 123.048 126.225 -3.177 18805 3947 1 13 . 1 1 32 32 HIS HA H 32 4.343 4.343 4.536 -0.193 18805 3948 1 13 . 1 1 32 32 HIS C C 32 174.598 174.598 174.563 0.035 18805 3949 1 13 . 1 1 32 32 HIS CA C 32 55.323 55.323 56.418 -1.095 18805 3950 1 13 . 1 1 32 32 HIS CB C 32 30.975 30.975 29.473 1.502 18805 3951 1 13 . 1 1 32 32 HIS H H 32 8.342 8.342 8.144 0.198 18805 3952 1 13 . 1 1 33 33 TYR N N 33 114.650 114.650 116.408 -1.758 18805 3953 1 13 . 1 1 33 33 TYR HA H 33 4.703 4.703 4.667 0.036 18805 3954 1 13 . 1 1 33 33 TYR C C 33 172.558 172.558 172.748 -0.190 18805 3955 1 13 . 1 1 33 33 TYR CA C 33 55.146 55.146 54.219 0.927 18805 3956 1 13 . 1 1 33 33 TYR CB C 33 38.868 38.868 38.033 0.835 18805 3957 1 13 . 1 1 33 33 TYR H H 33 8.109 8.109 7.179 0.930 18805 3958 1 13 . 1 1 34 34 PRO HA H 34 4.273 4.273 4.427 -0.154 18805 3959 1 13 . 1 1 34 34 PRO C C 34 177.097 177.097 176.777 0.320 18805 3960 1 13 . 1 1 34 34 PRO CA C 34 62.413 62.413 62.723 -0.310 18805 3961 1 13 . 1 1 34 34 PRO CB C 34 30.790 30.790 32.688 -1.898 18805 3962 1 13 . 1 1 35 35 ASP N N 35 124.197 124.197 123.651 0.546 18805 3963 1 13 . 1 1 35 35 ASP HA H 35 4.447 4.447 4.462 -0.015 18805 3964 1 13 . 1 1 35 35 ASP C C 35 175.603 175.603 177.895 -2.292 18805 3965 1 13 . 1 1 35 35 ASP CA C 35 52.685 52.685 55.098 -2.413 18805 3966 1 13 . 1 1 35 35 ASP CB C 35 40.952 40.952 41.519 -0.567 18805 3967 1 13 . 1 1 35 35 ASP H H 35 8.547 8.547 8.221 0.326 18805 3968 1 13 . 1 1 36 36 VAL N N 36 118.006 118.006 120.432 -2.426 18805 3969 1 13 . 1 1 36 36 VAL HA H 36 3.473 3.473 3.805 -0.332 18805 3970 1 13 . 1 1 36 36 VAL C C 36 176.268 176.268 177.256 -0.988 18805 3971 1 13 . 1 1 36 36 VAL CA C 36 66.404 66.404 65.797 0.607 18805 3972 1 13 . 1 1 36 36 VAL CB C 36 31.419 31.419 32.087 -0.668 18805 3973 1 13 . 1 1 36 36 VAL H H 36 8.281 8.281 8.365 -0.084 18805 3974 1 13 . 1 1 37 37 TYR N N 37 121.225 121.225 120.404 0.821 18805 3975 1 13 . 1 1 37 37 TYR HA H 37 4.305 4.305 4.404 -0.099 18805 3976 1 13 . 1 1 37 37 TYR C C 37 178.136 178.136 176.839 1.297 18805 3977 1 13 . 1 1 37 37 TYR CA C 37 60.808 60.808 60.944 -0.136 18805 3978 1 13 . 1 1 37 37 TYR CB C 37 37.392 37.392 37.599 -0.207 18805 3979 1 13 . 1 1 37 37 TYR H H 37 7.423 7.423 8.198 -0.775 18805 3980 1 13 . 1 1 38 38 ALA N N 38 122.550 122.550 122.474 0.076 18805 3981 1 13 . 1 1 38 38 ALA HA H 38 4.071 4.071 4.038 0.033 18805 3982 1 13 . 1 1 38 38 ALA C C 38 182.258 182.258 179.806 2.452 18805 3983 1 13 . 1 1 38 38 ALA CA C 38 54.885 54.885 54.919 -0.034 18805 3984 1 13 . 1 1 38 38 ALA CB C 38 18.336 18.336 18.011 0.325 18805 3985 1 13 . 1 1 38 38 ALA H H 38 8.376 8.376 8.525 -0.149 18805 3986 1 13 . 1 1 39 39 ARG N N 39 117.400 117.400 118.207 -0.807 18805 3987 1 13 . 1 1 39 39 ARG HA H 39 3.834 3.834 3.994 -0.160 18805 3988 1 13 . 1 1 39 39 ARG C C 39 178.142 178.142 178.783 -0.641 18805 3989 1 13 . 1 1 39 39 ARG CA C 39 60.991 60.991 59.541 1.450 18805 3990 1 13 . 1 1 39 39 ARG CB C 39 31.335 31.335 30.069 1.266 18805 3991 1 13 . 1 1 39 39 ARG H H 39 8.699 8.699 8.320 0.379 18805 3992 1 13 . 1 1 40 40 GLU N N 40 121.231 121.231 119.684 1.547 18805 3993 1 13 . 1 1 40 40 GLU HA H 40 3.943 3.943 3.962 -0.019 18805 3994 1 13 . 1 1 40 40 GLU C C 40 179.598 179.598 178.850 0.748 18805 3995 1 13 . 1 1 40 40 GLU CA C 40 59.805 59.805 59.133 0.672 18805 3996 1 13 . 1 1 40 40 GLU CB C 40 29.508 29.508 28.815 0.693 18805 3997 1 13 . 1 1 40 40 GLU H H 40 8.672 8.672 7.568 1.104 18805 3998 1 13 . 1 1 41 41 GLN N N 41 118.662 118.662 118.049 0.613 18805 3999 1 13 . 1 1 41 41 GLN HA H 41 3.958 3.958 3.914 0.044 18805 4000 1 13 . 1 1 41 41 GLN C C 41 178.675 178.675 178.465 0.210 18805 4001 1 13 . 1 1 41 41 GLN CA C 41 58.594 58.594 58.072 0.522 18805 4002 1 13 . 1 1 41 41 GLN CB C 41 28.396 28.396 28.234 0.162 18805 4003 1 13 . 1 1 41 41 GLN H H 41 8.264 8.264 7.769 0.495 18805 4004 1 13 . 1 1 42 42 LEU N N 42 121.044 121.044 120.181 0.863 18805 4005 1 13 . 1 1 42 42 LEU HA H 42 4.009 4.009 3.970 0.039 18805 4006 1 13 . 1 1 42 42 LEU C C 42 179.727 179.727 178.634 1.093 18805 4007 1 13 . 1 1 42 42 LEU CA C 42 57.600 57.600 57.142 0.458 18805 4008 1 13 . 1 1 42 42 LEU CB C 42 42.752 42.752 41.473 1.279 18805 4009 1 13 . 1 1 42 42 LEU H H 42 7.909 7.909 7.739 0.170 18805 4010 1 13 . 1 1 43 43 ALA N N 43 124.342 124.342 121.396 2.946 18805 4011 1 13 . 1 1 43 43 ALA HA H 43 3.697 3.697 4.115 -0.418 18805 4012 1 13 . 1 1 43 43 ALA C C 43 179.056 179.056 178.911 0.145 18805 4013 1 13 . 1 1 43 43 ALA CA C 43 55.561 55.561 54.693 0.868 18805 4014 1 13 . 1 1 43 43 ALA CB C 43 17.186 17.186 18.756 -1.571 18805 4015 1 13 . 1 1 43 43 ALA H H 43 8.647 8.647 8.169 0.478 18805 4016 1 13 . 1 1 44 44 MET N N 44 115.878 115.878 114.283 1.595 18805 4017 1 13 . 1 1 44 44 MET HA H 44 4.262 4.262 4.440 -0.178 18805 4018 1 13 . 1 1 44 44 MET C C 44 179.154 179.154 177.854 1.300 18805 4019 1 13 . 1 1 44 44 MET CA C 44 58.569 58.569 55.342 3.227 18805 4020 1 13 . 1 1 44 44 MET CB C 44 32.138 32.138 31.740 0.398 18805 4021 1 13 . 1 1 44 44 MET H H 44 7.926 7.926 7.694 0.232 18805 4022 1 13 . 1 1 45 45 ARG N N 45 116.503 116.503 118.073 -1.570 18805 4023 1 13 . 1 1 45 45 ARG HA H 45 4.402 4.402 4.459 -0.057 18805 4024 1 13 . 1 1 45 45 ARG C C 45 177.591 177.591 177.629 -0.038 18805 4025 1 13 . 1 1 45 45 ARG CA C 45 58.315 58.315 57.585 0.730 18805 4026 1 13 . 1 1 45 45 ARG CB C 45 30.909 30.909 30.968 -0.059 18805 4027 1 13 . 1 1 45 45 ARG H H 45 7.903 7.903 7.792 0.111 18805 4028 1 13 . 1 1 46 46 THR N N 46 105.711 105.711 108.267 -2.556 18805 4029 1 13 . 1 1 46 46 THR HA H 46 4.501 4.501 4.520 -0.019 18805 4030 1 13 . 1 1 46 46 THR C C 46 174.417 174.417 174.013 0.404 18805 4031 1 13 . 1 1 46 46 THR CA C 46 61.808 61.808 62.175 -0.367 18805 4032 1 13 . 1 1 46 46 THR CB C 46 70.714 70.714 70.596 0.118 18805 4033 1 13 . 1 1 46 46 THR H H 46 7.662 7.662 8.031 -0.369 18805 4034 1 13 . 1 1 47 47 ASP N N 47 120.391 120.391 120.300 0.091 18805 4035 1 13 . 1 1 47 47 ASP HA H 47 4.472 4.472 4.447 0.025 18805 4036 1 13 . 1 1 47 47 ASP C C 47 174.537 174.537 174.903 -0.366 18805 4037 1 13 . 1 1 47 47 ASP CA C 47 55.933 55.933 55.467 0.466 18805 4038 1 13 . 1 1 47 47 ASP CB C 47 39.565 39.565 38.725 0.840 18805 4039 1 13 . 1 1 47 47 ASP H H 47 7.922 7.922 8.068 -0.146 18805 4040 1 13 . 1 1 48 48 LEU N N 48 118.406 118.406 118.215 0.191 18805 4041 1 13 . 1 1 48 48 LEU HA H 48 4.891 4.891 4.724 0.167 18805 4042 1 13 . 1 1 48 48 LEU C C 48 176.180 176.180 176.741 -0.561 18805 4043 1 13 . 1 1 48 48 LEU CA C 48 52.943 52.943 53.236 -0.293 18805 4044 1 13 . 1 1 48 48 LEU CB C 48 46.638 46.638 44.974 1.664 18805 4045 1 13 . 1 1 48 48 LEU H H 48 8.072 8.072 7.518 0.554 18805 4046 1 13 . 1 1 49 49 THR N N 49 106.891 106.891 116.674 -9.783 18805 4047 1 13 . 1 1 49 49 THR HA H 49 4.597 4.597 4.372 0.225 18805 4048 1 13 . 1 1 49 49 THR C C 49 175.667 175.667 175.701 -0.034 18805 4049 1 13 . 1 1 49 49 THR CA C 49 59.573 59.573 62.302 -2.729 18805 4050 1 13 . 1 1 49 49 THR CB C 49 71.085 71.085 69.998 1.087 18805 4051 1 13 . 1 1 49 49 THR H H 49 7.071 7.071 8.366 -1.295 18805 4052 1 13 . 1 1 50 50 GLU N N 50 124.013 124.013 125.920 -1.907 18805 4053 1 13 . 1 1 50 50 GLU HA H 50 3.721 3.721 3.976 -0.255 18805 4054 1 13 . 1 1 50 50 GLU C C 50 178.112 178.112 178.594 -0.482 18805 4055 1 13 . 1 1 50 50 GLU CA C 50 60.982 60.982 60.454 0.528 18805 4056 1 13 . 1 1 50 50 GLU CB C 50 28.654 28.654 29.006 -0.352 18805 4057 1 13 . 1 1 50 50 GLU H H 50 9.271 9.271 9.082 0.189 18805 4058 1 13 . 1 1 51 51 ALA N N 51 119.708 119.708 122.221 -2.513 18805 4059 1 13 . 1 1 51 51 ALA HA H 51 4.108 4.108 4.406 -0.298 18805 4060 1 13 . 1 1 51 51 ALA C C 51 180.493 180.493 179.883 0.610 18805 4061 1 13 . 1 1 51 51 ALA CA C 51 55.200 55.200 54.832 0.368 18805 4062 1 13 . 1 1 51 51 ALA CB C 51 18.397 18.397 18.500 -0.103 18805 4063 1 13 . 1 1 51 51 ALA H H 51 8.377 8.377 8.392 -0.015 18805 4064 1 13 . 1 1 52 52 ARG N N 52 117.740 117.740 119.281 -1.541 18805 4065 1 13 . 1 1 52 52 ARG HA H 52 4.213 4.213 4.250 -0.037 18805 4066 1 13 . 1 1 52 52 ARG C C 52 179.734 179.734 178.924 0.810 18805 4067 1 13 . 1 1 52 52 ARG CA C 52 59.006 59.006 59.086 -0.079 18805 4068 1 13 . 1 1 52 52 ARG CB C 52 30.626 30.626 30.145 0.481 18805 4069 1 13 . 1 1 52 52 ARG H H 52 7.756 7.756 8.217 -0.461 18805 4070 1 13 . 1 1 53 53 VAL N N 53 120.607 120.607 120.230 0.377 18805 4071 1 13 . 1 1 53 53 VAL HA H 53 3.706 3.706 3.737 -0.031 18805 4072 1 13 . 1 1 53 53 VAL C C 53 177.734 177.734 178.287 -0.553 18805 4073 1 13 . 1 1 53 53 VAL CA C 53 67.350 67.350 67.007 0.343 18805 4074 1 13 . 1 1 53 53 VAL CB C 53 31.900 31.900 31.692 0.208 18805 4075 1 13 . 1 1 53 53 VAL H H 53 8.206 8.206 8.278 -0.072 18805 4076 1 13 . 1 1 54 54 GLN N N 54 119.441 119.441 118.660 0.781 18805 4077 1 13 . 1 1 54 54 GLN HA H 54 4.401 4.401 4.082 0.319 18805 4078 1 13 . 1 1 54 54 GLN C C 54 179.055 179.055 178.824 0.231 18805 4079 1 13 . 1 1 54 54 GLN CA C 54 60.036 60.036 59.302 0.734 18805 4080 1 13 . 1 1 54 54 GLN CB C 54 28.509 28.509 28.749 -0.240 18805 4081 1 13 . 1 1 54 54 GLN H H 54 8.747 8.747 7.827 0.920 18805 4082 1 13 . 1 1 55 55 VAL N N 55 119.951 119.951 120.522 -0.571 18805 4083 1 13 . 1 1 55 55 VAL HA H 55 3.783 3.783 4.056 -0.273 18805 4084 1 13 . 1 1 55 55 VAL C C 55 177.751 177.751 178.039 -0.288 18805 4085 1 13 . 1 1 55 55 VAL CA C 55 66.575 66.575 66.999 -0.424 18805 4086 1 13 . 1 1 55 55 VAL CB C 55 32.017 32.017 31.566 0.451 18805 4087 1 13 . 1 1 55 55 VAL H H 55 7.973 7.973 8.077 -0.104 18805 4088 1 13 . 1 1 56 56 TRP N N 56 121.386 121.386 121.734 -0.348 18805 4089 1 13 . 1 1 56 56 TRP HA H 56 4.075 4.075 4.282 -0.207 18805 4090 1 13 . 1 1 56 56 TRP C C 56 179.849 179.849 178.179 1.670 18805 4091 1 13 . 1 1 56 56 TRP CA C 56 63.249 63.249 61.804 1.444 18805 4092 1 13 . 1 1 56 56 TRP CB C 56 28.266 28.266 29.390 -1.124 18805 4093 1 13 . 1 1 56 56 TRP H H 56 8.351 8.351 7.807 0.544 18805 4094 1 13 . 1 1 57 57 PHE N N 57 118.444 118.444 117.135 1.309 18805 4095 1 13 . 1 1 57 57 PHE HA H 57 3.629 3.629 3.935 -0.306 18805 4096 1 13 . 1 1 57 57 PHE C C 57 178.058 178.058 178.196 -0.138 18805 4097 1 13 . 1 1 57 57 PHE CA C 57 63.831 63.831 62.543 1.288 18805 4098 1 13 . 1 1 57 57 PHE CB C 57 39.161 39.161 38.843 0.318 18805 4099 1 13 . 1 1 57 57 PHE H H 57 8.924 8.924 8.308 0.616 18805 4100 1 13 . 1 1 58 58 GLN N N 58 119.552 119.552 118.771 0.781 18805 4101 1 13 . 1 1 58 58 GLN HA H 58 3.958 3.958 3.946 0.012 18805 4102 1 13 . 1 1 58 58 GLN C C 58 179.475 179.475 178.451 1.024 18805 4103 1 13 . 1 1 58 58 GLN CA C 58 59.730 59.730 59.661 0.069 18805 4104 1 13 . 1 1 58 58 GLN CB C 58 28.108 28.108 28.656 -0.548 18805 4105 1 13 . 1 1 58 58 GLN H H 58 8.322 8.322 8.478 -0.156 18805 4106 1 13 . 1 1 59 59 ASN N N 59 119.095 119.095 118.356 0.739 18805 4107 1 13 . 1 1 59 59 ASN HA H 59 4.344 4.344 4.418 -0.074 18805 4108 1 13 . 1 1 59 59 ASN C C 59 177.212 177.212 177.570 -0.358 18805 4109 1 13 . 1 1 59 59 ASN CA C 59 55.536 55.536 55.968 -0.432 18805 4110 1 13 . 1 1 59 59 ASN CB C 59 37.920 37.920 37.982 -0.062 18805 4111 1 13 . 1 1 59 59 ASN H H 59 8.158 8.158 7.992 0.166 18805 4112 1 13 . 1 1 60 60 ARG N N 60 124.480 124.480 120.684 3.796 18805 4113 1 13 . 1 1 60 60 ARG HA H 60 3.383 3.383 3.666 -0.283 18805 4114 1 13 . 1 1 60 60 ARG C C 60 179.622 179.622 178.219 1.403 18805 4115 1 13 . 1 1 60 60 ARG CA C 60 56.532 56.532 57.603 -1.071 18805 4116 1 13 . 1 1 60 60 ARG CB C 60 27.904 27.904 28.743 -0.839 18805 4117 1 13 . 1 1 60 60 ARG H H 60 8.494 8.494 8.022 0.472 18805 4118 1 13 . 1 1 61 61 ARG N N 61 118.870 118.870 118.646 0.224 18805 4119 1 13 . 1 1 61 61 ARG HA H 61 3.946 3.946 4.175 -0.229 18805 4120 1 13 . 1 1 61 61 ARG C C 61 178.392 178.392 178.528 -0.136 18805 4121 1 13 . 1 1 61 61 ARG CA C 61 60.599 60.599 59.607 0.992 18805 4122 1 13 . 1 1 61 61 ARG CB C 61 31.546 31.546 30.133 1.413 18805 4123 1 13 . 1 1 61 61 ARG H H 61 8.310 8.310 8.165 0.145 18805 4124 1 13 . 1 1 62 62 ALA N N 62 121.373 121.373 121.986 -0.613 18805 4125 1 13 . 1 1 62 62 ALA HA H 62 4.163 4.163 4.196 -0.033 18805 4126 1 13 . 1 1 62 62 ALA C C 62 179.899 179.899 179.029 0.870 18805 4127 1 13 . 1 1 62 62 ALA CA C 62 55.109 55.109 54.756 0.353 18805 4128 1 13 . 1 1 62 62 ALA CB C 62 17.754 17.754 18.575 -0.821 18805 4129 1 13 . 1 1 62 62 ALA H H 62 7.382 7.382 7.843 -0.461 18805 4130 1 13 . 1 1 63 63 LYS N N 63 118.540 118.540 116.595 1.945 18805 4131 1 13 . 1 1 63 63 LYS HA H 63 3.986 3.986 4.177 -0.191 18805 4132 1 13 . 1 1 63 63 LYS C C 63 178.259 178.259 177.820 0.439 18805 4133 1 13 . 1 1 63 63 LYS CA C 63 58.727 58.727 57.507 1.220 18805 4134 1 13 . 1 1 63 63 LYS CB C 63 32.634 32.634 32.271 0.363 18805 4135 1 13 . 1 1 63 63 LYS H H 63 7.573 7.573 7.669 -0.096 18805 4136 1 13 . 1 1 64 64 TRP N N 64 121.094 121.094 121.267 -0.173 18805 4137 1 13 . 1 1 64 64 TRP HA H 64 4.436 4.436 4.448 -0.012 18805 4138 1 13 . 1 1 64 64 TRP C C 64 177.662 177.662 176.635 1.027 18805 4139 1 13 . 1 1 64 64 TRP CA C 64 60.130 60.130 58.964 1.166 18805 4140 1 13 . 1 1 64 64 TRP CB C 64 29.138 29.138 30.097 -0.959 18805 4141 1 13 . 1 1 64 64 TRP H H 64 8.032 8.032 7.488 0.544 18805 4142 1 13 . 1 1 65 65 ARG N N 65 118.674 118.674 119.567 -0.893 18805 4143 1 13 . 1 1 65 65 ARG HA H 65 3.783 3.783 4.184 -0.401 18805 4144 1 13 . 1 1 65 65 ARG C C 65 177.342 177.342 176.237 1.105 18805 4145 1 13 . 1 1 65 65 ARG CA C 65 58.290 58.290 55.844 2.446 18805 4146 1 13 . 1 1 65 65 ARG CB C 65 30.580 30.580 29.265 1.315 18805 4147 1 13 . 1 1 65 65 ARG H H 65 8.232 8.232 7.710 0.522 18805 4148 1 13 . 1 1 66 66 LYS N N 66 118.567 118.567 120.613 -2.046 18805 4149 1 13 . 1 1 66 66 LYS HA H 66 4.122 4.122 3.730 0.392 18805 4150 1 13 . 1 1 66 66 LYS C C 66 177.060 177.060 177.631 -0.571 18805 4151 1 13 . 1 1 66 66 LYS CA C 66 57.389 57.389 57.526 -0.137 18805 4152 1 13 . 1 1 66 66 LYS CB C 66 32.659 32.659 32.017 0.642 18805 4153 1 13 . 1 1 66 66 LYS H H 66 7.591 7.591 8.402 -0.811 18805 4154 1 13 . 1 1 67 67 ARG N N 67 119.185 119.185 117.387 1.798 18805 4155 1 13 . 1 1 67 67 ARG HA H 67 4.183 4.183 3.884 0.299 18805 4156 1 13 . 1 1 67 67 ARG C C 67 176.830 176.830 175.774 1.056 18805 4157 1 13 . 1 1 67 67 ARG CA C 67 56.879 56.879 57.605 -0.726 18805 4158 1 13 . 1 1 67 67 ARG CB C 67 30.226 30.226 29.001 1.225 18805 4159 1 13 . 1 1 67 67 ARG H H 67 7.722 7.722 8.779 -1.057 18805 4160 1 13 . 1 1 68 68 GLU N N 68 120.614 120.614 118.788 1.826 18805 4161 1 13 . 1 1 68 68 GLU HA H 68 4.087 4.087 3.888 0.199 18805 4162 1 13 . 1 1 68 68 GLU C C 68 176.803 176.803 175.869 0.934 18805 4163 1 13 . 1 1 68 68 GLU CA C 68 57.076 57.076 57.332 -0.256 18805 4164 1 13 . 1 1 68 68 GLU CB C 68 30.099 30.099 29.156 0.943 18805 4165 1 13 . 1 1 68 68 GLU H H 68 8.157 8.157 8.104 0.053 18805 4166 1 13 . 1 1 69 69 ARG N N 69 120.012 120.012 120.343 -0.331 18805 4167 1 13 . 1 1 69 69 ARG C C 69 176.270 176.270 176.735 -0.465 18805 4168 1 13 . 1 1 69 69 ARG CA C 69 66.543 66.543 56.451 10.092 18805 4169 1 13 . 1 1 69 69 ARG CB C 69 32.203 32.203 30.544 1.659 18805 4170 1 13 . 1 1 69 69 ARG H H 69 7.974 7.974 8.642 -0.668 18805 4171 1 13 . 1 1 70 70 PHE HA H 70 4.577 4.577 4.199 0.378 18805 4172 1 13 . 1 1 70 70 PHE CA C 70 58.021 58.021 59.790 -1.769 18805 4173 1 13 . 1 1 70 70 PHE CB C 70 39.295 39.295 38.375 0.920 18805 4174 1 14 . 1 1 16 16 PHE HA H 16 5.000 5.000 5.275 -0.275 18805 4175 1 14 . 1 1 16 16 PHE C C 16 176.744 176.744 175.690 1.054 18805 4176 1 14 . 1 1 16 16 PHE CA C 16 57.425 57.425 55.236 2.189 18805 4177 1 14 . 1 1 16 16 PHE CB C 16 41.475 41.475 41.685 -0.210 18805 4178 1 14 . 1 1 16 16 PHE H H 16 9.114 9.114 7.537 1.577 18805 4179 1 14 . 1 1 17 17 THR N N 17 113.394 113.394 115.477 -2.083 18805 4180 1 14 . 1 1 17 17 THR HA H 17 4.552 4.552 4.583 -0.031 18805 4181 1 14 . 1 1 17 17 THR C C 17 175.352 175.352 175.781 -0.429 18805 4182 1 14 . 1 1 17 17 THR CA C 17 60.392 60.392 61.174 -0.782 18805 4183 1 14 . 1 1 17 17 THR CB C 17 71.013 71.013 70.514 0.499 18805 4184 1 14 . 1 1 17 17 THR H H 17 9.106 9.106 8.937 0.169 18805 4185 1 14 . 1 1 18 18 SER HA H 18 4.146 4.146 4.236 -0.090 18805 4186 1 14 . 1 1 18 18 SER C C 18 176.860 176.860 176.360 0.500 18805 4187 1 14 . 1 1 18 18 SER CA C 18 62.173 62.173 62.311 -0.138 18805 4188 1 14 . 1 1 18 18 SER CB C 18 62.172 62.172 62.899 -0.727 18805 4189 1 14 . 1 1 19 19 TYR N N 19 121.561 121.561 122.842 -1.281 18805 4190 1 14 . 1 1 19 19 TYR HA H 19 4.340 4.340 4.128 0.212 18805 4191 1 14 . 1 1 19 19 TYR C C 19 176.860 176.860 177.014 -0.154 18805 4192 1 14 . 1 1 19 19 TYR CA C 19 60.736 60.736 61.348 -0.612 18805 4193 1 14 . 1 1 19 19 TYR CB C 19 38.557 38.557 38.183 0.374 18805 4194 1 14 . 1 1 19 19 TYR H H 19 8.145 8.145 7.976 0.169 18805 4195 1 14 . 1 1 20 20 GLN N N 20 116.967 116.967 118.559 -1.592 18805 4196 1 14 . 1 1 20 20 GLN HA H 20 3.359 3.359 3.659 -0.300 18805 4197 1 14 . 1 1 20 20 GLN C C 20 177.344 177.344 178.207 -0.863 18805 4198 1 14 . 1 1 20 20 GLN CA C 20 59.633 59.633 59.218 0.415 18805 4199 1 14 . 1 1 20 20 GLN CB C 20 27.866 27.866 28.753 -0.887 18805 4200 1 14 . 1 1 20 20 GLN H H 20 7.545 7.545 7.799 -0.254 18805 4201 1 14 . 1 1 21 21 LEU N N 21 115.751 115.751 119.168 -3.417 18805 4202 1 14 . 1 1 21 21 LEU HA H 21 3.532 3.532 3.482 0.050 18805 4203 1 14 . 1 1 21 21 LEU C C 21 178.858 178.858 178.655 0.203 18805 4204 1 14 . 1 1 21 21 LEU CA C 21 57.774 57.774 57.566 0.208 18805 4205 1 14 . 1 1 21 21 LEU CB C 21 41.660 41.660 41.537 0.123 18805 4206 1 14 . 1 1 21 21 LEU H H 21 8.116 8.116 8.214 -0.098 18805 4207 1 14 . 1 1 22 22 GLU N N 22 118.939 118.939 119.779 -0.840 18805 4208 1 14 . 1 1 22 22 GLU HA H 22 3.876 3.876 3.858 0.018 18805 4209 1 14 . 1 1 22 22 GLU C C 22 179.617 179.617 178.741 0.876 18805 4210 1 14 . 1 1 22 22 GLU CA C 22 59.244 59.244 59.729 -0.485 18805 4211 1 14 . 1 1 22 22 GLU CB C 22 29.454 29.454 29.387 0.067 18805 4212 1 14 . 1 1 22 22 GLU H H 22 8.108 8.108 7.640 0.468 18805 4213 1 14 . 1 1 23 23 GLU N N 23 117.643 117.643 119.067 -1.424 18805 4214 1 14 . 1 1 23 23 GLU HA H 23 3.699 3.699 3.868 -0.169 18805 4215 1 14 . 1 1 23 23 GLU C C 23 179.328 179.328 179.202 0.126 18805 4216 1 14 . 1 1 23 23 GLU CA C 23 58.616 58.616 58.918 -0.302 18805 4217 1 14 . 1 1 23 23 GLU CB C 23 29.191 29.191 29.041 0.149 18805 4218 1 14 . 1 1 23 23 GLU H H 23 7.631 7.631 7.663 -0.032 18805 4219 1 14 . 1 1 24 24 LEU N N 24 122.218 122.218 119.715 2.503 18805 4220 1 14 . 1 1 24 24 LEU HA H 24 3.490 3.490 3.599 -0.109 18805 4221 1 14 . 1 1 24 24 LEU C C 24 177.731 177.731 178.977 -1.246 18805 4222 1 14 . 1 1 24 24 LEU CA C 24 58.732 58.732 57.529 1.203 18805 4223 1 14 . 1 1 24 24 LEU CB C 24 38.207 38.207 40.345 -2.138 18805 4224 1 14 . 1 1 24 24 LEU H H 24 7.995 7.995 7.824 0.171 18805 4225 1 14 . 1 1 25 25 GLU N N 25 118.406 118.406 118.672 -0.266 18805 4226 1 14 . 1 1 25 25 GLU HA H 25 4.278 4.278 4.242 0.036 18805 4227 1 14 . 1 1 25 25 GLU C C 25 179.059 179.059 179.230 -0.171 18805 4228 1 14 . 1 1 25 25 GLU CA C 25 58.612 58.612 59.669 -1.057 18805 4229 1 14 . 1 1 25 25 GLU CB C 25 28.957 28.957 29.262 -0.305 18805 4230 1 14 . 1 1 25 25 GLU H H 25 7.833 7.833 7.708 0.125 18805 4231 1 14 . 1 1 26 26 LYS N N 26 118.033 118.033 119.875 -1.842 18805 4232 1 14 . 1 1 26 26 LYS HA H 26 3.978 3.978 4.042 -0.064 18805 4233 1 14 . 1 1 26 26 LYS C C 26 180.388 180.388 179.341 1.047 18805 4234 1 14 . 1 1 26 26 LYS CA C 26 59.919 59.919 59.526 0.393 18805 4235 1 14 . 1 1 26 26 LYS CB C 26 32.821 32.821 32.419 0.403 18805 4236 1 14 . 1 1 26 26 LYS H H 26 7.795 7.795 7.966 -0.171 18805 4237 1 14 . 1 1 27 27 VAL N N 27 118.207 118.207 118.931 -0.724 18805 4238 1 14 . 1 1 27 27 VAL HA H 27 3.853 3.853 3.639 0.214 18805 4239 1 14 . 1 1 27 27 VAL C C 27 177.057 177.057 177.847 -0.790 18805 4240 1 14 . 1 1 27 27 VAL CA C 27 66.944 66.944 66.026 0.918 18805 4241 1 14 . 1 1 27 27 VAL CB C 27 31.034 31.034 31.742 -0.708 18805 4242 1 14 . 1 1 27 27 VAL H H 27 7.316 7.316 7.680 -0.364 18805 4243 1 14 . 1 1 28 28 PHE N N 28 122.791 122.791 120.977 1.814 18805 4244 1 14 . 1 1 28 28 PHE HA H 28 4.744 4.744 4.718 0.026 18805 4245 1 14 . 1 1 28 28 PHE C C 28 175.721 175.721 177.532 -1.811 18805 4246 1 14 . 1 1 28 28 PHE CA C 28 61.452 61.452 60.729 0.723 18805 4247 1 14 . 1 1 28 28 PHE CB C 28 38.872 38.872 39.645 -0.772 18805 4248 1 14 . 1 1 28 28 PHE H H 28 8.540 8.540 7.948 0.592 18805 4249 1 14 . 1 1 29 29 GLN N N 29 112.048 112.048 117.828 -5.780 18805 4250 1 14 . 1 1 29 29 GLN HA H 29 3.843 3.843 3.954 -0.111 18805 4251 1 14 . 1 1 29 29 GLN C C 29 177.467 177.467 177.175 0.292 18805 4252 1 14 . 1 1 29 29 GLN CA C 29 57.595 57.595 57.744 -0.149 18805 4253 1 14 . 1 1 29 29 GLN CB C 29 28.204 28.204 28.320 -0.116 18805 4254 1 14 . 1 1 29 29 GLN H H 29 8.129 8.129 8.187 -0.058 18805 4255 1 14 . 1 1 30 30 LYS N N 30 118.854 118.854 117.501 1.353 18805 4256 1 14 . 1 1 30 30 LYS HA H 30 4.260 4.260 4.117 0.143 18805 4257 1 14 . 1 1 30 30 LYS C C 30 176.920 176.920 177.155 -0.235 18805 4258 1 14 . 1 1 30 30 LYS CA C 30 57.449 57.449 57.505 -0.056 18805 4259 1 14 . 1 1 30 30 LYS CB C 30 33.450 33.450 33.380 0.070 18805 4260 1 14 . 1 1 30 30 LYS H H 30 7.599 7.599 7.463 0.136 18805 4261 1 14 . 1 1 31 31 THR N N 31 115.210 115.210 113.677 1.533 18805 4262 1 14 . 1 1 31 31 THR HA H 31 4.279 4.279 4.211 0.068 18805 4263 1 14 . 1 1 31 31 THR C C 31 171.092 171.092 173.730 -2.638 18805 4264 1 14 . 1 1 31 31 THR CA C 31 59.113 59.113 60.397 -1.284 18805 4265 1 14 . 1 1 31 31 THR CB C 31 69.375 69.375 69.822 -0.447 18805 4266 1 14 . 1 1 31 31 THR H H 31 8.840 8.840 7.646 1.194 18805 4267 1 14 . 1 1 32 32 HIS N N 32 123.048 123.048 126.138 -3.090 18805 4268 1 14 . 1 1 32 32 HIS HA H 32 4.343 4.343 3.921 0.422 18805 4269 1 14 . 1 1 32 32 HIS C C 32 174.598 174.598 174.517 0.081 18805 4270 1 14 . 1 1 32 32 HIS CA C 32 55.323 55.323 56.307 -0.984 18805 4271 1 14 . 1 1 32 32 HIS CB C 32 30.975 30.975 29.072 1.903 18805 4272 1 14 . 1 1 32 32 HIS H H 32 8.342 8.342 8.317 0.025 18805 4273 1 14 . 1 1 33 33 TYR N N 33 114.650 114.650 114.833 -0.183 18805 4274 1 14 . 1 1 33 33 TYR HA H 33 4.703 4.703 4.904 -0.201 18805 4275 1 14 . 1 1 33 33 TYR C C 33 172.558 172.558 173.403 -0.845 18805 4276 1 14 . 1 1 33 33 TYR CA C 33 55.146 55.146 53.811 1.335 18805 4277 1 14 . 1 1 33 33 TYR CB C 33 38.868 38.868 38.011 0.857 18805 4278 1 14 . 1 1 33 33 TYR H H 33 8.109 8.109 7.090 1.019 18805 4279 1 14 . 1 1 34 34 PRO HA H 34 4.273 4.273 4.316 -0.043 18805 4280 1 14 . 1 1 34 34 PRO C C 34 177.097 177.097 176.194 0.903 18805 4281 1 14 . 1 1 34 34 PRO CA C 34 62.413 62.413 62.543 -0.130 18805 4282 1 14 . 1 1 34 34 PRO CB C 34 30.790 30.790 32.218 -1.428 18805 4283 1 14 . 1 1 35 35 ASP N N 35 124.197 124.197 122.864 1.333 18805 4284 1 14 . 1 1 35 35 ASP HA H 35 4.447 4.447 4.470 -0.023 18805 4285 1 14 . 1 1 35 35 ASP C C 35 175.603 175.603 177.611 -2.008 18805 4286 1 14 . 1 1 35 35 ASP CA C 35 52.685 52.685 53.294 -0.608 18805 4287 1 14 . 1 1 35 35 ASP CB C 35 40.952 40.952 41.043 -0.091 18805 4288 1 14 . 1 1 35 35 ASP H H 35 8.547 8.547 8.146 0.401 18805 4289 1 14 . 1 1 36 36 VAL N N 36 118.006 118.006 119.492 -1.486 18805 4290 1 14 . 1 1 36 36 VAL HA H 36 3.473 3.473 3.763 -0.290 18805 4291 1 14 . 1 1 36 36 VAL C C 36 176.268 176.268 177.053 -0.785 18805 4292 1 14 . 1 1 36 36 VAL CA C 36 66.404 66.404 65.556 0.848 18805 4293 1 14 . 1 1 36 36 VAL CB C 36 31.419 31.419 31.771 -0.352 18805 4294 1 14 . 1 1 36 36 VAL H H 36 8.281 8.281 8.342 -0.061 18805 4295 1 14 . 1 1 37 37 TYR N N 37 121.225 121.225 119.713 1.512 18805 4296 1 14 . 1 1 37 37 TYR HA H 37 4.305 4.305 4.210 0.095 18805 4297 1 14 . 1 1 37 37 TYR C C 37 178.136 178.136 176.822 1.314 18805 4298 1 14 . 1 1 37 37 TYR CA C 37 60.808 60.808 61.181 -0.373 18805 4299 1 14 . 1 1 37 37 TYR CB C 37 37.392 37.392 37.923 -0.531 18805 4300 1 14 . 1 1 37 37 TYR H H 37 7.423 7.423 8.277 -0.854 18805 4301 1 14 . 1 1 38 38 ALA N N 38 122.550 122.550 121.333 1.217 18805 4302 1 14 . 1 1 38 38 ALA HA H 38 4.071 4.071 3.891 0.180 18805 4303 1 14 . 1 1 38 38 ALA C C 38 182.258 182.258 179.755 2.503 18805 4304 1 14 . 1 1 38 38 ALA CA C 38 54.885 54.885 54.913 -0.028 18805 4305 1 14 . 1 1 38 38 ALA CB C 38 18.336 18.336 18.194 0.142 18805 4306 1 14 . 1 1 38 38 ALA H H 38 8.376 8.376 7.854 0.522 18805 4307 1 14 . 1 1 39 39 ARG N N 39 117.400 117.400 116.877 0.523 18805 4308 1 14 . 1 1 39 39 ARG HA H 39 3.834 3.834 4.140 -0.306 18805 4309 1 14 . 1 1 39 39 ARG C C 39 178.142 178.142 178.845 -0.703 18805 4310 1 14 . 1 1 39 39 ARG CA C 39 60.991 60.991 58.743 2.248 18805 4311 1 14 . 1 1 39 39 ARG CB C 39 31.335 31.335 30.152 1.183 18805 4312 1 14 . 1 1 39 39 ARG H H 39 8.699 8.699 7.562 1.137 18805 4313 1 14 . 1 1 40 40 GLU N N 40 121.231 121.231 120.929 0.302 18805 4314 1 14 . 1 1 40 40 GLU HA H 40 3.943 3.943 4.039 -0.096 18805 4315 1 14 . 1 1 40 40 GLU C C 40 179.598 179.598 178.979 0.619 18805 4316 1 14 . 1 1 40 40 GLU CA C 40 59.805 59.805 59.291 0.514 18805 4317 1 14 . 1 1 40 40 GLU CB C 40 29.508 29.508 29.005 0.503 18805 4318 1 14 . 1 1 40 40 GLU H H 40 8.672 8.672 8.126 0.546 18805 4319 1 14 . 1 1 41 41 GLN N N 41 118.662 118.662 118.247 0.415 18805 4320 1 14 . 1 1 41 41 GLN HA H 41 3.958 3.958 3.914 0.044 18805 4321 1 14 . 1 1 41 41 GLN C C 41 178.675 178.675 178.628 0.047 18805 4322 1 14 . 1 1 41 41 GLN CA C 41 58.594 58.594 58.272 0.322 18805 4323 1 14 . 1 1 41 41 GLN CB C 41 28.396 28.396 28.421 -0.025 18805 4324 1 14 . 1 1 41 41 GLN H H 41 8.264 8.264 7.514 0.750 18805 4325 1 14 . 1 1 42 42 LEU N N 42 121.044 121.044 120.944 0.100 18805 4326 1 14 . 1 1 42 42 LEU HA H 42 4.009 4.009 4.047 -0.038 18805 4327 1 14 . 1 1 42 42 LEU C C 42 179.727 179.727 178.142 1.585 18805 4328 1 14 . 1 1 42 42 LEU CA C 42 57.600 57.600 57.497 0.103 18805 4329 1 14 . 1 1 42 42 LEU CB C 42 42.752 42.752 41.632 1.120 18805 4330 1 14 . 1 1 42 42 LEU H H 42 7.909 7.909 7.445 0.464 18805 4331 1 14 . 1 1 43 43 ALA N N 43 124.342 124.342 121.376 2.966 18805 4332 1 14 . 1 1 43 43 ALA HA H 43 3.697 3.697 4.173 -0.476 18805 4333 1 14 . 1 1 43 43 ALA C C 43 179.056 179.056 180.041 -0.985 18805 4334 1 14 . 1 1 43 43 ALA CA C 43 55.561 55.561 54.541 1.020 18805 4335 1 14 . 1 1 43 43 ALA CB C 43 17.186 17.186 18.604 -1.418 18805 4336 1 14 . 1 1 43 43 ALA H H 43 8.647 8.647 7.855 0.792 18805 4337 1 14 . 1 1 44 44 MET N N 44 115.878 115.878 116.471 -0.593 18805 4338 1 14 . 1 1 44 44 MET HA H 44 4.262 4.262 4.227 0.035 18805 4339 1 14 . 1 1 44 44 MET C C 44 179.154 179.154 178.420 0.734 18805 4340 1 14 . 1 1 44 44 MET CA C 44 58.569 58.569 57.305 1.264 18805 4341 1 14 . 1 1 44 44 MET CB C 44 32.138 32.138 31.659 0.479 18805 4342 1 14 . 1 1 44 44 MET H H 44 7.926 7.926 7.622 0.304 18805 4343 1 14 . 1 1 45 45 ARG N N 45 116.503 116.503 117.066 -0.563 18805 4344 1 14 . 1 1 45 45 ARG HA H 45 4.402 4.402 4.231 0.171 18805 4345 1 14 . 1 1 45 45 ARG C C 45 177.591 177.591 178.577 -0.986 18805 4346 1 14 . 1 1 45 45 ARG CA C 45 58.315 58.315 58.413 -0.097 18805 4347 1 14 . 1 1 45 45 ARG CB C 45 30.909 30.909 30.604 0.305 18805 4348 1 14 . 1 1 45 45 ARG H H 45 7.903 7.903 7.660 0.243 18805 4349 1 14 . 1 1 46 46 THR N N 46 105.711 105.711 108.543 -2.832 18805 4350 1 14 . 1 1 46 46 THR HA H 46 4.501 4.501 4.412 0.089 18805 4351 1 14 . 1 1 46 46 THR C C 46 174.417 174.417 174.932 -0.515 18805 4352 1 14 . 1 1 46 46 THR CA C 46 61.808 61.808 63.597 -1.789 18805 4353 1 14 . 1 1 46 46 THR CB C 46 70.714 70.714 69.692 1.022 18805 4354 1 14 . 1 1 46 46 THR H H 46 7.662 7.662 8.018 -0.356 18805 4355 1 14 . 1 1 47 47 ASP N N 47 120.391 120.391 118.319 2.072 18805 4356 1 14 . 1 1 47 47 ASP HA H 47 4.472 4.472 4.361 0.111 18805 4357 1 14 . 1 1 47 47 ASP C C 47 174.537 174.537 175.199 -0.662 18805 4358 1 14 . 1 1 47 47 ASP CA C 47 55.933 55.933 55.448 0.485 18805 4359 1 14 . 1 1 47 47 ASP CB C 47 39.565 39.565 39.157 0.408 18805 4360 1 14 . 1 1 47 47 ASP H H 47 7.922 7.922 8.110 -0.188 18805 4361 1 14 . 1 1 48 48 LEU N N 48 118.406 118.406 119.480 -1.074 18805 4362 1 14 . 1 1 48 48 LEU HA H 48 4.891 4.891 4.495 0.396 18805 4363 1 14 . 1 1 48 48 LEU C C 48 176.180 176.180 177.096 -0.916 18805 4364 1 14 . 1 1 48 48 LEU CA C 48 52.943 52.943 54.511 -1.568 18805 4365 1 14 . 1 1 48 48 LEU CB C 48 46.638 46.638 43.005 3.632 18805 4366 1 14 . 1 1 48 48 LEU H H 48 8.072 8.072 7.501 0.571 18805 4367 1 14 . 1 1 49 49 THR N N 49 106.891 106.891 115.299 -8.408 18805 4368 1 14 . 1 1 49 49 THR HA H 49 4.597 4.597 4.414 0.183 18805 4369 1 14 . 1 1 49 49 THR C C 49 175.667 175.667 175.677 -0.010 18805 4370 1 14 . 1 1 49 49 THR CA C 49 59.573 59.573 61.963 -2.390 18805 4371 1 14 . 1 1 49 49 THR CB C 49 71.085 71.085 69.863 1.222 18805 4372 1 14 . 1 1 49 49 THR H H 49 7.071 7.071 8.144 -1.073 18805 4373 1 14 . 1 1 50 50 GLU N N 50 124.013 124.013 126.344 -2.331 18805 4374 1 14 . 1 1 50 50 GLU HA H 50 3.721 3.721 3.929 -0.208 18805 4375 1 14 . 1 1 50 50 GLU C C 50 178.112 178.112 178.274 -0.162 18805 4376 1 14 . 1 1 50 50 GLU CA C 50 60.982 60.982 60.214 0.768 18805 4377 1 14 . 1 1 50 50 GLU CB C 50 28.654 28.654 29.776 -1.122 18805 4378 1 14 . 1 1 50 50 GLU H H 50 9.271 9.271 9.092 0.179 18805 4379 1 14 . 1 1 51 51 ALA N N 51 119.708 119.708 121.450 -1.742 18805 4380 1 14 . 1 1 51 51 ALA HA H 51 4.108 4.108 4.229 -0.121 18805 4381 1 14 . 1 1 51 51 ALA C C 51 180.493 180.493 180.181 0.312 18805 4382 1 14 . 1 1 51 51 ALA CA C 51 55.200 55.200 55.035 0.165 18805 4383 1 14 . 1 1 51 51 ALA CB C 51 18.397 18.397 18.153 0.244 18805 4384 1 14 . 1 1 51 51 ALA H H 51 8.377 8.377 8.482 -0.105 18805 4385 1 14 . 1 1 52 52 ARG N N 52 117.740 117.740 119.067 -1.327 18805 4386 1 14 . 1 1 52 52 ARG HA H 52 4.213 4.213 4.327 -0.114 18805 4387 1 14 . 1 1 52 52 ARG C C 52 179.734 179.734 179.215 0.519 18805 4388 1 14 . 1 1 52 52 ARG CA C 52 59.006 59.006 58.597 0.409 18805 4389 1 14 . 1 1 52 52 ARG CB C 52 30.626 30.626 29.810 0.816 18805 4390 1 14 . 1 1 52 52 ARG H H 52 7.756 7.756 7.764 -0.008 18805 4391 1 14 . 1 1 53 53 VAL N N 53 120.607 120.607 120.472 0.135 18805 4392 1 14 . 1 1 53 53 VAL HA H 53 3.706 3.706 3.734 -0.028 18805 4393 1 14 . 1 1 53 53 VAL C C 53 177.734 177.734 177.986 -0.252 18805 4394 1 14 . 1 1 53 53 VAL CA C 53 67.350 67.350 66.471 0.879 18805 4395 1 14 . 1 1 53 53 VAL CB C 53 31.900 31.900 31.327 0.573 18805 4396 1 14 . 1 1 53 53 VAL H H 53 8.206 8.206 8.144 0.062 18805 4397 1 14 . 1 1 54 54 GLN N N 54 119.441 119.441 119.774 -0.333 18805 4398 1 14 . 1 1 54 54 GLN HA H 54 4.401 4.401 4.205 0.196 18805 4399 1 14 . 1 1 54 54 GLN C C 54 179.055 179.055 178.879 0.176 18805 4400 1 14 . 1 1 54 54 GLN CA C 54 60.036 60.036 59.576 0.460 18805 4401 1 14 . 1 1 54 54 GLN CB C 54 28.509 28.509 28.920 -0.411 18805 4402 1 14 . 1 1 54 54 GLN H H 54 8.747 8.747 8.321 0.426 18805 4403 1 14 . 1 1 55 55 VAL N N 55 119.951 119.951 119.242 0.709 18805 4404 1 14 . 1 1 55 55 VAL HA H 55 3.783 3.783 3.800 -0.017 18805 4405 1 14 . 1 1 55 55 VAL C C 55 177.751 177.751 177.559 0.192 18805 4406 1 14 . 1 1 55 55 VAL CA C 55 66.575 66.575 66.882 -0.307 18805 4407 1 14 . 1 1 55 55 VAL CB C 55 32.017 32.017 31.446 0.571 18805 4408 1 14 . 1 1 55 55 VAL H H 55 7.973 7.973 8.232 -0.259 18805 4409 1 14 . 1 1 56 56 TRP N N 56 121.386 121.386 121.885 -0.499 18805 4410 1 14 . 1 1 56 56 TRP HA H 56 4.075 4.075 4.090 -0.015 18805 4411 1 14 . 1 1 56 56 TRP C C 56 179.849 179.849 178.036 1.813 18805 4412 1 14 . 1 1 56 56 TRP CA C 56 63.249 63.249 61.440 1.809 18805 4413 1 14 . 1 1 56 56 TRP CB C 56 28.266 28.266 29.267 -1.001 18805 4414 1 14 . 1 1 56 56 TRP H H 56 8.351 8.351 7.586 0.765 18805 4415 1 14 . 1 1 57 57 PHE N N 57 118.444 118.444 117.434 1.010 18805 4416 1 14 . 1 1 57 57 PHE HA H 57 3.629 3.629 3.992 -0.363 18805 4417 1 14 . 1 1 57 57 PHE C C 57 178.058 178.058 178.226 -0.168 18805 4418 1 14 . 1 1 57 57 PHE CA C 57 63.831 63.831 62.352 1.479 18805 4419 1 14 . 1 1 57 57 PHE CB C 57 39.161 39.161 38.846 0.315 18805 4420 1 14 . 1 1 57 57 PHE H H 57 8.924 8.924 7.996 0.928 18805 4421 1 14 . 1 1 58 58 GLN N N 58 119.552 119.552 117.016 2.536 18805 4422 1 14 . 1 1 58 58 GLN HA H 58 3.958 3.958 4.036 -0.078 18805 4423 1 14 . 1 1 58 58 GLN C C 58 179.475 179.475 178.530 0.945 18805 4424 1 14 . 1 1 58 58 GLN CA C 58 59.730 59.730 58.439 1.291 18805 4425 1 14 . 1 1 58 58 GLN CB C 58 28.108 28.108 28.155 -0.047 18805 4426 1 14 . 1 1 58 58 GLN H H 58 8.322 8.322 8.329 -0.007 18805 4427 1 14 . 1 1 59 59 ASN N N 59 119.095 119.095 118.999 0.096 18805 4428 1 14 . 1 1 59 59 ASN HA H 59 4.344 4.344 4.413 -0.069 18805 4429 1 14 . 1 1 59 59 ASN C C 59 177.212 177.212 177.518 -0.306 18805 4430 1 14 . 1 1 59 59 ASN CA C 59 55.536 55.536 55.798 -0.262 18805 4431 1 14 . 1 1 59 59 ASN CB C 59 37.920 37.920 38.451 -0.531 18805 4432 1 14 . 1 1 59 59 ASN H H 59 8.158 8.158 8.302 -0.144 18805 4433 1 14 . 1 1 60 60 ARG N N 60 124.480 124.480 120.370 4.110 18805 4434 1 14 . 1 1 60 60 ARG HA H 60 3.383 3.383 3.683 -0.300 18805 4435 1 14 . 1 1 60 60 ARG C C 60 179.622 179.622 178.842 0.780 18805 4436 1 14 . 1 1 60 60 ARG CA C 60 56.532 56.532 58.456 -1.924 18805 4437 1 14 . 1 1 60 60 ARG CB C 60 27.904 27.904 29.304 -1.400 18805 4438 1 14 . 1 1 60 60 ARG H H 60 8.494 8.494 7.690 0.804 18805 4439 1 14 . 1 1 61 61 ARG N N 61 118.870 118.870 119.242 -0.372 18805 4440 1 14 . 1 1 61 61 ARG HA H 61 3.946 3.946 4.334 -0.388 18805 4441 1 14 . 1 1 61 61 ARG C C 61 178.392 178.392 178.571 -0.179 18805 4442 1 14 . 1 1 61 61 ARG CA C 61 60.599 60.599 59.358 1.241 18805 4443 1 14 . 1 1 61 61 ARG CB C 61 31.546 31.546 30.196 1.350 18805 4444 1 14 . 1 1 61 61 ARG H H 61 8.310 8.310 8.281 0.029 18805 4445 1 14 . 1 1 62 62 ALA N N 62 121.373 121.373 122.149 -0.776 18805 4446 1 14 . 1 1 62 62 ALA HA H 62 4.163 4.163 4.059 0.104 18805 4447 1 14 . 1 1 62 62 ALA C C 62 179.899 179.899 179.169 0.730 18805 4448 1 14 . 1 1 62 62 ALA CA C 62 55.109 55.109 55.509 -0.400 18805 4449 1 14 . 1 1 62 62 ALA CB C 62 17.754 17.754 18.252 -0.498 18805 4450 1 14 . 1 1 62 62 ALA H H 62 7.382 7.382 7.956 -0.574 18805 4451 1 14 . 1 1 63 63 LYS N N 63 118.540 118.540 118.276 0.264 18805 4452 1 14 . 1 1 63 63 LYS HA H 63 3.986 3.986 4.115 -0.129 18805 4453 1 14 . 1 1 63 63 LYS C C 63 178.259 178.259 178.775 -0.516 18805 4454 1 14 . 1 1 63 63 LYS CA C 63 58.727 58.727 58.328 0.400 18805 4455 1 14 . 1 1 63 63 LYS CB C 63 32.634 32.634 32.370 0.264 18805 4456 1 14 . 1 1 63 63 LYS H H 63 7.573 7.573 7.592 -0.019 18805 4457 1 14 . 1 1 64 64 TRP N N 64 121.094 121.094 120.491 0.603 18805 4458 1 14 . 1 1 64 64 TRP HA H 64 4.436 4.436 4.377 0.059 18805 4459 1 14 . 1 1 64 64 TRP C C 64 177.662 177.662 177.911 -0.249 18805 4460 1 14 . 1 1 64 64 TRP CA C 64 60.130 60.130 60.313 -0.183 18805 4461 1 14 . 1 1 64 64 TRP CB C 64 29.138 29.138 29.714 -0.576 18805 4462 1 14 . 1 1 64 64 TRP H H 64 8.032 8.032 7.899 0.133 18805 4463 1 14 . 1 1 65 65 ARG N N 65 118.674 118.674 117.365 1.309 18805 4464 1 14 . 1 1 65 65 ARG HA H 65 3.783 3.783 4.092 -0.309 18805 4465 1 14 . 1 1 65 65 ARG C C 65 177.342 177.342 176.400 0.942 18805 4466 1 14 . 1 1 65 65 ARG CA C 65 58.290 58.290 57.802 0.488 18805 4467 1 14 . 1 1 65 65 ARG CB C 65 30.580 30.580 31.042 -0.462 18805 4468 1 14 . 1 1 65 65 ARG H H 65 8.232 8.232 8.044 0.188 18805 4469 1 14 . 1 1 66 66 LYS N N 66 118.567 118.567 117.823 0.744 18805 4470 1 14 . 1 1 66 66 LYS HA H 66 4.122 4.122 4.403 -0.281 18805 4471 1 14 . 1 1 66 66 LYS C C 66 177.060 177.060 175.050 2.010 18805 4472 1 14 . 1 1 66 66 LYS CA C 66 57.389 57.389 56.353 1.036 18805 4473 1 14 . 1 1 66 66 LYS CB C 66 32.659 32.659 33.668 -1.009 18805 4474 1 14 . 1 1 66 66 LYS H H 66 7.591 7.591 7.847 -0.256 18805 4475 1 14 . 1 1 67 67 ARG N N 67 119.185 119.185 125.005 -5.820 18805 4476 1 14 . 1 1 67 67 ARG HA H 67 4.183 4.183 4.408 -0.225 18805 4477 1 14 . 1 1 67 67 ARG C C 67 176.830 176.830 176.230 0.600 18805 4478 1 14 . 1 1 67 67 ARG CA C 67 56.879 56.879 56.586 0.293 18805 4479 1 14 . 1 1 67 67 ARG CB C 67 30.226 30.226 31.307 -1.081 18805 4480 1 14 . 1 1 67 67 ARG H H 67 7.722 7.722 8.561 -0.839 18805 4481 1 14 . 1 1 68 68 GLU N N 68 120.614 120.614 120.579 0.035 18805 4482 1 14 . 1 1 68 68 GLU HA H 68 4.087 4.087 4.299 -0.212 18805 4483 1 14 . 1 1 68 68 GLU C C 68 176.803 176.803 175.659 1.144 18805 4484 1 14 . 1 1 68 68 GLU CA C 68 57.076 57.076 56.555 0.521 18805 4485 1 14 . 1 1 68 68 GLU CB C 68 30.099 30.099 30.044 0.055 18805 4486 1 14 . 1 1 68 68 GLU H H 68 8.157 8.157 8.289 -0.132 18805 4487 1 14 . 1 1 69 69 ARG N N 69 120.012 120.012 125.728 -5.716 18805 4488 1 14 . 1 1 69 69 ARG C C 69 176.270 176.270 174.994 1.276 18805 4489 1 14 . 1 1 69 69 ARG CA C 69 66.543 66.543 55.777 10.766 18805 4490 1 14 . 1 1 69 69 ARG CB C 69 32.203 32.203 31.662 0.541 18805 4491 1 14 . 1 1 69 69 ARG H H 69 7.974 7.974 8.690 -0.716 18805 4492 1 14 . 1 1 70 70 PHE HA H 70 4.577 4.577 4.859 -0.282 18805 4493 1 14 . 1 1 70 70 PHE CA C 70 58.021 58.021 56.882 1.139 18805 4494 1 14 . 1 1 70 70 PHE CB C 70 39.295 39.295 39.571 -0.276 18805 4495 1 15 . 1 1 16 16 PHE HA H 16 5.000 5.000 4.230 0.770 18805 4496 1 15 . 1 1 16 16 PHE C C 16 176.744 176.744 174.930 1.814 18805 4497 1 15 . 1 1 16 16 PHE CA C 16 57.425 57.425 59.395 -1.970 18805 4498 1 15 . 1 1 16 16 PHE CB C 16 41.475 41.475 37.886 3.589 18805 4499 1 15 . 1 1 16 16 PHE H H 16 9.114 9.114 8.096 1.018 18805 4500 1 15 . 1 1 17 17 THR N N 17 113.394 113.394 113.695 -0.301 18805 4501 1 15 . 1 1 17 17 THR HA H 17 4.552 4.552 4.774 -0.222 18805 4502 1 15 . 1 1 17 17 THR C C 17 175.352 175.352 174.963 0.389 18805 4503 1 15 . 1 1 17 17 THR CA C 17 60.392 60.392 60.854 -0.462 18805 4504 1 15 . 1 1 17 17 THR CB C 17 71.013 71.013 70.990 0.023 18805 4505 1 15 . 1 1 17 17 THR H H 17 9.106 9.106 8.419 0.687 18805 4506 1 15 . 1 1 18 18 SER HA H 18 4.146 4.146 4.167 -0.021 18805 4507 1 15 . 1 1 18 18 SER C C 18 176.860 176.860 176.020 0.840 18805 4508 1 15 . 1 1 18 18 SER CA C 18 62.173 62.173 62.560 -0.388 18805 4509 1 15 . 1 1 18 18 SER CB C 18 62.172 62.172 62.961 -0.789 18805 4510 1 15 . 1 1 19 19 TYR N N 19 121.561 121.561 122.281 -0.720 18805 4511 1 15 . 1 1 19 19 TYR HA H 19 4.340 4.340 4.182 0.158 18805 4512 1 15 . 1 1 19 19 TYR C C 19 176.860 176.860 177.373 -0.513 18805 4513 1 15 . 1 1 19 19 TYR CA C 19 60.736 60.736 61.511 -0.775 18805 4514 1 15 . 1 1 19 19 TYR CB C 19 38.557 38.557 38.211 0.346 18805 4515 1 15 . 1 1 19 19 TYR H H 19 8.145 8.145 8.753 -0.608 18805 4516 1 15 . 1 1 20 20 GLN N N 20 116.967 116.967 118.401 -1.434 18805 4517 1 15 . 1 1 20 20 GLN HA H 20 3.359 3.359 3.737 -0.378 18805 4518 1 15 . 1 1 20 20 GLN C C 20 177.344 177.344 178.106 -0.762 18805 4519 1 15 . 1 1 20 20 GLN CA C 20 59.633 59.633 59.246 0.387 18805 4520 1 15 . 1 1 20 20 GLN CB C 20 27.866 27.866 28.327 -0.461 18805 4521 1 15 . 1 1 20 20 GLN H H 20 7.545 7.545 7.907 -0.362 18805 4522 1 15 . 1 1 21 21 LEU N N 21 115.751 115.751 119.661 -3.910 18805 4523 1 15 . 1 1 21 21 LEU HA H 21 3.532 3.532 3.547 -0.015 18805 4524 1 15 . 1 1 21 21 LEU C C 21 178.858 178.858 179.137 -0.279 18805 4525 1 15 . 1 1 21 21 LEU CA C 21 57.774 57.774 57.662 0.112 18805 4526 1 15 . 1 1 21 21 LEU CB C 21 41.660 41.660 41.553 0.107 18805 4527 1 15 . 1 1 21 21 LEU H H 21 8.116 8.116 8.313 -0.197 18805 4528 1 15 . 1 1 22 22 GLU N N 22 118.939 118.939 118.318 0.621 18805 4529 1 15 . 1 1 22 22 GLU HA H 22 3.876 3.876 3.887 -0.011 18805 4530 1 15 . 1 1 22 22 GLU C C 22 179.617 179.617 179.152 0.465 18805 4531 1 15 . 1 1 22 22 GLU CA C 22 59.244 59.244 59.119 0.125 18805 4532 1 15 . 1 1 22 22 GLU CB C 22 29.454 29.454 28.786 0.668 18805 4533 1 15 . 1 1 22 22 GLU H H 22 8.108 8.108 7.731 0.378 18805 4534 1 15 . 1 1 23 23 GLU N N 23 117.643 117.643 119.444 -1.801 18805 4535 1 15 . 1 1 23 23 GLU HA H 23 3.699 3.699 3.862 -0.163 18805 4536 1 15 . 1 1 23 23 GLU C C 23 179.328 179.328 179.128 0.200 18805 4537 1 15 . 1 1 23 23 GLU CA C 23 58.616 58.616 58.840 -0.224 18805 4538 1 15 . 1 1 23 23 GLU CB C 23 29.191 29.191 29.116 0.075 18805 4539 1 15 . 1 1 23 23 GLU H H 23 7.631 7.631 7.588 0.043 18805 4540 1 15 . 1 1 24 24 LEU N N 24 122.218 122.218 119.495 2.723 18805 4541 1 15 . 1 1 24 24 LEU HA H 24 3.490 3.490 3.760 -0.270 18805 4542 1 15 . 1 1 24 24 LEU C C 24 177.731 177.731 178.760 -1.029 18805 4543 1 15 . 1 1 24 24 LEU CA C 24 58.732 58.732 57.506 1.226 18805 4544 1 15 . 1 1 24 24 LEU CB C 24 38.207 38.207 40.469 -2.262 18805 4545 1 15 . 1 1 24 24 LEU H H 24 7.995 7.995 7.843 0.152 18805 4546 1 15 . 1 1 25 25 GLU N N 25 118.406 118.406 119.611 -1.205 18805 4547 1 15 . 1 1 25 25 GLU HA H 25 4.278 4.278 4.131 0.147 18805 4548 1 15 . 1 1 25 25 GLU C C 25 179.059 179.059 179.128 -0.069 18805 4549 1 15 . 1 1 25 25 GLU CA C 25 58.612 58.612 59.722 -1.110 18805 4550 1 15 . 1 1 25 25 GLU CB C 25 28.957 28.957 29.400 -0.443 18805 4551 1 15 . 1 1 25 25 GLU H H 25 7.833 7.833 7.643 0.190 18805 4552 1 15 . 1 1 26 26 LYS N N 26 118.033 118.033 119.213 -1.180 18805 4553 1 15 . 1 1 26 26 LYS HA H 26 3.978 3.978 4.094 -0.116 18805 4554 1 15 . 1 1 26 26 LYS C C 26 180.388 180.388 179.441 0.947 18805 4555 1 15 . 1 1 26 26 LYS CA C 26 59.919 59.919 58.871 1.048 18805 4556 1 15 . 1 1 26 26 LYS CB C 26 32.821 32.821 32.242 0.579 18805 4557 1 15 . 1 1 26 26 LYS H H 26 7.795 7.795 7.784 0.011 18805 4558 1 15 . 1 1 27 27 VAL N N 27 118.207 118.207 119.790 -1.583 18805 4559 1 15 . 1 1 27 27 VAL HA H 27 3.853 3.853 3.710 0.143 18805 4560 1 15 . 1 1 27 27 VAL C C 27 177.057 177.057 177.693 -0.636 18805 4561 1 15 . 1 1 27 27 VAL CA C 27 66.944 66.944 66.224 0.720 18805 4562 1 15 . 1 1 27 27 VAL CB C 27 31.034 31.034 31.778 -0.744 18805 4563 1 15 . 1 1 27 27 VAL H H 27 7.316 7.316 7.716 -0.400 18805 4564 1 15 . 1 1 28 28 PHE N N 28 122.791 122.791 120.486 2.305 18805 4565 1 15 . 1 1 28 28 PHE HA H 28 4.744 4.744 4.579 0.165 18805 4566 1 15 . 1 1 28 28 PHE C C 28 175.721 175.721 176.439 -0.718 18805 4567 1 15 . 1 1 28 28 PHE CA C 28 61.452 61.452 60.279 1.173 18805 4568 1 15 . 1 1 28 28 PHE CB C 28 38.872 38.872 39.197 -0.325 18805 4569 1 15 . 1 1 28 28 PHE H H 28 8.540 8.540 7.911 0.629 18805 4570 1 15 . 1 1 29 29 GLN N N 29 112.048 112.048 117.045 -4.997 18805 4571 1 15 . 1 1 29 29 GLN HA H 29 3.843 3.843 4.006 -0.163 18805 4572 1 15 . 1 1 29 29 GLN C C 29 177.467 177.467 177.446 0.021 18805 4573 1 15 . 1 1 29 29 GLN CA C 29 57.595 57.595 57.502 0.093 18805 4574 1 15 . 1 1 29 29 GLN CB C 29 28.204 28.204 28.497 -0.293 18805 4575 1 15 . 1 1 29 29 GLN H H 29 8.129 8.129 7.697 0.432 18805 4576 1 15 . 1 1 30 30 LYS N N 30 118.854 118.854 119.083 -0.229 18805 4577 1 15 . 1 1 30 30 LYS HA H 30 4.260 4.260 4.182 0.078 18805 4578 1 15 . 1 1 30 30 LYS C C 30 176.920 176.920 177.244 -0.324 18805 4579 1 15 . 1 1 30 30 LYS CA C 30 57.449 57.449 58.164 -0.715 18805 4580 1 15 . 1 1 30 30 LYS CB C 30 33.450 33.450 33.415 0.035 18805 4581 1 15 . 1 1 30 30 LYS H H 30 7.599 7.599 7.779 -0.180 18805 4582 1 15 . 1 1 31 31 THR N N 31 115.210 115.210 112.318 2.892 18805 4583 1 15 . 1 1 31 31 THR HA H 31 4.279 4.279 4.528 -0.249 18805 4584 1 15 . 1 1 31 31 THR C C 31 171.092 171.092 173.894 -2.802 18805 4585 1 15 . 1 1 31 31 THR CA C 31 59.113 59.113 60.304 -1.191 18805 4586 1 15 . 1 1 31 31 THR CB C 31 69.375 69.375 70.210 -0.835 18805 4587 1 15 . 1 1 31 31 THR H H 31 8.840 8.840 8.120 0.720 18805 4588 1 15 . 1 1 32 32 HIS N N 32 123.048 123.048 125.607 -2.559 18805 4589 1 15 . 1 1 32 32 HIS HA H 32 4.343 4.343 4.388 -0.045 18805 4590 1 15 . 1 1 32 32 HIS C C 32 174.598 174.598 175.122 -0.524 18805 4591 1 15 . 1 1 32 32 HIS CA C 32 55.323 55.323 57.056 -1.732 18805 4592 1 15 . 1 1 32 32 HIS CB C 32 30.975 30.975 29.943 1.032 18805 4593 1 15 . 1 1 32 32 HIS H H 32 8.342 8.342 8.881 -0.539 18805 4594 1 15 . 1 1 33 33 TYR N N 33 114.650 114.650 119.995 -5.345 18805 4595 1 15 . 1 1 33 33 TYR HA H 33 4.703 4.703 4.795 -0.092 18805 4596 1 15 . 1 1 33 33 TYR C C 33 172.558 172.558 173.802 -1.244 18805 4597 1 15 . 1 1 33 33 TYR CA C 33 55.146 55.146 54.911 0.235 18805 4598 1 15 . 1 1 33 33 TYR CB C 33 38.868 38.868 39.279 -0.411 18805 4599 1 15 . 1 1 33 33 TYR H H 33 8.109 8.109 7.615 0.494 18805 4600 1 15 . 1 1 34 34 PRO HA H 34 4.273 4.273 4.514 -0.241 18805 4601 1 15 . 1 1 34 34 PRO C C 34 177.097 177.097 176.371 0.726 18805 4602 1 15 . 1 1 34 34 PRO CA C 34 62.413 62.413 62.829 -0.416 18805 4603 1 15 . 1 1 34 34 PRO CB C 34 30.790 30.790 32.389 -1.599 18805 4604 1 15 . 1 1 35 35 ASP N N 35 124.197 124.197 124.695 -0.498 18805 4605 1 15 . 1 1 35 35 ASP HA H 35 4.447 4.447 4.469 -0.022 18805 4606 1 15 . 1 1 35 35 ASP C C 35 175.603 175.603 178.000 -2.397 18805 4607 1 15 . 1 1 35 35 ASP CA C 35 52.685 52.685 55.009 -2.324 18805 4608 1 15 . 1 1 35 35 ASP CB C 35 40.952 40.952 42.340 -1.388 18805 4609 1 15 . 1 1 35 35 ASP H H 35 8.547 8.547 8.550 -0.003 18805 4610 1 15 . 1 1 36 36 VAL N N 36 118.006 118.006 122.450 -4.444 18805 4611 1 15 . 1 1 36 36 VAL HA H 36 3.473 3.473 3.713 -0.240 18805 4612 1 15 . 1 1 36 36 VAL C C 36 176.268 176.268 177.685 -1.417 18805 4613 1 15 . 1 1 36 36 VAL CA C 36 66.404 66.404 66.541 -0.137 18805 4614 1 15 . 1 1 36 36 VAL CB C 36 31.419 31.419 31.856 -0.437 18805 4615 1 15 . 1 1 36 36 VAL H H 36 8.281 8.281 8.560 -0.279 18805 4616 1 15 . 1 1 37 37 TYR N N 37 121.225 121.225 120.677 0.548 18805 4617 1 15 . 1 1 37 37 TYR HA H 37 4.305 4.305 4.256 0.049 18805 4618 1 15 . 1 1 37 37 TYR C C 37 178.136 178.136 177.306 0.830 18805 4619 1 15 . 1 1 37 37 TYR CA C 37 60.808 60.808 61.787 -0.979 18805 4620 1 15 . 1 1 37 37 TYR CB C 37 37.392 37.392 37.401 -0.009 18805 4621 1 15 . 1 1 37 37 TYR H H 37 7.423 7.423 8.326 -0.903 18805 4622 1 15 . 1 1 38 38 ALA N N 38 122.550 122.550 121.198 1.352 18805 4623 1 15 . 1 1 38 38 ALA HA H 38 4.071 4.071 4.061 0.010 18805 4624 1 15 . 1 1 38 38 ALA C C 38 182.258 182.258 179.934 2.324 18805 4625 1 15 . 1 1 38 38 ALA CA C 38 54.885 54.885 55.070 -0.185 18805 4626 1 15 . 1 1 38 38 ALA CB C 38 18.336 18.336 17.999 0.337 18805 4627 1 15 . 1 1 38 38 ALA H H 38 8.376 8.376 8.504 -0.128 18805 4628 1 15 . 1 1 39 39 ARG N N 39 117.400 117.400 118.260 -0.860 18805 4629 1 15 . 1 1 39 39 ARG HA H 39 3.834 3.834 3.886 -0.052 18805 4630 1 15 . 1 1 39 39 ARG C C 39 178.142 178.142 179.018 -0.876 18805 4631 1 15 . 1 1 39 39 ARG CA C 39 60.991 60.991 59.519 1.472 18805 4632 1 15 . 1 1 39 39 ARG CB C 39 31.335 31.335 30.022 1.313 18805 4633 1 15 . 1 1 39 39 ARG H H 39 8.699 8.699 8.163 0.536 18805 4634 1 15 . 1 1 40 40 GLU N N 40 121.231 121.231 119.641 1.590 18805 4635 1 15 . 1 1 40 40 GLU HA H 40 3.943 3.943 3.975 -0.032 18805 4636 1 15 . 1 1 40 40 GLU C C 40 179.598 179.598 178.856 0.742 18805 4637 1 15 . 1 1 40 40 GLU CA C 40 59.805 59.805 59.106 0.699 18805 4638 1 15 . 1 1 40 40 GLU CB C 40 29.508 29.508 29.002 0.506 18805 4639 1 15 . 1 1 40 40 GLU H H 40 8.672 8.672 7.868 0.804 18805 4640 1 15 . 1 1 41 41 GLN N N 41 118.662 118.662 118.510 0.152 18805 4641 1 15 . 1 1 41 41 GLN HA H 41 3.958 3.958 3.943 0.015 18805 4642 1 15 . 1 1 41 41 GLN C C 41 178.675 178.675 178.723 -0.048 18805 4643 1 15 . 1 1 41 41 GLN CA C 41 58.594 58.594 58.279 0.315 18805 4644 1 15 . 1 1 41 41 GLN CB C 41 28.396 28.396 28.339 0.057 18805 4645 1 15 . 1 1 41 41 GLN H H 41 8.264 8.264 7.745 0.519 18805 4646 1 15 . 1 1 42 42 LEU N N 42 121.044 121.044 120.604 0.440 18805 4647 1 15 . 1 1 42 42 LEU HA H 42 4.009 4.009 4.014 -0.005 18805 4648 1 15 . 1 1 42 42 LEU C C 42 179.727 179.727 178.525 1.202 18805 4649 1 15 . 1 1 42 42 LEU CA C 42 57.600 57.600 57.263 0.337 18805 4650 1 15 . 1 1 42 42 LEU CB C 42 42.752 42.752 41.388 1.364 18805 4651 1 15 . 1 1 42 42 LEU H H 42 7.909 7.909 7.852 0.057 18805 4652 1 15 . 1 1 43 43 ALA N N 43 124.342 124.342 122.252 2.090 18805 4653 1 15 . 1 1 43 43 ALA HA H 43 3.697 3.697 4.062 -0.365 18805 4654 1 15 . 1 1 43 43 ALA C C 43 179.056 179.056 179.802 -0.746 18805 4655 1 15 . 1 1 43 43 ALA CA C 43 55.561 55.561 54.754 0.807 18805 4656 1 15 . 1 1 43 43 ALA CB C 43 17.186 17.186 18.626 -1.440 18805 4657 1 15 . 1 1 43 43 ALA H H 43 8.647 8.647 7.924 0.723 18805 4658 1 15 . 1 1 44 44 MET N N 44 115.878 115.878 115.397 0.481 18805 4659 1 15 . 1 1 44 44 MET HA H 44 4.262 4.262 4.279 -0.017 18805 4660 1 15 . 1 1 44 44 MET C C 44 179.154 179.154 178.238 0.916 18805 4661 1 15 . 1 1 44 44 MET CA C 44 58.569 58.569 56.871 1.698 18805 4662 1 15 . 1 1 44 44 MET CB C 44 32.138 32.138 31.405 0.733 18805 4663 1 15 . 1 1 44 44 MET H H 44 7.926 7.926 7.944 -0.018 18805 4664 1 15 . 1 1 45 45 ARG N N 45 116.503 116.503 117.654 -1.151 18805 4665 1 15 . 1 1 45 45 ARG HA H 45 4.402 4.402 4.257 0.145 18805 4666 1 15 . 1 1 45 45 ARG C C 45 177.591 177.591 178.201 -0.610 18805 4667 1 15 . 1 1 45 45 ARG CA C 45 58.315 58.315 58.327 -0.012 18805 4668 1 15 . 1 1 45 45 ARG CB C 45 30.909 30.909 30.371 0.538 18805 4669 1 15 . 1 1 45 45 ARG H H 45 7.903 7.903 7.953 -0.050 18805 4670 1 15 . 1 1 46 46 THR N N 46 105.711 105.711 108.285 -2.574 18805 4671 1 15 . 1 1 46 46 THR HA H 46 4.501 4.501 4.558 -0.057 18805 4672 1 15 . 1 1 46 46 THR C C 46 174.417 174.417 174.813 -0.396 18805 4673 1 15 . 1 1 46 46 THR CA C 46 61.808 61.808 62.573 -0.765 18805 4674 1 15 . 1 1 46 46 THR CB C 46 70.714 70.714 69.264 1.450 18805 4675 1 15 . 1 1 46 46 THR H H 46 7.662 7.662 7.846 -0.184 18805 4676 1 15 . 1 1 47 47 ASP N N 47 120.391 120.391 118.619 1.772 18805 4677 1 15 . 1 1 47 47 ASP HA H 47 4.472 4.472 4.318 0.154 18805 4678 1 15 . 1 1 47 47 ASP C C 47 174.537 174.537 175.325 -0.788 18805 4679 1 15 . 1 1 47 47 ASP CA C 47 55.933 55.933 55.539 0.393 18805 4680 1 15 . 1 1 47 47 ASP CB C 47 39.565 39.565 38.797 0.768 18805 4681 1 15 . 1 1 47 47 ASP H H 47 7.922 7.922 8.049 -0.127 18805 4682 1 15 . 1 1 48 48 LEU N N 48 118.406 118.406 118.120 0.286 18805 4683 1 15 . 1 1 48 48 LEU HA H 48 4.891 4.891 4.706 0.185 18805 4684 1 15 . 1 1 48 48 LEU C C 48 176.180 176.180 175.925 0.255 18805 4685 1 15 . 1 1 48 48 LEU CA C 48 52.943 52.943 54.023 -1.080 18805 4686 1 15 . 1 1 48 48 LEU CB C 48 46.638 46.638 43.981 2.657 18805 4687 1 15 . 1 1 48 48 LEU H H 48 8.072 8.072 7.977 0.095 18805 4688 1 15 . 1 1 49 49 THR N N 49 106.891 106.891 109.571 -2.680 18805 4689 1 15 . 1 1 49 49 THR HA H 49 4.597 4.597 4.559 0.038 18805 4690 1 15 . 1 1 49 49 THR C C 49 175.667 175.667 175.305 0.362 18805 4691 1 15 . 1 1 49 49 THR CA C 49 59.573 59.573 59.892 -0.319 18805 4692 1 15 . 1 1 49 49 THR CB C 49 71.085 71.085 71.323 -0.238 18805 4693 1 15 . 1 1 49 49 THR H H 49 7.071 7.071 8.026 -0.955 18805 4694 1 15 . 1 1 50 50 GLU N N 50 124.013 124.013 123.208 0.805 18805 4695 1 15 . 1 1 50 50 GLU HA H 50 3.721 3.721 3.839 -0.118 18805 4696 1 15 . 1 1 50 50 GLU C C 50 178.112 178.112 178.122 -0.010 18805 4697 1 15 . 1 1 50 50 GLU CA C 50 60.982 60.982 60.307 0.675 18805 4698 1 15 . 1 1 50 50 GLU CB C 50 28.654 28.654 29.787 -1.133 18805 4699 1 15 . 1 1 50 50 GLU H H 50 9.271 9.271 9.066 0.205 18805 4700 1 15 . 1 1 51 51 ALA N N 51 119.708 119.708 122.184 -2.476 18805 4701 1 15 . 1 1 51 51 ALA HA H 51 4.108 4.108 3.985 0.123 18805 4702 1 15 . 1 1 51 51 ALA C C 51 180.493 180.493 179.703 0.790 18805 4703 1 15 . 1 1 51 51 ALA CA C 51 55.200 55.200 55.315 -0.115 18805 4704 1 15 . 1 1 51 51 ALA CB C 51 18.397 18.397 18.267 0.130 18805 4705 1 15 . 1 1 51 51 ALA H H 51 8.377 8.377 8.384 -0.007 18805 4706 1 15 . 1 1 52 52 ARG N N 52 117.740 117.740 118.472 -0.732 18805 4707 1 15 . 1 1 52 52 ARG HA H 52 4.213 4.213 4.236 -0.023 18805 4708 1 15 . 1 1 52 52 ARG C C 52 179.734 179.734 179.190 0.544 18805 4709 1 15 . 1 1 52 52 ARG CA C 52 59.006 59.006 59.290 -0.284 18805 4710 1 15 . 1 1 52 52 ARG CB C 52 30.626 30.626 30.442 0.184 18805 4711 1 15 . 1 1 52 52 ARG H H 52 7.756 7.756 7.581 0.175 18805 4712 1 15 . 1 1 53 53 VAL N N 53 120.607 120.607 120.000 0.607 18805 4713 1 15 . 1 1 53 53 VAL HA H 53 3.706 3.706 3.685 0.021 18805 4714 1 15 . 1 1 53 53 VAL C C 53 177.734 177.734 178.243 -0.509 18805 4715 1 15 . 1 1 53 53 VAL CA C 53 67.350 67.350 66.283 1.067 18805 4716 1 15 . 1 1 53 53 VAL CB C 53 31.900 31.900 31.053 0.847 18805 4717 1 15 . 1 1 53 53 VAL H H 53 8.206 8.206 7.932 0.274 18805 4718 1 15 . 1 1 54 54 GLN N N 54 119.441 119.441 119.118 0.323 18805 4719 1 15 . 1 1 54 54 GLN HA H 54 4.401 4.401 4.038 0.363 18805 4720 1 15 . 1 1 54 54 GLN C C 54 179.055 179.055 178.923 0.132 18805 4721 1 15 . 1 1 54 54 GLN CA C 54 60.036 60.036 59.214 0.822 18805 4722 1 15 . 1 1 54 54 GLN CB C 54 28.509 28.509 28.677 -0.168 18805 4723 1 15 . 1 1 54 54 GLN H H 54 8.747 8.747 8.075 0.672 18805 4724 1 15 . 1 1 55 55 VAL N N 55 119.951 119.951 120.134 -0.183 18805 4725 1 15 . 1 1 55 55 VAL HA H 55 3.783 3.783 3.839 -0.056 18805 4726 1 15 . 1 1 55 55 VAL C C 55 177.751 177.751 178.081 -0.330 18805 4727 1 15 . 1 1 55 55 VAL CA C 55 66.575 66.575 67.249 -0.674 18805 4728 1 15 . 1 1 55 55 VAL CB C 55 32.017 32.017 31.512 0.505 18805 4729 1 15 . 1 1 55 55 VAL H H 55 7.973 7.973 7.939 0.034 18805 4730 1 15 . 1 1 56 56 TRP N N 56 121.386 121.386 121.558 -0.172 18805 4731 1 15 . 1 1 56 56 TRP HA H 56 4.075 4.075 4.309 -0.234 18805 4732 1 15 . 1 1 56 56 TRP C C 56 179.849 179.849 178.214 1.635 18805 4733 1 15 . 1 1 56 56 TRP CA C 56 63.249 63.249 61.940 1.310 18805 4734 1 15 . 1 1 56 56 TRP CB C 56 28.266 28.266 29.689 -1.423 18805 4735 1 15 . 1 1 56 56 TRP H H 56 8.351 8.351 7.811 0.540 18805 4736 1 15 . 1 1 57 57 PHE N N 57 118.444 118.444 117.670 0.774 18805 4737 1 15 . 1 1 57 57 PHE HA H 57 3.629 3.629 3.991 -0.362 18805 4738 1 15 . 1 1 57 57 PHE C C 57 178.058 178.058 178.528 -0.470 18805 4739 1 15 . 1 1 57 57 PHE CA C 57 63.831 63.831 62.421 1.410 18805 4740 1 15 . 1 1 57 57 PHE CB C 57 39.161 39.161 38.705 0.456 18805 4741 1 15 . 1 1 57 57 PHE H H 57 8.924 8.924 8.404 0.520 18805 4742 1 15 . 1 1 58 58 GLN N N 58 119.552 119.552 117.555 1.997 18805 4743 1 15 . 1 1 58 58 GLN HA H 58 3.958 3.958 3.929 0.029 18805 4744 1 15 . 1 1 58 58 GLN C C 58 179.475 179.475 178.252 1.223 18805 4745 1 15 . 1 1 58 58 GLN CA C 58 59.730 59.730 59.185 0.545 18805 4746 1 15 . 1 1 58 58 GLN CB C 58 28.108 28.108 28.538 -0.430 18805 4747 1 15 . 1 1 58 58 GLN H H 58 8.322 8.322 8.677 -0.355 18805 4748 1 15 . 1 1 59 59 ASN N N 59 119.095 119.095 118.745 0.350 18805 4749 1 15 . 1 1 59 59 ASN HA H 59 4.344 4.344 4.447 -0.102 18805 4750 1 15 . 1 1 59 59 ASN C C 59 177.212 177.212 177.684 -0.472 18805 4751 1 15 . 1 1 59 59 ASN CA C 59 55.536 55.536 56.127 -0.591 18805 4752 1 15 . 1 1 59 59 ASN CB C 59 37.920 37.920 38.566 -0.646 18805 4753 1 15 . 1 1 59 59 ASN H H 59 8.158 8.158 7.945 0.213 18805 4754 1 15 . 1 1 60 60 ARG N N 60 124.480 124.480 119.636 4.844 18805 4755 1 15 . 1 1 60 60 ARG HA H 60 3.383 3.383 3.789 -0.406 18805 4756 1 15 . 1 1 60 60 ARG C C 60 179.622 179.622 178.589 1.033 18805 4757 1 15 . 1 1 60 60 ARG CA C 60 56.532 56.532 58.147 -1.615 18805 4758 1 15 . 1 1 60 60 ARG CB C 60 27.904 27.904 28.854 -0.950 18805 4759 1 15 . 1 1 60 60 ARG H H 60 8.494 8.494 7.745 0.749 18805 4760 1 15 . 1 1 61 61 ARG N N 61 118.870 118.870 119.848 -0.978 18805 4761 1 15 . 1 1 61 61 ARG HA H 61 3.946 3.946 4.368 -0.422 18805 4762 1 15 . 1 1 61 61 ARG C C 61 178.392 178.392 178.076 0.316 18805 4763 1 15 . 1 1 61 61 ARG CA C 61 60.599 60.599 58.639 1.960 18805 4764 1 15 . 1 1 61 61 ARG CB C 61 31.546 31.546 29.953 1.593 18805 4765 1 15 . 1 1 61 61 ARG H H 61 8.310 8.310 8.042 0.268 18805 4766 1 15 . 1 1 62 62 ALA N N 62 121.373 121.373 120.689 0.684 18805 4767 1 15 . 1 1 62 62 ALA HA H 62 4.163 4.163 4.187 -0.024 18805 4768 1 15 . 1 1 62 62 ALA C C 62 179.899 179.899 178.466 1.433 18805 4769 1 15 . 1 1 62 62 ALA CA C 62 55.109 55.109 54.602 0.507 18805 4770 1 15 . 1 1 62 62 ALA CB C 62 17.754 17.754 18.334 -0.580 18805 4771 1 15 . 1 1 62 62 ALA H H 62 7.382 7.382 7.842 -0.460 18805 4772 1 15 . 1 1 63 63 LYS N N 63 118.540 118.540 118.496 0.044 18805 4773 1 15 . 1 1 63 63 LYS HA H 63 3.986 3.986 4.058 -0.072 18805 4774 1 15 . 1 1 63 63 LYS C C 63 178.259 178.259 178.786 -0.527 18805 4775 1 15 . 1 1 63 63 LYS CA C 63 58.727 58.727 58.808 -0.081 18805 4776 1 15 . 1 1 63 63 LYS CB C 63 32.634 32.634 32.458 0.176 18805 4777 1 15 . 1 1 63 63 LYS H H 63 7.573 7.573 7.512 0.061 18805 4778 1 15 . 1 1 64 64 TRP N N 64 121.094 121.094 120.025 1.069 18805 4779 1 15 . 1 1 64 64 TRP HA H 64 4.436 4.436 4.451 -0.015 18805 4780 1 15 . 1 1 64 64 TRP C C 64 177.662 177.662 177.710 -0.048 18805 4781 1 15 . 1 1 64 64 TRP CA C 64 60.130 60.130 59.905 0.225 18805 4782 1 15 . 1 1 64 64 TRP CB C 64 29.138 29.138 30.017 -0.879 18805 4783 1 15 . 1 1 64 64 TRP H H 64 8.032 8.032 7.991 0.041 18805 4784 1 15 . 1 1 65 65 ARG N N 65 118.674 118.674 119.205 -0.531 18805 4785 1 15 . 1 1 65 65 ARG HA H 65 3.783 3.783 4.641 -0.858 18805 4786 1 15 . 1 1 65 65 ARG C C 65 177.342 177.342 175.041 2.301 18805 4787 1 15 . 1 1 65 65 ARG CA C 65 58.290 58.290 54.656 3.634 18805 4788 1 15 . 1 1 65 65 ARG CB C 65 30.580 30.580 28.856 1.724 18805 4789 1 15 . 1 1 65 65 ARG H H 65 8.232 8.232 7.700 0.532 18805 4790 1 15 . 1 1 66 66 LYS N N 66 118.567 118.567 120.089 -1.522 18805 4791 1 15 . 1 1 66 66 LYS HA H 66 4.122 4.122 3.982 0.140 18805 4792 1 15 . 1 1 66 66 LYS C C 66 177.060 177.060 175.688 1.372 18805 4793 1 15 . 1 1 66 66 LYS CA C 66 57.389 57.389 56.962 0.427 18805 4794 1 15 . 1 1 66 66 LYS CB C 66 32.659 32.659 32.151 0.507 18805 4795 1 15 . 1 1 66 66 LYS H H 66 7.591 7.591 7.430 0.161 18805 4796 1 15 . 1 1 67 67 ARG N N 67 119.185 119.185 122.710 -3.525 18805 4797 1 15 . 1 1 67 67 ARG HA H 67 4.183 4.183 4.174 0.009 18805 4798 1 15 . 1 1 67 67 ARG C C 67 176.830 176.830 176.899 -0.069 18805 4799 1 15 . 1 1 67 67 ARG CA C 67 56.879 56.879 57.805 -0.926 18805 4800 1 15 . 1 1 67 67 ARG CB C 67 30.226 30.226 30.547 -0.321 18805 4801 1 15 . 1 1 67 67 ARG H H 67 7.722 7.722 8.508 -0.785 18805 4802 1 15 . 1 1 68 68 GLU N N 68 120.614 120.614 120.873 -0.259 18805 4803 1 15 . 1 1 68 68 GLU HA H 68 4.087 4.087 4.381 -0.294 18805 4804 1 15 . 1 1 68 68 GLU C C 68 176.803 176.803 176.649 0.154 18805 4805 1 15 . 1 1 68 68 GLU CA C 68 57.076 57.076 56.021 1.055 18805 4806 1 15 . 1 1 68 68 GLU CB C 68 30.099 30.099 29.190 0.909 18805 4807 1 15 . 1 1 68 68 GLU H H 68 8.157 8.157 8.307 -0.150 18805 4808 1 15 . 1 1 69 69 ARG N N 69 120.012 120.012 123.491 -3.479 18805 4809 1 15 . 1 1 69 69 ARG C C 69 176.270 176.270 175.805 0.465 18805 4810 1 15 . 1 1 69 69 ARG CA C 69 66.543 66.543 55.936 10.607 18805 4811 1 15 . 1 1 69 69 ARG CB C 69 32.203 32.203 30.381 1.822 18805 4812 1 15 . 1 1 69 69 ARG H H 69 7.974 7.974 8.727 -0.753 18805 4813 1 15 . 1 1 70 70 PHE HA H 70 4.577 4.577 4.826 -0.249 18805 4814 1 15 . 1 1 70 70 PHE CA C 70 58.021 58.021 58.840 -0.819 18805 4815 1 15 . 1 1 70 70 PHE CB C 70 39.295 39.295 39.873 -0.578 18805 4816 1 16 . 1 1 16 16 PHE HA H 16 5.000 5.000 4.827 0.173 18805 4817 1 16 . 1 1 16 16 PHE C C 16 176.744 176.744 176.875 -0.131 18805 4818 1 16 . 1 1 16 16 PHE CA C 16 57.425 57.425 57.015 0.410 18805 4819 1 16 . 1 1 16 16 PHE CB C 16 41.475 41.475 39.104 2.371 18805 4820 1 16 . 1 1 16 16 PHE H H 16 9.114 9.114 7.621 1.493 18805 4821 1 16 . 1 1 17 17 THR N N 17 113.394 113.394 117.125 -3.731 18805 4822 1 16 . 1 1 17 17 THR HA H 17 4.552 4.552 4.436 0.116 18805 4823 1 16 . 1 1 17 17 THR C C 17 175.352 175.352 175.804 -0.452 18805 4824 1 16 . 1 1 17 17 THR CA C 17 60.392 60.392 61.500 -1.108 18805 4825 1 16 . 1 1 17 17 THR CB C 17 71.013 71.013 70.582 0.431 18805 4826 1 16 . 1 1 17 17 THR H H 17 9.106 9.106 8.855 0.251 18805 4827 1 16 . 1 1 18 18 SER HA H 18 4.146 4.146 4.141 0.005 18805 4828 1 16 . 1 1 18 18 SER C C 18 176.860 176.860 176.329 0.531 18805 4829 1 16 . 1 1 18 18 SER CA C 18 62.173 62.173 62.344 -0.171 18805 4830 1 16 . 1 1 18 18 SER CB C 18 62.172 62.172 62.894 -0.722 18805 4831 1 16 . 1 1 19 19 TYR N N 19 121.561 121.561 122.655 -1.094 18805 4832 1 16 . 1 1 19 19 TYR HA H 19 4.340 4.340 4.513 -0.173 18805 4833 1 16 . 1 1 19 19 TYR C C 19 176.860 176.860 177.527 -0.667 18805 4834 1 16 . 1 1 19 19 TYR CA C 19 60.736 60.736 60.923 -0.187 18805 4835 1 16 . 1 1 19 19 TYR CB C 19 38.557 38.557 38.225 0.332 18805 4836 1 16 . 1 1 19 19 TYR H H 19 8.145 8.145 8.087 0.058 18805 4837 1 16 . 1 1 20 20 GLN N N 20 116.967 116.967 118.290 -1.323 18805 4838 1 16 . 1 1 20 20 GLN HA H 20 3.359 3.359 3.782 -0.423 18805 4839 1 16 . 1 1 20 20 GLN C C 20 177.344 177.344 178.219 -0.875 18805 4840 1 16 . 1 1 20 20 GLN CA C 20 59.633 59.633 59.193 0.440 18805 4841 1 16 . 1 1 20 20 GLN CB C 20 27.866 27.866 28.760 -0.894 18805 4842 1 16 . 1 1 20 20 GLN H H 20 7.545 7.545 7.682 -0.137 18805 4843 1 16 . 1 1 21 21 LEU N N 21 115.751 115.751 119.468 -3.717 18805 4844 1 16 . 1 1 21 21 LEU HA H 21 3.532 3.532 3.551 -0.019 18805 4845 1 16 . 1 1 21 21 LEU C C 21 178.858 178.858 178.839 0.019 18805 4846 1 16 . 1 1 21 21 LEU CA C 21 57.774 57.774 57.740 0.034 18805 4847 1 16 . 1 1 21 21 LEU CB C 21 41.660 41.660 41.459 0.201 18805 4848 1 16 . 1 1 21 21 LEU H H 21 8.116 8.116 8.225 -0.109 18805 4849 1 16 . 1 1 22 22 GLU N N 22 118.939 118.939 119.192 -0.253 18805 4850 1 16 . 1 1 22 22 GLU HA H 22 3.876 3.876 3.808 0.068 18805 4851 1 16 . 1 1 22 22 GLU C C 22 179.617 179.617 179.025 0.592 18805 4852 1 16 . 1 1 22 22 GLU CA C 22 59.244 59.244 59.643 -0.399 18805 4853 1 16 . 1 1 22 22 GLU CB C 22 29.454 29.454 29.156 0.298 18805 4854 1 16 . 1 1 22 22 GLU H H 22 8.108 8.108 7.705 0.403 18805 4855 1 16 . 1 1 23 23 GLU N N 23 117.643 117.643 118.490 -0.847 18805 4856 1 16 . 1 1 23 23 GLU HA H 23 3.699 3.699 3.903 -0.204 18805 4857 1 16 . 1 1 23 23 GLU C C 23 179.328 179.328 179.236 0.092 18805 4858 1 16 . 1 1 23 23 GLU CA C 23 58.616 58.616 58.784 -0.168 18805 4859 1 16 . 1 1 23 23 GLU CB C 23 29.191 29.191 29.161 0.030 18805 4860 1 16 . 1 1 23 23 GLU H H 23 7.631 7.631 7.454 0.177 18805 4861 1 16 . 1 1 24 24 LEU N N 24 122.218 122.218 119.857 2.361 18805 4862 1 16 . 1 1 24 24 LEU HA H 24 3.490 3.490 3.752 -0.262 18805 4863 1 16 . 1 1 24 24 LEU C C 24 177.731 177.731 179.039 -1.308 18805 4864 1 16 . 1 1 24 24 LEU CA C 24 58.732 58.732 57.538 1.194 18805 4865 1 16 . 1 1 24 24 LEU CB C 24 38.207 38.207 40.574 -2.367 18805 4866 1 16 . 1 1 24 24 LEU H H 24 7.995 7.995 7.746 0.249 18805 4867 1 16 . 1 1 25 25 GLU N N 25 118.406 118.406 118.966 -0.560 18805 4868 1 16 . 1 1 25 25 GLU HA H 25 4.278 4.278 4.186 0.092 18805 4869 1 16 . 1 1 25 25 GLU C C 25 179.059 179.059 179.185 -0.126 18805 4870 1 16 . 1 1 25 25 GLU CA C 25 58.612 58.612 59.514 -0.902 18805 4871 1 16 . 1 1 25 25 GLU CB C 25 28.957 28.957 29.176 -0.219 18805 4872 1 16 . 1 1 25 25 GLU H H 25 7.833 7.833 7.796 0.037 18805 4873 1 16 . 1 1 26 26 LYS N N 26 118.033 118.033 119.580 -1.547 18805 4874 1 16 . 1 1 26 26 LYS HA H 26 3.978 3.978 4.037 -0.059 18805 4875 1 16 . 1 1 26 26 LYS C C 26 180.388 180.388 179.440 0.948 18805 4876 1 16 . 1 1 26 26 LYS CA C 26 59.919 59.919 59.466 0.453 18805 4877 1 16 . 1 1 26 26 LYS CB C 26 32.821 32.821 32.362 0.459 18805 4878 1 16 . 1 1 26 26 LYS H H 26 7.795 7.795 7.841 -0.046 18805 4879 1 16 . 1 1 27 27 VAL N N 27 118.207 118.207 118.864 -0.657 18805 4880 1 16 . 1 1 27 27 VAL HA H 27 3.853 3.853 3.726 0.127 18805 4881 1 16 . 1 1 27 27 VAL C C 27 177.057 177.057 177.772 -0.715 18805 4882 1 16 . 1 1 27 27 VAL CA C 27 66.944 66.944 65.936 1.008 18805 4883 1 16 . 1 1 27 27 VAL CB C 27 31.034 31.034 31.877 -0.843 18805 4884 1 16 . 1 1 27 27 VAL H H 27 7.316 7.316 7.424 -0.108 18805 4885 1 16 . 1 1 28 28 PHE N N 28 122.791 122.791 120.847 1.944 18805 4886 1 16 . 1 1 28 28 PHE HA H 28 4.744 4.744 4.804 -0.060 18805 4887 1 16 . 1 1 28 28 PHE C C 28 175.721 175.721 177.071 -1.350 18805 4888 1 16 . 1 1 28 28 PHE CA C 28 61.452 61.452 60.791 0.661 18805 4889 1 16 . 1 1 28 28 PHE CB C 28 38.872 38.872 39.524 -0.652 18805 4890 1 16 . 1 1 28 28 PHE H H 28 8.540 8.540 8.015 0.525 18805 4891 1 16 . 1 1 29 29 GLN N N 29 112.048 112.048 117.166 -5.118 18805 4892 1 16 . 1 1 29 29 GLN HA H 29 3.843 3.843 4.080 -0.237 18805 4893 1 16 . 1 1 29 29 GLN C C 29 177.467 177.467 177.542 -0.075 18805 4894 1 16 . 1 1 29 29 GLN CA C 29 57.595 57.595 57.722 -0.127 18805 4895 1 16 . 1 1 29 29 GLN CB C 29 28.204 28.204 28.584 -0.380 18805 4896 1 16 . 1 1 29 29 GLN H H 29 8.129 8.129 8.247 -0.118 18805 4897 1 16 . 1 1 30 30 LYS N N 30 118.854 118.854 117.585 1.269 18805 4898 1 16 . 1 1 30 30 LYS HA H 30 4.260 4.260 4.195 0.065 18805 4899 1 16 . 1 1 30 30 LYS C C 30 176.920 176.920 177.028 -0.108 18805 4900 1 16 . 1 1 30 30 LYS CA C 30 57.449 57.449 57.444 0.005 18805 4901 1 16 . 1 1 30 30 LYS CB C 30 33.450 33.450 33.613 -0.163 18805 4902 1 16 . 1 1 30 30 LYS H H 30 7.599 7.599 7.658 -0.059 18805 4903 1 16 . 1 1 31 31 THR N N 31 115.210 115.210 112.935 2.275 18805 4904 1 16 . 1 1 31 31 THR HA H 31 4.279 4.279 4.247 0.032 18805 4905 1 16 . 1 1 31 31 THR C C 31 171.092 171.092 173.806 -2.714 18805 4906 1 16 . 1 1 31 31 THR CA C 31 59.113 59.113 60.684 -1.571 18805 4907 1 16 . 1 1 31 31 THR CB C 31 69.375 69.375 70.207 -0.832 18805 4908 1 16 . 1 1 31 31 THR H H 31 8.840 8.840 7.930 0.910 18805 4909 1 16 . 1 1 32 32 HIS N N 32 123.048 123.048 126.646 -3.598 18805 4910 1 16 . 1 1 32 32 HIS HA H 32 4.343 4.343 4.105 0.238 18805 4911 1 16 . 1 1 32 32 HIS C C 32 174.598 174.598 174.994 -0.396 18805 4912 1 16 . 1 1 32 32 HIS CA C 32 55.323 55.323 57.356 -2.033 18805 4913 1 16 . 1 1 32 32 HIS CB C 32 30.975 30.975 29.446 1.529 18805 4914 1 16 . 1 1 32 32 HIS H H 32 8.342 8.342 8.382 -0.040 18805 4915 1 16 . 1 1 33 33 TYR N N 33 114.650 114.650 119.452 -4.802 18805 4916 1 16 . 1 1 33 33 TYR HA H 33 4.703 4.703 4.776 -0.073 18805 4917 1 16 . 1 1 33 33 TYR C C 33 172.558 172.558 173.729 -1.171 18805 4918 1 16 . 1 1 33 33 TYR CA C 33 55.146 55.146 54.766 0.380 18805 4919 1 16 . 1 1 33 33 TYR CB C 33 38.868 38.868 38.279 0.589 18805 4920 1 16 . 1 1 33 33 TYR H H 33 8.109 8.109 7.527 0.582 18805 4921 1 16 . 1 1 34 34 PRO HA H 34 4.273 4.273 4.350 -0.077 18805 4922 1 16 . 1 1 34 34 PRO C C 34 177.097 177.097 176.836 0.261 18805 4923 1 16 . 1 1 34 34 PRO CA C 34 62.413 62.413 62.535 -0.122 18805 4924 1 16 . 1 1 34 34 PRO CB C 34 30.790 30.790 32.242 -1.452 18805 4925 1 16 . 1 1 35 35 ASP N N 35 124.197 124.197 121.663 2.534 18805 4926 1 16 . 1 1 35 35 ASP HA H 35 4.447 4.447 4.558 -0.111 18805 4927 1 16 . 1 1 35 35 ASP C C 35 175.603 175.603 177.843 -2.240 18805 4928 1 16 . 1 1 35 35 ASP CA C 35 52.685 52.685 54.327 -1.642 18805 4929 1 16 . 1 1 35 35 ASP CB C 35 40.952 40.952 41.562 -0.610 18805 4930 1 16 . 1 1 35 35 ASP H H 35 8.547 8.547 8.189 0.358 18805 4931 1 16 . 1 1 36 36 VAL N N 36 118.006 118.006 122.380 -4.374 18805 4932 1 16 . 1 1 36 36 VAL HA H 36 3.473 3.473 3.767 -0.294 18805 4933 1 16 . 1 1 36 36 VAL C C 36 176.268 176.268 177.096 -0.828 18805 4934 1 16 . 1 1 36 36 VAL CA C 36 66.404 66.404 66.176 0.228 18805 4935 1 16 . 1 1 36 36 VAL CB C 36 31.419 31.419 32.010 -0.591 18805 4936 1 16 . 1 1 36 36 VAL H H 36 8.281 8.281 8.477 -0.196 18805 4937 1 16 . 1 1 37 37 TYR N N 37 121.225 121.225 120.584 0.641 18805 4938 1 16 . 1 1 37 37 TYR HA H 37 4.305 4.305 4.274 0.031 18805 4939 1 16 . 1 1 37 37 TYR C C 37 178.136 178.136 177.240 0.896 18805 4940 1 16 . 1 1 37 37 TYR CA C 37 60.808 60.808 61.255 -0.447 18805 4941 1 16 . 1 1 37 37 TYR CB C 37 37.392 37.392 37.254 0.138 18805 4942 1 16 . 1 1 37 37 TYR H H 37 7.423 7.423 8.382 -0.959 18805 4943 1 16 . 1 1 38 38 ALA N N 38 122.550 122.550 121.667 0.883 18805 4944 1 16 . 1 1 38 38 ALA HA H 38 4.071 4.071 4.020 0.051 18805 4945 1 16 . 1 1 38 38 ALA C C 38 182.258 182.258 179.742 2.516 18805 4946 1 16 . 1 1 38 38 ALA CA C 38 54.885 54.885 55.027 -0.142 18805 4947 1 16 . 1 1 38 38 ALA CB C 38 18.336 18.336 18.120 0.216 18805 4948 1 16 . 1 1 38 38 ALA H H 38 8.376 8.376 8.280 0.096 18805 4949 1 16 . 1 1 39 39 ARG N N 39 117.400 117.400 117.836 -0.436 18805 4950 1 16 . 1 1 39 39 ARG HA H 39 3.834 3.834 4.027 -0.193 18805 4951 1 16 . 1 1 39 39 ARG C C 39 178.142 178.142 179.099 -0.957 18805 4952 1 16 . 1 1 39 39 ARG CA C 39 60.991 60.991 59.138 1.853 18805 4953 1 16 . 1 1 39 39 ARG CB C 39 31.335 31.335 30.044 1.292 18805 4954 1 16 . 1 1 39 39 ARG H H 39 8.699 8.699 7.925 0.774 18805 4955 1 16 . 1 1 40 40 GLU N N 40 121.231 121.231 120.391 0.840 18805 4956 1 16 . 1 1 40 40 GLU HA H 40 3.943 3.943 4.058 -0.115 18805 4957 1 16 . 1 1 40 40 GLU C C 40 179.598 179.598 179.189 0.409 18805 4958 1 16 . 1 1 40 40 GLU CA C 40 59.805 59.805 59.258 0.548 18805 4959 1 16 . 1 1 40 40 GLU CB C 40 29.508 29.508 28.957 0.551 18805 4960 1 16 . 1 1 40 40 GLU H H 40 8.672 8.672 8.215 0.457 18805 4961 1 16 . 1 1 41 41 GLN N N 41 118.662 118.662 117.531 1.131 18805 4962 1 16 . 1 1 41 41 GLN HA H 41 3.958 3.958 4.070 -0.112 18805 4963 1 16 . 1 1 41 41 GLN C C 41 178.675 178.675 178.739 -0.064 18805 4964 1 16 . 1 1 41 41 GLN CA C 41 58.594 58.594 57.428 1.166 18805 4965 1 16 . 1 1 41 41 GLN CB C 41 28.396 28.396 28.349 0.047 18805 4966 1 16 . 1 1 41 41 GLN H H 41 8.264 8.264 7.392 0.872 18805 4967 1 16 . 1 1 42 42 LEU N N 42 121.044 121.044 121.366 -0.322 18805 4968 1 16 . 1 1 42 42 LEU HA H 42 4.009 4.009 3.996 0.013 18805 4969 1 16 . 1 1 42 42 LEU C C 42 179.727 179.727 177.797 1.930 18805 4970 1 16 . 1 1 42 42 LEU CA C 42 57.600 57.600 57.456 0.144 18805 4971 1 16 . 1 1 42 42 LEU CB C 42 42.752 42.752 41.371 1.381 18805 4972 1 16 . 1 1 42 42 LEU H H 42 7.909 7.909 8.060 -0.151 18805 4973 1 16 . 1 1 43 43 ALA N N 43 124.342 124.342 121.850 2.492 18805 4974 1 16 . 1 1 43 43 ALA HA H 43 3.697 3.697 4.072 -0.375 18805 4975 1 16 . 1 1 43 43 ALA C C 43 179.056 179.056 179.725 -0.669 18805 4976 1 16 . 1 1 43 43 ALA CA C 43 55.561 55.561 54.711 0.850 18805 4977 1 16 . 1 1 43 43 ALA CB C 43 17.186 17.186 18.584 -1.398 18805 4978 1 16 . 1 1 43 43 ALA H H 43 8.647 8.647 7.840 0.807 18805 4979 1 16 . 1 1 44 44 MET N N 44 115.878 115.878 116.550 -0.672 18805 4980 1 16 . 1 1 44 44 MET HA H 44 4.262 4.262 4.030 0.232 18805 4981 1 16 . 1 1 44 44 MET C C 44 179.154 179.154 178.798 0.356 18805 4982 1 16 . 1 1 44 44 MET CA C 44 58.569 58.569 59.033 -0.464 18805 4983 1 16 . 1 1 44 44 MET CB C 44 32.138 32.138 32.596 -0.458 18805 4984 1 16 . 1 1 44 44 MET H H 44 7.926 7.926 7.526 0.400 18805 4985 1 16 . 1 1 45 45 ARG N N 45 116.503 116.503 117.531 -1.028 18805 4986 1 16 . 1 1 45 45 ARG HA H 45 4.402 4.402 4.156 0.246 18805 4987 1 16 . 1 1 45 45 ARG C C 45 177.591 177.591 178.697 -1.106 18805 4988 1 16 . 1 1 45 45 ARG CA C 45 58.315 58.315 58.764 -0.449 18805 4989 1 16 . 1 1 45 45 ARG CB C 45 30.909 30.909 30.407 0.502 18805 4990 1 16 . 1 1 45 45 ARG H H 45 7.903 7.903 7.921 -0.018 18805 4991 1 16 . 1 1 46 46 THR N N 46 105.711 105.711 108.713 -3.002 18805 4992 1 16 . 1 1 46 46 THR HA H 46 4.501 4.501 4.350 0.151 18805 4993 1 16 . 1 1 46 46 THR C C 46 174.417 174.417 174.781 -0.364 18805 4994 1 16 . 1 1 46 46 THR CA C 46 61.808 61.808 63.401 -1.593 18805 4995 1 16 . 1 1 46 46 THR CB C 46 70.714 70.714 69.435 1.279 18805 4996 1 16 . 1 1 46 46 THR H H 46 7.662 7.662 8.047 -0.385 18805 4997 1 16 . 1 1 47 47 ASP N N 47 120.391 120.391 118.712 1.679 18805 4998 1 16 . 1 1 47 47 ASP HA H 47 4.472 4.472 4.393 0.079 18805 4999 1 16 . 1 1 47 47 ASP C C 47 174.537 174.537 175.386 -0.849 18805 5000 1 16 . 1 1 47 47 ASP CA C 47 55.933 55.933 55.417 0.516 18805 5001 1 16 . 1 1 47 47 ASP CB C 47 39.565 39.565 39.995 -0.430 18805 5002 1 16 . 1 1 47 47 ASP H H 47 7.922 7.922 7.769 0.153 18805 5003 1 16 . 1 1 48 48 LEU N N 48 118.406 118.406 118.486 -0.080 18805 5004 1 16 . 1 1 48 48 LEU HA H 48 4.891 4.891 4.619 0.272 18805 5005 1 16 . 1 1 48 48 LEU C C 48 176.180 176.180 176.824 -0.644 18805 5006 1 16 . 1 1 48 48 LEU CA C 48 52.943 52.943 53.967 -1.024 18805 5007 1 16 . 1 1 48 48 LEU CB C 48 46.638 46.638 43.570 3.068 18805 5008 1 16 . 1 1 48 48 LEU H H 48 8.072 8.072 7.558 0.514 18805 5009 1 16 . 1 1 49 49 THR N N 49 106.891 106.891 112.005 -5.114 18805 5010 1 16 . 1 1 49 49 THR HA H 49 4.597 4.597 4.483 0.114 18805 5011 1 16 . 1 1 49 49 THR C C 49 175.667 175.667 175.428 0.239 18805 5012 1 16 . 1 1 49 49 THR CA C 49 59.573 59.573 60.888 -1.315 18805 5013 1 16 . 1 1 49 49 THR CB C 49 71.085 71.085 70.237 0.848 18805 5014 1 16 . 1 1 49 49 THR H H 49 7.071 7.071 8.090 -1.019 18805 5015 1 16 . 1 1 50 50 GLU N N 50 124.013 124.013 122.441 1.572 18805 5016 1 16 . 1 1 50 50 GLU HA H 50 3.721 3.721 3.968 -0.247 18805 5017 1 16 . 1 1 50 50 GLU C C 50 178.112 178.112 178.849 -0.737 18805 5018 1 16 . 1 1 50 50 GLU CA C 50 60.982 60.982 60.255 0.727 18805 5019 1 16 . 1 1 50 50 GLU CB C 50 28.654 28.654 29.449 -0.795 18805 5020 1 16 . 1 1 50 50 GLU H H 50 9.271 9.271 8.987 0.284 18805 5021 1 16 . 1 1 51 51 ALA N N 51 119.708 119.708 120.949 -1.241 18805 5022 1 16 . 1 1 51 51 ALA HA H 51 4.108 4.108 4.211 -0.103 18805 5023 1 16 . 1 1 51 51 ALA C C 51 180.493 180.493 179.987 0.506 18805 5024 1 16 . 1 1 51 51 ALA CA C 51 55.200 55.200 54.777 0.423 18805 5025 1 16 . 1 1 51 51 ALA CB C 51 18.397 18.397 18.231 0.166 18805 5026 1 16 . 1 1 51 51 ALA H H 51 8.377 8.377 8.411 -0.034 18805 5027 1 16 . 1 1 52 52 ARG N N 52 117.740 117.740 119.366 -1.626 18805 5028 1 16 . 1 1 52 52 ARG HA H 52 4.213 4.213 4.260 -0.047 18805 5029 1 16 . 1 1 52 52 ARG C C 52 179.734 179.734 179.041 0.693 18805 5030 1 16 . 1 1 52 52 ARG CA C 52 59.006 59.006 58.635 0.371 18805 5031 1 16 . 1 1 52 52 ARG CB C 52 30.626 30.626 30.061 0.565 18805 5032 1 16 . 1 1 52 52 ARG H H 52 7.756 7.756 7.643 0.113 18805 5033 1 16 . 1 1 53 53 VAL N N 53 120.607 120.607 120.567 0.040 18805 5034 1 16 . 1 1 53 53 VAL HA H 53 3.706 3.706 3.739 -0.033 18805 5035 1 16 . 1 1 53 53 VAL C C 53 177.734 177.734 177.918 -0.184 18805 5036 1 16 . 1 1 53 53 VAL CA C 53 67.350 67.350 67.302 0.048 18805 5037 1 16 . 1 1 53 53 VAL CB C 53 31.900 31.900 31.589 0.311 18805 5038 1 16 . 1 1 53 53 VAL H H 53 8.206 8.206 8.102 0.104 18805 5039 1 16 . 1 1 54 54 GLN N N 54 119.441 119.441 119.525 -0.084 18805 5040 1 16 . 1 1 54 54 GLN HA H 54 4.401 4.401 4.154 0.247 18805 5041 1 16 . 1 1 54 54 GLN C C 54 179.055 179.055 178.876 0.179 18805 5042 1 16 . 1 1 54 54 GLN CA C 54 60.036 60.036 59.391 0.645 18805 5043 1 16 . 1 1 54 54 GLN CB C 54 28.509 28.509 28.710 -0.201 18805 5044 1 16 . 1 1 54 54 GLN H H 54 8.747 8.747 8.089 0.658 18805 5045 1 16 . 1 1 55 55 VAL N N 55 119.951 119.951 119.000 0.951 18805 5046 1 16 . 1 1 55 55 VAL HA H 55 3.783 3.783 3.877 -0.094 18805 5047 1 16 . 1 1 55 55 VAL C C 55 177.751 177.751 178.137 -0.386 18805 5048 1 16 . 1 1 55 55 VAL CA C 55 66.575 66.575 66.387 0.188 18805 5049 1 16 . 1 1 55 55 VAL CB C 55 32.017 32.017 30.786 1.231 18805 5050 1 16 . 1 1 55 55 VAL H H 55 7.973 7.973 8.205 -0.232 18805 5051 1 16 . 1 1 56 56 TRP N N 56 121.386 121.386 122.671 -1.285 18805 5052 1 16 . 1 1 56 56 TRP HA H 56 4.075 4.075 4.047 0.028 18805 5053 1 16 . 1 1 56 56 TRP C C 56 179.849 179.849 178.329 1.520 18805 5054 1 16 . 1 1 56 56 TRP CA C 56 63.249 63.249 61.879 1.370 18805 5055 1 16 . 1 1 56 56 TRP CB C 56 28.266 28.266 29.160 -0.894 18805 5056 1 16 . 1 1 56 56 TRP H H 56 8.351 8.351 7.754 0.597 18805 5057 1 16 . 1 1 57 57 PHE N N 57 118.444 118.444 117.019 1.425 18805 5058 1 16 . 1 1 57 57 PHE HA H 57 3.629 3.629 3.928 -0.299 18805 5059 1 16 . 1 1 57 57 PHE C C 57 178.058 178.058 178.300 -0.242 18805 5060 1 16 . 1 1 57 57 PHE CA C 57 63.831 63.831 62.078 1.753 18805 5061 1 16 . 1 1 57 57 PHE CB C 57 39.161 39.161 38.857 0.304 18805 5062 1 16 . 1 1 57 57 PHE H H 57 8.924 8.924 8.323 0.601 18805 5063 1 16 . 1 1 58 58 GLN N N 58 119.552 119.552 118.364 1.188 18805 5064 1 16 . 1 1 58 58 GLN HA H 58 3.958 3.958 4.101 -0.143 18805 5065 1 16 . 1 1 58 58 GLN C C 58 179.475 179.475 178.670 0.805 18805 5066 1 16 . 1 1 58 58 GLN CA C 58 59.730 59.730 58.593 1.137 18805 5067 1 16 . 1 1 58 58 GLN CB C 58 28.108 28.108 28.195 -0.087 18805 5068 1 16 . 1 1 58 58 GLN H H 58 8.322 8.322 8.065 0.257 18805 5069 1 16 . 1 1 59 59 ASN N N 59 119.095 119.095 119.287 -0.192 18805 5070 1 16 . 1 1 59 59 ASN HA H 59 4.344 4.344 4.386 -0.042 18805 5071 1 16 . 1 1 59 59 ASN C C 59 177.212 177.212 177.769 -0.557 18805 5072 1 16 . 1 1 59 59 ASN CA C 59 55.536 55.536 55.893 -0.357 18805 5073 1 16 . 1 1 59 59 ASN CB C 59 37.920 37.920 37.966 -0.046 18805 5074 1 16 . 1 1 59 59 ASN H H 59 8.158 8.158 8.318 -0.160 18805 5075 1 16 . 1 1 60 60 ARG N N 60 124.480 124.480 120.022 4.458 18805 5076 1 16 . 1 1 60 60 ARG HA H 60 3.383 3.383 3.771 -0.388 18805 5077 1 16 . 1 1 60 60 ARG C C 60 179.622 179.622 178.632 0.990 18805 5078 1 16 . 1 1 60 60 ARG CA C 60 56.532 56.532 57.707 -1.175 18805 5079 1 16 . 1 1 60 60 ARG CB C 60 27.904 27.904 29.208 -1.304 18805 5080 1 16 . 1 1 60 60 ARG H H 60 8.494 8.494 7.679 0.815 18805 5081 1 16 . 1 1 61 61 ARG N N 61 118.870 118.870 119.247 -0.377 18805 5082 1 16 . 1 1 61 61 ARG HA H 61 3.946 3.946 4.453 -0.507 18805 5083 1 16 . 1 1 61 61 ARG C C 61 178.392 178.392 178.330 0.062 18805 5084 1 16 . 1 1 61 61 ARG CA C 61 60.599 60.599 58.320 2.279 18805 5085 1 16 . 1 1 61 61 ARG CB C 61 31.546 31.546 30.165 1.381 18805 5086 1 16 . 1 1 61 61 ARG H H 61 8.310 8.310 7.933 0.377 18805 5087 1 16 . 1 1 62 62 ALA N N 62 121.373 121.373 123.526 -2.153 18805 5088 1 16 . 1 1 62 62 ALA HA H 62 4.163 4.163 4.156 0.007 18805 5089 1 16 . 1 1 62 62 ALA C C 62 179.899 179.899 178.967 0.932 18805 5090 1 16 . 1 1 62 62 ALA CA C 62 55.109 55.109 55.160 -0.051 18805 5091 1 16 . 1 1 62 62 ALA CB C 62 17.754 17.754 18.203 -0.449 18805 5092 1 16 . 1 1 62 62 ALA H H 62 7.382 7.382 7.881 -0.499 18805 5093 1 16 . 1 1 63 63 LYS N N 63 118.540 118.540 116.432 2.108 18805 5094 1 16 . 1 1 63 63 LYS HA H 63 3.986 3.986 4.060 -0.074 18805 5095 1 16 . 1 1 63 63 LYS C C 63 178.259 178.259 178.635 -0.376 18805 5096 1 16 . 1 1 63 63 LYS CA C 63 58.727 58.727 58.575 0.152 18805 5097 1 16 . 1 1 63 63 LYS CB C 63 32.634 32.634 32.415 0.219 18805 5098 1 16 . 1 1 63 63 LYS H H 63 7.573 7.573 7.596 -0.023 18805 5099 1 16 . 1 1 64 64 TRP N N 64 121.094 121.094 121.117 -0.023 18805 5100 1 16 . 1 1 64 64 TRP HA H 64 4.436 4.436 4.366 0.070 18805 5101 1 16 . 1 1 64 64 TRP C C 64 177.662 177.662 177.522 0.140 18805 5102 1 16 . 1 1 64 64 TRP CA C 64 60.130 60.130 60.040 0.090 18805 5103 1 16 . 1 1 64 64 TRP CB C 64 29.138 29.138 29.583 -0.445 18805 5104 1 16 . 1 1 64 64 TRP H H 64 8.032 8.032 7.625 0.407 18805 5105 1 16 . 1 1 65 65 ARG N N 65 118.674 118.674 117.318 1.356 18805 5106 1 16 . 1 1 65 65 ARG HA H 65 3.783 3.783 3.948 -0.165 18805 5107 1 16 . 1 1 65 65 ARG C C 65 177.342 177.342 176.612 0.730 18805 5108 1 16 . 1 1 65 65 ARG CA C 65 58.290 58.290 55.606 2.684 18805 5109 1 16 . 1 1 65 65 ARG CB C 65 30.580 30.580 30.272 0.308 18805 5110 1 16 . 1 1 65 65 ARG H H 65 8.232 8.232 8.088 0.144 18805 5111 1 16 . 1 1 66 66 LYS N N 66 118.567 118.567 118.237 0.330 18805 5112 1 16 . 1 1 66 66 LYS HA H 66 4.122 4.122 3.813 0.309 18805 5113 1 16 . 1 1 66 66 LYS C C 66 177.060 177.060 177.196 -0.136 18805 5114 1 16 . 1 1 66 66 LYS CA C 66 57.389 57.389 59.114 -1.724 18805 5115 1 16 . 1 1 66 66 LYS CB C 66 32.659 32.659 30.545 2.114 18805 5116 1 16 . 1 1 66 66 LYS H H 66 7.591 7.591 7.732 -0.141 18805 5117 1 16 . 1 1 67 67 ARG N N 67 119.185 119.185 121.408 -2.223 18805 5118 1 16 . 1 1 67 67 ARG HA H 67 4.183 4.183 4.157 0.026 18805 5119 1 16 . 1 1 67 67 ARG C C 67 176.830 176.830 174.841 1.989 18805 5120 1 16 . 1 1 67 67 ARG CA C 67 56.879 56.879 54.956 1.923 18805 5121 1 16 . 1 1 67 67 ARG CB C 67 30.226 30.226 29.264 0.963 18805 5122 1 16 . 1 1 67 67 ARG H H 67 7.722 7.722 7.819 -0.097 18805 5123 1 16 . 1 1 68 68 GLU N N 68 120.614 120.614 121.580 -0.966 18805 5124 1 16 . 1 1 68 68 GLU HA H 68 4.087 4.087 3.980 0.107 18805 5125 1 16 . 1 1 68 68 GLU C C 68 176.803 176.803 175.612 1.191 18805 5126 1 16 . 1 1 68 68 GLU CA C 68 57.076 57.076 56.482 0.594 18805 5127 1 16 . 1 1 68 68 GLU CB C 68 30.099 30.099 28.252 1.847 18805 5128 1 16 . 1 1 68 68 GLU H H 68 8.157 8.157 7.629 0.528 18805 5129 1 16 . 1 1 69 69 ARG N N 69 120.012 120.012 123.337 -3.325 18805 5130 1 16 . 1 1 69 69 ARG C C 69 176.270 176.270 176.900 -0.630 18805 5131 1 16 . 1 1 69 69 ARG CA C 69 66.543 66.543 56.923 9.620 18805 5132 1 16 . 1 1 69 69 ARG CB C 69 32.203 32.203 30.725 1.478 18805 5133 1 16 . 1 1 69 69 ARG H H 69 7.974 7.974 7.723 0.251 18805 5134 1 16 . 1 1 70 70 PHE HA H 70 4.577 4.577 4.069 0.508 18805 5135 1 16 . 1 1 70 70 PHE CA C 70 58.021 58.021 59.436 -1.415 18805 5136 1 16 . 1 1 70 70 PHE CB C 70 39.295 39.295 37.094 2.200 18805 5137 1 17 . 1 1 16 16 PHE HA H 16 5.000 5.000 5.316 -0.316 18805 5138 1 17 . 1 1 16 16 PHE C C 16 176.744 176.744 176.496 0.248 18805 5139 1 17 . 1 1 16 16 PHE CA C 16 57.425 57.425 55.595 1.830 18805 5140 1 17 . 1 1 16 16 PHE CB C 16 41.475 41.475 41.058 0.417 18805 5141 1 17 . 1 1 16 16 PHE H H 16 9.114 9.114 8.047 1.067 18805 5142 1 17 . 1 1 17 17 THR N N 17 113.394 113.394 116.132 -2.738 18805 5143 1 17 . 1 1 17 17 THR HA H 17 4.552 4.552 4.545 0.007 18805 5144 1 17 . 1 1 17 17 THR C C 17 175.352 175.352 175.763 -0.411 18805 5145 1 17 . 1 1 17 17 THR CA C 17 60.392 60.392 61.139 -0.747 18805 5146 1 17 . 1 1 17 17 THR CB C 17 71.013 71.013 70.939 0.074 18805 5147 1 17 . 1 1 17 17 THR H H 17 9.106 9.106 8.864 0.242 18805 5148 1 17 . 1 1 18 18 SER HA H 18 4.146 4.146 4.229 -0.083 18805 5149 1 17 . 1 1 18 18 SER C C 18 176.860 176.860 176.663 0.197 18805 5150 1 17 . 1 1 18 18 SER CA C 18 62.173 62.173 62.333 -0.160 18805 5151 1 17 . 1 1 18 18 SER CB C 18 62.172 62.172 62.793 -0.621 18805 5152 1 17 . 1 1 19 19 TYR N N 19 121.561 121.561 123.399 -1.838 18805 5153 1 17 . 1 1 19 19 TYR HA H 19 4.340 4.340 4.530 -0.190 18805 5154 1 17 . 1 1 19 19 TYR C C 19 176.860 176.860 177.803 -0.943 18805 5155 1 17 . 1 1 19 19 TYR CA C 19 60.736 60.736 61.049 -0.313 18805 5156 1 17 . 1 1 19 19 TYR CB C 19 38.557 38.557 38.254 0.303 18805 5157 1 17 . 1 1 19 19 TYR H H 19 8.145 8.145 8.309 -0.164 18805 5158 1 17 . 1 1 20 20 GLN N N 20 116.967 116.967 118.405 -1.438 18805 5159 1 17 . 1 1 20 20 GLN HA H 20 3.359 3.359 3.709 -0.350 18805 5160 1 17 . 1 1 20 20 GLN C C 20 177.344 177.344 178.043 -0.699 18805 5161 1 17 . 1 1 20 20 GLN CA C 20 59.633 59.633 59.250 0.383 18805 5162 1 17 . 1 1 20 20 GLN CB C 20 27.866 27.866 28.766 -0.900 18805 5163 1 17 . 1 1 20 20 GLN H H 20 7.545 7.545 7.769 -0.224 18805 5164 1 17 . 1 1 21 21 LEU N N 21 115.751 115.751 118.569 -2.818 18805 5165 1 17 . 1 1 21 21 LEU HA H 21 3.532 3.532 3.615 -0.083 18805 5166 1 17 . 1 1 21 21 LEU C C 21 178.858 178.858 179.084 -0.226 18805 5167 1 17 . 1 1 21 21 LEU CA C 21 57.774 57.774 57.255 0.518 18805 5168 1 17 . 1 1 21 21 LEU CB C 21 41.660 41.660 41.348 0.312 18805 5169 1 17 . 1 1 21 21 LEU H H 21 8.116 8.116 8.058 0.058 18805 5170 1 17 . 1 1 22 22 GLU N N 22 118.939 118.939 119.938 -0.999 18805 5171 1 17 . 1 1 22 22 GLU HA H 22 3.876 3.876 3.876 -0.000 18805 5172 1 17 . 1 1 22 22 GLU C C 22 179.617 179.617 178.847 0.770 18805 5173 1 17 . 1 1 22 22 GLU CA C 22 59.244 59.244 59.557 -0.313 18805 5174 1 17 . 1 1 22 22 GLU CB C 22 29.454 29.454 29.264 0.190 18805 5175 1 17 . 1 1 22 22 GLU H H 22 8.108 8.108 7.543 0.565 18805 5176 1 17 . 1 1 23 23 GLU N N 23 117.643 117.643 118.948 -1.305 18805 5177 1 17 . 1 1 23 23 GLU HA H 23 3.699 3.699 3.908 -0.209 18805 5178 1 17 . 1 1 23 23 GLU C C 23 179.328 179.328 179.175 0.153 18805 5179 1 17 . 1 1 23 23 GLU CA C 23 58.616 58.616 58.598 0.018 18805 5180 1 17 . 1 1 23 23 GLU CB C 23 29.191 29.191 28.999 0.192 18805 5181 1 17 . 1 1 23 23 GLU H H 23 7.631 7.631 7.455 0.176 18805 5182 1 17 . 1 1 24 24 LEU N N 24 122.218 122.218 119.509 2.709 18805 5183 1 17 . 1 1 24 24 LEU HA H 24 3.490 3.490 3.684 -0.194 18805 5184 1 17 . 1 1 24 24 LEU C C 24 177.731 177.731 178.856 -1.125 18805 5185 1 17 . 1 1 24 24 LEU CA C 24 58.732 58.732 58.123 0.609 18805 5186 1 17 . 1 1 24 24 LEU CB C 24 38.207 38.207 40.481 -2.274 18805 5187 1 17 . 1 1 24 24 LEU H H 24 7.995 7.995 8.144 -0.149 18805 5188 1 17 . 1 1 25 25 GLU N N 25 118.406 118.406 118.524 -0.118 18805 5189 1 17 . 1 1 25 25 GLU HA H 25 4.278 4.278 4.227 0.051 18805 5190 1 17 . 1 1 25 25 GLU C C 25 179.059 179.059 179.227 -0.168 18805 5191 1 17 . 1 1 25 25 GLU CA C 25 58.612 58.612 59.278 -0.666 18805 5192 1 17 . 1 1 25 25 GLU CB C 25 28.957 28.957 29.305 -0.348 18805 5193 1 17 . 1 1 25 25 GLU H H 25 7.833 7.833 7.408 0.425 18805 5194 1 17 . 1 1 26 26 LYS N N 26 118.033 118.033 120.386 -2.353 18805 5195 1 17 . 1 1 26 26 LYS HA H 26 3.978 3.978 4.064 -0.086 18805 5196 1 17 . 1 1 26 26 LYS C C 26 180.388 180.388 179.273 1.115 18805 5197 1 17 . 1 1 26 26 LYS CA C 26 59.919 59.919 59.665 0.254 18805 5198 1 17 . 1 1 26 26 LYS CB C 26 32.821 32.821 32.506 0.315 18805 5199 1 17 . 1 1 26 26 LYS H H 26 7.795 7.795 8.018 -0.223 18805 5200 1 17 . 1 1 27 27 VAL N N 27 118.207 118.207 119.240 -1.033 18805 5201 1 17 . 1 1 27 27 VAL HA H 27 3.853 3.853 3.694 0.159 18805 5202 1 17 . 1 1 27 27 VAL C C 27 177.057 177.057 177.937 -0.880 18805 5203 1 17 . 1 1 27 27 VAL CA C 27 66.944 66.944 66.086 0.858 18805 5204 1 17 . 1 1 27 27 VAL CB C 27 31.034 31.034 31.726 -0.692 18805 5205 1 17 . 1 1 27 27 VAL H H 27 7.316 7.316 7.945 -0.629 18805 5206 1 17 . 1 1 28 28 PHE N N 28 122.791 122.791 120.396 2.395 18805 5207 1 17 . 1 1 28 28 PHE HA H 28 4.744 4.744 4.817 -0.073 18805 5208 1 17 . 1 1 28 28 PHE C C 28 175.721 175.721 176.946 -1.225 18805 5209 1 17 . 1 1 28 28 PHE CA C 28 61.452 61.452 60.447 1.006 18805 5210 1 17 . 1 1 28 28 PHE CB C 28 38.872 38.872 39.466 -0.594 18805 5211 1 17 . 1 1 28 28 PHE H H 28 8.540 8.540 7.890 0.650 18805 5212 1 17 . 1 1 29 29 GLN N N 29 112.048 112.048 117.686 -5.638 18805 5213 1 17 . 1 1 29 29 GLN HA H 29 3.843 3.843 4.032 -0.189 18805 5214 1 17 . 1 1 29 29 GLN C C 29 177.467 177.467 177.754 -0.287 18805 5215 1 17 . 1 1 29 29 GLN CA C 29 57.595 57.595 57.513 0.082 18805 5216 1 17 . 1 1 29 29 GLN CB C 29 28.204 28.204 28.508 -0.304 18805 5217 1 17 . 1 1 29 29 GLN H H 29 8.129 8.129 8.036 0.093 18805 5218 1 17 . 1 1 30 30 LYS N N 30 118.854 118.854 118.673 0.181 18805 5219 1 17 . 1 1 30 30 LYS HA H 30 4.260 4.260 4.102 0.158 18805 5220 1 17 . 1 1 30 30 LYS C C 30 176.920 176.920 177.172 -0.252 18805 5221 1 17 . 1 1 30 30 LYS CA C 30 57.449 57.449 58.096 -0.647 18805 5222 1 17 . 1 1 30 30 LYS CB C 30 33.450 33.450 33.274 0.176 18805 5223 1 17 . 1 1 30 30 LYS H H 30 7.599 7.599 7.898 -0.299 18805 5224 1 17 . 1 1 31 31 THR N N 31 115.210 115.210 111.524 3.686 18805 5225 1 17 . 1 1 31 31 THR HA H 31 4.279 4.279 4.393 -0.114 18805 5226 1 17 . 1 1 31 31 THR C C 31 171.092 171.092 173.912 -2.820 18805 5227 1 17 . 1 1 31 31 THR CA C 31 59.113 59.113 61.413 -2.300 18805 5228 1 17 . 1 1 31 31 THR CB C 31 69.375 69.375 69.425 -0.050 18805 5229 1 17 . 1 1 31 31 THR H H 31 8.840 8.840 7.743 1.097 18805 5230 1 17 . 1 1 32 32 HIS N N 32 123.048 123.048 125.857 -2.809 18805 5231 1 17 . 1 1 32 32 HIS HA H 32 4.343 4.343 3.896 0.448 18805 5232 1 17 . 1 1 32 32 HIS C C 32 174.598 174.598 175.145 -0.547 18805 5233 1 17 . 1 1 32 32 HIS CA C 32 55.323 55.323 57.022 -1.699 18805 5234 1 17 . 1 1 32 32 HIS CB C 32 30.975 30.975 29.439 1.536 18805 5235 1 17 . 1 1 32 32 HIS H H 32 8.342 8.342 8.468 -0.126 18805 5236 1 17 . 1 1 33 33 TYR N N 33 114.650 114.650 118.996 -4.346 18805 5237 1 17 . 1 1 33 33 TYR HA H 33 4.703 4.703 4.768 -0.065 18805 5238 1 17 . 1 1 33 33 TYR C C 33 172.558 172.558 173.601 -1.043 18805 5239 1 17 . 1 1 33 33 TYR CA C 33 55.146 55.146 54.619 0.527 18805 5240 1 17 . 1 1 33 33 TYR CB C 33 38.868 38.868 38.774 0.094 18805 5241 1 17 . 1 1 33 33 TYR H H 33 8.109 8.109 7.584 0.525 18805 5242 1 17 . 1 1 34 34 PRO HA H 34 4.273 4.273 4.308 -0.035 18805 5243 1 17 . 1 1 34 34 PRO C C 34 177.097 177.097 176.479 0.618 18805 5244 1 17 . 1 1 34 34 PRO CA C 34 62.413 62.413 63.091 -0.678 18805 5245 1 17 . 1 1 34 34 PRO CB C 34 30.790 30.790 32.042 -1.252 18805 5246 1 17 . 1 1 35 35 ASP N N 35 124.197 124.197 124.810 -0.613 18805 5247 1 17 . 1 1 35 35 ASP HA H 35 4.447 4.447 4.476 -0.029 18805 5248 1 17 . 1 1 35 35 ASP C C 35 175.603 175.603 177.929 -2.326 18805 5249 1 17 . 1 1 35 35 ASP CA C 35 52.685 52.685 54.854 -2.169 18805 5250 1 17 . 1 1 35 35 ASP CB C 35 40.952 40.952 41.555 -0.603 18805 5251 1 17 . 1 1 35 35 ASP H H 35 8.547 8.547 8.086 0.461 18805 5252 1 17 . 1 1 36 36 VAL N N 36 118.006 118.006 120.660 -2.654 18805 5253 1 17 . 1 1 36 36 VAL HA H 36 3.473 3.473 3.800 -0.327 18805 5254 1 17 . 1 1 36 36 VAL C C 36 176.268 176.268 177.090 -0.822 18805 5255 1 17 . 1 1 36 36 VAL CA C 36 66.404 66.404 65.715 0.689 18805 5256 1 17 . 1 1 36 36 VAL CB C 36 31.419 31.419 32.062 -0.643 18805 5257 1 17 . 1 1 36 36 VAL H H 36 8.281 8.281 8.378 -0.097 18805 5258 1 17 . 1 1 37 37 TYR N N 37 121.225 121.225 120.538 0.687 18805 5259 1 17 . 1 1 37 37 TYR HA H 37 4.305 4.305 4.381 -0.076 18805 5260 1 17 . 1 1 37 37 TYR C C 37 178.136 178.136 176.893 1.243 18805 5261 1 17 . 1 1 37 37 TYR CA C 37 60.808 60.808 60.953 -0.145 18805 5262 1 17 . 1 1 37 37 TYR CB C 37 37.392 37.392 37.560 -0.168 18805 5263 1 17 . 1 1 37 37 TYR H H 37 7.423 7.423 8.150 -0.727 18805 5264 1 17 . 1 1 38 38 ALA N N 38 122.550 122.550 122.609 -0.059 18805 5265 1 17 . 1 1 38 38 ALA HA H 38 4.071 4.071 4.252 -0.181 18805 5266 1 17 . 1 1 38 38 ALA C C 38 182.258 182.258 179.890 2.368 18805 5267 1 17 . 1 1 38 38 ALA CA C 38 54.885 54.885 54.570 0.315 18805 5268 1 17 . 1 1 38 38 ALA CB C 38 18.336 18.336 18.304 0.032 18805 5269 1 17 . 1 1 38 38 ALA H H 38 8.376 8.376 8.371 0.005 18805 5270 1 17 . 1 1 39 39 ARG N N 39 117.400 117.400 117.794 -0.394 18805 5271 1 17 . 1 1 39 39 ARG HA H 39 3.834 3.834 3.979 -0.145 18805 5272 1 17 . 1 1 39 39 ARG C C 39 178.142 178.142 178.866 -0.724 18805 5273 1 17 . 1 1 39 39 ARG CA C 39 60.991 60.991 59.410 1.581 18805 5274 1 17 . 1 1 39 39 ARG CB C 39 31.335 31.335 30.080 1.255 18805 5275 1 17 . 1 1 39 39 ARG H H 39 8.699 8.699 8.126 0.573 18805 5276 1 17 . 1 1 40 40 GLU N N 40 121.231 121.231 119.776 1.455 18805 5277 1 17 . 1 1 40 40 GLU HA H 40 3.943 3.943 4.007 -0.064 18805 5278 1 17 . 1 1 40 40 GLU C C 40 179.598 179.598 178.775 0.823 18805 5279 1 17 . 1 1 40 40 GLU CA C 40 59.805 59.805 58.869 0.936 18805 5280 1 17 . 1 1 40 40 GLU CB C 40 29.508 29.508 29.041 0.467 18805 5281 1 17 . 1 1 40 40 GLU H H 40 8.672 8.672 7.614 1.058 18805 5282 1 17 . 1 1 41 41 GLN N N 41 118.662 118.662 118.688 -0.026 18805 5283 1 17 . 1 1 41 41 GLN HA H 41 3.958 3.958 3.867 0.091 18805 5284 1 17 . 1 1 41 41 GLN C C 41 178.675 178.675 178.440 0.235 18805 5285 1 17 . 1 1 41 41 GLN CA C 41 58.594 58.594 58.846 -0.252 18805 5286 1 17 . 1 1 41 41 GLN CB C 41 28.396 28.396 28.552 -0.156 18805 5287 1 17 . 1 1 41 41 GLN H H 41 8.264 8.264 7.782 0.482 18805 5288 1 17 . 1 1 42 42 LEU N N 42 121.044 121.044 119.901 1.143 18805 5289 1 17 . 1 1 42 42 LEU HA H 42 4.009 4.009 4.056 -0.047 18805 5290 1 17 . 1 1 42 42 LEU C C 42 179.727 179.727 177.879 1.848 18805 5291 1 17 . 1 1 42 42 LEU CA C 42 57.600 57.600 56.957 0.643 18805 5292 1 17 . 1 1 42 42 LEU CB C 42 42.752 42.752 41.439 1.313 18805 5293 1 17 . 1 1 42 42 LEU H H 42 7.909 7.909 7.677 0.232 18805 5294 1 17 . 1 1 43 43 ALA N N 43 124.342 124.342 122.199 2.143 18805 5295 1 17 . 1 1 43 43 ALA HA H 43 3.697 3.697 4.178 -0.481 18805 5296 1 17 . 1 1 43 43 ALA C C 43 179.056 179.056 179.102 -0.046 18805 5297 1 17 . 1 1 43 43 ALA CA C 43 55.561 55.561 54.934 0.627 18805 5298 1 17 . 1 1 43 43 ALA CB C 43 17.186 17.186 18.710 -1.524 18805 5299 1 17 . 1 1 43 43 ALA H H 43 8.647 8.647 7.967 0.680 18805 5300 1 17 . 1 1 44 44 MET N N 44 115.878 115.878 114.444 1.434 18805 5301 1 17 . 1 1 44 44 MET HA H 44 4.262 4.262 4.365 -0.103 18805 5302 1 17 . 1 1 44 44 MET C C 44 179.154 179.154 178.138 1.016 18805 5303 1 17 . 1 1 44 44 MET CA C 44 58.569 58.569 56.687 1.883 18805 5304 1 17 . 1 1 44 44 MET CB C 44 32.138 32.138 32.095 0.043 18805 5305 1 17 . 1 1 44 44 MET H H 44 7.926 7.926 7.515 0.411 18805 5306 1 17 . 1 1 45 45 ARG N N 45 116.503 116.503 120.446 -3.943 18805 5307 1 17 . 1 1 45 45 ARG HA H 45 4.402 4.402 4.226 0.176 18805 5308 1 17 . 1 1 45 45 ARG C C 45 177.591 177.591 178.523 -0.932 18805 5309 1 17 . 1 1 45 45 ARG CA C 45 58.315 58.315 58.442 -0.127 18805 5310 1 17 . 1 1 45 45 ARG CB C 45 30.909 30.909 29.903 1.006 18805 5311 1 17 . 1 1 45 45 ARG H H 45 7.903 7.903 8.015 -0.112 18805 5312 1 17 . 1 1 46 46 THR N N 46 105.711 105.711 108.379 -2.668 18805 5313 1 17 . 1 1 46 46 THR HA H 46 4.501 4.501 4.408 0.093 18805 5314 1 17 . 1 1 46 46 THR C C 46 174.417 174.417 174.780 -0.363 18805 5315 1 17 . 1 1 46 46 THR CA C 46 61.808 61.808 62.470 -0.662 18805 5316 1 17 . 1 1 46 46 THR CB C 46 70.714 70.714 69.813 0.901 18805 5317 1 17 . 1 1 46 46 THR H H 46 7.662 7.662 7.951 -0.289 18805 5318 1 17 . 1 1 47 47 ASP N N 47 120.391 120.391 119.164 1.227 18805 5319 1 17 . 1 1 47 47 ASP HA H 47 4.472 4.472 4.403 0.069 18805 5320 1 17 . 1 1 47 47 ASP C C 47 174.537 174.537 175.199 -0.662 18805 5321 1 17 . 1 1 47 47 ASP CA C 47 55.933 55.933 55.553 0.380 18805 5322 1 17 . 1 1 47 47 ASP CB C 47 39.565 39.565 40.109 -0.544 18805 5323 1 17 . 1 1 47 47 ASP H H 47 7.922 7.922 7.990 -0.068 18805 5324 1 17 . 1 1 48 48 LEU N N 48 118.406 118.406 119.979 -1.573 18805 5325 1 17 . 1 1 48 48 LEU HA H 48 4.891 4.891 4.614 0.277 18805 5326 1 17 . 1 1 48 48 LEU C C 48 176.180 176.180 177.193 -1.013 18805 5327 1 17 . 1 1 48 48 LEU CA C 48 52.943 52.943 54.394 -1.451 18805 5328 1 17 . 1 1 48 48 LEU CB C 48 46.638 46.638 43.173 3.465 18805 5329 1 17 . 1 1 48 48 LEU H H 48 8.072 8.072 7.482 0.589 18805 5330 1 17 . 1 1 49 49 THR N N 49 106.891 106.891 113.534 -6.643 18805 5331 1 17 . 1 1 49 49 THR HA H 49 4.597 4.597 4.219 0.378 18805 5332 1 17 . 1 1 49 49 THR C C 49 175.667 175.667 175.789 -0.122 18805 5333 1 17 . 1 1 49 49 THR CA C 49 59.573 59.573 61.712 -2.139 18805 5334 1 17 . 1 1 49 49 THR CB C 49 71.085 71.085 70.285 0.800 18805 5335 1 17 . 1 1 49 49 THR H H 49 7.071 7.071 8.355 -1.284 18805 5336 1 17 . 1 1 50 50 GLU N N 50 124.013 124.013 122.594 1.419 18805 5337 1 17 . 1 1 50 50 GLU HA H 50 3.721 3.721 3.940 -0.219 18805 5338 1 17 . 1 1 50 50 GLU C C 50 178.112 178.112 178.811 -0.699 18805 5339 1 17 . 1 1 50 50 GLU CA C 50 60.982 60.982 60.117 0.865 18805 5340 1 17 . 1 1 50 50 GLU CB C 50 28.654 28.654 29.403 -0.749 18805 5341 1 17 . 1 1 50 50 GLU H H 50 9.271 9.271 8.999 0.272 18805 5342 1 17 . 1 1 51 51 ALA N N 51 119.708 119.708 120.228 -0.520 18805 5343 1 17 . 1 1 51 51 ALA HA H 51 4.108 4.108 4.289 -0.181 18805 5344 1 17 . 1 1 51 51 ALA C C 51 180.493 180.493 179.959 0.534 18805 5345 1 17 . 1 1 51 51 ALA CA C 51 55.200 55.200 54.484 0.716 18805 5346 1 17 . 1 1 51 51 ALA CB C 51 18.397 18.397 18.444 -0.047 18805 5347 1 17 . 1 1 51 51 ALA H H 51 8.377 8.377 8.350 0.027 18805 5348 1 17 . 1 1 52 52 ARG N N 52 117.740 117.740 119.572 -1.832 18805 5349 1 17 . 1 1 52 52 ARG HA H 52 4.213 4.213 4.334 -0.121 18805 5350 1 17 . 1 1 52 52 ARG C C 52 179.734 179.734 178.751 0.983 18805 5351 1 17 . 1 1 52 52 ARG CA C 52 59.006 59.006 58.229 0.777 18805 5352 1 17 . 1 1 52 52 ARG CB C 52 30.626 30.626 30.109 0.517 18805 5353 1 17 . 1 1 52 52 ARG H H 52 7.756 7.756 7.644 0.112 18805 5354 1 17 . 1 1 53 53 VAL N N 53 120.607 120.607 120.331 0.276 18805 5355 1 17 . 1 1 53 53 VAL HA H 53 3.706 3.706 3.746 -0.040 18805 5356 1 17 . 1 1 53 53 VAL C C 53 177.734 177.734 177.917 -0.183 18805 5357 1 17 . 1 1 53 53 VAL CA C 53 67.350 67.350 66.629 0.721 18805 5358 1 17 . 1 1 53 53 VAL CB C 53 31.900 31.900 31.159 0.741 18805 5359 1 17 . 1 1 53 53 VAL H H 53 8.206 8.206 8.427 -0.221 18805 5360 1 17 . 1 1 54 54 GLN N N 54 119.441 119.441 119.712 -0.271 18805 5361 1 17 . 1 1 54 54 GLN HA H 54 4.401 4.401 4.044 0.357 18805 5362 1 17 . 1 1 54 54 GLN C C 54 179.055 179.055 178.422 0.633 18805 5363 1 17 . 1 1 54 54 GLN CA C 54 60.036 60.036 59.434 0.602 18805 5364 1 17 . 1 1 54 54 GLN CB C 54 28.509 28.509 28.676 -0.167 18805 5365 1 17 . 1 1 54 54 GLN H H 54 8.747 8.747 7.916 0.831 18805 5366 1 17 . 1 1 55 55 VAL N N 55 119.951 119.951 119.239 0.712 18805 5367 1 17 . 1 1 55 55 VAL HA H 55 3.783 3.783 3.735 0.048 18805 5368 1 17 . 1 1 55 55 VAL C C 55 177.751 177.751 177.839 -0.088 18805 5369 1 17 . 1 1 55 55 VAL CA C 55 66.575 66.575 66.821 -0.246 18805 5370 1 17 . 1 1 55 55 VAL CB C 55 32.017 32.017 31.430 0.587 18805 5371 1 17 . 1 1 55 55 VAL H H 55 7.973 7.973 7.664 0.309 18805 5372 1 17 . 1 1 56 56 TRP N N 56 121.386 121.386 121.588 -0.202 18805 5373 1 17 . 1 1 56 56 TRP HA H 56 4.075 4.075 4.176 -0.101 18805 5374 1 17 . 1 1 56 56 TRP C C 56 179.849 179.849 178.232 1.617 18805 5375 1 17 . 1 1 56 56 TRP CA C 56 63.249 63.249 61.600 1.649 18805 5376 1 17 . 1 1 56 56 TRP CB C 56 28.266 28.266 29.448 -1.182 18805 5377 1 17 . 1 1 56 56 TRP H H 56 8.351 8.351 7.667 0.684 18805 5378 1 17 . 1 1 57 57 PHE N N 57 118.444 118.444 116.797 1.647 18805 5379 1 17 . 1 1 57 57 PHE HA H 57 3.629 3.629 3.843 -0.214 18805 5380 1 17 . 1 1 57 57 PHE C C 57 178.058 178.058 178.246 -0.188 18805 5381 1 17 . 1 1 57 57 PHE CA C 57 63.831 63.831 62.005 1.826 18805 5382 1 17 . 1 1 57 57 PHE CB C 57 39.161 39.161 38.674 0.487 18805 5383 1 17 . 1 1 57 57 PHE H H 57 8.924 8.924 8.435 0.488 18805 5384 1 17 . 1 1 58 58 GLN N N 58 119.552 119.552 118.841 0.711 18805 5385 1 17 . 1 1 58 58 GLN HA H 58 3.958 3.958 4.092 -0.134 18805 5386 1 17 . 1 1 58 58 GLN C C 58 179.475 179.475 178.767 0.708 18805 5387 1 17 . 1 1 58 58 GLN CA C 58 59.730 59.730 58.812 0.918 18805 5388 1 17 . 1 1 58 58 GLN CB C 58 28.108 28.108 28.170 -0.062 18805 5389 1 17 . 1 1 58 58 GLN H H 58 8.322 8.322 8.341 -0.019 18805 5390 1 17 . 1 1 59 59 ASN N N 59 119.095 119.095 117.996 1.099 18805 5391 1 17 . 1 1 59 59 ASN HA H 59 4.344 4.344 4.500 -0.156 18805 5392 1 17 . 1 1 59 59 ASN C C 59 177.212 177.212 177.626 -0.414 18805 5393 1 17 . 1 1 59 59 ASN CA C 59 55.536 55.536 55.593 -0.057 18805 5394 1 17 . 1 1 59 59 ASN CB C 59 37.920 37.920 38.508 -0.588 18805 5395 1 17 . 1 1 59 59 ASN H H 59 8.158 8.158 7.840 0.318 18805 5396 1 17 . 1 1 60 60 ARG N N 60 124.480 124.480 121.651 2.829 18805 5397 1 17 . 1 1 60 60 ARG HA H 60 3.383 3.383 3.752 -0.369 18805 5398 1 17 . 1 1 60 60 ARG C C 60 179.622 179.622 177.949 1.673 18805 5399 1 17 . 1 1 60 60 ARG CA C 60 56.532 56.532 57.518 -0.986 18805 5400 1 17 . 1 1 60 60 ARG CB C 60 27.904 27.904 29.018 -1.114 18805 5401 1 17 . 1 1 60 60 ARG H H 60 8.494 8.494 7.801 0.693 18805 5402 1 17 . 1 1 61 61 ARG N N 61 118.870 118.870 119.301 -0.431 18805 5403 1 17 . 1 1 61 61 ARG HA H 61 3.946 3.946 4.123 -0.177 18805 5404 1 17 . 1 1 61 61 ARG C C 61 178.392 178.392 178.700 -0.308 18805 5405 1 17 . 1 1 61 61 ARG CA C 61 60.599 60.599 59.372 1.227 18805 5406 1 17 . 1 1 61 61 ARG CB C 61 31.546 31.546 30.013 1.533 18805 5407 1 17 . 1 1 61 61 ARG H H 61 8.310 8.310 7.883 0.427 18805 5408 1 17 . 1 1 62 62 ALA N N 62 121.373 121.373 122.018 -0.645 18805 5409 1 17 . 1 1 62 62 ALA HA H 62 4.163 4.163 4.142 0.021 18805 5410 1 17 . 1 1 62 62 ALA C C 62 179.899 179.899 178.936 0.963 18805 5411 1 17 . 1 1 62 62 ALA CA C 62 55.109 55.109 55.018 0.091 18805 5412 1 17 . 1 1 62 62 ALA CB C 62 17.754 17.754 18.166 -0.412 18805 5413 1 17 . 1 1 62 62 ALA H H 62 7.382 7.382 7.620 -0.238 18805 5414 1 17 . 1 1 63 63 LYS N N 63 118.540 118.540 118.803 -0.263 18805 5415 1 17 . 1 1 63 63 LYS HA H 63 3.986 3.986 3.986 0.000 18805 5416 1 17 . 1 1 63 63 LYS C C 63 178.259 178.259 179.261 -1.002 18805 5417 1 17 . 1 1 63 63 LYS CA C 63 58.727 58.727 58.863 -0.136 18805 5418 1 17 . 1 1 63 63 LYS CB C 63 32.634 32.634 32.268 0.366 18805 5419 1 17 . 1 1 63 63 LYS H H 63 7.573 7.573 7.667 -0.094 18805 5420 1 17 . 1 1 64 64 TRP N N 64 121.094 121.094 120.061 1.033 18805 5421 1 17 . 1 1 64 64 TRP HA H 64 4.436 4.436 4.504 -0.068 18805 5422 1 17 . 1 1 64 64 TRP C C 64 177.662 177.662 177.236 0.426 18805 5423 1 17 . 1 1 64 64 TRP CA C 64 60.130 60.130 59.675 0.455 18805 5424 1 17 . 1 1 64 64 TRP CB C 64 29.138 29.138 30.075 -0.937 18805 5425 1 17 . 1 1 64 64 TRP H H 64 8.032 8.032 8.075 -0.043 18805 5426 1 17 . 1 1 65 65 ARG N N 65 118.674 118.674 119.272 -0.598 18805 5427 1 17 . 1 1 65 65 ARG HA H 65 3.783 3.783 4.031 -0.248 18805 5428 1 17 . 1 1 65 65 ARG C C 65 177.342 177.342 175.772 1.570 18805 5429 1 17 . 1 1 65 65 ARG CA C 65 58.290 58.290 57.476 0.814 18805 5430 1 17 . 1 1 65 65 ARG CB C 65 30.580 30.580 31.367 -0.787 18805 5431 1 17 . 1 1 65 65 ARG H H 65 8.232 8.232 7.509 0.723 18805 5432 1 17 . 1 1 66 66 LYS N N 66 118.567 118.567 117.803 0.764 18805 5433 1 17 . 1 1 66 66 LYS HA H 66 4.122 4.122 4.406 -0.284 18805 5434 1 17 . 1 1 66 66 LYS C C 66 177.060 177.060 174.836 2.224 18805 5435 1 17 . 1 1 66 66 LYS CA C 66 57.389 57.389 55.107 2.282 18805 5436 1 17 . 1 1 66 66 LYS CB C 66 32.659 32.659 34.424 -1.765 18805 5437 1 17 . 1 1 66 66 LYS H H 66 7.591 7.591 8.081 -0.490 18805 5438 1 17 . 1 1 67 67 ARG N N 67 119.185 119.185 125.258 -6.073 18805 5439 1 17 . 1 1 67 67 ARG HA H 67 4.183 4.183 4.156 0.027 18805 5440 1 17 . 1 1 67 67 ARG C C 67 176.830 176.830 176.082 0.748 18805 5441 1 17 . 1 1 67 67 ARG CA C 67 56.879 56.879 56.558 0.321 18805 5442 1 17 . 1 1 67 67 ARG CB C 67 30.226 30.226 29.366 0.860 18805 5443 1 17 . 1 1 67 67 ARG H H 67 7.722 7.722 8.469 -0.747 18805 5444 1 17 . 1 1 68 68 GLU N N 68 120.614 120.614 123.947 -3.333 18805 5445 1 17 . 1 1 68 68 GLU HA H 68 4.087 4.087 4.149 -0.062 18805 5446 1 17 . 1 1 68 68 GLU C C 68 176.803 176.803 176.691 0.112 18805 5447 1 17 . 1 1 68 68 GLU CA C 68 57.076 57.076 56.888 0.188 18805 5448 1 17 . 1 1 68 68 GLU CB C 68 30.099 30.099 30.594 -0.495 18805 5449 1 17 . 1 1 68 68 GLU H H 68 8.157 8.157 8.434 -0.277 18805 5450 1 17 . 1 1 69 69 ARG N N 69 120.012 120.012 127.351 -7.339 18805 5451 1 17 . 1 1 69 69 ARG C C 69 176.270 176.270 174.510 1.760 18805 5452 1 17 . 1 1 69 69 ARG CA C 69 66.543 66.543 55.319 11.224 18805 5453 1 17 . 1 1 69 69 ARG CB C 69 32.203 32.203 30.695 1.508 18805 5454 1 17 . 1 1 69 69 ARG H H 69 7.974 7.974 8.545 -0.571 18805 5455 1 17 . 1 1 70 70 PHE HA H 70 4.577 4.577 4.886 -0.309 18805 5456 1 17 . 1 1 70 70 PHE CA C 70 58.021 58.021 56.947 1.074 18805 5457 1 17 . 1 1 70 70 PHE CB C 70 39.295 39.295 40.393 -1.098 18805 5458 1 18 . 1 1 16 16 PHE HA H 16 5.000 5.000 5.217 -0.217 18805 5459 1 18 . 1 1 16 16 PHE C C 16 176.744 176.744 176.662 0.082 18805 5460 1 18 . 1 1 16 16 PHE CA C 16 57.425 57.425 56.055 1.370 18805 5461 1 18 . 1 1 16 16 PHE CB C 16 41.475 41.475 41.504 -0.029 18805 5462 1 18 . 1 1 16 16 PHE H H 16 9.114 9.114 7.828 1.286 18805 5463 1 18 . 1 1 17 17 THR N N 17 113.394 113.394 115.955 -2.561 18805 5464 1 18 . 1 1 17 17 THR HA H 17 4.552 4.552 4.488 0.064 18805 5465 1 18 . 1 1 17 17 THR C C 17 175.352 175.352 175.658 -0.306 18805 5466 1 18 . 1 1 17 17 THR CA C 17 60.392 60.392 61.117 -0.725 18805 5467 1 18 . 1 1 17 17 THR CB C 17 71.013 71.013 71.011 0.002 18805 5468 1 18 . 1 1 17 17 THR H H 17 9.106 9.106 9.009 0.097 18805 5469 1 18 . 1 1 18 18 SER HA H 18 4.146 4.146 4.212 -0.066 18805 5470 1 18 . 1 1 18 18 SER C C 18 176.860 176.860 176.494 0.366 18805 5471 1 18 . 1 1 18 18 SER CA C 18 62.173 62.173 62.125 0.048 18805 5472 1 18 . 1 1 18 18 SER CB C 18 62.172 62.172 62.712 -0.540 18805 5473 1 18 . 1 1 19 19 TYR N N 19 121.561 121.561 122.163 -0.602 18805 5474 1 18 . 1 1 19 19 TYR HA H 19 4.340 4.340 4.177 0.163 18805 5475 1 18 . 1 1 19 19 TYR C C 19 176.860 176.860 178.192 -1.332 18805 5476 1 18 . 1 1 19 19 TYR CA C 19 60.736 60.736 61.244 -0.508 18805 5477 1 18 . 1 1 19 19 TYR CB C 19 38.557 38.557 38.058 0.499 18805 5478 1 18 . 1 1 19 19 TYR H H 19 8.145 8.145 8.452 -0.307 18805 5479 1 18 . 1 1 20 20 GLN N N 20 116.967 116.967 117.812 -0.845 18805 5480 1 18 . 1 1 20 20 GLN HA H 20 3.359 3.359 3.632 -0.273 18805 5481 1 18 . 1 1 20 20 GLN C C 20 177.344 177.344 178.216 -0.872 18805 5482 1 18 . 1 1 20 20 GLN CA C 20 59.633 59.633 59.075 0.558 18805 5483 1 18 . 1 1 20 20 GLN CB C 20 27.866 27.866 28.750 -0.885 18805 5484 1 18 . 1 1 20 20 GLN H H 20 7.545 7.545 7.714 -0.169 18805 5485 1 18 . 1 1 21 21 LEU N N 21 115.751 115.751 119.499 -3.748 18805 5486 1 18 . 1 1 21 21 LEU HA H 21 3.532 3.532 3.493 0.039 18805 5487 1 18 . 1 1 21 21 LEU C C 21 178.858 178.858 179.069 -0.211 18805 5488 1 18 . 1 1 21 21 LEU CA C 21 57.774 57.774 57.738 0.036 18805 5489 1 18 . 1 1 21 21 LEU CB C 21 41.660 41.660 41.566 0.094 18805 5490 1 18 . 1 1 21 21 LEU H H 21 8.116 8.116 8.161 -0.045 18805 5491 1 18 . 1 1 22 22 GLU N N 22 118.939 118.939 118.874 0.065 18805 5492 1 18 . 1 1 22 22 GLU HA H 22 3.876 3.876 3.959 -0.083 18805 5493 1 18 . 1 1 22 22 GLU C C 22 179.617 179.617 179.315 0.302 18805 5494 1 18 . 1 1 22 22 GLU CA C 22 59.244 59.244 59.474 -0.230 18805 5495 1 18 . 1 1 22 22 GLU CB C 22 29.454 29.454 29.348 0.107 18805 5496 1 18 . 1 1 22 22 GLU H H 22 8.108 8.108 8.044 0.064 18805 5497 1 18 . 1 1 23 23 GLU N N 23 117.643 117.643 119.626 -1.983 18805 5498 1 18 . 1 1 23 23 GLU HA H 23 3.699 3.699 3.955 -0.256 18805 5499 1 18 . 1 1 23 23 GLU C C 23 179.328 179.328 179.111 0.217 18805 5500 1 18 . 1 1 23 23 GLU CA C 23 58.616 58.616 58.661 -0.045 18805 5501 1 18 . 1 1 23 23 GLU CB C 23 29.191 29.191 29.145 0.046 18805 5502 1 18 . 1 1 23 23 GLU H H 23 7.631 7.631 7.588 0.043 18805 5503 1 18 . 1 1 24 24 LEU N N 24 122.218 122.218 119.799 2.419 18805 5504 1 18 . 1 1 24 24 LEU HA H 24 3.490 3.490 3.672 -0.182 18805 5505 1 18 . 1 1 24 24 LEU C C 24 177.731 177.731 178.659 -0.928 18805 5506 1 18 . 1 1 24 24 LEU CA C 24 58.732 58.732 57.927 0.805 18805 5507 1 18 . 1 1 24 24 LEU CB C 24 38.207 38.207 40.721 -2.514 18805 5508 1 18 . 1 1 24 24 LEU H H 24 7.995 7.995 8.044 -0.049 18805 5509 1 18 . 1 1 25 25 GLU N N 25 118.406 118.406 118.598 -0.192 18805 5510 1 18 . 1 1 25 25 GLU HA H 25 4.278 4.278 4.122 0.156 18805 5511 1 18 . 1 1 25 25 GLU C C 25 179.059 179.059 178.604 0.455 18805 5512 1 18 . 1 1 25 25 GLU CA C 25 58.612 58.612 59.244 -0.632 18805 5513 1 18 . 1 1 25 25 GLU CB C 25 28.957 28.957 29.525 -0.568 18805 5514 1 18 . 1 1 25 25 GLU H H 25 7.833 7.833 7.784 0.049 18805 5515 1 18 . 1 1 26 26 LYS N N 26 118.033 118.033 119.858 -1.825 18805 5516 1 18 . 1 1 26 26 LYS HA H 26 3.978 3.978 4.043 -0.065 18805 5517 1 18 . 1 1 26 26 LYS C C 26 180.388 180.388 179.217 1.171 18805 5518 1 18 . 1 1 26 26 LYS CA C 26 59.919 59.919 59.456 0.463 18805 5519 1 18 . 1 1 26 26 LYS CB C 26 32.821 32.821 32.302 0.519 18805 5520 1 18 . 1 1 26 26 LYS H H 26 7.795 7.795 7.825 -0.030 18805 5521 1 18 . 1 1 27 27 VAL N N 27 118.207 118.207 118.527 -0.320 18805 5522 1 18 . 1 1 27 27 VAL HA H 27 3.853 3.853 3.781 0.072 18805 5523 1 18 . 1 1 27 27 VAL C C 27 177.057 177.057 177.863 -0.806 18805 5524 1 18 . 1 1 27 27 VAL CA C 27 66.944 66.944 65.372 1.572 18805 5525 1 18 . 1 1 27 27 VAL CB C 27 31.034 31.034 31.931 -0.897 18805 5526 1 18 . 1 1 27 27 VAL H H 27 7.316 7.316 7.497 -0.181 18805 5527 1 18 . 1 1 28 28 PHE N N 28 122.791 122.791 121.213 1.578 18805 5528 1 18 . 1 1 28 28 PHE HA H 28 4.744 4.744 4.818 -0.074 18805 5529 1 18 . 1 1 28 28 PHE C C 28 175.721 175.721 176.679 -0.958 18805 5530 1 18 . 1 1 28 28 PHE CA C 28 61.452 61.452 60.221 1.231 18805 5531 1 18 . 1 1 28 28 PHE CB C 28 38.872 38.872 39.262 -0.390 18805 5532 1 18 . 1 1 28 28 PHE H H 28 8.540 8.540 7.874 0.666 18805 5533 1 18 . 1 1 29 29 GLN N N 29 112.048 112.048 117.069 -5.021 18805 5534 1 18 . 1 1 29 29 GLN HA H 29 3.843 3.843 4.012 -0.169 18805 5535 1 18 . 1 1 29 29 GLN C C 29 177.467 177.467 177.331 0.136 18805 5536 1 18 . 1 1 29 29 GLN CA C 29 57.595 57.595 57.680 -0.085 18805 5537 1 18 . 1 1 29 29 GLN CB C 29 28.204 28.204 28.442 -0.237 18805 5538 1 18 . 1 1 29 29 GLN H H 29 8.129 8.129 8.230 -0.101 18805 5539 1 18 . 1 1 30 30 LYS N N 30 118.854 118.854 117.399 1.455 18805 5540 1 18 . 1 1 30 30 LYS HA H 30 4.260 4.260 4.266 -0.006 18805 5541 1 18 . 1 1 30 30 LYS C C 30 176.920 176.920 177.102 -0.182 18805 5542 1 18 . 1 1 30 30 LYS CA C 30 57.449 57.449 57.275 0.174 18805 5543 1 18 . 1 1 30 30 LYS CB C 30 33.450 33.450 33.623 -0.173 18805 5544 1 18 . 1 1 30 30 LYS H H 30 7.599 7.599 7.630 -0.031 18805 5545 1 18 . 1 1 31 31 THR N N 31 115.210 115.210 111.808 3.402 18805 5546 1 18 . 1 1 31 31 THR HA H 31 4.279 4.279 4.427 -0.148 18805 5547 1 18 . 1 1 31 31 THR C C 31 171.092 171.092 173.078 -1.986 18805 5548 1 18 . 1 1 31 31 THR CA C 31 59.113 59.113 60.489 -1.375 18805 5549 1 18 . 1 1 31 31 THR CB C 31 69.375 69.375 69.944 -0.569 18805 5550 1 18 . 1 1 31 31 THR H H 31 8.840 8.840 7.972 0.868 18805 5551 1 18 . 1 1 32 32 HIS N N 32 123.048 123.048 124.020 -0.972 18805 5552 1 18 . 1 1 32 32 HIS HA H 32 4.343 4.343 4.238 0.105 18805 5553 1 18 . 1 1 32 32 HIS C C 32 174.598 174.598 174.667 -0.069 18805 5554 1 18 . 1 1 32 32 HIS CA C 32 55.323 55.323 57.706 -2.383 18805 5555 1 18 . 1 1 32 32 HIS CB C 32 30.975 30.975 29.688 1.287 18805 5556 1 18 . 1 1 32 32 HIS H H 32 8.342 8.342 8.895 -0.553 18805 5557 1 18 . 1 1 33 33 TYR N N 33 114.650 114.650 116.052 -1.402 18805 5558 1 18 . 1 1 33 33 TYR HA H 33 4.703 4.703 5.009 -0.306 18805 5559 1 18 . 1 1 33 33 TYR C C 33 172.558 172.558 172.628 -0.070 18805 5560 1 18 . 1 1 33 33 TYR CA C 33 55.146 55.146 53.641 1.505 18805 5561 1 18 . 1 1 33 33 TYR CB C 33 38.868 38.868 38.423 0.445 18805 5562 1 18 . 1 1 33 33 TYR H H 33 8.109 8.109 7.555 0.554 18805 5563 1 18 . 1 1 34 34 PRO HA H 34 4.273 4.273 4.185 0.088 18805 5564 1 18 . 1 1 34 34 PRO C C 34 177.097 177.097 176.255 0.842 18805 5565 1 18 . 1 1 34 34 PRO CA C 34 62.413 62.413 62.418 -0.005 18805 5566 1 18 . 1 1 34 34 PRO CB C 34 30.790 30.790 32.371 -1.581 18805 5567 1 18 . 1 1 35 35 ASP N N 35 124.197 124.197 124.491 -0.294 18805 5568 1 18 . 1 1 35 35 ASP HA H 35 4.447 4.447 4.426 0.021 18805 5569 1 18 . 1 1 35 35 ASP C C 35 175.603 175.603 177.598 -1.995 18805 5570 1 18 . 1 1 35 35 ASP CA C 35 52.685 52.685 54.535 -1.850 18805 5571 1 18 . 1 1 35 35 ASP CB C 35 40.952 40.952 41.576 -0.624 18805 5572 1 18 . 1 1 35 35 ASP H H 35 8.547 8.547 8.105 0.442 18805 5573 1 18 . 1 1 36 36 VAL N N 36 118.006 118.006 121.405 -3.399 18805 5574 1 18 . 1 1 36 36 VAL HA H 36 3.473 3.473 3.762 -0.289 18805 5575 1 18 . 1 1 36 36 VAL C C 36 176.268 176.268 177.186 -0.918 18805 5576 1 18 . 1 1 36 36 VAL CA C 36 66.404 66.404 65.766 0.638 18805 5577 1 18 . 1 1 36 36 VAL CB C 36 31.419 31.419 32.078 -0.659 18805 5578 1 18 . 1 1 36 36 VAL H H 36 8.281 8.281 8.393 -0.112 18805 5579 1 18 . 1 1 37 37 TYR N N 37 121.225 121.225 120.520 0.705 18805 5580 1 18 . 1 1 37 37 TYR HA H 37 4.305 4.305 4.369 -0.064 18805 5581 1 18 . 1 1 37 37 TYR C C 37 178.136 178.136 176.629 1.507 18805 5582 1 18 . 1 1 37 37 TYR CA C 37 60.808 60.808 60.978 -0.171 18805 5583 1 18 . 1 1 37 37 TYR CB C 37 37.392 37.392 37.489 -0.097 18805 5584 1 18 . 1 1 37 37 TYR H H 37 7.423 7.423 8.191 -0.768 18805 5585 1 18 . 1 1 38 38 ALA N N 38 122.550 122.550 122.279 0.271 18805 5586 1 18 . 1 1 38 38 ALA HA H 38 4.071 4.071 3.972 0.099 18805 5587 1 18 . 1 1 38 38 ALA C C 38 182.258 182.258 179.845 2.413 18805 5588 1 18 . 1 1 38 38 ALA CA C 38 54.885 54.885 55.027 -0.142 18805 5589 1 18 . 1 1 38 38 ALA CB C 38 18.336 18.336 17.960 0.376 18805 5590 1 18 . 1 1 38 38 ALA H H 38 8.376 8.376 8.352 0.024 18805 5591 1 18 . 1 1 39 39 ARG N N 39 117.400 117.400 117.664 -0.264 18805 5592 1 18 . 1 1 39 39 ARG HA H 39 3.834 3.834 3.881 -0.047 18805 5593 1 18 . 1 1 39 39 ARG C C 39 178.142 178.142 178.792 -0.650 18805 5594 1 18 . 1 1 39 39 ARG CA C 39 60.991 60.991 59.499 1.492 18805 5595 1 18 . 1 1 39 39 ARG CB C 39 31.335 31.335 29.902 1.433 18805 5596 1 18 . 1 1 39 39 ARG H H 39 8.699 8.699 7.944 0.755 18805 5597 1 18 . 1 1 40 40 GLU N N 40 121.231 121.231 119.484 1.747 18805 5598 1 18 . 1 1 40 40 GLU HA H 40 3.943 3.943 3.911 0.032 18805 5599 1 18 . 1 1 40 40 GLU C C 40 179.598 179.598 178.844 0.754 18805 5600 1 18 . 1 1 40 40 GLU CA C 40 59.805 59.805 58.859 0.946 18805 5601 1 18 . 1 1 40 40 GLU CB C 40 29.508 29.508 28.579 0.929 18805 5602 1 18 . 1 1 40 40 GLU H H 40 8.672 8.672 7.616 1.056 18805 5603 1 18 . 1 1 41 41 GLN N N 41 118.662 118.662 117.528 1.134 18805 5604 1 18 . 1 1 41 41 GLN HA H 41 3.958 3.958 3.956 0.002 18805 5605 1 18 . 1 1 41 41 GLN C C 41 178.675 178.675 178.582 0.093 18805 5606 1 18 . 1 1 41 41 GLN CA C 41 58.594 58.594 58.050 0.544 18805 5607 1 18 . 1 1 41 41 GLN CB C 41 28.396 28.396 28.200 0.196 18805 5608 1 18 . 1 1 41 41 GLN H H 41 8.264 8.264 7.396 0.868 18805 5609 1 18 . 1 1 42 42 LEU N N 42 121.044 121.044 120.650 0.394 18805 5610 1 18 . 1 1 42 42 LEU HA H 42 4.009 4.009 4.030 -0.021 18805 5611 1 18 . 1 1 42 42 LEU C C 42 179.727 179.727 178.097 1.630 18805 5612 1 18 . 1 1 42 42 LEU CA C 42 57.600 57.600 57.201 0.399 18805 5613 1 18 . 1 1 42 42 LEU CB C 42 42.752 42.752 41.374 1.378 18805 5614 1 18 . 1 1 42 42 LEU H H 42 7.909 7.909 7.547 0.362 18805 5615 1 18 . 1 1 43 43 ALA N N 43 124.342 124.342 122.295 2.047 18805 5616 1 18 . 1 1 43 43 ALA HA H 43 3.697 3.697 4.205 -0.508 18805 5617 1 18 . 1 1 43 43 ALA C C 43 179.056 179.056 179.840 -0.784 18805 5618 1 18 . 1 1 43 43 ALA CA C 43 55.561 55.561 54.566 0.996 18805 5619 1 18 . 1 1 43 43 ALA CB C 43 17.186 17.186 18.692 -1.506 18805 5620 1 18 . 1 1 43 43 ALA H H 43 8.647 8.647 8.178 0.469 18805 5621 1 18 . 1 1 44 44 MET N N 44 115.878 115.878 115.561 0.317 18805 5622 1 18 . 1 1 44 44 MET HA H 44 4.262 4.262 4.271 -0.009 18805 5623 1 18 . 1 1 44 44 MET C C 44 179.154 179.154 178.093 1.061 18805 5624 1 18 . 1 1 44 44 MET CA C 44 58.569 58.569 56.748 1.821 18805 5625 1 18 . 1 1 44 44 MET CB C 44 32.138 32.138 31.569 0.569 18805 5626 1 18 . 1 1 44 44 MET H H 44 7.926 7.926 8.002 -0.076 18805 5627 1 18 . 1 1 45 45 ARG N N 45 116.503 116.503 119.149 -2.646 18805 5628 1 18 . 1 1 45 45 ARG HA H 45 4.402 4.402 4.371 0.031 18805 5629 1 18 . 1 1 45 45 ARG C C 45 177.591 177.591 178.771 -1.180 18805 5630 1 18 . 1 1 45 45 ARG CA C 45 58.315 58.315 58.386 -0.072 18805 5631 1 18 . 1 1 45 45 ARG CB C 45 30.909 30.909 30.705 0.204 18805 5632 1 18 . 1 1 45 45 ARG H H 45 7.903 7.903 7.690 0.213 18805 5633 1 18 . 1 1 46 46 THR N N 46 105.711 105.711 109.839 -4.128 18805 5634 1 18 . 1 1 46 46 THR HA H 46 4.501 4.501 4.308 0.193 18805 5635 1 18 . 1 1 46 46 THR C C 46 174.417 174.417 174.787 -0.370 18805 5636 1 18 . 1 1 46 46 THR CA C 46 61.808 61.808 63.339 -1.531 18805 5637 1 18 . 1 1 46 46 THR CB C 46 70.714 70.714 69.210 1.504 18805 5638 1 18 . 1 1 46 46 THR H H 46 7.662 7.662 8.213 -0.551 18805 5639 1 18 . 1 1 47 47 ASP N N 47 120.391 120.391 119.444 0.947 18805 5640 1 18 . 1 1 47 47 ASP HA H 47 4.472 4.472 4.369 0.103 18805 5641 1 18 . 1 1 47 47 ASP C C 47 174.537 174.537 175.381 -0.844 18805 5642 1 18 . 1 1 47 47 ASP CA C 47 55.933 55.933 55.535 0.398 18805 5643 1 18 . 1 1 47 47 ASP CB C 47 39.565 39.565 39.940 -0.374 18805 5644 1 18 . 1 1 47 47 ASP H H 47 7.922 7.922 7.960 -0.038 18805 5645 1 18 . 1 1 48 48 LEU N N 48 118.406 118.406 119.236 -0.830 18805 5646 1 18 . 1 1 48 48 LEU HA H 48 4.891 4.891 4.501 0.390 18805 5647 1 18 . 1 1 48 48 LEU C C 48 176.180 176.180 177.298 -1.118 18805 5648 1 18 . 1 1 48 48 LEU CA C 48 52.943 52.943 54.151 -1.208 18805 5649 1 18 . 1 1 48 48 LEU CB C 48 46.638 46.638 42.945 3.693 18805 5650 1 18 . 1 1 48 48 LEU H H 48 8.072 8.072 7.444 0.628 18805 5651 1 18 . 1 1 49 49 THR N N 49 106.891 106.891 115.348 -8.457 18805 5652 1 18 . 1 1 49 49 THR HA H 49 4.597 4.597 4.397 0.200 18805 5653 1 18 . 1 1 49 49 THR C C 49 175.667 175.667 175.613 0.054 18805 5654 1 18 . 1 1 49 49 THR CA C 49 59.573 59.573 61.714 -2.141 18805 5655 1 18 . 1 1 49 49 THR CB C 49 71.085 71.085 69.910 1.175 18805 5656 1 18 . 1 1 49 49 THR H H 49 7.071 7.071 8.094 -1.023 18805 5657 1 18 . 1 1 50 50 GLU N N 50 124.013 124.013 126.450 -2.437 18805 5658 1 18 . 1 1 50 50 GLU HA H 50 3.721 3.721 3.838 -0.117 18805 5659 1 18 . 1 1 50 50 GLU C C 50 178.112 178.112 178.178 -0.066 18805 5660 1 18 . 1 1 50 50 GLU CA C 50 60.982 60.982 60.305 0.677 18805 5661 1 18 . 1 1 50 50 GLU CB C 50 28.654 28.654 29.645 -0.991 18805 5662 1 18 . 1 1 50 50 GLU H H 50 9.271 9.271 9.071 0.200 18805 5663 1 18 . 1 1 51 51 ALA N N 51 119.708 119.708 120.256 -0.548 18805 5664 1 18 . 1 1 51 51 ALA HA H 51 4.108 4.108 4.164 -0.056 18805 5665 1 18 . 1 1 51 51 ALA C C 51 180.493 180.493 180.080 0.413 18805 5666 1 18 . 1 1 51 51 ALA CA C 51 55.200 55.200 55.086 0.114 18805 5667 1 18 . 1 1 51 51 ALA CB C 51 18.397 18.397 18.331 0.066 18805 5668 1 18 . 1 1 51 51 ALA H H 51 8.377 8.377 8.312 0.065 18805 5669 1 18 . 1 1 52 52 ARG N N 52 117.740 117.740 118.510 -0.770 18805 5670 1 18 . 1 1 52 52 ARG HA H 52 4.213 4.213 4.317 -0.104 18805 5671 1 18 . 1 1 52 52 ARG C C 52 179.734 179.734 179.066 0.668 18805 5672 1 18 . 1 1 52 52 ARG CA C 52 59.006 59.006 58.516 0.490 18805 5673 1 18 . 1 1 52 52 ARG CB C 52 30.626 30.626 29.670 0.956 18805 5674 1 18 . 1 1 52 52 ARG H H 52 7.756 7.756 7.846 -0.090 18805 5675 1 18 . 1 1 53 53 VAL N N 53 120.607 120.607 121.037 -0.430 18805 5676 1 18 . 1 1 53 53 VAL HA H 53 3.706 3.706 3.773 -0.067 18805 5677 1 18 . 1 1 53 53 VAL C C 53 177.734 177.734 177.971 -0.237 18805 5678 1 18 . 1 1 53 53 VAL CA C 53 67.350 67.350 66.476 0.874 18805 5679 1 18 . 1 1 53 53 VAL CB C 53 31.900 31.900 31.157 0.743 18805 5680 1 18 . 1 1 53 53 VAL H H 53 8.206 8.206 8.152 0.054 18805 5681 1 18 . 1 1 54 54 GLN N N 54 119.441 119.441 119.065 0.376 18805 5682 1 18 . 1 1 54 54 GLN HA H 54 4.401 4.401 3.998 0.403 18805 5683 1 18 . 1 1 54 54 GLN C C 54 179.055 179.055 179.173 -0.118 18805 5684 1 18 . 1 1 54 54 GLN CA C 54 60.036 60.036 59.097 0.939 18805 5685 1 18 . 1 1 54 54 GLN CB C 54 28.509 28.509 28.696 -0.187 18805 5686 1 18 . 1 1 54 54 GLN H H 54 8.747 8.747 7.603 1.144 18805 5687 1 18 . 1 1 55 55 VAL N N 55 119.951 119.951 119.299 0.652 18805 5688 1 18 . 1 1 55 55 VAL HA H 55 3.783 3.783 3.822 -0.039 18805 5689 1 18 . 1 1 55 55 VAL C C 55 177.751 177.751 177.371 0.380 18805 5690 1 18 . 1 1 55 55 VAL CA C 55 66.575 66.575 67.155 -0.580 18805 5691 1 18 . 1 1 55 55 VAL CB C 55 32.017 32.017 31.482 0.535 18805 5692 1 18 . 1 1 55 55 VAL H H 55 7.973 7.973 8.376 -0.403 18805 5693 1 18 . 1 1 56 56 TRP N N 56 121.386 121.386 121.897 -0.511 18805 5694 1 18 . 1 1 56 56 TRP HA H 56 4.075 4.075 4.193 -0.118 18805 5695 1 18 . 1 1 56 56 TRP C C 56 179.849 179.849 178.154 1.695 18805 5696 1 18 . 1 1 56 56 TRP CA C 56 63.249 63.249 61.591 1.658 18805 5697 1 18 . 1 1 56 56 TRP CB C 56 28.266 28.266 29.410 -1.145 18805 5698 1 18 . 1 1 56 56 TRP H H 56 8.351 8.351 7.716 0.635 18805 5699 1 18 . 1 1 57 57 PHE N N 57 118.444 118.444 116.945 1.499 18805 5700 1 18 . 1 1 57 57 PHE HA H 57 3.629 3.629 3.912 -0.283 18805 5701 1 18 . 1 1 57 57 PHE C C 57 178.058 178.058 178.200 -0.142 18805 5702 1 18 . 1 1 57 57 PHE CA C 57 63.831 63.831 62.061 1.770 18805 5703 1 18 . 1 1 57 57 PHE CB C 57 39.161 39.161 38.531 0.630 18805 5704 1 18 . 1 1 57 57 PHE H H 57 8.924 8.924 8.321 0.603 18805 5705 1 18 . 1 1 58 58 GLN N N 58 119.552 119.552 118.533 1.019 18805 5706 1 18 . 1 1 58 58 GLN HA H 58 3.958 3.958 3.970 -0.012 18805 5707 1 18 . 1 1 58 58 GLN C C 58 179.475 179.475 178.466 1.009 18805 5708 1 18 . 1 1 58 58 GLN CA C 58 59.730 59.730 59.461 0.269 18805 5709 1 18 . 1 1 58 58 GLN CB C 58 28.108 28.108 28.616 -0.508 18805 5710 1 18 . 1 1 58 58 GLN H H 58 8.322 8.322 7.869 0.453 18805 5711 1 18 . 1 1 59 59 ASN N N 59 119.095 119.095 117.113 1.982 18805 5712 1 18 . 1 1 59 59 ASN HA H 59 4.344 4.344 4.505 -0.161 18805 5713 1 18 . 1 1 59 59 ASN C C 59 177.212 177.212 177.566 -0.354 18805 5714 1 18 . 1 1 59 59 ASN CA C 59 55.536 55.536 55.543 -0.007 18805 5715 1 18 . 1 1 59 59 ASN CB C 59 37.920 37.920 38.414 -0.494 18805 5716 1 18 . 1 1 59 59 ASN H H 59 8.158 8.158 7.974 0.184 18805 5717 1 18 . 1 1 60 60 ARG N N 60 124.480 124.480 121.128 3.352 18805 5718 1 18 . 1 1 60 60 ARG HA H 60 3.383 3.383 3.753 -0.370 18805 5719 1 18 . 1 1 60 60 ARG C C 60 179.622 179.622 178.109 1.513 18805 5720 1 18 . 1 1 60 60 ARG CA C 60 56.532 56.532 57.430 -0.898 18805 5721 1 18 . 1 1 60 60 ARG CB C 60 27.904 27.904 29.036 -1.132 18805 5722 1 18 . 1 1 60 60 ARG H H 60 8.494 8.494 7.804 0.690 18805 5723 1 18 . 1 1 61 61 ARG N N 61 118.870 118.870 119.050 -0.180 18805 5724 1 18 . 1 1 61 61 ARG HA H 61 3.946 3.946 4.397 -0.451 18805 5725 1 18 . 1 1 61 61 ARG C C 61 178.392 178.392 178.296 0.096 18805 5726 1 18 . 1 1 61 61 ARG CA C 61 60.599 60.599 59.627 0.972 18805 5727 1 18 . 1 1 61 61 ARG CB C 61 31.546 31.546 30.056 1.490 18805 5728 1 18 . 1 1 61 61 ARG H H 61 8.310 8.310 8.134 0.176 18805 5729 1 18 . 1 1 62 62 ALA N N 62 121.373 121.373 122.170 -0.797 18805 5730 1 18 . 1 1 62 62 ALA HA H 62 4.163 4.163 4.186 -0.023 18805 5731 1 18 . 1 1 62 62 ALA C C 62 179.899 179.899 178.816 1.083 18805 5732 1 18 . 1 1 62 62 ALA CA C 62 55.109 55.109 55.205 -0.096 18805 5733 1 18 . 1 1 62 62 ALA CB C 62 17.754 17.754 18.277 -0.523 18805 5734 1 18 . 1 1 62 62 ALA H H 62 7.382 7.382 7.561 -0.179 18805 5735 1 18 . 1 1 63 63 LYS N N 63 118.540 118.540 117.449 1.091 18805 5736 1 18 . 1 1 63 63 LYS HA H 63 3.986 3.986 4.291 -0.305 18805 5737 1 18 . 1 1 63 63 LYS C C 63 178.259 178.259 178.251 0.008 18805 5738 1 18 . 1 1 63 63 LYS CA C 63 58.727 58.727 57.808 0.919 18805 5739 1 18 . 1 1 63 63 LYS CB C 63 32.634 32.634 32.334 0.300 18805 5740 1 18 . 1 1 63 63 LYS H H 63 7.573 7.573 7.361 0.212 18805 5741 1 18 . 1 1 64 64 TRP N N 64 121.094 121.094 120.760 0.334 18805 5742 1 18 . 1 1 64 64 TRP HA H 64 4.436 4.436 4.409 0.027 18805 5743 1 18 . 1 1 64 64 TRP C C 64 177.662 177.662 176.939 0.723 18805 5744 1 18 . 1 1 64 64 TRP CA C 64 60.130 60.130 59.436 0.694 18805 5745 1 18 . 1 1 64 64 TRP CB C 64 29.138 29.138 30.036 -0.898 18805 5746 1 18 . 1 1 64 64 TRP H H 64 8.032 8.032 7.893 0.140 18805 5747 1 18 . 1 1 65 65 ARG N N 65 118.674 118.674 119.979 -1.305 18805 5748 1 18 . 1 1 65 65 ARG HA H 65 3.783 3.783 3.838 -0.055 18805 5749 1 18 . 1 1 65 65 ARG C C 65 177.342 177.342 175.905 1.437 18805 5750 1 18 . 1 1 65 65 ARG CA C 65 58.290 58.290 56.140 2.150 18805 5751 1 18 . 1 1 65 65 ARG CB C 65 30.580 30.580 29.832 0.748 18805 5752 1 18 . 1 1 65 65 ARG H H 65 8.232 8.232 7.699 0.533 18805 5753 1 18 . 1 1 66 66 LYS N N 66 118.567 118.567 125.421 -6.854 18805 5754 1 18 . 1 1 66 66 LYS HA H 66 4.122 4.122 3.981 0.141 18805 5755 1 18 . 1 1 66 66 LYS C C 66 177.060 177.060 176.402 0.658 18805 5756 1 18 . 1 1 66 66 LYS CA C 66 57.389 57.389 56.636 0.753 18805 5757 1 18 . 1 1 66 66 LYS CB C 66 32.659 32.659 32.904 -0.245 18805 5758 1 18 . 1 1 66 66 LYS H H 66 7.591 7.591 8.128 -0.537 18805 5759 1 18 . 1 1 67 67 ARG N N 67 119.185 119.185 124.741 -5.556 18805 5760 1 18 . 1 1 67 67 ARG HA H 67 4.183 4.183 4.485 -0.302 18805 5761 1 18 . 1 1 67 67 ARG C C 67 176.830 176.830 175.371 1.459 18805 5762 1 18 . 1 1 67 67 ARG CA C 67 56.879 56.879 55.465 1.414 18805 5763 1 18 . 1 1 67 67 ARG CB C 67 30.226 30.226 30.492 -0.266 18805 5764 1 18 . 1 1 67 67 ARG H H 67 7.722 7.722 8.278 -0.556 18805 5765 1 18 . 1 1 68 68 GLU N N 68 120.614 120.614 120.836 -0.222 18805 5766 1 18 . 1 1 68 68 GLU HA H 68 4.087 4.087 3.828 0.259 18805 5767 1 18 . 1 1 68 68 GLU C C 68 176.803 176.803 175.820 0.983 18805 5768 1 18 . 1 1 68 68 GLU CA C 68 57.076 57.076 57.693 -0.617 18805 5769 1 18 . 1 1 68 68 GLU CB C 68 30.099 30.099 29.301 0.798 18805 5770 1 18 . 1 1 68 68 GLU H H 68 8.157 8.157 9.028 -0.871 18805 5771 1 18 . 1 1 69 69 ARG N N 69 120.012 120.012 115.815 4.197 18805 5772 1 18 . 1 1 69 69 ARG C C 69 176.270 176.270 175.577 0.693 18805 5773 1 18 . 1 1 69 69 ARG CA C 69 66.543 66.543 56.987 9.556 18805 5774 1 18 . 1 1 69 69 ARG CB C 69 32.203 32.203 27.773 4.430 18805 5775 1 18 . 1 1 69 69 ARG H H 69 7.974 7.974 8.194 -0.220 18805 5776 1 18 . 1 1 70 70 PHE HA H 70 4.577 4.577 4.032 0.545 18805 5777 1 18 . 1 1 70 70 PHE CA C 70 58.021 58.021 59.144 -1.123 18805 5778 1 18 . 1 1 70 70 PHE CB C 70 39.295 39.295 35.905 3.390 18805 5779 1 19 . 1 1 16 16 PHE HA H 16 5.000 5.000 5.313 -0.313 18805 5780 1 19 . 1 1 16 16 PHE C C 16 176.744 176.744 175.432 1.312 18805 5781 1 19 . 1 1 16 16 PHE CA C 16 57.425 57.425 56.037 1.388 18805 5782 1 19 . 1 1 16 16 PHE CB C 16 41.475 41.475 43.124 -1.649 18805 5783 1 19 . 1 1 16 16 PHE H H 16 9.114 9.114 7.539 1.575 18805 5784 1 19 . 1 1 17 17 THR N N 17 113.394 113.394 113.398 -0.004 18805 5785 1 19 . 1 1 17 17 THR HA H 17 4.552 4.552 4.768 -0.216 18805 5786 1 19 . 1 1 17 17 THR C C 17 175.352 175.352 175.848 -0.496 18805 5787 1 19 . 1 1 17 17 THR CA C 17 60.392 60.392 60.214 0.178 18805 5788 1 19 . 1 1 17 17 THR CB C 17 71.013 71.013 70.962 0.051 18805 5789 1 19 . 1 1 17 17 THR H H 17 9.106 9.106 8.859 0.247 18805 5790 1 19 . 1 1 18 18 SER HA H 18 4.146 4.146 4.185 -0.039 18805 5791 1 19 . 1 1 18 18 SER C C 18 176.860 176.860 176.258 0.602 18805 5792 1 19 . 1 1 18 18 SER CA C 18 62.173 62.173 61.835 0.338 18805 5793 1 19 . 1 1 18 18 SER CB C 18 62.172 62.172 62.873 -0.701 18805 5794 1 19 . 1 1 19 19 TYR N N 19 121.561 121.561 122.720 -1.159 18805 5795 1 19 . 1 1 19 19 TYR HA H 19 4.340 4.340 4.089 0.251 18805 5796 1 19 . 1 1 19 19 TYR C C 19 176.860 176.860 177.311 -0.451 18805 5797 1 19 . 1 1 19 19 TYR CA C 19 60.736 60.736 61.293 -0.557 18805 5798 1 19 . 1 1 19 19 TYR CB C 19 38.557 38.557 38.105 0.452 18805 5799 1 19 . 1 1 19 19 TYR H H 19 8.145 8.145 8.303 -0.158 18805 5800 1 19 . 1 1 20 20 GLN N N 20 116.967 116.967 117.862 -0.895 18805 5801 1 19 . 1 1 20 20 GLN HA H 20 3.359 3.359 3.623 -0.264 18805 5802 1 19 . 1 1 20 20 GLN C C 20 177.344 177.344 178.191 -0.847 18805 5803 1 19 . 1 1 20 20 GLN CA C 20 59.633 59.633 59.036 0.597 18805 5804 1 19 . 1 1 20 20 GLN CB C 20 27.866 27.866 28.765 -0.899 18805 5805 1 19 . 1 1 20 20 GLN H H 20 7.545 7.545 7.778 -0.233 18805 5806 1 19 . 1 1 21 21 LEU N N 21 115.751 115.751 119.777 -4.026 18805 5807 1 19 . 1 1 21 21 LEU HA H 21 3.532 3.532 3.483 0.049 18805 5808 1 19 . 1 1 21 21 LEU C C 21 178.858 178.858 178.922 -0.064 18805 5809 1 19 . 1 1 21 21 LEU CA C 21 57.774 57.774 57.750 0.024 18805 5810 1 19 . 1 1 21 21 LEU CB C 21 41.660 41.660 41.567 0.093 18805 5811 1 19 . 1 1 21 21 LEU H H 21 8.116 8.116 8.225 -0.109 18805 5812 1 19 . 1 1 22 22 GLU N N 22 118.939 118.939 118.325 0.614 18805 5813 1 19 . 1 1 22 22 GLU HA H 22 3.876 3.876 3.891 -0.015 18805 5814 1 19 . 1 1 22 22 GLU C C 22 179.617 179.617 179.160 0.457 18805 5815 1 19 . 1 1 22 22 GLU CA C 22 59.244 59.244 59.329 -0.085 18805 5816 1 19 . 1 1 22 22 GLU CB C 22 29.454 29.454 29.352 0.102 18805 5817 1 19 . 1 1 22 22 GLU H H 22 8.108 8.108 7.886 0.222 18805 5818 1 19 . 1 1 23 23 GLU N N 23 117.643 117.643 119.424 -1.781 18805 5819 1 19 . 1 1 23 23 GLU HA H 23 3.699 3.699 3.959 -0.260 18805 5820 1 19 . 1 1 23 23 GLU C C 23 179.328 179.328 179.024 0.304 18805 5821 1 19 . 1 1 23 23 GLU CA C 23 58.616 58.616 58.503 0.113 18805 5822 1 19 . 1 1 23 23 GLU CB C 23 29.191 29.191 29.164 0.027 18805 5823 1 19 . 1 1 23 23 GLU H H 23 7.631 7.631 7.456 0.175 18805 5824 1 19 . 1 1 24 24 LEU N N 24 122.218 122.218 119.441 2.777 18805 5825 1 19 . 1 1 24 24 LEU HA H 24 3.490 3.490 3.640 -0.150 18805 5826 1 19 . 1 1 24 24 LEU C C 24 177.731 177.731 178.749 -1.018 18805 5827 1 19 . 1 1 24 24 LEU CA C 24 58.732 58.732 57.939 0.793 18805 5828 1 19 . 1 1 24 24 LEU CB C 24 38.207 38.207 40.477 -2.270 18805 5829 1 19 . 1 1 24 24 LEU H H 24 7.995 7.995 7.914 0.081 18805 5830 1 19 . 1 1 25 25 GLU N N 25 118.406 118.406 118.478 -0.072 18805 5831 1 19 . 1 1 25 25 GLU HA H 25 4.278 4.278 4.144 0.134 18805 5832 1 19 . 1 1 25 25 GLU C C 25 179.059 179.059 178.544 0.515 18805 5833 1 19 . 1 1 25 25 GLU CA C 25 58.612 58.612 59.142 -0.530 18805 5834 1 19 . 1 1 25 25 GLU CB C 25 28.957 28.957 29.453 -0.496 18805 5835 1 19 . 1 1 25 25 GLU H H 25 7.833 7.833 7.882 -0.049 18805 5836 1 19 . 1 1 26 26 LYS N N 26 118.033 118.033 120.101 -2.068 18805 5837 1 19 . 1 1 26 26 LYS HA H 26 3.978 3.978 4.080 -0.102 18805 5838 1 19 . 1 1 26 26 LYS C C 26 180.388 180.388 179.229 1.159 18805 5839 1 19 . 1 1 26 26 LYS CA C 26 59.919 59.919 59.327 0.592 18805 5840 1 19 . 1 1 26 26 LYS CB C 26 32.821 32.821 32.379 0.442 18805 5841 1 19 . 1 1 26 26 LYS H H 26 7.795 7.795 7.585 0.210 18805 5842 1 19 . 1 1 27 27 VAL N N 27 118.207 118.207 119.268 -1.061 18805 5843 1 19 . 1 1 27 27 VAL HA H 27 3.853 3.853 3.734 0.119 18805 5844 1 19 . 1 1 27 27 VAL C C 27 177.057 177.057 177.396 -0.339 18805 5845 1 19 . 1 1 27 27 VAL CA C 27 66.944 66.944 65.938 1.006 18805 5846 1 19 . 1 1 27 27 VAL CB C 27 31.034 31.034 31.884 -0.850 18805 5847 1 19 . 1 1 27 27 VAL H H 27 7.316 7.316 7.653 -0.337 18805 5848 1 19 . 1 1 28 28 PHE N N 28 122.791 122.791 120.774 2.017 18805 5849 1 19 . 1 1 28 28 PHE HA H 28 4.744 4.744 4.766 -0.022 18805 5850 1 19 . 1 1 28 28 PHE C C 28 175.721 175.721 176.569 -0.848 18805 5851 1 19 . 1 1 28 28 PHE CA C 28 61.452 61.452 60.609 0.843 18805 5852 1 19 . 1 1 28 28 PHE CB C 28 38.872 38.872 39.338 -0.466 18805 5853 1 19 . 1 1 28 28 PHE H H 28 8.540 8.540 7.871 0.669 18805 5854 1 19 . 1 1 29 29 GLN N N 29 112.048 112.048 115.279 -3.231 18805 5855 1 19 . 1 1 29 29 GLN HA H 29 3.843 3.843 4.059 -0.216 18805 5856 1 19 . 1 1 29 29 GLN C C 29 177.467 177.467 177.626 -0.159 18805 5857 1 19 . 1 1 29 29 GLN CA C 29 57.595 57.595 57.445 0.150 18805 5858 1 19 . 1 1 29 29 GLN CB C 29 28.204 28.204 28.568 -0.364 18805 5859 1 19 . 1 1 29 29 GLN H H 29 8.129 8.129 8.149 -0.020 18805 5860 1 19 . 1 1 30 30 LYS N N 30 118.854 118.854 117.882 0.972 18805 5861 1 19 . 1 1 30 30 LYS HA H 30 4.260 4.260 4.338 -0.078 18805 5862 1 19 . 1 1 30 30 LYS C C 30 176.920 176.920 177.420 -0.500 18805 5863 1 19 . 1 1 30 30 LYS CA C 30 57.449 57.449 57.387 0.062 18805 5864 1 19 . 1 1 30 30 LYS CB C 30 33.450 33.450 33.477 -0.027 18805 5865 1 19 . 1 1 30 30 LYS H H 30 7.599 7.599 7.387 0.212 18805 5866 1 19 . 1 1 31 31 THR N N 31 115.210 115.210 113.442 1.768 18805 5867 1 19 . 1 1 31 31 THR HA H 31 4.279 4.279 4.420 -0.141 18805 5868 1 19 . 1 1 31 31 THR C C 31 171.092 171.092 174.170 -3.078 18805 5869 1 19 . 1 1 31 31 THR CA C 31 59.113 59.113 60.414 -1.301 18805 5870 1 19 . 1 1 31 31 THR CB C 31 69.375 69.375 70.072 -0.697 18805 5871 1 19 . 1 1 31 31 THR H H 31 8.840 8.840 8.157 0.683 18805 5872 1 19 . 1 1 32 32 HIS N N 32 123.048 123.048 125.552 -2.504 18805 5873 1 19 . 1 1 32 32 HIS HA H 32 4.343 4.343 4.580 -0.237 18805 5874 1 19 . 1 1 32 32 HIS C C 32 174.598 174.598 174.638 -0.040 18805 5875 1 19 . 1 1 32 32 HIS CA C 32 55.323 55.323 56.770 -1.448 18805 5876 1 19 . 1 1 32 32 HIS CB C 32 30.975 30.975 30.225 0.750 18805 5877 1 19 . 1 1 32 32 HIS H H 32 8.342 8.342 8.838 -0.496 18805 5878 1 19 . 1 1 33 33 TYR N N 33 114.650 114.650 117.221 -2.571 18805 5879 1 19 . 1 1 33 33 TYR HA H 33 4.703 4.703 4.857 -0.154 18805 5880 1 19 . 1 1 33 33 TYR C C 33 172.558 172.558 173.160 -0.602 18805 5881 1 19 . 1 1 33 33 TYR CA C 33 55.146 55.146 53.783 1.363 18805 5882 1 19 . 1 1 33 33 TYR CB C 33 38.868 38.868 37.809 1.059 18805 5883 1 19 . 1 1 33 33 TYR H H 33 8.109 8.109 7.438 0.671 18805 5884 1 19 . 1 1 34 34 PRO HA H 34 4.273 4.273 4.272 0.001 18805 5885 1 19 . 1 1 34 34 PRO C C 34 177.097 177.097 176.176 0.921 18805 5886 1 19 . 1 1 34 34 PRO CA C 34 62.413 62.413 62.880 -0.467 18805 5887 1 19 . 1 1 34 34 PRO CB C 34 30.790 30.790 31.996 -1.206 18805 5888 1 19 . 1 1 35 35 ASP N N 35 124.197 124.197 124.262 -0.065 18805 5889 1 19 . 1 1 35 35 ASP HA H 35 4.447 4.447 4.493 -0.046 18805 5890 1 19 . 1 1 35 35 ASP C C 35 175.603 175.603 178.083 -2.480 18805 5891 1 19 . 1 1 35 35 ASP CA C 35 52.685 52.685 54.565 -1.880 18805 5892 1 19 . 1 1 35 35 ASP CB C 35 40.952 40.952 42.173 -1.221 18805 5893 1 19 . 1 1 35 35 ASP H H 35 8.547 8.547 8.346 0.201 18805 5894 1 19 . 1 1 36 36 VAL N N 36 118.006 118.006 121.530 -3.524 18805 5895 1 19 . 1 1 36 36 VAL HA H 36 3.473 3.473 3.750 -0.277 18805 5896 1 19 . 1 1 36 36 VAL C C 36 176.268 176.268 177.350 -1.082 18805 5897 1 19 . 1 1 36 36 VAL CA C 36 66.404 66.404 66.608 -0.204 18805 5898 1 19 . 1 1 36 36 VAL CB C 36 31.419 31.419 31.774 -0.355 18805 5899 1 19 . 1 1 36 36 VAL H H 36 8.281 8.281 8.484 -0.203 18805 5900 1 19 . 1 1 37 37 TYR N N 37 121.225 121.225 119.885 1.340 18805 5901 1 19 . 1 1 37 37 TYR HA H 37 4.305 4.305 4.216 0.089 18805 5902 1 19 . 1 1 37 37 TYR C C 37 178.136 178.136 177.023 1.113 18805 5903 1 19 . 1 1 37 37 TYR CA C 37 60.808 60.808 61.499 -0.691 18805 5904 1 19 . 1 1 37 37 TYR CB C 37 37.392 37.392 37.916 -0.524 18805 5905 1 19 . 1 1 37 37 TYR H H 37 7.423 7.423 8.423 -1.000 18805 5906 1 19 . 1 1 38 38 ALA N N 38 122.550 122.550 121.495 1.055 18805 5907 1 19 . 1 1 38 38 ALA HA H 38 4.071 4.071 4.001 0.070 18805 5908 1 19 . 1 1 38 38 ALA C C 38 182.258 182.258 179.921 2.337 18805 5909 1 19 . 1 1 38 38 ALA CA C 38 54.885 54.885 54.683 0.202 18805 5910 1 19 . 1 1 38 38 ALA CB C 38 18.336 18.336 18.026 0.310 18805 5911 1 19 . 1 1 38 38 ALA H H 38 8.376 8.376 7.711 0.665 18805 5912 1 19 . 1 1 39 39 ARG N N 39 117.400 117.400 118.387 -0.987 18805 5913 1 19 . 1 1 39 39 ARG HA H 39 3.834 3.834 4.001 -0.167 18805 5914 1 19 . 1 1 39 39 ARG C C 39 178.142 178.142 178.928 -0.786 18805 5915 1 19 . 1 1 39 39 ARG CA C 39 60.991 60.991 58.440 2.551 18805 5916 1 19 . 1 1 39 39 ARG CB C 39 31.335 31.335 29.482 1.853 18805 5917 1 19 . 1 1 39 39 ARG H H 39 8.699 8.699 8.155 0.544 18805 5918 1 19 . 1 1 40 40 GLU N N 40 121.231 121.231 119.825 1.406 18805 5919 1 19 . 1 1 40 40 GLU HA H 40 3.943 3.943 4.014 -0.071 18805 5920 1 19 . 1 1 40 40 GLU C C 40 179.598 179.598 179.059 0.539 18805 5921 1 19 . 1 1 40 40 GLU CA C 40 59.805 59.805 59.300 0.505 18805 5922 1 19 . 1 1 40 40 GLU CB C 40 29.508 29.508 28.877 0.631 18805 5923 1 19 . 1 1 40 40 GLU H H 40 8.672 8.672 7.869 0.803 18805 5924 1 19 . 1 1 41 41 GLN N N 41 118.662 118.662 118.344 0.318 18805 5925 1 19 . 1 1 41 41 GLN HA H 41 3.958 3.958 3.907 0.051 18805 5926 1 19 . 1 1 41 41 GLN C C 41 178.675 178.675 178.742 -0.067 18805 5927 1 19 . 1 1 41 41 GLN CA C 41 58.594 58.594 58.404 0.190 18805 5928 1 19 . 1 1 41 41 GLN CB C 41 28.396 28.396 28.464 -0.068 18805 5929 1 19 . 1 1 41 41 GLN H H 41 8.264 8.264 7.480 0.784 18805 5930 1 19 . 1 1 42 42 LEU N N 42 121.044 121.044 120.420 0.624 18805 5931 1 19 . 1 1 42 42 LEU HA H 42 4.009 4.009 4.040 -0.031 18805 5932 1 19 . 1 1 42 42 LEU C C 42 179.727 179.727 177.957 1.770 18805 5933 1 19 . 1 1 42 42 LEU CA C 42 57.600 57.600 57.222 0.378 18805 5934 1 19 . 1 1 42 42 LEU CB C 42 42.752 42.752 41.565 1.187 18805 5935 1 19 . 1 1 42 42 LEU H H 42 7.909 7.909 7.525 0.384 18805 5936 1 19 . 1 1 43 43 ALA N N 43 124.342 124.342 122.539 1.803 18805 5937 1 19 . 1 1 43 43 ALA HA H 43 3.697 3.697 4.164 -0.467 18805 5938 1 19 . 1 1 43 43 ALA C C 43 179.056 179.056 179.883 -0.827 18805 5939 1 19 . 1 1 43 43 ALA CA C 43 55.561 55.561 54.636 0.925 18805 5940 1 19 . 1 1 43 43 ALA CB C 43 17.186 17.186 18.638 -1.452 18805 5941 1 19 . 1 1 43 43 ALA H H 43 8.647 8.647 8.043 0.604 18805 5942 1 19 . 1 1 44 44 MET N N 44 115.878 115.878 116.358 -0.480 18805 5943 1 19 . 1 1 44 44 MET HA H 44 4.262 4.262 4.160 0.102 18805 5944 1 19 . 1 1 44 44 MET C C 44 179.154 179.154 178.744 0.410 18805 5945 1 19 . 1 1 44 44 MET CA C 44 58.569 58.569 57.392 1.177 18805 5946 1 19 . 1 1 44 44 MET CB C 44 32.138 32.138 31.511 0.627 18805 5947 1 19 . 1 1 44 44 MET H H 44 7.926 7.926 8.007 -0.081 18805 5948 1 19 . 1 1 45 45 ARG N N 45 116.503 116.503 117.705 -1.202 18805 5949 1 19 . 1 1 45 45 ARG HA H 45 4.402 4.402 4.099 0.303 18805 5950 1 19 . 1 1 45 45 ARG C C 45 177.591 177.591 179.181 -1.590 18805 5951 1 19 . 1 1 45 45 ARG CA C 45 58.315 58.315 59.459 -1.145 18805 5952 1 19 . 1 1 45 45 ARG CB C 45 30.909 30.909 30.427 0.482 18805 5953 1 19 . 1 1 45 45 ARG H H 45 7.903 7.903 7.613 0.290 18805 5954 1 19 . 1 1 46 46 THR N N 46 105.711 105.711 108.938 -3.227 18805 5955 1 19 . 1 1 46 46 THR HA H 46 4.501 4.501 4.306 0.195 18805 5956 1 19 . 1 1 46 46 THR C C 46 174.417 174.417 174.795 -0.378 18805 5957 1 19 . 1 1 46 46 THR CA C 46 61.808 61.808 63.362 -1.554 18805 5958 1 19 . 1 1 46 46 THR CB C 46 70.714 70.714 69.029 1.685 18805 5959 1 19 . 1 1 46 46 THR H H 46 7.662 7.662 7.953 -0.291 18805 5960 1 19 . 1 1 47 47 ASP N N 47 120.391 120.391 119.232 1.159 18805 5961 1 19 . 1 1 47 47 ASP HA H 47 4.472 4.472 4.368 0.104 18805 5962 1 19 . 1 1 47 47 ASP C C 47 174.537 174.537 175.649 -1.112 18805 5963 1 19 . 1 1 47 47 ASP CA C 47 55.933 55.933 55.630 0.303 18805 5964 1 19 . 1 1 47 47 ASP CB C 47 39.565 39.565 40.134 -0.569 18805 5965 1 19 . 1 1 47 47 ASP H H 47 7.922 7.922 7.741 0.181 18805 5966 1 19 . 1 1 48 48 LEU N N 48 118.406 118.406 117.441 0.965 18805 5967 1 19 . 1 1 48 48 LEU HA H 48 4.891 4.891 4.595 0.296 18805 5968 1 19 . 1 1 48 48 LEU C C 48 176.180 176.180 175.966 0.214 18805 5969 1 19 . 1 1 48 48 LEU CA C 48 52.943 52.943 54.538 -1.595 18805 5970 1 19 . 1 1 48 48 LEU CB C 48 46.638 46.638 43.777 2.861 18805 5971 1 19 . 1 1 48 48 LEU H H 48 8.072 8.072 7.854 0.218 18805 5972 1 19 . 1 1 49 49 THR N N 49 106.891 106.891 113.401 -6.510 18805 5973 1 19 . 1 1 49 49 THR HA H 49 4.597 4.597 4.588 0.009 18805 5974 1 19 . 1 1 49 49 THR C C 49 175.667 175.667 175.415 0.252 18805 5975 1 19 . 1 1 49 49 THR CA C 49 59.573 59.573 60.287 -0.714 18805 5976 1 19 . 1 1 49 49 THR CB C 49 71.085 71.085 70.746 0.339 18805 5977 1 19 . 1 1 49 49 THR H H 49 7.071 7.071 8.082 -1.011 18805 5978 1 19 . 1 1 50 50 GLU N N 50 124.013 124.013 122.560 1.453 18805 5979 1 19 . 1 1 50 50 GLU HA H 50 3.721 3.721 4.044 -0.323 18805 5980 1 19 . 1 1 50 50 GLU C C 50 178.112 178.112 178.854 -0.742 18805 5981 1 19 . 1 1 50 50 GLU CA C 50 60.982 60.982 60.308 0.674 18805 5982 1 19 . 1 1 50 50 GLU CB C 50 28.654 28.654 29.106 -0.452 18805 5983 1 19 . 1 1 50 50 GLU H H 50 9.271 9.271 8.951 0.320 18805 5984 1 19 . 1 1 51 51 ALA N N 51 119.708 119.708 120.800 -1.092 18805 5985 1 19 . 1 1 51 51 ALA HA H 51 4.108 4.108 4.204 -0.096 18805 5986 1 19 . 1 1 51 51 ALA C C 51 180.493 180.493 180.250 0.243 18805 5987 1 19 . 1 1 51 51 ALA CA C 51 55.200 55.200 55.042 0.158 18805 5988 1 19 . 1 1 51 51 ALA CB C 51 18.397 18.397 18.183 0.214 18805 5989 1 19 . 1 1 51 51 ALA H H 51 8.377 8.377 8.462 -0.085 18805 5990 1 19 . 1 1 52 52 ARG N N 52 117.740 117.740 119.038 -1.298 18805 5991 1 19 . 1 1 52 52 ARG HA H 52 4.213 4.213 4.294 -0.081 18805 5992 1 19 . 1 1 52 52 ARG C C 52 179.734 179.734 179.163 0.571 18805 5993 1 19 . 1 1 52 52 ARG CA C 52 59.006 59.006 58.824 0.182 18805 5994 1 19 . 1 1 52 52 ARG CB C 52 30.626 30.626 29.883 0.743 18805 5995 1 19 . 1 1 52 52 ARG H H 52 7.756 7.756 7.739 0.017 18805 5996 1 19 . 1 1 53 53 VAL N N 53 120.607 120.607 119.749 0.858 18805 5997 1 19 . 1 1 53 53 VAL HA H 53 3.706 3.706 3.834 -0.128 18805 5998 1 19 . 1 1 53 53 VAL C C 53 177.734 177.734 178.509 -0.775 18805 5999 1 19 . 1 1 53 53 VAL CA C 53 67.350 67.350 66.124 1.226 18805 6000 1 19 . 1 1 53 53 VAL CB C 53 31.900 31.900 30.903 0.997 18805 6001 1 19 . 1 1 53 53 VAL H H 53 8.206 8.206 7.897 0.309 18805 6002 1 19 . 1 1 54 54 GLN N N 54 119.441 119.441 119.682 -0.241 18805 6003 1 19 . 1 1 54 54 GLN HA H 54 4.401 4.401 4.146 0.255 18805 6004 1 19 . 1 1 54 54 GLN C C 54 179.055 179.055 179.052 0.003 18805 6005 1 19 . 1 1 54 54 GLN CA C 54 60.036 60.036 59.017 1.019 18805 6006 1 19 . 1 1 54 54 GLN CB C 54 28.509 28.509 28.539 -0.030 18805 6007 1 19 . 1 1 54 54 GLN H H 54 8.747 8.747 8.388 0.359 18805 6008 1 19 . 1 1 55 55 VAL N N 55 119.951 119.951 119.439 0.512 18805 6009 1 19 . 1 1 55 55 VAL HA H 55 3.783 3.783 3.789 -0.006 18805 6010 1 19 . 1 1 55 55 VAL C C 55 177.751 177.751 178.154 -0.403 18805 6011 1 19 . 1 1 55 55 VAL CA C 55 66.575 66.575 66.864 -0.289 18805 6012 1 19 . 1 1 55 55 VAL CB C 55 32.017 32.017 31.398 0.619 18805 6013 1 19 . 1 1 55 55 VAL H H 55 7.973 7.973 8.097 -0.124 18805 6014 1 19 . 1 1 56 56 TRP N N 56 121.386 121.386 121.894 -0.508 18805 6015 1 19 . 1 1 56 56 TRP HA H 56 4.075 4.075 4.196 -0.121 18805 6016 1 19 . 1 1 56 56 TRP C C 56 179.849 179.849 177.994 1.855 18805 6017 1 19 . 1 1 56 56 TRP CA C 56 63.249 63.249 61.984 1.265 18805 6018 1 19 . 1 1 56 56 TRP CB C 56 28.266 28.266 29.371 -1.105 18805 6019 1 19 . 1 1 56 56 TRP H H 56 8.351 8.351 7.781 0.570 18805 6020 1 19 . 1 1 57 57 PHE N N 57 118.444 118.444 117.496 0.948 18805 6021 1 19 . 1 1 57 57 PHE HA H 57 3.629 3.629 3.982 -0.353 18805 6022 1 19 . 1 1 57 57 PHE C C 57 178.058 178.058 178.326 -0.268 18805 6023 1 19 . 1 1 57 57 PHE CA C 57 63.831 63.831 62.317 1.514 18805 6024 1 19 . 1 1 57 57 PHE CB C 57 39.161 39.161 38.974 0.187 18805 6025 1 19 . 1 1 57 57 PHE H H 57 8.924 8.924 8.066 0.858 18805 6026 1 19 . 1 1 58 58 GLN N N 58 119.552 119.552 118.065 1.487 18805 6027 1 19 . 1 1 58 58 GLN HA H 58 3.958 3.958 4.000 -0.042 18805 6028 1 19 . 1 1 58 58 GLN C C 58 179.475 179.475 178.727 0.748 18805 6029 1 19 . 1 1 58 58 GLN CA C 58 59.730 59.730 59.006 0.724 18805 6030 1 19 . 1 1 58 58 GLN CB C 58 28.108 28.108 28.182 -0.074 18805 6031 1 19 . 1 1 58 58 GLN H H 58 8.322 8.322 8.616 -0.294 18805 6032 1 19 . 1 1 59 59 ASN N N 59 119.095 119.095 118.362 0.733 18805 6033 1 19 . 1 1 59 59 ASN HA H 59 4.344 4.344 4.423 -0.079 18805 6034 1 19 . 1 1 59 59 ASN C C 59 177.212 177.212 177.870 -0.658 18805 6035 1 19 . 1 1 59 59 ASN CA C 59 55.536 55.536 55.927 -0.391 18805 6036 1 19 . 1 1 59 59 ASN CB C 59 37.920 37.920 38.377 -0.457 18805 6037 1 19 . 1 1 59 59 ASN H H 59 8.158 8.158 8.103 0.055 18805 6038 1 19 . 1 1 60 60 ARG N N 60 124.480 124.480 119.476 5.004 18805 6039 1 19 . 1 1 60 60 ARG HA H 60 3.383 3.383 3.902 -0.519 18805 6040 1 19 . 1 1 60 60 ARG C C 60 179.622 179.622 179.083 0.539 18805 6041 1 19 . 1 1 60 60 ARG CA C 60 56.532 56.532 57.870 -1.338 18805 6042 1 19 . 1 1 60 60 ARG CB C 60 27.904 27.904 29.137 -1.233 18805 6043 1 19 . 1 1 60 60 ARG H H 60 8.494 8.494 7.891 0.603 18805 6044 1 19 . 1 1 61 61 ARG N N 61 118.870 118.870 118.614 0.256 18805 6045 1 19 . 1 1 61 61 ARG HA H 61 3.946 3.946 4.434 -0.488 18805 6046 1 19 . 1 1 61 61 ARG C C 61 178.392 178.392 178.127 0.265 18805 6047 1 19 . 1 1 61 61 ARG CA C 61 60.599 60.599 58.854 1.745 18805 6048 1 19 . 1 1 61 61 ARG CB C 61 31.546 31.546 30.208 1.338 18805 6049 1 19 . 1 1 61 61 ARG H H 61 8.310 8.310 8.091 0.219 18805 6050 1 19 . 1 1 62 62 ALA N N 62 121.373 121.373 122.573 -1.200 18805 6051 1 19 . 1 1 62 62 ALA HA H 62 4.163 4.163 4.262 -0.099 18805 6052 1 19 . 1 1 62 62 ALA C C 62 179.899 179.899 179.491 0.408 18805 6053 1 19 . 1 1 62 62 ALA CA C 62 55.109 55.109 54.879 0.230 18805 6054 1 19 . 1 1 62 62 ALA CB C 62 17.754 17.754 18.373 -0.619 18805 6055 1 19 . 1 1 62 62 ALA H H 62 7.382 7.382 7.888 -0.506 18805 6056 1 19 . 1 1 63 63 LYS N N 63 118.540 118.540 119.319 -0.779 18805 6057 1 19 . 1 1 63 63 LYS HA H 63 3.986 3.986 4.105 -0.119 18805 6058 1 19 . 1 1 63 63 LYS C C 63 178.259 178.259 178.954 -0.695 18805 6059 1 19 . 1 1 63 63 LYS CA C 63 58.727 58.727 58.660 0.068 18805 6060 1 19 . 1 1 63 63 LYS CB C 63 32.634 32.634 32.427 0.207 18805 6061 1 19 . 1 1 63 63 LYS H H 63 7.573 7.573 7.703 -0.130 18805 6062 1 19 . 1 1 64 64 TRP N N 64 121.094 121.094 120.731 0.363 18805 6063 1 19 . 1 1 64 64 TRP HA H 64 4.436 4.436 4.501 -0.065 18805 6064 1 19 . 1 1 64 64 TRP C C 64 177.662 177.662 177.602 0.060 18805 6065 1 19 . 1 1 64 64 TRP CA C 64 60.130 60.130 60.870 -0.740 18805 6066 1 19 . 1 1 64 64 TRP CB C 64 29.138 29.138 29.741 -0.602 18805 6067 1 19 . 1 1 64 64 TRP H H 64 8.032 8.032 8.012 0.020 18805 6068 1 19 . 1 1 65 65 ARG N N 65 118.674 118.674 117.737 0.937 18805 6069 1 19 . 1 1 65 65 ARG HA H 65 3.783 3.783 3.992 -0.209 18805 6070 1 19 . 1 1 65 65 ARG C C 65 177.342 177.342 175.527 1.815 18805 6071 1 19 . 1 1 65 65 ARG CA C 65 58.290 58.290 56.797 1.493 18805 6072 1 19 . 1 1 65 65 ARG CB C 65 30.580 30.580 30.653 -0.073 18805 6073 1 19 . 1 1 65 65 ARG H H 65 8.232 8.232 7.565 0.667 18805 6074 1 19 . 1 1 66 66 LYS N N 66 118.567 118.567 117.472 1.095 18805 6075 1 19 . 1 1 66 66 LYS HA H 66 4.122 4.122 3.873 0.249 18805 6076 1 19 . 1 1 66 66 LYS C C 66 177.060 177.060 175.398 1.662 18805 6077 1 19 . 1 1 66 66 LYS CA C 66 57.389 57.389 56.620 0.769 18805 6078 1 19 . 1 1 66 66 LYS CB C 66 32.659 32.659 30.680 1.979 18805 6079 1 19 . 1 1 66 66 LYS H H 66 7.591 7.591 7.490 0.101 18805 6080 1 19 . 1 1 67 67 ARG N N 67 119.185 119.185 124.460 -5.275 18805 6081 1 19 . 1 1 67 67 ARG HA H 67 4.183 4.183 4.226 -0.043 18805 6082 1 19 . 1 1 67 67 ARG C C 67 176.830 176.830 176.222 0.608 18805 6083 1 19 . 1 1 67 67 ARG CA C 67 56.879 56.879 56.647 0.232 18805 6084 1 19 . 1 1 67 67 ARG CB C 67 30.226 30.226 31.002 -0.776 18805 6085 1 19 . 1 1 67 67 ARG H H 67 7.722 7.722 8.580 -0.858 18805 6086 1 19 . 1 1 68 68 GLU N N 68 120.614 120.614 118.508 2.106 18805 6087 1 19 . 1 1 68 68 GLU HA H 68 4.087 4.087 3.790 0.297 18805 6088 1 19 . 1 1 68 68 GLU C C 68 176.803 176.803 176.291 0.512 18805 6089 1 19 . 1 1 68 68 GLU CA C 68 57.076 57.076 57.070 0.006 18805 6090 1 19 . 1 1 68 68 GLU CB C 68 30.099 30.099 27.484 2.615 18805 6091 1 19 . 1 1 68 68 GLU H H 68 8.157 8.157 8.678 -0.521 18805 6092 1 19 . 1 1 69 69 ARG N N 69 120.012 120.012 118.622 1.390 18805 6093 1 19 . 1 1 69 69 ARG C C 69 176.270 176.270 176.796 -0.526 18805 6094 1 19 . 1 1 69 69 ARG CA C 69 66.543 66.543 58.040 8.503 18805 6095 1 19 . 1 1 69 69 ARG CB C 69 32.203 32.203 30.634 1.569 18805 6096 1 19 . 1 1 69 69 ARG H H 69 7.974 7.974 8.645 -0.671 18805 6097 1 19 . 1 1 70 70 PHE HA H 70 4.577 4.577 4.586 -0.009 18805 6098 1 19 . 1 1 70 70 PHE CA C 70 58.021 58.021 57.156 0.866 18805 6099 1 19 . 1 1 70 70 PHE CB C 70 39.295 39.295 39.386 -0.091 18805 6100 1 20 . 1 1 16 16 PHE HA H 16 5.000 5.000 4.347 0.653 18805 6101 1 20 . 1 1 16 16 PHE C C 16 176.744 176.744 176.084 0.660 18805 6102 1 20 . 1 1 16 16 PHE CA C 16 57.425 57.425 58.575 -1.150 18805 6103 1 20 . 1 1 16 16 PHE CB C 16 41.475 41.475 38.337 3.138 18805 6104 1 20 . 1 1 16 16 PHE H H 16 9.114 9.114 7.525 1.589 18805 6105 1 20 . 1 1 17 17 THR N N 17 113.394 113.394 111.626 1.768 18805 6106 1 20 . 1 1 17 17 THR HA H 17 4.552 4.552 4.728 -0.176 18805 6107 1 20 . 1 1 17 17 THR C C 17 175.352 175.352 175.415 -0.063 18805 6108 1 20 . 1 1 17 17 THR CA C 17 60.392 60.392 60.498 -0.106 18805 6109 1 20 . 1 1 17 17 THR CB C 17 71.013 71.013 71.697 -0.684 18805 6110 1 20 . 1 1 17 17 THR H H 17 9.106 9.106 8.667 0.439 18805 6111 1 20 . 1 1 18 18 SER HA H 18 4.146 4.146 4.261 -0.115 18805 6112 1 20 . 1 1 18 18 SER C C 18 176.860 176.860 176.084 0.776 18805 6113 1 20 . 1 1 18 18 SER CA C 18 62.173 62.173 62.162 0.011 18805 6114 1 20 . 1 1 18 18 SER CB C 18 62.172 62.172 62.715 -0.543 18805 6115 1 20 . 1 1 19 19 TYR N N 19 121.561 121.561 122.888 -1.327 18805 6116 1 20 . 1 1 19 19 TYR HA H 19 4.340 4.340 4.330 0.010 18805 6117 1 20 . 1 1 19 19 TYR C C 19 176.860 176.860 177.045 -0.185 18805 6118 1 20 . 1 1 19 19 TYR CA C 19 60.736 60.736 61.349 -0.613 18805 6119 1 20 . 1 1 19 19 TYR CB C 19 38.557 38.557 38.325 0.232 18805 6120 1 20 . 1 1 19 19 TYR H H 19 8.145 8.145 7.725 0.420 18805 6121 1 20 . 1 1 20 20 GLN N N 20 116.967 116.967 118.073 -1.106 18805 6122 1 20 . 1 1 20 20 GLN HA H 20 3.359 3.359 3.713 -0.354 18805 6123 1 20 . 1 1 20 20 GLN C C 20 177.344 177.344 178.168 -0.824 18805 6124 1 20 . 1 1 20 20 GLN CA C 20 59.633 59.633 59.044 0.589 18805 6125 1 20 . 1 1 20 20 GLN CB C 20 27.866 27.866 28.835 -0.969 18805 6126 1 20 . 1 1 20 20 GLN H H 20 7.545 7.545 7.979 -0.434 18805 6127 1 20 . 1 1 21 21 LEU N N 21 115.751 115.751 119.282 -3.531 18805 6128 1 20 . 1 1 21 21 LEU HA H 21 3.532 3.532 3.516 0.016 18805 6129 1 20 . 1 1 21 21 LEU C C 21 178.858 178.858 178.532 0.326 18805 6130 1 20 . 1 1 21 21 LEU CA C 21 57.774 57.774 57.601 0.173 18805 6131 1 20 . 1 1 21 21 LEU CB C 21 41.660 41.660 41.700 -0.040 18805 6132 1 20 . 1 1 21 21 LEU H H 21 8.116 8.116 8.147 -0.031 18805 6133 1 20 . 1 1 22 22 GLU N N 22 118.939 118.939 118.763 0.176 18805 6134 1 20 . 1 1 22 22 GLU HA H 22 3.876 3.876 3.891 -0.015 18805 6135 1 20 . 1 1 22 22 GLU C C 22 179.617 179.617 179.098 0.519 18805 6136 1 20 . 1 1 22 22 GLU CA C 22 59.244 59.244 59.239 0.005 18805 6137 1 20 . 1 1 22 22 GLU CB C 22 29.454 29.454 28.919 0.535 18805 6138 1 20 . 1 1 22 22 GLU H H 22 8.108 8.108 7.972 0.136 18805 6139 1 20 . 1 1 23 23 GLU N N 23 117.643 117.643 119.786 -2.143 18805 6140 1 20 . 1 1 23 23 GLU HA H 23 3.699 3.699 3.939 -0.240 18805 6141 1 20 . 1 1 23 23 GLU C C 23 179.328 179.328 178.942 0.386 18805 6142 1 20 . 1 1 23 23 GLU CA C 23 58.616 58.616 58.862 -0.246 18805 6143 1 20 . 1 1 23 23 GLU CB C 23 29.191 29.191 29.295 -0.104 18805 6144 1 20 . 1 1 23 23 GLU H H 23 7.631 7.631 7.556 0.075 18805 6145 1 20 . 1 1 24 24 LEU N N 24 122.218 122.218 119.841 2.377 18805 6146 1 20 . 1 1 24 24 LEU HA H 24 3.490 3.490 3.673 -0.183 18805 6147 1 20 . 1 1 24 24 LEU C C 24 177.731 177.731 178.973 -1.242 18805 6148 1 20 . 1 1 24 24 LEU CA C 24 58.732 58.732 57.416 1.316 18805 6149 1 20 . 1 1 24 24 LEU CB C 24 38.207 38.207 40.419 -2.212 18805 6150 1 20 . 1 1 24 24 LEU H H 24 7.995 7.995 7.497 0.498 18805 6151 1 20 . 1 1 25 25 GLU N N 25 118.406 118.406 118.648 -0.242 18805 6152 1 20 . 1 1 25 25 GLU HA H 25 4.278 4.278 4.177 0.101 18805 6153 1 20 . 1 1 25 25 GLU C C 25 179.059 179.059 178.837 0.222 18805 6154 1 20 . 1 1 25 25 GLU CA C 25 58.612 58.612 59.567 -0.955 18805 6155 1 20 . 1 1 25 25 GLU CB C 25 28.957 28.957 29.071 -0.114 18805 6156 1 20 . 1 1 25 25 GLU H H 25 7.833 7.833 7.890 -0.057 18805 6157 1 20 . 1 1 26 26 LYS N N 26 118.033 118.033 120.116 -2.083 18805 6158 1 20 . 1 1 26 26 LYS HA H 26 3.978 3.978 4.053 -0.075 18805 6159 1 20 . 1 1 26 26 LYS C C 26 180.388 180.388 179.451 0.937 18805 6160 1 20 . 1 1 26 26 LYS CA C 26 59.919 59.919 59.309 0.610 18805 6161 1 20 . 1 1 26 26 LYS CB C 26 32.821 32.821 32.367 0.453 18805 6162 1 20 . 1 1 26 26 LYS H H 26 7.795 7.795 7.629 0.166 18805 6163 1 20 . 1 1 27 27 VAL N N 27 118.207 118.207 118.911 -0.704 18805 6164 1 20 . 1 1 27 27 VAL HA H 27 3.853 3.853 3.724 0.129 18805 6165 1 20 . 1 1 27 27 VAL C C 27 177.057 177.057 177.719 -0.662 18805 6166 1 20 . 1 1 27 27 VAL CA C 27 66.944 66.944 66.129 0.815 18805 6167 1 20 . 1 1 27 27 VAL CB C 27 31.034 31.034 32.033 -0.999 18805 6168 1 20 . 1 1 27 27 VAL H H 27 7.316 7.316 7.781 -0.465 18805 6169 1 20 . 1 1 28 28 PHE N N 28 122.791 122.791 120.646 2.145 18805 6170 1 20 . 1 1 28 28 PHE HA H 28 4.744 4.744 4.850 -0.106 18805 6171 1 20 . 1 1 28 28 PHE C C 28 175.721 175.721 177.269 -1.548 18805 6172 1 20 . 1 1 28 28 PHE CA C 28 61.452 61.452 60.959 0.493 18805 6173 1 20 . 1 1 28 28 PHE CB C 28 38.872 38.872 39.643 -0.771 18805 6174 1 20 . 1 1 28 28 PHE H H 28 8.540 8.540 8.175 0.365 18805 6175 1 20 . 1 1 29 29 GLN N N 29 112.048 112.048 116.577 -4.529 18805 6176 1 20 . 1 1 29 29 GLN HA H 29 3.843 3.843 4.223 -0.380 18805 6177 1 20 . 1 1 29 29 GLN C C 29 177.467 177.467 177.303 0.164 18805 6178 1 20 . 1 1 29 29 GLN CA C 29 57.595 57.595 57.647 -0.052 18805 6179 1 20 . 1 1 29 29 GLN CB C 29 28.204 28.204 28.657 -0.453 18805 6180 1 20 . 1 1 29 29 GLN H H 29 8.129 8.129 8.331 -0.202 18805 6181 1 20 . 1 1 30 30 LYS N N 30 118.854 118.854 117.996 0.858 18805 6182 1 20 . 1 1 30 30 LYS HA H 30 4.260 4.260 4.268 -0.008 18805 6183 1 20 . 1 1 30 30 LYS C C 30 176.920 176.920 177.053 -0.133 18805 6184 1 20 . 1 1 30 30 LYS CA C 30 57.449 57.449 57.158 0.291 18805 6185 1 20 . 1 1 30 30 LYS CB C 30 33.450 33.450 33.675 -0.225 18805 6186 1 20 . 1 1 30 30 LYS H H 30 7.599 7.599 7.684 -0.085 18805 6187 1 20 . 1 1 31 31 THR N N 31 115.210 115.210 113.063 2.147 18805 6188 1 20 . 1 1 31 31 THR HA H 31 4.279 4.279 4.303 -0.024 18805 6189 1 20 . 1 1 31 31 THR C C 31 171.092 171.092 173.805 -2.713 18805 6190 1 20 . 1 1 31 31 THR CA C 31 59.113 59.113 60.435 -1.322 18805 6191 1 20 . 1 1 31 31 THR CB C 31 69.375 69.375 70.151 -0.776 18805 6192 1 20 . 1 1 31 31 THR H H 31 8.840 8.840 8.060 0.780 18805 6193 1 20 . 1 1 32 32 HIS N N 32 123.048 123.048 125.765 -2.717 18805 6194 1 20 . 1 1 32 32 HIS HA H 32 4.343 4.343 4.194 0.149 18805 6195 1 20 . 1 1 32 32 HIS C C 32 174.598 174.598 174.954 -0.356 18805 6196 1 20 . 1 1 32 32 HIS CA C 32 55.323 55.323 55.986 -0.663 18805 6197 1 20 . 1 1 32 32 HIS CB C 32 30.975 30.975 29.603 1.372 18805 6198 1 20 . 1 1 32 32 HIS H H 32 8.342 8.342 8.548 -0.206 18805 6199 1 20 . 1 1 33 33 TYR N N 33 114.650 114.650 120.766 -6.116 18805 6200 1 20 . 1 1 33 33 TYR HA H 33 4.703 4.703 4.695 0.008 18805 6201 1 20 . 1 1 33 33 TYR C C 33 172.558 172.558 173.425 -0.867 18805 6202 1 20 . 1 1 33 33 TYR CA C 33 55.146 55.146 54.701 0.445 18805 6203 1 20 . 1 1 33 33 TYR CB C 33 38.868 38.868 39.205 -0.337 18805 6204 1 20 . 1 1 33 33 TYR H H 33 8.109 8.109 7.681 0.428 18805 6205 1 20 . 1 1 34 34 PRO HA H 34 4.273 4.273 4.415 -0.142 18805 6206 1 20 . 1 1 34 34 PRO C C 34 177.097 177.097 176.427 0.670 18805 6207 1 20 . 1 1 34 34 PRO CA C 34 62.413 62.413 62.531 -0.118 18805 6208 1 20 . 1 1 34 34 PRO CB C 34 30.790 30.790 31.763 -0.973 18805 6209 1 20 . 1 1 35 35 ASP N N 35 124.197 124.197 125.871 -1.674 18805 6210 1 20 . 1 1 35 35 ASP HA H 35 4.447 4.447 4.494 -0.047 18805 6211 1 20 . 1 1 35 35 ASP C C 35 175.603 175.603 177.457 -1.854 18805 6212 1 20 . 1 1 35 35 ASP CA C 35 52.685 52.685 54.608 -1.923 18805 6213 1 20 . 1 1 35 35 ASP CB C 35 40.952 40.952 41.550 -0.598 18805 6214 1 20 . 1 1 35 35 ASP H H 35 8.547 8.547 8.529 0.018 18805 6215 1 20 . 1 1 36 36 VAL N N 36 118.006 118.006 122.214 -4.208 18805 6216 1 20 . 1 1 36 36 VAL HA H 36 3.473 3.473 3.793 -0.320 18805 6217 1 20 . 1 1 36 36 VAL C C 36 176.268 176.268 177.118 -0.850 18805 6218 1 20 . 1 1 36 36 VAL CA C 36 66.404 66.404 66.040 0.365 18805 6219 1 20 . 1 1 36 36 VAL CB C 36 31.419 31.419 32.042 -0.623 18805 6220 1 20 . 1 1 36 36 VAL H H 36 8.281 8.281 8.471 -0.190 18805 6221 1 20 . 1 1 37 37 TYR N N 37 121.225 121.225 121.199 0.026 18805 6222 1 20 . 1 1 37 37 TYR HA H 37 4.305 4.305 4.271 0.034 18805 6223 1 20 . 1 1 37 37 TYR C C 37 178.136 178.136 177.023 1.113 18805 6224 1 20 . 1 1 37 37 TYR CA C 37 60.808 60.808 61.714 -0.906 18805 6225 1 20 . 1 1 37 37 TYR CB C 37 37.392 37.392 37.617 -0.225 18805 6226 1 20 . 1 1 37 37 TYR H H 37 7.423 7.423 8.246 -0.823 18805 6227 1 20 . 1 1 38 38 ALA N N 38 122.550 122.550 120.837 1.713 18805 6228 1 20 . 1 1 38 38 ALA HA H 38 4.071 4.071 4.168 -0.097 18805 6229 1 20 . 1 1 38 38 ALA C C 38 182.258 182.258 179.842 2.416 18805 6230 1 20 . 1 1 38 38 ALA CA C 38 54.885 54.885 54.801 0.083 18805 6231 1 20 . 1 1 38 38 ALA CB C 38 18.336 18.336 18.012 0.324 18805 6232 1 20 . 1 1 38 38 ALA H H 38 8.376 8.376 8.452 -0.076 18805 6233 1 20 . 1 1 39 39 ARG N N 39 117.400 117.400 118.382 -0.982 18805 6234 1 20 . 1 1 39 39 ARG HA H 39 3.834 3.834 4.069 -0.235 18805 6235 1 20 . 1 1 39 39 ARG C C 39 178.142 178.142 178.895 -0.753 18805 6236 1 20 . 1 1 39 39 ARG CA C 39 60.991 60.991 59.364 1.627 18805 6237 1 20 . 1 1 39 39 ARG CB C 39 31.335 31.335 30.049 1.286 18805 6238 1 20 . 1 1 39 39 ARG H H 39 8.699 8.699 8.054 0.645 18805 6239 1 20 . 1 1 40 40 GLU N N 40 121.231 121.231 120.175 1.056 18805 6240 1 20 . 1 1 40 40 GLU HA H 40 3.943 3.943 3.965 -0.022 18805 6241 1 20 . 1 1 40 40 GLU C C 40 179.598 179.598 179.201 0.397 18805 6242 1 20 . 1 1 40 40 GLU CA C 40 59.805 59.805 59.290 0.515 18805 6243 1 20 . 1 1 40 40 GLU CB C 40 29.508 29.508 28.746 0.762 18805 6244 1 20 . 1 1 40 40 GLU H H 40 8.672 8.672 7.760 0.912 18805 6245 1 20 . 1 1 41 41 GLN N N 41 118.662 118.662 117.876 0.786 18805 6246 1 20 . 1 1 41 41 GLN HA H 41 3.958 3.958 4.063 -0.105 18805 6247 1 20 . 1 1 41 41 GLN C C 41 178.675 178.675 178.622 0.053 18805 6248 1 20 . 1 1 41 41 GLN CA C 41 58.594 58.594 58.103 0.491 18805 6249 1 20 . 1 1 41 41 GLN CB C 41 28.396 28.396 28.435 -0.039 18805 6250 1 20 . 1 1 41 41 GLN H H 41 8.264 8.264 7.396 0.868 18805 6251 1 20 . 1 1 42 42 LEU N N 42 121.044 121.044 121.277 -0.233 18805 6252 1 20 . 1 1 42 42 LEU HA H 42 4.009 4.009 4.013 -0.004 18805 6253 1 20 . 1 1 42 42 LEU C C 42 179.727 179.727 178.394 1.333 18805 6254 1 20 . 1 1 42 42 LEU CA C 42 57.600 57.600 57.772 -0.172 18805 6255 1 20 . 1 1 42 42 LEU CB C 42 42.752 42.752 41.459 1.293 18805 6256 1 20 . 1 1 42 42 LEU H H 42 7.909 7.909 8.081 -0.172 18805 6257 1 20 . 1 1 43 43 ALA N N 43 124.342 124.342 121.476 2.866 18805 6258 1 20 . 1 1 43 43 ALA HA H 43 3.697 3.697 4.109 -0.412 18805 6259 1 20 . 1 1 43 43 ALA C C 43 179.056 179.056 179.836 -0.780 18805 6260 1 20 . 1 1 43 43 ALA CA C 43 55.561 55.561 54.746 0.815 18805 6261 1 20 . 1 1 43 43 ALA CB C 43 17.186 17.186 18.715 -1.529 18805 6262 1 20 . 1 1 43 43 ALA H H 43 8.647 8.647 7.964 0.683 18805 6263 1 20 . 1 1 44 44 MET N N 44 115.878 115.878 116.257 -0.379 18805 6264 1 20 . 1 1 44 44 MET HA H 44 4.262 4.262 4.153 0.109 18805 6265 1 20 . 1 1 44 44 MET C C 44 179.154 179.154 178.711 0.443 18805 6266 1 20 . 1 1 44 44 MET CA C 44 58.569 58.569 58.778 -0.209 18805 6267 1 20 . 1 1 44 44 MET CB C 44 32.138 32.138 32.722 -0.584 18805 6268 1 20 . 1 1 44 44 MET H H 44 7.926 7.926 7.585 0.341 18805 6269 1 20 . 1 1 45 45 ARG N N 45 116.503 116.503 118.162 -1.659 18805 6270 1 20 . 1 1 45 45 ARG HA H 45 4.402 4.402 4.178 0.224 18805 6271 1 20 . 1 1 45 45 ARG C C 45 177.591 177.591 178.643 -1.052 18805 6272 1 20 . 1 1 45 45 ARG CA C 45 58.315 58.315 58.732 -0.417 18805 6273 1 20 . 1 1 45 45 ARG CB C 45 30.909 30.909 30.536 0.373 18805 6274 1 20 . 1 1 45 45 ARG H H 45 7.903 7.903 8.052 -0.149 18805 6275 1 20 . 1 1 46 46 THR N N 46 105.711 105.711 108.971 -3.260 18805 6276 1 20 . 1 1 46 46 THR HA H 46 4.501 4.501 4.531 -0.030 18805 6277 1 20 . 1 1 46 46 THR C C 46 174.417 174.417 174.387 0.030 18805 6278 1 20 . 1 1 46 46 THR CA C 46 61.808 61.808 63.210 -1.402 18805 6279 1 20 . 1 1 46 46 THR CB C 46 70.714 70.714 69.528 1.185 18805 6280 1 20 . 1 1 46 46 THR H H 46 7.662 7.662 7.995 -0.333 18805 6281 1 20 . 1 1 47 47 ASP N N 47 120.391 120.391 118.919 1.472 18805 6282 1 20 . 1 1 47 47 ASP HA H 47 4.472 4.472 4.311 0.161 18805 6283 1 20 . 1 1 47 47 ASP C C 47 174.537 174.537 175.120 -0.583 18805 6284 1 20 . 1 1 47 47 ASP CA C 47 55.933 55.933 55.542 0.391 18805 6285 1 20 . 1 1 47 47 ASP CB C 47 39.565 39.565 39.140 0.425 18805 6286 1 20 . 1 1 47 47 ASP H H 47 7.922 7.922 7.758 0.164 18805 6287 1 20 . 1 1 48 48 LEU N N 48 118.406 118.406 119.059 -0.653 18805 6288 1 20 . 1 1 48 48 LEU HA H 48 4.891 4.891 4.569 0.322 18805 6289 1 20 . 1 1 48 48 LEU C C 48 176.180 176.180 177.015 -0.835 18805 6290 1 20 . 1 1 48 48 LEU CA C 48 52.943 52.943 54.196 -1.253 18805 6291 1 20 . 1 1 48 48 LEU CB C 48 46.638 46.638 43.438 3.200 18805 6292 1 20 . 1 1 48 48 LEU H H 48 8.072 8.072 7.718 0.354 18805 6293 1 20 . 1 1 49 49 THR N N 49 106.891 106.891 115.934 -9.043 18805 6294 1 20 . 1 1 49 49 THR HA H 49 4.597 4.597 4.419 0.178 18805 6295 1 20 . 1 1 49 49 THR C C 49 175.667 175.667 175.722 -0.055 18805 6296 1 20 . 1 1 49 49 THR CA C 49 59.573 59.573 61.856 -2.283 18805 6297 1 20 . 1 1 49 49 THR CB C 49 71.085 71.085 69.797 1.288 18805 6298 1 20 . 1 1 49 49 THR H H 49 7.071 7.071 8.307 -1.236 18805 6299 1 20 . 1 1 50 50 GLU N N 50 124.013 124.013 126.069 -2.056 18805 6300 1 20 . 1 1 50 50 GLU HA H 50 3.721 3.721 3.916 -0.195 18805 6301 1 20 . 1 1 50 50 GLU C C 50 178.112 178.112 178.784 -0.672 18805 6302 1 20 . 1 1 50 50 GLU CA C 50 60.982 60.982 60.240 0.741 18805 6303 1 20 . 1 1 50 50 GLU CB C 50 28.654 28.654 29.424 -0.770 18805 6304 1 20 . 1 1 50 50 GLU H H 50 9.271 9.271 9.095 0.176 18805 6305 1 20 . 1 1 51 51 ALA N N 51 119.708 119.708 122.006 -2.298 18805 6306 1 20 . 1 1 51 51 ALA HA H 51 4.108 4.108 4.194 -0.086 18805 6307 1 20 . 1 1 51 51 ALA C C 51 180.493 180.493 179.577 0.916 18805 6308 1 20 . 1 1 51 51 ALA CA C 51 55.200 55.200 55.074 0.126 18805 6309 1 20 . 1 1 51 51 ALA CB C 51 18.397 18.397 18.172 0.225 18805 6310 1 20 . 1 1 51 51 ALA H H 51 8.377 8.377 8.334 0.043 18805 6311 1 20 . 1 1 52 52 ARG N N 52 117.740 117.740 118.438 -0.698 18805 6312 1 20 . 1 1 52 52 ARG HA H 52 4.213 4.213 4.172 0.041 18805 6313 1 20 . 1 1 52 52 ARG C C 52 179.734 179.734 178.759 0.975 18805 6314 1 20 . 1 1 52 52 ARG CA C 52 59.006 59.006 59.192 -0.186 18805 6315 1 20 . 1 1 52 52 ARG CB C 52 30.626 30.626 30.082 0.544 18805 6316 1 20 . 1 1 52 52 ARG H H 52 7.756 7.756 7.828 -0.072 18805 6317 1 20 . 1 1 53 53 VAL N N 53 120.607 120.607 120.151 0.456 18805 6318 1 20 . 1 1 53 53 VAL HA H 53 3.706 3.706 3.766 -0.060 18805 6319 1 20 . 1 1 53 53 VAL C C 53 177.734 177.734 178.317 -0.583 18805 6320 1 20 . 1 1 53 53 VAL CA C 53 67.350 67.350 66.470 0.880 18805 6321 1 20 . 1 1 53 53 VAL CB C 53 31.900 31.900 31.289 0.611 18805 6322 1 20 . 1 1 53 53 VAL H H 53 8.206 8.206 8.180 0.026 18805 6323 1 20 . 1 1 54 54 GLN N N 54 119.441 119.441 119.199 0.242 18805 6324 1 20 . 1 1 54 54 GLN HA H 54 4.401 4.401 4.188 0.213 18805 6325 1 20 . 1 1 54 54 GLN C C 54 179.055 179.055 179.036 0.019 18805 6326 1 20 . 1 1 54 54 GLN CA C 54 60.036 60.036 59.220 0.816 18805 6327 1 20 . 1 1 54 54 GLN CB C 54 28.509 28.509 28.697 -0.188 18805 6328 1 20 . 1 1 54 54 GLN H H 54 8.747 8.747 7.789 0.958 18805 6329 1 20 . 1 1 55 55 VAL N N 55 119.951 119.951 119.879 0.072 18805 6330 1 20 . 1 1 55 55 VAL HA H 55 3.783 3.783 4.050 -0.267 18805 6331 1 20 . 1 1 55 55 VAL C C 55 177.751 177.751 178.079 -0.328 18805 6332 1 20 . 1 1 55 55 VAL CA C 55 66.575 66.575 66.897 -0.322 18805 6333 1 20 . 1 1 55 55 VAL CB C 55 32.017 32.017 31.509 0.508 18805 6334 1 20 . 1 1 55 55 VAL H H 55 7.973 7.973 8.022 -0.049 18805 6335 1 20 . 1 1 56 56 TRP N N 56 121.386 121.386 122.512 -1.126 18805 6336 1 20 . 1 1 56 56 TRP HA H 56 4.075 4.075 4.223 -0.148 18805 6337 1 20 . 1 1 56 56 TRP C C 56 179.849 179.849 178.015 1.834 18805 6338 1 20 . 1 1 56 56 TRP CA C 56 63.249 63.249 61.593 1.656 18805 6339 1 20 . 1 1 56 56 TRP CB C 56 28.266 28.266 29.256 -0.990 18805 6340 1 20 . 1 1 56 56 TRP H H 56 8.351 8.351 7.795 0.556 18805 6341 1 20 . 1 1 57 57 PHE N N 57 118.444 118.444 116.853 1.591 18805 6342 1 20 . 1 1 57 57 PHE HA H 57 3.629 3.629 3.922 -0.293 18805 6343 1 20 . 1 1 57 57 PHE C C 57 178.058 178.058 178.225 -0.167 18805 6344 1 20 . 1 1 57 57 PHE CA C 57 63.831 63.831 62.258 1.573 18805 6345 1 20 . 1 1 57 57 PHE CB C 57 39.161 39.161 38.739 0.423 18805 6346 1 20 . 1 1 57 57 PHE H H 57 8.924 8.924 8.055 0.869 18805 6347 1 20 . 1 1 58 58 GLN N N 58 119.552 119.552 118.927 0.625 18805 6348 1 20 . 1 1 58 58 GLN HA H 58 3.958 3.958 4.018 -0.060 18805 6349 1 20 . 1 1 58 58 GLN C C 58 179.475 179.475 178.612 0.863 18805 6350 1 20 . 1 1 58 58 GLN CA C 58 59.730 59.730 59.199 0.531 18805 6351 1 20 . 1 1 58 58 GLN CB C 58 28.108 28.108 28.553 -0.445 18805 6352 1 20 . 1 1 58 58 GLN H H 58 8.322 8.322 8.216 0.106 18805 6353 1 20 . 1 1 59 59 ASN N N 59 119.095 119.095 118.298 0.797 18805 6354 1 20 . 1 1 59 59 ASN HA H 59 4.344 4.344 4.415 -0.071 18805 6355 1 20 . 1 1 59 59 ASN C C 59 177.212 177.212 177.497 -0.285 18805 6356 1 20 . 1 1 59 59 ASN CA C 59 55.536 55.536 55.977 -0.441 18805 6357 1 20 . 1 1 59 59 ASN CB C 59 37.920 37.920 38.346 -0.426 18805 6358 1 20 . 1 1 59 59 ASN H H 59 8.158 8.158 8.005 0.153 18805 6359 1 20 . 1 1 60 60 ARG N N 60 124.480 124.480 120.975 3.505 18805 6360 1 20 . 1 1 60 60 ARG HA H 60 3.383 3.383 3.554 -0.171 18805 6361 1 20 . 1 1 60 60 ARG C C 60 179.622 179.622 178.229 1.393 18805 6362 1 20 . 1 1 60 60 ARG CA C 60 56.532 56.532 57.947 -1.415 18805 6363 1 20 . 1 1 60 60 ARG CB C 60 27.904 27.904 28.983 -1.079 18805 6364 1 20 . 1 1 60 60 ARG H H 60 8.494 8.494 8.082 0.412 18805 6365 1 20 . 1 1 61 61 ARG N N 61 118.870 118.870 118.884 -0.014 18805 6366 1 20 . 1 1 61 61 ARG HA H 61 3.946 3.946 4.198 -0.252 18805 6367 1 20 . 1 1 61 61 ARG C C 61 178.392 178.392 178.508 -0.116 18805 6368 1 20 . 1 1 61 61 ARG CA C 61 60.599 60.599 58.997 1.602 18805 6369 1 20 . 1 1 61 61 ARG CB C 61 31.546 31.546 30.078 1.468 18805 6370 1 20 . 1 1 61 61 ARG H H 61 8.310 8.310 7.901 0.409 18805 6371 1 20 . 1 1 62 62 ALA N N 62 121.373 121.373 121.268 0.105 18805 6372 1 20 . 1 1 62 62 ALA HA H 62 4.163 4.163 4.244 -0.081 18805 6373 1 20 . 1 1 62 62 ALA C C 62 179.899 179.899 178.297 1.602 18805 6374 1 20 . 1 1 62 62 ALA CA C 62 55.109 55.109 54.450 0.659 18805 6375 1 20 . 1 1 62 62 ALA CB C 62 17.754 17.754 18.543 -0.789 18805 6376 1 20 . 1 1 62 62 ALA H H 62 7.382 7.382 7.505 -0.123 18805 6377 1 20 . 1 1 63 63 LYS N N 63 118.540 118.540 116.508 2.032 18805 6378 1 20 . 1 1 63 63 LYS HA H 63 3.986 3.986 4.175 -0.189 18805 6379 1 20 . 1 1 63 63 LYS C C 63 178.259 178.259 177.666 0.593 18805 6380 1 20 . 1 1 63 63 LYS CA C 63 58.727 58.727 57.409 1.318 18805 6381 1 20 . 1 1 63 63 LYS CB C 63 32.634 32.634 32.279 0.355 18805 6382 1 20 . 1 1 63 63 LYS H H 63 7.573 7.573 7.507 0.066 18805 6383 1 20 . 1 1 64 64 TRP N N 64 121.094 121.094 121.003 0.091 18805 6384 1 20 . 1 1 64 64 TRP HA H 64 4.436 4.436 4.444 -0.008 18805 6385 1 20 . 1 1 64 64 TRP C C 64 177.662 177.662 176.340 1.322 18805 6386 1 20 . 1 1 64 64 TRP CA C 64 60.130 60.130 59.523 0.607 18805 6387 1 20 . 1 1 64 64 TRP CB C 64 29.138 29.138 30.641 -1.503 18805 6388 1 20 . 1 1 64 64 TRP H H 64 8.032 8.032 7.530 0.502 18805 6389 1 20 . 1 1 65 65 ARG N N 65 118.674 118.674 118.778 -0.104 18805 6390 1 20 . 1 1 65 65 ARG HA H 65 3.783 3.783 4.464 -0.681 18805 6391 1 20 . 1 1 65 65 ARG C C 65 177.342 177.342 175.034 2.308 18805 6392 1 20 . 1 1 65 65 ARG CA C 65 58.290 58.290 55.590 2.700 18805 6393 1 20 . 1 1 65 65 ARG CB C 65 30.580 30.580 32.213 -1.633 18805 6394 1 20 . 1 1 65 65 ARG H H 65 8.232 8.232 8.091 0.141 18805 6395 1 20 . 1 1 66 66 LYS N N 66 118.567 118.567 123.191 -4.624 18805 6396 1 20 . 1 1 66 66 LYS HA H 66 4.122 4.122 4.333 -0.211 18805 6397 1 20 . 1 1 66 66 LYS C C 66 177.060 177.060 177.281 -0.221 18805 6398 1 20 . 1 1 66 66 LYS CA C 66 57.389 57.389 56.568 0.821 18805 6399 1 20 . 1 1 66 66 LYS CB C 66 32.659 32.659 33.112 -0.453 18805 6400 1 20 . 1 1 66 66 LYS H H 66 7.591 7.591 8.545 -0.954 18805 6401 1 20 . 1 1 67 67 ARG N N 67 119.185 119.185 121.291 -2.106 18805 6402 1 20 . 1 1 67 67 ARG HA H 67 4.183 4.183 4.141 0.042 18805 6403 1 20 . 1 1 67 67 ARG C C 67 176.830 176.830 176.680 0.150 18805 6404 1 20 . 1 1 67 67 ARG CA C 67 56.879 56.879 57.384 -0.505 18805 6405 1 20 . 1 1 67 67 ARG CB C 67 30.226 30.226 29.899 0.327 18805 6406 1 20 . 1 1 67 67 ARG H H 67 7.722 7.722 8.435 -0.713 18805 6407 1 20 . 1 1 68 68 GLU N N 68 120.614 120.614 119.290 1.324 18805 6408 1 20 . 1 1 68 68 GLU HA H 68 4.087 4.087 4.388 -0.301 18805 6409 1 20 . 1 1 68 68 GLU C C 68 176.803 176.803 176.825 -0.022 18805 6410 1 20 . 1 1 68 68 GLU CA C 68 57.076 57.076 56.150 0.926 18805 6411 1 20 . 1 1 68 68 GLU CB C 68 30.099 30.099 30.307 -0.208 18805 6412 1 20 . 1 1 68 68 GLU H H 68 8.157 8.157 8.268 -0.111 18805 6413 1 20 . 1 1 69 69 ARG N N 69 120.012 120.012 121.002 -0.990 18805 6414 1 20 . 1 1 69 69 ARG C C 69 176.270 176.270 176.399 -0.129 18805 6415 1 20 . 1 1 69 69 ARG CA C 69 66.543 66.543 56.570 9.973 18805 6416 1 20 . 1 1 69 69 ARG CB C 69 32.203 32.203 30.560 1.643 18805 6417 1 20 . 1 1 69 69 ARG H H 69 7.974 7.974 8.544 -0.570 18805 6418 1 20 . 1 1 70 70 PHE HA H 70 4.577 4.577 4.272 0.305 18805 6419 1 20 . 1 1 70 70 PHE CA C 70 58.021 58.021 58.091 -0.070 18805 6420 1 20 . 1 1 70 70 PHE CB C 70 39.295 39.295 39.059 0.236 18805 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 51 2.187 0.287 2.189 18805 2 1 1 "Average Difference" HA 54 0.206 0.067 0.197 18805 3 1 1 "Average Difference" C 54 0.904 -0.085 0.909 18805 4 1 1 "Average Difference" CA 55 1.688 -0.431 1.647 18805 5 1 1 "Average Difference" CB 55 1.055 -0.111 1.059 18805 6 1 1 "Average Difference" HN 52 0.501 -0.189 0.468 18805 7 1 2 "Average Difference" N 51 2.399 0.393 2.390 18805 8 1 2 "Average Difference" HA 54 0.197 0.033 0.196 18805 9 1 2 "Average Difference" C 54 1.066 -0.124 1.069 18805 10 1 2 "Average Difference" CA 55 1.738 -0.396 1.708 18805 11 1 2 "Average Difference" CB 55 1.037 -0.067 1.045 18805 12 1 2 "Average Difference" HN 52 0.445 -0.123 0.432 18805 13 1 3 "Average Difference" N 51 2.356 0.509 2.323 18805 14 1 3 "Average Difference" HA 54 0.219 0.048 0.216 18805 15 1 3 "Average Difference" C 54 1.000 -0.119 1.003 18805 16 1 3 "Average Difference" CA 55 1.687 -0.297 1.676 18805 17 1 3 "Average Difference" CB 55 1.066 -0.096 1.071 18805 18 1 3 "Average Difference" HN 52 0.511 -0.081 0.509 18805 19 1 4 "Average Difference" N 51 2.717 0.507 2.696 18805 20 1 4 "Average Difference" HA 54 0.175 0.069 0.162 18805 21 1 4 "Average Difference" C 54 1.015 -0.148 1.014 18805 22 1 4 "Average Difference" CA 55 1.729 -0.355 1.708 18805 23 1 4 "Average Difference" CB 55 0.908 0.005 0.916 18805 24 1 4 "Average Difference" HN 52 0.515 -0.138 0.502 18805 25 1 5 "Average Difference" N 51 2.816 0.771 2.735 18805 26 1 5 "Average Difference" HA 54 0.189 0.027 0.189 18805 27 1 5 "Average Difference" C 54 1.023 -0.019 1.033 18805 28 1 5 "Average Difference" CA 55 1.695 -0.372 1.669 18805 29 1 5 "Average Difference" CB 55 1.023 -0.137 1.023 18805 30 1 5 "Average Difference" HN 52 0.529 -0.173 0.505 18805 31 1 6 "Average Difference" N 51 2.490 0.601 2.440 18805 32 1 6 "Average Difference" HA 54 0.238 0.043 0.236 18805 33 1 6 "Average Difference" C 54 1.038 -0.103 1.043 18805 34 1 6 "Average Difference" CA 55 1.777 -0.327 1.762 18805 35 1 6 "Average Difference" CB 55 1.038 -0.107 1.042 18805 36 1 6 "Average Difference" HN 52 0.480 -0.139 0.464 18805 37 1 7 "Average Difference" N 51 2.355 0.412 2.342 18805 38 1 7 "Average Difference" HA 54 0.184 0.053 0.178 18805 39 1 7 "Average Difference" C 54 1.001 -0.132 1.002 18805 40 1 7 "Average Difference" CA 55 1.710 -0.480 1.656 18805 41 1 7 "Average Difference" CB 55 1.058 -0.095 1.063 18805 42 1 7 "Average Difference" HN 52 0.534 -0.185 0.506 18805 43 1 8 "Average Difference" N 51 2.259 0.207 2.272 18805 44 1 8 "Average Difference" HA 54 0.200 0.049 0.196 18805 45 1 8 "Average Difference" C 54 1.065 -0.062 1.073 18805 46 1 8 "Average Difference" CA 55 1.601 -0.274 1.592 18805 47 1 8 "Average Difference" CB 55 1.093 -0.076 1.100 18805 48 1 8 "Average Difference" HN 52 0.545 -0.119 0.538 18805 49 1 9 "Average Difference" N 51 2.594 0.383 2.591 18805 50 1 9 "Average Difference" HA 54 0.250 0.040 0.249 18805 51 1 9 "Average Difference" C 54 1.008 -0.073 1.015 18805 52 1 9 "Average Difference" CA 55 1.868 -0.222 1.872 18805 53 1 9 "Average Difference" CB 55 1.091 -0.099 1.097 18805 54 1 9 "Average Difference" HN 52 0.561 -0.153 0.545 18805 55 1 10 "Average Difference" N 51 2.044 0.296 2.042 18805 56 1 10 "Average Difference" HA 54 0.220 0.066 0.212 18805 57 1 10 "Average Difference" C 54 0.997 -0.051 1.005 18805 58 1 10 "Average Difference" CA 55 1.839 -0.422 1.806 18805 59 1 10 "Average Difference" CB 55 1.118 -0.011 1.128 18805 60 1 10 "Average Difference" HN 52 0.556 -0.178 0.532 18805 61 1 11 "Average Difference" N 51 2.363 0.525 2.327 18805 62 1 11 "Average Difference" HA 54 0.174 0.056 0.167 18805 63 1 11 "Average Difference" C 54 1.042 -0.174 1.037 18805 64 1 11 "Average Difference" CA 55 1.758 -0.430 1.720 18805 65 1 11 "Average Difference" CB 55 0.898 0.021 0.906 18805 66 1 11 "Average Difference" HN 52 0.471 -0.179 0.440 18805 67 1 12 "Average Difference" N 51 2.528 0.528 2.497 18805 68 1 12 "Average Difference" HA 54 0.208 0.032 0.207 18805 69 1 12 "Average Difference" C 54 1.082 -0.041 1.092 18805 70 1 12 "Average Difference" CA 55 1.756 -0.355 1.735 18805 71 1 12 "Average Difference" CB 55 1.056 -0.138 1.057 18805 72 1 12 "Average Difference" HN 52 0.531 -0.197 0.497 18805 73 1 13 "Average Difference" N 51 2.130 0.323 2.126 18805 74 1 13 "Average Difference" HA 54 0.208 0.058 0.201 18805 75 1 13 "Average Difference" C 54 0.902 -0.125 0.902 18805 76 1 13 "Average Difference" CA 55 1.714 -0.391 1.684 18805 77 1 13 "Average Difference" CB 55 0.881 -0.080 0.886 18805 78 1 13 "Average Difference" HN 52 0.529 -0.113 0.521 18805 79 1 14 "Average Difference" N 51 2.389 0.533 2.352 18805 80 1 14 "Average Difference" HA 54 0.199 0.054 0.194 18805 81 1 14 "Average Difference" C 54 0.990 -0.088 0.996 18805 82 1 14 "Average Difference" CA 55 1.755 -0.389 1.727 18805 83 1 14 "Average Difference" CB 55 0.927 -0.011 0.936 18805 84 1 14 "Average Difference" HN 52 0.553 -0.160 0.535 18805 85 1 15 "Average Difference" N 51 2.089 0.443 2.062 18805 86 1 15 "Average Difference" HA 54 0.238 0.060 0.232 18805 87 1 15 "Average Difference" C 54 1.006 -0.089 1.012 18805 88 1 15 "Average Difference" CA 55 1.775 -0.276 1.769 18805 89 1 15 "Average Difference" CB 55 1.058 -0.114 1.061 18805 90 1 15 "Average Difference" HN 52 0.468 -0.086 0.465 18805 91 1 16 "Average Difference" N 51 2.207 0.476 2.176 18805 92 1 16 "Average Difference" HA 54 0.199 0.028 0.199 18805 93 1 16 "Average Difference" C 54 0.962 0.047 0.970 18805 94 1 16 "Average Difference" CA 55 1.654 -0.278 1.645 18805 95 1 16 "Average Difference" CB 55 1.067 -0.226 1.052 18805 96 1 16 "Average Difference" HN 52 0.481 -0.187 0.448 18805 97 1 17 "Average Difference" N 51 2.535 0.784 2.435 18805 98 1 17 "Average Difference" HA 54 0.197 0.070 0.186 18805 99 1 17 "Average Difference" C 54 1.054 -0.075 1.061 18805 100 1 17 "Average Difference" CA 55 1.821 -0.418 1.789 18805 101 1 17 "Average Difference" CB 55 0.954 0.011 0.963 18805 102 1 17 "Average Difference" HN 52 0.513 -0.138 0.499 18805 103 1 18 "Average Difference" N 51 2.516 0.551 2.480 18805 104 1 18 "Average Difference" HA 54 0.206 0.039 0.204 18805 105 1 18 "Average Difference" C 54 0.947 -0.137 0.946 18805 106 1 18 "Average Difference" CA 55 1.653 -0.397 1.620 18805 107 1 18 "Average Difference" CB 55 1.221 -0.191 1.217 18805 108 1 18 "Average Difference" HN 52 0.516 -0.128 0.505 18805 109 1 19 "Average Difference" N 51 2.071 0.231 2.079 18805 110 1 19 "Average Difference" HA 54 0.203 0.064 0.195 18805 111 1 19 "Average Difference" C 54 1.010 -0.007 1.020 18805 112 1 19 "Average Difference" CA 55 1.482 -0.353 1.453 18805 113 1 19 "Average Difference" CB 55 1.023 -0.074 1.030 18805 114 1 19 "Average Difference" HN 52 0.510 -0.122 0.500 18805 115 1 20 "Average Difference" N 51 2.431 0.635 2.370 18805 116 1 20 "Average Difference" HA 54 0.220 0.064 0.212 18805 117 1 20 "Average Difference" C 54 0.981 -0.084 0.986 18805 118 1 20 "Average Difference" CA 55 1.650 -0.313 1.635 18805 119 1 20 "Average Difference" CB 55 1.034 -0.017 1.043 18805 120 1 20 "Average Difference" HN 52 0.523 -0.120 0.514 18805 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 18805 _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 16 16 PHE HA H 16 5.000 5.000 4.866 0.134 18805 2 1 . 1 1 16 16 PHE C C 16 176.744 176.744 175.860 0.884 18805 3 1 . 1 1 16 16 PHE CA C 16 57.425 57.425 57.030 0.395 18805 4 1 . 1 1 16 16 PHE CB C 16 41.475 41.475 40.080 1.395 18805 5 1 . 1 1 16 16 PHE H H 16 9.114 9.114 7.780 1.334 18805 6 1 . 1 1 17 17 THR N N 17 113.394 113.394 113.794 -0.400 18805 7 1 . 1 1 17 17 THR HA H 17 4.552 4.552 4.624 -0.072 18805 8 1 . 1 1 17 17 THR C C 17 175.352 175.352 175.600 -0.248 18805 9 1 . 1 1 17 17 THR CA C 17 60.392 60.392 60.786 -0.394 18805 10 1 . 1 1 17 17 THR CB C 17 71.013 71.013 70.849 0.164 18805 11 1 . 1 1 17 17 THR H H 17 9.106 9.106 8.654 0.452 18805 12 1 . 1 1 18 18 SER HA H 18 4.146 4.146 4.205 -0.059 18805 13 1 . 1 1 18 18 SER C C 18 176.860 176.860 176.303 0.557 18805 14 1 . 1 1 18 18 SER CA C 18 62.173 62.173 61.833 0.340 18805 15 1 . 1 1 18 18 SER CB C 18 62.172 62.172 62.831 -0.658 18805 16 1 . 1 1 19 19 TYR N N 19 121.561 121.561 122.646 -1.086 18805 17 1 . 1 1 19 19 TYR HA H 19 4.340 4.340 4.222 0.118 18805 18 1 . 1 1 19 19 TYR C C 19 176.860 176.860 177.444 -0.584 18805 19 1 . 1 1 19 19 TYR CA C 19 60.736 60.736 61.369 -0.633 18805 20 1 . 1 1 19 19 TYR CB C 19 38.557 38.557 38.187 0.369 18805 21 1 . 1 1 19 19 TYR H H 19 8.145 8.145 8.323 -0.178 18805 22 1 . 1 1 20 20 GLN N N 20 116.967 116.967 118.136 -1.169 18805 23 1 . 1 1 20 20 GLN HA H 20 3.359 3.359 3.707 -0.348 18805 24 1 . 1 1 20 20 GLN C C 20 177.344 177.344 178.104 -0.761 18805 25 1 . 1 1 20 20 GLN CA C 20 59.633 59.633 59.147 0.486 18805 26 1 . 1 1 20 20 GLN CB C 20 27.866 27.866 28.618 -0.752 18805 27 1 . 1 1 20 20 GLN H H 20 7.545 7.545 7.863 -0.318 18805 28 1 . 1 1 21 21 LEU N N 21 115.751 115.751 119.250 -3.499 18805 29 1 . 1 1 21 21 LEU HA H 21 3.532 3.532 3.563 -0.031 18805 30 1 . 1 1 21 21 LEU C C 21 178.858 178.858 178.961 -0.103 18805 31 1 . 1 1 21 21 LEU CA C 21 57.774 57.774 57.522 0.252 18805 32 1 . 1 1 21 21 LEU CB C 21 41.660 41.660 41.421 0.239 18805 33 1 . 1 1 21 21 LEU H H 21 8.116 8.116 8.049 0.067 18805 34 1 . 1 1 22 22 GLU N N 22 118.939 118.939 119.213 -0.274 18805 35 1 . 1 1 22 22 GLU HA H 22 3.876 3.876 3.894 -0.018 18805 36 1 . 1 1 22 22 GLU C C 22 179.617 179.617 179.152 0.465 18805 37 1 . 1 1 22 22 GLU CA C 22 59.244 59.244 59.436 -0.192 18805 38 1 . 1 1 22 22 GLU CB C 22 29.454 29.454 29.086 0.368 18805 39 1 . 1 1 22 22 GLU H H 22 8.108 8.108 7.802 0.306 18805 40 1 . 1 1 23 23 GLU N N 23 117.643 117.643 119.206 -1.563 18805 41 1 . 1 1 23 23 GLU HA H 23 3.699 3.699 3.955 -0.256 18805 42 1 . 1 1 23 23 GLU C C 23 179.328 179.328 179.069 0.259 18805 43 1 . 1 1 23 23 GLU CA C 23 58.616 58.616 58.504 0.112 18805 44 1 . 1 1 23 23 GLU CB C 23 29.191 29.191 29.187 0.004 18805 45 1 . 1 1 23 23 GLU H H 23 7.631 7.631 7.482 0.149 18805 46 1 . 1 1 24 24 LEU N N 24 122.218 122.218 119.880 2.338 18805 47 1 . 1 1 24 24 LEU HA H 24 3.490 3.490 3.605 -0.115 18805 48 1 . 1 1 24 24 LEU C C 24 177.731 177.731 178.790 -1.059 18805 49 1 . 1 1 24 24 LEU CA C 24 58.732 58.732 57.888 0.844 18805 50 1 . 1 1 24 24 LEU CB C 24 38.207 38.207 40.500 -2.293 18805 51 1 . 1 1 24 24 LEU H H 24 7.995 7.995 7.917 0.078 18805 52 1 . 1 1 25 25 GLU N N 25 118.406 118.406 118.263 0.143 18805 53 1 . 1 1 25 25 GLU HA H 25 4.278 4.278 4.167 0.111 18805 54 1 . 1 1 25 25 GLU C C 25 179.059 179.059 178.961 0.098 18805 55 1 . 1 1 25 25 GLU CA C 25 58.612 58.612 59.399 -0.787 18805 56 1 . 1 1 25 25 GLU CB C 25 28.957 28.957 29.194 -0.237 18805 57 1 . 1 1 25 25 GLU H H 25 7.833 7.833 7.745 0.088 18805 58 1 . 1 1 26 26 LYS N N 26 118.033 118.033 120.086 -2.053 18805 59 1 . 1 1 26 26 LYS HA H 26 3.978 3.978 4.042 -0.064 18805 60 1 . 1 1 26 26 LYS C C 26 180.388 180.388 179.296 1.092 18805 61 1 . 1 1 26 26 LYS CA C 26 59.919 59.919 59.401 0.518 18805 62 1 . 1 1 26 26 LYS CB C 26 32.821 32.821 32.361 0.460 18805 63 1 . 1 1 26 26 LYS H H 26 7.795 7.795 7.670 0.125 18805 64 1 . 1 1 27 27 VAL N N 27 118.207 118.207 118.894 -0.687 18805 65 1 . 1 1 27 27 VAL HA H 27 3.853 3.853 3.710 0.143 18805 66 1 . 1 1 27 27 VAL C C 27 177.057 177.057 177.818 -0.761 18805 67 1 . 1 1 27 27 VAL CA C 27 66.944 66.944 65.908 1.036 18805 68 1 . 1 1 27 27 VAL CB C 27 31.034 31.034 31.820 -0.786 18805 69 1 . 1 1 27 27 VAL H H 27 7.316 7.316 7.707 -0.391 18805 70 1 . 1 1 28 28 PHE N N 28 122.791 122.791 120.926 1.865 18805 71 1 . 1 1 28 28 PHE HA H 28 4.744 4.744 4.764 -0.020 18805 72 1 . 1 1 28 28 PHE C C 28 175.721 175.721 176.975 -1.254 18805 73 1 . 1 1 28 28 PHE CA C 28 61.452 61.452 60.643 0.809 18805 74 1 . 1 1 28 28 PHE CB C 28 38.872 38.872 39.445 -0.573 18805 75 1 . 1 1 28 28 PHE H H 28 8.540 8.540 7.950 0.590 18805 76 1 . 1 1 29 29 GLN N N 29 112.048 112.048 116.604 -4.556 18805 77 1 . 1 1 29 29 GLN HA H 29 3.843 3.843 4.020 -0.177 18805 78 1 . 1 1 29 29 GLN C C 29 177.467 177.467 177.375 0.092 18805 79 1 . 1 1 29 29 GLN CA C 29 57.595 57.595 57.379 0.216 18805 80 1 . 1 1 29 29 GLN CB C 29 28.204 28.204 28.497 -0.293 18805 81 1 . 1 1 29 29 GLN H H 29 8.129 8.129 8.106 0.023 18805 82 1 . 1 1 30 30 LYS N N 30 118.854 118.854 118.080 0.774 18805 83 1 . 1 1 30 30 LYS HA H 30 4.260 4.260 4.195 0.065 18805 84 1 . 1 1 30 30 LYS C C 30 176.920 176.920 177.070 -0.150 18805 85 1 . 1 1 30 30 LYS CA C 30 57.449 57.449 57.573 -0.124 18805 86 1 . 1 1 30 30 LYS CB C 30 33.450 33.450 33.513 -0.063 18805 87 1 . 1 1 30 30 LYS H H 30 7.599 7.599 7.616 -0.017 18805 88 1 . 1 1 31 31 THR N N 31 115.210 115.210 112.340 2.870 18805 89 1 . 1 1 31 31 THR HA H 31 4.279 4.279 4.291 -0.012 18805 90 1 . 1 1 31 31 THR C C 31 171.092 171.092 173.717 -2.625 18805 91 1 . 1 1 31 31 THR CA C 31 59.113 59.113 60.581 -1.468 18805 92 1 . 1 1 31 31 THR CB C 31 69.375 69.375 69.999 -0.624 18805 93 1 . 1 1 31 31 THR H H 31 8.840 8.840 7.893 0.947 18805 94 1 . 1 1 32 32 HIS N N 32 123.048 123.048 125.313 -2.265 18805 95 1 . 1 1 32 32 HIS HA H 32 4.343 4.343 4.138 0.205 18805 96 1 . 1 1 32 32 HIS C C 32 174.598 174.598 174.746 -0.148 18805 97 1 . 1 1 32 32 HIS CA C 32 55.323 55.323 57.304 -1.981 18805 98 1 . 1 1 32 32 HIS CB C 32 30.975 30.975 29.562 1.413 18805 99 1 . 1 1 32 32 HIS H H 32 8.342 8.342 8.459 -0.117 18805 100 1 . 1 1 33 33 TYR N N 33 114.650 114.650 117.871 -3.221 18805 101 1 . 1 1 33 33 TYR HA H 33 4.703 4.703 4.822 -0.119 18805 102 1 . 1 1 33 33 TYR C C 33 172.558 172.558 173.449 -0.891 18805 103 1 . 1 1 33 33 TYR CA C 33 55.146 55.146 54.231 0.914 18805 104 1 . 1 1 33 33 TYR CB C 33 38.868 38.868 38.307 0.561 18805 105 1 . 1 1 33 33 TYR H H 33 8.109 8.109 7.398 0.711 18805 106 1 . 1 1 34 34 PRO HA H 34 4.273 4.273 4.376 -0.103 18805 107 1 . 1 1 34 34 PRO C C 34 177.097 177.097 176.414 0.683 18805 108 1 . 1 1 34 34 PRO CA C 34 62.413 62.413 62.630 -0.217 18805 109 1 . 1 1 34 34 PRO CB C 34 30.790 30.790 32.159 -1.369 18805 110 1 . 1 1 35 35 ASP N N 35 124.197 124.197 123.795 0.402 18805 111 1 . 1 1 35 35 ASP HA H 35 4.447 4.447 4.483 -0.036 18805 112 1 . 1 1 35 35 ASP C C 35 175.603 175.603 177.799 -2.196 18805 113 1 . 1 1 35 35 ASP CA C 35 52.685 52.685 54.362 -1.677 18805 114 1 . 1 1 35 35 ASP CB C 35 40.952 40.952 41.848 -0.896 18805 115 1 . 1 1 35 35 ASP H H 35 8.547 8.547 8.251 0.296 18805 116 1 . 1 1 36 36 VAL N N 36 118.006 118.006 120.857 -2.851 18805 117 1 . 1 1 36 36 VAL HA H 36 3.473 3.473 3.761 -0.288 18805 118 1 . 1 1 36 36 VAL C C 36 176.268 176.268 177.160 -0.892 18805 119 1 . 1 1 36 36 VAL CA C 36 66.404 66.404 65.820 0.584 18805 120 1 . 1 1 36 36 VAL CB C 36 31.419 31.419 31.949 -0.530 18805 121 1 . 1 1 36 36 VAL H H 36 8.281 8.281 8.440 -0.159 18805 122 1 . 1 1 37 37 TYR N N 37 121.225 121.225 120.266 0.959 18805 123 1 . 1 1 37 37 TYR HA H 37 4.305 4.305 4.310 -0.005 18805 124 1 . 1 1 37 37 TYR C C 37 178.136 178.136 176.882 1.254 18805 125 1 . 1 1 37 37 TYR CA C 37 60.808 60.808 61.291 -0.484 18805 126 1 . 1 1 37 37 TYR CB C 37 37.392 37.392 37.755 -0.364 18805 127 1 . 1 1 37 37 TYR H H 37 7.423 7.423 8.203 -0.780 18805 128 1 . 1 1 38 38 ALA N N 38 122.550 122.550 121.707 0.843 18805 129 1 . 1 1 38 38 ALA HA H 38 4.071 4.071 4.074 -0.003 18805 130 1 . 1 1 38 38 ALA C C 38 182.258 182.258 179.889 2.369 18805 131 1 . 1 1 38 38 ALA CA C 38 54.885 54.885 54.822 0.063 18805 132 1 . 1 1 38 38 ALA CB C 38 18.336 18.336 18.117 0.219 18805 133 1 . 1 1 38 38 ALA H H 38 8.376 8.376 8.201 0.175 18805 134 1 . 1 1 39 39 ARG N N 39 117.400 117.400 117.872 -0.472 18805 135 1 . 1 1 39 39 ARG HA H 39 3.834 3.834 3.995 -0.161 18805 136 1 . 1 1 39 39 ARG C C 39 178.142 178.142 178.892 -0.750 18805 137 1 . 1 1 39 39 ARG CA C 39 60.991 60.991 59.032 1.959 18805 138 1 . 1 1 39 39 ARG CB C 39 31.335 31.335 29.823 1.512 18805 139 1 . 1 1 39 39 ARG H H 39 8.699 8.699 8.032 0.667 18805 140 1 . 1 1 40 40 GLU N N 40 121.231 121.231 120.040 1.191 18805 141 1 . 1 1 40 40 GLU HA H 40 3.943 3.943 3.971 -0.028 18805 142 1 . 1 1 40 40 GLU C C 40 179.598 179.598 178.968 0.630 18805 143 1 . 1 1 40 40 GLU CA C 40 59.805 59.805 59.225 0.580 18805 144 1 . 1 1 40 40 GLU CB C 40 29.508 29.508 28.965 0.543 18805 145 1 . 1 1 40 40 GLU H H 40 8.672 8.672 7.829 0.843 18805 146 1 . 1 1 41 41 GLN N N 41 118.662 118.662 117.984 0.678 18805 147 1 . 1 1 41 41 GLN HA H 41 3.958 3.958 3.958 -0.000 18805 148 1 . 1 1 41 41 GLN C C 41 178.675 178.675 178.660 0.015 18805 149 1 . 1 1 41 41 GLN CA C 41 58.594 58.594 58.194 0.400 18805 150 1 . 1 1 41 41 GLN CB C 41 28.396 28.396 28.379 0.017 18805 151 1 . 1 1 41 41 GLN H H 41 8.264 8.264 7.603 0.661 18805 152 1 . 1 1 42 42 LEU N N 42 121.044 121.044 120.628 0.416 18805 153 1 . 1 1 42 42 LEU HA H 42 4.009 4.009 4.022 -0.013 18805 154 1 . 1 1 42 42 LEU C C 42 179.727 179.727 178.189 1.538 18805 155 1 . 1 1 42 42 LEU CA C 42 57.600 57.600 57.266 0.334 18805 156 1 . 1 1 42 42 LEU CB C 42 42.752 42.752 41.472 1.280 18805 157 1 . 1 1 42 42 LEU H H 42 7.909 7.909 7.723 0.186 18805 158 1 . 1 1 43 43 ALA N N 43 124.342 124.342 121.947 2.395 18805 159 1 . 1 1 43 43 ALA HA H 43 3.697 3.697 4.123 -0.426 18805 160 1 . 1 1 43 43 ALA C C 43 179.056 179.056 179.679 -0.623 18805 161 1 . 1 1 43 43 ALA CA C 43 55.561 55.561 54.694 0.867 18805 162 1 . 1 1 43 43 ALA CB C 43 17.186 17.186 18.670 -1.484 18805 163 1 . 1 1 43 43 ALA H H 43 8.647 8.647 7.963 0.684 18805 164 1 . 1 1 44 44 MET N N 44 115.878 115.878 115.871 0.007 18805 165 1 . 1 1 44 44 MET HA H 44 4.262 4.262 4.206 0.056 18805 166 1 . 1 1 44 44 MET C C 44 179.154 179.154 178.306 0.848 18805 167 1 . 1 1 44 44 MET CA C 44 58.569 58.569 57.702 0.867 18805 168 1 . 1 1 44 44 MET CB C 44 32.138 32.138 32.155 -0.017 18805 169 1 . 1 1 44 44 MET H H 44 7.926 7.926 7.726 0.200 18805 170 1 . 1 1 45 45 ARG N N 45 116.503 116.503 118.131 -1.628 18805 171 1 . 1 1 45 45 ARG HA H 45 4.402 4.402 4.253 0.149 18805 172 1 . 1 1 45 45 ARG C C 45 177.591 177.591 178.542 -0.951 18805 173 1 . 1 1 45 45 ARG CA C 45 58.315 58.315 58.418 -0.103 18805 174 1 . 1 1 45 45 ARG CB C 45 30.909 30.909 30.461 0.448 18805 175 1 . 1 1 45 45 ARG H H 45 7.903 7.903 7.817 0.086 18805 176 1 . 1 1 46 46 THR N N 46 105.711 105.711 108.854 -3.143 18805 177 1 . 1 1 46 46 THR HA H 46 4.501 4.501 4.424 0.077 18805 178 1 . 1 1 46 46 THR C C 46 174.417 174.417 174.657 -0.240 18805 179 1 . 1 1 46 46 THR CA C 46 61.808 61.808 62.830 -1.022 18805 180 1 . 1 1 46 46 THR CB C 46 70.714 70.714 69.528 1.186 18805 181 1 . 1 1 46 46 THR H H 46 7.662 7.662 7.983 -0.321 18805 182 1 . 1 1 47 47 ASP N N 47 120.391 120.391 118.769 1.622 18805 183 1 . 1 1 47 47 ASP HA H 47 4.472 4.472 4.365 0.107 18805 184 1 . 1 1 47 47 ASP C C 47 174.537 174.537 175.301 -0.764 18805 185 1 . 1 1 47 47 ASP CA C 47 55.933 55.933 55.606 0.327 18805 186 1 . 1 1 47 47 ASP CB C 47 39.565 39.565 39.575 -0.010 18805 187 1 . 1 1 47 47 ASP H H 47 7.922 7.922 7.949 -0.027 18805 188 1 . 1 1 48 48 LEU N N 48 118.406 118.406 119.004 -0.598 18805 189 1 . 1 1 48 48 LEU HA H 48 4.891 4.891 4.568 0.323 18805 190 1 . 1 1 48 48 LEU C C 48 176.180 176.180 176.788 -0.608 18805 191 1 . 1 1 48 48 LEU CA C 48 52.943 52.943 54.210 -1.267 18805 192 1 . 1 1 48 48 LEU CB C 48 46.638 46.638 43.532 3.106 18805 193 1 . 1 1 48 48 LEU H H 48 8.072 8.072 7.532 0.540 18805 194 1 . 1 1 49 49 THR N N 49 106.891 106.891 114.299 -7.408 18805 195 1 . 1 1 49 49 THR HA H 49 4.597 4.597 4.426 0.171 18805 196 1 . 1 1 49 49 THR C C 49 175.667 175.667 175.570 0.097 18805 197 1 . 1 1 49 49 THR CA C 49 59.573 59.573 61.362 -1.789 18805 198 1 . 1 1 49 49 THR CB C 49 71.085 71.085 70.244 0.841 18805 199 1 . 1 1 49 49 THR H H 49 7.071 7.071 8.169 -1.098 18805 200 1 . 1 1 50 50 GLU N N 50 124.013 124.013 124.574 -0.561 18805 201 1 . 1 1 50 50 GLU HA H 50 3.721 3.721 3.926 -0.205 18805 202 1 . 1 1 50 50 GLU C C 50 178.112 178.112 178.522 -0.410 18805 203 1 . 1 1 50 50 GLU CA C 50 60.982 60.982 60.282 0.700 18805 204 1 . 1 1 50 50 GLU CB C 50 28.654 28.654 29.466 -0.812 18805 205 1 . 1 1 50 50 GLU H H 50 9.271 9.271 9.030 0.241 18805 206 1 . 1 1 51 51 ALA N N 51 119.708 119.708 121.307 -1.599 18805 207 1 . 1 1 51 51 ALA HA H 51 4.108 4.108 4.209 -0.101 18805 208 1 . 1 1 51 51 ALA C C 51 180.493 180.493 179.974 0.519 18805 209 1 . 1 1 51 51 ALA CA C 51 55.200 55.200 55.007 0.193 18805 210 1 . 1 1 51 51 ALA CB C 51 18.397 18.397 18.242 0.155 18805 211 1 . 1 1 51 51 ALA H H 51 8.377 8.377 8.412 -0.035 18805 212 1 . 1 1 52 52 ARG N N 52 117.740 117.740 118.881 -1.141 18805 213 1 . 1 1 52 52 ARG HA H 52 4.213 4.213 4.279 -0.066 18805 214 1 . 1 1 52 52 ARG C C 52 179.734 179.734 179.000 0.734 18805 215 1 . 1 1 52 52 ARG CA C 52 59.006 59.006 58.715 0.291 18805 216 1 . 1 1 52 52 ARG CB C 52 30.626 30.626 30.020 0.606 18805 217 1 . 1 1 52 52 ARG H H 52 7.756 7.756 7.762 -0.006 18805 218 1 . 1 1 53 53 VAL N N 53 120.607 120.607 120.438 0.169 18805 219 1 . 1 1 53 53 VAL HA H 53 3.706 3.706 3.794 -0.088 18805 220 1 . 1 1 53 53 VAL C C 53 177.734 177.734 178.224 -0.490 18805 221 1 . 1 1 53 53 VAL CA C 53 67.350 67.350 66.483 0.867 18805 222 1 . 1 1 53 53 VAL CB C 53 31.900 31.900 31.192 0.708 18805 223 1 . 1 1 53 53 VAL H H 53 8.206 8.206 8.137 0.069 18805 224 1 . 1 1 54 54 GLN N N 54 119.441 119.441 119.395 0.046 18805 225 1 . 1 1 54 54 GLN HA H 54 4.401 4.401 4.127 0.274 18805 226 1 . 1 1 54 54 GLN C C 54 179.055 179.055 178.938 0.117 18805 227 1 . 1 1 54 54 GLN CA C 54 60.036 60.036 59.250 0.786 18805 228 1 . 1 1 54 54 GLN CB C 54 28.509 28.509 28.618 -0.109 18805 229 1 . 1 1 54 54 GLN H H 54 8.747 8.747 8.054 0.693 18805 230 1 . 1 1 55 55 VAL N N 55 119.951 119.951 119.587 0.364 18805 231 1 . 1 1 55 55 VAL HA H 55 3.783 3.783 3.843 -0.060 18805 232 1 . 1 1 55 55 VAL C C 55 177.751 177.751 177.915 -0.164 18805 233 1 . 1 1 55 55 VAL CA C 55 66.575 66.575 66.957 -0.383 18805 234 1 . 1 1 55 55 VAL CB C 55 32.017 32.017 31.431 0.586 18805 235 1 . 1 1 55 55 VAL H H 55 7.973 7.973 8.014 -0.041 18805 236 1 . 1 1 56 56 TRP N N 56 121.386 121.386 121.843 -0.457 18805 237 1 . 1 1 56 56 TRP HA H 56 4.075 4.075 4.183 -0.108 18805 238 1 . 1 1 56 56 TRP C C 56 179.849 179.849 178.094 1.756 18805 239 1 . 1 1 56 56 TRP CA C 56 63.249 63.249 61.779 1.470 18805 240 1 . 1 1 56 56 TRP CB C 56 28.266 28.266 29.401 -1.135 18805 241 1 . 1 1 56 56 TRP H H 56 8.351 8.351 7.786 0.565 18805 242 1 . 1 1 57 57 PHE N N 57 118.444 118.444 117.145 1.299 18805 243 1 . 1 1 57 57 PHE HA H 57 3.629 3.629 3.933 -0.304 18805 244 1 . 1 1 57 57 PHE C C 57 178.058 178.058 178.274 -0.216 18805 245 1 . 1 1 57 57 PHE CA C 57 63.831 63.831 62.324 1.507 18805 246 1 . 1 1 57 57 PHE CB C 57 39.161 39.161 38.797 0.365 18805 247 1 . 1 1 57 57 PHE H H 57 8.924 8.924 8.232 0.692 18805 248 1 . 1 1 58 58 GLN N N 58 119.552 119.552 118.344 1.208 18805 249 1 . 1 1 58 58 GLN HA H 58 3.958 3.958 4.018 -0.060 18805 250 1 . 1 1 58 58 GLN C C 58 179.475 179.475 178.575 0.900 18805 251 1 . 1 1 58 58 GLN CA C 58 59.730 59.730 59.031 0.699 18805 252 1 . 1 1 58 58 GLN CB C 58 28.108 28.108 28.355 -0.247 18805 253 1 . 1 1 58 58 GLN H H 58 8.322 8.322 8.343 -0.021 18805 254 1 . 1 1 59 59 ASN N N 59 119.095 119.095 118.338 0.758 18805 255 1 . 1 1 59 59 ASN HA H 59 4.344 4.344 4.426 -0.082 18805 256 1 . 1 1 59 59 ASN C C 59 177.212 177.212 177.602 -0.390 18805 257 1 . 1 1 59 59 ASN CA C 59 55.536 55.536 55.901 -0.365 18805 258 1 . 1 1 59 59 ASN CB C 59 37.920 37.920 38.351 -0.431 18805 259 1 . 1 1 59 59 ASN H H 59 8.158 8.158 8.001 0.157 18805 260 1 . 1 1 60 60 ARG N N 60 124.480 124.480 120.597 3.883 18805 261 1 . 1 1 60 60 ARG HA H 60 3.383 3.383 3.705 -0.322 18805 262 1 . 1 1 60 60 ARG C C 60 179.622 179.622 178.494 1.128 18805 263 1 . 1 1 60 60 ARG CA C 60 56.532 56.532 57.973 -1.441 18805 264 1 . 1 1 60 60 ARG CB C 60 27.904 27.904 29.012 -1.108 18805 265 1 . 1 1 60 60 ARG H H 60 8.494 8.494 7.858 0.636 18805 266 1 . 1 1 61 61 ARG N N 61 118.870 118.870 118.925 -0.055 18805 267 1 . 1 1 61 61 ARG HA H 61 3.946 3.946 4.300 -0.354 18805 268 1 . 1 1 61 61 ARG C C 61 178.392 178.392 178.520 -0.128 18805 269 1 . 1 1 61 61 ARG CA C 61 60.599 60.599 59.240 1.359 18805 270 1 . 1 1 61 61 ARG CB C 61 31.546 31.546 30.116 1.430 18805 271 1 . 1 1 61 61 ARG H H 61 8.310 8.310 8.082 0.229 18805 272 1 . 1 1 62 62 ALA N N 62 121.373 121.373 122.198 -0.825 18805 273 1 . 1 1 62 62 ALA HA H 62 4.163 4.163 4.185 -0.022 18805 274 1 . 1 1 62 62 ALA C C 62 179.899 179.899 178.819 1.080 18805 275 1 . 1 1 62 62 ALA CA C 62 55.109 55.109 54.949 0.160 18805 276 1 . 1 1 62 62 ALA CB C 62 17.754 17.754 18.374 -0.620 18805 277 1 . 1 1 62 62 ALA H H 62 7.382 7.382 7.796 -0.414 18805 278 1 . 1 1 63 63 LYS N N 63 118.540 118.540 117.333 1.207 18805 279 1 . 1 1 63 63 LYS HA H 63 3.986 3.986 4.144 -0.158 18805 280 1 . 1 1 63 63 LYS C C 63 178.259 178.259 178.376 -0.117 18805 281 1 . 1 1 63 63 LYS CA C 63 58.727 58.727 58.315 0.412 18805 282 1 . 1 1 63 63 LYS CB C 63 32.634 32.634 32.473 0.161 18805 283 1 . 1 1 63 63 LYS H H 63 7.573 7.573 7.599 -0.026 18805 284 1 . 1 1 64 64 TRP N N 64 121.094 121.094 120.716 0.378 18805 285 1 . 1 1 64 64 TRP HA H 64 4.436 4.436 4.420 0.016 18805 286 1 . 1 1 64 64 TRP C C 64 177.662 177.662 177.141 0.521 18805 287 1 . 1 1 64 64 TRP CA C 64 60.130 60.130 59.870 0.260 18805 288 1 . 1 1 64 64 TRP CB C 64 29.138 29.138 30.004 -0.866 18805 289 1 . 1 1 64 64 TRP H H 64 8.032 8.032 7.835 0.197 18805 290 1 . 1 1 65 65 ARG N N 65 118.674 118.674 118.561 0.113 18805 291 1 . 1 1 65 65 ARG HA H 65 3.783 3.783 4.107 -0.324 18805 292 1 . 1 1 65 65 ARG C C 65 177.342 177.342 175.971 1.371 18805 293 1 . 1 1 65 65 ARG CA C 65 58.290 58.290 56.331 1.959 18805 294 1 . 1 1 65 65 ARG CB C 65 30.580 30.580 30.366 0.214 18805 295 1 . 1 1 65 65 ARG H H 65 8.232 8.232 7.800 0.432 18805 296 1 . 1 1 66 66 LYS N N 66 118.567 118.567 120.598 -2.031 18805 297 1 . 1 1 66 66 LYS HA H 66 4.122 4.122 4.159 -0.037 18805 298 1 . 1 1 66 66 LYS C C 66 177.060 177.060 176.083 0.977 18805 299 1 . 1 1 66 66 LYS CA C 66 57.389 57.389 56.509 0.880 18805 300 1 . 1 1 66 66 LYS CB C 66 32.659 32.659 32.472 0.187 18805 301 1 . 1 1 66 66 LYS H H 66 7.591 7.591 7.917 -0.327 18805 302 1 . 1 1 67 67 ARG N N 67 119.185 119.185 122.930 -3.745 18805 303 1 . 1 1 67 67 ARG HA H 67 4.183 4.183 4.254 -0.071 18805 304 1 . 1 1 67 67 ARG C C 67 176.830 176.830 175.830 1.000 18805 305 1 . 1 1 67 67 ARG CA C 67 56.879 56.879 56.512 0.367 18805 306 1 . 1 1 67 67 ARG CB C 67 30.226 30.226 30.417 -0.191 18805 307 1 . 1 1 67 67 ARG H H 67 7.722 7.722 8.337 -0.615 18805 308 1 . 1 1 68 68 GLU N N 68 120.614 120.614 121.285 -0.671 18805 309 1 . 1 1 68 68 GLU HA H 68 4.087 4.087 4.176 -0.089 18805 310 1 . 1 1 68 68 GLU C C 68 176.803 176.803 176.191 0.612 18805 311 1 . 1 1 68 68 GLU CA C 68 57.076 57.076 56.807 0.269 18805 312 1 . 1 1 68 68 GLU CB C 68 30.099 30.099 29.685 0.414 18805 313 1 . 1 1 68 68 GLU H H 68 8.157 8.157 8.439 -0.282 18805 314 1 . 1 1 69 69 ARG N N 69 120.012 120.012 121.945 -1.933 18805 315 1 . 1 1 69 69 ARG C C 69 176.270 176.270 175.783 0.487 18805 316 1 . 1 1 69 69 ARG CA C 69 66.543 66.543 56.333 10.210 18805 317 1 . 1 1 69 69 ARG CB C 69 32.203 32.203 30.428 1.775 18805 318 1 . 1 1 69 69 ARG H H 69 7.974 7.974 8.364 -0.390 18805 319 1 . 1 1 70 70 PHE HA H 70 4.577 4.577 4.476 0.101 18805 320 1 . 1 1 70 70 PHE CA C 70 58.021 58.021 58.259 -0.238 18805 321 1 . 1 1 70 70 PHE CB C 70 39.295 39.295 39.115 0.180 18805 stop_ save_