data_18852 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18852 _Entry.PDB_ID 2M1A 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 18852 _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 2 2 ALA HA H 2 4.239 4.239 4.266 -0.027 18852 2 1 1 . 1 1 2 2 ALA C C 2 179.180 179.180 179.554 -0.374 18852 3 1 1 . 1 1 2 2 ALA CA C 2 54.532 54.532 54.075 0.457 18852 4 1 1 . 1 1 2 2 ALA CB C 2 18.397 18.397 19.342 -0.945 18852 5 1 1 . 1 1 3 3 MET N N 3 117.814 117.814 117.647 0.167 18852 6 1 1 . 1 1 3 3 MET HA H 3 4.354 4.354 4.239 0.115 18852 7 1 1 . 1 1 3 3 MET C C 3 177.926 177.926 177.814 0.112 18852 8 1 1 . 1 1 3 3 MET CA C 3 57.876 57.876 57.383 0.493 18852 9 1 1 . 1 1 3 3 MET CB C 3 31.673 31.673 32.329 -0.656 18852 10 1 1 . 1 1 3 3 MET H H 3 8.613 8.613 8.145 0.468 18852 11 1 1 . 1 1 4 4 ALA N N 4 122.603 122.603 121.188 1.415 18852 12 1 1 . 1 1 4 4 ALA HA H 4 4.228 4.228 4.080 0.148 18852 13 1 1 . 1 1 4 4 ALA C C 4 179.940 179.940 179.236 0.704 18852 14 1 1 . 1 1 4 4 ALA CA C 4 54.689 54.689 55.392 -0.702 18852 15 1 1 . 1 1 4 4 ALA CB C 4 18.025 18.025 17.997 0.028 18852 16 1 1 . 1 1 4 4 ALA H H 4 8.324 8.324 8.390 -0.066 18852 17 1 1 . 1 1 5 5 THR N N 5 112.671 112.671 111.063 1.608 18852 18 1 1 . 1 1 5 5 THR HA H 5 4.121 4.121 4.072 0.049 18852 19 1 1 . 1 1 5 5 THR C C 5 176.085 176.085 176.497 -0.412 18852 20 1 1 . 1 1 5 5 THR CA C 5 65.053 65.053 65.342 -0.289 18852 21 1 1 . 1 1 5 5 THR CB C 5 68.989 68.989 68.631 0.358 18852 22 1 1 . 1 1 5 5 THR H H 5 7.966 7.966 7.678 0.288 18852 23 1 1 . 1 1 6 6 ARG N N 6 122.300 122.300 121.898 0.402 18852 24 1 1 . 1 1 6 6 ARG HA H 6 4.057 4.057 4.059 -0.002 18852 25 1 1 . 1 1 6 6 ARG C C 6 178.983 178.983 178.582 0.401 18852 26 1 1 . 1 1 6 6 ARG CA C 6 59.963 59.963 59.099 0.864 18852 27 1 1 . 1 1 6 6 ARG CB C 6 29.853 29.853 29.767 0.086 18852 28 1 1 . 1 1 6 6 ARG H H 6 8.244 8.244 7.368 0.876 18852 29 1 1 . 1 1 7 7 GLN N N 7 118.940 118.940 118.137 0.803 18852 30 1 1 . 1 1 7 7 GLN HA H 7 4.058 4.058 4.128 -0.070 18852 31 1 1 . 1 1 7 7 GLN C C 7 177.997 177.997 178.036 -0.039 18852 32 1 1 . 1 1 7 7 GLN CA C 7 58.735 58.735 58.121 0.614 18852 33 1 1 . 1 1 7 7 GLN CB C 7 28.188 28.188 28.362 -0.174 18852 34 1 1 . 1 1 7 7 GLN H H 7 8.424 8.424 7.852 0.572 18852 35 1 1 . 1 1 8 8 ALA N N 8 122.920 122.920 122.942 -0.022 18852 36 1 1 . 1 1 8 8 ALA HA H 8 4.217 4.217 4.006 0.211 18852 37 1 1 . 1 1 8 8 ALA C C 8 180.837 180.837 179.531 1.306 18852 38 1 1 . 1 1 8 8 ALA CA C 8 55.319 55.319 54.858 0.461 18852 39 1 1 . 1 1 8 8 ALA CB C 8 17.695 17.695 18.235 -0.540 18852 40 1 1 . 1 1 8 8 ALA H H 8 8.306 8.306 7.666 0.640 18852 41 1 1 . 1 1 9 9 ARG N N 9 118.721 118.721 117.849 0.872 18852 42 1 1 . 1 1 9 9 ARG HA H 9 4.050 4.050 4.038 0.012 18852 43 1 1 . 1 1 9 9 ARG C C 9 178.843 178.843 178.874 -0.031 18852 44 1 1 . 1 1 9 9 ARG CA C 9 59.721 59.721 58.913 0.808 18852 45 1 1 . 1 1 9 9 ARG CB C 9 30.168 30.168 30.058 0.110 18852 46 1 1 . 1 1 9 9 ARG H H 9 8.263 8.263 7.974 0.289 18852 47 1 1 . 1 1 10 10 ARG N N 10 120.338 120.338 117.970 2.368 18852 48 1 1 . 1 1 10 10 ARG HA H 10 4.074 4.074 4.239 -0.165 18852 49 1 1 . 1 1 10 10 ARG C C 10 179.024 179.024 178.298 0.726 18852 50 1 1 . 1 1 10 10 ARG CA C 10 59.542 59.542 59.047 0.495 18852 51 1 1 . 1 1 10 10 ARG CB C 10 29.904 29.904 29.983 -0.079 18852 52 1 1 . 1 1 10 10 ARG H H 10 8.251 8.251 7.716 0.535 18852 53 1 1 . 1 1 11 11 ASN N N 11 118.863 118.863 119.281 -0.418 18852 54 1 1 . 1 1 11 11 ASN HA H 11 4.543 4.543 4.360 0.183 18852 55 1 1 . 1 1 11 11 ASN C C 11 177.279 177.279 177.023 0.256 18852 56 1 1 . 1 1 11 11 ASN CA C 11 55.979 55.979 56.879 -0.900 18852 57 1 1 . 1 1 11 11 ASN CB C 11 37.983 37.983 38.372 -0.389 18852 58 1 1 . 1 1 11 11 ASN H H 11 8.551 8.551 7.822 0.729 18852 59 1 1 . 1 1 12 12 ARG N N 12 120.917 120.917 119.131 1.786 18852 60 1 1 . 1 1 12 12 ARG HA H 12 4.079 4.079 3.998 0.081 18852 61 1 1 . 1 1 12 12 ARG C C 12 178.488 178.488 178.758 -0.270 18852 62 1 1 . 1 1 12 12 ARG CA C 12 59.787 59.787 58.837 0.950 18852 63 1 1 . 1 1 12 12 ARG CB C 12 29.937 29.937 29.769 0.168 18852 64 1 1 . 1 1 12 12 ARG H H 12 8.253 8.253 8.062 0.191 18852 65 1 1 . 1 1 13 13 ARG N N 13 119.263 119.263 119.121 0.142 18852 66 1 1 . 1 1 13 13 ARG HA H 13 4.189 4.189 4.288 -0.099 18852 67 1 1 . 1 1 13 13 ARG C C 13 178.479 178.479 178.887 -0.408 18852 68 1 1 . 1 1 13 13 ARG CA C 13 59.572 59.572 59.221 0.351 18852 69 1 1 . 1 1 13 13 ARG CB C 13 30.067 30.067 30.203 -0.136 18852 70 1 1 . 1 1 13 13 ARG H H 13 8.167 8.167 7.560 0.607 18852 71 1 1 . 1 1 14 14 ARG N N 14 119.756 119.756 120.345 -0.589 18852 72 1 1 . 1 1 14 14 ARG HA H 14 4.141 4.141 4.124 0.017 18852 73 1 1 . 1 1 14 14 ARG C C 14 178.817 178.817 178.102 0.715 18852 74 1 1 . 1 1 14 14 ARG CA C 14 59.695 59.695 59.119 0.576 18852 75 1 1 . 1 1 14 14 ARG CB C 14 29.812 29.812 30.174 -0.362 18852 76 1 1 . 1 1 14 14 ARG H H 14 8.285 8.285 8.215 0.070 18852 77 1 1 . 1 1 15 15 ARG N N 15 119.026 119.026 119.985 -0.959 18852 78 1 1 . 1 1 15 15 ARG HA H 15 4.158 4.158 4.089 0.069 18852 79 1 1 . 1 1 15 15 ARG C C 15 178.909 178.909 178.630 0.279 18852 80 1 1 . 1 1 15 15 ARG CA C 15 59.233 59.233 59.465 -0.231 18852 81 1 1 . 1 1 15 15 ARG CB C 15 29.772 29.772 29.798 -0.026 18852 82 1 1 . 1 1 15 15 ARG H H 15 8.278 8.278 8.223 0.055 18852 83 1 1 . 1 1 16 16 TRP N N 16 121.055 121.055 118.009 3.046 18852 84 1 1 . 1 1 16 16 TRP HA H 16 4.389 4.389 4.489 -0.100 18852 85 1 1 . 1 1 16 16 TRP C C 16 178.621 178.621 178.257 0.364 18852 86 1 1 . 1 1 16 16 TRP CA C 16 61.013 61.013 58.503 2.510 18852 87 1 1 . 1 1 16 16 TRP CB C 16 28.796 28.796 29.448 -0.652 18852 88 1 1 . 1 1 16 16 TRP H H 16 8.464 8.464 7.441 1.022 18852 89 1 1 . 1 1 17 17 ARG N N 17 119.474 119.474 120.349 -0.875 18852 90 1 1 . 1 1 17 17 ARG HA H 17 3.910 3.910 3.998 -0.088 18852 91 1 1 . 1 1 17 17 ARG C C 17 179.120 179.120 178.393 0.727 18852 92 1 1 . 1 1 17 17 ARG CA C 17 59.627 59.627 59.140 0.487 18852 93 1 1 . 1 1 17 17 ARG CB C 17 29.907 29.907 29.861 0.045 18852 94 1 1 . 1 1 17 17 ARG H H 17 8.537 8.537 7.650 0.887 18852 95 1 1 . 1 1 18 18 GLU N N 18 119.223 119.223 117.606 1.617 18852 96 1 1 . 1 1 18 18 GLU HA H 18 4.061 4.061 4.102 -0.041 18852 97 1 1 . 1 1 18 18 GLU C C 18 179.163 179.163 178.989 0.174 18852 98 1 1 . 1 1 18 18 GLU CA C 18 59.138 59.138 58.892 0.246 18852 99 1 1 . 1 1 18 18 GLU CB C 18 29.135 29.135 29.055 0.080 18852 100 1 1 . 1 1 18 18 GLU H H 18 8.346 8.346 8.129 0.217 18852 101 1 1 . 1 1 19 19 ARG N N 19 119.942 119.942 119.049 0.893 18852 102 1 1 . 1 1 19 19 ARG HA H 19 4.046 4.046 4.148 -0.102 18852 103 1 1 . 1 1 19 19 ARG C C 19 178.634 178.634 179.141 -0.507 18852 104 1 1 . 1 1 19 19 ARG CA C 19 59.016 59.016 58.234 0.782 18852 105 1 1 . 1 1 19 19 ARG CB C 19 29.371 29.371 29.850 -0.479 18852 106 1 1 . 1 1 19 19 ARG H H 19 8.104 8.104 7.560 0.544 18852 107 1 1 . 1 1 20 20 GLN N N 20 118.373 118.373 119.122 -0.749 18852 108 1 1 . 1 1 20 20 GLN HA H 20 3.892 3.892 4.175 -0.283 18852 109 1 1 . 1 1 20 20 GLN C C 20 178.465 178.465 177.558 0.907 18852 110 1 1 . 1 1 20 20 GLN CA C 20 58.170 58.170 58.635 -0.465 18852 111 1 1 . 1 1 20 20 GLN CB C 20 28.113 28.113 28.548 -0.435 18852 112 1 1 . 1 1 20 20 GLN H H 20 8.044 8.044 7.923 0.121 18852 113 1 1 . 1 1 21 21 ARG N N 21 119.374 119.374 119.690 -0.316 18852 114 1 1 . 1 1 21 21 ARG HA H 21 4.034 4.034 4.029 0.005 18852 115 1 1 . 1 1 21 21 ARG C C 21 178.423 178.423 178.297 0.126 18852 116 1 1 . 1 1 21 21 ARG CA C 21 58.765 58.765 59.082 -0.317 18852 117 1 1 . 1 1 21 21 ARG CB C 21 29.676 29.676 29.981 -0.305 18852 118 1 1 . 1 1 21 21 ARG H H 21 8.079 8.079 7.592 0.487 18852 119 1 1 . 1 1 22 22 ALA N N 22 121.393 121.393 120.446 0.947 18852 120 1 1 . 1 1 22 22 ALA HA H 22 4.146 4.146 4.144 0.002 18852 121 1 1 . 1 1 22 22 ALA C C 22 179.577 179.577 178.319 1.258 18852 122 1 1 . 1 1 22 22 ALA CA C 22 54.267 54.267 54.911 -0.644 18852 123 1 1 . 1 1 22 22 ALA CB C 22 17.831 17.831 18.485 -0.654 18852 124 1 1 . 1 1 22 22 ALA H H 22 8.026 8.026 7.604 0.422 18852 125 1 1 . 1 1 23 23 ALA N N 23 119.867 119.867 120.612 -0.745 18852 126 1 1 . 1 1 23 23 ALA HA H 23 4.158 4.158 4.254 -0.096 18852 127 1 1 . 1 1 23 23 ALA C C 23 178.616 178.616 179.527 -0.911 18852 128 1 1 . 1 1 23 23 ALA CA C 23 53.714 53.714 53.826 -0.112 18852 129 1 1 . 1 1 23 23 ALA CB C 23 18.045 18.045 18.818 -0.773 18852 130 1 1 . 1 1 23 23 ALA H H 23 7.938 7.938 7.628 0.310 18852 131 1 1 . 1 1 24 24 ALA N N 24 119.652 119.652 121.548 -1.896 18852 132 1 1 . 1 1 24 24 ALA HA H 24 4.291 4.291 4.125 0.166 18852 133 1 1 . 1 1 24 24 ALA C C 24 177.528 177.528 177.635 -0.107 18852 134 1 1 . 1 1 24 24 ALA CA C 24 52.706 52.706 53.611 -0.905 18852 135 1 1 . 1 1 24 24 ALA CB C 24 18.591 18.591 19.262 -0.671 18852 136 1 1 . 1 1 24 24 ALA H H 24 7.693 7.693 8.412 -0.719 18852 137 1 1 . 1 1 25 25 ALA N N 25 121.574 121.574 120.317 1.257 18852 138 1 1 . 1 1 25 25 ALA HA H 25 4.329 4.329 4.599 -0.270 18852 139 1 1 . 1 1 25 25 ALA C C 25 176.649 176.649 175.918 0.731 18852 140 1 1 . 1 1 25 25 ALA CA C 25 52.566 52.566 50.745 1.821 18852 141 1 1 . 1 1 25 25 ALA CB C 25 18.630 18.630 20.643 -2.013 18852 142 1 1 . 1 1 25 25 ALA H H 25 7.679 7.679 7.742 -0.062 18852 143 1 2 . 1 1 2 2 ALA HA H 2 4.239 4.239 4.164 0.075 18852 144 1 2 . 1 1 2 2 ALA C C 2 179.180 179.180 179.989 -0.809 18852 145 1 2 . 1 1 2 2 ALA CA C 2 54.532 54.532 54.320 0.212 18852 146 1 2 . 1 1 2 2 ALA CB C 2 18.397 18.397 19.009 -0.612 18852 147 1 2 . 1 1 3 3 MET N N 3 117.814 117.814 114.728 3.086 18852 148 1 2 . 1 1 3 3 MET HA H 3 4.354 4.354 4.282 0.072 18852 149 1 2 . 1 1 3 3 MET C C 3 177.926 177.926 177.249 0.677 18852 150 1 2 . 1 1 3 3 MET CA C 3 57.876 57.876 57.835 0.041 18852 151 1 2 . 1 1 3 3 MET CB C 3 31.673 31.673 31.963 -0.290 18852 152 1 2 . 1 1 3 3 MET H H 3 8.613 8.613 8.005 0.608 18852 153 1 2 . 1 1 4 4 ALA N N 4 122.603 122.603 122.788 -0.185 18852 154 1 2 . 1 1 4 4 ALA HA H 4 4.228 4.228 4.121 0.107 18852 155 1 2 . 1 1 4 4 ALA C C 4 179.940 179.940 179.465 0.475 18852 156 1 2 . 1 1 4 4 ALA CA C 4 54.689 54.689 54.609 0.080 18852 157 1 2 . 1 1 4 4 ALA CB C 4 18.025 18.025 18.630 -0.605 18852 158 1 2 . 1 1 4 4 ALA H H 4 8.324 8.324 7.448 0.876 18852 159 1 2 . 1 1 5 5 THR N N 5 112.671 112.671 111.758 0.913 18852 160 1 2 . 1 1 5 5 THR HA H 5 4.121 4.121 4.005 0.116 18852 161 1 2 . 1 1 5 5 THR C C 5 176.085 176.085 176.431 -0.346 18852 162 1 2 . 1 1 5 5 THR CA C 5 65.053 65.053 65.170 -0.117 18852 163 1 2 . 1 1 5 5 THR CB C 5 68.989 68.989 68.525 0.464 18852 164 1 2 . 1 1 5 5 THR H H 5 7.966 7.966 7.737 0.229 18852 165 1 2 . 1 1 6 6 ARG N N 6 122.300 122.300 122.202 0.098 18852 166 1 2 . 1 1 6 6 ARG HA H 6 4.057 4.057 3.899 0.158 18852 167 1 2 . 1 1 6 6 ARG C C 6 178.983 178.983 178.439 0.544 18852 168 1 2 . 1 1 6 6 ARG CA C 6 59.963 59.963 59.921 0.042 18852 169 1 2 . 1 1 6 6 ARG CB C 6 29.853 29.853 29.964 -0.111 18852 170 1 2 . 1 1 6 6 ARG H H 6 8.244 8.244 7.590 0.654 18852 171 1 2 . 1 1 7 7 GLN N N 7 118.940 118.940 118.207 0.733 18852 172 1 2 . 1 1 7 7 GLN HA H 7 4.058 4.058 4.143 -0.085 18852 173 1 2 . 1 1 7 7 GLN C C 7 177.997 177.997 177.534 0.463 18852 174 1 2 . 1 1 7 7 GLN CA C 7 58.735 58.735 58.317 0.418 18852 175 1 2 . 1 1 7 7 GLN CB C 7 28.188 28.188 28.610 -0.422 18852 176 1 2 . 1 1 7 7 GLN H H 7 8.424 8.424 7.835 0.589 18852 177 1 2 . 1 1 8 8 ALA N N 8 122.920 122.920 123.652 -0.732 18852 178 1 2 . 1 1 8 8 ALA HA H 8 4.217 4.217 3.967 0.250 18852 179 1 2 . 1 1 8 8 ALA C C 8 180.837 180.837 179.837 1.000 18852 180 1 2 . 1 1 8 8 ALA CA C 8 55.319 55.319 55.275 0.044 18852 181 1 2 . 1 1 8 8 ALA CB C 8 17.695 17.695 18.072 -0.377 18852 182 1 2 . 1 1 8 8 ALA H H 8 8.306 8.306 7.574 0.732 18852 183 1 2 . 1 1 9 9 ARG N N 9 118.721 118.721 117.546 1.175 18852 184 1 2 . 1 1 9 9 ARG HA H 9 4.050 4.050 4.094 -0.044 18852 185 1 2 . 1 1 9 9 ARG C C 9 178.843 178.843 178.789 0.054 18852 186 1 2 . 1 1 9 9 ARG CA C 9 59.721 59.721 58.403 1.318 18852 187 1 2 . 1 1 9 9 ARG CB C 9 30.168 30.168 29.858 0.310 18852 188 1 2 . 1 1 9 9 ARG H H 9 8.263 8.263 8.102 0.161 18852 189 1 2 . 1 1 10 10 ARG N N 10 120.338 120.338 119.530 0.808 18852 190 1 2 . 1 1 10 10 ARG HA H 10 4.074 4.074 4.151 -0.077 18852 191 1 2 . 1 1 10 10 ARG C C 10 179.024 179.024 178.397 0.627 18852 192 1 2 . 1 1 10 10 ARG CA C 10 59.542 59.542 59.107 0.435 18852 193 1 2 . 1 1 10 10 ARG CB C 10 29.904 29.904 30.027 -0.123 18852 194 1 2 . 1 1 10 10 ARG H H 10 8.251 8.251 7.544 0.707 18852 195 1 2 . 1 1 11 11 ASN N N 11 118.863 118.863 118.698 0.165 18852 196 1 2 . 1 1 11 11 ASN HA H 11 4.543 4.543 4.601 -0.058 18852 197 1 2 . 1 1 11 11 ASN C C 11 177.279 177.279 177.369 -0.090 18852 198 1 2 . 1 1 11 11 ASN CA C 11 55.979 55.979 55.701 0.278 18852 199 1 2 . 1 1 11 11 ASN CB C 11 37.983 37.983 37.896 0.087 18852 200 1 2 . 1 1 11 11 ASN H H 11 8.551 8.551 8.287 0.264 18852 201 1 2 . 1 1 12 12 ARG N N 12 120.917 120.917 120.817 0.100 18852 202 1 2 . 1 1 12 12 ARG HA H 12 4.079 4.079 4.012 0.067 18852 203 1 2 . 1 1 12 12 ARG C C 12 178.488 178.488 178.748 -0.260 18852 204 1 2 . 1 1 12 12 ARG CA C 12 59.787 59.787 59.554 0.233 18852 205 1 2 . 1 1 12 12 ARG CB C 12 29.937 29.937 30.006 -0.069 18852 206 1 2 . 1 1 12 12 ARG H H 12 8.253 8.253 8.096 0.157 18852 207 1 2 . 1 1 13 13 ARG N N 13 119.263 119.263 117.632 1.631 18852 208 1 2 . 1 1 13 13 ARG HA H 13 4.189 4.189 4.241 -0.052 18852 209 1 2 . 1 1 13 13 ARG C C 13 178.479 178.479 178.628 -0.149 18852 210 1 2 . 1 1 13 13 ARG CA C 13 59.572 59.572 58.593 0.979 18852 211 1 2 . 1 1 13 13 ARG CB C 13 30.067 30.067 29.748 0.319 18852 212 1 2 . 1 1 13 13 ARG H H 13 8.167 8.167 7.701 0.466 18852 213 1 2 . 1 1 14 14 ARG N N 14 119.756 119.756 121.060 -1.304 18852 214 1 2 . 1 1 14 14 ARG HA H 14 4.141 4.141 4.105 0.036 18852 215 1 2 . 1 1 14 14 ARG C C 14 178.817 178.817 178.567 0.250 18852 216 1 2 . 1 1 14 14 ARG CA C 14 59.695 59.695 59.259 0.436 18852 217 1 2 . 1 1 14 14 ARG CB C 14 29.812 29.812 30.139 -0.327 18852 218 1 2 . 1 1 14 14 ARG H H 14 8.285 8.285 7.729 0.556 18852 219 1 2 . 1 1 15 15 ARG N N 15 119.026 119.026 118.519 0.507 18852 220 1 2 . 1 1 15 15 ARG HA H 15 4.158 4.158 4.007 0.151 18852 221 1 2 . 1 1 15 15 ARG C C 15 178.909 178.909 178.993 -0.084 18852 222 1 2 . 1 1 15 15 ARG CA C 15 59.233 59.233 59.259 -0.026 18852 223 1 2 . 1 1 15 15 ARG CB C 15 29.772 29.772 29.846 -0.074 18852 224 1 2 . 1 1 15 15 ARG H H 15 8.278 8.278 8.464 -0.186 18852 225 1 2 . 1 1 16 16 TRP N N 16 121.055 121.055 119.976 1.079 18852 226 1 2 . 1 1 16 16 TRP HA H 16 4.389 4.389 4.472 -0.083 18852 227 1 2 . 1 1 16 16 TRP C C 16 178.621 178.621 177.635 0.986 18852 228 1 2 . 1 1 16 16 TRP CA C 16 61.013 61.013 59.892 1.121 18852 229 1 2 . 1 1 16 16 TRP CB C 16 28.796 28.796 29.373 -0.577 18852 230 1 2 . 1 1 16 16 TRP H H 16 8.464 8.464 7.671 0.793 18852 231 1 2 . 1 1 17 17 ARG N N 17 119.474 119.474 119.634 -0.160 18852 232 1 2 . 1 1 17 17 ARG HA H 17 3.910 3.910 3.825 0.085 18852 233 1 2 . 1 1 17 17 ARG C C 17 179.120 179.120 178.367 0.753 18852 234 1 2 . 1 1 17 17 ARG CA C 17 59.627 59.627 58.818 0.809 18852 235 1 2 . 1 1 17 17 ARG CB C 17 29.907 29.907 29.893 0.014 18852 236 1 2 . 1 1 17 17 ARG H H 17 8.537 8.537 7.868 0.669 18852 237 1 2 . 1 1 18 18 GLU N N 18 119.223 119.223 118.023 1.200 18852 238 1 2 . 1 1 18 18 GLU HA H 18 4.061 4.061 4.012 0.049 18852 239 1 2 . 1 1 18 18 GLU C C 18 179.163 179.163 178.757 0.406 18852 240 1 2 . 1 1 18 18 GLU CA C 18 59.138 59.138 58.981 0.157 18852 241 1 2 . 1 1 18 18 GLU CB C 18 29.135 29.135 29.449 -0.314 18852 242 1 2 . 1 1 18 18 GLU H H 18 8.346 8.346 7.870 0.476 18852 243 1 2 . 1 1 19 19 ARG N N 19 119.942 119.942 118.247 1.695 18852 244 1 2 . 1 1 19 19 ARG HA H 19 4.046 4.046 4.142 -0.096 18852 245 1 2 . 1 1 19 19 ARG C C 19 178.634 178.634 178.766 -0.132 18852 246 1 2 . 1 1 19 19 ARG CA C 19 59.016 59.016 58.507 0.509 18852 247 1 2 . 1 1 19 19 ARG CB C 19 29.371 29.371 30.367 -0.996 18852 248 1 2 . 1 1 19 19 ARG H H 19 8.104 8.104 7.766 0.338 18852 249 1 2 . 1 1 20 20 GLN N N 20 118.373 118.373 119.799 -1.426 18852 250 1 2 . 1 1 20 20 GLN HA H 20 3.892 3.892 4.024 -0.132 18852 251 1 2 . 1 1 20 20 GLN C C 20 178.465 178.465 177.828 0.637 18852 252 1 2 . 1 1 20 20 GLN CA C 20 58.170 58.170 58.638 -0.468 18852 253 1 2 . 1 1 20 20 GLN CB C 20 28.113 28.113 28.236 -0.123 18852 254 1 2 . 1 1 20 20 GLN H H 20 8.044 8.044 7.714 0.330 18852 255 1 2 . 1 1 21 21 ARG N N 21 119.374 119.374 120.094 -0.720 18852 256 1 2 . 1 1 21 21 ARG HA H 21 4.034 4.034 3.966 0.068 18852 257 1 2 . 1 1 21 21 ARG C C 21 178.423 178.423 178.278 0.145 18852 258 1 2 . 1 1 21 21 ARG CA C 21 58.765 58.765 58.642 0.123 18852 259 1 2 . 1 1 21 21 ARG CB C 21 29.676 29.676 29.544 0.132 18852 260 1 2 . 1 1 21 21 ARG H H 21 8.079 8.079 7.683 0.396 18852 261 1 2 . 1 1 22 22 ALA N N 22 121.393 121.393 120.208 1.185 18852 262 1 2 . 1 1 22 22 ALA HA H 22 4.146 4.146 4.190 -0.044 18852 263 1 2 . 1 1 22 22 ALA C C 22 179.577 179.577 178.363 1.214 18852 264 1 2 . 1 1 22 22 ALA CA C 22 54.267 54.267 54.877 -0.610 18852 265 1 2 . 1 1 22 22 ALA CB C 22 17.831 17.831 18.533 -0.702 18852 266 1 2 . 1 1 22 22 ALA H H 22 8.026 8.026 7.522 0.504 18852 267 1 2 . 1 1 23 23 ALA N N 23 119.867 119.867 120.755 -0.888 18852 268 1 2 . 1 1 23 23 ALA HA H 23 4.158 4.158 4.225 -0.067 18852 269 1 2 . 1 1 23 23 ALA C C 23 178.616 178.616 179.466 -0.850 18852 270 1 2 . 1 1 23 23 ALA CA C 23 53.714 53.714 53.877 -0.163 18852 271 1 2 . 1 1 23 23 ALA CB C 23 18.045 18.045 18.792 -0.747 18852 272 1 2 . 1 1 23 23 ALA H H 23 7.938 7.938 7.614 0.324 18852 273 1 2 . 1 1 24 24 ALA N N 24 119.652 119.652 121.372 -1.720 18852 274 1 2 . 1 1 24 24 ALA HA H 24 4.291 4.291 4.113 0.178 18852 275 1 2 . 1 1 24 24 ALA C C 24 177.528 177.528 177.657 -0.129 18852 276 1 2 . 1 1 24 24 ALA CA C 24 52.706 52.706 53.515 -0.809 18852 277 1 2 . 1 1 24 24 ALA CB C 24 18.591 18.591 19.249 -0.658 18852 278 1 2 . 1 1 24 24 ALA H H 24 7.693 7.693 8.386 -0.693 18852 279 1 2 . 1 1 25 25 ALA N N 25 121.574 121.574 120.792 0.782 18852 280 1 2 . 1 1 25 25 ALA HA H 25 4.329 4.329 4.539 -0.210 18852 281 1 2 . 1 1 25 25 ALA C C 25 176.649 176.649 176.180 0.469 18852 282 1 2 . 1 1 25 25 ALA CA C 25 52.566 52.566 50.708 1.858 18852 283 1 2 . 1 1 25 25 ALA CB C 25 18.630 18.630 19.990 -1.360 18852 284 1 2 . 1 1 25 25 ALA H H 25 7.679 7.679 7.662 0.017 18852 285 1 3 . 1 1 2 2 ALA HA H 2 4.239 4.239 4.138 0.101 18852 286 1 3 . 1 1 2 2 ALA C C 2 179.180 179.180 179.723 -0.543 18852 287 1 3 . 1 1 2 2 ALA CA C 2 54.532 54.532 55.052 -0.520 18852 288 1 3 . 1 1 2 2 ALA CB C 2 18.397 18.397 19.168 -0.771 18852 289 1 3 . 1 1 3 3 MET N N 3 117.814 117.814 118.227 -0.413 18852 290 1 3 . 1 1 3 3 MET HA H 3 4.354 4.354 4.268 0.086 18852 291 1 3 . 1 1 3 3 MET C C 3 177.926 177.926 177.519 0.407 18852 292 1 3 . 1 1 3 3 MET CA C 3 57.876 57.876 56.681 1.195 18852 293 1 3 . 1 1 3 3 MET CB C 3 31.673 31.673 32.088 -0.415 18852 294 1 3 . 1 1 3 3 MET H H 3 8.613 8.613 8.207 0.406 18852 295 1 3 . 1 1 4 4 ALA N N 4 122.603 122.603 121.468 1.135 18852 296 1 3 . 1 1 4 4 ALA HA H 4 4.228 4.228 4.217 0.011 18852 297 1 3 . 1 1 4 4 ALA C C 4 179.940 179.940 179.553 0.387 18852 298 1 3 . 1 1 4 4 ALA CA C 4 54.689 54.689 55.295 -0.606 18852 299 1 3 . 1 1 4 4 ALA CB C 4 18.025 18.025 18.093 -0.068 18852 300 1 3 . 1 1 4 4 ALA H H 4 8.324 8.324 8.035 0.289 18852 301 1 3 . 1 1 5 5 THR N N 5 112.671 112.671 113.492 -0.821 18852 302 1 3 . 1 1 5 5 THR HA H 5 4.121 4.121 3.998 0.123 18852 303 1 3 . 1 1 5 5 THR C C 5 176.085 176.085 176.475 -0.390 18852 304 1 3 . 1 1 5 5 THR CA C 5 65.053 65.053 65.607 -0.554 18852 305 1 3 . 1 1 5 5 THR CB C 5 68.989 68.989 68.970 0.019 18852 306 1 3 . 1 1 5 5 THR H H 5 7.966 7.966 8.474 -0.508 18852 307 1 3 . 1 1 6 6 ARG N N 6 122.300 122.300 119.434 2.866 18852 308 1 3 . 1 1 6 6 ARG HA H 6 4.057 4.057 4.253 -0.196 18852 309 1 3 . 1 1 6 6 ARG C C 6 178.983 178.983 178.617 0.366 18852 310 1 3 . 1 1 6 6 ARG CA C 6 59.963 59.963 58.486 1.477 18852 311 1 3 . 1 1 6 6 ARG CB C 6 29.853 29.853 30.101 -0.248 18852 312 1 3 . 1 1 6 6 ARG H H 6 8.244 8.244 7.490 0.754 18852 313 1 3 . 1 1 7 7 GLN N N 7 118.940 118.940 119.793 -0.853 18852 314 1 3 . 1 1 7 7 GLN HA H 7 4.058 4.058 4.083 -0.025 18852 315 1 3 . 1 1 7 7 GLN C C 7 177.997 177.997 177.943 0.054 18852 316 1 3 . 1 1 7 7 GLN CA C 7 58.735 58.735 58.461 0.274 18852 317 1 3 . 1 1 7 7 GLN CB C 7 28.188 28.188 28.289 -0.101 18852 318 1 3 . 1 1 7 7 GLN H H 7 8.424 8.424 7.929 0.495 18852 319 1 3 . 1 1 8 8 ALA N N 8 122.920 122.920 122.216 0.704 18852 320 1 3 . 1 1 8 8 ALA HA H 8 4.217 4.217 3.994 0.223 18852 321 1 3 . 1 1 8 8 ALA C C 8 180.837 180.837 179.711 1.126 18852 322 1 3 . 1 1 8 8 ALA CA C 8 55.319 55.319 54.889 0.430 18852 323 1 3 . 1 1 8 8 ALA CB C 8 17.695 17.695 18.290 -0.595 18852 324 1 3 . 1 1 8 8 ALA H H 8 8.306 8.306 8.401 -0.095 18852 325 1 3 . 1 1 9 9 ARG N N 9 118.721 118.721 117.579 1.142 18852 326 1 3 . 1 1 9 9 ARG HA H 9 4.050 4.050 4.175 -0.125 18852 327 1 3 . 1 1 9 9 ARG C C 9 178.843 178.843 178.735 0.108 18852 328 1 3 . 1 1 9 9 ARG CA C 9 59.721 59.721 58.260 1.461 18852 329 1 3 . 1 1 9 9 ARG CB C 9 30.168 30.168 30.125 0.043 18852 330 1 3 . 1 1 9 9 ARG H H 9 8.263 8.263 8.045 0.218 18852 331 1 3 . 1 1 10 10 ARG N N 10 120.338 120.338 119.463 0.875 18852 332 1 3 . 1 1 10 10 ARG HA H 10 4.074 4.074 4.199 -0.125 18852 333 1 3 . 1 1 10 10 ARG C C 10 179.024 179.024 178.643 0.381 18852 334 1 3 . 1 1 10 10 ARG CA C 10 59.542 59.542 59.286 0.256 18852 335 1 3 . 1 1 10 10 ARG CB C 10 29.904 29.904 30.052 -0.148 18852 336 1 3 . 1 1 10 10 ARG H H 10 8.251 8.251 8.074 0.177 18852 337 1 3 . 1 1 11 11 ASN N N 11 118.863 118.863 118.181 0.682 18852 338 1 3 . 1 1 11 11 ASN HA H 11 4.543 4.543 4.626 -0.083 18852 339 1 3 . 1 1 11 11 ASN C C 11 177.279 177.279 177.152 0.127 18852 340 1 3 . 1 1 11 11 ASN CA C 11 55.979 55.979 55.385 0.595 18852 341 1 3 . 1 1 11 11 ASN CB C 11 37.983 37.983 38.273 -0.290 18852 342 1 3 . 1 1 11 11 ASN H H 11 8.551 8.551 8.297 0.254 18852 343 1 3 . 1 1 12 12 ARG N N 12 120.917 120.917 120.913 0.004 18852 344 1 3 . 1 1 12 12 ARG HA H 12 4.079 4.079 4.004 0.075 18852 345 1 3 . 1 1 12 12 ARG C C 12 178.488 178.488 177.876 0.612 18852 346 1 3 . 1 1 12 12 ARG CA C 12 59.787 59.787 58.925 0.862 18852 347 1 3 . 1 1 12 12 ARG CB C 12 29.937 29.937 30.439 -0.502 18852 348 1 3 . 1 1 12 12 ARG H H 12 8.253 8.253 8.139 0.115 18852 349 1 3 . 1 1 13 13 ARG N N 13 119.263 119.263 117.302 1.961 18852 350 1 3 . 1 1 13 13 ARG HA H 13 4.189 4.189 4.327 -0.138 18852 351 1 3 . 1 1 13 13 ARG C C 13 178.479 178.479 178.476 0.003 18852 352 1 3 . 1 1 13 13 ARG CA C 13 59.572 59.572 58.649 0.923 18852 353 1 3 . 1 1 13 13 ARG CB C 13 30.067 30.067 29.738 0.329 18852 354 1 3 . 1 1 13 13 ARG H H 13 8.167 8.167 7.561 0.606 18852 355 1 3 . 1 1 14 14 ARG N N 14 119.756 119.756 120.294 -0.538 18852 356 1 3 . 1 1 14 14 ARG HA H 14 4.141 4.141 4.029 0.112 18852 357 1 3 . 1 1 14 14 ARG C C 14 178.817 178.817 178.523 0.294 18852 358 1 3 . 1 1 14 14 ARG CA C 14 59.695 59.695 59.460 0.235 18852 359 1 3 . 1 1 14 14 ARG CB C 14 29.812 29.812 29.873 -0.061 18852 360 1 3 . 1 1 14 14 ARG H H 14 8.285 8.285 7.785 0.500 18852 361 1 3 . 1 1 15 15 ARG N N 15 119.026 119.026 119.022 0.004 18852 362 1 3 . 1 1 15 15 ARG HA H 15 4.158 4.158 3.941 0.217 18852 363 1 3 . 1 1 15 15 ARG C C 15 178.909 178.909 178.629 0.280 18852 364 1 3 . 1 1 15 15 ARG CA C 15 59.233 59.233 59.130 0.103 18852 365 1 3 . 1 1 15 15 ARG CB C 15 29.772 29.772 29.250 0.522 18852 366 1 3 . 1 1 15 15 ARG H H 15 8.278 8.278 7.537 0.741 18852 367 1 3 . 1 1 16 16 TRP N N 16 121.055 121.055 119.816 1.239 18852 368 1 3 . 1 1 16 16 TRP HA H 16 4.389 4.389 4.374 0.015 18852 369 1 3 . 1 1 16 16 TRP C C 16 178.621 178.621 178.807 -0.186 18852 370 1 3 . 1 1 16 16 TRP CA C 16 61.013 61.013 58.933 2.080 18852 371 1 3 . 1 1 16 16 TRP CB C 16 28.796 28.796 29.022 -0.226 18852 372 1 3 . 1 1 16 16 TRP H H 16 8.464 8.464 7.376 1.088 18852 373 1 3 . 1 1 17 17 ARG N N 17 119.474 119.474 118.985 0.489 18852 374 1 3 . 1 1 17 17 ARG HA H 17 3.910 3.910 4.024 -0.114 18852 375 1 3 . 1 1 17 17 ARG C C 17 179.120 179.120 178.784 0.336 18852 376 1 3 . 1 1 17 17 ARG CA C 17 59.627 59.627 58.915 0.712 18852 377 1 3 . 1 1 17 17 ARG CB C 17 29.907 29.907 29.729 0.178 18852 378 1 3 . 1 1 17 17 ARG H H 17 8.537 8.537 7.664 0.873 18852 379 1 3 . 1 1 18 18 GLU N N 18 119.223 119.223 118.457 0.766 18852 380 1 3 . 1 1 18 18 GLU HA H 18 4.061 4.061 4.088 -0.027 18852 381 1 3 . 1 1 18 18 GLU C C 18 179.163 179.163 179.002 0.161 18852 382 1 3 . 1 1 18 18 GLU CA C 18 59.138 59.138 58.955 0.183 18852 383 1 3 . 1 1 18 18 GLU CB C 18 29.135 29.135 29.536 -0.401 18852 384 1 3 . 1 1 18 18 GLU H H 18 8.346 8.346 8.434 -0.088 18852 385 1 3 . 1 1 19 19 ARG N N 19 119.942 119.942 119.088 0.854 18852 386 1 3 . 1 1 19 19 ARG HA H 19 4.046 4.046 4.105 -0.059 18852 387 1 3 . 1 1 19 19 ARG C C 19 178.634 178.634 179.147 -0.513 18852 388 1 3 . 1 1 19 19 ARG CA C 19 59.016 59.016 58.775 0.241 18852 389 1 3 . 1 1 19 19 ARG CB C 19 29.371 29.371 30.332 -0.961 18852 390 1 3 . 1 1 19 19 ARG H H 19 8.104 8.104 7.852 0.252 18852 391 1 3 . 1 1 20 20 GLN N N 20 118.373 118.373 118.745 -0.372 18852 392 1 3 . 1 1 20 20 GLN HA H 20 3.892 3.892 4.206 -0.314 18852 393 1 3 . 1 1 20 20 GLN C C 20 178.465 178.465 177.378 1.087 18852 394 1 3 . 1 1 20 20 GLN CA C 20 58.170 58.170 58.314 -0.144 18852 395 1 3 . 1 1 20 20 GLN CB C 20 28.113 28.113 28.578 -0.465 18852 396 1 3 . 1 1 20 20 GLN H H 20 8.044 8.044 7.786 0.258 18852 397 1 3 . 1 1 21 21 ARG N N 21 119.374 119.374 119.713 -0.339 18852 398 1 3 . 1 1 21 21 ARG HA H 21 4.034 4.034 4.041 -0.007 18852 399 1 3 . 1 1 21 21 ARG C C 21 178.423 178.423 178.178 0.245 18852 400 1 3 . 1 1 21 21 ARG CA C 21 58.765 58.765 59.129 -0.364 18852 401 1 3 . 1 1 21 21 ARG CB C 21 29.676 29.676 29.999 -0.323 18852 402 1 3 . 1 1 21 21 ARG H H 21 8.079 8.079 7.629 0.450 18852 403 1 3 . 1 1 22 22 ALA N N 22 121.393 121.393 120.256 1.137 18852 404 1 3 . 1 1 22 22 ALA HA H 22 4.146 4.146 4.157 -0.011 18852 405 1 3 . 1 1 22 22 ALA C C 22 179.577 179.577 178.281 1.296 18852 406 1 3 . 1 1 22 22 ALA CA C 22 54.267 54.267 54.790 -0.523 18852 407 1 3 . 1 1 22 22 ALA CB C 22 17.831 17.831 18.504 -0.673 18852 408 1 3 . 1 1 22 22 ALA H H 22 8.026 8.026 7.519 0.507 18852 409 1 3 . 1 1 23 23 ALA N N 23 119.867 119.867 120.743 -0.876 18852 410 1 3 . 1 1 23 23 ALA HA H 23 4.158 4.158 4.254 -0.096 18852 411 1 3 . 1 1 23 23 ALA C C 23 178.616 178.616 179.482 -0.866 18852 412 1 3 . 1 1 23 23 ALA CA C 23 53.714 53.714 53.868 -0.154 18852 413 1 3 . 1 1 23 23 ALA CB C 23 18.045 18.045 18.844 -0.799 18852 414 1 3 . 1 1 23 23 ALA H H 23 7.938 7.938 7.629 0.309 18852 415 1 3 . 1 1 24 24 ALA N N 24 119.652 119.652 121.320 -1.668 18852 416 1 3 . 1 1 24 24 ALA HA H 24 4.291 4.291 4.148 0.143 18852 417 1 3 . 1 1 24 24 ALA C C 24 177.528 177.528 177.628 -0.100 18852 418 1 3 . 1 1 24 24 ALA CA C 24 52.706 52.706 53.516 -0.810 18852 419 1 3 . 1 1 24 24 ALA CB C 24 18.591 18.591 19.291 -0.700 18852 420 1 3 . 1 1 24 24 ALA H H 24 7.693 7.693 8.444 -0.751 18852 421 1 3 . 1 1 25 25 ALA N N 25 121.574 121.574 120.762 0.812 18852 422 1 3 . 1 1 25 25 ALA HA H 25 4.329 4.329 4.563 -0.234 18852 423 1 3 . 1 1 25 25 ALA C C 25 176.649 176.649 175.877 0.772 18852 424 1 3 . 1 1 25 25 ALA CA C 25 52.566 52.566 50.895 1.671 18852 425 1 3 . 1 1 25 25 ALA CB C 25 18.630 18.630 20.258 -1.627 18852 426 1 3 . 1 1 25 25 ALA H H 25 7.679 7.679 7.719 -0.040 18852 427 1 4 . 1 1 2 2 ALA HA H 2 4.239 4.239 4.211 0.028 18852 428 1 4 . 1 1 2 2 ALA C C 2 179.180 179.180 179.366 -0.186 18852 429 1 4 . 1 1 2 2 ALA CA C 2 54.532 54.532 54.013 0.519 18852 430 1 4 . 1 1 2 2 ALA CB C 2 18.397 18.397 18.937 -0.540 18852 431 1 4 . 1 1 3 3 MET N N 3 117.814 117.814 118.344 -0.530 18852 432 1 4 . 1 1 3 3 MET HA H 3 4.354 4.354 4.229 0.125 18852 433 1 4 . 1 1 3 3 MET C C 3 177.926 177.926 177.790 0.136 18852 434 1 4 . 1 1 3 3 MET CA C 3 57.876 57.876 57.770 0.106 18852 435 1 4 . 1 1 3 3 MET CB C 3 31.673 31.673 31.933 -0.260 18852 436 1 4 . 1 1 3 3 MET H H 3 8.613 8.613 8.156 0.457 18852 437 1 4 . 1 1 4 4 ALA N N 4 122.603 122.603 120.092 2.511 18852 438 1 4 . 1 1 4 4 ALA HA H 4 4.228 4.228 4.002 0.226 18852 439 1 4 . 1 1 4 4 ALA C C 4 179.940 179.940 179.481 0.459 18852 440 1 4 . 1 1 4 4 ALA CA C 4 54.689 54.689 55.070 -0.381 18852 441 1 4 . 1 1 4 4 ALA CB C 4 18.025 18.025 18.223 -0.198 18852 442 1 4 . 1 1 4 4 ALA H H 4 8.324 8.324 7.761 0.563 18852 443 1 4 . 1 1 5 5 THR N N 5 112.671 112.671 113.840 -1.169 18852 444 1 4 . 1 1 5 5 THR HA H 5 4.121 4.121 3.904 0.217 18852 445 1 4 . 1 1 5 5 THR C C 5 176.085 176.085 176.381 -0.296 18852 446 1 4 . 1 1 5 5 THR CA C 5 65.053 65.053 66.204 -1.151 18852 447 1 4 . 1 1 5 5 THR CB C 5 68.989 68.989 68.501 0.488 18852 448 1 4 . 1 1 5 5 THR H H 5 7.966 7.966 7.749 0.217 18852 449 1 4 . 1 1 6 6 ARG N N 6 122.300 122.300 120.908 1.392 18852 450 1 4 . 1 1 6 6 ARG HA H 6 4.057 4.057 3.996 0.061 18852 451 1 4 . 1 1 6 6 ARG C C 6 178.983 178.983 178.997 -0.014 18852 452 1 4 . 1 1 6 6 ARG CA C 6 59.963 59.963 59.221 0.742 18852 453 1 4 . 1 1 6 6 ARG CB C 6 29.853 29.853 29.810 0.043 18852 454 1 4 . 1 1 6 6 ARG H H 6 8.244 8.244 7.603 0.641 18852 455 1 4 . 1 1 7 7 GLN N N 7 118.940 118.940 118.664 0.276 18852 456 1 4 . 1 1 7 7 GLN HA H 7 4.058 4.058 4.167 -0.109 18852 457 1 4 . 1 1 7 7 GLN C C 7 177.997 177.997 177.956 0.041 18852 458 1 4 . 1 1 7 7 GLN CA C 7 58.735 58.735 58.235 0.500 18852 459 1 4 . 1 1 7 7 GLN CB C 7 28.188 28.188 27.855 0.334 18852 460 1 4 . 1 1 7 7 GLN H H 7 8.424 8.424 8.232 0.192 18852 461 1 4 . 1 1 8 8 ALA N N 8 122.920 122.920 122.854 0.066 18852 462 1 4 . 1 1 8 8 ALA HA H 8 4.217 4.217 4.003 0.214 18852 463 1 4 . 1 1 8 8 ALA C C 8 180.837 180.837 179.197 1.640 18852 464 1 4 . 1 1 8 8 ALA CA C 8 55.319 55.319 54.762 0.557 18852 465 1 4 . 1 1 8 8 ALA CB C 8 17.695 17.695 18.255 -0.560 18852 466 1 4 . 1 1 8 8 ALA H H 8 8.306 8.306 7.837 0.469 18852 467 1 4 . 1 1 9 9 ARG N N 9 118.721 118.721 118.229 0.492 18852 468 1 4 . 1 1 9 9 ARG HA H 9 4.050 4.050 4.037 0.013 18852 469 1 4 . 1 1 9 9 ARG C C 9 178.843 178.843 178.601 0.242 18852 470 1 4 . 1 1 9 9 ARG CA C 9 59.721 59.721 58.587 1.134 18852 471 1 4 . 1 1 9 9 ARG CB C 9 30.168 30.168 30.104 0.064 18852 472 1 4 . 1 1 9 9 ARG H H 9 8.263 8.263 7.631 0.632 18852 473 1 4 . 1 1 10 10 ARG N N 10 120.338 120.338 118.928 1.410 18852 474 1 4 . 1 1 10 10 ARG HA H 10 4.074 4.074 4.213 -0.139 18852 475 1 4 . 1 1 10 10 ARG C C 10 179.024 179.024 178.583 0.441 18852 476 1 4 . 1 1 10 10 ARG CA C 10 59.542 59.542 58.474 1.068 18852 477 1 4 . 1 1 10 10 ARG CB C 10 29.904 29.904 29.866 0.038 18852 478 1 4 . 1 1 10 10 ARG H H 10 8.251 8.251 8.075 0.176 18852 479 1 4 . 1 1 11 11 ASN N N 11 118.863 118.863 118.958 -0.095 18852 480 1 4 . 1 1 11 11 ASN HA H 11 4.543 4.543 4.378 0.165 18852 481 1 4 . 1 1 11 11 ASN C C 11 177.279 177.279 177.528 -0.249 18852 482 1 4 . 1 1 11 11 ASN CA C 11 55.979 55.979 56.548 -0.569 18852 483 1 4 . 1 1 11 11 ASN CB C 11 37.983 37.983 38.419 -0.436 18852 484 1 4 . 1 1 11 11 ASN H H 11 8.551 8.551 7.722 0.829 18852 485 1 4 . 1 1 12 12 ARG N N 12 120.917 120.917 120.198 0.719 18852 486 1 4 . 1 1 12 12 ARG HA H 12 4.079 4.079 4.054 0.025 18852 487 1 4 . 1 1 12 12 ARG C C 12 178.488 178.488 178.642 -0.154 18852 488 1 4 . 1 1 12 12 ARG CA C 12 59.787 59.787 58.834 0.953 18852 489 1 4 . 1 1 12 12 ARG CB C 12 29.937 29.937 29.939 -0.002 18852 490 1 4 . 1 1 12 12 ARG H H 12 8.253 8.253 7.950 0.303 18852 491 1 4 . 1 1 13 13 ARG N N 13 119.263 119.263 119.086 0.177 18852 492 1 4 . 1 1 13 13 ARG HA H 13 4.189 4.189 4.303 -0.114 18852 493 1 4 . 1 1 13 13 ARG C C 13 178.479 178.479 179.078 -0.599 18852 494 1 4 . 1 1 13 13 ARG CA C 13 59.572 59.572 59.376 0.196 18852 495 1 4 . 1 1 13 13 ARG CB C 13 30.067 30.067 29.973 0.094 18852 496 1 4 . 1 1 13 13 ARG H H 13 8.167 8.167 7.764 0.403 18852 497 1 4 . 1 1 14 14 ARG N N 14 119.756 119.756 119.712 0.044 18852 498 1 4 . 1 1 14 14 ARG HA H 14 4.141 4.141 3.996 0.145 18852 499 1 4 . 1 1 14 14 ARG C C 14 178.817 178.817 178.737 0.080 18852 500 1 4 . 1 1 14 14 ARG CA C 14 59.695 59.695 59.770 -0.075 18852 501 1 4 . 1 1 14 14 ARG CB C 14 29.812 29.812 30.053 -0.241 18852 502 1 4 . 1 1 14 14 ARG H H 14 8.285 8.285 7.919 0.366 18852 503 1 4 . 1 1 15 15 ARG N N 15 119.026 119.026 118.641 0.385 18852 504 1 4 . 1 1 15 15 ARG HA H 15 4.158 4.158 4.132 0.026 18852 505 1 4 . 1 1 15 15 ARG C C 15 178.909 178.909 178.782 0.127 18852 506 1 4 . 1 1 15 15 ARG CA C 15 59.233 59.233 58.821 0.413 18852 507 1 4 . 1 1 15 15 ARG CB C 15 29.772 29.772 29.541 0.231 18852 508 1 4 . 1 1 15 15 ARG H H 15 8.278 8.278 7.958 0.320 18852 509 1 4 . 1 1 16 16 TRP N N 16 121.055 121.055 122.379 -1.324 18852 510 1 4 . 1 1 16 16 TRP HA H 16 4.389 4.389 4.507 -0.118 18852 511 1 4 . 1 1 16 16 TRP C C 16 178.621 178.621 178.094 0.527 18852 512 1 4 . 1 1 16 16 TRP CA C 16 61.013 61.013 59.748 1.265 18852 513 1 4 . 1 1 16 16 TRP CB C 16 28.796 28.796 29.318 -0.522 18852 514 1 4 . 1 1 16 16 TRP H H 16 8.464 8.464 8.043 0.421 18852 515 1 4 . 1 1 17 17 ARG N N 17 119.474 119.474 119.683 -0.209 18852 516 1 4 . 1 1 17 17 ARG HA H 17 3.910 3.910 4.009 -0.099 18852 517 1 4 . 1 1 17 17 ARG C C 17 179.120 179.120 178.499 0.621 18852 518 1 4 . 1 1 17 17 ARG CA C 17 59.627 59.627 58.652 0.975 18852 519 1 4 . 1 1 17 17 ARG CB C 17 29.907 29.907 29.753 0.154 18852 520 1 4 . 1 1 17 17 ARG H H 17 8.537 8.537 7.760 0.777 18852 521 1 4 . 1 1 18 18 GLU N N 18 119.223 119.223 118.293 0.930 18852 522 1 4 . 1 1 18 18 GLU HA H 18 4.061 4.061 4.050 0.011 18852 523 1 4 . 1 1 18 18 GLU C C 18 179.163 179.163 178.998 0.165 18852 524 1 4 . 1 1 18 18 GLU CA C 18 59.138 59.138 58.832 0.306 18852 525 1 4 . 1 1 18 18 GLU CB C 18 29.135 29.135 29.278 -0.143 18852 526 1 4 . 1 1 18 18 GLU H H 18 8.346 8.346 7.747 0.599 18852 527 1 4 . 1 1 19 19 ARG N N 19 119.942 119.942 119.134 0.808 18852 528 1 4 . 1 1 19 19 ARG HA H 19 4.046 4.046 4.233 -0.187 18852 529 1 4 . 1 1 19 19 ARG C C 19 178.634 178.634 178.883 -0.249 18852 530 1 4 . 1 1 19 19 ARG CA C 19 59.016 59.016 58.217 0.799 18852 531 1 4 . 1 1 19 19 ARG CB C 19 29.371 29.371 30.354 -0.983 18852 532 1 4 . 1 1 19 19 ARG H H 19 8.104 8.104 7.813 0.291 18852 533 1 4 . 1 1 20 20 GLN N N 20 118.373 118.373 120.050 -1.677 18852 534 1 4 . 1 1 20 20 GLN HA H 20 3.892 3.892 4.001 -0.109 18852 535 1 4 . 1 1 20 20 GLN C C 20 178.465 178.465 177.930 0.535 18852 536 1 4 . 1 1 20 20 GLN CA C 20 58.170 58.170 58.526 -0.356 18852 537 1 4 . 1 1 20 20 GLN CB C 20 28.113 28.113 28.338 -0.225 18852 538 1 4 . 1 1 20 20 GLN H H 20 8.044 8.044 7.729 0.315 18852 539 1 4 . 1 1 21 21 ARG N N 21 119.374 119.374 119.490 -0.116 18852 540 1 4 . 1 1 21 21 ARG HA H 21 4.034 4.034 3.984 0.050 18852 541 1 4 . 1 1 21 21 ARG C C 21 178.423 178.423 178.295 0.128 18852 542 1 4 . 1 1 21 21 ARG CA C 21 58.765 58.765 58.899 -0.134 18852 543 1 4 . 1 1 21 21 ARG CB C 21 29.676 29.676 29.916 -0.240 18852 544 1 4 . 1 1 21 21 ARG H H 21 8.079 8.079 8.317 -0.238 18852 545 1 4 . 1 1 22 22 ALA N N 22 121.393 121.393 120.359 1.034 18852 546 1 4 . 1 1 22 22 ALA HA H 22 4.146 4.146 4.077 0.069 18852 547 1 4 . 1 1 22 22 ALA C C 22 179.577 179.577 178.387 1.190 18852 548 1 4 . 1 1 22 22 ALA CA C 22 54.267 54.267 54.968 -0.701 18852 549 1 4 . 1 1 22 22 ALA CB C 22 17.831 17.831 18.435 -0.604 18852 550 1 4 . 1 1 22 22 ALA H H 22 8.026 8.026 7.499 0.527 18852 551 1 4 . 1 1 23 23 ALA N N 23 119.867 119.867 120.456 -0.589 18852 552 1 4 . 1 1 23 23 ALA HA H 23 4.158 4.158 4.235 -0.077 18852 553 1 4 . 1 1 23 23 ALA C C 23 178.616 178.616 179.507 -0.891 18852 554 1 4 . 1 1 23 23 ALA CA C 23 53.714 53.714 53.745 -0.031 18852 555 1 4 . 1 1 23 23 ALA CB C 23 18.045 18.045 18.790 -0.745 18852 556 1 4 . 1 1 23 23 ALA H H 23 7.938 7.938 7.556 0.382 18852 557 1 4 . 1 1 24 24 ALA N N 24 119.652 119.652 121.168 -1.516 18852 558 1 4 . 1 1 24 24 ALA HA H 24 4.291 4.291 3.982 0.309 18852 559 1 4 . 1 1 24 24 ALA C C 24 177.528 177.528 177.242 0.286 18852 560 1 4 . 1 1 24 24 ALA CA C 24 52.706 52.706 53.819 -1.113 18852 561 1 4 . 1 1 24 24 ALA CB C 24 18.591 18.591 19.170 -0.579 18852 562 1 4 . 1 1 24 24 ALA H H 24 7.693 7.693 8.313 -0.620 18852 563 1 4 . 1 1 25 25 ALA N N 25 121.574 121.574 120.325 1.249 18852 564 1 4 . 1 1 25 25 ALA HA H 25 4.329 4.329 4.554 -0.225 18852 565 1 4 . 1 1 25 25 ALA C C 25 176.649 176.649 175.796 0.853 18852 566 1 4 . 1 1 25 25 ALA CA C 25 52.566 52.566 50.892 1.674 18852 567 1 4 . 1 1 25 25 ALA CB C 25 18.630 18.630 20.573 -1.942 18852 568 1 4 . 1 1 25 25 ALA H H 25 7.679 7.679 7.679 0.000 18852 569 1 5 . 1 1 2 2 ALA HA H 2 4.239 4.239 4.126 0.113 18852 570 1 5 . 1 1 2 2 ALA C C 2 179.180 179.180 179.653 -0.473 18852 571 1 5 . 1 1 2 2 ALA CA C 2 54.532 54.532 54.281 0.252 18852 572 1 5 . 1 1 2 2 ALA CB C 2 18.397 18.397 19.474 -1.077 18852 573 1 5 . 1 1 3 3 MET N N 3 117.814 117.814 118.741 -0.927 18852 574 1 5 . 1 1 3 3 MET HA H 3 4.354 4.354 4.162 0.192 18852 575 1 5 . 1 1 3 3 MET C C 3 177.926 177.926 177.599 0.327 18852 576 1 5 . 1 1 3 3 MET CA C 3 57.876 57.876 58.273 -0.397 18852 577 1 5 . 1 1 3 3 MET CB C 3 31.673 31.673 32.349 -0.676 18852 578 1 5 . 1 1 3 3 MET H H 3 8.613 8.613 8.264 0.349 18852 579 1 5 . 1 1 4 4 ALA N N 4 122.603 122.603 119.114 3.489 18852 580 1 5 . 1 1 4 4 ALA HA H 4 4.228 4.228 4.142 0.086 18852 581 1 5 . 1 1 4 4 ALA C C 4 179.940 179.940 179.410 0.530 18852 582 1 5 . 1 1 4 4 ALA CA C 4 54.689 54.689 55.031 -0.342 18852 583 1 5 . 1 1 4 4 ALA CB C 4 18.025 18.025 18.056 -0.031 18852 584 1 5 . 1 1 4 4 ALA H H 4 8.324 8.324 8.344 -0.020 18852 585 1 5 . 1 1 5 5 THR N N 5 112.671 112.671 115.519 -2.848 18852 586 1 5 . 1 1 5 5 THR HA H 5 4.121 4.121 3.926 0.195 18852 587 1 5 . 1 1 5 5 THR C C 5 176.085 176.085 176.579 -0.494 18852 588 1 5 . 1 1 5 5 THR CA C 5 65.053 65.053 67.111 -2.058 18852 589 1 5 . 1 1 5 5 THR CB C 5 68.989 68.989 68.550 0.439 18852 590 1 5 . 1 1 5 5 THR H H 5 7.966 7.966 7.653 0.313 18852 591 1 5 . 1 1 6 6 ARG N N 6 122.300 122.300 121.365 0.935 18852 592 1 5 . 1 1 6 6 ARG HA H 6 4.057 4.057 4.014 0.043 18852 593 1 5 . 1 1 6 6 ARG C C 6 178.983 178.983 178.780 0.203 18852 594 1 5 . 1 1 6 6 ARG CA C 6 59.963 59.963 59.184 0.779 18852 595 1 5 . 1 1 6 6 ARG CB C 6 29.853 29.853 30.240 -0.387 18852 596 1 5 . 1 1 6 6 ARG H H 6 8.244 8.244 7.611 0.633 18852 597 1 5 . 1 1 7 7 GLN N N 7 118.940 118.940 118.856 0.084 18852 598 1 5 . 1 1 7 7 GLN HA H 7 4.058 4.058 4.102 -0.044 18852 599 1 5 . 1 1 7 7 GLN C C 7 177.997 177.997 178.400 -0.403 18852 600 1 5 . 1 1 7 7 GLN CA C 7 58.735 58.735 58.102 0.633 18852 601 1 5 . 1 1 7 7 GLN CB C 7 28.188 28.188 28.152 0.036 18852 602 1 5 . 1 1 7 7 GLN H H 7 8.424 8.424 7.707 0.717 18852 603 1 5 . 1 1 8 8 ALA N N 8 122.920 122.920 123.476 -0.556 18852 604 1 5 . 1 1 8 8 ALA HA H 8 4.217 4.217 3.988 0.229 18852 605 1 5 . 1 1 8 8 ALA C C 8 180.837 180.837 179.292 1.545 18852 606 1 5 . 1 1 8 8 ALA CA C 8 55.319 55.319 55.171 0.148 18852 607 1 5 . 1 1 8 8 ALA CB C 8 17.695 17.695 18.121 -0.426 18852 608 1 5 . 1 1 8 8 ALA H H 8 8.306 8.306 8.250 0.056 18852 609 1 5 . 1 1 9 9 ARG N N 9 118.721 118.721 117.068 1.653 18852 610 1 5 . 1 1 9 9 ARG HA H 9 4.050 4.050 4.038 0.012 18852 611 1 5 . 1 1 9 9 ARG C C 9 178.843 178.843 178.966 -0.123 18852 612 1 5 . 1 1 9 9 ARG CA C 9 59.721 59.721 58.480 1.242 18852 613 1 5 . 1 1 9 9 ARG CB C 9 30.168 30.168 29.827 0.341 18852 614 1 5 . 1 1 9 9 ARG H H 9 8.263 8.263 7.757 0.506 18852 615 1 5 . 1 1 10 10 ARG N N 10 120.338 120.338 118.446 1.892 18852 616 1 5 . 1 1 10 10 ARG HA H 10 4.074 4.074 4.279 -0.205 18852 617 1 5 . 1 1 10 10 ARG C C 10 179.024 179.024 178.193 0.831 18852 618 1 5 . 1 1 10 10 ARG CA C 10 59.542 59.542 58.195 1.347 18852 619 1 5 . 1 1 10 10 ARG CB C 10 29.904 29.904 30.196 -0.292 18852 620 1 5 . 1 1 10 10 ARG H H 10 8.251 8.251 8.097 0.154 18852 621 1 5 . 1 1 11 11 ASN N N 11 118.863 118.863 119.296 -0.433 18852 622 1 5 . 1 1 11 11 ASN HA H 11 4.543 4.543 4.508 0.035 18852 623 1 5 . 1 1 11 11 ASN C C 11 177.279 177.279 177.416 -0.137 18852 624 1 5 . 1 1 11 11 ASN CA C 11 55.979 55.979 56.352 -0.373 18852 625 1 5 . 1 1 11 11 ASN CB C 11 37.983 37.983 38.382 -0.399 18852 626 1 5 . 1 1 11 11 ASN H H 11 8.551 8.551 7.969 0.582 18852 627 1 5 . 1 1 12 12 ARG N N 12 120.917 120.917 119.464 1.453 18852 628 1 5 . 1 1 12 12 ARG HA H 12 4.079 4.079 4.021 0.058 18852 629 1 5 . 1 1 12 12 ARG C C 12 178.488 178.488 178.490 -0.002 18852 630 1 5 . 1 1 12 12 ARG CA C 12 59.787 59.787 59.100 0.687 18852 631 1 5 . 1 1 12 12 ARG CB C 12 29.937 29.937 29.443 0.494 18852 632 1 5 . 1 1 12 12 ARG H H 12 8.253 8.253 8.113 0.140 18852 633 1 5 . 1 1 13 13 ARG N N 13 119.263 119.263 118.023 1.240 18852 634 1 5 . 1 1 13 13 ARG HA H 13 4.189 4.189 4.278 -0.089 18852 635 1 5 . 1 1 13 13 ARG C C 13 178.479 178.479 178.673 -0.194 18852 636 1 5 . 1 1 13 13 ARG CA C 13 59.572 59.572 58.536 1.036 18852 637 1 5 . 1 1 13 13 ARG CB C 13 30.067 30.067 29.728 0.339 18852 638 1 5 . 1 1 13 13 ARG H H 13 8.167 8.167 7.858 0.309 18852 639 1 5 . 1 1 14 14 ARG N N 14 119.756 119.756 120.929 -1.173 18852 640 1 5 . 1 1 14 14 ARG HA H 14 4.141 4.141 4.017 0.124 18852 641 1 5 . 1 1 14 14 ARG C C 14 178.817 178.817 178.594 0.223 18852 642 1 5 . 1 1 14 14 ARG CA C 14 59.695 59.695 59.643 0.052 18852 643 1 5 . 1 1 14 14 ARG CB C 14 29.812 29.812 29.920 -0.108 18852 644 1 5 . 1 1 14 14 ARG H H 14 8.285 8.285 7.950 0.335 18852 645 1 5 . 1 1 15 15 ARG N N 15 119.026 119.026 119.229 -0.203 18852 646 1 5 . 1 1 15 15 ARG HA H 15 4.158 4.158 4.034 0.124 18852 647 1 5 . 1 1 15 15 ARG C C 15 178.909 178.909 178.625 0.284 18852 648 1 5 . 1 1 15 15 ARG CA C 15 59.233 59.233 59.236 -0.003 18852 649 1 5 . 1 1 15 15 ARG CB C 15 29.772 29.772 29.730 0.042 18852 650 1 5 . 1 1 15 15 ARG H H 15 8.278 8.278 7.984 0.294 18852 651 1 5 . 1 1 16 16 TRP N N 16 121.055 121.055 120.520 0.535 18852 652 1 5 . 1 1 16 16 TRP HA H 16 4.389 4.389 4.334 0.055 18852 653 1 5 . 1 1 16 16 TRP C C 16 178.621 178.621 178.360 0.261 18852 654 1 5 . 1 1 16 16 TRP CA C 16 61.013 61.013 61.082 -0.069 18852 655 1 5 . 1 1 16 16 TRP CB C 16 28.796 28.796 29.243 -0.447 18852 656 1 5 . 1 1 16 16 TRP H H 16 8.464 8.464 7.697 0.767 18852 657 1 5 . 1 1 17 17 ARG N N 17 119.474 119.474 119.233 0.241 18852 658 1 5 . 1 1 17 17 ARG HA H 17 3.910 3.910 3.650 0.260 18852 659 1 5 . 1 1 17 17 ARG C C 17 179.120 179.120 178.396 0.724 18852 660 1 5 . 1 1 17 17 ARG CA C 17 59.627 59.627 58.948 0.679 18852 661 1 5 . 1 1 17 17 ARG CB C 17 29.907 29.907 29.721 0.186 18852 662 1 5 . 1 1 17 17 ARG H H 17 8.537 8.537 7.891 0.646 18852 663 1 5 . 1 1 18 18 GLU N N 18 119.223 119.223 118.093 1.130 18852 664 1 5 . 1 1 18 18 GLU HA H 18 4.061 4.061 3.990 0.071 18852 665 1 5 . 1 1 18 18 GLU C C 18 179.163 179.163 178.930 0.233 18852 666 1 5 . 1 1 18 18 GLU CA C 18 59.138 59.138 58.776 0.361 18852 667 1 5 . 1 1 18 18 GLU CB C 18 29.135 29.135 29.159 -0.024 18852 668 1 5 . 1 1 18 18 GLU H H 18 8.346 8.346 7.859 0.487 18852 669 1 5 . 1 1 19 19 ARG N N 19 119.942 119.942 118.982 0.960 18852 670 1 5 . 1 1 19 19 ARG HA H 19 4.046 4.046 4.191 -0.145 18852 671 1 5 . 1 1 19 19 ARG C C 19 178.634 178.634 178.771 -0.137 18852 672 1 5 . 1 1 19 19 ARG CA C 19 59.016 59.016 57.730 1.286 18852 673 1 5 . 1 1 19 19 ARG CB C 19 29.371 29.371 30.139 -0.768 18852 674 1 5 . 1 1 19 19 ARG H H 19 8.104 8.104 8.078 0.026 18852 675 1 5 . 1 1 20 20 GLN N N 20 118.373 118.373 119.944 -1.571 18852 676 1 5 . 1 1 20 20 GLN HA H 20 3.892 3.892 3.926 -0.034 18852 677 1 5 . 1 1 20 20 GLN C C 20 178.465 178.465 177.775 0.690 18852 678 1 5 . 1 1 20 20 GLN CA C 20 58.170 58.170 58.500 -0.330 18852 679 1 5 . 1 1 20 20 GLN CB C 20 28.113 28.113 28.127 -0.014 18852 680 1 5 . 1 1 20 20 GLN H H 20 8.044 8.044 7.705 0.339 18852 681 1 5 . 1 1 21 21 ARG N N 21 119.374 119.374 119.558 -0.184 18852 682 1 5 . 1 1 21 21 ARG HA H 21 4.034 4.034 3.936 0.098 18852 683 1 5 . 1 1 21 21 ARG C C 21 178.423 178.423 178.367 0.056 18852 684 1 5 . 1 1 21 21 ARG CA C 21 58.765 58.765 59.122 -0.357 18852 685 1 5 . 1 1 21 21 ARG CB C 21 29.676 29.676 30.057 -0.381 18852 686 1 5 . 1 1 21 21 ARG H H 21 8.079 8.079 7.701 0.378 18852 687 1 5 . 1 1 22 22 ALA N N 22 121.393 121.393 120.464 0.929 18852 688 1 5 . 1 1 22 22 ALA HA H 22 4.146 4.146 4.107 0.039 18852 689 1 5 . 1 1 22 22 ALA C C 22 179.577 179.577 178.440 1.137 18852 690 1 5 . 1 1 22 22 ALA CA C 22 54.267 54.267 54.886 -0.619 18852 691 1 5 . 1 1 22 22 ALA CB C 22 17.831 17.831 18.415 -0.584 18852 692 1 5 . 1 1 22 22 ALA H H 22 8.026 8.026 7.497 0.529 18852 693 1 5 . 1 1 23 23 ALA N N 23 119.867 119.867 120.894 -1.027 18852 694 1 5 . 1 1 23 23 ALA HA H 23 4.158 4.158 4.331 -0.173 18852 695 1 5 . 1 1 23 23 ALA C C 23 178.616 178.616 179.223 -0.607 18852 696 1 5 . 1 1 23 23 ALA CA C 23 53.714 53.714 53.591 0.123 18852 697 1 5 . 1 1 23 23 ALA CB C 23 18.045 18.045 18.510 -0.465 18852 698 1 5 . 1 1 23 23 ALA H H 23 7.938 7.938 7.491 0.447 18852 699 1 5 . 1 1 24 24 ALA N N 24 119.652 119.652 121.632 -1.980 18852 700 1 5 . 1 1 24 24 ALA HA H 24 4.291 4.291 4.061 0.230 18852 701 1 5 . 1 1 24 24 ALA C C 24 177.528 177.528 177.443 0.085 18852 702 1 5 . 1 1 24 24 ALA CA C 24 52.706 52.706 53.997 -1.291 18852 703 1 5 . 1 1 24 24 ALA CB C 24 18.591 18.591 19.287 -0.696 18852 704 1 5 . 1 1 24 24 ALA H H 24 7.693 7.693 8.138 -0.445 18852 705 1 5 . 1 1 25 25 ALA N N 25 121.574 121.574 120.975 0.599 18852 706 1 5 . 1 1 25 25 ALA HA H 25 4.329 4.329 4.569 -0.240 18852 707 1 5 . 1 1 25 25 ALA C C 25 176.649 176.649 175.838 0.811 18852 708 1 5 . 1 1 25 25 ALA CA C 25 52.566 52.566 50.816 1.750 18852 709 1 5 . 1 1 25 25 ALA CB C 25 18.630 18.630 20.224 -1.594 18852 710 1 5 . 1 1 25 25 ALA H H 25 7.679 7.679 7.649 0.030 18852 711 1 6 . 1 1 2 2 ALA HA H 2 4.239 4.239 4.050 0.189 18852 712 1 6 . 1 1 2 2 ALA C C 2 179.180 179.180 179.199 -0.019 18852 713 1 6 . 1 1 2 2 ALA CA C 2 54.532 54.532 54.478 0.054 18852 714 1 6 . 1 1 2 2 ALA CB C 2 18.397 18.397 19.124 -0.727 18852 715 1 6 . 1 1 3 3 MET N N 3 117.814 117.814 116.647 1.167 18852 716 1 6 . 1 1 3 3 MET HA H 3 4.354 4.354 4.027 0.327 18852 717 1 6 . 1 1 3 3 MET C C 3 177.926 177.926 177.800 0.126 18852 718 1 6 . 1 1 3 3 MET CA C 3 57.876 57.876 58.002 -0.126 18852 719 1 6 . 1 1 3 3 MET CB C 3 31.673 31.673 31.705 -0.032 18852 720 1 6 . 1 1 3 3 MET H H 3 8.613 8.613 8.098 0.515 18852 721 1 6 . 1 1 4 4 ALA N N 4 122.603 122.603 122.234 0.369 18852 722 1 6 . 1 1 4 4 ALA HA H 4 4.228 4.228 3.949 0.279 18852 723 1 6 . 1 1 4 4 ALA C C 4 179.940 179.940 179.399 0.541 18852 724 1 6 . 1 1 4 4 ALA CA C 4 54.689 54.689 55.370 -0.680 18852 725 1 6 . 1 1 4 4 ALA CB C 4 18.025 18.025 17.977 0.048 18852 726 1 6 . 1 1 4 4 ALA H H 4 8.324 8.324 8.382 -0.058 18852 727 1 6 . 1 1 5 5 THR N N 5 112.671 112.671 112.204 0.467 18852 728 1 6 . 1 1 5 5 THR HA H 5 4.121 4.121 3.965 0.156 18852 729 1 6 . 1 1 5 5 THR C C 5 176.085 176.085 176.663 -0.578 18852 730 1 6 . 1 1 5 5 THR CA C 5 65.053 65.053 65.359 -0.306 18852 731 1 6 . 1 1 5 5 THR CB C 5 68.989 68.989 68.362 0.627 18852 732 1 6 . 1 1 5 5 THR H H 5 7.966 7.966 7.731 0.235 18852 733 1 6 . 1 1 6 6 ARG N N 6 122.300 122.300 122.031 0.269 18852 734 1 6 . 1 1 6 6 ARG HA H 6 4.057 4.057 3.866 0.191 18852 735 1 6 . 1 1 6 6 ARG C C 6 178.983 178.983 178.629 0.354 18852 736 1 6 . 1 1 6 6 ARG CA C 6 59.963 59.963 59.615 0.347 18852 737 1 6 . 1 1 6 6 ARG CB C 6 29.853 29.853 30.149 -0.296 18852 738 1 6 . 1 1 6 6 ARG H H 6 8.244 8.244 7.403 0.841 18852 739 1 6 . 1 1 7 7 GLN N N 7 118.940 118.940 117.934 1.006 18852 740 1 6 . 1 1 7 7 GLN HA H 7 4.058 4.058 4.115 -0.057 18852 741 1 6 . 1 1 7 7 GLN C C 7 177.997 177.997 177.993 0.004 18852 742 1 6 . 1 1 7 7 GLN CA C 7 58.735 58.735 58.164 0.570 18852 743 1 6 . 1 1 7 7 GLN CB C 7 28.188 28.188 28.472 -0.284 18852 744 1 6 . 1 1 7 7 GLN H H 7 8.424 8.424 7.711 0.713 18852 745 1 6 . 1 1 8 8 ALA N N 8 122.920 122.920 122.690 0.230 18852 746 1 6 . 1 1 8 8 ALA HA H 8 4.217 4.217 4.036 0.181 18852 747 1 6 . 1 1 8 8 ALA C C 8 180.837 180.837 179.720 1.117 18852 748 1 6 . 1 1 8 8 ALA CA C 8 55.319 55.319 54.747 0.572 18852 749 1 6 . 1 1 8 8 ALA CB C 8 17.695 17.695 18.294 -0.599 18852 750 1 6 . 1 1 8 8 ALA H H 8 8.306 8.306 7.732 0.574 18852 751 1 6 . 1 1 9 9 ARG N N 9 118.721 118.721 118.557 0.164 18852 752 1 6 . 1 1 9 9 ARG HA H 9 4.050 4.050 4.075 -0.025 18852 753 1 6 . 1 1 9 9 ARG C C 9 178.843 178.843 178.102 0.741 18852 754 1 6 . 1 1 9 9 ARG CA C 9 59.721 59.721 58.461 1.260 18852 755 1 6 . 1 1 9 9 ARG CB C 9 30.168 30.168 29.930 0.237 18852 756 1 6 . 1 1 9 9 ARG H H 9 8.263 8.263 7.970 0.293 18852 757 1 6 . 1 1 10 10 ARG N N 10 120.338 120.338 118.604 1.734 18852 758 1 6 . 1 1 10 10 ARG HA H 10 4.074 4.074 4.091 -0.017 18852 759 1 6 . 1 1 10 10 ARG C C 10 179.024 179.024 178.391 0.633 18852 760 1 6 . 1 1 10 10 ARG CA C 10 59.542 59.542 59.081 0.461 18852 761 1 6 . 1 1 10 10 ARG CB C 10 29.904 29.904 29.927 -0.024 18852 762 1 6 . 1 1 10 10 ARG H H 10 8.251 8.251 7.640 0.611 18852 763 1 6 . 1 1 11 11 ASN N N 11 118.863 118.863 117.728 1.135 18852 764 1 6 . 1 1 11 11 ASN HA H 11 4.543 4.543 4.611 -0.068 18852 765 1 6 . 1 1 11 11 ASN C C 11 177.279 177.279 177.196 0.083 18852 766 1 6 . 1 1 11 11 ASN CA C 11 55.979 55.979 55.213 0.766 18852 767 1 6 . 1 1 11 11 ASN CB C 11 37.983 37.983 38.182 -0.199 18852 768 1 6 . 1 1 11 11 ASN H H 11 8.551 8.551 7.679 0.872 18852 769 1 6 . 1 1 12 12 ARG N N 12 120.917 120.917 121.745 -0.828 18852 770 1 6 . 1 1 12 12 ARG HA H 12 4.079 4.079 3.931 0.148 18852 771 1 6 . 1 1 12 12 ARG C C 12 178.488 178.488 178.399 0.089 18852 772 1 6 . 1 1 12 12 ARG CA C 12 59.787 59.787 59.887 -0.100 18852 773 1 6 . 1 1 12 12 ARG CB C 12 29.937 29.937 30.315 -0.378 18852 774 1 6 . 1 1 12 12 ARG H H 12 8.253 8.253 8.341 -0.087 18852 775 1 6 . 1 1 13 13 ARG N N 13 119.263 119.263 116.656 2.607 18852 776 1 6 . 1 1 13 13 ARG HA H 13 4.189 4.189 3.747 0.442 18852 777 1 6 . 1 1 13 13 ARG C C 13 178.479 178.479 178.798 -0.319 18852 778 1 6 . 1 1 13 13 ARG CA C 13 59.572 59.572 58.403 1.169 18852 779 1 6 . 1 1 13 13 ARG CB C 13 30.067 30.067 29.309 0.758 18852 780 1 6 . 1 1 13 13 ARG H H 13 8.167 8.167 7.504 0.663 18852 781 1 6 . 1 1 14 14 ARG N N 14 119.756 119.756 120.313 -0.557 18852 782 1 6 . 1 1 14 14 ARG HA H 14 4.141 4.141 4.040 0.101 18852 783 1 6 . 1 1 14 14 ARG C C 14 178.817 178.817 178.385 0.432 18852 784 1 6 . 1 1 14 14 ARG CA C 14 59.695 59.695 59.143 0.552 18852 785 1 6 . 1 1 14 14 ARG CB C 14 29.812 29.812 29.799 0.014 18852 786 1 6 . 1 1 14 14 ARG H H 14 8.285 8.285 7.534 0.751 18852 787 1 6 . 1 1 15 15 ARG N N 15 119.026 119.026 120.325 -1.299 18852 788 1 6 . 1 1 15 15 ARG HA H 15 4.158 4.158 4.086 0.072 18852 789 1 6 . 1 1 15 15 ARG C C 15 178.909 178.909 178.444 0.465 18852 790 1 6 . 1 1 15 15 ARG CA C 15 59.233 59.233 59.647 -0.414 18852 791 1 6 . 1 1 15 15 ARG CB C 15 29.772 29.772 29.727 0.045 18852 792 1 6 . 1 1 15 15 ARG H H 15 8.278 8.278 7.970 0.308 18852 793 1 6 . 1 1 16 16 TRP N N 16 121.055 121.055 119.512 1.543 18852 794 1 6 . 1 1 16 16 TRP HA H 16 4.389 4.389 4.375 0.014 18852 795 1 6 . 1 1 16 16 TRP C C 16 178.621 178.621 178.871 -0.250 18852 796 1 6 . 1 1 16 16 TRP CA C 16 61.013 61.013 60.847 0.166 18852 797 1 6 . 1 1 16 16 TRP CB C 16 28.796 28.796 28.432 0.364 18852 798 1 6 . 1 1 16 16 TRP H H 16 8.464 8.464 8.007 0.457 18852 799 1 6 . 1 1 17 17 ARG N N 17 119.474 119.474 119.225 0.249 18852 800 1 6 . 1 1 17 17 ARG HA H 17 3.910 3.910 4.031 -0.121 18852 801 1 6 . 1 1 17 17 ARG C C 17 179.120 179.120 178.647 0.473 18852 802 1 6 . 1 1 17 17 ARG CA C 17 59.627 59.627 59.167 0.460 18852 803 1 6 . 1 1 17 17 ARG CB C 17 29.907 29.907 29.589 0.318 18852 804 1 6 . 1 1 17 17 ARG H H 17 8.537 8.537 7.809 0.728 18852 805 1 6 . 1 1 18 18 GLU N N 18 119.223 119.223 118.614 0.609 18852 806 1 6 . 1 1 18 18 GLU HA H 18 4.061 4.061 4.027 0.034 18852 807 1 6 . 1 1 18 18 GLU C C 18 179.163 179.163 179.223 -0.060 18852 808 1 6 . 1 1 18 18 GLU CA C 18 59.138 59.138 59.263 -0.125 18852 809 1 6 . 1 1 18 18 GLU CB C 18 29.135 29.135 29.378 -0.243 18852 810 1 6 . 1 1 18 18 GLU H H 18 8.346 8.346 7.791 0.555 18852 811 1 6 . 1 1 19 19 ARG N N 19 119.942 119.942 118.829 1.113 18852 812 1 6 . 1 1 19 19 ARG HA H 19 4.046 4.046 4.134 -0.088 18852 813 1 6 . 1 1 19 19 ARG C C 19 178.634 178.634 179.052 -0.418 18852 814 1 6 . 1 1 19 19 ARG CA C 19 59.016 59.016 58.319 0.697 18852 815 1 6 . 1 1 19 19 ARG CB C 19 29.371 29.371 30.272 -0.901 18852 816 1 6 . 1 1 19 19 ARG H H 19 8.104 8.104 8.374 -0.270 18852 817 1 6 . 1 1 20 20 GLN N N 20 118.373 118.373 119.945 -1.572 18852 818 1 6 . 1 1 20 20 GLN HA H 20 3.892 3.892 4.033 -0.141 18852 819 1 6 . 1 1 20 20 GLN C C 20 178.465 178.465 178.033 0.432 18852 820 1 6 . 1 1 20 20 GLN CA C 20 58.170 58.170 58.809 -0.639 18852 821 1 6 . 1 1 20 20 GLN CB C 20 28.113 28.113 28.213 -0.100 18852 822 1 6 . 1 1 20 20 GLN H H 20 8.044 8.044 8.414 -0.370 18852 823 1 6 . 1 1 21 21 ARG N N 21 119.374 119.374 119.967 -0.593 18852 824 1 6 . 1 1 21 21 ARG HA H 21 4.034 4.034 3.981 0.053 18852 825 1 6 . 1 1 21 21 ARG C C 21 178.423 178.423 178.495 -0.072 18852 826 1 6 . 1 1 21 21 ARG CA C 21 58.765 58.765 59.113 -0.348 18852 827 1 6 . 1 1 21 21 ARG CB C 21 29.676 29.676 30.117 -0.441 18852 828 1 6 . 1 1 21 21 ARG H H 21 8.079 8.079 7.977 0.102 18852 829 1 6 . 1 1 22 22 ALA N N 22 121.393 121.393 120.354 1.039 18852 830 1 6 . 1 1 22 22 ALA HA H 22 4.146 4.146 4.162 -0.016 18852 831 1 6 . 1 1 22 22 ALA C C 22 179.577 179.577 178.263 1.314 18852 832 1 6 . 1 1 22 22 ALA CA C 22 54.267 54.267 54.888 -0.621 18852 833 1 6 . 1 1 22 22 ALA CB C 22 17.831 17.831 18.508 -0.676 18852 834 1 6 . 1 1 22 22 ALA H H 22 8.026 8.026 7.824 0.202 18852 835 1 6 . 1 1 23 23 ALA N N 23 119.867 119.867 120.667 -0.800 18852 836 1 6 . 1 1 23 23 ALA HA H 23 4.158 4.158 4.325 -0.167 18852 837 1 6 . 1 1 23 23 ALA C C 23 178.616 178.616 179.538 -0.922 18852 838 1 6 . 1 1 23 23 ALA CA C 23 53.714 53.714 53.849 -0.135 18852 839 1 6 . 1 1 23 23 ALA CB C 23 18.045 18.045 18.565 -0.520 18852 840 1 6 . 1 1 23 23 ALA H H 23 7.938 7.938 7.533 0.405 18852 841 1 6 . 1 1 24 24 ALA N N 24 119.652 119.652 120.703 -1.051 18852 842 1 6 . 1 1 24 24 ALA HA H 24 4.291 4.291 4.166 0.125 18852 843 1 6 . 1 1 24 24 ALA C C 24 177.528 177.528 177.677 -0.149 18852 844 1 6 . 1 1 24 24 ALA CA C 24 52.706 52.706 53.951 -1.245 18852 845 1 6 . 1 1 24 24 ALA CB C 24 18.591 18.591 19.302 -0.711 18852 846 1 6 . 1 1 24 24 ALA H H 24 7.693 7.693 8.312 -0.619 18852 847 1 6 . 1 1 25 25 ALA N N 25 121.574 121.574 121.164 0.410 18852 848 1 6 . 1 1 25 25 ALA HA H 25 4.329 4.329 4.587 -0.258 18852 849 1 6 . 1 1 25 25 ALA C C 25 176.649 176.649 176.014 0.635 18852 850 1 6 . 1 1 25 25 ALA CA C 25 52.566 52.566 50.757 1.809 18852 851 1 6 . 1 1 25 25 ALA CB C 25 18.630 18.630 20.177 -1.547 18852 852 1 6 . 1 1 25 25 ALA H H 25 7.679 7.679 7.713 -0.034 18852 853 1 7 . 1 1 2 2 ALA HA H 2 4.239 4.239 4.254 -0.015 18852 854 1 7 . 1 1 2 2 ALA C C 2 179.180 179.180 178.829 0.351 18852 855 1 7 . 1 1 2 2 ALA CA C 2 54.532 54.532 54.159 0.373 18852 856 1 7 . 1 1 2 2 ALA CB C 2 18.397 18.397 19.112 -0.715 18852 857 1 7 . 1 1 3 3 MET N N 3 117.814 117.814 117.165 0.649 18852 858 1 7 . 1 1 3 3 MET HA H 3 4.354 4.354 4.478 -0.124 18852 859 1 7 . 1 1 3 3 MET C C 3 177.926 177.926 178.316 -0.390 18852 860 1 7 . 1 1 3 3 MET CA C 3 57.876 57.876 56.020 1.856 18852 861 1 7 . 1 1 3 3 MET CB C 3 31.673 31.673 32.138 -0.465 18852 862 1 7 . 1 1 3 3 MET H H 3 8.613 8.613 8.045 0.568 18852 863 1 7 . 1 1 4 4 ALA N N 4 122.603 122.603 122.830 -0.227 18852 864 1 7 . 1 1 4 4 ALA HA H 4 4.228 4.228 4.059 0.169 18852 865 1 7 . 1 1 4 4 ALA C C 4 179.940 179.940 179.463 0.477 18852 866 1 7 . 1 1 4 4 ALA CA C 4 54.689 54.689 55.177 -0.488 18852 867 1 7 . 1 1 4 4 ALA CB C 4 18.025 18.025 17.839 0.186 18852 868 1 7 . 1 1 4 4 ALA H H 4 8.324 8.324 8.203 0.121 18852 869 1 7 . 1 1 5 5 THR N N 5 112.671 112.671 113.324 -0.653 18852 870 1 7 . 1 1 5 5 THR HA H 5 4.121 4.121 3.942 0.179 18852 871 1 7 . 1 1 5 5 THR C C 5 176.085 176.085 176.446 -0.361 18852 872 1 7 . 1 1 5 5 THR CA C 5 65.053 65.053 65.487 -0.434 18852 873 1 7 . 1 1 5 5 THR CB C 5 68.989 68.989 68.851 0.138 18852 874 1 7 . 1 1 5 5 THR H H 5 7.966 7.966 7.861 0.105 18852 875 1 7 . 1 1 6 6 ARG N N 6 122.300 122.300 120.311 1.989 18852 876 1 7 . 1 1 6 6 ARG HA H 6 4.057 4.057 4.037 0.020 18852 877 1 7 . 1 1 6 6 ARG C C 6 178.983 178.983 178.810 0.173 18852 878 1 7 . 1 1 6 6 ARG CA C 6 59.963 59.963 59.390 0.573 18852 879 1 7 . 1 1 6 6 ARG CB C 6 29.853 29.853 30.151 -0.298 18852 880 1 7 . 1 1 6 6 ARG H H 6 8.244 8.244 7.996 0.248 18852 881 1 7 . 1 1 7 7 GLN N N 7 118.940 118.940 119.241 -0.301 18852 882 1 7 . 1 1 7 7 GLN HA H 7 4.058 4.058 4.075 -0.017 18852 883 1 7 . 1 1 7 7 GLN C C 7 177.997 177.997 177.933 0.064 18852 884 1 7 . 1 1 7 7 GLN CA C 7 58.735 58.735 58.194 0.541 18852 885 1 7 . 1 1 7 7 GLN CB C 7 28.188 28.188 28.128 0.060 18852 886 1 7 . 1 1 7 7 GLN H H 7 8.424 8.424 7.975 0.449 18852 887 1 7 . 1 1 8 8 ALA N N 8 122.920 122.920 122.353 0.567 18852 888 1 7 . 1 1 8 8 ALA HA H 8 4.217 4.217 3.986 0.231 18852 889 1 7 . 1 1 8 8 ALA C C 8 180.837 180.837 179.334 1.503 18852 890 1 7 . 1 1 8 8 ALA CA C 8 55.319 55.319 54.994 0.325 18852 891 1 7 . 1 1 8 8 ALA CB C 8 17.695 17.695 18.226 -0.531 18852 892 1 7 . 1 1 8 8 ALA H H 8 8.306 8.306 8.168 0.138 18852 893 1 7 . 1 1 9 9 ARG N N 9 118.721 118.721 118.153 0.568 18852 894 1 7 . 1 1 9 9 ARG HA H 9 4.050 4.050 3.989 0.061 18852 895 1 7 . 1 1 9 9 ARG C C 9 178.843 178.843 178.868 -0.025 18852 896 1 7 . 1 1 9 9 ARG CA C 9 59.721 59.721 59.749 -0.028 18852 897 1 7 . 1 1 9 9 ARG CB C 9 30.168 30.168 30.123 0.045 18852 898 1 7 . 1 1 9 9 ARG H H 9 8.263 8.263 7.757 0.506 18852 899 1 7 . 1 1 10 10 ARG N N 10 120.338 120.338 118.456 1.882 18852 900 1 7 . 1 1 10 10 ARG HA H 10 4.074 4.074 4.115 -0.041 18852 901 1 7 . 1 1 10 10 ARG C C 10 179.024 179.024 178.718 0.306 18852 902 1 7 . 1 1 10 10 ARG CA C 10 59.542 59.542 58.773 0.770 18852 903 1 7 . 1 1 10 10 ARG CB C 10 29.904 29.904 29.691 0.213 18852 904 1 7 . 1 1 10 10 ARG H H 10 8.251 8.251 7.664 0.587 18852 905 1 7 . 1 1 11 11 ASN N N 11 118.863 118.863 118.773 0.090 18852 906 1 7 . 1 1 11 11 ASN HA H 11 4.543 4.543 4.454 0.089 18852 907 1 7 . 1 1 11 11 ASN C C 11 177.279 177.279 177.781 -0.502 18852 908 1 7 . 1 1 11 11 ASN CA C 11 55.979 55.979 56.168 -0.189 18852 909 1 7 . 1 1 11 11 ASN CB C 11 37.983 37.983 38.164 -0.181 18852 910 1 7 . 1 1 11 11 ASN H H 11 8.551 8.551 7.919 0.632 18852 911 1 7 . 1 1 12 12 ARG N N 12 120.917 120.917 119.463 1.454 18852 912 1 7 . 1 1 12 12 ARG HA H 12 4.079 4.079 4.014 0.065 18852 913 1 7 . 1 1 12 12 ARG C C 12 178.488 178.488 178.805 -0.317 18852 914 1 7 . 1 1 12 12 ARG CA C 12 59.787 59.787 59.544 0.243 18852 915 1 7 . 1 1 12 12 ARG CB C 12 29.937 29.937 30.149 -0.212 18852 916 1 7 . 1 1 12 12 ARG H H 12 8.253 8.253 8.410 -0.157 18852 917 1 7 . 1 1 13 13 ARG N N 13 119.263 119.263 118.270 0.993 18852 918 1 7 . 1 1 13 13 ARG HA H 13 4.189 4.189 4.236 -0.047 18852 919 1 7 . 1 1 13 13 ARG C C 13 178.479 178.479 179.222 -0.743 18852 920 1 7 . 1 1 13 13 ARG CA C 13 59.572 59.572 58.346 1.226 18852 921 1 7 . 1 1 13 13 ARG CB C 13 30.067 30.067 29.835 0.232 18852 922 1 7 . 1 1 13 13 ARG H H 13 8.167 8.167 7.801 0.366 18852 923 1 7 . 1 1 14 14 ARG N N 14 119.756 119.756 121.289 -1.533 18852 924 1 7 . 1 1 14 14 ARG HA H 14 4.141 4.141 4.094 0.047 18852 925 1 7 . 1 1 14 14 ARG C C 14 178.817 178.817 178.114 0.703 18852 926 1 7 . 1 1 14 14 ARG CA C 14 59.695 59.695 59.334 0.360 18852 927 1 7 . 1 1 14 14 ARG CB C 14 29.812 29.812 30.040 -0.228 18852 928 1 7 . 1 1 14 14 ARG H H 14 8.285 8.285 7.973 0.312 18852 929 1 7 . 1 1 15 15 ARG N N 15 119.026 119.026 119.275 -0.249 18852 930 1 7 . 1 1 15 15 ARG HA H 15 4.158 4.158 4.012 0.146 18852 931 1 7 . 1 1 15 15 ARG C C 15 178.909 178.909 178.510 0.399 18852 932 1 7 . 1 1 15 15 ARG CA C 15 59.233 59.233 59.418 -0.185 18852 933 1 7 . 1 1 15 15 ARG CB C 15 29.772 29.772 29.968 -0.196 18852 934 1 7 . 1 1 15 15 ARG H H 15 8.278 8.278 7.968 0.310 18852 935 1 7 . 1 1 16 16 TRP N N 16 121.055 121.055 120.881 0.174 18852 936 1 7 . 1 1 16 16 TRP HA H 16 4.389 4.389 4.373 0.016 18852 937 1 7 . 1 1 16 16 TRP C C 16 178.621 178.621 177.950 0.671 18852 938 1 7 . 1 1 16 16 TRP CA C 16 61.013 61.013 61.028 -0.015 18852 939 1 7 . 1 1 16 16 TRP CB C 16 28.796 28.796 29.325 -0.529 18852 940 1 7 . 1 1 16 16 TRP H H 16 8.464 8.464 7.794 0.670 18852 941 1 7 . 1 1 17 17 ARG N N 17 119.474 119.474 119.087 0.387 18852 942 1 7 . 1 1 17 17 ARG HA H 17 3.910 3.910 3.491 0.419 18852 943 1 7 . 1 1 17 17 ARG C C 17 179.120 179.120 178.711 0.409 18852 944 1 7 . 1 1 17 17 ARG CA C 17 59.627 59.627 58.733 0.894 18852 945 1 7 . 1 1 17 17 ARG CB C 17 29.907 29.907 29.498 0.409 18852 946 1 7 . 1 1 17 17 ARG H H 17 8.537 8.537 7.638 0.899 18852 947 1 7 . 1 1 18 18 GLU N N 18 119.223 119.223 116.950 2.273 18852 948 1 7 . 1 1 18 18 GLU HA H 18 4.061 4.061 4.080 -0.019 18852 949 1 7 . 1 1 18 18 GLU C C 18 179.163 179.163 179.289 -0.126 18852 950 1 7 . 1 1 18 18 GLU CA C 18 59.138 59.138 58.708 0.430 18852 951 1 7 . 1 1 18 18 GLU CB C 18 29.135 29.135 29.293 -0.158 18852 952 1 7 . 1 1 18 18 GLU H H 18 8.346 8.346 7.891 0.455 18852 953 1 7 . 1 1 19 19 ARG N N 19 119.942 119.942 119.676 0.266 18852 954 1 7 . 1 1 19 19 ARG HA H 19 4.046 4.046 4.103 -0.057 18852 955 1 7 . 1 1 19 19 ARG C C 19 178.634 178.634 178.441 0.193 18852 956 1 7 . 1 1 19 19 ARG CA C 19 59.016 59.016 58.751 0.265 18852 957 1 7 . 1 1 19 19 ARG CB C 19 29.371 29.371 30.139 -0.768 18852 958 1 7 . 1 1 19 19 ARG H H 19 8.104 8.104 7.684 0.420 18852 959 1 7 . 1 1 20 20 GLN N N 20 118.373 118.373 118.818 -0.445 18852 960 1 7 . 1 1 20 20 GLN HA H 20 3.892 3.892 3.888 0.004 18852 961 1 7 . 1 1 20 20 GLN C C 20 178.465 178.465 177.380 1.085 18852 962 1 7 . 1 1 20 20 GLN CA C 20 58.170 58.170 58.837 -0.667 18852 963 1 7 . 1 1 20 20 GLN CB C 20 28.113 28.113 27.935 0.178 18852 964 1 7 . 1 1 20 20 GLN H H 20 8.044 8.044 7.470 0.574 18852 965 1 7 . 1 1 21 21 ARG N N 21 119.374 119.374 119.818 -0.444 18852 966 1 7 . 1 1 21 21 ARG HA H 21 4.034 4.034 3.931 0.103 18852 967 1 7 . 1 1 21 21 ARG C C 21 178.423 178.423 178.321 0.102 18852 968 1 7 . 1 1 21 21 ARG CA C 21 58.765 58.765 58.972 -0.207 18852 969 1 7 . 1 1 21 21 ARG CB C 21 29.676 29.676 29.953 -0.277 18852 970 1 7 . 1 1 21 21 ARG H H 21 8.079 8.079 7.463 0.616 18852 971 1 7 . 1 1 22 22 ALA N N 22 121.393 121.393 120.130 1.263 18852 972 1 7 . 1 1 22 22 ALA HA H 22 4.146 4.146 4.156 -0.010 18852 973 1 7 . 1 1 22 22 ALA C C 22 179.577 179.577 178.227 1.350 18852 974 1 7 . 1 1 22 22 ALA CA C 22 54.267 54.267 54.771 -0.504 18852 975 1 7 . 1 1 22 22 ALA CB C 22 17.831 17.831 18.497 -0.666 18852 976 1 7 . 1 1 22 22 ALA H H 22 8.026 8.026 7.778 0.248 18852 977 1 7 . 1 1 23 23 ALA N N 23 119.867 119.867 120.755 -0.888 18852 978 1 7 . 1 1 23 23 ALA HA H 23 4.158 4.158 4.314 -0.156 18852 979 1 7 . 1 1 23 23 ALA C C 23 178.616 178.616 179.020 -0.404 18852 980 1 7 . 1 1 23 23 ALA CA C 23 53.714 53.714 53.956 -0.242 18852 981 1 7 . 1 1 23 23 ALA CB C 23 18.045 18.045 18.566 -0.521 18852 982 1 7 . 1 1 23 23 ALA H H 23 7.938 7.938 7.496 0.442 18852 983 1 7 . 1 1 24 24 ALA N N 24 119.652 119.652 120.077 -0.425 18852 984 1 7 . 1 1 24 24 ALA HA H 24 4.291 4.291 4.174 0.117 18852 985 1 7 . 1 1 24 24 ALA C C 24 177.528 177.528 177.691 -0.163 18852 986 1 7 . 1 1 24 24 ALA CA C 24 52.706 52.706 53.672 -0.966 18852 987 1 7 . 1 1 24 24 ALA CB C 24 18.591 18.591 19.296 -0.705 18852 988 1 7 . 1 1 24 24 ALA H H 24 7.693 7.693 8.204 -0.511 18852 989 1 7 . 1 1 25 25 ALA N N 25 121.574 121.574 120.731 0.843 18852 990 1 7 . 1 1 25 25 ALA HA H 25 4.329 4.329 4.560 -0.231 18852 991 1 7 . 1 1 25 25 ALA C C 25 176.649 176.649 176.019 0.630 18852 992 1 7 . 1 1 25 25 ALA CA C 25 52.566 52.566 50.673 1.893 18852 993 1 7 . 1 1 25 25 ALA CB C 25 18.630 18.630 20.290 -1.660 18852 994 1 7 . 1 1 25 25 ALA H H 25 7.679 7.679 7.707 -0.028 18852 995 1 8 . 1 1 2 2 ALA HA H 2 4.239 4.239 4.289 -0.050 18852 996 1 8 . 1 1 2 2 ALA C C 2 179.180 179.180 179.547 -0.367 18852 997 1 8 . 1 1 2 2 ALA CA C 2 54.532 54.532 53.838 0.694 18852 998 1 8 . 1 1 2 2 ALA CB C 2 18.397 18.397 18.928 -0.531 18852 999 1 8 . 1 1 3 3 MET N N 3 117.814 117.814 116.587 1.227 18852 1000 1 8 . 1 1 3 3 MET HA H 3 4.354 4.354 4.352 0.002 18852 1001 1 8 . 1 1 3 3 MET C C 3 177.926 177.926 177.371 0.555 18852 1002 1 8 . 1 1 3 3 MET CA C 3 57.876 57.876 57.898 -0.022 18852 1003 1 8 . 1 1 3 3 MET CB C 3 31.673 31.673 32.189 -0.516 18852 1004 1 8 . 1 1 3 3 MET H H 3 8.613 8.613 8.154 0.459 18852 1005 1 8 . 1 1 4 4 ALA N N 4 122.603 122.603 122.002 0.601 18852 1006 1 8 . 1 1 4 4 ALA HA H 4 4.228 4.228 4.200 0.028 18852 1007 1 8 . 1 1 4 4 ALA C C 4 179.940 179.940 179.434 0.506 18852 1008 1 8 . 1 1 4 4 ALA CA C 4 54.689 54.689 54.955 -0.266 18852 1009 1 8 . 1 1 4 4 ALA CB C 4 18.025 18.025 18.225 -0.200 18852 1010 1 8 . 1 1 4 4 ALA H H 4 8.324 8.324 8.193 0.131 18852 1011 1 8 . 1 1 5 5 THR N N 5 112.671 112.671 112.197 0.474 18852 1012 1 8 . 1 1 5 5 THR HA H 5 4.121 4.121 3.959 0.162 18852 1013 1 8 . 1 1 5 5 THR C C 5 176.085 176.085 176.554 -0.469 18852 1014 1 8 . 1 1 5 5 THR CA C 5 65.053 65.053 65.415 -0.361 18852 1015 1 8 . 1 1 5 5 THR CB C 5 68.989 68.989 68.379 0.610 18852 1016 1 8 . 1 1 5 5 THR H H 5 7.966 7.966 7.620 0.346 18852 1017 1 8 . 1 1 6 6 ARG N N 6 122.300 122.300 121.760 0.540 18852 1018 1 8 . 1 1 6 6 ARG HA H 6 4.057 4.057 3.948 0.109 18852 1019 1 8 . 1 1 6 6 ARG C C 6 178.983 178.983 178.627 0.356 18852 1020 1 8 . 1 1 6 6 ARG CA C 6 59.963 59.963 59.225 0.738 18852 1021 1 8 . 1 1 6 6 ARG CB C 6 29.853 29.853 29.599 0.254 18852 1022 1 8 . 1 1 6 6 ARG H H 6 8.244 8.244 7.571 0.673 18852 1023 1 8 . 1 1 7 7 GLN N N 7 118.940 118.940 118.611 0.329 18852 1024 1 8 . 1 1 7 7 GLN HA H 7 4.058 4.058 4.130 -0.072 18852 1025 1 8 . 1 1 7 7 GLN C C 7 177.997 177.997 177.681 0.316 18852 1026 1 8 . 1 1 7 7 GLN CA C 7 58.735 58.735 58.426 0.309 18852 1027 1 8 . 1 1 7 7 GLN CB C 7 28.188 28.188 28.529 -0.341 18852 1028 1 8 . 1 1 7 7 GLN H H 7 8.424 8.424 7.705 0.719 18852 1029 1 8 . 1 1 8 8 ALA N N 8 122.920 122.920 121.934 0.986 18852 1030 1 8 . 1 1 8 8 ALA HA H 8 4.217 4.217 3.980 0.237 18852 1031 1 8 . 1 1 8 8 ALA C C 8 180.837 180.837 179.454 1.383 18852 1032 1 8 . 1 1 8 8 ALA CA C 8 55.319 55.319 55.078 0.241 18852 1033 1 8 . 1 1 8 8 ALA CB C 8 17.695 17.695 18.127 -0.431 18852 1034 1 8 . 1 1 8 8 ALA H H 8 8.306 8.306 7.580 0.726 18852 1035 1 8 . 1 1 9 9 ARG N N 9 118.721 118.721 117.541 1.180 18852 1036 1 8 . 1 1 9 9 ARG HA H 9 4.050 4.050 3.925 0.125 18852 1037 1 8 . 1 1 9 9 ARG C C 9 178.843 178.843 178.808 0.035 18852 1038 1 8 . 1 1 9 9 ARG CA C 9 59.721 59.721 59.585 0.136 18852 1039 1 8 . 1 1 9 9 ARG CB C 9 30.168 30.168 29.810 0.358 18852 1040 1 8 . 1 1 9 9 ARG H H 9 8.263 8.263 7.763 0.500 18852 1041 1 8 . 1 1 10 10 ARG N N 10 120.338 120.338 119.252 1.086 18852 1042 1 8 . 1 1 10 10 ARG HA H 10 4.074 4.074 4.017 0.057 18852 1043 1 8 . 1 1 10 10 ARG C C 10 179.024 179.024 178.743 0.281 18852 1044 1 8 . 1 1 10 10 ARG CA C 10 59.542 59.542 59.397 0.145 18852 1045 1 8 . 1 1 10 10 ARG CB C 10 29.904 29.904 29.721 0.183 18852 1046 1 8 . 1 1 10 10 ARG H H 10 8.251 8.251 7.901 0.350 18852 1047 1 8 . 1 1 11 11 ASN N N 11 118.863 118.863 117.968 0.895 18852 1048 1 8 . 1 1 11 11 ASN HA H 11 4.543 4.543 4.455 0.088 18852 1049 1 8 . 1 1 11 11 ASN C C 11 177.279 177.279 177.793 -0.514 18852 1050 1 8 . 1 1 11 11 ASN CA C 11 55.979 55.979 56.110 -0.131 18852 1051 1 8 . 1 1 11 11 ASN CB C 11 37.983 37.983 38.081 -0.097 18852 1052 1 8 . 1 1 11 11 ASN H H 11 8.551 8.551 7.772 0.779 18852 1053 1 8 . 1 1 12 12 ARG N N 12 120.917 120.917 120.796 0.121 18852 1054 1 8 . 1 1 12 12 ARG HA H 12 4.079 4.079 4.022 0.057 18852 1055 1 8 . 1 1 12 12 ARG C C 12 178.488 178.488 178.818 -0.330 18852 1056 1 8 . 1 1 12 12 ARG CA C 12 59.787 59.787 59.026 0.760 18852 1057 1 8 . 1 1 12 12 ARG CB C 12 29.937 29.937 29.768 0.169 18852 1058 1 8 . 1 1 12 12 ARG H H 12 8.253 8.253 8.532 -0.279 18852 1059 1 8 . 1 1 13 13 ARG N N 13 119.263 119.263 118.091 1.172 18852 1060 1 8 . 1 1 13 13 ARG HA H 13 4.189 4.189 4.254 -0.065 18852 1061 1 8 . 1 1 13 13 ARG C C 13 178.479 178.479 178.867 -0.388 18852 1062 1 8 . 1 1 13 13 ARG CA C 13 59.572 59.572 57.931 1.641 18852 1063 1 8 . 1 1 13 13 ARG CB C 13 30.067 30.067 29.643 0.424 18852 1064 1 8 . 1 1 13 13 ARG H H 13 8.167 8.167 7.722 0.445 18852 1065 1 8 . 1 1 14 14 ARG N N 14 119.756 119.756 119.804 -0.048 18852 1066 1 8 . 1 1 14 14 ARG HA H 14 4.141 4.141 4.104 0.037 18852 1067 1 8 . 1 1 14 14 ARG C C 14 178.817 178.817 178.829 -0.012 18852 1068 1 8 . 1 1 14 14 ARG CA C 14 59.695 59.695 58.812 0.883 18852 1069 1 8 . 1 1 14 14 ARG CB C 14 29.812 29.812 29.730 0.082 18852 1070 1 8 . 1 1 14 14 ARG H H 14 8.285 8.285 8.252 0.033 18852 1071 1 8 . 1 1 15 15 ARG N N 15 119.026 119.026 119.186 -0.160 18852 1072 1 8 . 1 1 15 15 ARG HA H 15 4.158 4.158 4.111 0.047 18852 1073 1 8 . 1 1 15 15 ARG C C 15 178.909 178.909 178.500 0.409 18852 1074 1 8 . 1 1 15 15 ARG CA C 15 59.233 59.233 59.683 -0.450 18852 1075 1 8 . 1 1 15 15 ARG CB C 15 29.772 29.772 30.189 -0.417 18852 1076 1 8 . 1 1 15 15 ARG H H 15 8.278 8.278 8.527 -0.249 18852 1077 1 8 . 1 1 16 16 TRP N N 16 121.055 121.055 120.990 0.065 18852 1078 1 8 . 1 1 16 16 TRP HA H 16 4.389 4.389 4.394 -0.005 18852 1079 1 8 . 1 1 16 16 TRP C C 16 178.621 178.621 178.258 0.363 18852 1080 1 8 . 1 1 16 16 TRP CA C 16 61.013 61.013 60.158 0.855 18852 1081 1 8 . 1 1 16 16 TRP CB C 16 28.796 28.796 29.097 -0.301 18852 1082 1 8 . 1 1 16 16 TRP H H 16 8.464 8.464 7.459 1.005 18852 1083 1 8 . 1 1 17 17 ARG N N 17 119.474 119.474 118.703 0.771 18852 1084 1 8 . 1 1 17 17 ARG HA H 17 3.910 3.910 3.722 0.188 18852 1085 1 8 . 1 1 17 17 ARG C C 17 179.120 179.120 178.775 0.345 18852 1086 1 8 . 1 1 17 17 ARG CA C 17 59.627 59.627 59.062 0.565 18852 1087 1 8 . 1 1 17 17 ARG CB C 17 29.907 29.907 29.602 0.305 18852 1088 1 8 . 1 1 17 17 ARG H H 17 8.537 8.537 7.755 0.782 18852 1089 1 8 . 1 1 18 18 GLU N N 18 119.223 119.223 118.064 1.159 18852 1090 1 8 . 1 1 18 18 GLU HA H 18 4.061 4.061 4.033 0.028 18852 1091 1 8 . 1 1 18 18 GLU C C 18 179.163 179.163 178.934 0.229 18852 1092 1 8 . 1 1 18 18 GLU CA C 18 59.138 59.138 58.994 0.144 18852 1093 1 8 . 1 1 18 18 GLU CB C 18 29.135 29.135 29.432 -0.297 18852 1094 1 8 . 1 1 18 18 GLU H H 18 8.346 8.346 7.748 0.598 18852 1095 1 8 . 1 1 19 19 ARG N N 19 119.942 119.942 119.180 0.762 18852 1096 1 8 . 1 1 19 19 ARG HA H 19 4.046 4.046 4.048 -0.002 18852 1097 1 8 . 1 1 19 19 ARG C C 19 178.634 178.634 179.063 -0.429 18852 1098 1 8 . 1 1 19 19 ARG CA C 19 59.016 59.016 58.895 0.121 18852 1099 1 8 . 1 1 19 19 ARG CB C 19 29.371 29.371 30.228 -0.857 18852 1100 1 8 . 1 1 19 19 ARG H H 19 8.104 8.104 7.637 0.467 18852 1101 1 8 . 1 1 20 20 GLN N N 20 118.373 118.373 118.928 -0.555 18852 1102 1 8 . 1 1 20 20 GLN HA H 20 3.892 3.892 4.024 -0.132 18852 1103 1 8 . 1 1 20 20 GLN C C 20 178.465 178.465 177.610 0.855 18852 1104 1 8 . 1 1 20 20 GLN CA C 20 58.170 58.170 58.278 -0.108 18852 1105 1 8 . 1 1 20 20 GLN CB C 20 28.113 28.113 28.269 -0.156 18852 1106 1 8 . 1 1 20 20 GLN H H 20 8.044 8.044 7.607 0.437 18852 1107 1 8 . 1 1 21 21 ARG N N 21 119.374 119.374 119.764 -0.390 18852 1108 1 8 . 1 1 21 21 ARG HA H 21 4.034 4.034 3.966 0.068 18852 1109 1 8 . 1 1 21 21 ARG C C 21 178.423 178.423 178.236 0.187 18852 1110 1 8 . 1 1 21 21 ARG CA C 21 58.765 58.765 59.206 -0.441 18852 1111 1 8 . 1 1 21 21 ARG CB C 21 29.676 29.676 30.082 -0.406 18852 1112 1 8 . 1 1 21 21 ARG H H 21 8.079 8.079 7.653 0.426 18852 1113 1 8 . 1 1 22 22 ALA N N 22 121.393 121.393 120.377 1.016 18852 1114 1 8 . 1 1 22 22 ALA HA H 22 4.146 4.146 4.096 0.050 18852 1115 1 8 . 1 1 22 22 ALA C C 22 179.577 179.577 178.273 1.304 18852 1116 1 8 . 1 1 22 22 ALA CA C 22 54.267 54.267 54.852 -0.585 18852 1117 1 8 . 1 1 22 22 ALA CB C 22 17.831 17.831 18.424 -0.593 18852 1118 1 8 . 1 1 22 22 ALA H H 22 8.026 8.026 7.465 0.561 18852 1119 1 8 . 1 1 23 23 ALA N N 23 119.867 119.867 120.638 -0.771 18852 1120 1 8 . 1 1 23 23 ALA HA H 23 4.158 4.158 4.328 -0.170 18852 1121 1 8 . 1 1 23 23 ALA C C 23 178.616 178.616 178.889 -0.273 18852 1122 1 8 . 1 1 23 23 ALA CA C 23 53.714 53.714 53.784 -0.070 18852 1123 1 8 . 1 1 23 23 ALA CB C 23 18.045 18.045 18.503 -0.458 18852 1124 1 8 . 1 1 23 23 ALA H H 23 7.938 7.938 7.475 0.463 18852 1125 1 8 . 1 1 24 24 ALA N N 24 119.652 119.652 120.825 -1.173 18852 1126 1 8 . 1 1 24 24 ALA HA H 24 4.291 4.291 4.120 0.171 18852 1127 1 8 . 1 1 24 24 ALA C C 24 177.528 177.528 177.680 -0.152 18852 1128 1 8 . 1 1 24 24 ALA CA C 24 52.706 52.706 53.833 -1.127 18852 1129 1 8 . 1 1 24 24 ALA CB C 24 18.591 18.591 19.269 -0.678 18852 1130 1 8 . 1 1 24 24 ALA H H 24 7.693 7.693 8.151 -0.458 18852 1131 1 8 . 1 1 25 25 ALA N N 25 121.574 121.574 120.284 1.290 18852 1132 1 8 . 1 1 25 25 ALA HA H 25 4.329 4.329 4.572 -0.243 18852 1133 1 8 . 1 1 25 25 ALA C C 25 176.649 176.649 175.901 0.748 18852 1134 1 8 . 1 1 25 25 ALA CA C 25 52.566 52.566 50.713 1.853 18852 1135 1 8 . 1 1 25 25 ALA CB C 25 18.630 18.630 20.680 -2.050 18852 1136 1 8 . 1 1 25 25 ALA H H 25 7.679 7.679 7.692 -0.013 18852 1137 1 9 . 1 1 2 2 ALA HA H 2 4.239 4.239 4.230 0.009 18852 1138 1 9 . 1 1 2 2 ALA C C 2 179.180 179.180 179.552 -0.372 18852 1139 1 9 . 1 1 2 2 ALA CA C 2 54.532 54.532 53.979 0.553 18852 1140 1 9 . 1 1 2 2 ALA CB C 2 18.397 18.397 19.431 -1.034 18852 1141 1 9 . 1 1 3 3 MET N N 3 117.814 117.814 116.592 1.222 18852 1142 1 9 . 1 1 3 3 MET HA H 3 4.354 4.354 4.262 0.092 18852 1143 1 9 . 1 1 3 3 MET C C 3 177.926 177.926 177.483 0.443 18852 1144 1 9 . 1 1 3 3 MET CA C 3 57.876 57.876 57.866 0.010 18852 1145 1 9 . 1 1 3 3 MET CB C 3 31.673 31.673 32.158 -0.485 18852 1146 1 9 . 1 1 3 3 MET H H 3 8.613 8.613 8.130 0.483 18852 1147 1 9 . 1 1 4 4 ALA N N 4 122.603 122.603 121.171 1.432 18852 1148 1 9 . 1 1 4 4 ALA HA H 4 4.228 4.228 4.220 0.008 18852 1149 1 9 . 1 1 4 4 ALA C C 4 179.940 179.940 179.256 0.684 18852 1150 1 9 . 1 1 4 4 ALA CA C 4 54.689 54.689 55.053 -0.364 18852 1151 1 9 . 1 1 4 4 ALA CB C 4 18.025 18.025 17.904 0.121 18852 1152 1 9 . 1 1 4 4 ALA H H 4 8.324 8.324 8.362 -0.038 18852 1153 1 9 . 1 1 5 5 THR N N 5 112.671 112.671 114.827 -2.156 18852 1154 1 9 . 1 1 5 5 THR HA H 5 4.121 4.121 3.952 0.169 18852 1155 1 9 . 1 1 5 5 THR C C 5 176.085 176.085 176.480 -0.395 18852 1156 1 9 . 1 1 5 5 THR CA C 5 65.053 65.053 66.585 -1.532 18852 1157 1 9 . 1 1 5 5 THR CB C 5 68.989 68.989 68.508 0.481 18852 1158 1 9 . 1 1 5 5 THR H H 5 7.966 7.966 7.767 0.199 18852 1159 1 9 . 1 1 6 6 ARG N N 6 122.300 122.300 120.638 1.662 18852 1160 1 9 . 1 1 6 6 ARG HA H 6 4.057 4.057 4.134 -0.077 18852 1161 1 9 . 1 1 6 6 ARG C C 6 178.983 178.983 178.714 0.269 18852 1162 1 9 . 1 1 6 6 ARG CA C 6 59.963 59.963 58.913 1.050 18852 1163 1 9 . 1 1 6 6 ARG CB C 6 29.853 29.853 29.855 -0.002 18852 1164 1 9 . 1 1 6 6 ARG H H 6 8.244 8.244 7.445 0.799 18852 1165 1 9 . 1 1 7 7 GLN N N 7 118.940 118.940 119.785 -0.845 18852 1166 1 9 . 1 1 7 7 GLN HA H 7 4.058 4.058 4.082 -0.024 18852 1167 1 9 . 1 1 7 7 GLN C C 7 177.997 177.997 178.013 -0.016 18852 1168 1 9 . 1 1 7 7 GLN CA C 7 58.735 58.735 58.463 0.272 18852 1169 1 9 . 1 1 7 7 GLN CB C 7 28.188 28.188 28.334 -0.146 18852 1170 1 9 . 1 1 7 7 GLN H H 7 8.424 8.424 7.731 0.693 18852 1171 1 9 . 1 1 8 8 ALA N N 8 122.920 122.920 122.240 0.680 18852 1172 1 9 . 1 1 8 8 ALA HA H 8 4.217 4.217 4.010 0.207 18852 1173 1 9 . 1 1 8 8 ALA C C 8 180.837 180.837 179.523 1.314 18852 1174 1 9 . 1 1 8 8 ALA CA C 8 55.319 55.319 55.006 0.313 18852 1175 1 9 . 1 1 8 8 ALA CB C 8 17.695 17.695 18.192 -0.497 18852 1176 1 9 . 1 1 8 8 ALA H H 8 8.306 8.306 8.468 -0.162 18852 1177 1 9 . 1 1 9 9 ARG N N 9 118.721 118.721 118.447 0.274 18852 1178 1 9 . 1 1 9 9 ARG HA H 9 4.050 4.050 3.970 0.080 18852 1179 1 9 . 1 1 9 9 ARG C C 9 178.843 178.843 178.742 0.101 18852 1180 1 9 . 1 1 9 9 ARG CA C 9 59.721 59.721 59.113 0.608 18852 1181 1 9 . 1 1 9 9 ARG CB C 9 30.168 30.168 29.631 0.537 18852 1182 1 9 . 1 1 9 9 ARG H H 9 8.263 8.263 7.852 0.411 18852 1183 1 9 . 1 1 10 10 ARG N N 10 120.338 120.338 118.347 1.991 18852 1184 1 9 . 1 1 10 10 ARG HA H 10 4.074 4.074 4.101 -0.027 18852 1185 1 9 . 1 1 10 10 ARG C C 10 179.024 179.024 178.764 0.260 18852 1186 1 9 . 1 1 10 10 ARG CA C 10 59.542 59.542 58.919 0.623 18852 1187 1 9 . 1 1 10 10 ARG CB C 10 29.904 29.904 29.322 0.582 18852 1188 1 9 . 1 1 10 10 ARG H H 10 8.251 8.251 7.925 0.326 18852 1189 1 9 . 1 1 11 11 ASN N N 11 118.863 118.863 118.488 0.375 18852 1190 1 9 . 1 1 11 11 ASN HA H 11 4.543 4.543 4.525 0.018 18852 1191 1 9 . 1 1 11 11 ASN C C 11 177.279 177.279 177.561 -0.282 18852 1192 1 9 . 1 1 11 11 ASN CA C 11 55.979 55.979 56.056 -0.077 18852 1193 1 9 . 1 1 11 11 ASN CB C 11 37.983 37.983 38.085 -0.102 18852 1194 1 9 . 1 1 11 11 ASN H H 11 8.551 8.551 8.502 0.049 18852 1195 1 9 . 1 1 12 12 ARG N N 12 120.917 120.917 121.062 -0.145 18852 1196 1 9 . 1 1 12 12 ARG HA H 12 4.079 4.079 4.208 -0.129 18852 1197 1 9 . 1 1 12 12 ARG C C 12 178.488 178.488 178.142 0.346 18852 1198 1 9 . 1 1 12 12 ARG CA C 12 59.787 59.787 58.869 0.918 18852 1199 1 9 . 1 1 12 12 ARG CB C 12 29.937 29.937 30.449 -0.512 18852 1200 1 9 . 1 1 12 12 ARG H H 12 8.253 8.253 8.119 0.134 18852 1201 1 9 . 1 1 13 13 ARG N N 13 119.263 119.263 118.374 0.889 18852 1202 1 9 . 1 1 13 13 ARG HA H 13 4.189 4.189 4.177 0.012 18852 1203 1 9 . 1 1 13 13 ARG C C 13 178.479 178.479 178.606 -0.127 18852 1204 1 9 . 1 1 13 13 ARG CA C 13 59.572 59.572 58.983 0.589 18852 1205 1 9 . 1 1 13 13 ARG CB C 13 30.067 30.067 29.622 0.445 18852 1206 1 9 . 1 1 13 13 ARG H H 13 8.167 8.167 7.944 0.223 18852 1207 1 9 . 1 1 14 14 ARG N N 14 119.756 119.756 120.803 -1.047 18852 1208 1 9 . 1 1 14 14 ARG HA H 14 4.141 4.141 4.081 0.060 18852 1209 1 9 . 1 1 14 14 ARG C C 14 178.817 178.817 178.584 0.233 18852 1210 1 9 . 1 1 14 14 ARG CA C 14 59.695 59.695 59.476 0.219 18852 1211 1 9 . 1 1 14 14 ARG CB C 14 29.812 29.812 30.121 -0.309 18852 1212 1 9 . 1 1 14 14 ARG H H 14 8.285 8.285 8.438 -0.153 18852 1213 1 9 . 1 1 15 15 ARG N N 15 119.026 119.026 118.539 0.487 18852 1214 1 9 . 1 1 15 15 ARG HA H 15 4.158 4.158 4.042 0.116 18852 1215 1 9 . 1 1 15 15 ARG C C 15 178.909 178.909 178.693 0.216 18852 1216 1 9 . 1 1 15 15 ARG CA C 15 59.233 59.233 58.912 0.321 18852 1217 1 9 . 1 1 15 15 ARG CB C 15 29.772 29.772 29.859 -0.087 18852 1218 1 9 . 1 1 15 15 ARG H H 15 8.278 8.278 7.502 0.776 18852 1219 1 9 . 1 1 16 16 TRP N N 16 121.055 121.055 122.042 -0.987 18852 1220 1 9 . 1 1 16 16 TRP HA H 16 4.389 4.389 4.309 0.080 18852 1221 1 9 . 1 1 16 16 TRP C C 16 178.621 178.621 177.994 0.627 18852 1222 1 9 . 1 1 16 16 TRP CA C 16 61.013 61.013 60.913 0.100 18852 1223 1 9 . 1 1 16 16 TRP CB C 16 28.796 28.796 29.078 -0.282 18852 1224 1 9 . 1 1 16 16 TRP H H 16 8.464 8.464 8.144 0.320 18852 1225 1 9 . 1 1 17 17 ARG N N 17 119.474 119.474 118.629 0.845 18852 1226 1 9 . 1 1 17 17 ARG HA H 17 3.910 3.910 3.711 0.199 18852 1227 1 9 . 1 1 17 17 ARG C C 17 179.120 179.120 178.574 0.546 18852 1228 1 9 . 1 1 17 17 ARG CA C 17 59.627 59.627 59.057 0.570 18852 1229 1 9 . 1 1 17 17 ARG CB C 17 29.907 29.907 29.624 0.283 18852 1230 1 9 . 1 1 17 17 ARG H H 17 8.537 8.537 7.598 0.939 18852 1231 1 9 . 1 1 18 18 GLU N N 18 119.223 119.223 117.887 1.336 18852 1232 1 9 . 1 1 18 18 GLU HA H 18 4.061 4.061 4.048 0.013 18852 1233 1 9 . 1 1 18 18 GLU C C 18 179.163 179.163 179.685 -0.522 18852 1234 1 9 . 1 1 18 18 GLU CA C 18 59.138 59.138 58.728 0.410 18852 1235 1 9 . 1 1 18 18 GLU CB C 18 29.135 29.135 29.216 -0.081 18852 1236 1 9 . 1 1 18 18 GLU H H 18 8.346 8.346 7.623 0.723 18852 1237 1 9 . 1 1 19 19 ARG N N 19 119.942 119.942 120.140 -0.198 18852 1238 1 9 . 1 1 19 19 ARG HA H 19 4.046 4.046 4.169 -0.123 18852 1239 1 9 . 1 1 19 19 ARG C C 19 178.634 178.634 178.634 0.000 18852 1240 1 9 . 1 1 19 19 ARG CA C 19 59.016 59.016 57.810 1.206 18852 1241 1 9 . 1 1 19 19 ARG CB C 19 29.371 29.371 29.999 -0.628 18852 1242 1 9 . 1 1 19 19 ARG H H 19 8.104 8.104 8.344 -0.240 18852 1243 1 9 . 1 1 20 20 GLN N N 20 118.373 118.373 119.495 -1.122 18852 1244 1 9 . 1 1 20 20 GLN HA H 20 3.892 3.892 3.876 0.016 18852 1245 1 9 . 1 1 20 20 GLN C C 20 178.465 178.465 177.504 0.961 18852 1246 1 9 . 1 1 20 20 GLN CA C 20 58.170 58.170 58.842 -0.672 18852 1247 1 9 . 1 1 20 20 GLN CB C 20 28.113 28.113 28.181 -0.068 18852 1248 1 9 . 1 1 20 20 GLN H H 20 8.044 8.044 7.954 0.090 18852 1249 1 9 . 1 1 21 21 ARG N N 21 119.374 119.374 119.654 -0.280 18852 1250 1 9 . 1 1 21 21 ARG HA H 21 4.034 4.034 3.980 0.054 18852 1251 1 9 . 1 1 21 21 ARG C C 21 178.423 178.423 178.326 0.097 18852 1252 1 9 . 1 1 21 21 ARG CA C 21 58.765 58.765 58.807 -0.042 18852 1253 1 9 . 1 1 21 21 ARG CB C 21 29.676 29.676 29.828 -0.152 18852 1254 1 9 . 1 1 21 21 ARG H H 21 8.079 8.079 7.484 0.595 18852 1255 1 9 . 1 1 22 22 ALA N N 22 121.393 121.393 120.302 1.091 18852 1256 1 9 . 1 1 22 22 ALA HA H 22 4.146 4.146 4.120 0.026 18852 1257 1 9 . 1 1 22 22 ALA C C 22 179.577 179.577 178.421 1.156 18852 1258 1 9 . 1 1 22 22 ALA CA C 22 54.267 54.267 54.962 -0.695 18852 1259 1 9 . 1 1 22 22 ALA CB C 22 17.831 17.831 18.462 -0.631 18852 1260 1 9 . 1 1 22 22 ALA H H 22 8.026 8.026 7.833 0.193 18852 1261 1 9 . 1 1 23 23 ALA N N 23 119.867 119.867 120.637 -0.770 18852 1262 1 9 . 1 1 23 23 ALA HA H 23 4.158 4.158 4.302 -0.144 18852 1263 1 9 . 1 1 23 23 ALA C C 23 178.616 178.616 178.794 -0.178 18852 1264 1 9 . 1 1 23 23 ALA CA C 23 53.714 53.714 53.882 -0.168 18852 1265 1 9 . 1 1 23 23 ALA CB C 23 18.045 18.045 18.560 -0.515 18852 1266 1 9 . 1 1 23 23 ALA H H 23 7.938 7.938 7.526 0.412 18852 1267 1 9 . 1 1 24 24 ALA N N 24 119.652 119.652 120.518 -0.866 18852 1268 1 9 . 1 1 24 24 ALA HA H 24 4.291 4.291 4.126 0.165 18852 1269 1 9 . 1 1 24 24 ALA C C 24 177.528 177.528 177.570 -0.042 18852 1270 1 9 . 1 1 24 24 ALA CA C 24 52.706 52.706 53.677 -0.971 18852 1271 1 9 . 1 1 24 24 ALA CB C 24 18.591 18.591 19.306 -0.715 18852 1272 1 9 . 1 1 24 24 ALA H H 24 7.693 7.693 8.143 -0.450 18852 1273 1 9 . 1 1 25 25 ALA N N 25 121.574 121.574 120.373 1.201 18852 1274 1 9 . 1 1 25 25 ALA HA H 25 4.329 4.329 4.581 -0.252 18852 1275 1 9 . 1 1 25 25 ALA C C 25 176.649 176.649 175.599 1.050 18852 1276 1 9 . 1 1 25 25 ALA CA C 25 52.566 52.566 50.865 1.701 18852 1277 1 9 . 1 1 25 25 ALA CB C 25 18.630 18.630 20.574 -1.944 18852 1278 1 9 . 1 1 25 25 ALA H H 25 7.679 7.679 7.753 -0.074 18852 1279 1 10 . 1 1 2 2 ALA HA H 2 4.239 4.239 4.287 -0.048 18852 1280 1 10 . 1 1 2 2 ALA C C 2 179.180 179.180 179.186 -0.006 18852 1281 1 10 . 1 1 2 2 ALA CA C 2 54.532 54.532 53.361 1.171 18852 1282 1 10 . 1 1 2 2 ALA CB C 2 18.397 18.397 19.380 -0.983 18852 1283 1 10 . 1 1 3 3 MET N N 3 117.814 117.814 119.267 -1.453 18852 1284 1 10 . 1 1 3 3 MET HA H 3 4.354 4.354 3.984 0.370 18852 1285 1 10 . 1 1 3 3 MET C C 3 177.926 177.926 177.670 0.256 18852 1286 1 10 . 1 1 3 3 MET CA C 3 57.876 57.876 58.553 -0.677 18852 1287 1 10 . 1 1 3 3 MET CB C 3 31.673 31.673 32.344 -0.671 18852 1288 1 10 . 1 1 3 3 MET H H 3 8.613 8.613 8.340 0.273 18852 1289 1 10 . 1 1 4 4 ALA N N 4 122.603 122.603 119.657 2.946 18852 1290 1 10 . 1 1 4 4 ALA HA H 4 4.228 4.228 4.021 0.207 18852 1291 1 10 . 1 1 4 4 ALA C C 4 179.940 179.940 179.350 0.590 18852 1292 1 10 . 1 1 4 4 ALA CA C 4 54.689 54.689 55.357 -0.668 18852 1293 1 10 . 1 1 4 4 ALA CB C 4 18.025 18.025 17.905 0.120 18852 1294 1 10 . 1 1 4 4 ALA H H 4 8.324 8.324 8.353 -0.029 18852 1295 1 10 . 1 1 5 5 THR N N 5 112.671 112.671 112.319 0.352 18852 1296 1 10 . 1 1 5 5 THR HA H 5 4.121 4.121 3.888 0.233 18852 1297 1 10 . 1 1 5 5 THR C C 5 176.085 176.085 176.679 -0.594 18852 1298 1 10 . 1 1 5 5 THR CA C 5 65.053 65.053 65.511 -0.458 18852 1299 1 10 . 1 1 5 5 THR CB C 5 68.989 68.989 68.578 0.411 18852 1300 1 10 . 1 1 5 5 THR H H 5 7.966 7.966 7.623 0.343 18852 1301 1 10 . 1 1 6 6 ARG N N 6 122.300 122.300 121.760 0.540 18852 1302 1 10 . 1 1 6 6 ARG HA H 6 4.057 4.057 3.931 0.126 18852 1303 1 10 . 1 1 6 6 ARG C C 6 178.983 178.983 178.614 0.369 18852 1304 1 10 . 1 1 6 6 ARG CA C 6 59.963 59.963 59.140 0.823 18852 1305 1 10 . 1 1 6 6 ARG CB C 6 29.853 29.853 29.907 -0.054 18852 1306 1 10 . 1 1 6 6 ARG H H 6 8.244 8.244 7.642 0.602 18852 1307 1 10 . 1 1 7 7 GLN N N 7 118.940 118.940 118.306 0.634 18852 1308 1 10 . 1 1 7 7 GLN HA H 7 4.058 4.058 4.092 -0.034 18852 1309 1 10 . 1 1 7 7 GLN C C 7 177.997 177.997 178.076 -0.079 18852 1310 1 10 . 1 1 7 7 GLN CA C 7 58.735 58.735 58.521 0.214 18852 1311 1 10 . 1 1 7 7 GLN CB C 7 28.188 28.188 28.386 -0.198 18852 1312 1 10 . 1 1 7 7 GLN H H 7 8.424 8.424 7.794 0.630 18852 1313 1 10 . 1 1 8 8 ALA N N 8 122.920 122.920 122.626 0.294 18852 1314 1 10 . 1 1 8 8 ALA HA H 8 4.217 4.217 4.071 0.146 18852 1315 1 10 . 1 1 8 8 ALA C C 8 180.837 180.837 179.827 1.010 18852 1316 1 10 . 1 1 8 8 ALA CA C 8 55.319 55.319 54.843 0.476 18852 1317 1 10 . 1 1 8 8 ALA CB C 8 17.695 17.695 18.297 -0.602 18852 1318 1 10 . 1 1 8 8 ALA H H 8 8.306 8.306 7.830 0.476 18852 1319 1 10 . 1 1 9 9 ARG N N 9 118.721 118.721 118.492 0.229 18852 1320 1 10 . 1 1 9 9 ARG HA H 9 4.050 4.050 4.116 -0.066 18852 1321 1 10 . 1 1 9 9 ARG C C 9 178.843 178.843 178.160 0.683 18852 1322 1 10 . 1 1 9 9 ARG CA C 9 59.721 59.721 58.796 0.925 18852 1323 1 10 . 1 1 9 9 ARG CB C 9 30.168 30.168 29.988 0.180 18852 1324 1 10 . 1 1 9 9 ARG H H 9 8.263 8.263 7.865 0.398 18852 1325 1 10 . 1 1 10 10 ARG N N 10 120.338 120.338 118.806 1.532 18852 1326 1 10 . 1 1 10 10 ARG HA H 10 4.074 4.074 4.127 -0.053 18852 1327 1 10 . 1 1 10 10 ARG C C 10 179.024 179.024 178.343 0.681 18852 1328 1 10 . 1 1 10 10 ARG CA C 10 59.542 59.542 59.381 0.161 18852 1329 1 10 . 1 1 10 10 ARG CB C 10 29.904 29.904 29.898 0.006 18852 1330 1 10 . 1 1 10 10 ARG H H 10 8.251 8.251 7.561 0.690 18852 1331 1 10 . 1 1 11 11 ASN N N 11 118.863 118.863 117.831 1.032 18852 1332 1 10 . 1 1 11 11 ASN HA H 11 4.543 4.543 4.436 0.107 18852 1333 1 10 . 1 1 11 11 ASN C C 11 177.279 177.279 177.688 -0.409 18852 1334 1 10 . 1 1 11 11 ASN CA C 11 55.979 55.979 55.823 0.156 18852 1335 1 10 . 1 1 11 11 ASN CB C 11 37.983 37.983 37.750 0.233 18852 1336 1 10 . 1 1 11 11 ASN H H 11 8.551 8.551 8.115 0.436 18852 1337 1 10 . 1 1 12 12 ARG N N 12 120.917 120.917 121.321 -0.404 18852 1338 1 10 . 1 1 12 12 ARG HA H 12 4.079 4.079 3.964 0.115 18852 1339 1 10 . 1 1 12 12 ARG C C 12 178.488 178.488 178.547 -0.059 18852 1340 1 10 . 1 1 12 12 ARG CA C 12 59.787 59.787 59.745 0.042 18852 1341 1 10 . 1 1 12 12 ARG CB C 12 29.937 29.937 30.038 -0.101 18852 1342 1 10 . 1 1 12 12 ARG H H 12 8.253 8.253 7.835 0.418 18852 1343 1 10 . 1 1 13 13 ARG N N 13 119.263 119.263 118.278 0.985 18852 1344 1 10 . 1 1 13 13 ARG HA H 13 4.189 4.189 4.325 -0.136 18852 1345 1 10 . 1 1 13 13 ARG C C 13 178.479 178.479 179.107 -0.628 18852 1346 1 10 . 1 1 13 13 ARG CA C 13 59.572 59.572 59.112 0.460 18852 1347 1 10 . 1 1 13 13 ARG CB C 13 30.067 30.067 29.525 0.542 18852 1348 1 10 . 1 1 13 13 ARG H H 13 8.167 8.167 8.248 -0.081 18852 1349 1 10 . 1 1 14 14 ARG N N 14 119.756 119.756 120.420 -0.664 18852 1350 1 10 . 1 1 14 14 ARG HA H 14 4.141 4.141 4.000 0.141 18852 1351 1 10 . 1 1 14 14 ARG C C 14 178.817 178.817 178.439 0.378 18852 1352 1 10 . 1 1 14 14 ARG CA C 14 59.695 59.695 59.572 0.123 18852 1353 1 10 . 1 1 14 14 ARG CB C 14 29.812 29.812 30.244 -0.432 18852 1354 1 10 . 1 1 14 14 ARG H H 14 8.285 8.285 7.882 0.403 18852 1355 1 10 . 1 1 15 15 ARG N N 15 119.026 119.026 119.584 -0.558 18852 1356 1 10 . 1 1 15 15 ARG HA H 15 4.158 4.158 3.961 0.197 18852 1357 1 10 . 1 1 15 15 ARG C C 15 178.909 178.909 178.707 0.202 18852 1358 1 10 . 1 1 15 15 ARG CA C 15 59.233 59.233 59.279 -0.046 18852 1359 1 10 . 1 1 15 15 ARG CB C 15 29.772 29.772 29.623 0.149 18852 1360 1 10 . 1 1 15 15 ARG H H 15 8.278 8.278 8.293 -0.015 18852 1361 1 10 . 1 1 16 16 TRP N N 16 121.055 121.055 118.201 2.854 18852 1362 1 10 . 1 1 16 16 TRP HA H 16 4.389 4.389 4.383 0.006 18852 1363 1 10 . 1 1 16 16 TRP C C 16 178.621 178.621 178.843 -0.222 18852 1364 1 10 . 1 1 16 16 TRP CA C 16 61.013 61.013 59.614 1.399 18852 1365 1 10 . 1 1 16 16 TRP CB C 16 28.796 28.796 29.369 -0.574 18852 1366 1 10 . 1 1 16 16 TRP H H 16 8.464 8.464 7.986 0.478 18852 1367 1 10 . 1 1 17 17 ARG N N 17 119.474 119.474 119.087 0.387 18852 1368 1 10 . 1 1 17 17 ARG HA H 17 3.910 3.910 4.247 -0.337 18852 1369 1 10 . 1 1 17 17 ARG C C 17 179.120 179.120 178.725 0.395 18852 1370 1 10 . 1 1 17 17 ARG CA C 17 59.627 59.627 58.384 1.243 18852 1371 1 10 . 1 1 17 17 ARG CB C 17 29.907 29.907 29.841 0.066 18852 1372 1 10 . 1 1 17 17 ARG H H 17 8.537 8.537 7.799 0.738 18852 1373 1 10 . 1 1 18 18 GLU N N 18 119.223 119.223 118.495 0.728 18852 1374 1 10 . 1 1 18 18 GLU HA H 18 4.061 4.061 4.082 -0.021 18852 1375 1 10 . 1 1 18 18 GLU C C 18 179.163 179.163 178.889 0.274 18852 1376 1 10 . 1 1 18 18 GLU CA C 18 59.138 59.138 58.948 0.190 18852 1377 1 10 . 1 1 18 18 GLU CB C 18 29.135 29.135 29.442 -0.307 18852 1378 1 10 . 1 1 18 18 GLU H H 18 8.346 8.346 7.993 0.353 18852 1379 1 10 . 1 1 19 19 ARG N N 19 119.942 119.942 118.185 1.757 18852 1380 1 10 . 1 1 19 19 ARG HA H 19 4.046 4.046 4.205 -0.159 18852 1381 1 10 . 1 1 19 19 ARG C C 19 178.634 178.634 178.933 -0.299 18852 1382 1 10 . 1 1 19 19 ARG CA C 19 59.016 59.016 58.876 0.140 18852 1383 1 10 . 1 1 19 19 ARG CB C 19 29.371 29.371 30.557 -1.186 18852 1384 1 10 . 1 1 19 19 ARG H H 19 8.104 8.104 7.974 0.130 18852 1385 1 10 . 1 1 20 20 GLN N N 20 118.373 118.373 119.886 -1.513 18852 1386 1 10 . 1 1 20 20 GLN HA H 20 3.892 3.892 4.144 -0.252 18852 1387 1 10 . 1 1 20 20 GLN C C 20 178.465 178.465 177.805 0.660 18852 1388 1 10 . 1 1 20 20 GLN CA C 20 58.170 58.170 58.822 -0.652 18852 1389 1 10 . 1 1 20 20 GLN CB C 20 28.113 28.113 27.772 0.341 18852 1390 1 10 . 1 1 20 20 GLN H H 20 8.044 8.044 7.813 0.231 18852 1391 1 10 . 1 1 21 21 ARG N N 21 119.374 119.374 119.729 -0.355 18852 1392 1 10 . 1 1 21 21 ARG HA H 21 4.034 4.034 4.034 -0.000 18852 1393 1 10 . 1 1 21 21 ARG C C 21 178.423 178.423 178.443 -0.020 18852 1394 1 10 . 1 1 21 21 ARG CA C 21 58.765 58.765 58.860 -0.095 18852 1395 1 10 . 1 1 21 21 ARG CB C 21 29.676 29.676 29.863 -0.187 18852 1396 1 10 . 1 1 21 21 ARG H H 21 8.079 8.079 7.660 0.419 18852 1397 1 10 . 1 1 22 22 ALA N N 22 121.393 121.393 120.246 1.147 18852 1398 1 10 . 1 1 22 22 ALA HA H 22 4.146 4.146 4.155 -0.009 18852 1399 1 10 . 1 1 22 22 ALA C C 22 179.577 179.577 178.350 1.227 18852 1400 1 10 . 1 1 22 22 ALA CA C 22 54.267 54.267 54.929 -0.663 18852 1401 1 10 . 1 1 22 22 ALA CB C 22 17.831 17.831 18.537 -0.706 18852 1402 1 10 . 1 1 22 22 ALA H H 22 8.026 8.026 7.882 0.144 18852 1403 1 10 . 1 1 23 23 ALA N N 23 119.867 119.867 120.627 -0.760 18852 1404 1 10 . 1 1 23 23 ALA HA H 23 4.158 4.158 4.261 -0.103 18852 1405 1 10 . 1 1 23 23 ALA C C 23 178.616 178.616 179.509 -0.893 18852 1406 1 10 . 1 1 23 23 ALA CA C 23 53.714 53.714 53.843 -0.129 18852 1407 1 10 . 1 1 23 23 ALA CB C 23 18.045 18.045 18.850 -0.805 18852 1408 1 10 . 1 1 23 23 ALA H H 23 7.938 7.938 7.657 0.281 18852 1409 1 10 . 1 1 24 24 ALA N N 24 119.652 119.652 121.494 -1.842 18852 1410 1 10 . 1 1 24 24 ALA HA H 24 4.291 4.291 4.136 0.155 18852 1411 1 10 . 1 1 24 24 ALA C C 24 177.528 177.528 177.638 -0.110 18852 1412 1 10 . 1 1 24 24 ALA CA C 24 52.706 52.706 53.568 -0.862 18852 1413 1 10 . 1 1 24 24 ALA CB C 24 18.591 18.591 19.267 -0.676 18852 1414 1 10 . 1 1 24 24 ALA H H 24 7.693 7.693 8.416 -0.723 18852 1415 1 10 . 1 1 25 25 ALA N N 25 121.574 121.574 120.335 1.239 18852 1416 1 10 . 1 1 25 25 ALA HA H 25 4.329 4.329 4.604 -0.275 18852 1417 1 10 . 1 1 25 25 ALA C C 25 176.649 176.649 175.958 0.691 18852 1418 1 10 . 1 1 25 25 ALA CA C 25 52.566 52.566 50.662 1.904 18852 1419 1 10 . 1 1 25 25 ALA CB C 25 18.630 18.630 20.710 -2.080 18852 1420 1 10 . 1 1 25 25 ALA H H 25 7.679 7.679 7.715 -0.036 18852 1421 1 11 . 1 1 2 2 ALA HA H 2 4.239 4.239 4.251 -0.012 18852 1422 1 11 . 1 1 2 2 ALA C C 2 179.180 179.180 179.323 -0.143 18852 1423 1 11 . 1 1 2 2 ALA CA C 2 54.532 54.532 53.710 0.822 18852 1424 1 11 . 1 1 2 2 ALA CB C 2 18.397 18.397 19.453 -1.056 18852 1425 1 11 . 1 1 3 3 MET N N 3 117.814 117.814 118.076 -0.262 18852 1426 1 11 . 1 1 3 3 MET HA H 3 4.354 4.354 4.334 0.020 18852 1427 1 11 . 1 1 3 3 MET C C 3 177.926 177.926 178.168 -0.242 18852 1428 1 11 . 1 1 3 3 MET CA C 3 57.876 57.876 56.921 0.955 18852 1429 1 11 . 1 1 3 3 MET CB C 3 31.673 31.673 31.676 -0.003 18852 1430 1 11 . 1 1 3 3 MET H H 3 8.613 8.613 8.249 0.364 18852 1431 1 11 . 1 1 4 4 ALA N N 4 122.603 122.603 120.486 2.117 18852 1432 1 11 . 1 1 4 4 ALA HA H 4 4.228 4.228 4.226 0.002 18852 1433 1 11 . 1 1 4 4 ALA C C 4 179.940 179.940 179.275 0.665 18852 1434 1 11 . 1 1 4 4 ALA CA C 4 54.689 54.689 55.171 -0.482 18852 1435 1 11 . 1 1 4 4 ALA CB C 4 18.025 18.025 18.105 -0.080 18852 1436 1 11 . 1 1 4 4 ALA H H 4 8.324 8.324 8.320 0.004 18852 1437 1 11 . 1 1 5 5 THR N N 5 112.671 112.671 114.202 -1.531 18852 1438 1 11 . 1 1 5 5 THR HA H 5 4.121 4.121 4.035 0.086 18852 1439 1 11 . 1 1 5 5 THR C C 5 176.085 176.085 176.355 -0.270 18852 1440 1 11 . 1 1 5 5 THR CA C 5 65.053 65.053 66.658 -1.605 18852 1441 1 11 . 1 1 5 5 THR CB C 5 68.989 68.989 68.626 0.363 18852 1442 1 11 . 1 1 5 5 THR H H 5 7.966 7.966 7.436 0.529 18852 1443 1 11 . 1 1 6 6 ARG N N 6 122.300 122.300 121.535 0.765 18852 1444 1 11 . 1 1 6 6 ARG HA H 6 4.057 4.057 4.081 -0.024 18852 1445 1 11 . 1 1 6 6 ARG C C 6 178.983 178.983 178.752 0.231 18852 1446 1 11 . 1 1 6 6 ARG CA C 6 59.963 59.963 59.158 0.805 18852 1447 1 11 . 1 1 6 6 ARG CB C 6 29.853 29.853 30.041 -0.188 18852 1448 1 11 . 1 1 6 6 ARG H H 6 8.244 8.244 7.403 0.841 18852 1449 1 11 . 1 1 7 7 GLN N N 7 118.940 118.940 118.988 -0.048 18852 1450 1 11 . 1 1 7 7 GLN HA H 7 4.058 4.058 4.068 -0.010 18852 1451 1 11 . 1 1 7 7 GLN C C 7 177.997 177.997 177.811 0.186 18852 1452 1 11 . 1 1 7 7 GLN CA C 7 58.735 58.735 58.258 0.477 18852 1453 1 11 . 1 1 7 7 GLN CB C 7 28.188 28.188 28.229 -0.041 18852 1454 1 11 . 1 1 7 7 GLN H H 7 8.424 8.424 7.724 0.700 18852 1455 1 11 . 1 1 8 8 ALA N N 8 122.920 122.920 121.859 1.061 18852 1456 1 11 . 1 1 8 8 ALA HA H 8 4.217 4.217 4.030 0.187 18852 1457 1 11 . 1 1 8 8 ALA C C 8 180.837 180.837 179.570 1.267 18852 1458 1 11 . 1 1 8 8 ALA CA C 8 55.319 55.319 54.967 0.352 18852 1459 1 11 . 1 1 8 8 ALA CB C 8 17.695 17.695 18.223 -0.528 18852 1460 1 11 . 1 1 8 8 ALA H H 8 8.306 8.306 7.725 0.581 18852 1461 1 11 . 1 1 9 9 ARG N N 9 118.721 118.721 117.761 0.960 18852 1462 1 11 . 1 1 9 9 ARG HA H 9 4.050 4.050 3.969 0.081 18852 1463 1 11 . 1 1 9 9 ARG C C 9 178.843 178.843 178.417 0.426 18852 1464 1 11 . 1 1 9 9 ARG CA C 9 59.721 59.721 59.537 0.184 18852 1465 1 11 . 1 1 9 9 ARG CB C 9 30.168 30.168 29.790 0.378 18852 1466 1 11 . 1 1 9 9 ARG H H 9 8.263 8.263 7.855 0.408 18852 1467 1 11 . 1 1 10 10 ARG N N 10 120.338 120.338 120.026 0.312 18852 1468 1 11 . 1 1 10 10 ARG HA H 10 4.074 4.074 4.015 0.059 18852 1469 1 11 . 1 1 10 10 ARG C C 10 179.024 179.024 178.708 0.316 18852 1470 1 11 . 1 1 10 10 ARG CA C 10 59.542 59.542 59.555 -0.013 18852 1471 1 11 . 1 1 10 10 ARG CB C 10 29.904 29.904 29.812 0.092 18852 1472 1 11 . 1 1 10 10 ARG H H 10 8.251 8.251 7.725 0.526 18852 1473 1 11 . 1 1 11 11 ASN N N 11 118.863 118.863 117.254 1.609 18852 1474 1 11 . 1 1 11 11 ASN HA H 11 4.543 4.543 4.458 0.085 18852 1475 1 11 . 1 1 11 11 ASN C C 11 177.279 177.279 177.786 -0.507 18852 1476 1 11 . 1 1 11 11 ASN CA C 11 55.979 55.979 56.258 -0.279 18852 1477 1 11 . 1 1 11 11 ASN CB C 11 37.983 37.983 38.252 -0.269 18852 1478 1 11 . 1 1 11 11 ASN H H 11 8.551 8.551 7.712 0.839 18852 1479 1 11 . 1 1 12 12 ARG N N 12 120.917 120.917 121.029 -0.112 18852 1480 1 11 . 1 1 12 12 ARG HA H 12 4.079 4.079 3.960 0.119 18852 1481 1 11 . 1 1 12 12 ARG C C 12 178.488 178.488 178.875 -0.387 18852 1482 1 11 . 1 1 12 12 ARG CA C 12 59.787 59.787 59.884 -0.097 18852 1483 1 11 . 1 1 12 12 ARG CB C 12 29.937 29.937 30.202 -0.265 18852 1484 1 11 . 1 1 12 12 ARG H H 12 8.253 8.253 8.511 -0.258 18852 1485 1 11 . 1 1 13 13 ARG N N 13 119.263 119.263 118.481 0.782 18852 1486 1 11 . 1 1 13 13 ARG HA H 13 4.189 4.189 4.190 -0.001 18852 1487 1 11 . 1 1 13 13 ARG C C 13 178.479 178.479 178.640 -0.161 18852 1488 1 11 . 1 1 13 13 ARG CA C 13 59.572 59.572 58.685 0.886 18852 1489 1 11 . 1 1 13 13 ARG CB C 13 30.067 30.067 29.922 0.145 18852 1490 1 11 . 1 1 13 13 ARG H H 13 8.167 8.167 8.311 -0.144 18852 1491 1 11 . 1 1 14 14 ARG N N 14 119.756 119.756 120.295 -0.539 18852 1492 1 11 . 1 1 14 14 ARG HA H 14 4.141 4.141 3.972 0.169 18852 1493 1 11 . 1 1 14 14 ARG C C 14 178.817 178.817 178.716 0.101 18852 1494 1 11 . 1 1 14 14 ARG CA C 14 59.695 59.695 59.864 -0.169 18852 1495 1 11 . 1 1 14 14 ARG CB C 14 29.812 29.812 30.054 -0.242 18852 1496 1 11 . 1 1 14 14 ARG H H 14 8.285 8.285 7.986 0.299 18852 1497 1 11 . 1 1 15 15 ARG N N 15 119.026 119.026 118.682 0.344 18852 1498 1 11 . 1 1 15 15 ARG HA H 15 4.158 4.158 4.120 0.038 18852 1499 1 11 . 1 1 15 15 ARG C C 15 178.909 178.909 178.670 0.239 18852 1500 1 11 . 1 1 15 15 ARG CA C 15 59.233 59.233 59.224 0.009 18852 1501 1 11 . 1 1 15 15 ARG CB C 15 29.772 29.772 29.558 0.214 18852 1502 1 11 . 1 1 15 15 ARG H H 15 8.278 8.278 7.773 0.505 18852 1503 1 11 . 1 1 16 16 TRP N N 16 121.055 121.055 120.068 0.987 18852 1504 1 11 . 1 1 16 16 TRP HA H 16 4.389 4.389 4.405 -0.016 18852 1505 1 11 . 1 1 16 16 TRP C C 16 178.621 178.621 178.150 0.471 18852 1506 1 11 . 1 1 16 16 TRP CA C 16 61.013 61.013 60.646 0.367 18852 1507 1 11 . 1 1 16 16 TRP CB C 16 28.796 28.796 29.241 -0.445 18852 1508 1 11 . 1 1 16 16 TRP H H 16 8.464 8.464 7.702 0.762 18852 1509 1 11 . 1 1 17 17 ARG N N 17 119.474 119.474 118.897 0.577 18852 1510 1 11 . 1 1 17 17 ARG HA H 17 3.910 3.910 3.859 0.051 18852 1511 1 11 . 1 1 17 17 ARG C C 17 179.120 179.120 178.514 0.606 18852 1512 1 11 . 1 1 17 17 ARG CA C 17 59.627 59.627 58.985 0.642 18852 1513 1 11 . 1 1 17 17 ARG CB C 17 29.907 29.907 29.786 0.121 18852 1514 1 11 . 1 1 17 17 ARG H H 17 8.537 8.537 7.674 0.863 18852 1515 1 11 . 1 1 18 18 GLU N N 18 119.223 119.223 118.148 1.075 18852 1516 1 11 . 1 1 18 18 GLU HA H 18 4.061 4.061 4.062 -0.001 18852 1517 1 11 . 1 1 18 18 GLU C C 18 179.163 179.163 179.469 -0.306 18852 1518 1 11 . 1 1 18 18 GLU CA C 18 59.138 59.138 58.942 0.196 18852 1519 1 11 . 1 1 18 18 GLU CB C 18 29.135 29.135 29.505 -0.369 18852 1520 1 11 . 1 1 18 18 GLU H H 18 8.346 8.346 7.742 0.604 18852 1521 1 11 . 1 1 19 19 ARG N N 19 119.942 119.942 119.166 0.776 18852 1522 1 11 . 1 1 19 19 ARG HA H 19 4.046 4.046 4.187 -0.141 18852 1523 1 11 . 1 1 19 19 ARG C C 19 178.634 178.634 178.311 0.323 18852 1524 1 11 . 1 1 19 19 ARG CA C 19 59.016 59.016 58.498 0.518 18852 1525 1 11 . 1 1 19 19 ARG CB C 19 29.371 29.371 30.346 -0.975 18852 1526 1 11 . 1 1 19 19 ARG H H 19 8.104 8.104 8.318 -0.214 18852 1527 1 11 . 1 1 20 20 GLN N N 20 118.373 118.373 119.251 -0.878 18852 1528 1 11 . 1 1 20 20 GLN HA H 20 3.892 3.892 3.930 -0.038 18852 1529 1 11 . 1 1 20 20 GLN C C 20 178.465 178.465 177.339 1.126 18852 1530 1 11 . 1 1 20 20 GLN CA C 20 58.170 58.170 58.724 -0.554 18852 1531 1 11 . 1 1 20 20 GLN CB C 20 28.113 28.113 28.192 -0.079 18852 1532 1 11 . 1 1 20 20 GLN H H 20 8.044 8.044 7.690 0.354 18852 1533 1 11 . 1 1 21 21 ARG N N 21 119.374 119.374 119.681 -0.307 18852 1534 1 11 . 1 1 21 21 ARG HA H 21 4.034 4.034 3.964 0.070 18852 1535 1 11 . 1 1 21 21 ARG C C 21 178.423 178.423 178.359 0.064 18852 1536 1 11 . 1 1 21 21 ARG CA C 21 58.765 58.765 58.986 -0.221 18852 1537 1 11 . 1 1 21 21 ARG CB C 21 29.676 29.676 29.962 -0.285 18852 1538 1 11 . 1 1 21 21 ARG H H 21 8.079 8.079 7.493 0.586 18852 1539 1 11 . 1 1 22 22 ALA N N 22 121.393 121.393 120.276 1.117 18852 1540 1 11 . 1 1 22 22 ALA HA H 22 4.146 4.146 4.127 0.019 18852 1541 1 11 . 1 1 22 22 ALA C C 22 179.577 179.577 178.219 1.358 18852 1542 1 11 . 1 1 22 22 ALA CA C 22 54.267 54.267 54.858 -0.592 18852 1543 1 11 . 1 1 22 22 ALA CB C 22 17.831 17.831 18.487 -0.656 18852 1544 1 11 . 1 1 22 22 ALA H H 22 8.026 8.026 7.713 0.313 18852 1545 1 11 . 1 1 23 23 ALA N N 23 119.867 119.867 120.507 -0.640 18852 1546 1 11 . 1 1 23 23 ALA HA H 23 4.158 4.158 4.285 -0.127 18852 1547 1 11 . 1 1 23 23 ALA C C 23 178.616 178.616 179.201 -0.585 18852 1548 1 11 . 1 1 23 23 ALA CA C 23 53.714 53.714 53.998 -0.284 18852 1549 1 11 . 1 1 23 23 ALA CB C 23 18.045 18.045 18.616 -0.571 18852 1550 1 11 . 1 1 23 23 ALA H H 23 7.938 7.938 7.489 0.449 18852 1551 1 11 . 1 1 24 24 ALA N N 24 119.652 119.652 120.110 -0.458 18852 1552 1 11 . 1 1 24 24 ALA HA H 24 4.291 4.291 4.117 0.174 18852 1553 1 11 . 1 1 24 24 ALA C C 24 177.528 177.528 177.786 -0.258 18852 1554 1 11 . 1 1 24 24 ALA CA C 24 52.706 52.706 53.904 -1.198 18852 1555 1 11 . 1 1 24 24 ALA CB C 24 18.591 18.591 19.120 -0.529 18852 1556 1 11 . 1 1 24 24 ALA H H 24 7.693 7.693 8.236 -0.543 18852 1557 1 11 . 1 1 25 25 ALA N N 25 121.574 121.574 120.735 0.839 18852 1558 1 11 . 1 1 25 25 ALA HA H 25 4.329 4.329 4.530 -0.201 18852 1559 1 11 . 1 1 25 25 ALA C C 25 176.649 176.649 176.009 0.640 18852 1560 1 11 . 1 1 25 25 ALA CA C 25 52.566 52.566 50.840 1.726 18852 1561 1 11 . 1 1 25 25 ALA CB C 25 18.630 18.630 20.047 -1.417 18852 1562 1 11 . 1 1 25 25 ALA H H 25 7.679 7.679 7.718 -0.039 18852 1563 1 12 . 1 1 2 2 ALA HA H 2 4.239 4.239 4.312 -0.073 18852 1564 1 12 . 1 1 2 2 ALA C C 2 179.180 179.180 179.277 -0.097 18852 1565 1 12 . 1 1 2 2 ALA CA C 2 54.532 54.532 53.241 1.291 18852 1566 1 12 . 1 1 2 2 ALA CB C 2 18.397 18.397 19.295 -0.898 18852 1567 1 12 . 1 1 3 3 MET N N 3 117.814 117.814 118.530 -0.716 18852 1568 1 12 . 1 1 3 3 MET HA H 3 4.354 4.354 4.249 0.105 18852 1569 1 12 . 1 1 3 3 MET C C 3 177.926 177.926 178.000 -0.074 18852 1570 1 12 . 1 1 3 3 MET CA C 3 57.876 57.876 57.878 -0.002 18852 1571 1 12 . 1 1 3 3 MET CB C 3 31.673 31.673 32.267 -0.594 18852 1572 1 12 . 1 1 3 3 MET H H 3 8.613 8.613 8.249 0.364 18852 1573 1 12 . 1 1 4 4 ALA N N 4 122.603 122.603 121.358 1.245 18852 1574 1 12 . 1 1 4 4 ALA HA H 4 4.228 4.228 4.181 0.047 18852 1575 1 12 . 1 1 4 4 ALA C C 4 179.940 179.940 179.446 0.494 18852 1576 1 12 . 1 1 4 4 ALA CA C 4 54.689 54.689 55.067 -0.378 18852 1577 1 12 . 1 1 4 4 ALA CB C 4 18.025 18.025 18.132 -0.107 18852 1578 1 12 . 1 1 4 4 ALA H H 4 8.324 8.324 8.283 0.041 18852 1579 1 12 . 1 1 5 5 THR N N 5 112.671 112.671 115.341 -2.670 18852 1580 1 12 . 1 1 5 5 THR HA H 5 4.121 4.121 3.867 0.254 18852 1581 1 12 . 1 1 5 5 THR C C 5 176.085 176.085 176.592 -0.507 18852 1582 1 12 . 1 1 5 5 THR CA C 5 65.053 65.053 66.990 -1.937 18852 1583 1 12 . 1 1 5 5 THR CB C 5 68.989 68.989 68.553 0.436 18852 1584 1 12 . 1 1 5 5 THR H H 5 7.966 7.966 7.663 0.303 18852 1585 1 12 . 1 1 6 6 ARG N N 6 122.300 122.300 121.089 1.211 18852 1586 1 12 . 1 1 6 6 ARG HA H 6 4.057 4.057 3.954 0.103 18852 1587 1 12 . 1 1 6 6 ARG C C 6 178.983 178.983 178.780 0.203 18852 1588 1 12 . 1 1 6 6 ARG CA C 6 59.963 59.963 59.328 0.635 18852 1589 1 12 . 1 1 6 6 ARG CB C 6 29.853 29.853 30.191 -0.338 18852 1590 1 12 . 1 1 6 6 ARG H H 6 8.244 8.244 7.496 0.748 18852 1591 1 12 . 1 1 7 7 GLN N N 7 118.940 118.940 119.234 -0.294 18852 1592 1 12 . 1 1 7 7 GLN HA H 7 4.058 4.058 4.042 0.016 18852 1593 1 12 . 1 1 7 7 GLN C C 7 177.997 177.997 177.990 0.007 18852 1594 1 12 . 1 1 7 7 GLN CA C 7 58.735 58.735 58.548 0.187 18852 1595 1 12 . 1 1 7 7 GLN CB C 7 28.188 28.188 28.279 -0.091 18852 1596 1 12 . 1 1 7 7 GLN H H 7 8.424 8.424 7.729 0.695 18852 1597 1 12 . 1 1 8 8 ALA N N 8 122.920 122.920 122.150 0.770 18852 1598 1 12 . 1 1 8 8 ALA HA H 8 4.217 4.217 4.024 0.193 18852 1599 1 12 . 1 1 8 8 ALA C C 8 180.837 180.837 179.764 1.073 18852 1600 1 12 . 1 1 8 8 ALA CA C 8 55.319 55.319 54.996 0.323 18852 1601 1 12 . 1 1 8 8 ALA CB C 8 17.695 17.695 18.195 -0.500 18852 1602 1 12 . 1 1 8 8 ALA H H 8 8.306 8.306 8.170 0.136 18852 1603 1 12 . 1 1 9 9 ARG N N 9 118.721 118.721 117.952 0.769 18852 1604 1 12 . 1 1 9 9 ARG HA H 9 4.050 4.050 4.075 -0.025 18852 1605 1 12 . 1 1 9 9 ARG C C 9 178.843 178.843 178.877 -0.034 18852 1606 1 12 . 1 1 9 9 ARG CA C 9 59.721 59.721 58.785 0.936 18852 1607 1 12 . 1 1 9 9 ARG CB C 9 30.168 30.168 29.672 0.496 18852 1608 1 12 . 1 1 9 9 ARG H H 9 8.263 8.263 8.106 0.157 18852 1609 1 12 . 1 1 10 10 ARG N N 10 120.338 120.338 119.385 0.953 18852 1610 1 12 . 1 1 10 10 ARG HA H 10 4.074 4.074 4.113 -0.039 18852 1611 1 12 . 1 1 10 10 ARG C C 10 179.024 179.024 178.880 0.144 18852 1612 1 12 . 1 1 10 10 ARG CA C 10 59.542 59.542 59.380 0.162 18852 1613 1 12 . 1 1 10 10 ARG CB C 10 29.904 29.904 29.798 0.106 18852 1614 1 12 . 1 1 10 10 ARG H H 10 8.251 8.251 7.783 0.468 18852 1615 1 12 . 1 1 11 11 ASN N N 11 118.863 118.863 118.019 0.844 18852 1616 1 12 . 1 1 11 11 ASN HA H 11 4.543 4.543 4.631 -0.088 18852 1617 1 12 . 1 1 11 11 ASN C C 11 177.279 177.279 177.716 -0.437 18852 1618 1 12 . 1 1 11 11 ASN CA C 11 55.979 55.979 55.497 0.482 18852 1619 1 12 . 1 1 11 11 ASN CB C 11 37.983 37.983 38.006 -0.023 18852 1620 1 12 . 1 1 11 11 ASN H H 11 8.551 8.551 8.248 0.303 18852 1621 1 12 . 1 1 12 12 ARG N N 12 120.917 120.917 121.489 -0.572 18852 1622 1 12 . 1 1 12 12 ARG HA H 12 4.079 4.079 4.185 -0.106 18852 1623 1 12 . 1 1 12 12 ARG C C 12 178.488 178.488 178.643 -0.155 18852 1624 1 12 . 1 1 12 12 ARG CA C 12 59.787 59.787 59.568 0.219 18852 1625 1 12 . 1 1 12 12 ARG CB C 12 29.937 29.937 30.364 -0.427 18852 1626 1 12 . 1 1 12 12 ARG H H 12 8.253 8.253 7.929 0.324 18852 1627 1 12 . 1 1 13 13 ARG N N 13 119.263 119.263 118.286 0.977 18852 1628 1 12 . 1 1 13 13 ARG HA H 13 4.189 4.189 4.225 -0.036 18852 1629 1 12 . 1 1 13 13 ARG C C 13 178.479 178.479 178.922 -0.443 18852 1630 1 12 . 1 1 13 13 ARG CA C 13 59.572 59.572 57.803 1.769 18852 1631 1 12 . 1 1 13 13 ARG CB C 13 30.067 30.067 29.878 0.189 18852 1632 1 12 . 1 1 13 13 ARG H H 13 8.167 8.167 8.206 -0.039 18852 1633 1 12 . 1 1 14 14 ARG N N 14 119.756 119.756 119.282 0.474 18852 1634 1 12 . 1 1 14 14 ARG HA H 14 4.141 4.141 4.241 -0.100 18852 1635 1 12 . 1 1 14 14 ARG C C 14 178.817 178.817 178.251 0.566 18852 1636 1 12 . 1 1 14 14 ARG CA C 14 59.695 59.695 58.836 0.859 18852 1637 1 12 . 1 1 14 14 ARG CB C 14 29.812 29.812 30.100 -0.288 18852 1638 1 12 . 1 1 14 14 ARG H H 14 8.285 8.285 7.884 0.401 18852 1639 1 12 . 1 1 15 15 ARG N N 15 119.026 119.026 120.510 -1.484 18852 1640 1 12 . 1 1 15 15 ARG HA H 15 4.158 4.158 4.079 0.079 18852 1641 1 12 . 1 1 15 15 ARG C C 15 178.909 178.909 178.165 0.744 18852 1642 1 12 . 1 1 15 15 ARG CA C 15 59.233 59.233 59.723 -0.490 18852 1643 1 12 . 1 1 15 15 ARG CB C 15 29.772 29.772 29.939 -0.167 18852 1644 1 12 . 1 1 15 15 ARG H H 15 8.278 8.278 7.706 0.572 18852 1645 1 12 . 1 1 16 16 TRP N N 16 121.055 121.055 118.128 2.927 18852 1646 1 12 . 1 1 16 16 TRP HA H 16 4.389 4.389 4.440 -0.051 18852 1647 1 12 . 1 1 16 16 TRP C C 16 178.621 178.621 177.484 1.137 18852 1648 1 12 . 1 1 16 16 TRP CA C 16 61.013 61.013 59.231 1.782 18852 1649 1 12 . 1 1 16 16 TRP CB C 16 28.796 28.796 29.479 -0.683 18852 1650 1 12 . 1 1 16 16 TRP H H 16 8.464 8.464 7.917 0.547 18852 1651 1 12 . 1 1 17 17 ARG N N 17 119.474 119.474 120.068 -0.594 18852 1652 1 12 . 1 1 17 17 ARG HA H 17 3.910 3.910 3.899 0.011 18852 1653 1 12 . 1 1 17 17 ARG C C 17 179.120 179.120 177.986 1.134 18852 1654 1 12 . 1 1 17 17 ARG CA C 17 59.627 59.627 58.810 0.817 18852 1655 1 12 . 1 1 17 17 ARG CB C 17 29.907 29.907 30.027 -0.120 18852 1656 1 12 . 1 1 17 17 ARG H H 17 8.537 8.537 7.762 0.775 18852 1657 1 12 . 1 1 18 18 GLU N N 18 119.223 119.223 118.822 0.401 18852 1658 1 12 . 1 1 18 18 GLU HA H 18 4.061 4.061 3.930 0.131 18852 1659 1 12 . 1 1 18 18 GLU C C 18 179.163 179.163 178.965 0.198 18852 1660 1 12 . 1 1 18 18 GLU CA C 18 59.138 59.138 59.118 0.020 18852 1661 1 12 . 1 1 18 18 GLU CB C 18 29.135 29.135 28.873 0.262 18852 1662 1 12 . 1 1 18 18 GLU H H 18 8.346 8.346 8.414 -0.068 18852 1663 1 12 . 1 1 19 19 ARG N N 19 119.942 119.942 118.967 0.975 18852 1664 1 12 . 1 1 19 19 ARG HA H 19 4.046 4.046 4.018 0.028 18852 1665 1 12 . 1 1 19 19 ARG C C 19 178.634 178.634 178.908 -0.274 18852 1666 1 12 . 1 1 19 19 ARG CA C 19 59.016 59.016 58.275 0.741 18852 1667 1 12 . 1 1 19 19 ARG CB C 19 29.371 29.371 29.849 -0.478 18852 1668 1 12 . 1 1 19 19 ARG H H 19 8.104 8.104 8.027 0.077 18852 1669 1 12 . 1 1 20 20 GLN N N 20 118.373 118.373 118.668 -0.295 18852 1670 1 12 . 1 1 20 20 GLN HA H 20 3.892 3.892 3.984 -0.092 18852 1671 1 12 . 1 1 20 20 GLN C C 20 178.465 178.465 177.582 0.883 18852 1672 1 12 . 1 1 20 20 GLN CA C 20 58.170 58.170 57.978 0.192 18852 1673 1 12 . 1 1 20 20 GLN CB C 20 28.113 28.113 28.338 -0.225 18852 1674 1 12 . 1 1 20 20 GLN H H 20 8.044 8.044 7.559 0.485 18852 1675 1 12 . 1 1 21 21 ARG N N 21 119.374 119.374 119.842 -0.468 18852 1676 1 12 . 1 1 21 21 ARG HA H 21 4.034 4.034 3.954 0.080 18852 1677 1 12 . 1 1 21 21 ARG C C 21 178.423 178.423 178.212 0.211 18852 1678 1 12 . 1 1 21 21 ARG CA C 21 58.765 58.765 59.295 -0.530 18852 1679 1 12 . 1 1 21 21 ARG CB C 21 29.676 29.676 30.082 -0.406 18852 1680 1 12 . 1 1 21 21 ARG H H 21 8.079 8.079 7.718 0.361 18852 1681 1 12 . 1 1 22 22 ALA N N 22 121.393 121.393 120.130 1.263 18852 1682 1 12 . 1 1 22 22 ALA HA H 22 4.146 4.146 4.116 0.030 18852 1683 1 12 . 1 1 22 22 ALA C C 22 179.577 179.577 178.273 1.304 18852 1684 1 12 . 1 1 22 22 ALA CA C 22 54.267 54.267 54.788 -0.521 18852 1685 1 12 . 1 1 22 22 ALA CB C 22 17.831 17.831 18.447 -0.616 18852 1686 1 12 . 1 1 22 22 ALA H H 22 8.026 8.026 7.473 0.553 18852 1687 1 12 . 1 1 23 23 ALA N N 23 119.867 119.867 120.411 -0.544 18852 1688 1 12 . 1 1 23 23 ALA HA H 23 4.158 4.158 4.226 -0.068 18852 1689 1 12 . 1 1 23 23 ALA C C 23 178.616 178.616 179.399 -0.783 18852 1690 1 12 . 1 1 23 23 ALA CA C 23 53.714 53.714 54.200 -0.486 18852 1691 1 12 . 1 1 23 23 ALA CB C 23 18.045 18.045 18.691 -0.645 18852 1692 1 12 . 1 1 23 23 ALA H H 23 7.938 7.938 7.582 0.356 18852 1693 1 12 . 1 1 24 24 ALA N N 24 119.652 119.652 120.429 -0.777 18852 1694 1 12 . 1 1 24 24 ALA HA H 24 4.291 4.291 4.135 0.156 18852 1695 1 12 . 1 1 24 24 ALA C C 24 177.528 177.528 177.585 -0.057 18852 1696 1 12 . 1 1 24 24 ALA CA C 24 52.706 52.706 54.119 -1.413 18852 1697 1 12 . 1 1 24 24 ALA CB C 24 18.591 18.591 19.005 -0.414 18852 1698 1 12 . 1 1 24 24 ALA H H 24 7.693 7.693 8.433 -0.740 18852 1699 1 12 . 1 1 25 25 ALA N N 25 121.574 121.574 120.784 0.790 18852 1700 1 12 . 1 1 25 25 ALA HA H 25 4.329 4.329 4.575 -0.246 18852 1701 1 12 . 1 1 25 25 ALA C C 25 176.649 176.649 175.628 1.021 18852 1702 1 12 . 1 1 25 25 ALA CA C 25 52.566 52.566 50.921 1.645 18852 1703 1 12 . 1 1 25 25 ALA CB C 25 18.630 18.630 20.204 -1.574 18852 1704 1 12 . 1 1 25 25 ALA H H 25 7.679 7.679 7.717 -0.038 18852 1705 1 13 . 1 1 2 2 ALA HA H 2 4.239 4.239 4.231 0.008 18852 1706 1 13 . 1 1 2 2 ALA C C 2 179.180 179.180 179.237 -0.057 18852 1707 1 13 . 1 1 2 2 ALA CA C 2 54.532 54.532 54.286 0.246 18852 1708 1 13 . 1 1 2 2 ALA CB C 2 18.397 18.397 18.888 -0.491 18852 1709 1 13 . 1 1 3 3 MET N N 3 117.814 117.814 118.012 -0.198 18852 1710 1 13 . 1 1 3 3 MET HA H 3 4.354 4.354 4.408 -0.054 18852 1711 1 13 . 1 1 3 3 MET C C 3 177.926 177.926 178.398 -0.472 18852 1712 1 13 . 1 1 3 3 MET CA C 3 57.876 57.876 57.064 0.812 18852 1713 1 13 . 1 1 3 3 MET CB C 3 31.673 31.673 32.229 -0.556 18852 1714 1 13 . 1 1 3 3 MET H H 3 8.613 8.613 7.976 0.637 18852 1715 1 13 . 1 1 4 4 ALA N N 4 122.603 122.603 121.934 0.669 18852 1716 1 13 . 1 1 4 4 ALA HA H 4 4.228 4.228 4.046 0.182 18852 1717 1 13 . 1 1 4 4 ALA C C 4 179.940 179.940 179.392 0.548 18852 1718 1 13 . 1 1 4 4 ALA CA C 4 54.689 54.689 55.058 -0.369 18852 1719 1 13 . 1 1 4 4 ALA CB C 4 18.025 18.025 17.905 0.120 18852 1720 1 13 . 1 1 4 4 ALA H H 4 8.324 8.324 8.379 -0.055 18852 1721 1 13 . 1 1 5 5 THR N N 5 112.671 112.671 114.041 -1.370 18852 1722 1 13 . 1 1 5 5 THR HA H 5 4.121 4.121 3.955 0.166 18852 1723 1 13 . 1 1 5 5 THR C C 5 176.085 176.085 176.435 -0.350 18852 1724 1 13 . 1 1 5 5 THR CA C 5 65.053 65.053 66.674 -1.621 18852 1725 1 13 . 1 1 5 5 THR CB C 5 68.989 68.989 68.511 0.478 18852 1726 1 13 . 1 1 5 5 THR H H 5 7.966 7.966 7.772 0.194 18852 1727 1 13 . 1 1 6 6 ARG N N 6 122.300 122.300 121.352 0.948 18852 1728 1 13 . 1 1 6 6 ARG HA H 6 4.057 4.057 4.074 -0.017 18852 1729 1 13 . 1 1 6 6 ARG C C 6 178.983 178.983 178.617 0.366 18852 1730 1 13 . 1 1 6 6 ARG CA C 6 59.963 59.963 59.183 0.780 18852 1731 1 13 . 1 1 6 6 ARG CB C 6 29.853 29.853 30.177 -0.324 18852 1732 1 13 . 1 1 6 6 ARG H H 6 8.244 8.244 8.129 0.115 18852 1733 1 13 . 1 1 7 7 GLN N N 7 118.940 118.940 119.299 -0.359 18852 1734 1 13 . 1 1 7 7 GLN HA H 7 4.058 4.058 4.087 -0.029 18852 1735 1 13 . 1 1 7 7 GLN C C 7 177.997 177.997 177.872 0.125 18852 1736 1 13 . 1 1 7 7 GLN CA C 7 58.735 58.735 58.184 0.551 18852 1737 1 13 . 1 1 7 7 GLN CB C 7 28.188 28.188 28.082 0.106 18852 1738 1 13 . 1 1 7 7 GLN H H 7 8.424 8.424 7.771 0.653 18852 1739 1 13 . 1 1 8 8 ALA N N 8 122.920 122.920 122.203 0.717 18852 1740 1 13 . 1 1 8 8 ALA HA H 8 4.217 4.217 3.966 0.251 18852 1741 1 13 . 1 1 8 8 ALA C C 8 180.837 180.837 179.750 1.087 18852 1742 1 13 . 1 1 8 8 ALA CA C 8 55.319 55.319 54.974 0.345 18852 1743 1 13 . 1 1 8 8 ALA CB C 8 17.695 17.695 18.218 -0.523 18852 1744 1 13 . 1 1 8 8 ALA H H 8 8.306 8.306 8.001 0.305 18852 1745 1 13 . 1 1 9 9 ARG N N 9 118.721 118.721 118.145 0.576 18852 1746 1 13 . 1 1 9 9 ARG HA H 9 4.050 4.050 4.037 0.013 18852 1747 1 13 . 1 1 9 9 ARG C C 9 178.843 178.843 179.069 -0.226 18852 1748 1 13 . 1 1 9 9 ARG CA C 9 59.721 59.721 59.584 0.137 18852 1749 1 13 . 1 1 9 9 ARG CB C 9 30.168 30.168 29.675 0.493 18852 1750 1 13 . 1 1 9 9 ARG H H 9 8.263 8.263 7.888 0.375 18852 1751 1 13 . 1 1 10 10 ARG N N 10 120.338 120.338 119.334 1.004 18852 1752 1 13 . 1 1 10 10 ARG HA H 10 4.074 4.074 4.059 0.015 18852 1753 1 13 . 1 1 10 10 ARG C C 10 179.024 179.024 178.748 0.276 18852 1754 1 13 . 1 1 10 10 ARG CA C 10 59.542 59.542 59.162 0.380 18852 1755 1 13 . 1 1 10 10 ARG CB C 10 29.904 29.904 29.715 0.188 18852 1756 1 13 . 1 1 10 10 ARG H H 10 8.251 8.251 7.719 0.532 18852 1757 1 13 . 1 1 11 11 ASN N N 11 118.863 118.863 118.621 0.242 18852 1758 1 13 . 1 1 11 11 ASN HA H 11 4.543 4.543 4.471 0.072 18852 1759 1 13 . 1 1 11 11 ASN C C 11 177.279 177.279 177.734 -0.455 18852 1760 1 13 . 1 1 11 11 ASN CA C 11 55.979 55.979 56.092 -0.113 18852 1761 1 13 . 1 1 11 11 ASN CB C 11 37.983 37.983 38.097 -0.114 18852 1762 1 13 . 1 1 11 11 ASN H H 11 8.551 8.551 8.368 0.183 18852 1763 1 13 . 1 1 12 12 ARG N N 12 120.917 120.917 120.214 0.703 18852 1764 1 13 . 1 1 12 12 ARG HA H 12 4.079 4.079 4.068 0.011 18852 1765 1 13 . 1 1 12 12 ARG C C 12 178.488 178.488 178.428 0.060 18852 1766 1 13 . 1 1 12 12 ARG CA C 12 59.787 59.787 58.831 0.956 18852 1767 1 13 . 1 1 12 12 ARG CB C 12 29.937 29.937 30.077 -0.140 18852 1768 1 13 . 1 1 12 12 ARG H H 12 8.253 8.253 8.315 -0.062 18852 1769 1 13 . 1 1 13 13 ARG N N 13 119.263 119.263 118.277 0.986 18852 1770 1 13 . 1 1 13 13 ARG HA H 13 4.189 4.189 4.264 -0.075 18852 1771 1 13 . 1 1 13 13 ARG C C 13 178.479 178.479 178.917 -0.438 18852 1772 1 13 . 1 1 13 13 ARG CA C 13 59.572 59.572 58.270 1.302 18852 1773 1 13 . 1 1 13 13 ARG CB C 13 30.067 30.067 29.725 0.342 18852 1774 1 13 . 1 1 13 13 ARG H H 13 8.167 8.167 7.541 0.626 18852 1775 1 13 . 1 1 14 14 ARG N N 14 119.756 119.756 120.375 -0.619 18852 1776 1 13 . 1 1 14 14 ARG HA H 14 4.141 4.141 4.048 0.093 18852 1777 1 13 . 1 1 14 14 ARG C C 14 178.817 178.817 178.155 0.662 18852 1778 1 13 . 1 1 14 14 ARG CA C 14 59.695 59.695 59.429 0.266 18852 1779 1 13 . 1 1 14 14 ARG CB C 14 29.812 29.812 30.065 -0.253 18852 1780 1 13 . 1 1 14 14 ARG H H 14 8.285 8.285 8.166 0.119 18852 1781 1 13 . 1 1 15 15 ARG N N 15 119.026 119.026 120.602 -1.576 18852 1782 1 13 . 1 1 15 15 ARG HA H 15 4.158 4.158 3.968 0.190 18852 1783 1 13 . 1 1 15 15 ARG C C 15 178.909 178.909 178.351 0.558 18852 1784 1 13 . 1 1 15 15 ARG CA C 15 59.233 59.233 59.455 -0.222 18852 1785 1 13 . 1 1 15 15 ARG CB C 15 29.772 29.772 29.480 0.291 18852 1786 1 13 . 1 1 15 15 ARG H H 15 8.278 8.278 7.772 0.506 18852 1787 1 13 . 1 1 16 16 TRP N N 16 121.055 121.055 118.645 2.410 18852 1788 1 13 . 1 1 16 16 TRP HA H 16 4.389 4.389 4.395 -0.006 18852 1789 1 13 . 1 1 16 16 TRP C C 16 178.621 178.621 178.917 -0.296 18852 1790 1 13 . 1 1 16 16 TRP CA C 16 61.013 61.013 59.937 1.076 18852 1791 1 13 . 1 1 16 16 TRP CB C 16 28.796 28.796 29.318 -0.522 18852 1792 1 13 . 1 1 16 16 TRP H H 16 8.464 8.464 7.584 0.880 18852 1793 1 13 . 1 1 17 17 ARG N N 17 119.474 119.474 118.947 0.527 18852 1794 1 13 . 1 1 17 17 ARG HA H 17 3.910 3.910 4.101 -0.191 18852 1795 1 13 . 1 1 17 17 ARG C C 17 179.120 179.120 178.867 0.253 18852 1796 1 13 . 1 1 17 17 ARG CA C 17 59.627 59.627 58.977 0.650 18852 1797 1 13 . 1 1 17 17 ARG CB C 17 29.907 29.907 29.823 0.084 18852 1798 1 13 . 1 1 17 17 ARG H H 17 8.537 8.537 7.572 0.965 18852 1799 1 13 . 1 1 18 18 GLU N N 18 119.223 119.223 118.590 0.633 18852 1800 1 13 . 1 1 18 18 GLU HA H 18 4.061 4.061 4.150 -0.089 18852 1801 1 13 . 1 1 18 18 GLU C C 18 179.163 179.163 179.059 0.104 18852 1802 1 13 . 1 1 18 18 GLU CA C 18 59.138 59.138 58.319 0.819 18852 1803 1 13 . 1 1 18 18 GLU CB C 18 29.135 29.135 29.283 -0.148 18852 1804 1 13 . 1 1 18 18 GLU H H 18 8.346 8.346 8.325 0.021 18852 1805 1 13 . 1 1 19 19 ARG N N 19 119.942 119.942 119.615 0.327 18852 1806 1 13 . 1 1 19 19 ARG HA H 19 4.046 4.046 4.040 0.006 18852 1807 1 13 . 1 1 19 19 ARG C C 19 178.634 178.634 178.660 -0.026 18852 1808 1 13 . 1 1 19 19 ARG CA C 19 59.016 59.016 58.236 0.780 18852 1809 1 13 . 1 1 19 19 ARG CB C 19 29.371 29.371 30.016 -0.645 18852 1810 1 13 . 1 1 19 19 ARG H H 19 8.104 8.104 8.008 0.096 18852 1811 1 13 . 1 1 20 20 GLN N N 20 118.373 118.373 118.084 0.289 18852 1812 1 13 . 1 1 20 20 GLN HA H 20 3.892 3.892 4.247 -0.355 18852 1813 1 13 . 1 1 20 20 GLN C C 20 178.465 178.465 177.907 0.558 18852 1814 1 13 . 1 1 20 20 GLN CA C 20 58.170 58.170 58.401 -0.231 18852 1815 1 13 . 1 1 20 20 GLN CB C 20 28.113 28.113 28.632 -0.519 18852 1816 1 13 . 1 1 20 20 GLN H H 20 8.044 8.044 7.659 0.385 18852 1817 1 13 . 1 1 21 21 ARG N N 21 119.374 119.374 119.490 -0.116 18852 1818 1 13 . 1 1 21 21 ARG HA H 21 4.034 4.034 4.020 0.014 18852 1819 1 13 . 1 1 21 21 ARG C C 21 178.423 178.423 178.087 0.336 18852 1820 1 13 . 1 1 21 21 ARG CA C 21 58.765 58.765 59.199 -0.434 18852 1821 1 13 . 1 1 21 21 ARG CB C 21 29.676 29.676 29.844 -0.168 18852 1822 1 13 . 1 1 21 21 ARG H H 21 8.079 8.079 7.684 0.395 18852 1823 1 13 . 1 1 22 22 ALA N N 22 121.393 121.393 120.115 1.278 18852 1824 1 13 . 1 1 22 22 ALA HA H 22 4.146 4.146 4.130 0.016 18852 1825 1 13 . 1 1 22 22 ALA C C 22 179.577 179.577 178.324 1.253 18852 1826 1 13 . 1 1 22 22 ALA CA C 22 54.267 54.267 54.870 -0.603 18852 1827 1 13 . 1 1 22 22 ALA CB C 22 17.831 17.831 18.468 -0.637 18852 1828 1 13 . 1 1 22 22 ALA H H 22 8.026 8.026 7.621 0.405 18852 1829 1 13 . 1 1 23 23 ALA N N 23 119.867 119.867 120.528 -0.661 18852 1830 1 13 . 1 1 23 23 ALA HA H 23 4.158 4.158 4.260 -0.102 18852 1831 1 13 . 1 1 23 23 ALA C C 23 178.616 178.616 179.534 -0.918 18852 1832 1 13 . 1 1 23 23 ALA CA C 23 53.714 53.714 53.788 -0.074 18852 1833 1 13 . 1 1 23 23 ALA CB C 23 18.045 18.045 18.838 -0.793 18852 1834 1 13 . 1 1 23 23 ALA H H 23 7.938 7.938 7.630 0.308 18852 1835 1 13 . 1 1 24 24 ALA N N 24 119.652 119.652 121.632 -1.980 18852 1836 1 13 . 1 1 24 24 ALA HA H 24 4.291 4.291 4.122 0.169 18852 1837 1 13 . 1 1 24 24 ALA C C 24 177.528 177.528 177.661 -0.133 18852 1838 1 13 . 1 1 24 24 ALA CA C 24 52.706 52.706 53.656 -0.950 18852 1839 1 13 . 1 1 24 24 ALA CB C 24 18.591 18.591 19.256 -0.665 18852 1840 1 13 . 1 1 24 24 ALA H H 24 7.693 7.693 8.415 -0.722 18852 1841 1 13 . 1 1 25 25 ALA N N 25 121.574 121.574 120.513 1.061 18852 1842 1 13 . 1 1 25 25 ALA HA H 25 4.329 4.329 4.590 -0.261 18852 1843 1 13 . 1 1 25 25 ALA C C 25 176.649 176.649 176.019 0.630 18852 1844 1 13 . 1 1 25 25 ALA CA C 25 52.566 52.566 50.668 1.898 18852 1845 1 13 . 1 1 25 25 ALA CB C 25 18.630 18.630 20.522 -1.892 18852 1846 1 13 . 1 1 25 25 ALA H H 25 7.679 7.679 7.729 -0.050 18852 1847 1 14 . 1 1 2 2 ALA HA H 2 4.239 4.239 4.285 -0.046 18852 1848 1 14 . 1 1 2 2 ALA C C 2 179.180 179.180 179.229 -0.049 18852 1849 1 14 . 1 1 2 2 ALA CA C 2 54.532 54.532 53.580 0.952 18852 1850 1 14 . 1 1 2 2 ALA CB C 2 18.397 18.397 19.532 -1.135 18852 1851 1 14 . 1 1 3 3 MET N N 3 117.814 117.814 117.106 0.708 18852 1852 1 14 . 1 1 3 3 MET HA H 3 4.354 4.354 4.329 0.025 18852 1853 1 14 . 1 1 3 3 MET C C 3 177.926 177.926 177.393 0.533 18852 1854 1 14 . 1 1 3 3 MET CA C 3 57.876 57.876 57.841 0.035 18852 1855 1 14 . 1 1 3 3 MET CB C 3 31.673 31.673 32.013 -0.340 18852 1856 1 14 . 1 1 3 3 MET H H 3 8.613 8.613 8.221 0.392 18852 1857 1 14 . 1 1 4 4 ALA N N 4 122.603 122.603 122.101 0.502 18852 1858 1 14 . 1 1 4 4 ALA HA H 4 4.228 4.228 4.072 0.156 18852 1859 1 14 . 1 1 4 4 ALA C C 4 179.940 179.940 179.381 0.559 18852 1860 1 14 . 1 1 4 4 ALA CA C 4 54.689 54.689 55.407 -0.718 18852 1861 1 14 . 1 1 4 4 ALA CB C 4 18.025 18.025 17.847 0.178 18852 1862 1 14 . 1 1 4 4 ALA H H 4 8.324 8.324 8.491 -0.167 18852 1863 1 14 . 1 1 5 5 THR N N 5 112.671 112.671 112.103 0.568 18852 1864 1 14 . 1 1 5 5 THR HA H 5 4.121 4.121 3.993 0.128 18852 1865 1 14 . 1 1 5 5 THR C C 5 176.085 176.085 176.665 -0.580 18852 1866 1 14 . 1 1 5 5 THR CA C 5 65.053 65.053 65.483 -0.430 18852 1867 1 14 . 1 1 5 5 THR CB C 5 68.989 68.989 68.418 0.571 18852 1868 1 14 . 1 1 5 5 THR H H 5 7.966 7.966 7.580 0.386 18852 1869 1 14 . 1 1 6 6 ARG N N 6 122.300 122.300 122.038 0.262 18852 1870 1 14 . 1 1 6 6 ARG HA H 6 4.057 4.057 3.919 0.138 18852 1871 1 14 . 1 1 6 6 ARG C C 6 178.983 178.983 178.920 0.063 18852 1872 1 14 . 1 1 6 6 ARG CA C 6 59.963 59.963 59.525 0.438 18852 1873 1 14 . 1 1 6 6 ARG CB C 6 29.853 29.853 30.098 -0.245 18852 1874 1 14 . 1 1 6 6 ARG H H 6 8.244 8.244 7.505 0.739 18852 1875 1 14 . 1 1 7 7 GLN N N 7 118.940 118.940 119.117 -0.177 18852 1876 1 14 . 1 1 7 7 GLN HA H 7 4.058 4.058 4.071 -0.013 18852 1877 1 14 . 1 1 7 7 GLN C C 7 177.997 177.997 177.703 0.294 18852 1878 1 14 . 1 1 7 7 GLN CA C 7 58.735 58.735 58.570 0.165 18852 1879 1 14 . 1 1 7 7 GLN CB C 7 28.188 28.188 28.603 -0.415 18852 1880 1 14 . 1 1 7 7 GLN H H 7 8.424 8.424 7.999 0.425 18852 1881 1 14 . 1 1 8 8 ALA N N 8 122.920 122.920 121.288 1.632 18852 1882 1 14 . 1 1 8 8 ALA HA H 8 4.217 4.217 4.064 0.153 18852 1883 1 14 . 1 1 8 8 ALA C C 8 180.837 180.837 179.578 1.259 18852 1884 1 14 . 1 1 8 8 ALA CA C 8 55.319 55.319 54.796 0.523 18852 1885 1 14 . 1 1 8 8 ALA CB C 8 17.695 17.695 18.365 -0.670 18852 1886 1 14 . 1 1 8 8 ALA H H 8 8.306 8.306 7.685 0.621 18852 1887 1 14 . 1 1 9 9 ARG N N 9 118.721 118.721 117.568 1.153 18852 1888 1 14 . 1 1 9 9 ARG HA H 9 4.050 4.050 4.200 -0.150 18852 1889 1 14 . 1 1 9 9 ARG C C 9 178.843 178.843 178.478 0.365 18852 1890 1 14 . 1 1 9 9 ARG CA C 9 59.721 59.721 57.813 1.908 18852 1891 1 14 . 1 1 9 9 ARG CB C 9 30.168 30.168 30.183 -0.015 18852 1892 1 14 . 1 1 9 9 ARG H H 9 8.263 8.263 7.758 0.505 18852 1893 1 14 . 1 1 10 10 ARG N N 10 120.338 120.338 119.129 1.209 18852 1894 1 14 . 1 1 10 10 ARG HA H 10 4.074 4.074 3.982 0.092 18852 1895 1 14 . 1 1 10 10 ARG C C 10 179.024 179.024 178.614 0.410 18852 1896 1 14 . 1 1 10 10 ARG CA C 10 59.542 59.542 59.743 -0.201 18852 1897 1 14 . 1 1 10 10 ARG CB C 10 29.904 29.904 29.995 -0.091 18852 1898 1 14 . 1 1 10 10 ARG H H 10 8.251 8.251 7.711 0.540 18852 1899 1 14 . 1 1 11 11 ASN N N 11 118.863 118.863 115.047 3.816 18852 1900 1 14 . 1 1 11 11 ASN HA H 11 4.543 4.543 4.649 -0.106 18852 1901 1 14 . 1 1 11 11 ASN C C 11 177.279 177.279 176.736 0.543 18852 1902 1 14 . 1 1 11 11 ASN CA C 11 55.979 55.979 55.152 0.827 18852 1903 1 14 . 1 1 11 11 ASN CB C 11 37.983 37.983 38.135 -0.152 18852 1904 1 14 . 1 1 11 11 ASN H H 11 8.551 8.551 7.924 0.627 18852 1905 1 14 . 1 1 12 12 ARG N N 12 120.917 120.917 121.445 -0.528 18852 1906 1 14 . 1 1 12 12 ARG HA H 12 4.079 4.079 4.108 -0.029 18852 1907 1 14 . 1 1 12 12 ARG C C 12 178.488 178.488 177.821 0.667 18852 1908 1 14 . 1 1 12 12 ARG CA C 12 59.787 59.787 58.382 1.405 18852 1909 1 14 . 1 1 12 12 ARG CB C 12 29.937 29.937 30.389 -0.452 18852 1910 1 14 . 1 1 12 12 ARG H H 12 8.253 8.253 7.734 0.519 18852 1911 1 14 . 1 1 13 13 ARG N N 13 119.263 119.263 117.170 2.093 18852 1912 1 14 . 1 1 13 13 ARG HA H 13 4.189 4.189 4.366 -0.177 18852 1913 1 14 . 1 1 13 13 ARG C C 13 178.479 178.479 178.405 0.074 18852 1914 1 14 . 1 1 13 13 ARG CA C 13 59.572 59.572 58.106 1.466 18852 1915 1 14 . 1 1 13 13 ARG CB C 13 30.067 30.067 29.703 0.364 18852 1916 1 14 . 1 1 13 13 ARG H H 13 8.167 8.167 8.345 -0.178 18852 1917 1 14 . 1 1 14 14 ARG N N 14 119.756 119.756 120.008 -0.252 18852 1918 1 14 . 1 1 14 14 ARG HA H 14 4.141 4.141 4.252 -0.111 18852 1919 1 14 . 1 1 14 14 ARG C C 14 178.817 178.817 177.992 0.825 18852 1920 1 14 . 1 1 14 14 ARG CA C 14 59.695 59.695 57.679 2.015 18852 1921 1 14 . 1 1 14 14 ARG CB C 14 29.812 29.812 29.906 -0.094 18852 1922 1 14 . 1 1 14 14 ARG H H 14 8.285 8.285 7.705 0.580 18852 1923 1 14 . 1 1 15 15 ARG N N 15 119.026 119.026 120.362 -1.336 18852 1924 1 14 . 1 1 15 15 ARG HA H 15 4.158 4.158 3.928 0.230 18852 1925 1 14 . 1 1 15 15 ARG C C 15 178.909 178.909 178.640 0.269 18852 1926 1 14 . 1 1 15 15 ARG CA C 15 59.233 59.233 59.621 -0.388 18852 1927 1 14 . 1 1 15 15 ARG CB C 15 29.772 29.772 29.756 0.016 18852 1928 1 14 . 1 1 15 15 ARG H H 15 8.278 8.278 7.521 0.757 18852 1929 1 14 . 1 1 16 16 TRP N N 16 121.055 121.055 117.863 3.192 18852 1930 1 14 . 1 1 16 16 TRP HA H 16 4.389 4.389 4.396 -0.007 18852 1931 1 14 . 1 1 16 16 TRP C C 16 178.621 178.621 178.425 0.196 18852 1932 1 14 . 1 1 16 16 TRP CA C 16 61.013 61.013 59.019 1.994 18852 1933 1 14 . 1 1 16 16 TRP CB C 16 28.796 28.796 29.371 -0.575 18852 1934 1 14 . 1 1 16 16 TRP H H 16 8.464 8.464 7.486 0.978 18852 1935 1 14 . 1 1 17 17 ARG N N 17 119.474 119.474 119.808 -0.334 18852 1936 1 14 . 1 1 17 17 ARG HA H 17 3.910 3.910 4.062 -0.152 18852 1937 1 14 . 1 1 17 17 ARG C C 17 179.120 179.120 178.147 0.973 18852 1938 1 14 . 1 1 17 17 ARG CA C 17 59.627 59.627 58.910 0.717 18852 1939 1 14 . 1 1 17 17 ARG CB C 17 29.907 29.907 29.882 0.025 18852 1940 1 14 . 1 1 17 17 ARG H H 17 8.537 8.537 8.052 0.485 18852 1941 1 14 . 1 1 18 18 GLU N N 18 119.223 119.223 117.843 1.380 18852 1942 1 14 . 1 1 18 18 GLU HA H 18 4.061 4.061 4.065 -0.004 18852 1943 1 14 . 1 1 18 18 GLU C C 18 179.163 179.163 178.878 0.285 18852 1944 1 14 . 1 1 18 18 GLU CA C 18 59.138 59.138 58.989 0.149 18852 1945 1 14 . 1 1 18 18 GLU CB C 18 29.135 29.135 28.990 0.145 18852 1946 1 14 . 1 1 18 18 GLU H H 18 8.346 8.346 8.079 0.267 18852 1947 1 14 . 1 1 19 19 ARG N N 19 119.942 119.942 117.420 2.522 18852 1948 1 14 . 1 1 19 19 ARG HA H 19 4.046 4.046 4.300 -0.254 18852 1949 1 14 . 1 1 19 19 ARG C C 19 178.634 178.634 178.859 -0.225 18852 1950 1 14 . 1 1 19 19 ARG CA C 19 59.016 59.016 57.253 1.763 18852 1951 1 14 . 1 1 19 19 ARG CB C 19 29.371 29.371 30.109 -0.738 18852 1952 1 14 . 1 1 19 19 ARG H H 19 8.104 8.104 7.735 0.369 18852 1953 1 14 . 1 1 20 20 GLN N N 20 118.373 118.373 120.542 -2.169 18852 1954 1 14 . 1 1 20 20 GLN HA H 20 3.892 3.892 4.187 -0.295 18852 1955 1 14 . 1 1 20 20 GLN C C 20 178.465 178.465 177.740 0.725 18852 1956 1 14 . 1 1 20 20 GLN CA C 20 58.170 58.170 58.707 -0.537 18852 1957 1 14 . 1 1 20 20 GLN CB C 20 28.113 28.113 28.538 -0.425 18852 1958 1 14 . 1 1 20 20 GLN H H 20 8.044 8.044 8.080 -0.036 18852 1959 1 14 . 1 1 21 21 ARG N N 21 119.374 119.374 120.121 -0.747 18852 1960 1 14 . 1 1 21 21 ARG HA H 21 4.034 4.034 4.023 0.011 18852 1961 1 14 . 1 1 21 21 ARG C C 21 178.423 178.423 178.289 0.134 18852 1962 1 14 . 1 1 21 21 ARG CA C 21 58.765 58.765 58.776 -0.011 18852 1963 1 14 . 1 1 21 21 ARG CB C 21 29.676 29.676 29.605 0.071 18852 1964 1 14 . 1 1 21 21 ARG H H 21 8.079 8.079 7.819 0.260 18852 1965 1 14 . 1 1 22 22 ALA N N 22 121.393 121.393 120.263 1.130 18852 1966 1 14 . 1 1 22 22 ALA HA H 22 4.146 4.146 4.183 -0.037 18852 1967 1 14 . 1 1 22 22 ALA C C 22 179.577 179.577 178.469 1.108 18852 1968 1 14 . 1 1 22 22 ALA CA C 22 54.267 54.267 54.922 -0.655 18852 1969 1 14 . 1 1 22 22 ALA CB C 22 17.831 17.831 18.503 -0.672 18852 1970 1 14 . 1 1 22 22 ALA H H 22 8.026 8.026 7.560 0.466 18852 1971 1 14 . 1 1 23 23 ALA N N 23 119.867 119.867 120.724 -0.857 18852 1972 1 14 . 1 1 23 23 ALA HA H 23 4.158 4.158 4.265 -0.107 18852 1973 1 14 . 1 1 23 23 ALA C C 23 178.616 178.616 179.472 -0.856 18852 1974 1 14 . 1 1 23 23 ALA CA C 23 53.714 53.714 53.857 -0.143 18852 1975 1 14 . 1 1 23 23 ALA CB C 23 18.045 18.045 18.882 -0.837 18852 1976 1 14 . 1 1 23 23 ALA H H 23 7.938 7.938 7.678 0.260 18852 1977 1 14 . 1 1 24 24 ALA N N 24 119.652 119.652 121.427 -1.775 18852 1978 1 14 . 1 1 24 24 ALA HA H 24 4.291 4.291 4.149 0.142 18852 1979 1 14 . 1 1 24 24 ALA C C 24 177.528 177.528 177.654 -0.126 18852 1980 1 14 . 1 1 24 24 ALA CA C 24 52.706 52.706 53.513 -0.807 18852 1981 1 14 . 1 1 24 24 ALA CB C 24 18.591 18.591 19.289 -0.698 18852 1982 1 14 . 1 1 24 24 ALA H H 24 7.693 7.693 8.440 -0.747 18852 1983 1 14 . 1 1 25 25 ALA N N 25 121.574 121.574 120.512 1.062 18852 1984 1 14 . 1 1 25 25 ALA HA H 25 4.329 4.329 4.592 -0.263 18852 1985 1 14 . 1 1 25 25 ALA C C 25 176.649 176.649 175.704 0.945 18852 1986 1 14 . 1 1 25 25 ALA CA C 25 52.566 52.566 50.911 1.655 18852 1987 1 14 . 1 1 25 25 ALA CB C 25 18.630 18.630 20.578 -1.948 18852 1988 1 14 . 1 1 25 25 ALA H H 25 7.679 7.679 7.803 -0.124 18852 1989 1 15 . 1 1 2 2 ALA HA H 2 4.239 4.239 4.186 0.053 18852 1990 1 15 . 1 1 2 2 ALA C C 2 179.180 179.180 179.618 -0.438 18852 1991 1 15 . 1 1 2 2 ALA CA C 2 54.532 54.532 54.181 0.351 18852 1992 1 15 . 1 1 2 2 ALA CB C 2 18.397 18.397 19.343 -0.946 18852 1993 1 15 . 1 1 3 3 MET N N 3 117.814 117.814 117.384 0.430 18852 1994 1 15 . 1 1 3 3 MET HA H 3 4.354 4.354 4.305 0.049 18852 1995 1 15 . 1 1 3 3 MET C C 3 177.926 177.926 178.017 -0.091 18852 1996 1 15 . 1 1 3 3 MET CA C 3 57.876 57.876 57.749 0.127 18852 1997 1 15 . 1 1 3 3 MET CB C 3 31.673 31.673 32.323 -0.650 18852 1998 1 15 . 1 1 3 3 MET H H 3 8.613 8.613 8.291 0.322 18852 1999 1 15 . 1 1 4 4 ALA N N 4 122.603 122.603 122.167 0.436 18852 2000 1 15 . 1 1 4 4 ALA HA H 4 4.228 4.228 4.206 0.022 18852 2001 1 15 . 1 1 4 4 ALA C C 4 179.940 179.940 179.171 0.769 18852 2002 1 15 . 1 1 4 4 ALA CA C 4 54.689 54.689 54.892 -0.203 18852 2003 1 15 . 1 1 4 4 ALA CB C 4 18.025 18.025 18.398 -0.373 18852 2004 1 15 . 1 1 4 4 ALA H H 4 8.324 8.324 8.209 0.115 18852 2005 1 15 . 1 1 5 5 THR N N 5 112.671 112.671 112.034 0.637 18852 2006 1 15 . 1 1 5 5 THR HA H 5 4.121 4.121 4.086 0.035 18852 2007 1 15 . 1 1 5 5 THR C C 5 176.085 176.085 176.535 -0.450 18852 2008 1 15 . 1 1 5 5 THR CA C 5 65.053 65.053 64.904 0.149 18852 2009 1 15 . 1 1 5 5 THR CB C 5 68.989 68.989 68.695 0.294 18852 2010 1 15 . 1 1 5 5 THR H H 5 7.966 7.966 7.993 -0.027 18852 2011 1 15 . 1 1 6 6 ARG N N 6 122.300 122.300 121.984 0.316 18852 2012 1 15 . 1 1 6 6 ARG HA H 6 4.057 4.057 4.091 -0.034 18852 2013 1 15 . 1 1 6 6 ARG C C 6 178.983 178.983 178.942 0.041 18852 2014 1 15 . 1 1 6 6 ARG CA C 6 59.963 59.963 58.698 1.265 18852 2015 1 15 . 1 1 6 6 ARG CB C 6 29.853 29.853 29.714 0.139 18852 2016 1 15 . 1 1 6 6 ARG H H 6 8.244 8.244 7.568 0.676 18852 2017 1 15 . 1 1 7 7 GLN N N 7 118.940 118.940 119.322 -0.382 18852 2018 1 15 . 1 1 7 7 GLN HA H 7 4.058 4.058 4.106 -0.048 18852 2019 1 15 . 1 1 7 7 GLN C C 7 177.997 177.997 177.836 0.161 18852 2020 1 15 . 1 1 7 7 GLN CA C 7 58.735 58.735 58.551 0.184 18852 2021 1 15 . 1 1 7 7 GLN CB C 7 28.188 28.188 28.756 -0.569 18852 2022 1 15 . 1 1 7 7 GLN H H 7 8.424 8.424 7.764 0.660 18852 2023 1 15 . 1 1 8 8 ALA N N 8 122.920 122.920 121.707 1.213 18852 2024 1 15 . 1 1 8 8 ALA HA H 8 4.217 4.217 4.012 0.205 18852 2025 1 15 . 1 1 8 8 ALA C C 8 180.837 180.837 179.589 1.248 18852 2026 1 15 . 1 1 8 8 ALA CA C 8 55.319 55.319 54.857 0.462 18852 2027 1 15 . 1 1 8 8 ALA CB C 8 17.695 17.695 18.292 -0.597 18852 2028 1 15 . 1 1 8 8 ALA H H 8 8.306 8.306 7.729 0.577 18852 2029 1 15 . 1 1 9 9 ARG N N 9 118.721 118.721 118.911 -0.190 18852 2030 1 15 . 1 1 9 9 ARG HA H 9 4.050 4.050 4.052 -0.002 18852 2031 1 15 . 1 1 9 9 ARG C C 9 178.843 178.843 178.581 0.262 18852 2032 1 15 . 1 1 9 9 ARG CA C 9 59.721 59.721 59.057 0.664 18852 2033 1 15 . 1 1 9 9 ARG CB C 9 30.168 30.168 30.143 0.025 18852 2034 1 15 . 1 1 9 9 ARG H H 9 8.263 8.263 7.709 0.554 18852 2035 1 15 . 1 1 10 10 ARG N N 10 120.338 120.338 118.651 1.687 18852 2036 1 15 . 1 1 10 10 ARG HA H 10 4.074 4.074 4.011 0.063 18852 2037 1 15 . 1 1 10 10 ARG C C 10 179.024 179.024 178.706 0.318 18852 2038 1 15 . 1 1 10 10 ARG CA C 10 59.542 59.542 58.922 0.620 18852 2039 1 15 . 1 1 10 10 ARG CB C 10 29.904 29.904 29.344 0.560 18852 2040 1 15 . 1 1 10 10 ARG H H 10 8.251 8.251 7.824 0.427 18852 2041 1 15 . 1 1 11 11 ASN N N 11 118.863 118.863 118.953 -0.090 18852 2042 1 15 . 1 1 11 11 ASN HA H 11 4.543 4.543 4.440 0.103 18852 2043 1 15 . 1 1 11 11 ASN C C 11 177.279 177.279 177.387 -0.108 18852 2044 1 15 . 1 1 11 11 ASN CA C 11 55.979 55.979 56.337 -0.358 18852 2045 1 15 . 1 1 11 11 ASN CB C 11 37.983 37.983 38.089 -0.105 18852 2046 1 15 . 1 1 11 11 ASN H H 11 8.551 8.551 8.710 -0.159 18852 2047 1 15 . 1 1 12 12 ARG N N 12 120.917 120.917 120.264 0.653 18852 2048 1 15 . 1 1 12 12 ARG HA H 12 4.079 4.079 3.987 0.092 18852 2049 1 15 . 1 1 12 12 ARG C C 12 178.488 178.488 178.765 -0.277 18852 2050 1 15 . 1 1 12 12 ARG CA C 12 59.787 59.787 59.701 0.086 18852 2051 1 15 . 1 1 12 12 ARG CB C 12 29.937 29.937 30.175 -0.238 18852 2052 1 15 . 1 1 12 12 ARG H H 12 8.253 8.253 7.792 0.461 18852 2053 1 15 . 1 1 13 13 ARG N N 13 119.263 119.263 118.569 0.694 18852 2054 1 15 . 1 1 13 13 ARG HA H 13 4.189 4.189 4.101 0.088 18852 2055 1 15 . 1 1 13 13 ARG C C 13 178.479 178.479 178.930 -0.451 18852 2056 1 15 . 1 1 13 13 ARG CA C 13 59.572 59.572 59.227 0.345 18852 2057 1 15 . 1 1 13 13 ARG CB C 13 30.067 30.067 29.874 0.193 18852 2058 1 15 . 1 1 13 13 ARG H H 13 8.167 8.167 7.823 0.344 18852 2059 1 15 . 1 1 14 14 ARG N N 14 119.756 119.756 120.073 -0.317 18852 2060 1 15 . 1 1 14 14 ARG HA H 14 4.141 4.141 4.042 0.099 18852 2061 1 15 . 1 1 14 14 ARG C C 14 178.817 178.817 179.041 -0.224 18852 2062 1 15 . 1 1 14 14 ARG CA C 14 59.695 59.695 59.590 0.105 18852 2063 1 15 . 1 1 14 14 ARG CB C 14 29.812 29.812 30.132 -0.320 18852 2064 1 15 . 1 1 14 14 ARG H H 14 8.285 8.285 7.703 0.582 18852 2065 1 15 . 1 1 15 15 ARG N N 15 119.026 119.026 118.936 0.090 18852 2066 1 15 . 1 1 15 15 ARG HA H 15 4.158 4.158 4.201 -0.043 18852 2067 1 15 . 1 1 15 15 ARG C C 15 178.909 178.909 178.753 0.156 18852 2068 1 15 . 1 1 15 15 ARG CA C 15 59.233 59.233 58.913 0.320 18852 2069 1 15 . 1 1 15 15 ARG CB C 15 29.772 29.772 29.692 0.080 18852 2070 1 15 . 1 1 15 15 ARG H H 15 8.278 8.278 8.243 0.035 18852 2071 1 15 . 1 1 16 16 TRP N N 16 121.055 121.055 121.590 -0.535 18852 2072 1 15 . 1 1 16 16 TRP HA H 16 4.389 4.389 4.350 0.039 18852 2073 1 15 . 1 1 16 16 TRP C C 16 178.621 178.621 178.225 0.396 18852 2074 1 15 . 1 1 16 16 TRP CA C 16 61.013 61.013 60.852 0.161 18852 2075 1 15 . 1 1 16 16 TRP CB C 16 28.796 28.796 29.181 -0.385 18852 2076 1 15 . 1 1 16 16 TRP H H 16 8.464 8.464 7.870 0.594 18852 2077 1 15 . 1 1 17 17 ARG N N 17 119.474 119.474 118.327 1.147 18852 2078 1 15 . 1 1 17 17 ARG HA H 17 3.910 3.910 3.767 0.143 18852 2079 1 15 . 1 1 17 17 ARG C C 17 179.120 179.120 178.694 0.426 18852 2080 1 15 . 1 1 17 17 ARG CA C 17 59.627 59.627 59.117 0.510 18852 2081 1 15 . 1 1 17 17 ARG CB C 17 29.907 29.907 29.577 0.330 18852 2082 1 15 . 1 1 17 17 ARG H H 17 8.537 8.537 7.741 0.796 18852 2083 1 15 . 1 1 18 18 GLU N N 18 119.223 119.223 118.599 0.624 18852 2084 1 15 . 1 1 18 18 GLU HA H 18 4.061 4.061 3.978 0.083 18852 2085 1 15 . 1 1 18 18 GLU C C 18 179.163 179.163 179.132 0.031 18852 2086 1 15 . 1 1 18 18 GLU CA C 18 59.138 59.138 59.165 -0.027 18852 2087 1 15 . 1 1 18 18 GLU CB C 18 29.135 29.135 29.299 -0.164 18852 2088 1 15 . 1 1 18 18 GLU H H 18 8.346 8.346 7.680 0.666 18852 2089 1 15 . 1 1 19 19 ARG N N 19 119.942 119.942 118.072 1.870 18852 2090 1 15 . 1 1 19 19 ARG HA H 19 4.046 4.046 4.014 0.031 18852 2091 1 15 . 1 1 19 19 ARG C C 19 178.634 178.634 178.387 0.247 18852 2092 1 15 . 1 1 19 19 ARG CA C 19 59.016 59.016 58.872 0.144 18852 2093 1 15 . 1 1 19 19 ARG CB C 19 29.371 29.371 30.322 -0.951 18852 2094 1 15 . 1 1 19 19 ARG H H 19 8.104 8.104 8.016 0.088 18852 2095 1 15 . 1 1 20 20 GLN N N 20 118.373 118.373 117.520 0.853 18852 2096 1 15 . 1 1 20 20 GLN HA H 20 3.892 3.892 4.108 -0.216 18852 2097 1 15 . 1 1 20 20 GLN C C 20 178.465 178.465 177.850 0.615 18852 2098 1 15 . 1 1 20 20 GLN CA C 20 58.170 58.170 57.857 0.313 18852 2099 1 15 . 1 1 20 20 GLN CB C 20 28.113 28.113 28.625 -0.512 18852 2100 1 15 . 1 1 20 20 GLN H H 20 8.044 8.044 7.623 0.421 18852 2101 1 15 . 1 1 21 21 ARG N N 21 119.374 119.374 120.888 -1.514 18852 2102 1 15 . 1 1 21 21 ARG HA H 21 4.034 4.034 3.952 0.082 18852 2103 1 15 . 1 1 21 21 ARG C C 21 178.423 178.423 178.541 -0.118 18852 2104 1 15 . 1 1 21 21 ARG CA C 21 58.765 58.765 58.723 0.042 18852 2105 1 15 . 1 1 21 21 ARG CB C 21 29.676 29.676 29.512 0.164 18852 2106 1 15 . 1 1 21 21 ARG H H 21 8.079 8.079 7.806 0.273 18852 2107 1 15 . 1 1 22 22 ALA N N 22 121.393 121.393 119.934 1.459 18852 2108 1 15 . 1 1 22 22 ALA HA H 22 4.146 4.146 4.199 -0.053 18852 2109 1 15 . 1 1 22 22 ALA C C 22 179.577 179.577 178.360 1.217 18852 2110 1 15 . 1 1 22 22 ALA CA C 22 54.267 54.267 54.784 -0.517 18852 2111 1 15 . 1 1 22 22 ALA CB C 22 17.831 17.831 18.451 -0.621 18852 2112 1 15 . 1 1 22 22 ALA H H 22 8.026 8.026 7.584 0.442 18852 2113 1 15 . 1 1 23 23 ALA N N 23 119.867 119.867 120.861 -0.994 18852 2114 1 15 . 1 1 23 23 ALA HA H 23 4.158 4.158 4.331 -0.173 18852 2115 1 15 . 1 1 23 23 ALA C C 23 178.616 178.616 178.808 -0.192 18852 2116 1 15 . 1 1 23 23 ALA CA C 23 53.714 53.714 53.850 -0.136 18852 2117 1 15 . 1 1 23 23 ALA CB C 23 18.045 18.045 18.562 -0.517 18852 2118 1 15 . 1 1 23 23 ALA H H 23 7.938 7.938 7.571 0.367 18852 2119 1 15 . 1 1 24 24 ALA N N 24 119.652 119.652 120.405 -0.753 18852 2120 1 15 . 1 1 24 24 ALA HA H 24 4.291 4.291 4.164 0.127 18852 2121 1 15 . 1 1 24 24 ALA C C 24 177.528 177.528 177.604 -0.076 18852 2122 1 15 . 1 1 24 24 ALA CA C 24 52.706 52.706 53.550 -0.844 18852 2123 1 15 . 1 1 24 24 ALA CB C 24 18.591 18.591 19.376 -0.785 18852 2124 1 15 . 1 1 24 24 ALA H H 24 7.693 7.693 8.152 -0.459 18852 2125 1 15 . 1 1 25 25 ALA N N 25 121.574 121.574 120.613 0.961 18852 2126 1 15 . 1 1 25 25 ALA HA H 25 4.329 4.329 4.563 -0.234 18852 2127 1 15 . 1 1 25 25 ALA C C 25 176.649 176.649 176.001 0.648 18852 2128 1 15 . 1 1 25 25 ALA CA C 25 52.566 52.566 50.686 1.880 18852 2129 1 15 . 1 1 25 25 ALA CB C 25 18.630 18.630 20.236 -1.606 18852 2130 1 15 . 1 1 25 25 ALA H H 25 7.679 7.679 7.671 0.008 18852 2131 1 16 . 1 1 2 2 ALA HA H 2 4.239 4.239 4.101 0.138 18852 2132 1 16 . 1 1 2 2 ALA C C 2 179.180 179.180 179.449 -0.269 18852 2133 1 16 . 1 1 2 2 ALA CA C 2 54.532 54.532 54.676 -0.144 18852 2134 1 16 . 1 1 2 2 ALA CB C 2 18.397 18.397 19.390 -0.994 18852 2135 1 16 . 1 1 3 3 MET N N 3 117.814 117.814 118.274 -0.460 18852 2136 1 16 . 1 1 3 3 MET HA H 3 4.354 4.354 4.417 -0.063 18852 2137 1 16 . 1 1 3 3 MET C C 3 177.926 177.926 177.931 -0.005 18852 2138 1 16 . 1 1 3 3 MET CA C 3 57.876 57.876 56.626 1.250 18852 2139 1 16 . 1 1 3 3 MET CB C 3 31.673 31.673 32.096 -0.423 18852 2140 1 16 . 1 1 3 3 MET H H 3 8.613 8.613 8.050 0.563 18852 2141 1 16 . 1 1 4 4 ALA N N 4 122.603 122.603 121.019 1.584 18852 2142 1 16 . 1 1 4 4 ALA HA H 4 4.228 4.228 4.024 0.204 18852 2143 1 16 . 1 1 4 4 ALA C C 4 179.940 179.940 179.345 0.595 18852 2144 1 16 . 1 1 4 4 ALA CA C 4 54.689 54.689 54.994 -0.305 18852 2145 1 16 . 1 1 4 4 ALA CB C 4 18.025 18.025 17.964 0.061 18852 2146 1 16 . 1 1 4 4 ALA H H 4 8.324 8.324 8.306 0.018 18852 2147 1 16 . 1 1 5 5 THR N N 5 112.671 112.671 114.212 -1.541 18852 2148 1 16 . 1 1 5 5 THR HA H 5 4.121 4.121 3.937 0.184 18852 2149 1 16 . 1 1 5 5 THR C C 5 176.085 176.085 177.018 -0.933 18852 2150 1 16 . 1 1 5 5 THR CA C 5 65.053 65.053 66.355 -1.302 18852 2151 1 16 . 1 1 5 5 THR CB C 5 68.989 68.989 68.552 0.437 18852 2152 1 16 . 1 1 5 5 THR H H 5 7.966 7.966 7.829 0.137 18852 2153 1 16 . 1 1 6 6 ARG N N 6 122.300 122.300 122.354 -0.054 18852 2154 1 16 . 1 1 6 6 ARG HA H 6 4.057 4.057 3.941 0.116 18852 2155 1 16 . 1 1 6 6 ARG C C 6 178.983 178.983 178.099 0.884 18852 2156 1 16 . 1 1 6 6 ARG CA C 6 59.963 59.963 59.525 0.438 18852 2157 1 16 . 1 1 6 6 ARG CB C 6 29.853 29.853 29.997 -0.143 18852 2158 1 16 . 1 1 6 6 ARG H H 6 8.244 8.244 7.851 0.393 18852 2159 1 16 . 1 1 7 7 GLN N N 7 118.940 118.940 118.275 0.665 18852 2160 1 16 . 1 1 7 7 GLN HA H 7 4.058 4.058 4.059 -0.001 18852 2161 1 16 . 1 1 7 7 GLN C C 7 177.997 177.997 177.906 0.091 18852 2162 1 16 . 1 1 7 7 GLN CA C 7 58.735 58.735 58.370 0.365 18852 2163 1 16 . 1 1 7 7 GLN CB C 7 28.188 28.188 28.168 0.020 18852 2164 1 16 . 1 1 7 7 GLN H H 7 8.424 8.424 7.845 0.579 18852 2165 1 16 . 1 1 8 8 ALA N N 8 122.920 122.920 121.225 1.695 18852 2166 1 16 . 1 1 8 8 ALA HA H 8 4.217 4.217 4.103 0.114 18852 2167 1 16 . 1 1 8 8 ALA C C 8 180.837 180.837 179.945 0.892 18852 2168 1 16 . 1 1 8 8 ALA CA C 8 55.319 55.319 54.889 0.430 18852 2169 1 16 . 1 1 8 8 ALA CB C 8 17.695 17.695 18.406 -0.711 18852 2170 1 16 . 1 1 8 8 ALA H H 8 8.306 8.306 7.682 0.624 18852 2171 1 16 . 1 1 9 9 ARG N N 9 118.721 118.721 117.821 0.900 18852 2172 1 16 . 1 1 9 9 ARG HA H 9 4.050 4.050 4.160 -0.110 18852 2173 1 16 . 1 1 9 9 ARG C C 9 178.843 178.843 178.733 0.110 18852 2174 1 16 . 1 1 9 9 ARG CA C 9 59.721 59.721 58.565 1.156 18852 2175 1 16 . 1 1 9 9 ARG CB C 9 30.168 30.168 29.900 0.268 18852 2176 1 16 . 1 1 9 9 ARG H H 9 8.263 8.263 7.797 0.466 18852 2177 1 16 . 1 1 10 10 ARG N N 10 120.338 120.338 120.287 0.051 18852 2178 1 16 . 1 1 10 10 ARG HA H 10 4.074 4.074 3.910 0.164 18852 2179 1 16 . 1 1 10 10 ARG C C 10 179.024 179.024 178.555 0.469 18852 2180 1 16 . 1 1 10 10 ARG CA C 10 59.542 59.542 60.047 -0.505 18852 2181 1 16 . 1 1 10 10 ARG CB C 10 29.904 29.904 30.012 -0.108 18852 2182 1 16 . 1 1 10 10 ARG H H 10 8.251 8.251 7.829 0.422 18852 2183 1 16 . 1 1 11 11 ASN N N 11 118.863 118.863 116.734 2.129 18852 2184 1 16 . 1 1 11 11 ASN HA H 11 4.543 4.543 4.506 0.037 18852 2185 1 16 . 1 1 11 11 ASN C C 11 177.279 177.279 177.564 -0.285 18852 2186 1 16 . 1 1 11 11 ASN CA C 11 55.979 55.979 55.737 0.242 18852 2187 1 16 . 1 1 11 11 ASN CB C 11 37.983 37.983 37.662 0.321 18852 2188 1 16 . 1 1 11 11 ASN H H 11 8.551 8.551 7.898 0.653 18852 2189 1 16 . 1 1 12 12 ARG N N 12 120.917 120.917 121.129 -0.212 18852 2190 1 16 . 1 1 12 12 ARG HA H 12 4.079 4.079 3.971 0.108 18852 2191 1 16 . 1 1 12 12 ARG C C 12 178.488 178.488 178.904 -0.416 18852 2192 1 16 . 1 1 12 12 ARG CA C 12 59.787 59.787 59.776 0.011 18852 2193 1 16 . 1 1 12 12 ARG CB C 12 29.937 29.937 30.128 -0.191 18852 2194 1 16 . 1 1 12 12 ARG H H 12 8.253 8.253 7.736 0.517 18852 2195 1 16 . 1 1 13 13 ARG N N 13 119.263 119.263 118.066 1.197 18852 2196 1 16 . 1 1 13 13 ARG HA H 13 4.189 4.189 4.237 -0.048 18852 2197 1 16 . 1 1 13 13 ARG C C 13 178.479 178.479 178.675 -0.196 18852 2198 1 16 . 1 1 13 13 ARG CA C 13 59.572 59.572 59.159 0.413 18852 2199 1 16 . 1 1 13 13 ARG CB C 13 30.067 30.067 30.109 -0.042 18852 2200 1 16 . 1 1 13 13 ARG H H 13 8.167 8.167 8.292 -0.125 18852 2201 1 16 . 1 1 14 14 ARG N N 14 119.756 119.756 120.257 -0.501 18852 2202 1 16 . 1 1 14 14 ARG HA H 14 4.141 4.141 4.118 0.023 18852 2203 1 16 . 1 1 14 14 ARG C C 14 178.817 178.817 178.182 0.635 18852 2204 1 16 . 1 1 14 14 ARG CA C 14 59.695 59.695 58.985 0.710 18852 2205 1 16 . 1 1 14 14 ARG CB C 14 29.812 29.812 29.854 -0.042 18852 2206 1 16 . 1 1 14 14 ARG H H 14 8.285 8.285 7.525 0.760 18852 2207 1 16 . 1 1 15 15 ARG N N 15 119.026 119.026 119.963 -0.937 18852 2208 1 16 . 1 1 15 15 ARG HA H 15 4.158 4.158 3.981 0.177 18852 2209 1 16 . 1 1 15 15 ARG C C 15 178.909 178.909 178.453 0.456 18852 2210 1 16 . 1 1 15 15 ARG CA C 15 59.233 59.233 59.705 -0.472 18852 2211 1 16 . 1 1 15 15 ARG CB C 15 29.772 29.772 29.870 -0.098 18852 2212 1 16 . 1 1 15 15 ARG H H 15 8.278 8.278 7.997 0.281 18852 2213 1 16 . 1 1 16 16 TRP N N 16 121.055 121.055 119.827 1.228 18852 2214 1 16 . 1 1 16 16 TRP HA H 16 4.389 4.389 4.368 0.021 18852 2215 1 16 . 1 1 16 16 TRP C C 16 178.621 178.621 178.015 0.606 18852 2216 1 16 . 1 1 16 16 TRP CA C 16 61.013 61.013 60.398 0.615 18852 2217 1 16 . 1 1 16 16 TRP CB C 16 28.796 28.796 29.113 -0.317 18852 2218 1 16 . 1 1 16 16 TRP H H 16 8.464 8.464 7.807 0.657 18852 2219 1 16 . 1 1 17 17 ARG N N 17 119.474 119.474 118.594 0.880 18852 2220 1 16 . 1 1 17 17 ARG HA H 17 3.910 3.910 3.877 0.033 18852 2221 1 16 . 1 1 17 17 ARG C C 17 179.120 179.120 178.836 0.284 18852 2222 1 16 . 1 1 17 17 ARG CA C 17 59.627 59.627 58.392 1.235 18852 2223 1 16 . 1 1 17 17 ARG CB C 17 29.907 29.907 29.921 -0.014 18852 2224 1 16 . 1 1 17 17 ARG H H 17 8.537 8.537 7.327 1.210 18852 2225 1 16 . 1 1 18 18 GLU N N 18 119.223 119.223 119.446 -0.223 18852 2226 1 16 . 1 1 18 18 GLU HA H 18 4.061 4.061 4.053 0.008 18852 2227 1 16 . 1 1 18 18 GLU C C 18 179.163 179.163 179.362 -0.199 18852 2228 1 16 . 1 1 18 18 GLU CA C 18 59.138 59.138 59.181 -0.043 18852 2229 1 16 . 1 1 18 18 GLU CB C 18 29.135 29.135 29.183 -0.048 18852 2230 1 16 . 1 1 18 18 GLU H H 18 8.346 8.346 8.494 -0.148 18852 2231 1 16 . 1 1 19 19 ARG N N 19 119.942 119.942 118.724 1.218 18852 2232 1 16 . 1 1 19 19 ARG HA H 19 4.046 4.046 4.233 -0.187 18852 2233 1 16 . 1 1 19 19 ARG C C 19 178.634 178.634 178.615 0.019 18852 2234 1 16 . 1 1 19 19 ARG CA C 19 59.016 59.016 58.236 0.780 18852 2235 1 16 . 1 1 19 19 ARG CB C 19 29.371 29.371 30.229 -0.858 18852 2236 1 16 . 1 1 19 19 ARG H H 19 8.104 8.104 8.637 -0.533 18852 2237 1 16 . 1 1 20 20 GLN N N 20 118.373 118.373 119.611 -1.238 18852 2238 1 16 . 1 1 20 20 GLN HA H 20 3.892 3.892 4.044 -0.152 18852 2239 1 16 . 1 1 20 20 GLN C C 20 178.465 178.465 177.572 0.893 18852 2240 1 16 . 1 1 20 20 GLN CA C 20 58.170 58.170 59.021 -0.851 18852 2241 1 16 . 1 1 20 20 GLN CB C 20 28.113 28.113 28.102 0.011 18852 2242 1 16 . 1 1 20 20 GLN H H 20 8.044 8.044 7.947 0.097 18852 2243 1 16 . 1 1 21 21 ARG N N 21 119.374 119.374 119.452 -0.078 18852 2244 1 16 . 1 1 21 21 ARG HA H 21 4.034 4.034 3.973 0.061 18852 2245 1 16 . 1 1 21 21 ARG C C 21 178.423 178.423 178.372 0.051 18852 2246 1 16 . 1 1 21 21 ARG CA C 21 58.765 58.765 58.874 -0.109 18852 2247 1 16 . 1 1 21 21 ARG CB C 21 29.676 29.676 29.713 -0.037 18852 2248 1 16 . 1 1 21 21 ARG H H 21 8.079 8.079 7.623 0.456 18852 2249 1 16 . 1 1 22 22 ALA N N 22 121.393 121.393 120.562 0.831 18852 2250 1 16 . 1 1 22 22 ALA HA H 22 4.146 4.146 4.051 0.095 18852 2251 1 16 . 1 1 22 22 ALA C C 22 179.577 179.577 178.391 1.186 18852 2252 1 16 . 1 1 22 22 ALA CA C 22 54.267 54.267 54.988 -0.721 18852 2253 1 16 . 1 1 22 22 ALA CB C 22 17.831 17.831 18.439 -0.608 18852 2254 1 16 . 1 1 22 22 ALA H H 22 8.026 8.026 7.765 0.261 18852 2255 1 16 . 1 1 23 23 ALA N N 23 119.867 119.867 120.482 -0.615 18852 2256 1 16 . 1 1 23 23 ALA HA H 23 4.158 4.158 4.098 0.060 18852 2257 1 16 . 1 1 23 23 ALA C C 23 178.616 178.616 179.518 -0.902 18852 2258 1 16 . 1 1 23 23 ALA CA C 23 53.714 53.714 53.992 -0.278 18852 2259 1 16 . 1 1 23 23 ALA CB C 23 18.045 18.045 18.849 -0.805 18852 2260 1 16 . 1 1 23 23 ALA H H 23 7.938 7.938 7.441 0.497 18852 2261 1 16 . 1 1 24 24 ALA N N 24 119.652 119.652 121.147 -1.495 18852 2262 1 16 . 1 1 24 24 ALA HA H 24 4.291 4.291 4.059 0.232 18852 2263 1 16 . 1 1 24 24 ALA C C 24 177.528 177.528 177.898 -0.370 18852 2264 1 16 . 1 1 24 24 ALA CA C 24 52.706 52.706 54.246 -1.540 18852 2265 1 16 . 1 1 24 24 ALA CB C 24 18.591 18.591 19.020 -0.429 18852 2266 1 16 . 1 1 24 24 ALA H H 24 7.693 7.693 8.339 -0.646 18852 2267 1 16 . 1 1 25 25 ALA N N 25 121.574 121.574 120.726 0.848 18852 2268 1 16 . 1 1 25 25 ALA HA H 25 4.329 4.329 4.532 -0.203 18852 2269 1 16 . 1 1 25 25 ALA C C 25 176.649 176.649 175.728 0.921 18852 2270 1 16 . 1 1 25 25 ALA CA C 25 52.566 52.566 51.160 1.406 18852 2271 1 16 . 1 1 25 25 ALA CB C 25 18.630 18.630 20.086 -1.456 18852 2272 1 16 . 1 1 25 25 ALA H H 25 7.679 7.679 7.876 -0.197 18852 2273 1 17 . 1 1 2 2 ALA HA H 2 4.239 4.239 4.106 0.133 18852 2274 1 17 . 1 1 2 2 ALA C C 2 179.180 179.180 179.672 -0.492 18852 2275 1 17 . 1 1 2 2 ALA CA C 2 54.532 54.532 54.571 -0.039 18852 2276 1 17 . 1 1 2 2 ALA CB C 2 18.397 18.397 19.106 -0.709 18852 2277 1 17 . 1 1 3 3 MET N N 3 117.814 117.814 118.134 -0.320 18852 2278 1 17 . 1 1 3 3 MET HA H 3 4.354 4.354 4.338 0.016 18852 2279 1 17 . 1 1 3 3 MET C C 3 177.926 177.926 178.190 -0.264 18852 2280 1 17 . 1 1 3 3 MET CA C 3 57.876 57.876 57.567 0.309 18852 2281 1 17 . 1 1 3 3 MET CB C 3 31.673 31.673 31.850 -0.177 18852 2282 1 17 . 1 1 3 3 MET H H 3 8.613 8.613 8.240 0.373 18852 2283 1 17 . 1 1 4 4 ALA N N 4 122.603 122.603 121.061 1.542 18852 2284 1 17 . 1 1 4 4 ALA HA H 4 4.228 4.228 4.123 0.105 18852 2285 1 17 . 1 1 4 4 ALA C C 4 179.940 179.940 179.986 -0.046 18852 2286 1 17 . 1 1 4 4 ALA CA C 4 54.689 54.689 54.971 -0.282 18852 2287 1 17 . 1 1 4 4 ALA CB C 4 18.025 18.025 18.286 -0.261 18852 2288 1 17 . 1 1 4 4 ALA H H 4 8.324 8.324 8.361 -0.037 18852 2289 1 17 . 1 1 5 5 THR N N 5 112.671 112.671 114.652 -1.981 18852 2290 1 17 . 1 1 5 5 THR HA H 5 4.121 4.121 4.106 0.015 18852 2291 1 17 . 1 1 5 5 THR C C 5 176.085 176.085 176.228 -0.143 18852 2292 1 17 . 1 1 5 5 THR CA C 5 65.053 65.053 66.358 -1.305 18852 2293 1 17 . 1 1 5 5 THR CB C 5 68.989 68.989 68.721 0.268 18852 2294 1 17 . 1 1 5 5 THR H H 5 7.966 7.966 7.935 0.031 18852 2295 1 17 . 1 1 6 6 ARG N N 6 122.300 122.300 122.501 -0.201 18852 2296 1 17 . 1 1 6 6 ARG HA H 6 4.057 4.057 3.900 0.157 18852 2297 1 17 . 1 1 6 6 ARG C C 6 178.983 178.983 178.194 0.789 18852 2298 1 17 . 1 1 6 6 ARG CA C 6 59.963 59.963 59.843 0.120 18852 2299 1 17 . 1 1 6 6 ARG CB C 6 29.853 29.853 30.181 -0.328 18852 2300 1 17 . 1 1 6 6 ARG H H 6 8.244 8.244 7.646 0.598 18852 2301 1 17 . 1 1 7 7 GLN N N 7 118.940 118.940 117.735 1.205 18852 2302 1 17 . 1 1 7 7 GLN HA H 7 4.058 4.058 4.064 -0.006 18852 2303 1 17 . 1 1 7 7 GLN C C 7 177.997 177.997 177.951 0.046 18852 2304 1 17 . 1 1 7 7 GLN CA C 7 58.735 58.735 58.562 0.173 18852 2305 1 17 . 1 1 7 7 GLN CB C 7 28.188 28.188 28.333 -0.145 18852 2306 1 17 . 1 1 7 7 GLN H H 7 8.424 8.424 7.711 0.713 18852 2307 1 17 . 1 1 8 8 ALA N N 8 122.920 122.920 122.742 0.178 18852 2308 1 17 . 1 1 8 8 ALA HA H 8 4.217 4.217 4.026 0.191 18852 2309 1 17 . 1 1 8 8 ALA C C 8 180.837 180.837 179.744 1.093 18852 2310 1 17 . 1 1 8 8 ALA CA C 8 55.319 55.319 54.916 0.404 18852 2311 1 17 . 1 1 8 8 ALA CB C 8 17.695 17.695 18.114 -0.419 18852 2312 1 17 . 1 1 8 8 ALA H H 8 8.306 8.306 7.457 0.849 18852 2313 1 17 . 1 1 9 9 ARG N N 9 118.721 118.721 119.015 -0.294 18852 2314 1 17 . 1 1 9 9 ARG HA H 9 4.050 4.050 3.957 0.093 18852 2315 1 17 . 1 1 9 9 ARG C C 9 178.843 178.843 178.590 0.253 18852 2316 1 17 . 1 1 9 9 ARG CA C 9 59.721 59.721 59.032 0.689 18852 2317 1 17 . 1 1 9 9 ARG CB C 9 30.168 30.168 29.558 0.610 18852 2318 1 17 . 1 1 9 9 ARG H H 9 8.263 8.263 7.872 0.391 18852 2319 1 17 . 1 1 10 10 ARG N N 10 120.338 120.338 118.907 1.431 18852 2320 1 17 . 1 1 10 10 ARG HA H 10 4.074 4.074 4.018 0.056 18852 2321 1 17 . 1 1 10 10 ARG C C 10 179.024 179.024 178.707 0.317 18852 2322 1 17 . 1 1 10 10 ARG CA C 10 59.542 59.542 59.370 0.173 18852 2323 1 17 . 1 1 10 10 ARG CB C 10 29.904 29.904 29.916 -0.012 18852 2324 1 17 . 1 1 10 10 ARG H H 10 8.251 8.251 7.682 0.569 18852 2325 1 17 . 1 1 11 11 ASN N N 11 118.863 118.863 117.888 0.975 18852 2326 1 17 . 1 1 11 11 ASN HA H 11 4.543 4.543 4.468 0.075 18852 2327 1 17 . 1 1 11 11 ASN C C 11 177.279 177.279 177.823 -0.544 18852 2328 1 17 . 1 1 11 11 ASN CA C 11 55.979 55.979 56.079 -0.100 18852 2329 1 17 . 1 1 11 11 ASN CB C 11 37.983 37.983 37.911 0.072 18852 2330 1 17 . 1 1 11 11 ASN H H 11 8.551 8.551 7.971 0.580 18852 2331 1 17 . 1 1 12 12 ARG N N 12 120.917 120.917 121.326 -0.409 18852 2332 1 17 . 1 1 12 12 ARG HA H 12 4.079 4.079 3.996 0.083 18852 2333 1 17 . 1 1 12 12 ARG C C 12 178.488 178.488 178.636 -0.148 18852 2334 1 17 . 1 1 12 12 ARG CA C 12 59.787 59.787 59.246 0.541 18852 2335 1 17 . 1 1 12 12 ARG CB C 12 29.937 29.937 30.090 -0.153 18852 2336 1 17 . 1 1 12 12 ARG H H 12 8.253 8.253 8.503 -0.250 18852 2337 1 17 . 1 1 13 13 ARG N N 13 119.263 119.263 117.610 1.653 18852 2338 1 17 . 1 1 13 13 ARG HA H 13 4.189 4.189 4.245 -0.056 18852 2339 1 17 . 1 1 13 13 ARG C C 13 178.479 178.479 178.716 -0.237 18852 2340 1 17 . 1 1 13 13 ARG CA C 13 59.572 59.572 58.709 0.862 18852 2341 1 17 . 1 1 13 13 ARG CB C 13 30.067 30.067 29.765 0.302 18852 2342 1 17 . 1 1 13 13 ARG H H 13 8.167 8.167 7.651 0.516 18852 2343 1 17 . 1 1 14 14 ARG N N 14 119.756 119.756 121.045 -1.289 18852 2344 1 17 . 1 1 14 14 ARG HA H 14 4.141 4.141 4.068 0.073 18852 2345 1 17 . 1 1 14 14 ARG C C 14 178.817 178.817 178.785 0.032 18852 2346 1 17 . 1 1 14 14 ARG CA C 14 59.695 59.695 59.461 0.234 18852 2347 1 17 . 1 1 14 14 ARG CB C 14 29.812 29.812 30.141 -0.329 18852 2348 1 17 . 1 1 14 14 ARG H H 14 8.285 8.285 8.481 -0.196 18852 2349 1 17 . 1 1 15 15 ARG N N 15 119.026 119.026 117.987 1.039 18852 2350 1 17 . 1 1 15 15 ARG HA H 15 4.158 4.158 4.136 0.022 18852 2351 1 17 . 1 1 15 15 ARG C C 15 178.909 178.909 178.619 0.290 18852 2352 1 17 . 1 1 15 15 ARG CA C 15 59.233 59.233 58.686 0.547 18852 2353 1 17 . 1 1 15 15 ARG CB C 15 29.772 29.772 29.464 0.308 18852 2354 1 17 . 1 1 15 15 ARG H H 15 8.278 8.278 8.590 -0.312 18852 2355 1 17 . 1 1 16 16 TRP N N 16 121.055 121.055 121.556 -0.501 18852 2356 1 17 . 1 1 16 16 TRP HA H 16 4.389 4.389 4.394 -0.005 18852 2357 1 17 . 1 1 16 16 TRP C C 16 178.621 178.621 177.897 0.724 18852 2358 1 17 . 1 1 16 16 TRP CA C 16 61.013 61.013 60.816 0.196 18852 2359 1 17 . 1 1 16 16 TRP CB C 16 28.796 28.796 28.857 -0.061 18852 2360 1 17 . 1 1 16 16 TRP H H 16 8.464 8.464 7.673 0.791 18852 2361 1 17 . 1 1 17 17 ARG N N 17 119.474 119.474 119.001 0.473 18852 2362 1 17 . 1 1 17 17 ARG HA H 17 3.910 3.910 3.726 0.184 18852 2363 1 17 . 1 1 17 17 ARG C C 17 179.120 179.120 178.574 0.546 18852 2364 1 17 . 1 1 17 17 ARG CA C 17 59.627 59.627 59.244 0.383 18852 2365 1 17 . 1 1 17 17 ARG CB C 17 29.907 29.907 29.552 0.354 18852 2366 1 17 . 1 1 17 17 ARG H H 17 8.537 8.537 7.795 0.742 18852 2367 1 17 . 1 1 18 18 GLU N N 18 119.223 119.223 118.119 1.104 18852 2368 1 17 . 1 1 18 18 GLU HA H 18 4.061 4.061 4.009 0.052 18852 2369 1 17 . 1 1 18 18 GLU C C 18 179.163 179.163 179.055 0.108 18852 2370 1 17 . 1 1 18 18 GLU CA C 18 59.138 59.138 59.009 0.129 18852 2371 1 17 . 1 1 18 18 GLU CB C 18 29.135 29.135 29.424 -0.289 18852 2372 1 17 . 1 1 18 18 GLU H H 18 8.346 8.346 7.713 0.633 18852 2373 1 17 . 1 1 19 19 ARG N N 19 119.942 119.942 119.794 0.148 18852 2374 1 17 . 1 1 19 19 ARG HA H 19 4.046 4.046 4.106 -0.060 18852 2375 1 17 . 1 1 19 19 ARG C C 19 178.634 178.634 179.213 -0.579 18852 2376 1 17 . 1 1 19 19 ARG CA C 19 59.016 59.016 58.425 0.591 18852 2377 1 17 . 1 1 19 19 ARG CB C 19 29.371 29.371 30.124 -0.753 18852 2378 1 17 . 1 1 19 19 ARG H H 19 8.104 8.104 8.203 -0.099 18852 2379 1 17 . 1 1 20 20 GLN N N 20 118.373 118.373 119.409 -1.036 18852 2380 1 17 . 1 1 20 20 GLN HA H 20 3.892 3.892 4.106 -0.214 18852 2381 1 17 . 1 1 20 20 GLN C C 20 178.465 178.465 177.936 0.529 18852 2382 1 17 . 1 1 20 20 GLN CA C 20 58.170 58.170 58.215 -0.046 18852 2383 1 17 . 1 1 20 20 GLN CB C 20 28.113 28.113 28.038 0.075 18852 2384 1 17 . 1 1 20 20 GLN H H 20 8.044 8.044 8.361 -0.317 18852 2385 1 17 . 1 1 21 21 ARG N N 21 119.374 119.374 119.853 -0.479 18852 2386 1 17 . 1 1 21 21 ARG HA H 21 4.034 4.034 3.975 0.059 18852 2387 1 17 . 1 1 21 21 ARG C C 21 178.423 178.423 178.212 0.211 18852 2388 1 17 . 1 1 21 21 ARG CA C 21 58.765 58.765 58.892 -0.127 18852 2389 1 17 . 1 1 21 21 ARG CB C 21 29.676 29.676 29.856 -0.180 18852 2390 1 17 . 1 1 21 21 ARG H H 21 8.079 8.079 7.899 0.180 18852 2391 1 17 . 1 1 22 22 ALA N N 22 121.393 121.393 120.305 1.088 18852 2392 1 17 . 1 1 22 22 ALA HA H 22 4.146 4.146 4.105 0.041 18852 2393 1 17 . 1 1 22 22 ALA C C 22 179.577 179.577 178.396 1.181 18852 2394 1 17 . 1 1 22 22 ALA CA C 22 54.267 54.267 54.941 -0.674 18852 2395 1 17 . 1 1 22 22 ALA CB C 22 17.831 17.831 18.440 -0.609 18852 2396 1 17 . 1 1 22 22 ALA H H 22 8.026 8.026 7.501 0.525 18852 2397 1 17 . 1 1 23 23 ALA N N 23 119.867 119.867 120.348 -0.481 18852 2398 1 17 . 1 1 23 23 ALA HA H 23 4.158 4.158 4.241 -0.083 18852 2399 1 17 . 1 1 23 23 ALA C C 23 178.616 178.616 179.363 -0.747 18852 2400 1 17 . 1 1 23 23 ALA CA C 23 53.714 53.714 54.150 -0.436 18852 2401 1 17 . 1 1 23 23 ALA CB C 23 18.045 18.045 18.725 -0.680 18852 2402 1 17 . 1 1 23 23 ALA H H 23 7.938 7.938 7.559 0.379 18852 2403 1 17 . 1 1 24 24 ALA N N 24 119.652 119.652 120.216 -0.564 18852 2404 1 17 . 1 1 24 24 ALA HA H 24 4.291 4.291 4.105 0.186 18852 2405 1 17 . 1 1 24 24 ALA C C 24 177.528 177.528 177.694 -0.166 18852 2406 1 17 . 1 1 24 24 ALA CA C 24 52.706 52.706 54.081 -1.375 18852 2407 1 17 . 1 1 24 24 ALA CB C 24 18.591 18.591 19.029 -0.438 18852 2408 1 17 . 1 1 24 24 ALA H H 24 7.693 7.693 8.379 -0.686 18852 2409 1 17 . 1 1 25 25 ALA N N 25 121.574 121.574 120.850 0.724 18852 2410 1 17 . 1 1 25 25 ALA HA H 25 4.329 4.329 4.572 -0.243 18852 2411 1 17 . 1 1 25 25 ALA C C 25 176.649 176.649 175.607 1.042 18852 2412 1 17 . 1 1 25 25 ALA CA C 25 52.566 52.566 50.944 1.622 18852 2413 1 17 . 1 1 25 25 ALA CB C 25 18.630 18.630 20.215 -1.585 18852 2414 1 17 . 1 1 25 25 ALA H H 25 7.679 7.679 7.792 -0.113 18852 2415 1 18 . 1 1 2 2 ALA HA H 2 4.239 4.239 4.288 -0.049 18852 2416 1 18 . 1 1 2 2 ALA C C 2 179.180 179.180 179.823 -0.643 18852 2417 1 18 . 1 1 2 2 ALA CA C 2 54.532 54.532 54.612 -0.080 18852 2418 1 18 . 1 1 2 2 ALA CB C 2 18.397 18.397 18.982 -0.585 18852 2419 1 18 . 1 1 3 3 MET N N 3 117.814 117.814 117.435 0.379 18852 2420 1 18 . 1 1 3 3 MET HA H 3 4.354 4.354 4.172 0.182 18852 2421 1 18 . 1 1 3 3 MET C C 3 177.926 177.926 178.519 -0.593 18852 2422 1 18 . 1 1 3 3 MET CA C 3 57.876 57.876 57.125 0.751 18852 2423 1 18 . 1 1 3 3 MET CB C 3 31.673 31.673 31.322 0.351 18852 2424 1 18 . 1 1 3 3 MET H H 3 8.613 8.613 8.389 0.224 18852 2425 1 18 . 1 1 4 4 ALA N N 4 122.603 122.603 121.901 0.702 18852 2426 1 18 . 1 1 4 4 ALA HA H 4 4.228 4.228 4.290 -0.062 18852 2427 1 18 . 1 1 4 4 ALA C C 4 179.940 179.940 179.276 0.664 18852 2428 1 18 . 1 1 4 4 ALA CA C 4 54.689 54.689 55.396 -0.707 18852 2429 1 18 . 1 1 4 4 ALA CB C 4 18.025 18.025 18.425 -0.400 18852 2430 1 18 . 1 1 4 4 ALA H H 4 8.324 8.324 8.124 0.200 18852 2431 1 18 . 1 1 5 5 THR N N 5 112.671 112.671 113.224 -0.553 18852 2432 1 18 . 1 1 5 5 THR HA H 5 4.121 4.121 3.874 0.247 18852 2433 1 18 . 1 1 5 5 THR C C 5 176.085 176.085 176.741 -0.656 18852 2434 1 18 . 1 1 5 5 THR CA C 5 65.053 65.053 65.926 -0.873 18852 2435 1 18 . 1 1 5 5 THR CB C 5 68.989 68.989 68.395 0.594 18852 2436 1 18 . 1 1 5 5 THR H H 5 7.966 7.966 8.228 -0.262 18852 2437 1 18 . 1 1 6 6 ARG N N 6 122.300 122.300 121.338 0.962 18852 2438 1 18 . 1 1 6 6 ARG HA H 6 4.057 4.057 3.900 0.157 18852 2439 1 18 . 1 1 6 6 ARG C C 6 178.983 178.983 178.884 0.099 18852 2440 1 18 . 1 1 6 6 ARG CA C 6 59.963 59.963 59.365 0.598 18852 2441 1 18 . 1 1 6 6 ARG CB C 6 29.853 29.853 30.160 -0.307 18852 2442 1 18 . 1 1 6 6 ARG H H 6 8.244 8.244 8.033 0.211 18852 2443 1 18 . 1 1 7 7 GLN N N 7 118.940 118.940 118.810 0.130 18852 2444 1 18 . 1 1 7 7 GLN HA H 7 4.058 4.058 4.094 -0.036 18852 2445 1 18 . 1 1 7 7 GLN C C 7 177.997 177.997 177.634 0.363 18852 2446 1 18 . 1 1 7 7 GLN CA C 7 58.735 58.735 58.396 0.339 18852 2447 1 18 . 1 1 7 7 GLN CB C 7 28.188 28.188 28.398 -0.209 18852 2448 1 18 . 1 1 7 7 GLN H H 7 8.424 8.424 7.667 0.757 18852 2449 1 18 . 1 1 8 8 ALA N N 8 122.920 122.920 121.584 1.336 18852 2450 1 18 . 1 1 8 8 ALA HA H 8 4.217 4.217 4.114 0.103 18852 2451 1 18 . 1 1 8 8 ALA C C 8 180.837 180.837 179.247 1.590 18852 2452 1 18 . 1 1 8 8 ALA CA C 8 55.319 55.319 54.358 0.961 18852 2453 1 18 . 1 1 8 8 ALA CB C 8 17.695 17.695 18.333 -0.638 18852 2454 1 18 . 1 1 8 8 ALA H H 8 8.306 8.306 7.901 0.405 18852 2455 1 18 . 1 1 9 9 ARG N N 9 118.721 118.721 118.377 0.344 18852 2456 1 18 . 1 1 9 9 ARG HA H 9 4.050 4.050 4.003 0.047 18852 2457 1 18 . 1 1 9 9 ARG C C 9 178.843 178.843 178.073 0.770 18852 2458 1 18 . 1 1 9 9 ARG CA C 9 59.721 59.721 59.060 0.661 18852 2459 1 18 . 1 1 9 9 ARG CB C 9 30.168 30.168 30.110 0.057 18852 2460 1 18 . 1 1 9 9 ARG H H 9 8.263 8.263 7.944 0.319 18852 2461 1 18 . 1 1 10 10 ARG N N 10 120.338 120.338 116.485 3.853 18852 2462 1 18 . 1 1 10 10 ARG HA H 10 4.074 4.074 4.294 -0.220 18852 2463 1 18 . 1 1 10 10 ARG C C 10 179.024 179.024 178.594 0.430 18852 2464 1 18 . 1 1 10 10 ARG CA C 10 59.542 59.542 58.303 1.239 18852 2465 1 18 . 1 1 10 10 ARG CB C 10 29.904 29.904 29.723 0.181 18852 2466 1 18 . 1 1 10 10 ARG H H 10 8.251 8.251 7.605 0.646 18852 2467 1 18 . 1 1 11 11 ASN N N 11 118.863 118.863 120.442 -1.579 18852 2468 1 18 . 1 1 11 11 ASN HA H 11 4.543 4.543 4.498 0.045 18852 2469 1 18 . 1 1 11 11 ASN C C 11 177.279 177.279 176.874 0.405 18852 2470 1 18 . 1 1 11 11 ASN CA C 11 55.979 55.979 55.638 0.341 18852 2471 1 18 . 1 1 11 11 ASN CB C 11 37.983 37.983 37.646 0.337 18852 2472 1 18 . 1 1 11 11 ASN H H 11 8.551 8.551 7.851 0.700 18852 2473 1 18 . 1 1 12 12 ARG N N 12 120.917 120.917 120.472 0.445 18852 2474 1 18 . 1 1 12 12 ARG HA H 12 4.079 4.079 3.978 0.101 18852 2475 1 18 . 1 1 12 12 ARG C C 12 178.488 178.488 178.462 0.026 18852 2476 1 18 . 1 1 12 12 ARG CA C 12 59.787 59.787 59.299 0.488 18852 2477 1 18 . 1 1 12 12 ARG CB C 12 29.937 29.937 29.603 0.334 18852 2478 1 18 . 1 1 12 12 ARG H H 12 8.253 8.253 8.123 0.130 18852 2479 1 18 . 1 1 13 13 ARG N N 13 119.263 119.263 118.299 0.964 18852 2480 1 18 . 1 1 13 13 ARG HA H 13 4.189 4.189 4.204 -0.015 18852 2481 1 18 . 1 1 13 13 ARG C C 13 178.479 178.479 178.599 -0.120 18852 2482 1 18 . 1 1 13 13 ARG CA C 13 59.572 59.572 58.171 1.401 18852 2483 1 18 . 1 1 13 13 ARG CB C 13 30.067 30.067 29.693 0.374 18852 2484 1 18 . 1 1 13 13 ARG H H 13 8.167 8.167 7.835 0.332 18852 2485 1 18 . 1 1 14 14 ARG N N 14 119.756 119.756 119.523 0.233 18852 2486 1 18 . 1 1 14 14 ARG HA H 14 4.141 4.141 4.253 -0.112 18852 2487 1 18 . 1 1 14 14 ARG C C 14 178.817 178.817 179.223 -0.406 18852 2488 1 18 . 1 1 14 14 ARG CA C 14 59.695 59.695 57.936 1.759 18852 2489 1 18 . 1 1 14 14 ARG CB C 14 29.812 29.812 29.831 -0.019 18852 2490 1 18 . 1 1 14 14 ARG H H 14 8.285 8.285 7.821 0.464 18852 2491 1 18 . 1 1 15 15 ARG N N 15 119.026 119.026 121.227 -2.201 18852 2492 1 18 . 1 1 15 15 ARG HA H 15 4.158 4.158 4.313 -0.155 18852 2493 1 18 . 1 1 15 15 ARG C C 15 178.909 178.909 178.453 0.456 18852 2494 1 18 . 1 1 15 15 ARG CA C 15 59.233 59.233 59.566 -0.333 18852 2495 1 18 . 1 1 15 15 ARG CB C 15 29.772 29.772 29.925 -0.153 18852 2496 1 18 . 1 1 15 15 ARG H H 15 8.278 8.278 8.643 -0.365 18852 2497 1 18 . 1 1 16 16 TRP N N 16 121.055 121.055 120.217 0.838 18852 2498 1 18 . 1 1 16 16 TRP HA H 16 4.389 4.389 4.317 0.072 18852 2499 1 18 . 1 1 16 16 TRP C C 16 178.621 178.621 177.886 0.735 18852 2500 1 18 . 1 1 16 16 TRP CA C 16 61.013 61.013 59.439 1.574 18852 2501 1 18 . 1 1 16 16 TRP CB C 16 28.796 28.796 29.724 -0.928 18852 2502 1 18 . 1 1 16 16 TRP H H 16 8.464 8.464 7.872 0.592 18852 2503 1 18 . 1 1 17 17 ARG N N 17 119.474 119.474 119.096 0.378 18852 2504 1 18 . 1 1 17 17 ARG HA H 17 3.910 3.910 4.031 -0.121 18852 2505 1 18 . 1 1 17 17 ARG C C 17 179.120 179.120 178.604 0.516 18852 2506 1 18 . 1 1 17 17 ARG CA C 17 59.627 59.627 58.803 0.824 18852 2507 1 18 . 1 1 17 17 ARG CB C 17 29.907 29.907 29.844 0.063 18852 2508 1 18 . 1 1 17 17 ARG H H 17 8.537 8.537 7.812 0.725 18852 2509 1 18 . 1 1 18 18 GLU N N 18 119.223 119.223 118.669 0.554 18852 2510 1 18 . 1 1 18 18 GLU HA H 18 4.061 4.061 4.069 -0.008 18852 2511 1 18 . 1 1 18 18 GLU C C 18 179.163 179.163 179.044 0.119 18852 2512 1 18 . 1 1 18 18 GLU CA C 18 59.138 59.138 58.868 0.270 18852 2513 1 18 . 1 1 18 18 GLU CB C 18 29.135 29.135 28.953 0.182 18852 2514 1 18 . 1 1 18 18 GLU H H 18 8.346 8.346 7.879 0.467 18852 2515 1 18 . 1 1 19 19 ARG N N 19 119.942 119.942 119.458 0.484 18852 2516 1 18 . 1 1 19 19 ARG HA H 19 4.046 4.046 4.087 -0.041 18852 2517 1 18 . 1 1 19 19 ARG C C 19 178.634 178.634 178.247 0.387 18852 2518 1 18 . 1 1 19 19 ARG CA C 19 59.016 59.016 58.391 0.625 18852 2519 1 18 . 1 1 19 19 ARG CB C 19 29.371 29.371 30.168 -0.797 18852 2520 1 18 . 1 1 19 19 ARG H H 19 8.104 8.104 8.477 -0.373 18852 2521 1 18 . 1 1 20 20 GLN N N 20 118.373 118.373 119.006 -0.633 18852 2522 1 18 . 1 1 20 20 GLN HA H 20 3.892 3.892 3.872 0.020 18852 2523 1 18 . 1 1 20 20 GLN C C 20 178.465 178.465 177.300 1.165 18852 2524 1 18 . 1 1 20 20 GLN CA C 20 58.170 58.170 58.595 -0.425 18852 2525 1 18 . 1 1 20 20 GLN CB C 20 28.113 28.113 28.243 -0.130 18852 2526 1 18 . 1 1 20 20 GLN H H 20 8.044 8.044 7.649 0.395 18852 2527 1 18 . 1 1 21 21 ARG N N 21 119.374 119.374 119.612 -0.238 18852 2528 1 18 . 1 1 21 21 ARG HA H 21 4.034 4.034 3.958 0.076 18852 2529 1 18 . 1 1 21 21 ARG C C 21 178.423 178.423 178.284 0.139 18852 2530 1 18 . 1 1 21 21 ARG CA C 21 58.765 58.765 58.989 -0.224 18852 2531 1 18 . 1 1 21 21 ARG CB C 21 29.676 29.676 29.932 -0.256 18852 2532 1 18 . 1 1 21 21 ARG H H 21 8.079 8.079 7.470 0.609 18852 2533 1 18 . 1 1 22 22 ALA N N 22 121.393 121.393 120.416 0.977 18852 2534 1 18 . 1 1 22 22 ALA HA H 22 4.146 4.146 4.067 0.079 18852 2535 1 18 . 1 1 22 22 ALA C C 22 179.577 179.577 178.233 1.344 18852 2536 1 18 . 1 1 22 22 ALA CA C 22 54.267 54.267 54.898 -0.631 18852 2537 1 18 . 1 1 22 22 ALA CB C 22 17.831 17.831 18.396 -0.566 18852 2538 1 18 . 1 1 22 22 ALA H H 22 8.026 8.026 7.494 0.532 18852 2539 1 18 . 1 1 23 23 ALA N N 23 119.867 119.867 120.490 -0.623 18852 2540 1 18 . 1 1 23 23 ALA HA H 23 4.158 4.158 4.310 -0.152 18852 2541 1 18 . 1 1 23 23 ALA C C 23 178.616 178.616 179.017 -0.401 18852 2542 1 18 . 1 1 23 23 ALA CA C 23 53.714 53.714 53.725 -0.011 18852 2543 1 18 . 1 1 23 23 ALA CB C 23 18.045 18.045 18.526 -0.481 18852 2544 1 18 . 1 1 23 23 ALA H H 23 7.938 7.938 7.430 0.508 18852 2545 1 18 . 1 1 24 24 ALA N N 24 119.652 119.652 120.683 -1.031 18852 2546 1 18 . 1 1 24 24 ALA HA H 24 4.291 4.291 4.109 0.182 18852 2547 1 18 . 1 1 24 24 ALA C C 24 177.528 177.528 177.692 -0.164 18852 2548 1 18 . 1 1 24 24 ALA CA C 24 52.706 52.706 53.845 -1.139 18852 2549 1 18 . 1 1 24 24 ALA CB C 24 18.591 18.591 19.239 -0.648 18852 2550 1 18 . 1 1 24 24 ALA H H 24 7.693 7.693 8.135 -0.442 18852 2551 1 18 . 1 1 25 25 ALA N N 25 121.574 121.574 120.533 1.041 18852 2552 1 18 . 1 1 25 25 ALA HA H 25 4.329 4.329 4.547 -0.218 18852 2553 1 18 . 1 1 25 25 ALA C C 25 176.649 176.649 175.858 0.791 18852 2554 1 18 . 1 1 25 25 ALA CA C 25 52.566 52.566 50.807 1.759 18852 2555 1 18 . 1 1 25 25 ALA CB C 25 18.630 18.630 20.270 -1.641 18852 2556 1 18 . 1 1 25 25 ALA H H 25 7.679 7.679 7.695 -0.016 18852 2557 1 19 . 1 1 2 2 ALA HA H 2 4.239 4.239 4.267 -0.028 18852 2558 1 19 . 1 1 2 2 ALA C C 2 179.180 179.180 179.245 -0.065 18852 2559 1 19 . 1 1 2 2 ALA CA C 2 54.532 54.532 53.732 0.800 18852 2560 1 19 . 1 1 2 2 ALA CB C 2 18.397 18.397 19.575 -1.178 18852 2561 1 19 . 1 1 3 3 MET N N 3 117.814 117.814 116.715 1.099 18852 2562 1 19 . 1 1 3 3 MET HA H 3 4.354 4.354 4.389 -0.035 18852 2563 1 19 . 1 1 3 3 MET C C 3 177.926 177.926 177.923 0.003 18852 2564 1 19 . 1 1 3 3 MET CA C 3 57.876 57.876 57.711 0.165 18852 2565 1 19 . 1 1 3 3 MET CB C 3 31.673 31.673 32.273 -0.600 18852 2566 1 19 . 1 1 3 3 MET H H 3 8.613 8.613 8.031 0.582 18852 2567 1 19 . 1 1 4 4 ALA N N 4 122.603 122.603 123.007 -0.404 18852 2568 1 19 . 1 1 4 4 ALA HA H 4 4.228 4.228 4.163 0.065 18852 2569 1 19 . 1 1 4 4 ALA C C 4 179.940 179.940 178.940 1.000 18852 2570 1 19 . 1 1 4 4 ALA CA C 4 54.689 54.689 55.130 -0.441 18852 2571 1 19 . 1 1 4 4 ALA CB C 4 18.025 18.025 17.759 0.266 18852 2572 1 19 . 1 1 4 4 ALA H H 4 8.324 8.324 8.409 -0.085 18852 2573 1 19 . 1 1 5 5 THR N N 5 112.671 112.671 114.455 -1.784 18852 2574 1 19 . 1 1 5 5 THR HA H 5 4.121 4.121 3.919 0.202 18852 2575 1 19 . 1 1 5 5 THR C C 5 176.085 176.085 176.472 -0.387 18852 2576 1 19 . 1 1 5 5 THR CA C 5 65.053 65.053 66.846 -1.793 18852 2577 1 19 . 1 1 5 5 THR CB C 5 68.989 68.989 68.397 0.592 18852 2578 1 19 . 1 1 5 5 THR H H 5 7.966 7.966 7.518 0.448 18852 2579 1 19 . 1 1 6 6 ARG N N 6 122.300 122.300 120.833 1.467 18852 2580 1 19 . 1 1 6 6 ARG HA H 6 4.057 4.057 4.047 0.010 18852 2581 1 19 . 1 1 6 6 ARG C C 6 178.983 178.983 178.822 0.161 18852 2582 1 19 . 1 1 6 6 ARG CA C 6 59.963 59.963 59.099 0.864 18852 2583 1 19 . 1 1 6 6 ARG CB C 6 29.853 29.853 29.720 0.133 18852 2584 1 19 . 1 1 6 6 ARG H H 6 8.244 8.244 7.776 0.468 18852 2585 1 19 . 1 1 7 7 GLN N N 7 118.940 118.940 119.206 -0.266 18852 2586 1 19 . 1 1 7 7 GLN HA H 7 4.058 4.058 4.162 -0.104 18852 2587 1 19 . 1 1 7 7 GLN C C 7 177.997 177.997 177.796 0.201 18852 2588 1 19 . 1 1 7 7 GLN CA C 7 58.735 58.735 58.279 0.457 18852 2589 1 19 . 1 1 7 7 GLN CB C 7 28.188 28.188 28.415 -0.227 18852 2590 1 19 . 1 1 7 7 GLN H H 7 8.424 8.424 8.028 0.396 18852 2591 1 19 . 1 1 8 8 ALA N N 8 122.920 122.920 121.122 1.798 18852 2592 1 19 . 1 1 8 8 ALA HA H 8 4.217 4.217 4.215 0.002 18852 2593 1 19 . 1 1 8 8 ALA C C 8 180.837 180.837 179.691 1.146 18852 2594 1 19 . 1 1 8 8 ALA CA C 8 55.319 55.319 54.859 0.460 18852 2595 1 19 . 1 1 8 8 ALA CB C 8 17.695 17.695 18.395 -0.700 18852 2596 1 19 . 1 1 8 8 ALA H H 8 8.306 8.306 8.185 0.121 18852 2597 1 19 . 1 1 9 9 ARG N N 9 118.721 118.721 116.096 2.625 18852 2598 1 19 . 1 1 9 9 ARG HA H 9 4.050 4.050 4.239 -0.189 18852 2599 1 19 . 1 1 9 9 ARG C C 9 178.843 178.843 178.424 0.419 18852 2600 1 19 . 1 1 9 9 ARG CA C 9 59.721 59.721 57.491 2.230 18852 2601 1 19 . 1 1 9 9 ARG CB C 9 30.168 30.168 29.974 0.194 18852 2602 1 19 . 1 1 9 9 ARG H H 9 8.263 8.263 7.606 0.657 18852 2603 1 19 . 1 1 10 10 ARG N N 10 120.338 120.338 121.401 -1.063 18852 2604 1 19 . 1 1 10 10 ARG HA H 10 4.074 4.074 4.062 0.012 18852 2605 1 19 . 1 1 10 10 ARG C C 10 179.024 179.024 178.028 0.996 18852 2606 1 19 . 1 1 10 10 ARG CA C 10 59.542 59.542 60.096 -0.554 18852 2607 1 19 . 1 1 10 10 ARG CB C 10 29.904 29.904 30.036 -0.132 18852 2608 1 19 . 1 1 10 10 ARG H H 10 8.251 8.251 8.195 0.056 18852 2609 1 19 . 1 1 11 11 ASN N N 11 118.863 118.863 116.829 2.034 18852 2610 1 19 . 1 1 11 11 ASN HA H 11 4.543 4.543 4.394 0.149 18852 2611 1 19 . 1 1 11 11 ASN C C 11 177.279 177.279 177.801 -0.522 18852 2612 1 19 . 1 1 11 11 ASN CA C 11 55.979 55.979 56.117 -0.138 18852 2613 1 19 . 1 1 11 11 ASN CB C 11 37.983 37.983 37.691 0.292 18852 2614 1 19 . 1 1 11 11 ASN H H 11 8.551 8.551 8.168 0.383 18852 2615 1 19 . 1 1 12 12 ARG N N 12 120.917 120.917 120.826 0.091 18852 2616 1 19 . 1 1 12 12 ARG HA H 12 4.079 4.079 4.138 -0.059 18852 2617 1 19 . 1 1 12 12 ARG C C 12 178.488 178.488 178.280 0.208 18852 2618 1 19 . 1 1 12 12 ARG CA C 12 59.787 59.787 58.665 1.122 18852 2619 1 19 . 1 1 12 12 ARG CB C 12 29.937 29.937 30.350 -0.413 18852 2620 1 19 . 1 1 12 12 ARG H H 12 8.253 8.253 7.671 0.582 18852 2621 1 19 . 1 1 13 13 ARG N N 13 119.263 119.263 119.654 -0.391 18852 2622 1 19 . 1 1 13 13 ARG HA H 13 4.189 4.189 4.179 0.010 18852 2623 1 19 . 1 1 13 13 ARG C C 13 178.479 178.479 178.887 -0.408 18852 2624 1 19 . 1 1 13 13 ARG CA C 13 59.572 59.572 59.888 -0.316 18852 2625 1 19 . 1 1 13 13 ARG CB C 13 30.067 30.067 30.316 -0.249 18852 2626 1 19 . 1 1 13 13 ARG H H 13 8.167 8.167 8.138 0.029 18852 2627 1 19 . 1 1 14 14 ARG N N 14 119.756 119.756 118.735 1.021 18852 2628 1 19 . 1 1 14 14 ARG HA H 14 4.141 4.141 4.019 0.122 18852 2629 1 19 . 1 1 14 14 ARG C C 14 178.817 178.817 178.606 0.211 18852 2630 1 19 . 1 1 14 14 ARG CA C 14 59.695 59.695 59.252 0.443 18852 2631 1 19 . 1 1 14 14 ARG CB C 14 29.812 29.812 29.438 0.374 18852 2632 1 19 . 1 1 14 14 ARG H H 14 8.285 8.285 8.718 -0.433 18852 2633 1 19 . 1 1 15 15 ARG N N 15 119.026 119.026 119.646 -0.620 18852 2634 1 19 . 1 1 15 15 ARG HA H 15 4.158 4.158 4.072 0.086 18852 2635 1 19 . 1 1 15 15 ARG C C 15 178.909 178.909 178.532 0.377 18852 2636 1 19 . 1 1 15 15 ARG CA C 15 59.233 59.233 59.368 -0.135 18852 2637 1 19 . 1 1 15 15 ARG CB C 15 29.772 29.772 29.973 -0.201 18852 2638 1 19 . 1 1 15 15 ARG H H 15 8.278 8.278 7.584 0.694 18852 2639 1 19 . 1 1 16 16 TRP N N 16 121.055 121.055 119.537 1.518 18852 2640 1 19 . 1 1 16 16 TRP HA H 16 4.389 4.389 4.480 -0.091 18852 2641 1 19 . 1 1 16 16 TRP C C 16 178.621 178.621 178.607 0.014 18852 2642 1 19 . 1 1 16 16 TRP CA C 16 61.013 61.013 59.648 1.365 18852 2643 1 19 . 1 1 16 16 TRP CB C 16 28.796 28.796 29.555 -0.759 18852 2644 1 19 . 1 1 16 16 TRP H H 16 8.464 8.464 7.579 0.885 18852 2645 1 19 . 1 1 17 17 ARG N N 17 119.474 119.474 119.662 -0.188 18852 2646 1 19 . 1 1 17 17 ARG HA H 17 3.910 3.910 4.228 -0.318 18852 2647 1 19 . 1 1 17 17 ARG C C 17 179.120 179.120 178.530 0.590 18852 2648 1 19 . 1 1 17 17 ARG CA C 17 59.627 59.627 58.285 1.342 18852 2649 1 19 . 1 1 17 17 ARG CB C 17 29.907 29.907 29.934 -0.027 18852 2650 1 19 . 1 1 17 17 ARG H H 17 8.537 8.537 8.237 0.300 18852 2651 1 19 . 1 1 18 18 GLU N N 18 119.223 119.223 118.862 0.361 18852 2652 1 19 . 1 1 18 18 GLU HA H 18 4.061 4.061 4.026 0.035 18852 2653 1 19 . 1 1 18 18 GLU C C 18 179.163 179.163 178.968 0.195 18852 2654 1 19 . 1 1 18 18 GLU CA C 18 59.138 59.138 59.215 -0.077 18852 2655 1 19 . 1 1 18 18 GLU CB C 18 29.135 29.135 29.323 -0.188 18852 2656 1 19 . 1 1 18 18 GLU H H 18 8.346 8.346 8.385 -0.039 18852 2657 1 19 . 1 1 19 19 ARG N N 19 119.942 119.942 118.737 1.205 18852 2658 1 19 . 1 1 19 19 ARG HA H 19 4.046 4.046 4.065 -0.019 18852 2659 1 19 . 1 1 19 19 ARG C C 19 178.634 178.634 179.069 -0.435 18852 2660 1 19 . 1 1 19 19 ARG CA C 19 59.016 59.016 59.033 -0.017 18852 2661 1 19 . 1 1 19 19 ARG CB C 19 29.371 29.371 29.907 -0.536 18852 2662 1 19 . 1 1 19 19 ARG H H 19 8.104 8.104 7.615 0.489 18852 2663 1 19 . 1 1 20 20 GLN N N 20 118.373 118.373 119.260 -0.887 18852 2664 1 19 . 1 1 20 20 GLN HA H 20 3.892 3.892 4.213 -0.321 18852 2665 1 19 . 1 1 20 20 GLN C C 20 178.465 178.465 178.018 0.447 18852 2666 1 19 . 1 1 20 20 GLN CA C 20 58.170 58.170 58.545 -0.375 18852 2667 1 19 . 1 1 20 20 GLN CB C 20 28.113 28.113 28.490 -0.377 18852 2668 1 19 . 1 1 20 20 GLN H H 20 8.044 8.044 7.798 0.246 18852 2669 1 19 . 1 1 21 21 ARG N N 21 119.374 119.374 120.309 -0.935 18852 2670 1 19 . 1 1 21 21 ARG HA H 21 4.034 4.034 4.017 0.017 18852 2671 1 19 . 1 1 21 21 ARG C C 21 178.423 178.423 178.209 0.214 18852 2672 1 19 . 1 1 21 21 ARG CA C 21 58.765 58.765 58.695 0.070 18852 2673 1 19 . 1 1 21 21 ARG CB C 21 29.676 29.676 29.642 0.034 18852 2674 1 19 . 1 1 21 21 ARG H H 21 8.079 8.079 8.304 -0.225 18852 2675 1 19 . 1 1 22 22 ALA N N 22 121.393 121.393 120.342 1.051 18852 2676 1 19 . 1 1 22 22 ALA HA H 22 4.146 4.146 4.108 0.038 18852 2677 1 19 . 1 1 22 22 ALA C C 22 179.577 179.577 178.453 1.124 18852 2678 1 19 . 1 1 22 22 ALA CA C 22 54.267 54.267 54.970 -0.703 18852 2679 1 19 . 1 1 22 22 ALA CB C 22 17.831 17.831 18.469 -0.638 18852 2680 1 19 . 1 1 22 22 ALA H H 22 8.026 8.026 7.528 0.498 18852 2681 1 19 . 1 1 23 23 ALA N N 23 119.867 119.867 120.577 -0.710 18852 2682 1 19 . 1 1 23 23 ALA HA H 23 4.158 4.158 4.152 0.006 18852 2683 1 19 . 1 1 23 23 ALA C C 23 178.616 178.616 179.389 -0.773 18852 2684 1 19 . 1 1 23 23 ALA CA C 23 53.714 53.714 54.027 -0.313 18852 2685 1 19 . 1 1 23 23 ALA CB C 23 18.045 18.045 18.910 -0.865 18852 2686 1 19 . 1 1 23 23 ALA H H 23 7.938 7.938 7.550 0.388 18852 2687 1 19 . 1 1 24 24 ALA N N 24 119.652 119.652 121.704 -2.052 18852 2688 1 19 . 1 1 24 24 ALA HA H 24 4.291 4.291 4.117 0.174 18852 2689 1 19 . 1 1 24 24 ALA C C 24 177.528 177.528 177.790 -0.262 18852 2690 1 19 . 1 1 24 24 ALA CA C 24 52.706 52.706 53.627 -0.921 18852 2691 1 19 . 1 1 24 24 ALA CB C 24 18.591 18.591 19.223 -0.632 18852 2692 1 19 . 1 1 24 24 ALA H H 24 7.693 7.693 8.394 -0.701 18852 2693 1 19 . 1 1 25 25 ALA N N 25 121.574 121.574 120.698 0.876 18852 2694 1 19 . 1 1 25 25 ALA HA H 25 4.329 4.329 4.530 -0.201 18852 2695 1 19 . 1 1 25 25 ALA C C 25 176.649 176.649 175.939 0.710 18852 2696 1 19 . 1 1 25 25 ALA CA C 25 52.566 52.566 51.112 1.454 18852 2697 1 19 . 1 1 25 25 ALA CB C 25 18.630 18.630 20.256 -1.626 18852 2698 1 19 . 1 1 25 25 ALA H H 25 7.679 7.679 7.738 -0.059 18852 2699 1 20 . 1 1 2 2 ALA HA H 2 4.239 4.239 4.151 0.088 18852 2700 1 20 . 1 1 2 2 ALA C C 2 179.180 179.180 179.725 -0.545 18852 2701 1 20 . 1 1 2 2 ALA CA C 2 54.532 54.532 54.566 -0.034 18852 2702 1 20 . 1 1 2 2 ALA CB C 2 18.397 18.397 19.575 -1.178 18852 2703 1 20 . 1 1 3 3 MET N N 3 117.814 117.814 118.195 -0.381 18852 2704 1 20 . 1 1 3 3 MET HA H 3 4.354 4.354 4.306 0.048 18852 2705 1 20 . 1 1 3 3 MET C C 3 177.926 177.926 177.659 0.267 18852 2706 1 20 . 1 1 3 3 MET CA C 3 57.876 57.876 57.799 0.077 18852 2707 1 20 . 1 1 3 3 MET CB C 3 31.673 31.673 32.281 -0.608 18852 2708 1 20 . 1 1 3 3 MET H H 3 8.613 8.613 8.370 0.243 18852 2709 1 20 . 1 1 4 4 ALA N N 4 122.603 122.603 120.521 2.082 18852 2710 1 20 . 1 1 4 4 ALA HA H 4 4.228 4.228 4.196 0.032 18852 2711 1 20 . 1 1 4 4 ALA C C 4 179.940 179.940 179.104 0.836 18852 2712 1 20 . 1 1 4 4 ALA CA C 4 54.689 54.689 54.788 -0.099 18852 2713 1 20 . 1 1 4 4 ALA CB C 4 18.025 18.025 18.444 -0.419 18852 2714 1 20 . 1 1 4 4 ALA H H 4 8.324 8.324 8.266 0.058 18852 2715 1 20 . 1 1 5 5 THR N N 5 112.671 112.671 112.413 0.258 18852 2716 1 20 . 1 1 5 5 THR HA H 5 4.121 4.121 4.115 0.006 18852 2717 1 20 . 1 1 5 5 THR C C 5 176.085 176.085 176.559 -0.474 18852 2718 1 20 . 1 1 5 5 THR CA C 5 65.053 65.053 64.712 0.341 18852 2719 1 20 . 1 1 5 5 THR CB C 5 68.989 68.989 68.884 0.105 18852 2720 1 20 . 1 1 5 5 THR H H 5 7.966 7.966 8.161 -0.195 18852 2721 1 20 . 1 1 6 6 ARG N N 6 122.300 122.300 121.885 0.415 18852 2722 1 20 . 1 1 6 6 ARG HA H 6 4.057 4.057 3.995 0.062 18852 2723 1 20 . 1 1 6 6 ARG C C 6 178.983 178.983 178.732 0.251 18852 2724 1 20 . 1 1 6 6 ARG CA C 6 59.963 59.963 58.781 1.182 18852 2725 1 20 . 1 1 6 6 ARG CB C 6 29.853 29.853 29.711 0.142 18852 2726 1 20 . 1 1 6 6 ARG H H 6 8.244 8.244 8.272 -0.028 18852 2727 1 20 . 1 1 7 7 GLN N N 7 118.940 118.940 119.316 -0.376 18852 2728 1 20 . 1 1 7 7 GLN HA H 7 4.058 4.058 4.095 -0.037 18852 2729 1 20 . 1 1 7 7 GLN C C 7 177.997 177.997 177.672 0.325 18852 2730 1 20 . 1 1 7 7 GLN CA C 7 58.735 58.735 58.703 0.032 18852 2731 1 20 . 1 1 7 7 GLN CB C 7 28.188 28.188 28.493 -0.305 18852 2732 1 20 . 1 1 7 7 GLN H H 7 8.424 8.424 7.769 0.655 18852 2733 1 20 . 1 1 8 8 ALA N N 8 122.920 122.920 122.198 0.722 18852 2734 1 20 . 1 1 8 8 ALA HA H 8 4.217 4.217 3.988 0.229 18852 2735 1 20 . 1 1 8 8 ALA C C 8 180.837 180.837 179.704 1.133 18852 2736 1 20 . 1 1 8 8 ALA CA C 8 55.319 55.319 54.873 0.446 18852 2737 1 20 . 1 1 8 8 ALA CB C 8 17.695 17.695 18.173 -0.478 18852 2738 1 20 . 1 1 8 8 ALA H H 8 8.306 8.306 7.632 0.674 18852 2739 1 20 . 1 1 9 9 ARG N N 9 118.721 118.721 117.589 1.132 18852 2740 1 20 . 1 1 9 9 ARG HA H 9 4.050 4.050 4.061 -0.011 18852 2741 1 20 . 1 1 9 9 ARG C C 9 178.843 178.843 178.992 -0.149 18852 2742 1 20 . 1 1 9 9 ARG CA C 9 59.721 59.721 59.071 0.650 18852 2743 1 20 . 1 1 9 9 ARG CB C 9 30.168 30.168 29.785 0.383 18852 2744 1 20 . 1 1 9 9 ARG H H 9 8.263 8.263 7.766 0.497 18852 2745 1 20 . 1 1 10 10 ARG N N 10 120.338 120.338 119.781 0.557 18852 2746 1 20 . 1 1 10 10 ARG HA H 10 4.074 4.074 4.138 -0.064 18852 2747 1 20 . 1 1 10 10 ARG C C 10 179.024 179.024 178.697 0.327 18852 2748 1 20 . 1 1 10 10 ARG CA C 10 59.542 59.542 59.550 -0.008 18852 2749 1 20 . 1 1 10 10 ARG CB C 10 29.904 29.904 29.950 -0.046 18852 2750 1 20 . 1 1 10 10 ARG H H 10 8.251 8.251 8.186 0.065 18852 2751 1 20 . 1 1 11 11 ASN N N 11 118.863 118.863 118.243 0.620 18852 2752 1 20 . 1 1 11 11 ASN HA H 11 4.543 4.543 4.478 0.065 18852 2753 1 20 . 1 1 11 11 ASN C C 11 177.279 177.279 177.817 -0.538 18852 2754 1 20 . 1 1 11 11 ASN CA C 11 55.979 55.979 55.932 0.047 18852 2755 1 20 . 1 1 11 11 ASN CB C 11 37.983 37.983 38.147 -0.164 18852 2756 1 20 . 1 1 11 11 ASN H H 11 8.551 8.551 7.976 0.575 18852 2757 1 20 . 1 1 12 12 ARG N N 12 120.917 120.917 120.820 0.097 18852 2758 1 20 . 1 1 12 12 ARG HA H 12 4.079 4.079 4.079 -0.000 18852 2759 1 20 . 1 1 12 12 ARG C C 12 178.488 178.488 178.915 -0.427 18852 2760 1 20 . 1 1 12 12 ARG CA C 12 59.787 59.787 58.662 1.125 18852 2761 1 20 . 1 1 12 12 ARG CB C 12 29.937 29.937 30.150 -0.213 18852 2762 1 20 . 1 1 12 12 ARG H H 12 8.253 8.253 8.425 -0.172 18852 2763 1 20 . 1 1 13 13 ARG N N 13 119.263 119.263 119.652 -0.389 18852 2764 1 20 . 1 1 13 13 ARG HA H 13 4.189 4.189 4.210 -0.021 18852 2765 1 20 . 1 1 13 13 ARG C C 13 178.479 178.479 178.768 -0.289 18852 2766 1 20 . 1 1 13 13 ARG CA C 13 59.572 59.572 58.994 0.578 18852 2767 1 20 . 1 1 13 13 ARG CB C 13 30.067 30.067 29.564 0.503 18852 2768 1 20 . 1 1 13 13 ARG H H 13 8.167 8.167 7.666 0.501 18852 2769 1 20 . 1 1 14 14 ARG N N 14 119.756 119.756 119.002 0.754 18852 2770 1 20 . 1 1 14 14 ARG HA H 14 4.141 4.141 4.090 0.051 18852 2771 1 20 . 1 1 14 14 ARG C C 14 178.817 178.817 178.372 0.445 18852 2772 1 20 . 1 1 14 14 ARG CA C 14 59.695 59.695 58.706 0.989 18852 2773 1 20 . 1 1 14 14 ARG CB C 14 29.812 29.812 29.678 0.134 18852 2774 1 20 . 1 1 14 14 ARG H H 14 8.285 8.285 8.589 -0.304 18852 2775 1 20 . 1 1 15 15 ARG N N 15 119.026 119.026 120.431 -1.405 18852 2776 1 20 . 1 1 15 15 ARG HA H 15 4.158 4.158 3.980 0.178 18852 2777 1 20 . 1 1 15 15 ARG C C 15 178.909 178.909 178.505 0.404 18852 2778 1 20 . 1 1 15 15 ARG CA C 15 59.233 59.233 59.547 -0.314 18852 2779 1 20 . 1 1 15 15 ARG CB C 15 29.772 29.772 29.516 0.256 18852 2780 1 20 . 1 1 15 15 ARG H H 15 8.278 8.278 7.703 0.575 18852 2781 1 20 . 1 1 16 16 TRP N N 16 121.055 121.055 118.801 2.254 18852 2782 1 20 . 1 1 16 16 TRP HA H 16 4.389 4.389 4.357 0.032 18852 2783 1 20 . 1 1 16 16 TRP C C 16 178.621 178.621 178.904 -0.283 18852 2784 1 20 . 1 1 16 16 TRP CA C 16 61.013 61.013 59.794 1.220 18852 2785 1 20 . 1 1 16 16 TRP CB C 16 28.796 28.796 29.136 -0.340 18852 2786 1 20 . 1 1 16 16 TRP H H 16 8.464 8.464 7.626 0.838 18852 2787 1 20 . 1 1 17 17 ARG N N 17 119.474 119.474 119.353 0.121 18852 2788 1 20 . 1 1 17 17 ARG HA H 17 3.910 3.910 4.114 -0.204 18852 2789 1 20 . 1 1 17 17 ARG C C 17 179.120 179.120 178.469 0.651 18852 2790 1 20 . 1 1 17 17 ARG CA C 17 59.627 59.627 59.103 0.524 18852 2791 1 20 . 1 1 17 17 ARG CB C 17 29.907 29.907 29.662 0.245 18852 2792 1 20 . 1 1 17 17 ARG H H 17 8.537 8.537 7.516 1.021 18852 2793 1 20 . 1 1 18 18 GLU N N 18 119.223 119.223 117.906 1.317 18852 2794 1 20 . 1 1 18 18 GLU HA H 18 4.061 4.061 4.072 -0.011 18852 2795 1 20 . 1 1 18 18 GLU C C 18 179.163 179.163 178.985 0.178 18852 2796 1 20 . 1 1 18 18 GLU CA C 18 59.138 59.138 58.832 0.306 18852 2797 1 20 . 1 1 18 18 GLU CB C 18 29.135 29.135 29.265 -0.130 18852 2798 1 20 . 1 1 18 18 GLU H H 18 8.346 8.346 8.266 0.080 18852 2799 1 20 . 1 1 19 19 ARG N N 19 119.942 119.942 118.928 1.014 18852 2800 1 20 . 1 1 19 19 ARG HA H 19 4.046 4.046 4.222 -0.176 18852 2801 1 20 . 1 1 19 19 ARG C C 19 178.634 178.634 178.988 -0.354 18852 2802 1 20 . 1 1 19 19 ARG CA C 19 59.016 59.016 58.216 0.800 18852 2803 1 20 . 1 1 19 19 ARG CB C 19 29.371 29.371 30.490 -1.119 18852 2804 1 20 . 1 1 19 19 ARG H H 19 8.104 8.104 8.109 -0.005 18852 2805 1 20 . 1 1 20 20 GLN N N 20 118.373 118.373 120.096 -1.723 18852 2806 1 20 . 1 1 20 20 GLN HA H 20 3.892 3.892 4.124 -0.232 18852 2807 1 20 . 1 1 20 20 GLN C C 20 178.465 178.465 177.927 0.538 18852 2808 1 20 . 1 1 20 20 GLN CA C 20 58.170 58.170 58.831 -0.661 18852 2809 1 20 . 1 1 20 20 GLN CB C 20 28.113 28.113 28.430 -0.317 18852 2810 1 20 . 1 1 20 20 GLN H H 20 8.044 8.044 7.941 0.103 18852 2811 1 20 . 1 1 21 21 ARG N N 21 119.374 119.374 119.693 -0.319 18852 2812 1 20 . 1 1 21 21 ARG HA H 21 4.034 4.034 3.984 0.050 18852 2813 1 20 . 1 1 21 21 ARG C C 21 178.423 178.423 178.553 -0.130 18852 2814 1 20 . 1 1 21 21 ARG CA C 21 58.765 58.765 59.478 -0.713 18852 2815 1 20 . 1 1 21 21 ARG CB C 21 29.676 29.676 29.831 -0.155 18852 2816 1 20 . 1 1 21 21 ARG H H 21 8.079 8.079 7.747 0.332 18852 2817 1 20 . 1 1 22 22 ALA N N 22 121.393 121.393 121.059 0.334 18852 2818 1 20 . 1 1 22 22 ALA HA H 22 4.146 4.146 4.106 0.040 18852 2819 1 20 . 1 1 22 22 ALA C C 22 179.577 179.577 178.453 1.124 18852 2820 1 20 . 1 1 22 22 ALA CA C 22 54.267 54.267 55.094 -0.828 18852 2821 1 20 . 1 1 22 22 ALA CB C 22 17.831 17.831 18.477 -0.646 18852 2822 1 20 . 1 1 22 22 ALA H H 22 8.026 8.026 7.634 0.392 18852 2823 1 20 . 1 1 23 23 ALA N N 23 119.867 119.867 120.658 -0.791 18852 2824 1 20 . 1 1 23 23 ALA HA H 23 4.158 4.158 4.313 -0.155 18852 2825 1 20 . 1 1 23 23 ALA C C 23 178.616 178.616 179.328 -0.712 18852 2826 1 20 . 1 1 23 23 ALA CA C 23 53.714 53.714 53.734 -0.020 18852 2827 1 20 . 1 1 23 23 ALA CB C 23 18.045 18.045 18.699 -0.654 18852 2828 1 20 . 1 1 23 23 ALA H H 23 7.938 7.938 7.562 0.376 18852 2829 1 20 . 1 1 24 24 ALA N N 24 119.652 119.652 121.629 -1.977 18852 2830 1 20 . 1 1 24 24 ALA HA H 24 4.291 4.291 4.092 0.199 18852 2831 1 20 . 1 1 24 24 ALA C C 24 177.528 177.528 177.840 -0.312 18852 2832 1 20 . 1 1 24 24 ALA CA C 24 52.706 52.706 54.153 -1.446 18852 2833 1 20 . 1 1 24 24 ALA CB C 24 18.591 18.591 19.245 -0.654 18852 2834 1 20 . 1 1 24 24 ALA H H 24 7.693 7.693 8.269 -0.576 18852 2835 1 20 . 1 1 25 25 ALA N N 25 121.574 121.574 120.410 1.164 18852 2836 1 20 . 1 1 25 25 ALA HA H 25 4.329 4.329 4.496 -0.167 18852 2837 1 20 . 1 1 25 25 ALA C C 25 176.649 176.649 175.639 1.010 18852 2838 1 20 . 1 1 25 25 ALA CA C 25 52.566 52.566 51.012 1.554 18852 2839 1 20 . 1 1 25 25 ALA CB C 25 18.630 18.630 20.322 -1.692 18852 2840 1 20 . 1 1 25 25 ALA H H 25 7.679 7.679 7.969 -0.290 18852 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 23 1.272 -0.468 1.209 18852 2 1 1 "Average Difference" HA 24 0.127 0.012 0.130 18852 3 1 1 "Average Difference" C 24 0.607 -0.239 0.571 18852 4 1 1 "Average Difference" CA 24 0.856 -0.306 0.816 18852 5 1 1 "Average Difference" CB 24 0.599 0.351 0.496 18852 6 1 1 "Average Difference" HN 23 0.525 -0.369 0.382 18852 7 1 2 "Average Difference" N 23 1.179 -0.349 1.152 18852 8 1 2 "Average Difference" HA 24 0.112 -0.019 0.113 18852 9 1 2 "Average Difference" C 24 0.581 -0.244 0.539 18852 10 1 2 "Average Difference" CA 24 0.658 -0.287 0.604 18852 11 1 2 "Average Difference" CB 24 0.520 0.298 0.436 18852 12 1 2 "Average Difference" HN 23 0.519 -0.390 0.351 18852 13 1 3 "Average Difference" N 23 1.085 -0.382 1.038 18852 14 1 3 "Average Difference" HA 24 0.136 0.019 0.138 18852 15 1 3 "Average Difference" C 24 0.562 -0.227 0.526 18852 16 1 3 "Average Difference" CA 24 0.862 -0.376 0.793 18852 17 1 3 "Average Difference" CB 24 0.565 0.345 0.457 18852 18 1 3 "Average Difference" HN 23 0.505 -0.296 0.418 18852 19 1 4 "Average Difference" N 23 1.028 -0.186 1.034 18852 20 1 4 "Average Difference" HA 24 0.143 -0.021 0.144 18852 21 1 4 "Average Difference" C 24 0.571 -0.201 0.546 18852 22 1 4 "Average Difference" CA 24 0.783 -0.279 0.747 18852 23 1 4 "Average Difference" CB 24 0.570 0.282 0.506 18852 24 1 4 "Average Difference" HN 23 0.468 -0.349 0.319 18852 25 1 5 "Average Difference" N 23 1.401 -0.184 1.420 18852 26 1 5 "Average Difference" HA 24 0.142 -0.043 0.139 18852 27 1 5 "Average Difference" C 24 0.570 -0.224 0.536 18852 28 1 5 "Average Difference" CA 24 0.872 -0.189 0.870 18852 29 1 5 "Average Difference" CB 24 0.556 0.271 0.497 18852 30 1 5 "Average Difference" HN 23 0.430 -0.329 0.283 18852 31 1 6 "Average Difference" N 23 1.074 -0.322 1.047 18852 32 1 6 "Average Difference" HA 24 0.172 -0.056 0.166 18852 33 1 6 "Average Difference" C 24 0.546 -0.194 0.521 18852 34 1 6 "Average Difference" CA 24 0.710 -0.173 0.703 18852 35 1 6 "Average Difference" CB 24 0.548 0.219 0.513 18852 36 1 6 "Average Difference" HN 23 0.513 -0.321 0.409 18852 37 1 7 "Average Difference" N 23 1.016 -0.358 0.972 18852 38 1 7 "Average Difference" HA 24 0.138 -0.040 0.135 18852 39 1 7 "Average Difference" C 24 0.607 -0.224 0.576 18852 40 1 7 "Average Difference" CA 24 0.749 -0.243 0.724 18852 41 1 7 "Average Difference" CB 24 0.523 0.277 0.453 18852 42 1 7 "Average Difference" HN 23 0.459 -0.347 0.308 18852 43 1 8 "Average Difference" N 23 0.831 -0.460 0.708 18852 44 1 8 "Average Difference" HA 24 0.115 -0.030 0.114 18852 45 1 8 "Average Difference" C 24 0.557 -0.206 0.528 18852 46 1 8 "Average Difference" CA 24 0.708 -0.230 0.684 18852 47 1 8 "Average Difference" CB 24 0.588 0.248 0.545 18852 48 1 8 "Average Difference" HN 23 0.530 -0.387 0.371 18852 49 1 9 "Average Difference" N 23 1.089 -0.220 1.091 18852 50 1 9 "Average Difference" HA 24 0.113 -0.023 0.113 18852 51 1 9 "Average Difference" C 24 0.560 -0.265 0.503 18852 52 1 9 "Average Difference" CA 24 0.734 -0.206 0.719 18852 53 1 9 "Average Difference" CB 24 0.597 0.239 0.559 18852 54 1 9 "Average Difference" HN 23 0.454 -0.272 0.371 18852 55 1 10 "Average Difference" N 23 1.289 -0.396 1.254 18852 56 1 10 "Average Difference" HA 24 0.170 -0.013 0.173 18852 57 1 10 "Average Difference" C 24 0.548 -0.171 0.532 18852 58 1 10 "Average Difference" CA 24 0.747 -0.216 0.730 18852 59 1 10 "Average Difference" CB 24 0.662 0.313 0.596 18852 60 1 10 "Average Difference" HN 23 0.423 -0.285 0.319 18852 61 1 11 "Average Difference" N 23 0.927 -0.372 0.868 18852 62 1 11 "Average Difference" HA 24 0.096 -0.025 0.095 18852 63 1 11 "Average Difference" C 24 0.570 -0.215 0.539 18852 64 1 11 "Average Difference" CA 24 0.718 -0.102 0.726 18852 65 1 11 "Average Difference" CB 24 0.517 0.279 0.445 18852 66 1 11 "Average Difference" HN 23 0.524 -0.362 0.388 18852 67 1 12 "Average Difference" N 23 1.156 -0.225 1.159 18852 68 1 12 "Average Difference" HA 24 0.111 -0.013 0.113 18852 69 1 12 "Average Difference" C 24 0.642 -0.261 0.599 18852 70 1 12 "Average Difference" CA 24 0.942 -0.263 0.924 18852 71 1 12 "Average Difference" CB 24 0.531 0.296 0.450 18852 72 1 12 "Average Difference" HN 23 0.441 -0.295 0.335 18852 73 1 13 "Average Difference" N 23 1.010 -0.239 1.003 18852 74 1 13 "Average Difference" HA 24 0.139 -0.001 0.142 18852 75 1 13 "Average Difference" C 24 0.527 -0.144 0.518 18852 76 1 13 "Average Difference" CA 24 0.801 -0.266 0.772 18852 77 1 13 "Average Difference" CB 24 0.571 0.262 0.519 18852 78 1 13 "Average Difference" HN 23 0.462 -0.296 0.362 18852 79 1 14 "Average Difference" N 23 1.586 -0.568 1.514 18852 80 1 14 "Average Difference" HA 24 0.145 0.028 0.145 18852 81 1 14 "Average Difference" C 24 0.610 -0.350 0.511 18852 82 1 14 "Average Difference" CA 24 1.052 -0.505 0.942 18852 83 1 14 "Average Difference" CB 24 0.624 0.339 0.535 18852 84 1 14 "Average Difference" HN 23 0.507 -0.345 0.381 18852 85 1 15 "Average Difference" N 23 0.921 -0.361 0.867 18852 86 1 15 "Average Difference" HA 24 0.108 -0.021 0.109 18852 87 1 15 "Average Difference" C 24 0.494 -0.171 0.473 18852 88 1 15 "Average Difference" CA 24 0.584 -0.235 0.546 18852 89 1 15 "Average Difference" CB 24 0.581 0.315 0.499 18852 90 1 15 "Average Difference" HN 23 0.455 -0.337 0.312 18852 91 1 16 "Average Difference" N 23 1.058 -0.255 1.050 18852 92 1 16 "Average Difference" HA 24 0.126 -0.042 0.121 18852 93 1 16 "Average Difference" C 24 0.596 -0.188 0.577 18852 94 1 16 "Average Difference" CA 24 0.781 -0.116 0.789 18852 95 1 16 "Average Difference" CB 24 0.512 0.259 0.451 18852 96 1 16 "Average Difference" HN 23 0.518 -0.302 0.430 18852 97 1 17 "Average Difference" N 23 0.976 -0.174 0.982 18852 98 1 17 "Average Difference" HA 24 0.115 -0.036 0.111 18852 99 1 17 "Average Difference" C 24 0.553 -0.158 0.541 18852 100 1 17 "Average Difference" CA 24 0.637 -0.108 0.641 18852 101 1 17 "Average Difference" CB 24 0.501 0.214 0.463 18852 102 1 17 "Average Difference" HN 23 0.495 -0.255 0.434 18852 103 1 18 "Average Difference" N 23 1.188 -0.294 1.177 18852 104 1 18 "Average Difference" HA 24 0.125 -0.005 0.127 18852 105 1 18 "Average Difference" C 24 0.665 -0.292 0.610 18852 106 1 18 "Average Difference" CA 24 0.898 -0.382 0.830 18852 107 1 18 "Average Difference" CB 24 0.549 0.220 0.513 18852 108 1 18 "Average Difference" HN 23 0.463 -0.294 0.365 18852 109 1 19 "Average Difference" N 23 1.250 -0.254 1.251 18852 110 1 19 "Average Difference" HA 24 0.134 0.018 0.135 18852 111 1 19 "Average Difference" C 24 0.564 -0.215 0.532 18852 112 1 19 "Average Difference" CA 24 0.901 -0.208 0.896 18852 113 1 19 "Average Difference" CB 24 0.596 0.311 0.519 18852 114 1 19 "Average Difference" HN 23 0.450 -0.247 0.384 18852 115 1 20 "Average Difference" N 23 1.083 -0.238 1.080 18852 116 1 20 "Average Difference" HA 24 0.118 -0.000 0.121 18852 117 1 20 "Average Difference" C 24 0.564 -0.136 0.559 18852 118 1 20 "Average Difference" CA 24 0.749 -0.240 0.725 18852 119 1 20 "Average Difference" CB 24 0.597 0.306 0.523 18852 120 1 20 "Average Difference" HN 23 0.459 -0.235 0.403 18852 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 18852 _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 2 2 ALA HA H 2 4.239 4.239 4.210 0.029 18852 2 1 . 1 1 2 2 ALA C C 2 179.180 179.180 179.460 -0.280 18852 3 1 . 1 1 2 2 ALA CA C 2 54.532 54.532 54.136 0.397 18852 4 1 . 1 1 2 2 ALA CB C 2 18.397 18.397 19.252 -0.855 18852 5 1 . 1 1 3 3 MET N N 3 117.814 117.814 117.590 0.224 18852 6 1 . 1 1 3 3 MET HA H 3 4.354 4.354 4.276 0.077 18852 7 1 . 1 1 3 3 MET C C 3 177.926 177.926 177.840 0.086 18852 8 1 . 1 1 3 3 MET CA C 3 57.876 57.876 57.528 0.348 18852 9 1 . 1 1 3 3 MET CB C 3 31.673 31.673 32.076 -0.403 18852 10 1 . 1 1 3 3 MET H H 3 8.613 8.613 8.181 0.433 18852 11 1 . 1 1 4 4 ALA N N 4 122.603 122.603 121.405 1.198 18852 12 1 . 1 1 4 4 ALA HA H 4 4.228 4.228 4.127 0.101 18852 13 1 . 1 1 4 4 ALA C C 4 179.940 179.940 179.368 0.572 18852 14 1 . 1 1 4 4 ALA CA C 4 54.689 54.689 55.109 -0.420 18852 15 1 . 1 1 4 4 ALA CB C 4 18.025 18.025 18.106 -0.081 18852 16 1 . 1 1 4 4 ALA H H 4 8.324 8.324 8.231 0.093 18852 17 1 . 1 1 5 5 THR N N 5 112.671 112.671 113.361 -0.690 18852 18 1 . 1 1 5 5 THR HA H 5 4.121 4.121 3.975 0.146 18852 19 1 . 1 1 5 5 THR C C 5 176.085 176.085 176.539 -0.454 18852 20 1 . 1 1 5 5 THR CA C 5 65.053 65.053 65.935 -0.882 18852 21 1 . 1 1 5 5 THR CB C 5 68.989 68.989 68.580 0.409 18852 22 1 . 1 1 5 5 THR H H 5 7.966 7.966 7.800 0.166 18852 23 1 . 1 1 6 6 ARG N N 6 122.300 122.300 121.461 0.839 18852 24 1 . 1 1 6 6 ARG HA H 6 4.057 4.057 4.002 0.055 18852 25 1 . 1 1 6 6 ARG C C 6 178.983 178.983 178.678 0.305 18852 26 1 . 1 1 6 6 ARG CA C 6 59.963 59.963 59.235 0.728 18852 27 1 . 1 1 6 6 ARG CB C 6 29.853 29.853 29.977 -0.124 18852 28 1 . 1 1 6 6 ARG H H 6 8.244 8.244 7.670 0.574 18852 29 1 . 1 1 7 7 GLN N N 7 118.940 118.940 118.842 0.098 18852 30 1 . 1 1 7 7 GLN HA H 7 4.058 4.058 4.098 -0.040 18852 31 1 . 1 1 7 7 GLN C C 7 177.997 177.997 177.887 0.110 18852 32 1 . 1 1 7 7 GLN CA C 7 58.735 58.735 58.371 0.364 18852 33 1 . 1 1 7 7 GLN CB C 7 28.188 28.188 28.344 -0.156 18852 34 1 . 1 1 7 7 GLN H H 7 8.424 8.424 7.824 0.600 18852 35 1 . 1 1 8 8 ALA N N 8 122.920 122.920 122.253 0.667 18852 36 1 . 1 1 8 8 ALA HA H 8 4.217 4.217 4.029 0.188 18852 37 1 . 1 1 8 8 ALA C C 8 180.837 180.837 179.600 1.237 18852 38 1 . 1 1 8 8 ALA CA C 8 55.319 55.319 54.905 0.414 18852 39 1 . 1 1 8 8 ALA CB C 8 17.695 17.695 18.241 -0.546 18852 40 1 . 1 1 8 8 ALA H H 8 8.306 8.306 7.884 0.422 18852 41 1 . 1 1 9 9 ARG N N 9 118.721 118.721 117.935 0.786 18852 42 1 . 1 1 9 9 ARG HA H 9 4.050 4.050 4.061 -0.010 18852 43 1 . 1 1 9 9 ARG C C 9 178.843 178.843 178.644 0.199 18852 44 1 . 1 1 9 9 ARG CA C 9 59.721 59.721 58.817 0.904 18852 45 1 . 1 1 9 9 ARG CB C 9 30.168 30.168 29.912 0.256 18852 46 1 . 1 1 9 9 ARG H H 9 8.263 8.263 7.851 0.412 18852 47 1 . 1 1 10 10 ARG N N 10 120.338 120.338 119.059 1.279 18852 48 1 . 1 1 10 10 ARG HA H 10 4.074 4.074 4.107 -0.033 18852 49 1 . 1 1 10 10 ARG C C 10 179.024 179.024 178.565 0.459 18852 50 1 . 1 1 10 10 ARG CA C 10 59.542 59.542 59.189 0.353 18852 51 1 . 1 1 10 10 ARG CB C 10 29.904 29.904 29.849 0.055 18852 52 1 . 1 1 10 10 ARG H H 10 8.251 8.251 7.823 0.428 18852 53 1 . 1 1 11 11 ASN N N 11 118.863 118.863 118.162 0.701 18852 54 1 . 1 1 11 11 ASN HA H 11 4.543 4.543 4.497 0.046 18852 55 1 . 1 1 11 11 ASN C C 11 177.279 177.279 177.487 -0.208 18852 56 1 . 1 1 11 11 ASN CA C 11 55.979 55.979 55.954 0.025 18852 57 1 . 1 1 11 11 ASN CB C 11 37.983 37.983 38.062 -0.079 18852 58 1 . 1 1 11 11 ASN H H 11 8.551 8.551 8.046 0.505 18852 59 1 . 1 1 12 12 ARG N N 12 120.917 120.917 120.696 0.221 18852 60 1 . 1 1 12 12 ARG HA H 12 4.079 4.079 4.035 0.044 18852 61 1 . 1 1 12 12 ARG C C 12 178.488 178.488 178.548 -0.060 18852 62 1 . 1 1 12 12 ARG CA C 12 59.787 59.787 59.217 0.570 18852 63 1 . 1 1 12 12 ARG CB C 12 29.937 29.937 30.092 -0.155 18852 64 1 . 1 1 12 12 ARG H H 12 8.253 8.253 8.117 0.136 18852 65 1 . 1 1 13 13 ARG N N 13 119.263 119.263 118.245 1.018 18852 66 1 . 1 1 13 13 ARG HA H 13 4.189 4.189 4.220 -0.031 18852 67 1 . 1 1 13 13 ARG C C 13 178.479 178.479 178.790 -0.311 18852 68 1 . 1 1 13 13 ARG CA C 13 59.572 59.572 58.708 0.864 18852 69 1 . 1 1 13 13 ARG CB C 13 30.067 30.067 29.794 0.273 18852 70 1 . 1 1 13 13 ARG H H 13 8.167 8.167 7.874 0.293 18852 71 1 . 1 1 14 14 ARG N N 14 119.756 119.756 120.178 -0.422 18852 72 1 . 1 1 14 14 ARG HA H 14 4.141 4.141 4.085 0.056 18852 73 1 . 1 1 14 14 ARG C C 14 178.817 178.817 178.510 0.307 18852 74 1 . 1 1 14 14 ARG CA C 14 59.695 59.695 59.166 0.529 18852 75 1 . 1 1 14 14 ARG CB C 14 29.812 29.812 29.965 -0.153 18852 76 1 . 1 1 14 14 ARG H H 14 8.285 8.285 8.013 0.272 18852 77 1 . 1 1 15 15 ARG N N 15 119.026 119.026 119.533 -0.507 18852 78 1 . 1 1 15 15 ARG HA H 15 4.158 4.158 4.060 0.098 18852 79 1 . 1 1 15 15 ARG C C 15 178.909 178.909 178.583 0.326 18852 80 1 . 1 1 15 15 ARG CA C 15 59.233 59.233 59.333 -0.100 18852 81 1 . 1 1 15 15 ARG CB C 15 29.772 29.772 29.735 0.037 18852 82 1 . 1 1 15 15 ARG H H 15 8.278 8.278 7.998 0.280 18852 83 1 . 1 1 16 16 TRP N N 16 121.055 121.055 119.928 1.127 18852 84 1 . 1 1 16 16 TRP HA H 16 4.389 4.389 4.396 -0.007 18852 85 1 . 1 1 16 16 TRP C C 16 178.621 178.621 178.279 0.342 18852 86 1 . 1 1 16 16 TRP CA C 16 61.013 61.013 60.025 0.988 18852 87 1 . 1 1 16 16 TRP CB C 16 28.796 28.796 29.234 -0.438 18852 88 1 . 1 1 16 16 TRP H H 16 8.464 8.464 7.737 0.727 18852 89 1 . 1 1 17 17 ARG N N 17 119.474 119.474 119.218 0.256 18852 90 1 . 1 1 17 17 ARG HA H 17 3.910 3.910 3.919 -0.009 18852 91 1 . 1 1 17 17 ARG C C 17 179.120 179.120 178.555 0.565 18852 92 1 . 1 1 17 17 ARG CA C 17 59.627 59.627 58.875 0.752 18852 93 1 . 1 1 17 17 ARG CB C 17 29.907 29.907 29.756 0.151 18852 94 1 . 1 1 17 17 ARG H H 17 8.537 8.537 7.746 0.791 18852 95 1 . 1 1 18 18 GLU N N 18 119.223 119.223 118.274 0.949 18852 96 1 . 1 1 18 18 GLU HA H 18 4.061 4.061 4.046 0.015 18852 97 1 . 1 1 18 18 GLU C C 18 179.163 179.163 179.081 0.082 18852 98 1 . 1 1 18 18 GLU CA C 18 59.138 59.138 58.936 0.202 18852 99 1 . 1 1 18 18 GLU CB C 18 29.135 29.135 29.267 -0.132 18852 100 1 . 1 1 18 18 GLU H H 18 8.346 8.346 8.003 0.343 18852 101 1 . 1 1 19 19 ARG N N 19 119.942 119.942 118.970 0.972 18852 102 1 . 1 1 19 19 ARG HA H 19 4.046 4.046 4.137 -0.092 18852 103 1 . 1 1 19 19 ARG C C 19 178.634 178.634 178.804 -0.170 18852 104 1 . 1 1 19 19 ARG CA C 19 59.016 59.016 58.377 0.639 18852 105 1 . 1 1 19 19 ARG CB C 19 29.371 29.371 30.190 -0.819 18852 106 1 . 1 1 19 19 ARG H H 19 8.104 8.104 8.011 0.093 18852 107 1 . 1 1 20 20 GLN N N 20 118.373 118.373 119.309 -0.936 18852 108 1 . 1 1 20 20 GLN HA H 20 3.892 3.892 4.056 -0.164 18852 109 1 . 1 1 20 20 GLN C C 20 178.465 178.465 177.699 0.766 18852 110 1 . 1 1 20 20 GLN CA C 20 58.170 58.170 58.554 -0.384 18852 111 1 . 1 1 20 20 GLN CB C 20 28.113 28.113 28.291 -0.178 18852 112 1 . 1 1 20 20 GLN H H 20 8.044 8.044 7.821 0.223 18852 113 1 . 1 1 21 21 ARG N N 21 119.374 119.374 119.821 -0.447 18852 114 1 . 1 1 21 21 ARG HA H 21 4.034 4.034 3.983 0.051 18852 115 1 . 1 1 21 21 ARG C C 21 178.423 178.423 178.318 0.105 18852 116 1 . 1 1 21 21 ARG CA C 21 58.765 58.765 58.987 -0.222 18852 117 1 . 1 1 21 21 ARG CB C 21 29.676 29.676 29.866 -0.190 18852 118 1 . 1 1 21 21 ARG H H 21 8.079 8.079 7.736 0.343 18852 119 1 . 1 1 22 22 ALA N N 22 121.393 121.393 120.327 1.066 18852 120 1 . 1 1 22 22 ALA HA H 22 4.146 4.146 4.128 0.018 18852 121 1 . 1 1 22 22 ALA C C 22 179.577 179.577 178.345 1.232 18852 122 1 . 1 1 22 22 ALA CA C 22 54.267 54.267 54.897 -0.630 18852 123 1 . 1 1 22 22 ALA CB C 22 17.831 17.831 18.469 -0.638 18852 124 1 . 1 1 22 22 ALA H H 22 8.026 8.026 7.615 0.411 18852 125 1 . 1 1 23 23 ALA N N 23 119.867 119.867 120.619 -0.751 18852 126 1 . 1 1 23 23 ALA HA H 23 4.158 4.158 4.266 -0.107 18852 127 1 . 1 1 23 23 ALA C C 23 178.616 178.616 179.299 -0.683 18852 128 1 . 1 1 23 23 ALA CA C 23 53.714 53.714 53.877 -0.163 18852 129 1 . 1 1 23 23 ALA CB C 23 18.045 18.045 18.705 -0.660 18852 130 1 . 1 1 23 23 ALA H H 23 7.938 7.938 7.555 0.383 18852 131 1 . 1 1 24 24 ALA N N 24 119.652 119.652 121.002 -1.350 18852 132 1 . 1 1 24 24 ALA HA H 24 4.291 4.291 4.116 0.175 18852 133 1 . 1 1 24 24 ALA C C 24 177.528 177.528 177.653 -0.125 18852 134 1 . 1 1 24 24 ALA CA C 24 52.706 52.706 53.793 -1.087 18852 135 1 . 1 1 24 24 ALA CB C 24 18.591 18.591 19.225 -0.634 18852 136 1 . 1 1 24 24 ALA H H 24 7.693 7.693 8.306 -0.613 18852 137 1 . 1 1 25 25 ALA N N 25 121.574 121.574 120.622 0.952 18852 138 1 . 1 1 25 25 ALA HA H 25 4.329 4.329 4.563 -0.234 18852 139 1 . 1 1 25 25 ALA C C 25 176.649 176.649 175.862 0.787 18852 140 1 . 1 1 25 25 ALA CA C 25 52.566 52.566 50.839 1.727 18852 141 1 . 1 1 25 25 ALA CB C 25 18.630 18.630 20.343 -1.713 18852 142 1 . 1 1 25 25 ALA H H 25 7.679 7.679 7.737 -0.058 18852 stop_ save_