data_19654 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19654 _Entry.PDB_ID 2MHS 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 19654 _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 GLU HA H 2 4.333 4.333 4.231 0.102 19654 2 1 1 . 1 1 2 2 GLU CA C 2 56.183 56.183 55.601 0.582 19654 3 1 1 . 1 1 2 2 GLU CB C 2 30.150 30.150 30.706 -0.556 19654 4 1 1 . 1 1 3 3 ASP N N 3 122.553 122.553 119.633 2.920 19654 5 1 1 . 1 1 3 3 ASP HA H 3 4.729 4.729 4.715 0.014 19654 6 1 1 . 1 1 3 3 ASP CA C 3 53.659 53.659 53.640 0.019 19654 7 1 1 . 1 1 3 3 ASP CB C 3 41.319 41.319 42.629 -1.310 19654 8 1 1 . 1 1 3 3 ASP H H 3 8.437 8.437 8.079 0.358 19654 9 1 1 . 1 1 4 4 GLU N N 4 125.121 125.121 121.244 3.877 19654 10 1 1 . 1 1 4 4 GLU HA H 4 4.235 4.235 4.088 0.147 19654 11 1 1 . 1 1 4 4 GLU CA C 4 58.915 58.915 59.648 -0.733 19654 12 1 1 . 1 1 4 4 GLU CB C 4 29.274 29.274 29.908 -0.634 19654 13 1 1 . 1 1 4 4 GLU H H 4 8.726 8.726 8.642 0.084 19654 14 1 1 . 1 1 5 5 LEU N N 5 120.976 120.976 120.664 0.312 19654 15 1 1 . 1 1 5 5 LEU HA H 5 4.517 4.517 4.210 0.307 19654 16 1 1 . 1 1 5 5 LEU CA C 5 57.939 57.939 57.805 0.134 19654 17 1 1 . 1 1 5 5 LEU CB C 5 40.917 40.917 41.328 -0.411 19654 18 1 1 . 1 1 5 5 LEU H H 5 8.381 8.381 8.205 0.176 19654 19 1 1 . 1 1 6 6 TYR N N 6 123.977 123.977 119.563 4.414 19654 20 1 1 . 1 1 6 6 TYR HA H 6 3.865 3.865 4.319 -0.454 19654 21 1 1 . 1 1 6 6 TYR CA C 6 62.721 62.721 61.545 1.176 19654 22 1 1 . 1 1 6 6 TYR CB C 6 38.475 38.475 38.204 0.271 19654 23 1 1 . 1 1 6 6 TYR H H 6 8.342 8.342 8.281 0.061 19654 24 1 1 . 1 1 7 7 ARG N N 7 118.301 118.301 118.409 -0.108 19654 25 1 1 . 1 1 7 7 ARG HA H 7 3.828 3.828 4.063 -0.235 19654 26 1 1 . 1 1 7 7 ARG CA C 7 59.619 59.619 58.403 1.216 19654 27 1 1 . 1 1 7 7 ARG CB C 7 29.720 29.720 29.196 0.524 19654 28 1 1 . 1 1 7 7 ARG H H 7 8.452 8.452 8.501 -0.049 19654 29 1 1 . 1 1 8 8 GLN N N 8 119.421 119.421 119.702 -0.281 19654 30 1 1 . 1 1 8 8 GLN HA H 8 3.944 3.944 4.055 -0.111 19654 31 1 1 . 1 1 8 8 GLN CA C 8 58.827 58.827 59.295 -0.469 19654 32 1 1 . 1 1 8 8 GLN CB C 8 28.918 28.918 28.707 0.211 19654 33 1 1 . 1 1 8 8 GLN H H 8 8.894 8.894 8.042 0.852 19654 34 1 1 . 1 1 9 9 SER N N 9 113.384 113.384 116.310 -2.926 19654 35 1 1 . 1 1 9 9 SER HA H 9 4.007 4.007 4.038 -0.031 19654 36 1 1 . 1 1 9 9 SER CA C 9 62.117 62.117 61.646 0.471 19654 37 1 1 . 1 1 9 9 SER CB C 9 63.544 63.544 63.287 0.257 19654 38 1 1 . 1 1 9 9 SER H H 9 8.018 8.018 7.981 0.037 19654 39 1 1 . 1 1 10 10 LEU N N 10 121.112 121.112 124.476 -3.364 19654 40 1 1 . 1 1 10 10 LEU HA H 10 4.130 4.130 4.107 0.023 19654 41 1 1 . 1 1 10 10 LEU CA C 10 57.022 57.022 57.727 -0.705 19654 42 1 1 . 1 1 10 10 LEU CB C 10 41.146 41.146 41.527 -0.381 19654 43 1 1 . 1 1 10 10 LEU H H 10 8.599 8.599 8.446 0.153 19654 44 1 1 . 1 1 11 11 GLU N N 11 120.653 120.653 119.671 0.982 19654 45 1 1 . 1 1 11 11 GLU HA H 11 3.914 3.914 4.005 -0.091 19654 46 1 1 . 1 1 11 11 GLU CA C 11 59.627 59.627 59.192 0.435 19654 47 1 1 . 1 1 11 11 GLU CB C 11 29.298 29.298 29.195 0.103 19654 48 1 1 . 1 1 11 11 GLU H H 11 7.806 7.806 8.089 -0.283 19654 49 1 1 . 1 1 12 12 ILE N N 12 117.297 117.297 119.769 -2.472 19654 50 1 1 . 1 1 12 12 ILE HA H 12 3.121 3.121 3.518 -0.397 19654 51 1 1 . 1 1 12 12 ILE CA C 12 65.774 65.774 65.765 0.009 19654 52 1 1 . 1 1 12 12 ILE CB C 12 39.143 39.143 37.643 1.500 19654 53 1 1 . 1 1 12 12 ILE H H 12 7.401 7.401 7.640 -0.239 19654 54 1 1 . 1 1 13 13 ILE N N 13 117.560 117.560 118.999 -1.439 19654 55 1 1 . 1 1 13 13 ILE HA H 13 3.302 3.302 3.586 -0.284 19654 56 1 1 . 1 1 13 13 ILE CA C 13 66.420 66.420 65.526 0.894 19654 57 1 1 . 1 1 13 13 ILE CB C 13 37.714 37.714 37.531 0.183 19654 58 1 1 . 1 1 13 13 ILE H H 13 8.378 8.378 8.118 0.260 19654 59 1 1 . 1 1 14 14 SER N N 14 113.892 113.892 115.976 -2.084 19654 60 1 1 . 1 1 14 14 SER HA H 14 3.889 3.889 4.041 -0.152 19654 61 1 1 . 1 1 14 14 SER CA C 14 62.310 62.310 62.185 0.125 19654 62 1 1 . 1 1 14 14 SER CB C 14 62.282 62.282 63.147 -0.865 19654 63 1 1 . 1 1 14 14 SER H H 14 9.048 9.048 8.409 0.639 19654 64 1 1 . 1 1 15 15 ARG N N 15 118.890 118.890 121.135 -2.245 19654 65 1 1 . 1 1 15 15 ARG HA H 15 4.033 4.033 3.971 0.062 19654 66 1 1 . 1 1 15 15 ARG CA C 15 59.496 59.496 59.591 -0.095 19654 67 1 1 . 1 1 15 15 ARG CB C 15 29.727 29.727 30.130 -0.403 19654 68 1 1 . 1 1 15 15 ARG H H 15 7.655 7.655 8.062 -0.407 19654 69 1 1 . 1 1 16 16 TYR N N 16 119.757 119.757 121.791 -2.034 19654 70 1 1 . 1 1 16 16 TYR HA H 16 4.146 4.146 4.416 -0.270 19654 71 1 1 . 1 1 16 16 TYR CA C 16 61.265 61.265 60.652 0.613 19654 72 1 1 . 1 1 16 16 TYR CB C 16 38.495 38.495 38.154 0.341 19654 73 1 1 . 1 1 16 16 TYR H H 16 8.351 8.351 7.933 0.418 19654 74 1 1 . 1 1 17 17 LEU N N 17 118.494 118.494 119.401 -0.907 19654 75 1 1 . 1 1 17 17 LEU HA H 17 3.375 3.375 3.713 -0.338 19654 76 1 1 . 1 1 17 17 LEU CA C 17 59.627 59.627 58.345 1.282 19654 77 1 1 . 1 1 17 17 LEU CB C 17 39.949 39.949 41.205 -1.256 19654 78 1 1 . 1 1 17 17 LEU H H 17 8.578 8.578 8.337 0.241 19654 79 1 1 . 1 1 18 18 ARG N N 18 115.962 115.962 118.701 -2.739 19654 80 1 1 . 1 1 18 18 ARG HA H 18 3.858 3.858 3.962 -0.104 19654 81 1 1 . 1 1 18 18 ARG CA C 18 60.233 60.233 58.497 1.736 19654 82 1 1 . 1 1 18 18 ARG CB C 18 29.993 29.993 29.493 0.500 19654 83 1 1 . 1 1 18 18 ARG H H 18 8.044 8.044 7.992 0.052 19654 84 1 1 . 1 1 19 19 GLU N N 19 120.998 120.998 120.994 0.004 19654 85 1 1 . 1 1 19 19 GLU HA H 19 4.153 4.153 4.097 0.056 19654 86 1 1 . 1 1 19 19 GLU CA C 19 58.857 58.857 59.490 -0.633 19654 87 1 1 . 1 1 19 19 GLU CB C 19 29.661 29.661 29.417 0.244 19654 88 1 1 . 1 1 19 19 GLU H H 19 8.268 8.268 8.655 -0.387 19654 89 1 1 . 1 1 20 20 GLN N N 20 119.903 119.903 117.660 2.243 19654 90 1 1 . 1 1 20 20 GLN HA H 20 3.715 3.715 3.989 -0.274 19654 91 1 1 . 1 1 20 20 GLN CA C 20 58.008 58.008 58.177 -0.169 19654 92 1 1 . 1 1 20 20 GLN CB C 20 28.666 28.666 28.086 0.580 19654 93 1 1 . 1 1 20 20 GLN H H 20 8.193 8.193 7.883 0.310 19654 94 1 1 . 1 1 21 21 ALA N N 21 117.771 117.771 120.152 -2.381 19654 95 1 1 . 1 1 21 21 ALA HA H 21 3.985 3.985 4.047 -0.062 19654 96 1 1 . 1 1 21 21 ALA CA C 21 54.397 54.397 54.631 -0.234 19654 97 1 1 . 1 1 21 21 ALA CB C 21 20.022 20.022 18.719 1.303 19654 98 1 1 . 1 1 21 21 ALA H H 21 7.883 7.883 7.928 -0.045 19654 99 1 1 . 1 1 22 22 THR N N 22 103.721 103.721 108.545 -4.824 19654 100 1 1 . 1 1 22 22 THR HA H 22 4.279 4.279 4.243 0.036 19654 101 1 1 . 1 1 22 22 THR CA C 22 62.357 62.357 62.151 0.206 19654 102 1 1 . 1 1 22 22 THR CB C 22 71.071 71.071 69.785 1.286 19654 103 1 1 . 1 1 22 22 THR H H 22 8.024 8.024 7.834 0.190 19654 104 1 1 . 1 1 23 23 GLY N N 23 111.610 111.610 110.648 0.962 19654 105 1 1 . 1 1 23 23 GLY CA C 23 45.574 45.574 45.054 0.520 19654 106 1 1 . 1 1 23 23 GLY H H 23 8.155 8.155 7.865 0.290 19654 107 1 1 . 1 1 24 24 ALA N N 24 123.004 123.004 120.035 2.969 19654 108 1 1 . 1 1 24 24 ALA HA H 24 4.526 4.526 4.668 -0.142 19654 109 1 1 . 1 1 24 24 ALA CA C 24 50.763 50.763 51.173 -0.410 19654 110 1 1 . 1 1 24 24 ALA CB C 24 20.186 20.186 21.352 -1.165 19654 111 1 1 . 1 1 24 24 ALA H H 24 7.763 7.763 7.717 0.046 19654 112 1 1 . 1 1 25 25 LYS N N 25 121.392 121.392 119.039 2.353 19654 113 1 1 . 1 1 25 25 LYS HA H 25 4.181 4.181 4.731 -0.550 19654 114 1 1 . 1 1 25 25 LYS CA C 25 55.729 55.729 54.670 1.058 19654 115 1 1 . 1 1 25 25 LYS CB C 25 33.175 33.175 33.017 0.158 19654 116 1 1 . 1 1 25 25 LYS H H 25 8.349 8.349 8.155 0.194 19654 117 1 1 . 1 1 26 26 ASP N N 26 124.433 124.433 120.833 3.600 19654 118 1 1 . 1 1 26 26 ASP HA H 26 4.618 4.618 4.712 -0.094 19654 119 1 1 . 1 1 26 26 ASP CA C 26 53.735 53.735 53.392 0.343 19654 120 1 1 . 1 1 26 26 ASP CB C 26 41.402 41.402 42.215 -0.813 19654 121 1 1 . 1 1 26 26 ASP H H 26 8.803 8.803 8.653 0.150 19654 122 1 1 . 1 1 27 27 THR N N 27 116.332 116.332 114.255 2.077 19654 123 1 1 . 1 1 27 27 THR HA H 27 4.249 4.249 4.380 -0.131 19654 124 1 1 . 1 1 27 27 THR CA C 27 61.268 61.268 61.197 0.071 19654 125 1 1 . 1 1 27 27 THR CB C 27 68.993 68.993 69.551 -0.558 19654 126 1 1 . 1 1 27 27 THR H H 27 8.363 8.363 8.274 0.089 19654 127 1 1 . 1 1 28 28 LYS N N 28 125.551 125.551 123.243 2.308 19654 128 1 1 . 1 1 28 28 LYS HA H 28 4.437 4.437 4.236 0.201 19654 129 1 1 . 1 1 28 28 LYS CA C 28 55.188 55.188 55.862 -0.674 19654 130 1 1 . 1 1 28 28 LYS CB C 28 31.409 31.409 32.276 -0.867 19654 131 1 1 . 1 1 28 28 LYS H H 28 8.346 8.346 7.954 0.392 19654 132 1 1 . 1 1 29 29 PRO HA H 29 4.392 4.392 4.368 0.024 19654 133 1 1 . 1 1 29 29 PRO CA C 29 63.164 63.164 62.649 0.515 19654 134 1 1 . 1 1 29 29 PRO CB C 29 31.904 31.904 32.323 -0.419 19654 135 1 1 . 1 1 30 30 MET N N 30 121.136 121.136 118.160 2.976 19654 136 1 1 . 1 1 30 30 MET HA H 30 4.381 4.381 4.603 -0.222 19654 137 1 1 . 1 1 30 30 MET CA C 30 55.229 55.229 53.519 1.710 19654 138 1 1 . 1 1 30 30 MET CB C 30 33.819 33.819 33.095 0.724 19654 139 1 1 . 1 1 30 30 MET H H 30 8.585 8.585 8.214 0.371 19654 140 1 1 . 1 1 31 31 GLY N N 31 109.849 109.849 108.359 1.490 19654 141 1 1 . 1 1 31 31 GLY CA C 31 44.983 44.983 44.943 0.040 19654 142 1 1 . 1 1 31 31 GLY H H 31 8.930 8.930 8.469 0.461 19654 143 1 1 . 1 1 32 32 ARG N N 32 121.001 121.001 123.466 -2.465 19654 144 1 1 . 1 1 32 32 ARG HA H 32 4.239 4.239 3.796 0.443 19654 145 1 1 . 1 1 32 32 ARG CA C 32 56.755 56.755 58.092 -1.337 19654 146 1 1 . 1 1 32 32 ARG CB C 32 30.110 30.110 29.140 0.970 19654 147 1 1 . 1 1 32 32 ARG H H 32 8.447 8.447 8.660 -0.213 19654 148 1 1 . 1 1 33 33 SER N N 33 119.991 119.991 117.373 2.618 19654 149 1 1 . 1 1 33 33 SER HA H 33 4.386 4.386 4.565 -0.179 19654 150 1 1 . 1 1 33 33 SER CA C 33 58.502 58.502 58.245 0.257 19654 151 1 1 . 1 1 33 33 SER CB C 33 62.609 62.609 63.362 -0.753 19654 152 1 1 . 1 1 33 33 SER H H 33 8.667 8.667 8.210 0.457 19654 153 1 1 . 1 1 34 34 GLY N N 34 108.582 108.582 115.108 -6.526 19654 154 1 1 . 1 1 34 34 GLY CA C 34 46.637 46.637 47.468 -0.831 19654 155 1 1 . 1 1 34 34 GLY H H 34 8.216 8.216 8.799 -0.583 19654 156 1 1 . 1 1 35 35 ALA N N 35 123.445 123.445 123.756 -0.311 19654 157 1 1 . 1 1 35 35 ALA HA H 35 4.193 4.193 4.269 -0.076 19654 158 1 1 . 1 1 35 35 ALA CA C 35 54.770 54.770 55.031 -0.261 19654 159 1 1 . 1 1 35 35 ALA CB C 35 18.437 18.437 18.479 -0.042 19654 160 1 1 . 1 1 35 35 ALA H H 35 8.506 8.506 8.334 0.172 19654 161 1 1 . 1 1 36 36 THR N N 36 115.716 115.716 116.338 -0.622 19654 162 1 1 . 1 1 36 36 THR HA H 36 3.919 3.919 3.940 -0.021 19654 163 1 1 . 1 1 36 36 THR CA C 36 67.249 67.249 67.050 0.199 19654 164 1 1 . 1 1 36 36 THR CB C 36 68.225 68.225 68.705 -0.480 19654 165 1 1 . 1 1 36 36 THR H H 36 8.262 8.262 8.238 0.024 19654 166 1 1 . 1 1 37 37 SER N N 37 117.911 117.911 116.573 1.338 19654 167 1 1 . 1 1 37 37 SER HA H 37 3.869 3.869 3.994 -0.125 19654 168 1 1 . 1 1 37 37 SER CA C 37 62.333 62.333 61.539 0.794 19654 169 1 1 . 1 1 37 37 SER CB C 37 62.333 62.333 62.921 -0.588 19654 170 1 1 . 1 1 37 37 SER H H 37 8.389 8.389 7.939 0.450 19654 171 1 1 . 1 1 38 38 ARG N N 38 120.924 120.924 122.500 -1.576 19654 172 1 1 . 1 1 38 38 ARG HA H 38 3.901 3.901 4.030 -0.129 19654 173 1 1 . 1 1 38 38 ARG CA C 38 59.923 59.923 58.959 0.964 19654 174 1 1 . 1 1 38 38 ARG CB C 38 29.759 29.759 30.050 -0.291 19654 175 1 1 . 1 1 38 38 ARG H H 38 8.278 8.278 7.447 0.831 19654 176 1 1 . 1 1 39 39 LYS N N 39 119.172 119.172 118.659 0.513 19654 177 1 1 . 1 1 39 39 LYS HA H 39 4.151 4.151 4.047 0.104 19654 178 1 1 . 1 1 39 39 LYS CA C 39 59.086 59.086 59.415 -0.329 19654 179 1 1 . 1 1 39 39 LYS CB C 39 32.807 32.807 31.878 0.929 19654 180 1 1 . 1 1 39 39 LYS H H 39 7.930 7.930 8.371 -0.441 19654 181 1 1 . 1 1 40 40 ALA N N 40 125.586 125.586 123.465 2.121 19654 182 1 1 . 1 1 40 40 ALA HA H 40 4.175 4.175 4.268 -0.093 19654 183 1 1 . 1 1 40 40 ALA CA C 40 55.633 55.633 55.024 0.609 19654 184 1 1 . 1 1 40 40 ALA CB C 40 18.675 18.675 18.314 0.361 19654 185 1 1 . 1 1 40 40 ALA H H 40 9.192 9.192 8.171 1.021 19654 186 1 1 . 1 1 41 41 LEU N N 41 120.080 120.080 120.436 -0.356 19654 187 1 1 . 1 1 41 41 LEU HA H 41 3.930 3.930 3.848 0.082 19654 188 1 1 . 1 1 41 41 LEU CA C 41 58.169 58.169 58.149 0.020 19654 189 1 1 . 1 1 41 41 LEU CB C 41 41.683 41.683 41.684 -0.001 19654 190 1 1 . 1 1 41 41 LEU H H 41 8.209 8.209 7.910 0.299 19654 191 1 1 . 1 1 42 42 GLU N N 42 117.875 117.875 116.915 0.960 19654 192 1 1 . 1 1 42 42 GLU HA H 42 3.977 3.977 3.957 0.020 19654 193 1 1 . 1 1 42 42 GLU CA C 42 59.335 59.335 59.348 -0.013 19654 194 1 1 . 1 1 42 42 GLU CB C 42 29.176 29.176 28.906 0.270 19654 195 1 1 . 1 1 42 42 GLU H H 42 8.197 8.197 8.263 -0.066 19654 196 1 1 . 1 1 43 43 THR N N 43 116.912 116.912 118.077 -1.165 19654 197 1 1 . 1 1 43 43 THR HA H 43 3.793 3.793 3.966 -0.173 19654 198 1 1 . 1 1 43 43 THR CA C 43 67.517 67.517 66.861 0.656 19654 199 1 1 . 1 1 43 43 THR CB C 43 68.089 68.089 68.376 -0.287 19654 200 1 1 . 1 1 43 43 THR H H 43 8.183 8.183 7.747 0.436 19654 201 1 1 . 1 1 44 44 LEU N N 44 123.099 123.099 121.482 1.617 19654 202 1 1 . 1 1 44 44 LEU HA H 44 3.699 3.699 3.881 -0.182 19654 203 1 1 . 1 1 44 44 LEU CA C 44 58.261 58.261 58.115 0.146 19654 204 1 1 . 1 1 44 44 LEU CB C 44 40.988 40.988 41.443 -0.455 19654 205 1 1 . 1 1 44 44 LEU H H 44 8.509 8.509 8.576 -0.067 19654 206 1 1 . 1 1 45 45 ARG N N 45 116.885 116.885 117.823 -0.938 19654 207 1 1 . 1 1 45 45 ARG HA H 45 4.125 4.125 3.884 0.241 19654 208 1 1 . 1 1 45 45 ARG CA C 45 59.617 59.617 59.178 0.439 19654 209 1 1 . 1 1 45 45 ARG CB C 45 30.423 30.423 29.680 0.743 19654 210 1 1 . 1 1 45 45 ARG H H 45 8.398 8.398 8.338 0.060 19654 211 1 1 . 1 1 46 46 ARG N N 46 117.297 117.297 120.042 -2.745 19654 212 1 1 . 1 1 46 46 ARG HA H 46 4.229 4.229 4.203 0.026 19654 213 1 1 . 1 1 46 46 ARG CA C 46 58.427 58.427 58.976 -0.549 19654 214 1 1 . 1 1 46 46 ARG CB C 46 30.408 30.408 30.143 0.265 19654 215 1 1 . 1 1 46 46 ARG H H 46 7.421 7.421 7.834 -0.413 19654 216 1 1 . 1 1 47 47 VAL N N 47 114.304 114.304 114.918 -0.614 19654 217 1 1 . 1 1 47 47 VAL HA H 47 4.094 4.094 4.211 -0.117 19654 218 1 1 . 1 1 47 47 VAL CA C 47 63.242 63.242 64.534 -1.292 19654 219 1 1 . 1 1 47 47 VAL CB C 47 32.378 32.378 31.814 0.564 19654 220 1 1 . 1 1 47 47 VAL H H 47 8.515 8.515 7.928 0.587 19654 221 1 1 . 1 1 48 48 GLY N N 48 110.132 110.132 109.279 0.853 19654 222 1 1 . 1 1 48 48 GLY CA C 48 46.588 46.588 47.558 -0.970 19654 223 1 1 . 1 1 48 48 GLY H H 48 8.890 8.890 8.587 0.303 19654 224 1 1 . 1 1 49 49 ASP N N 49 121.292 121.292 122.738 -1.446 19654 225 1 1 . 1 1 49 49 ASP HA H 49 4.456 4.456 4.476 -0.020 19654 226 1 1 . 1 1 49 49 ASP CA C 49 57.787 57.787 57.889 -0.102 19654 227 1 1 . 1 1 49 49 ASP CB C 49 40.912 40.912 40.839 0.073 19654 228 1 1 . 1 1 49 49 ASP H H 49 7.392 7.392 8.112 -0.720 19654 229 1 1 . 1 1 50 50 GLY N N 50 106.682 106.682 108.005 -1.323 19654 230 1 1 . 1 1 50 50 GLY CA C 50 46.932 46.932 47.389 -0.457 19654 231 1 1 . 1 1 50 50 GLY H H 50 8.132 8.132 7.629 0.503 19654 232 1 1 . 1 1 51 51 VAL N N 51 121.747 121.747 122.894 -1.147 19654 233 1 1 . 1 1 51 51 VAL HA H 51 3.944 3.944 3.757 0.187 19654 234 1 1 . 1 1 51 51 VAL CA C 51 66.355 66.355 66.655 -0.300 19654 235 1 1 . 1 1 51 51 VAL CB C 51 31.594 31.594 31.592 0.002 19654 236 1 1 . 1 1 51 51 VAL H H 51 7.476 7.476 8.151 -0.675 19654 237 1 1 . 1 1 52 52 GLN N N 52 118.494 118.494 118.874 -0.380 19654 238 1 1 . 1 1 52 52 GLN HA H 52 3.913 3.913 4.035 -0.122 19654 239 1 1 . 1 1 52 52 GLN CA C 52 60.391 60.391 59.356 1.035 19654 240 1 1 . 1 1 52 52 GLN CB C 52 29.682 29.682 28.703 0.979 19654 241 1 1 . 1 1 52 52 GLN H H 52 8.439 8.439 8.406 0.033 19654 242 1 1 . 1 1 53 53 ARG N N 53 116.807 116.807 119.431 -2.624 19654 243 1 1 . 1 1 53 53 ARG HA H 53 4.163 4.163 4.100 0.063 19654 244 1 1 . 1 1 53 53 ARG CA C 53 59.086 59.086 58.731 0.355 19654 245 1 1 . 1 1 53 53 ARG CB C 53 30.009 30.009 29.642 0.367 19654 246 1 1 . 1 1 53 53 ARG H H 53 7.873 7.873 8.298 -0.425 19654 247 1 1 . 1 1 54 54 ASN N N 54 116.356 116.356 116.203 0.153 19654 248 1 1 . 1 1 54 54 ASN HA H 54 4.448 4.448 4.570 -0.122 19654 249 1 1 . 1 1 54 54 ASN CA C 54 54.694 54.694 55.346 -0.652 19654 250 1 1 . 1 1 54 54 ASN CB C 54 38.302 38.302 38.782 -0.480 19654 251 1 1 . 1 1 54 54 ASN H H 54 8.123 8.123 7.946 0.177 19654 252 1 1 . 1 1 55 55 HIS N N 55 114.809 114.809 117.790 -2.981 19654 253 1 1 . 1 1 55 55 HIS HA H 55 4.504 4.504 4.356 0.148 19654 254 1 1 . 1 1 55 55 HIS CA C 55 55.949 55.949 57.706 -1.757 19654 255 1 1 . 1 1 55 55 HIS CB C 55 28.341 28.341 30.475 -2.134 19654 256 1 1 . 1 1 55 55 HIS H H 55 7.558 7.558 8.199 -0.641 19654 257 1 1 . 1 1 56 56 GLU N N 56 121.943 121.943 120.976 0.967 19654 258 1 1 . 1 1 56 56 GLU HA H 56 3.640 3.640 3.683 -0.043 19654 259 1 1 . 1 1 56 56 GLU CA C 56 61.360 61.360 60.572 0.789 19654 260 1 1 . 1 1 56 56 GLU CB C 56 30.006 30.006 29.401 0.605 19654 261 1 1 . 1 1 56 56 GLU H H 56 7.071 7.071 8.344 -1.273 19654 262 1 1 . 1 1 57 57 THR N N 57 112.827 112.827 113.007 -0.180 19654 263 1 1 . 1 1 57 57 THR HA H 57 3.984 3.984 4.104 -0.120 19654 264 1 1 . 1 1 57 57 THR CA C 57 66.247 66.247 64.891 1.356 19654 265 1 1 . 1 1 57 57 THR CB C 57 68.002 68.002 68.592 -0.590 19654 266 1 1 . 1 1 57 57 THR H H 57 8.324 8.324 8.287 0.037 19654 267 1 1 . 1 1 58 58 ALA N N 58 126.520 126.520 123.579 2.941 19654 268 1 1 . 1 1 58 58 ALA HA H 58 4.147 4.147 4.152 -0.005 19654 269 1 1 . 1 1 58 58 ALA CA C 58 54.707 54.707 54.398 0.309 19654 270 1 1 . 1 1 58 58 ALA CB C 58 17.734 17.734 18.288 -0.554 19654 271 1 1 . 1 1 58 58 ALA H H 58 7.910 7.910 7.428 0.482 19654 272 1 1 . 1 1 59 59 PHE N N 59 119.326 119.326 118.261 1.065 19654 273 1 1 . 1 1 59 59 PHE HA H 59 4.518 4.518 4.065 0.453 19654 274 1 1 . 1 1 59 59 PHE CA C 59 56.946 56.946 59.452 -2.506 19654 275 1 1 . 1 1 59 59 PHE CB C 59 34.583 34.583 37.733 -3.150 19654 276 1 1 . 1 1 59 59 PHE H H 59 9.017 9.017 8.258 0.759 19654 277 1 1 . 1 1 60 60 GLN N N 60 119.670 119.670 117.380 2.290 19654 278 1 1 . 1 1 60 60 GLN HA H 60 4.232 4.232 4.198 0.034 19654 279 1 1 . 1 1 60 60 GLN CA C 60 59.359 59.359 59.140 0.219 19654 280 1 1 . 1 1 60 60 GLN CB C 60 28.009 28.009 27.816 0.193 19654 281 1 1 . 1 1 60 60 GLN H H 60 8.678 8.678 8.627 0.051 19654 282 1 1 . 1 1 61 61 GLY N N 61 106.140 106.140 106.694 -0.554 19654 283 1 1 . 1 1 61 61 GLY CA C 61 47.085 47.085 46.943 0.142 19654 284 1 1 . 1 1 61 61 GLY H H 61 7.975 7.975 7.812 0.163 19654 285 1 1 . 1 1 62 62 MET N N 62 120.973 120.973 119.324 1.649 19654 286 1 1 . 1 1 62 62 MET HA H 62 4.080 4.080 4.506 -0.426 19654 287 1 1 . 1 1 62 62 MET CA C 62 58.752 58.752 57.538 1.214 19654 288 1 1 . 1 1 62 62 MET CB C 62 33.824 33.824 33.324 0.500 19654 289 1 1 . 1 1 62 62 MET H H 62 8.007 8.007 7.689 0.318 19654 290 1 1 . 1 1 63 63 LEU N N 63 119.043 119.043 121.494 -2.451 19654 291 1 1 . 1 1 63 63 LEU HA H 63 4.139 4.139 4.030 0.108 19654 292 1 1 . 1 1 63 63 LEU CA C 63 57.645 57.645 58.486 -0.841 19654 293 1 1 . 1 1 63 63 LEU CB C 63 42.173 42.173 41.752 0.421 19654 294 1 1 . 1 1 63 63 LEU H H 63 8.394 8.394 8.890 -0.496 19654 295 1 1 . 1 1 64 64 ARG N N 64 117.294 117.294 118.758 -1.464 19654 296 1 1 . 1 1 64 64 ARG HA H 64 4.090 4.090 4.023 0.067 19654 297 1 1 . 1 1 64 64 ARG CA C 64 58.551 58.551 58.946 -0.395 19654 298 1 1 . 1 1 64 64 ARG CB C 64 29.772 29.772 29.804 -0.032 19654 299 1 1 . 1 1 64 64 ARG H H 64 7.912 7.912 8.157 -0.245 19654 300 1 1 . 1 1 65 65 LYS N N 65 116.840 116.840 117.843 -1.003 19654 301 1 1 . 1 1 65 65 LYS HA H 65 4.165 4.165 4.336 -0.171 19654 302 1 1 . 1 1 65 65 LYS CA C 65 57.175 57.175 57.148 0.028 19654 303 1 1 . 1 1 65 65 LYS CB C 65 32.299 32.299 32.601 -0.302 19654 304 1 1 . 1 1 65 65 LYS H H 65 7.506 7.506 7.733 -0.227 19654 305 1 1 . 1 1 66 66 LEU N N 66 119.257 119.257 120.983 -1.726 19654 306 1 1 . 1 1 66 66 LEU HA H 66 4.232 4.232 4.249 -0.017 19654 307 1 1 . 1 1 66 66 LEU CA C 66 55.442 55.442 56.091 -0.649 19654 308 1 1 . 1 1 66 66 LEU CB C 66 43.042 43.042 42.640 0.402 19654 309 1 1 . 1 1 66 66 LEU H H 66 7.736 7.736 7.702 0.034 19654 310 1 1 . 1 1 67 67 ASP N N 67 119.743 119.743 117.859 1.884 19654 311 1 1 . 1 1 67 67 ASP HA H 67 4.457 4.457 4.308 0.149 19654 312 1 1 . 1 1 67 67 ASP CA C 67 53.850 53.850 54.669 -0.819 19654 313 1 1 . 1 1 67 67 ASP CB C 67 40.195 40.195 40.844 -0.649 19654 314 1 1 . 1 1 67 67 ASP H H 67 8.068 8.068 7.834 0.234 19654 315 1 1 . 1 1 68 68 ILE N N 68 120.055 120.055 122.346 -2.291 19654 316 1 1 . 1 1 68 68 ILE HA H 68 3.870 3.870 4.088 -0.218 19654 317 1 1 . 1 1 68 68 ILE CA C 68 61.524 61.524 61.251 0.273 19654 318 1 1 . 1 1 68 68 ILE CB C 68 37.986 37.986 37.166 0.820 19654 319 1 1 . 1 1 68 68 ILE H H 68 8.275 8.275 8.609 -0.334 19654 320 1 1 . 1 1 69 69 LYS N N 69 126.186 126.186 126.489 -0.303 19654 321 1 1 . 1 1 69 69 LYS HA H 69 4.481 4.481 4.411 0.070 19654 322 1 1 . 1 1 69 69 LYS CA C 69 56.304 56.304 55.897 0.407 19654 323 1 1 . 1 1 69 69 LYS CB C 69 34.136 34.136 33.421 0.715 19654 324 1 1 . 1 1 69 69 LYS H H 69 9.722 9.722 8.952 0.770 19654 325 1 1 . 1 1 70 70 ASN N N 70 115.056 115.056 115.600 -0.544 19654 326 1 1 . 1 1 70 70 ASN HA H 70 4.700 4.700 4.786 -0.086 19654 327 1 1 . 1 1 70 70 ASN CA C 70 51.977 51.977 52.027 -0.050 19654 328 1 1 . 1 1 70 70 ASN CB C 70 39.474 39.474 39.620 -0.146 19654 329 1 1 . 1 1 70 70 ASN H H 70 7.959 7.959 8.251 -0.292 19654 330 1 1 . 1 1 71 71 GLU N N 71 118.214 118.214 120.999 -2.785 19654 331 1 1 . 1 1 71 71 GLU HA H 71 3.967 3.967 3.873 0.094 19654 332 1 1 . 1 1 71 71 GLU CA C 71 59.354 59.354 60.090 -0.736 19654 333 1 1 . 1 1 71 71 GLU CB C 71 29.520 29.520 29.645 -0.125 19654 334 1 1 . 1 1 71 71 GLU H H 71 8.831 8.831 8.917 -0.086 19654 335 1 1 . 1 1 72 72 ASP N N 72 120.319 120.319 117.711 2.608 19654 336 1 1 . 1 1 72 72 ASP HA H 72 4.422 4.422 4.352 0.070 19654 337 1 1 . 1 1 72 72 ASP CA C 72 57.036 57.036 57.270 -0.234 19654 338 1 1 . 1 1 72 72 ASP CB C 72 39.945 39.945 40.585 -0.640 19654 339 1 1 . 1 1 72 72 ASP H H 72 8.167 8.167 8.190 -0.023 19654 340 1 1 . 1 1 73 73 ASP N N 73 119.793 119.793 118.865 0.928 19654 341 1 1 . 1 1 73 73 ASP HA H 73 4.521 4.521 4.444 0.077 19654 342 1 1 . 1 1 73 73 ASP CA C 73 56.337 56.337 57.033 -0.696 19654 343 1 1 . 1 1 73 73 ASP CB C 73 41.927 41.927 40.600 1.327 19654 344 1 1 . 1 1 73 73 ASP H H 73 8.153 8.153 7.864 0.289 19654 345 1 1 . 1 1 74 74 VAL N N 74 117.572 117.572 120.695 -3.123 19654 346 1 1 . 1 1 74 74 VAL HA H 74 3.714 3.714 3.618 0.096 19654 347 1 1 . 1 1 74 74 VAL CA C 74 65.498 65.498 66.525 -1.027 19654 348 1 1 . 1 1 74 74 VAL CB C 74 31.077 31.077 31.510 -0.433 19654 349 1 1 . 1 1 74 74 VAL H H 74 7.629 7.629 7.376 0.253 19654 350 1 1 . 1 1 75 75 LYS N N 75 119.403 119.403 119.287 0.116 19654 351 1 1 . 1 1 75 75 LYS HA H 75 4.154 4.154 3.976 0.178 19654 352 1 1 . 1 1 75 75 LYS CA C 75 59.034 59.034 59.823 -0.789 19654 353 1 1 . 1 1 75 75 LYS CB C 75 31.909 31.909 32.091 -0.182 19654 354 1 1 . 1 1 75 75 LYS H H 75 7.961 7.961 8.197 -0.236 19654 355 1 1 . 1 1 76 76 SER N N 76 114.355 114.355 116.182 -1.827 19654 356 1 1 . 1 1 76 76 SER HA H 76 4.453 4.453 4.270 0.183 19654 357 1 1 . 1 1 76 76 SER CA C 76 60.061 60.061 61.573 -1.512 19654 358 1 1 . 1 1 76 76 SER CB C 76 63.023 63.023 63.225 -0.202 19654 359 1 1 . 1 1 76 76 SER H H 76 7.919 7.919 7.592 0.327 19654 360 1 1 . 1 1 77 77 LEU N N 77 121.954 121.954 122.126 -0.172 19654 361 1 1 . 1 1 77 77 LEU HA H 77 4.230 4.230 3.962 0.268 19654 362 1 1 . 1 1 77 77 LEU CA C 77 56.764 56.764 57.689 -0.925 19654 363 1 1 . 1 1 77 77 LEU CB C 77 41.695 41.695 41.471 0.223 19654 364 1 1 . 1 1 77 77 LEU H H 77 7.883 7.883 8.117 -0.234 19654 365 1 1 . 1 1 78 78 SER N N 78 115.268 115.268 114.144 1.124 19654 366 1 1 . 1 1 78 78 SER HA H 78 3.962 3.962 4.055 -0.093 19654 367 1 1 . 1 1 78 78 SER CA C 78 62.337 62.337 62.000 0.337 19654 368 1 1 . 1 1 78 78 SER CB C 78 62.218 62.218 63.061 -0.843 19654 369 1 1 . 1 1 78 78 SER H H 78 8.185 8.185 8.107 0.078 19654 370 1 1 . 1 1 79 79 ARG N N 79 119.021 119.021 120.133 -1.112 19654 371 1 1 . 1 1 79 79 ARG HA H 79 4.090 4.090 4.122 -0.032 19654 372 1 1 . 1 1 79 79 ARG CA C 79 58.849 58.849 58.519 0.330 19654 373 1 1 . 1 1 79 79 ARG CB C 79 29.930 29.930 29.756 0.174 19654 374 1 1 . 1 1 79 79 ARG H H 79 7.684 7.684 7.620 0.064 19654 375 1 1 . 1 1 80 80 VAL N N 80 116.979 116.979 121.030 -4.051 19654 376 1 1 . 1 1 80 80 VAL HA H 80 3.953 3.953 3.728 0.225 19654 377 1 1 . 1 1 80 80 VAL CA C 80 64.228 64.228 66.458 -2.230 19654 378 1 1 . 1 1 80 80 VAL CB C 80 32.210 32.210 31.669 0.541 19654 379 1 1 . 1 1 80 80 VAL H H 80 7.479 7.479 7.301 0.178 19654 380 1 1 . 1 1 81 81 MET N N 81 117.822 117.822 118.207 -0.385 19654 381 1 1 . 1 1 81 81 MET HA H 81 4.053 4.053 4.059 -0.006 19654 382 1 1 . 1 1 81 81 MET CA C 81 58.322 58.322 57.594 0.728 19654 383 1 1 . 1 1 81 81 MET CB C 81 32.555 32.555 31.472 1.083 19654 384 1 1 . 1 1 81 81 MET H H 81 8.104 8.104 8.326 -0.222 19654 385 1 1 . 1 1 82 82 ILE N N 82 116.348 116.348 118.447 -2.099 19654 386 1 1 . 1 1 82 82 ILE HA H 82 3.815 3.815 3.717 0.098 19654 387 1 1 . 1 1 82 82 ILE CA C 82 63.653 63.653 64.962 -1.309 19654 388 1 1 . 1 1 82 82 ILE CB C 82 37.879 37.879 37.463 0.416 19654 389 1 1 . 1 1 82 82 ILE H H 82 7.789 7.789 7.990 -0.201 19654 390 1 1 . 1 1 83 83 HIS N N 83 118.994 118.994 118.475 0.519 19654 391 1 1 . 1 1 83 83 HIS HA H 83 4.409 4.409 4.358 0.051 19654 392 1 1 . 1 1 83 83 HIS CA C 83 58.245 58.245 59.541 -1.296 19654 393 1 1 . 1 1 83 83 HIS CB C 83 29.735 29.735 29.495 0.240 19654 394 1 1 . 1 1 83 83 HIS H H 83 7.543 7.543 7.571 -0.028 19654 395 1 1 . 1 1 84 84 VAL N N 84 117.112 117.112 119.334 -2.222 19654 396 1 1 . 1 1 84 84 VAL HA H 84 3.631 3.631 3.666 -0.035 19654 397 1 1 . 1 1 84 84 VAL CA C 84 64.628 64.628 65.163 -0.535 19654 398 1 1 . 1 1 84 84 VAL CB C 84 31.904 31.904 30.199 1.705 19654 399 1 1 . 1 1 84 84 VAL H H 84 7.713 7.713 7.828 -0.115 19654 400 1 1 . 1 1 85 85 PHE N N 85 115.531 115.531 114.917 0.614 19654 401 1 1 . 1 1 85 85 PHE HA H 85 4.733 4.733 4.726 0.007 19654 402 1 1 . 1 1 85 85 PHE CA C 85 57.326 57.326 56.693 0.633 19654 403 1 1 . 1 1 85 85 PHE CB C 85 39.507 39.507 39.067 0.440 19654 404 1 1 . 1 1 85 85 PHE H H 85 7.743 7.743 7.598 0.145 19654 405 1 1 . 1 1 86 86 SER N N 86 114.812 114.812 116.617 -1.805 19654 406 1 1 . 1 1 86 86 SER HA H 86 4.275 4.275 4.291 -0.016 19654 407 1 1 . 1 1 86 86 SER CA C 86 59.832 59.832 58.854 0.978 19654 408 1 1 . 1 1 86 86 SER CB C 86 63.482 63.482 62.538 0.944 19654 409 1 1 . 1 1 86 86 SER H H 86 7.634 7.634 7.812 -0.178 19654 410 1 1 . 1 1 87 87 ASP N N 87 120.986 120.986 120.097 0.889 19654 411 1 1 . 1 1 87 87 ASP HA H 87 4.491 4.491 4.566 -0.075 19654 412 1 1 . 1 1 87 87 ASP CA C 87 54.032 54.032 55.508 -1.476 19654 413 1 1 . 1 1 87 87 ASP CB C 87 40.411 40.411 40.858 -0.447 19654 414 1 1 . 1 1 87 87 ASP H H 87 8.043 8.043 8.134 -0.091 19654 415 1 1 . 1 1 88 88 GLY N N 88 108.171 108.171 107.991 0.180 19654 416 1 1 . 1 1 88 88 GLY CA C 88 44.981 44.981 45.664 -0.683 19654 417 1 1 . 1 1 88 88 GLY H H 88 8.163 8.163 7.893 0.270 19654 418 1 1 . 1 1 89 89 VAL N N 89 121.716 121.716 118.211 3.505 19654 419 1 1 . 1 1 89 89 VAL HA H 89 3.879 3.879 4.052 -0.173 19654 420 1 1 . 1 1 89 89 VAL CA C 89 62.471 62.471 61.693 0.778 19654 421 1 1 . 1 1 89 89 VAL CB C 89 32.418 32.418 32.352 0.066 19654 422 1 1 . 1 1 89 89 VAL H H 89 7.886 7.886 7.445 0.441 19654 423 1 1 . 1 1 90 90 THR N N 90 121.669 121.669 113.162 8.507 19654 424 1 1 . 1 1 90 90 THR HA H 90 3.657 3.657 3.748 -0.091 19654 425 1 1 . 1 1 90 90 THR CA C 90 62.473 62.473 62.779 -0.305 19654 426 1 1 . 1 1 90 90 THR CB C 90 68.528 68.528 68.957 -0.429 19654 427 1 1 . 1 1 90 90 THR H H 90 8.201 8.201 8.472 -0.271 19654 428 1 1 . 1 1 91 91 ASN HA H 91 4.162 4.162 4.433 -0.271 19654 429 1 1 . 1 1 91 91 ASN CA C 91 51.748 51.748 53.496 -1.748 19654 430 1 1 . 1 1 91 91 ASN CB C 91 39.645 39.645 37.410 2.235 19654 431 1 1 . 1 1 91 91 ASN H H 91 8.826 8.826 8.635 0.191 19654 432 1 1 . 1 1 92 92 TRP N N 92 118.437 118.437 122.157 -3.720 19654 433 1 1 . 1 1 92 92 TRP HA H 92 4.739 4.739 4.325 0.414 19654 434 1 1 . 1 1 92 92 TRP CA C 92 60.233 60.233 59.768 0.465 19654 435 1 1 . 1 1 92 92 TRP CB C 92 30.167 30.167 29.207 0.959 19654 436 1 1 . 1 1 92 92 TRP H H 92 8.942 8.942 8.404 0.538 19654 437 1 1 . 1 1 93 93 GLY N N 93 108.154 108.154 108.005 0.149 19654 438 1 1 . 1 1 93 93 GLY CA C 93 47.544 47.544 47.160 0.384 19654 439 1 1 . 1 1 93 93 GLY H H 93 8.697 8.697 8.946 -0.249 19654 440 1 1 . 1 1 94 94 ARG N N 94 122.547 122.547 120.966 1.581 19654 441 1 1 . 1 1 94 94 ARG HA H 94 4.072 4.072 4.190 -0.118 19654 442 1 1 . 1 1 94 94 ARG CA C 94 58.556 58.556 59.179 -0.623 19654 443 1 1 . 1 1 94 94 ARG CB C 94 30.201 30.201 30.163 0.038 19654 444 1 1 . 1 1 94 94 ARG H H 94 8.353 8.353 7.805 0.548 19654 445 1 1 . 1 1 95 95 ILE N N 95 120.130 120.130 120.240 -0.110 19654 446 1 1 . 1 1 95 95 ILE HA H 95 3.708 3.708 4.105 -0.397 19654 447 1 1 . 1 1 95 95 ILE CA C 95 65.511 65.511 64.242 1.269 19654 448 1 1 . 1 1 95 95 ILE CB C 95 37.486 37.486 36.896 0.590 19654 449 1 1 . 1 1 95 95 ILE H H 95 7.545 7.545 7.488 0.057 19654 450 1 1 . 1 1 96 96 VAL N N 96 119.403 119.403 120.085 -0.682 19654 451 1 1 . 1 1 96 96 VAL HA H 96 3.723 3.723 3.606 0.117 19654 452 1 1 . 1 1 96 96 VAL CA C 96 67.249 67.249 67.420 -0.171 19654 453 1 1 . 1 1 96 96 VAL CB C 96 31.001 31.001 31.236 -0.235 19654 454 1 1 . 1 1 96 96 VAL H H 96 8.990 8.990 7.952 1.038 19654 455 1 1 . 1 1 97 97 THR N N 97 122.016 122.016 116.762 5.254 19654 456 1 1 . 1 1 97 97 THR HA H 97 3.784 3.784 4.054 -0.270 19654 457 1 1 . 1 1 97 97 THR CA C 97 68.159 68.159 66.685 1.474 19654 458 1 1 . 1 1 97 97 THR CB C 97 67.212 67.212 68.646 -1.434 19654 459 1 1 . 1 1 97 97 THR H H 97 8.605 8.605 8.025 0.580 19654 460 1 1 . 1 1 98 98 LEU N N 98 122.476 122.476 124.161 -1.685 19654 461 1 1 . 1 1 98 98 LEU HA H 98 3.805 3.805 4.079 -0.274 19654 462 1 1 . 1 1 98 98 LEU CA C 98 58.818 58.818 58.331 0.487 19654 463 1 1 . 1 1 98 98 LEU CB C 98 41.158 41.158 41.894 -0.736 19654 464 1 1 . 1 1 98 98 LEU H H 98 7.769 7.769 8.243 -0.474 19654 465 1 1 . 1 1 99 99 ILE N N 99 117.997 117.997 118.017 -0.020 19654 466 1 1 . 1 1 99 99 ILE HA H 99 3.509 3.509 3.670 -0.161 19654 467 1 1 . 1 1 99 99 ILE CA C 99 66.261 66.261 65.632 0.629 19654 468 1 1 . 1 1 99 99 ILE CB C 99 38.350 38.350 37.466 0.884 19654 469 1 1 . 1 1 99 99 ILE H H 99 8.175 8.175 7.867 0.307 19654 470 1 1 . 1 1 100 100 SER N N 100 116.934 116.934 116.341 0.593 19654 471 1 1 . 1 1 100 100 SER HA H 100 4.447 4.447 4.482 -0.035 19654 472 1 1 . 1 1 100 100 SER CA C 100 63.290 63.290 62.305 0.985 19654 473 1 1 . 1 1 100 100 SER CB C 100 62.867 62.867 63.273 -0.406 19654 474 1 1 . 1 1 100 100 SER H H 100 8.989 8.989 8.667 0.322 19654 475 1 1 . 1 1 101 101 PHE N N 101 124.640 124.640 122.119 2.521 19654 476 1 1 . 1 1 101 101 PHE HA H 101 3.420 3.420 3.896 -0.476 19654 477 1 1 . 1 1 101 101 PHE CA C 101 60.499 60.499 59.331 1.167 19654 478 1 1 . 1 1 101 101 PHE CB C 101 37.333 37.333 38.476 -1.143 19654 479 1 1 . 1 1 101 101 PHE H H 101 8.513 8.513 8.376 0.137 19654 480 1 1 . 1 1 102 102 GLY N N 102 106.116 106.116 107.030 -0.914 19654 481 1 1 . 1 1 102 102 GLY CA C 102 48.166 48.166 47.040 1.126 19654 482 1 1 . 1 1 102 102 GLY H H 102 8.111 8.111 8.383 -0.272 19654 483 1 1 . 1 1 103 103 ALA N N 103 124.560 124.560 124.581 -0.021 19654 484 1 1 . 1 1 103 103 ALA HA H 103 3.780 3.780 3.876 -0.096 19654 485 1 1 . 1 1 103 103 ALA CA C 103 55.646 55.646 54.642 1.004 19654 486 1 1 . 1 1 103 103 ALA CB C 103 18.476 18.476 18.355 0.121 19654 487 1 1 . 1 1 103 103 ALA H H 103 8.437 8.437 8.117 0.320 19654 488 1 1 . 1 1 104 104 PHE N N 104 120.981 120.981 119.886 1.095 19654 489 1 1 . 1 1 104 104 PHE HA H 104 3.989 3.989 4.195 -0.206 19654 490 1 1 . 1 1 104 104 PHE CA C 104 62.258 62.258 61.433 0.825 19654 491 1 1 . 1 1 104 104 PHE CB C 104 39.949 39.949 39.495 0.454 19654 492 1 1 . 1 1 104 104 PHE H H 104 8.213 8.213 8.182 0.031 19654 493 1 1 . 1 1 105 105 VAL N N 105 120.473 120.473 119.157 1.316 19654 494 1 1 . 1 1 105 105 VAL HA H 105 3.236 3.236 3.479 -0.243 19654 495 1 1 . 1 1 105 105 VAL CA C 105 66.348 66.348 66.046 0.302 19654 496 1 1 . 1 1 105 105 VAL CB C 105 30.720 30.720 31.039 -0.319 19654 497 1 1 . 1 1 105 105 VAL H H 105 8.513 8.513 8.070 0.443 19654 498 1 1 . 1 1 106 106 ALA N N 106 123.948 123.948 123.583 0.365 19654 499 1 1 . 1 1 106 106 ALA HA H 106 3.660 3.660 3.843 -0.183 19654 500 1 1 . 1 1 106 106 ALA CA C 106 55.607 55.607 55.591 0.016 19654 501 1 1 . 1 1 106 106 ALA CB C 106 18.003 18.003 18.226 -0.223 19654 502 1 1 . 1 1 106 106 ALA H H 106 8.807 8.807 8.230 0.577 19654 503 1 1 . 1 1 107 107 LYS N N 107 115.836 115.836 117.253 -1.417 19654 504 1 1 . 1 1 107 107 LYS HA H 107 3.733 3.733 3.839 -0.106 19654 505 1 1 . 1 1 107 107 LYS CA C 107 60.462 60.462 59.366 1.096 19654 506 1 1 . 1 1 107 107 LYS CB C 107 31.907 31.907 31.759 0.148 19654 507 1 1 . 1 1 107 107 LYS H H 107 7.934 7.934 8.076 -0.142 19654 508 1 1 . 1 1 108 108 HIS N N 108 120.459 120.459 120.173 0.286 19654 509 1 1 . 1 1 108 108 HIS HA H 108 4.212 4.212 4.272 -0.060 19654 510 1 1 . 1 1 108 108 HIS CA C 108 59.623 59.623 59.458 0.165 19654 511 1 1 . 1 1 108 108 HIS CB C 108 29.838 29.838 29.649 0.189 19654 512 1 1 . 1 1 108 108 HIS H H 108 7.254 7.254 7.360 -0.106 19654 513 1 1 . 1 1 109 109 LEU N N 109 118.336 118.336 120.434 -2.098 19654 514 1 1 . 1 1 109 109 LEU HA H 109 3.640 3.640 3.789 -0.149 19654 515 1 1 . 1 1 109 109 LEU CA C 109 56.945 56.945 57.996 -1.051 19654 516 1 1 . 1 1 109 109 LEU CB C 109 39.709 39.709 41.679 -1.970 19654 517 1 1 . 1 1 109 109 LEU H H 109 8.709 8.709 8.270 0.439 19654 518 1 1 . 1 1 110 110 LYS N N 110 118.036 118.036 118.640 -0.604 19654 519 1 1 . 1 1 110 110 LYS HA H 110 3.944 3.944 3.934 0.010 19654 520 1 1 . 1 1 110 110 LYS CA C 110 58.967 58.967 59.551 -0.584 19654 521 1 1 . 1 1 110 110 LYS CB C 110 32.220 32.220 32.200 0.020 19654 522 1 1 . 1 1 110 110 LYS H H 110 7.752 7.752 8.071 -0.319 19654 523 1 1 . 1 1 111 111 THR N N 111 115.985 115.985 116.148 -0.163 19654 524 1 1 . 1 1 111 111 THR HA H 111 3.990 3.990 4.034 -0.044 19654 525 1 1 . 1 1 111 111 THR CA C 111 65.921 65.921 66.228 -0.307 19654 526 1 1 . 1 1 111 111 THR CB C 111 68.611 68.611 68.865 -0.254 19654 527 1 1 . 1 1 111 111 THR H H 111 7.832 7.832 7.761 0.071 19654 528 1 1 . 1 1 112 112 ILE N N 112 112.606 112.606 113.975 -1.369 19654 529 1 1 . 1 1 112 112 ILE HA H 112 4.454 4.454 4.348 0.106 19654 530 1 1 . 1 1 112 112 ILE CA C 112 60.922 60.922 60.725 0.197 19654 531 1 1 . 1 1 112 112 ILE CB C 112 36.813 36.813 37.342 -0.529 19654 532 1 1 . 1 1 112 112 ILE H H 112 7.262 7.262 7.381 -0.119 19654 533 1 1 . 1 1 113 113 ASN N N 113 116.297 116.297 115.387 0.910 19654 534 1 1 . 1 1 113 113 ASN HA H 113 4.576 4.576 4.393 0.183 19654 535 1 1 . 1 1 113 113 ASN CA C 113 54.653 54.653 55.134 -0.481 19654 536 1 1 . 1 1 113 113 ASN CB C 113 36.497 36.497 37.295 -0.798 19654 537 1 1 . 1 1 113 113 ASN H H 113 7.816 7.816 7.931 -0.115 19654 538 1 1 . 1 1 114 114 GLN N N 114 117.958 117.958 118.430 -0.472 19654 539 1 1 . 1 1 114 114 GLN HA H 114 4.739 4.739 4.385 0.354 19654 540 1 1 . 1 1 114 114 GLN CA C 114 54.079 54.079 54.977 -0.898 19654 541 1 1 . 1 1 114 114 GLN CB C 114 28.840 28.840 26.112 2.728 19654 542 1 1 . 1 1 114 114 GLN H H 114 8.522 8.522 8.412 0.110 19654 543 1 1 . 1 1 115 115 GLU N N 115 120.597 120.597 121.290 -0.693 19654 544 1 1 . 1 1 115 115 GLU HA H 115 3.646 3.646 3.931 -0.285 19654 545 1 1 . 1 1 115 115 GLU CA C 115 59.569 59.569 59.643 -0.074 19654 546 1 1 . 1 1 115 115 GLU CB C 115 29.061 29.061 29.392 -0.331 19654 547 1 1 . 1 1 115 115 GLU H H 115 8.881 8.881 7.779 1.102 19654 548 1 1 . 1 1 116 116 SER N N 116 115.352 115.352 112.923 2.429 19654 549 1 1 . 1 1 116 116 SER HA H 116 4.250 4.250 4.232 0.018 19654 550 1 1 . 1 1 116 116 SER CA C 116 60.593 60.593 60.794 -0.201 19654 551 1 1 . 1 1 116 116 SER CB C 116 62.231 62.231 62.999 -0.768 19654 552 1 1 . 1 1 116 116 SER H H 116 8.702 8.702 8.637 0.065 19654 553 1 1 . 1 1 117 117 SER N N 117 116.944 116.944 115.962 0.982 19654 554 1 1 . 1 1 117 117 SER HA H 117 4.461 4.461 4.332 0.129 19654 555 1 1 . 1 1 117 117 SER CA C 117 60.219 60.219 60.161 0.058 19654 556 1 1 . 1 1 117 117 SER CB C 117 64.116 64.116 63.572 0.544 19654 557 1 1 . 1 1 117 117 SER H H 117 7.963 7.963 7.517 0.446 19654 558 1 1 . 1 1 118 118 ILE N N 118 122.505 122.505 122.863 -0.358 19654 559 1 1 . 1 1 118 118 ILE HA H 118 3.419 3.419 3.550 -0.131 19654 560 1 1 . 1 1 118 118 ILE CA C 118 66.227 66.227 65.602 0.625 19654 561 1 1 . 1 1 118 118 ILE CB C 118 36.723 36.723 37.651 -0.928 19654 562 1 1 . 1 1 118 118 ILE H H 118 7.945 7.945 7.592 0.353 19654 563 1 1 . 1 1 119 119 GLU N N 119 119.604 119.604 119.268 0.336 19654 564 1 1 . 1 1 119 119 GLU HA H 119 4.244 4.244 4.125 0.119 19654 565 1 1 . 1 1 119 119 GLU CA C 119 61.540 61.540 61.291 0.249 19654 566 1 1 . 1 1 119 119 GLU CB C 119 26.092 26.092 27.694 -1.602 19654 567 1 1 . 1 1 119 119 GLU H H 119 8.244 8.244 8.040 0.204 19654 568 1 1 . 1 1 120 120 PRO HA H 120 4.446 4.446 4.509 -0.063 19654 569 1 1 . 1 1 120 120 PRO CA C 120 65.583 65.583 65.398 0.185 19654 570 1 1 . 1 1 120 120 PRO CB C 120 30.167 30.167 31.463 -1.296 19654 571 1 1 . 1 1 121 121 LEU N N 121 120.974 120.974 120.384 0.590 19654 572 1 1 . 1 1 121 121 LEU HA H 121 3.990 3.990 4.043 -0.053 19654 573 1 1 . 1 1 121 121 LEU CA C 121 58.436 58.436 57.647 0.789 19654 574 1 1 . 1 1 121 121 LEU CB C 121 40.988 40.988 41.665 -0.677 19654 575 1 1 . 1 1 121 121 LEU H H 121 7.587 7.587 7.805 -0.218 19654 576 1 1 . 1 1 122 122 ALA N N 122 121.982 121.982 121.267 0.715 19654 577 1 1 . 1 1 122 122 ALA HA H 122 3.743 3.743 3.880 -0.137 19654 578 1 1 . 1 1 122 122 ALA CA C 122 55.233 55.233 55.312 -0.079 19654 579 1 1 . 1 1 122 122 ALA CB C 122 17.687 17.687 18.047 -0.360 19654 580 1 1 . 1 1 122 122 ALA H H 122 8.593 8.593 8.365 0.228 19654 581 1 1 . 1 1 123 123 GLU N N 123 120.516 120.516 118.159 2.357 19654 582 1 1 . 1 1 123 123 GLU HA H 123 3.862 3.862 3.971 -0.109 19654 583 1 1 . 1 1 123 123 GLU CA C 123 59.995 59.995 59.397 0.598 19654 584 1 1 . 1 1 123 123 GLU CB C 123 29.298 29.298 29.569 -0.271 19654 585 1 1 . 1 1 123 123 GLU H H 123 8.568 8.568 8.316 0.252 19654 586 1 1 . 1 1 124 124 SER N N 124 116.054 116.054 116.337 -0.283 19654 587 1 1 . 1 1 124 124 SER HA H 124 4.367 4.367 4.246 0.121 19654 588 1 1 . 1 1 124 124 SER CA C 124 62.240 62.240 62.497 -0.257 19654 589 1 1 . 1 1 124 124 SER CB C 124 63.074 63.074 62.793 0.281 19654 590 1 1 . 1 1 124 124 SER H H 124 8.282 8.282 8.119 0.163 19654 591 1 1 . 1 1 125 125 ILE N N 125 120.575 120.575 122.075 -1.500 19654 592 1 1 . 1 1 125 125 ILE HA H 125 3.627 3.627 3.786 -0.159 19654 593 1 1 . 1 1 125 125 ILE CA C 125 64.655 64.655 64.358 0.297 19654 594 1 1 . 1 1 125 125 ILE CB C 125 37.413 37.413 36.960 0.453 19654 595 1 1 . 1 1 125 125 ILE H H 125 8.343 8.343 8.513 -0.170 19654 596 1 1 . 1 1 126 126 THR N N 126 116.459 116.459 115.957 0.502 19654 597 1 1 . 1 1 126 126 THR HA H 126 3.482 3.482 3.930 -0.448 19654 598 1 1 . 1 1 126 126 THR CA C 126 68.679 68.679 67.463 1.216 19654 599 1 1 . 1 1 126 126 THR CB C 126 67.075 67.075 68.000 -0.925 19654 600 1 1 . 1 1 126 126 THR H H 126 8.056 8.056 8.143 -0.087 19654 601 1 1 . 1 1 127 127 ASP N N 127 120.236 120.236 122.172 -1.936 19654 602 1 1 . 1 1 127 127 ASP HA H 127 4.481 4.481 4.702 -0.221 19654 603 1 1 . 1 1 127 127 ASP CA C 127 58.322 58.322 57.773 0.549 19654 604 1 1 . 1 1 127 127 ASP CB C 127 41.822 41.822 41.047 0.775 19654 605 1 1 . 1 1 127 127 ASP H H 127 8.813 8.813 8.278 0.535 19654 606 1 1 . 1 1 128 128 VAL N N 128 116.904 116.904 119.654 -2.750 19654 607 1 1 . 1 1 128 128 VAL HA H 128 3.677 3.677 3.700 -0.023 19654 608 1 1 . 1 1 128 128 VAL CA C 128 66.346 66.346 66.635 -0.289 19654 609 1 1 . 1 1 128 128 VAL CB C 128 31.351 31.351 31.925 -0.574 19654 610 1 1 . 1 1 128 128 VAL H H 128 7.949 7.949 8.012 -0.063 19654 611 1 1 . 1 1 129 129 LEU N N 129 121.043 121.043 121.306 -0.263 19654 612 1 1 . 1 1 129 129 LEU HA H 129 3.819 3.819 3.938 -0.119 19654 613 1 1 . 1 1 129 129 LEU CA C 129 58.742 58.742 58.449 0.293 19654 614 1 1 . 1 1 129 129 LEU CB C 129 42.370 42.370 41.929 0.441 19654 615 1 1 . 1 1 129 129 LEU H H 129 8.198 8.198 7.948 0.250 19654 616 1 1 . 1 1 130 130 VAL N N 130 114.370 114.370 116.308 -1.938 19654 617 1 1 . 1 1 130 130 VAL HA H 130 3.525 3.525 3.709 -0.184 19654 618 1 1 . 1 1 130 130 VAL CA C 130 66.004 66.004 65.600 0.404 19654 619 1 1 . 1 1 130 130 VAL CB C 130 31.320 31.320 31.585 -0.265 19654 620 1 1 . 1 1 130 130 VAL H H 130 8.858 8.858 8.306 0.552 19654 621 1 1 . 1 1 131 131 ARG N N 131 115.890 115.890 119.403 -3.513 19654 622 1 1 . 1 1 131 131 ARG HA H 131 4.284 4.284 4.194 0.090 19654 623 1 1 . 1 1 131 131 ARG CA C 131 59.255 59.255 58.931 0.324 19654 624 1 1 . 1 1 131 131 ARG CB C 131 30.009 30.009 30.670 -0.661 19654 625 1 1 . 1 1 131 131 ARG H H 131 8.619 8.619 7.961 0.658 19654 626 1 1 . 1 1 132 132 THR N N 132 106.654 106.654 110.357 -3.703 19654 627 1 1 . 1 1 132 132 THR HA H 132 4.464 4.464 4.412 0.052 19654 628 1 1 . 1 1 132 132 THR CA C 132 64.081 64.081 63.404 0.677 19654 629 1 1 . 1 1 132 132 THR CB C 132 69.870 69.870 69.942 -0.071 19654 630 1 1 . 1 1 132 132 THR H H 132 7.530 7.530 8.147 -0.617 19654 631 1 1 . 1 1 133 133 LYS N N 133 117.426 117.426 121.308 -3.882 19654 632 1 1 . 1 1 133 133 LYS HA H 133 5.029 5.029 4.647 0.382 19654 633 1 1 . 1 1 133 133 LYS CA C 133 53.009 53.009 54.783 -1.774 19654 634 1 1 . 1 1 133 133 LYS CB C 133 31.044 31.044 31.989 -0.945 19654 635 1 1 . 1 1 133 133 LYS H H 133 7.691 7.691 7.819 -0.128 19654 636 1 1 . 1 1 134 134 ARG N N 134 120.904 120.904 121.513 -0.609 19654 637 1 1 . 1 1 134 134 ARG HA H 134 3.679 3.679 3.851 -0.172 19654 638 1 1 . 1 1 134 134 ARG CA C 134 61.456 61.456 60.023 1.433 19654 639 1 1 . 1 1 134 134 ARG CB C 134 30.261 30.261 29.633 0.628 19654 640 1 1 . 1 1 134 134 ARG H H 134 7.341 7.341 8.266 -0.925 19654 641 1 1 . 1 1 135 135 ASP N N 135 114.262 114.262 117.869 -3.607 19654 642 1 1 . 1 1 135 135 ASP HA H 135 4.238 4.238 4.354 -0.116 19654 643 1 1 . 1 1 135 135 ASP CA C 135 57.595 57.595 57.503 0.092 19654 644 1 1 . 1 1 135 135 ASP CB C 135 39.961 39.961 40.082 -0.121 19654 645 1 1 . 1 1 135 135 ASP H H 135 8.386 8.386 8.786 -0.400 19654 646 1 1 . 1 1 136 136 TRP N N 136 121.564 121.564 120.546 1.018 19654 647 1 1 . 1 1 136 136 TRP HA H 136 3.858 3.858 4.372 -0.514 19654 648 1 1 . 1 1 136 136 TRP CA C 136 62.373 62.373 60.016 2.357 19654 649 1 1 . 1 1 136 136 TRP CB C 136 28.807 28.807 29.091 -0.284 19654 650 1 1 . 1 1 136 136 TRP H H 136 7.844 7.844 7.856 -0.012 19654 651 1 1 . 1 1 137 137 LEU N N 137 117.395 117.395 119.040 -1.645 19654 652 1 1 . 1 1 137 137 LEU HA H 137 3.461 3.461 3.879 -0.418 19654 653 1 1 . 1 1 137 137 LEU CA C 137 58.325 58.325 57.977 0.347 19654 654 1 1 . 1 1 137 137 LEU CB C 137 42.979 42.979 41.633 1.347 19654 655 1 1 . 1 1 137 137 LEU H H 137 8.623 8.623 8.219 0.404 19654 656 1 1 . 1 1 138 138 VAL N N 138 118.341 118.341 116.924 1.417 19654 657 1 1 . 1 1 138 138 VAL HA H 138 3.586 3.586 3.709 -0.123 19654 658 1 1 . 1 1 138 138 VAL CA C 138 66.501 66.501 65.369 1.132 19654 659 1 1 . 1 1 138 138 VAL CB C 138 31.588 31.588 31.986 -0.398 19654 660 1 1 . 1 1 138 138 VAL H H 138 8.631 8.631 7.457 1.174 19654 661 1 1 . 1 1 139 139 LYS N N 139 122.096 122.096 121.123 0.973 19654 662 1 1 . 1 1 139 139 LYS HA H 139 3.941 3.941 4.034 -0.093 19654 663 1 1 . 1 1 139 139 LYS CA C 139 58.925 58.925 58.755 0.170 19654 664 1 1 . 1 1 139 139 LYS CB C 139 31.752 31.752 31.941 -0.189 19654 665 1 1 . 1 1 139 139 LYS H H 139 7.695 7.695 8.450 -0.755 19654 666 1 1 . 1 1 140 140 GLN N N 140 115.416 115.416 116.015 -0.599 19654 667 1 1 . 1 1 140 140 GLN HA H 140 3.970 3.970 4.631 -0.661 19654 668 1 1 . 1 1 140 140 GLN CA C 140 54.309 54.309 54.425 -0.116 19654 669 1 1 . 1 1 140 140 GLN CB C 140 27.174 27.174 29.102 -1.928 19654 670 1 1 . 1 1 140 140 GLN H H 140 7.344 7.344 7.961 -0.617 19654 671 1 1 . 1 1 141 141 ARG N N 141 110.160 110.160 116.644 -6.484 19654 672 1 1 . 1 1 141 141 ARG HA H 141 3.899 3.899 3.886 0.013 19654 673 1 1 . 1 1 141 141 ARG CA C 141 57.400 57.400 56.961 0.439 19654 674 1 1 . 1 1 141 141 ARG CB C 141 25.640 25.640 27.859 -2.219 19654 675 1 1 . 1 1 141 141 ARG H H 141 7.677 7.677 7.632 0.045 19654 676 1 1 . 1 1 142 142 GLY N N 142 107.741 107.741 106.435 1.306 19654 677 1 1 . 1 1 142 142 GLY CA C 142 45.633 45.633 46.921 -1.288 19654 678 1 1 . 1 1 142 142 GLY H H 142 8.931 8.931 7.946 0.985 19654 679 1 1 . 1 1 143 143 TRP N N 143 123.871 123.871 123.058 0.813 19654 680 1 1 . 1 1 143 143 TRP HA H 143 4.273 4.273 4.454 -0.181 19654 681 1 1 . 1 1 143 143 TRP CA C 143 59.317 59.317 59.294 0.023 19654 682 1 1 . 1 1 143 143 TRP CB C 143 28.435 28.435 29.341 -0.906 19654 683 1 1 . 1 1 143 143 TRP H H 143 9.004 9.004 7.647 1.357 19654 684 1 1 . 1 1 144 144 ASP N N 144 119.481 119.481 118.166 1.315 19654 685 1 1 . 1 1 144 144 ASP HA H 144 4.553 4.553 4.339 0.214 19654 686 1 1 . 1 1 144 144 ASP CA C 144 57.825 57.825 58.252 -0.427 19654 687 1 1 . 1 1 144 144 ASP CB C 144 40.435 40.435 40.309 0.126 19654 688 1 1 . 1 1 144 144 ASP H H 144 8.071 8.071 8.665 -0.594 19654 689 1 1 . 1 1 145 145 GLY N N 145 109.653 109.653 107.436 2.217 19654 690 1 1 . 1 1 145 145 GLY CA C 145 46.856 46.856 46.469 0.387 19654 691 1 1 . 1 1 145 145 GLY H H 145 7.493 7.493 7.629 -0.136 19654 692 1 1 . 1 1 146 146 PHE N N 146 124.053 124.053 123.233 0.820 19654 693 1 1 . 1 1 146 146 PHE HA H 146 2.455 2.455 4.028 -1.573 19654 694 1 1 . 1 1 146 146 PHE CA C 146 60.349 60.349 59.901 0.447 19654 695 1 1 . 1 1 146 146 PHE CB C 146 38.607 38.607 39.262 -0.655 19654 696 1 1 . 1 1 146 146 PHE H H 146 7.257 7.257 7.952 -0.695 19654 697 1 1 . 1 1 147 147 VAL N N 147 116.525 116.525 117.881 -1.356 19654 698 1 1 . 1 1 147 147 VAL HA H 147 3.298 3.298 3.318 -0.020 19654 699 1 1 . 1 1 147 147 VAL CA C 147 66.080 66.080 66.201 -0.121 19654 700 1 1 . 1 1 147 147 VAL CB C 147 31.904 31.904 30.790 1.114 19654 701 1 1 . 1 1 147 147 VAL H H 147 7.700 7.700 7.982 -0.282 19654 702 1 1 . 1 1 148 148 GLU N N 148 118.404 118.404 120.183 -1.779 19654 703 1 1 . 1 1 148 148 GLU HA H 148 3.985 3.985 4.007 -0.022 19654 704 1 1 . 1 1 148 148 GLU CA C 148 58.933 58.933 59.019 -0.086 19654 705 1 1 . 1 1 148 148 GLU CB C 148 29.535 29.535 29.119 0.416 19654 706 1 1 . 1 1 148 148 GLU H H 148 7.801 7.801 7.675 0.126 19654 707 1 1 . 1 1 149 149 PHE N N 149 120.305 120.305 121.890 -1.585 19654 708 1 1 . 1 1 149 149 PHE HA H 149 3.970 3.970 3.960 0.010 19654 709 1 1 . 1 1 149 149 PHE CA C 149 61.341 61.341 60.935 0.405 19654 710 1 1 . 1 1 149 149 PHE CB C 149 39.011 39.011 39.323 -0.312 19654 711 1 1 . 1 1 149 149 PHE H H 149 8.358 8.358 8.019 0.339 19654 712 1 1 . 1 1 150 150 PHE N N 150 112.582 112.582 113.744 -1.162 19654 713 1 1 . 1 1 150 150 PHE HA H 150 4.255 4.255 4.384 -0.129 19654 714 1 1 . 1 1 150 150 PHE CA C 150 59.075 59.075 58.883 0.192 19654 715 1 1 . 1 1 150 150 PHE CB C 150 39.487 39.487 39.153 0.334 19654 716 1 1 . 1 1 150 150 PHE H H 150 6.927 6.927 7.826 -0.899 19654 717 1 1 . 1 1 151 151 HIS N N 151 118.966 118.966 117.344 1.622 19654 718 1 1 . 1 1 151 151 HIS HA H 151 4.370 4.370 4.281 0.089 19654 719 1 1 . 1 1 151 151 HIS CA C 151 56.788 56.788 56.537 0.251 19654 720 1 1 . 1 1 151 151 HIS CB C 151 28.827 28.827 27.945 0.882 19654 721 1 1 . 1 1 151 151 HIS H H 151 7.483 7.483 7.293 0.190 19654 722 1 1 . 1 1 152 152 VAL N N 152 120.499 120.499 122.280 -1.781 19654 723 1 1 . 1 1 152 152 VAL HA H 152 3.950 3.950 4.036 -0.086 19654 724 1 1 . 1 1 152 152 VAL CA C 152 62.110 62.110 64.082 -1.972 19654 725 1 1 . 1 1 152 152 VAL CB C 152 32.593 32.593 32.935 -0.342 19654 726 1 1 . 1 1 152 152 VAL H H 152 8.103 8.103 8.096 0.007 19654 727 1 1 . 1 1 153 153 GLU N N 153 123.580 123.580 118.612 4.968 19654 728 1 1 . 1 1 153 153 GLU HA H 153 4.162 4.162 4.297 -0.135 19654 729 1 1 . 1 1 153 153 GLU CA C 153 56.433 56.433 55.834 0.599 19654 730 1 1 . 1 1 153 153 GLU CB C 153 30.101 30.101 29.718 0.383 19654 731 1 1 . 1 1 153 153 GLU H H 153 8.446 8.446 8.195 0.251 19654 732 1 1 . 1 1 154 154 ASP N N 154 120.964 120.964 118.594 2.370 19654 733 1 1 . 1 1 154 154 ASP HA H 154 4.565 4.565 4.421 0.144 19654 734 1 1 . 1 1 154 154 ASP CA C 154 54.106 54.106 54.187 -0.081 19654 735 1 1 . 1 1 154 154 ASP CB C 154 40.836 40.836 41.947 -1.111 19654 736 1 1 . 1 1 154 154 ASP H H 154 8.325 8.325 7.827 0.497 19654 737 1 1 . 1 1 155 155 LEU N N 155 122.311 122.311 116.260 6.051 19654 738 1 1 . 1 1 155 155 LEU HA H 155 4.230 4.230 4.856 -0.626 19654 739 1 1 . 1 1 155 155 LEU CA C 155 55.340 55.340 55.202 0.138 19654 740 1 1 . 1 1 155 155 LEU CB C 155 42.094 42.094 41.313 0.781 19654 741 1 1 . 1 1 155 155 LEU H H 155 8.210 8.210 8.096 0.114 19654 742 1 1 . 1 1 156 156 GLU N N 156 120.023 120.023 121.083 -1.060 19654 743 1 1 . 1 1 156 156 GLU HA H 156 4.218 4.218 4.520 -0.302 19654 744 1 1 . 1 1 156 156 GLU CA C 156 56.831 56.831 57.083 -0.252 19654 745 1 1 . 1 1 156 156 GLU CB C 156 29.930 29.930 31.378 -1.448 19654 746 1 1 . 1 1 156 156 GLU H H 156 8.396 8.396 8.787 -0.391 19654 747 1 1 . 1 1 157 157 GLY N N 157 109.371 109.371 104.490 4.881 19654 748 1 1 . 1 1 157 157 GLY CA C 157 45.327 45.327 45.337 -0.009 19654 749 1 1 . 1 1 157 157 GLY H H 157 8.323 8.323 8.657 -0.334 19654 750 1 1 . 1 1 158 158 GLY N N 158 108.074 108.074 110.638 -2.564 19654 751 1 1 . 1 1 158 158 GLY CA C 158 45.061 45.061 45.834 -0.773 19654 752 1 1 . 1 1 158 158 GLY H H 158 8.226 8.226 8.520 -0.294 19654 753 1 1 . 1 1 159 159 HIS N N 159 117.875 117.875 121.852 -3.977 19654 754 1 1 . 1 1 159 159 HIS HA H 159 4.551 4.551 4.667 -0.116 19654 755 1 1 . 1 1 159 159 HIS CA C 159 55.600 55.600 57.113 -1.513 19654 756 1 1 . 1 1 159 159 HIS CB C 159 29.800 29.800 29.554 0.246 19654 757 1 1 . 1 1 159 159 HIS H H 159 8.210 8.210 7.962 0.248 19654 758 1 1 . 1 1 161 161 HIS N N 161 125.094 125.094 121.995 3.099 19654 759 1 1 . 1 1 161 161 HIS HA H 161 4.585 4.585 4.673 -0.088 19654 760 1 1 . 1 1 161 161 HIS H H 161 8.162 8.162 8.290 -0.128 19654 761 1 2 . 1 1 2 2 GLU HA H 2 4.333 4.333 4.461 -0.128 19654 762 1 2 . 1 1 2 2 GLU CA C 2 56.183 56.183 55.452 0.731 19654 763 1 2 . 1 1 2 2 GLU CB C 2 30.150 30.150 30.900 -0.750 19654 764 1 2 . 1 1 3 3 ASP N N 3 122.553 122.553 122.051 0.502 19654 765 1 2 . 1 1 3 3 ASP HA H 3 4.729 4.729 4.653 0.076 19654 766 1 2 . 1 1 3 3 ASP CA C 3 53.659 53.659 54.125 -0.466 19654 767 1 2 . 1 1 3 3 ASP CB C 3 41.319 41.319 41.636 -0.317 19654 768 1 2 . 1 1 3 3 ASP H H 3 8.437 8.437 8.469 -0.032 19654 769 1 2 . 1 1 4 4 GLU N N 4 125.121 125.121 122.826 2.295 19654 770 1 2 . 1 1 4 4 GLU HA H 4 4.235 4.235 4.089 0.146 19654 771 1 2 . 1 1 4 4 GLU CA C 4 58.915 58.915 59.268 -0.353 19654 772 1 2 . 1 1 4 4 GLU CB C 4 29.274 29.274 29.845 -0.571 19654 773 1 2 . 1 1 4 4 GLU H H 4 8.726 8.726 8.913 -0.187 19654 774 1 2 . 1 1 5 5 LEU N N 5 120.976 120.976 121.664 -0.688 19654 775 1 2 . 1 1 5 5 LEU HA H 5 4.517 4.517 4.254 0.263 19654 776 1 2 . 1 1 5 5 LEU CA C 5 57.939 57.939 58.038 -0.099 19654 777 1 2 . 1 1 5 5 LEU CB C 5 40.917 40.917 41.533 -0.616 19654 778 1 2 . 1 1 5 5 LEU H H 5 8.381 8.381 8.223 0.158 19654 779 1 2 . 1 1 6 6 TYR N N 6 123.977 123.977 119.191 4.786 19654 780 1 2 . 1 1 6 6 TYR HA H 6 3.865 3.865 4.247 -0.382 19654 781 1 2 . 1 1 6 6 TYR CA C 6 62.721 62.721 61.727 0.994 19654 782 1 2 . 1 1 6 6 TYR CB C 6 38.475 38.475 38.221 0.254 19654 783 1 2 . 1 1 6 6 TYR H H 6 8.342 8.342 8.298 0.044 19654 784 1 2 . 1 1 7 7 ARG N N 7 118.301 118.301 117.884 0.417 19654 785 1 2 . 1 1 7 7 ARG HA H 7 3.828 3.828 3.898 -0.070 19654 786 1 2 . 1 1 7 7 ARG CA C 7 59.619 59.619 59.345 0.274 19654 787 1 2 . 1 1 7 7 ARG CB C 7 29.720 29.720 30.020 -0.300 19654 788 1 2 . 1 1 7 7 ARG H H 7 8.452 8.452 7.966 0.486 19654 789 1 2 . 1 1 8 8 GLN N N 8 119.421 119.421 120.617 -1.196 19654 790 1 2 . 1 1 8 8 GLN HA H 8 3.944 3.944 3.965 -0.021 19654 791 1 2 . 1 1 8 8 GLN CA C 8 58.827 58.827 59.306 -0.479 19654 792 1 2 . 1 1 8 8 GLN CB C 8 28.918 28.918 28.835 0.083 19654 793 1 2 . 1 1 8 8 GLN H H 8 8.894 8.894 8.575 0.319 19654 794 1 2 . 1 1 9 9 SER N N 9 113.384 113.384 116.392 -3.008 19654 795 1 2 . 1 1 9 9 SER HA H 9 4.007 4.007 3.834 0.173 19654 796 1 2 . 1 1 9 9 SER CA C 9 62.117 62.117 61.551 0.566 19654 797 1 2 . 1 1 9 9 SER CB C 9 63.544 63.544 63.236 0.308 19654 798 1 2 . 1 1 9 9 SER H H 9 8.018 8.018 8.164 -0.146 19654 799 1 2 . 1 1 10 10 LEU N N 10 121.112 121.112 124.499 -3.387 19654 800 1 2 . 1 1 10 10 LEU HA H 10 4.130 4.130 4.040 0.090 19654 801 1 2 . 1 1 10 10 LEU CA C 10 57.022 57.022 57.776 -0.754 19654 802 1 2 . 1 1 10 10 LEU CB C 10 41.146 41.146 41.410 -0.264 19654 803 1 2 . 1 1 10 10 LEU H H 10 8.599 8.599 8.397 0.202 19654 804 1 2 . 1 1 11 11 GLU N N 11 120.653 120.653 119.527 1.126 19654 805 1 2 . 1 1 11 11 GLU HA H 11 3.914 3.914 3.957 -0.043 19654 806 1 2 . 1 1 11 11 GLU CA C 11 59.627 59.627 59.508 0.119 19654 807 1 2 . 1 1 11 11 GLU CB C 11 29.298 29.298 29.565 -0.267 19654 808 1 2 . 1 1 11 11 GLU H H 11 7.806 7.806 7.709 0.097 19654 809 1 2 . 1 1 12 12 ILE N N 12 117.297 117.297 120.137 -2.840 19654 810 1 2 . 1 1 12 12 ILE HA H 12 3.121 3.121 3.520 -0.399 19654 811 1 2 . 1 1 12 12 ILE CA C 12 65.774 65.774 65.855 -0.081 19654 812 1 2 . 1 1 12 12 ILE CB C 12 39.143 39.143 37.733 1.411 19654 813 1 2 . 1 1 12 12 ILE H H 12 7.401 7.401 7.730 -0.329 19654 814 1 2 . 1 1 13 13 ILE N N 13 117.560 117.560 119.276 -1.716 19654 815 1 2 . 1 1 13 13 ILE HA H 13 3.302 3.302 3.536 -0.234 19654 816 1 2 . 1 1 13 13 ILE CA C 13 66.420 66.420 65.773 0.647 19654 817 1 2 . 1 1 13 13 ILE CB C 13 37.714 37.714 37.508 0.206 19654 818 1 2 . 1 1 13 13 ILE H H 13 8.378 8.378 8.380 -0.002 19654 819 1 2 . 1 1 14 14 SER N N 14 113.892 113.892 115.726 -1.834 19654 820 1 2 . 1 1 14 14 SER HA H 14 3.889 3.889 4.004 -0.115 19654 821 1 2 . 1 1 14 14 SER CA C 14 62.310 62.310 62.020 0.290 19654 822 1 2 . 1 1 14 14 SER CB C 14 62.282 62.282 63.090 -0.808 19654 823 1 2 . 1 1 14 14 SER H H 14 9.048 9.048 8.392 0.656 19654 824 1 2 . 1 1 15 15 ARG N N 15 118.890 118.890 121.290 -2.400 19654 825 1 2 . 1 1 15 15 ARG HA H 15 4.033 4.033 4.101 -0.068 19654 826 1 2 . 1 1 15 15 ARG CA C 15 59.496 59.496 59.711 -0.215 19654 827 1 2 . 1 1 15 15 ARG CB C 15 29.727 29.727 30.203 -0.476 19654 828 1 2 . 1 1 15 15 ARG H H 15 7.655 7.655 7.934 -0.279 19654 829 1 2 . 1 1 16 16 TYR N N 16 119.757 119.757 121.495 -1.738 19654 830 1 2 . 1 1 16 16 TYR HA H 16 4.146 4.146 4.213 -0.067 19654 831 1 2 . 1 1 16 16 TYR CA C 16 61.265 61.265 61.195 0.070 19654 832 1 2 . 1 1 16 16 TYR CB C 16 38.495 38.495 38.217 0.278 19654 833 1 2 . 1 1 16 16 TYR H H 16 8.351 8.351 8.417 -0.066 19654 834 1 2 . 1 1 17 17 LEU N N 17 118.494 118.494 119.339 -0.845 19654 835 1 2 . 1 1 17 17 LEU HA H 17 3.375 3.375 3.766 -0.391 19654 836 1 2 . 1 1 17 17 LEU CA C 17 59.627 59.627 58.548 1.079 19654 837 1 2 . 1 1 17 17 LEU CB C 17 39.949 39.949 41.142 -1.193 19654 838 1 2 . 1 1 17 17 LEU H H 17 8.578 8.578 8.702 -0.124 19654 839 1 2 . 1 1 18 18 ARG N N 18 115.962 115.962 118.504 -2.542 19654 840 1 2 . 1 1 18 18 ARG HA H 18 3.858 3.858 3.963 -0.105 19654 841 1 2 . 1 1 18 18 ARG CA C 18 60.233 60.233 58.495 1.738 19654 842 1 2 . 1 1 18 18 ARG CB C 18 29.993 29.993 29.444 0.549 19654 843 1 2 . 1 1 18 18 ARG H H 18 8.044 8.044 7.848 0.196 19654 844 1 2 . 1 1 19 19 GLU N N 19 120.998 120.998 120.174 0.824 19654 845 1 2 . 1 1 19 19 GLU HA H 19 4.153 4.153 4.038 0.115 19654 846 1 2 . 1 1 19 19 GLU CA C 19 58.857 58.857 59.464 -0.607 19654 847 1 2 . 1 1 19 19 GLU CB C 19 29.661 29.661 29.317 0.344 19654 848 1 2 . 1 1 19 19 GLU H H 19 8.268 8.268 8.667 -0.399 19654 849 1 2 . 1 1 20 20 GLN N N 20 119.903 119.903 117.472 2.431 19654 850 1 2 . 1 1 20 20 GLN HA H 20 3.715 3.715 3.970 -0.255 19654 851 1 2 . 1 1 20 20 GLN CA C 20 58.008 58.008 57.609 0.399 19654 852 1 2 . 1 1 20 20 GLN CB C 20 28.666 28.666 28.276 0.391 19654 853 1 2 . 1 1 20 20 GLN H H 20 8.193 8.193 8.000 0.193 19654 854 1 2 . 1 1 21 21 ALA N N 21 117.771 117.771 120.947 -3.176 19654 855 1 2 . 1 1 21 21 ALA HA H 21 3.985 3.985 4.026 -0.041 19654 856 1 2 . 1 1 21 21 ALA CA C 21 54.397 54.397 54.891 -0.494 19654 857 1 2 . 1 1 21 21 ALA CB C 21 20.022 20.022 18.928 1.094 19654 858 1 2 . 1 1 21 21 ALA H H 21 7.883 7.883 7.984 -0.102 19654 859 1 2 . 1 1 22 22 THR N N 22 103.721 103.721 108.568 -4.847 19654 860 1 2 . 1 1 22 22 THR HA H 22 4.279 4.279 4.222 0.057 19654 861 1 2 . 1 1 22 22 THR CA C 22 62.357 62.357 63.183 -0.826 19654 862 1 2 . 1 1 22 22 THR CB C 22 71.071 71.071 69.724 1.347 19654 863 1 2 . 1 1 22 22 THR H H 22 8.024 8.024 8.107 -0.083 19654 864 1 2 . 1 1 23 23 GLY N N 23 111.610 111.610 110.939 0.671 19654 865 1 2 . 1 1 23 23 GLY CA C 23 45.574 45.574 45.552 0.022 19654 866 1 2 . 1 1 23 23 GLY H H 23 8.155 8.155 7.771 0.384 19654 867 1 2 . 1 1 24 24 ALA N N 24 123.004 123.004 121.692 1.312 19654 868 1 2 . 1 1 24 24 ALA HA H 24 4.526 4.526 4.717 -0.191 19654 869 1 2 . 1 1 24 24 ALA CA C 24 50.763 50.763 51.367 -0.604 19654 870 1 2 . 1 1 24 24 ALA CB C 24 20.186 20.186 21.189 -1.004 19654 871 1 2 . 1 1 24 24 ALA H H 24 7.763 7.763 7.732 0.031 19654 872 1 2 . 1 1 25 25 LYS N N 25 121.392 121.392 119.596 1.796 19654 873 1 2 . 1 1 25 25 LYS HA H 25 4.181 4.181 4.625 -0.444 19654 874 1 2 . 1 1 25 25 LYS CA C 25 55.729 55.729 54.849 0.880 19654 875 1 2 . 1 1 25 25 LYS CB C 25 33.175 33.175 34.347 -1.172 19654 876 1 2 . 1 1 25 25 LYS H H 25 8.349 8.349 8.176 0.173 19654 877 1 2 . 1 1 26 26 ASP N N 26 124.433 124.433 122.459 1.974 19654 878 1 2 . 1 1 26 26 ASP HA H 26 4.618 4.618 4.661 -0.043 19654 879 1 2 . 1 1 26 26 ASP CA C 26 53.735 53.735 53.902 -0.167 19654 880 1 2 . 1 1 26 26 ASP CB C 26 41.402 41.402 43.535 -2.133 19654 881 1 2 . 1 1 26 26 ASP H H 26 8.803 8.803 8.664 0.139 19654 882 1 2 . 1 1 27 27 THR N N 27 116.332 116.332 115.280 1.052 19654 883 1 2 . 1 1 27 27 THR HA H 27 4.249 4.249 4.232 0.017 19654 884 1 2 . 1 1 27 27 THR CA C 27 61.268 61.268 62.050 -0.782 19654 885 1 2 . 1 1 27 27 THR CB C 27 68.993 68.993 69.262 -0.269 19654 886 1 2 . 1 1 27 27 THR H H 27 8.363 8.363 8.323 0.040 19654 887 1 2 . 1 1 28 28 LYS N N 28 125.551 125.551 122.622 2.929 19654 888 1 2 . 1 1 28 28 LYS HA H 28 4.437 4.437 4.325 0.112 19654 889 1 2 . 1 1 28 28 LYS CA C 28 55.188 55.188 55.867 -0.679 19654 890 1 2 . 1 1 28 28 LYS CB C 28 31.409 31.409 32.171 -0.762 19654 891 1 2 . 1 1 28 28 LYS H H 28 8.346 8.346 8.271 0.075 19654 892 1 2 . 1 1 29 29 PRO HA H 29 4.392 4.392 4.208 0.184 19654 893 1 2 . 1 1 29 29 PRO CA C 29 63.164 63.164 65.833 -2.669 19654 894 1 2 . 1 1 29 29 PRO CB C 29 31.904 31.904 31.963 -0.059 19654 895 1 2 . 1 1 30 30 MET N N 30 121.136 121.136 113.485 7.651 19654 896 1 2 . 1 1 30 30 MET HA H 30 4.381 4.381 4.442 -0.061 19654 897 1 2 . 1 1 30 30 MET CA C 30 55.229 55.229 55.730 -0.501 19654 898 1 2 . 1 1 30 30 MET CB C 30 33.819 33.819 34.874 -1.055 19654 899 1 2 . 1 1 30 30 MET H H 30 8.585 8.585 8.633 -0.048 19654 900 1 2 . 1 1 31 31 GLY N N 31 109.849 109.849 106.029 3.820 19654 901 1 2 . 1 1 31 31 GLY CA C 31 44.983 44.983 44.568 0.415 19654 902 1 2 . 1 1 31 31 GLY H H 31 8.930 8.930 7.365 1.565 19654 903 1 2 . 1 1 32 32 ARG N N 32 121.001 121.001 121.370 -0.369 19654 904 1 2 . 1 1 32 32 ARG HA H 32 4.239 4.239 3.981 0.258 19654 905 1 2 . 1 1 32 32 ARG CA C 32 56.755 56.755 58.736 -1.981 19654 906 1 2 . 1 1 32 32 ARG CB C 32 30.110 30.110 30.160 -0.050 19654 907 1 2 . 1 1 32 32 ARG H H 32 8.447 8.447 8.828 -0.381 19654 908 1 2 . 1 1 33 33 SER N N 33 119.991 119.991 112.938 7.053 19654 909 1 2 . 1 1 33 33 SER HA H 33 4.386 4.386 4.298 0.088 19654 910 1 2 . 1 1 33 33 SER CA C 33 58.502 58.502 59.120 -0.618 19654 911 1 2 . 1 1 33 33 SER CB C 33 62.609 62.609 63.050 -0.441 19654 912 1 2 . 1 1 33 33 SER H H 33 8.667 8.667 8.197 0.470 19654 913 1 2 . 1 1 34 34 GLY N N 34 108.582 108.582 109.163 -0.581 19654 914 1 2 . 1 1 34 34 GLY CA C 34 46.637 46.637 46.721 -0.084 19654 915 1 2 . 1 1 34 34 GLY H H 34 8.216 8.216 7.702 0.514 19654 916 1 2 . 1 1 35 35 ALA N N 35 123.445 123.445 127.304 -3.859 19654 917 1 2 . 1 1 35 35 ALA HA H 35 4.193 4.193 3.906 0.287 19654 918 1 2 . 1 1 35 35 ALA CA C 35 54.770 54.770 55.233 -0.463 19654 919 1 2 . 1 1 35 35 ALA CB C 35 18.437 18.437 18.732 -0.295 19654 920 1 2 . 1 1 35 35 ALA H H 35 8.506 8.506 7.976 0.530 19654 921 1 2 . 1 1 36 36 THR N N 36 115.716 115.716 113.883 1.833 19654 922 1 2 . 1 1 36 36 THR HA H 36 3.919 3.919 3.899 0.020 19654 923 1 2 . 1 1 36 36 THR CA C 36 67.249 67.249 66.746 0.503 19654 924 1 2 . 1 1 36 36 THR CB C 36 68.225 68.225 68.594 -0.369 19654 925 1 2 . 1 1 36 36 THR H H 36 8.262 8.262 7.840 0.422 19654 926 1 2 . 1 1 37 37 SER N N 37 117.911 117.911 117.037 0.874 19654 927 1 2 . 1 1 37 37 SER HA H 37 3.869 3.869 4.051 -0.182 19654 928 1 2 . 1 1 37 37 SER CA C 37 62.333 62.333 60.771 1.562 19654 929 1 2 . 1 1 37 37 SER CB C 37 62.333 62.333 62.934 -0.601 19654 930 1 2 . 1 1 37 37 SER H H 37 8.389 8.389 8.079 0.310 19654 931 1 2 . 1 1 38 38 ARG N N 38 120.924 120.924 123.633 -2.709 19654 932 1 2 . 1 1 38 38 ARG HA H 38 3.901 3.901 3.984 -0.083 19654 933 1 2 . 1 1 38 38 ARG CA C 38 59.923 59.923 59.322 0.601 19654 934 1 2 . 1 1 38 38 ARG CB C 38 29.759 29.759 30.229 -0.470 19654 935 1 2 . 1 1 38 38 ARG H H 38 8.278 8.278 8.265 0.013 19654 936 1 2 . 1 1 39 39 LYS N N 39 119.172 119.172 118.991 0.181 19654 937 1 2 . 1 1 39 39 LYS HA H 39 4.151 4.151 4.019 0.132 19654 938 1 2 . 1 1 39 39 LYS CA C 39 59.086 59.086 59.600 -0.514 19654 939 1 2 . 1 1 39 39 LYS CB C 39 32.807 32.807 32.121 0.686 19654 940 1 2 . 1 1 39 39 LYS H H 39 7.930 7.930 8.185 -0.255 19654 941 1 2 . 1 1 40 40 ALA N N 40 125.586 125.586 122.794 2.792 19654 942 1 2 . 1 1 40 40 ALA HA H 40 4.175 4.175 4.262 -0.087 19654 943 1 2 . 1 1 40 40 ALA CA C 40 55.633 55.633 55.125 0.508 19654 944 1 2 . 1 1 40 40 ALA CB C 40 18.675 18.675 18.333 0.342 19654 945 1 2 . 1 1 40 40 ALA H H 40 9.192 9.192 7.689 1.503 19654 946 1 2 . 1 1 41 41 LEU N N 41 120.080 120.080 120.077 0.003 19654 947 1 2 . 1 1 41 41 LEU HA H 41 3.930 3.930 3.830 0.100 19654 948 1 2 . 1 1 41 41 LEU CA C 41 58.169 58.169 57.898 0.271 19654 949 1 2 . 1 1 41 41 LEU CB C 41 41.683 41.683 41.788 -0.104 19654 950 1 2 . 1 1 41 41 LEU H H 41 8.209 8.209 7.815 0.394 19654 951 1 2 . 1 1 42 42 GLU N N 42 117.875 117.875 116.401 1.474 19654 952 1 2 . 1 1 42 42 GLU HA H 42 3.977 3.977 4.035 -0.058 19654 953 1 2 . 1 1 42 42 GLU CA C 42 59.335 59.335 59.196 0.139 19654 954 1 2 . 1 1 42 42 GLU CB C 42 29.176 29.176 28.966 0.210 19654 955 1 2 . 1 1 42 42 GLU H H 42 8.197 8.197 8.744 -0.547 19654 956 1 2 . 1 1 43 43 THR N N 43 116.912 116.912 117.599 -0.687 19654 957 1 2 . 1 1 43 43 THR HA H 43 3.793 3.793 4.132 -0.339 19654 958 1 2 . 1 1 43 43 THR CA C 43 67.517 67.517 66.912 0.605 19654 959 1 2 . 1 1 43 43 THR CB C 43 68.089 68.089 68.918 -0.829 19654 960 1 2 . 1 1 43 43 THR H H 43 8.183 8.183 7.874 0.309 19654 961 1 2 . 1 1 44 44 LEU N N 44 123.099 123.099 121.875 1.224 19654 962 1 2 . 1 1 44 44 LEU HA H 44 3.699 3.699 3.926 -0.227 19654 963 1 2 . 1 1 44 44 LEU CA C 44 58.261 58.261 58.075 0.186 19654 964 1 2 . 1 1 44 44 LEU CB C 44 40.988 40.988 41.397 -0.409 19654 965 1 2 . 1 1 44 44 LEU H H 44 8.509 8.509 8.497 0.012 19654 966 1 2 . 1 1 45 45 ARG N N 45 116.885 116.885 117.552 -0.667 19654 967 1 2 . 1 1 45 45 ARG HA H 45 4.125 4.125 4.362 -0.237 19654 968 1 2 . 1 1 45 45 ARG CA C 45 59.617 59.617 59.135 0.482 19654 969 1 2 . 1 1 45 45 ARG CB C 45 30.423 30.423 29.611 0.812 19654 970 1 2 . 1 1 45 45 ARG H H 45 8.398 8.398 8.434 -0.036 19654 971 1 2 . 1 1 46 46 ARG N N 46 117.297 117.297 120.695 -3.398 19654 972 1 2 . 1 1 46 46 ARG HA H 46 4.229 4.229 4.148 0.081 19654 973 1 2 . 1 1 46 46 ARG CA C 46 58.427 58.427 58.998 -0.571 19654 974 1 2 . 1 1 46 46 ARG CB C 46 30.408 30.408 30.485 -0.077 19654 975 1 2 . 1 1 46 46 ARG H H 46 7.421 7.421 7.597 -0.176 19654 976 1 2 . 1 1 47 47 VAL N N 47 114.304 114.304 113.619 0.685 19654 977 1 2 . 1 1 47 47 VAL HA H 47 4.094 4.094 4.182 -0.088 19654 978 1 2 . 1 1 47 47 VAL CA C 47 63.242 63.242 64.515 -1.273 19654 979 1 2 . 1 1 47 47 VAL CB C 47 32.378 32.378 31.632 0.746 19654 980 1 2 . 1 1 47 47 VAL H H 47 8.515 8.515 8.201 0.314 19654 981 1 2 . 1 1 48 48 GLY N N 48 110.132 110.132 109.160 0.972 19654 982 1 2 . 1 1 48 48 GLY CA C 48 46.588 46.588 47.503 -0.915 19654 983 1 2 . 1 1 48 48 GLY H H 48 8.890 8.890 8.375 0.515 19654 984 1 2 . 1 1 49 49 ASP N N 49 121.292 121.292 123.122 -1.830 19654 985 1 2 . 1 1 49 49 ASP HA H 49 4.456 4.456 4.413 0.043 19654 986 1 2 . 1 1 49 49 ASP CA C 49 57.787 57.787 58.121 -0.334 19654 987 1 2 . 1 1 49 49 ASP CB C 49 40.912 40.912 40.801 0.111 19654 988 1 2 . 1 1 49 49 ASP H H 49 7.392 7.392 7.982 -0.590 19654 989 1 2 . 1 1 50 50 GLY N N 50 106.682 106.682 108.088 -1.406 19654 990 1 2 . 1 1 50 50 GLY CA C 50 46.932 46.932 47.359 -0.427 19654 991 1 2 . 1 1 50 50 GLY H H 50 8.132 8.132 8.198 -0.066 19654 992 1 2 . 1 1 51 51 VAL N N 51 121.747 121.747 123.124 -1.377 19654 993 1 2 . 1 1 51 51 VAL HA H 51 3.944 3.944 3.720 0.224 19654 994 1 2 . 1 1 51 51 VAL CA C 51 66.355 66.355 66.486 -0.131 19654 995 1 2 . 1 1 51 51 VAL CB C 51 31.594 31.594 31.460 0.134 19654 996 1 2 . 1 1 51 51 VAL H H 51 7.476 7.476 7.906 -0.430 19654 997 1 2 . 1 1 52 52 GLN N N 52 118.494 118.494 119.593 -1.099 19654 998 1 2 . 1 1 52 52 GLN HA H 52 3.913 3.913 4.058 -0.145 19654 999 1 2 . 1 1 52 52 GLN CA C 52 60.391 60.391 59.030 1.361 19654 1000 1 2 . 1 1 52 52 GLN CB C 52 29.682 29.682 28.712 0.970 19654 1001 1 2 . 1 1 52 52 GLN H H 52 8.439 8.439 8.592 -0.153 19654 1002 1 2 . 1 1 53 53 ARG N N 53 116.807 116.807 118.655 -1.848 19654 1003 1 2 . 1 1 53 53 ARG HA H 53 4.163 4.163 4.080 0.083 19654 1004 1 2 . 1 1 53 53 ARG CA C 53 59.086 59.086 58.306 0.780 19654 1005 1 2 . 1 1 53 53 ARG CB C 53 30.009 30.009 29.508 0.502 19654 1006 1 2 . 1 1 53 53 ARG H H 53 7.873 7.873 8.289 -0.416 19654 1007 1 2 . 1 1 54 54 ASN N N 54 116.356 116.356 117.589 -1.233 19654 1008 1 2 . 1 1 54 54 ASN HA H 54 4.448 4.448 4.585 -0.137 19654 1009 1 2 . 1 1 54 54 ASN CA C 54 54.694 54.694 55.462 -0.768 19654 1010 1 2 . 1 1 54 54 ASN CB C 54 38.302 38.302 38.480 -0.178 19654 1011 1 2 . 1 1 54 54 ASN H H 54 8.123 8.123 8.315 -0.192 19654 1012 1 2 . 1 1 55 55 HIS N N 55 114.809 114.809 118.270 -3.461 19654 1013 1 2 . 1 1 55 55 HIS HA H 55 4.504 4.504 4.338 0.166 19654 1014 1 2 . 1 1 55 55 HIS CA C 55 55.949 55.949 57.827 -1.878 19654 1015 1 2 . 1 1 55 55 HIS CB C 55 28.341 28.341 30.289 -1.948 19654 1016 1 2 . 1 1 55 55 HIS H H 55 7.558 7.558 8.494 -0.936 19654 1017 1 2 . 1 1 56 56 GLU N N 56 121.943 121.943 120.713 1.230 19654 1018 1 2 . 1 1 56 56 GLU HA H 56 3.640 3.640 3.544 0.096 19654 1019 1 2 . 1 1 56 56 GLU CA C 56 61.360 61.360 60.247 1.113 19654 1020 1 2 . 1 1 56 56 GLU CB C 56 30.006 30.006 29.218 0.788 19654 1021 1 2 . 1 1 56 56 GLU H H 56 7.071 7.071 8.445 -1.374 19654 1022 1 2 . 1 1 57 57 THR N N 57 112.827 112.827 113.291 -0.464 19654 1023 1 2 . 1 1 57 57 THR HA H 57 3.984 3.984 4.119 -0.135 19654 1024 1 2 . 1 1 57 57 THR CA C 57 66.247 66.247 65.133 1.114 19654 1025 1 2 . 1 1 57 57 THR CB C 57 68.002 68.002 68.537 -0.535 19654 1026 1 2 . 1 1 57 57 THR H H 57 8.324 8.324 8.323 0.001 19654 1027 1 2 . 1 1 58 58 ALA N N 58 126.520 126.520 123.599 2.921 19654 1028 1 2 . 1 1 58 58 ALA HA H 58 4.147 4.147 4.124 0.023 19654 1029 1 2 . 1 1 58 58 ALA CA C 58 54.707 54.707 54.328 0.379 19654 1030 1 2 . 1 1 58 58 ALA CB C 58 17.734 17.734 18.131 -0.397 19654 1031 1 2 . 1 1 58 58 ALA H H 58 7.910 7.910 7.380 0.530 19654 1032 1 2 . 1 1 59 59 PHE N N 59 119.326 119.326 117.236 2.090 19654 1033 1 2 . 1 1 59 59 PHE HA H 59 4.518 4.518 4.419 0.099 19654 1034 1 2 . 1 1 59 59 PHE CA C 59 56.946 56.946 59.509 -2.563 19654 1035 1 2 . 1 1 59 59 PHE CB C 59 34.583 34.583 38.514 -3.931 19654 1036 1 2 . 1 1 59 59 PHE H H 59 9.017 9.017 7.807 1.210 19654 1037 1 2 . 1 1 60 60 GLN N N 60 119.670 119.670 119.130 0.540 19654 1038 1 2 . 1 1 60 60 GLN HA H 60 4.232 4.232 4.216 0.016 19654 1039 1 2 . 1 1 60 60 GLN CA C 60 59.359 59.359 59.756 -0.397 19654 1040 1 2 . 1 1 60 60 GLN CB C 60 28.009 28.009 27.866 0.143 19654 1041 1 2 . 1 1 60 60 GLN H H 60 8.678 8.678 8.707 -0.029 19654 1042 1 2 . 1 1 61 61 GLY N N 61 106.140 106.140 105.942 0.198 19654 1043 1 2 . 1 1 61 61 GLY CA C 61 47.085 47.085 46.852 0.233 19654 1044 1 2 . 1 1 61 61 GLY H H 61 7.975 7.975 8.256 -0.281 19654 1045 1 2 . 1 1 62 62 MET N N 62 120.973 120.973 119.044 1.929 19654 1046 1 2 . 1 1 62 62 MET HA H 62 4.080 4.080 4.540 -0.460 19654 1047 1 2 . 1 1 62 62 MET CA C 62 58.752 58.752 57.562 1.190 19654 1048 1 2 . 1 1 62 62 MET CB C 62 33.824 33.824 33.379 0.445 19654 1049 1 2 . 1 1 62 62 MET H H 62 8.007 8.007 7.687 0.320 19654 1050 1 2 . 1 1 63 63 LEU N N 63 119.043 119.043 122.310 -3.267 19654 1051 1 2 . 1 1 63 63 LEU HA H 63 4.139 4.139 4.005 0.134 19654 1052 1 2 . 1 1 63 63 LEU CA C 63 57.645 57.645 58.387 -0.742 19654 1053 1 2 . 1 1 63 63 LEU CB C 63 42.173 42.173 41.795 0.378 19654 1054 1 2 . 1 1 63 63 LEU H H 63 8.394 8.394 8.742 -0.348 19654 1055 1 2 . 1 1 64 64 ARG N N 64 117.294 117.294 115.239 2.055 19654 1056 1 2 . 1 1 64 64 ARG HA H 64 4.090 4.090 3.997 0.093 19654 1057 1 2 . 1 1 64 64 ARG CA C 64 58.551 58.551 58.535 0.016 19654 1058 1 2 . 1 1 64 64 ARG CB C 64 29.772 29.772 30.010 -0.238 19654 1059 1 2 . 1 1 64 64 ARG H H 64 7.912 7.912 7.888 0.024 19654 1060 1 2 . 1 1 65 65 LYS N N 65 116.840 116.840 117.987 -1.147 19654 1061 1 2 . 1 1 65 65 LYS HA H 65 4.165 4.165 4.377 -0.212 19654 1062 1 2 . 1 1 65 65 LYS CA C 65 57.175 57.175 56.904 0.271 19654 1063 1 2 . 1 1 65 65 LYS CB C 65 32.299 32.299 32.821 -0.522 19654 1064 1 2 . 1 1 65 65 LYS H H 65 7.506 7.506 7.699 -0.193 19654 1065 1 2 . 1 1 66 66 LEU N N 66 119.257 119.257 120.664 -1.407 19654 1066 1 2 . 1 1 66 66 LEU HA H 66 4.232 4.232 4.335 -0.103 19654 1067 1 2 . 1 1 66 66 LEU CA C 66 55.442 55.442 56.212 -0.770 19654 1068 1 2 . 1 1 66 66 LEU CB C 66 43.042 43.042 43.060 -0.019 19654 1069 1 2 . 1 1 66 66 LEU H H 66 7.736 7.736 7.639 0.097 19654 1070 1 2 . 1 1 67 67 ASP N N 67 119.743 119.743 114.356 5.387 19654 1071 1 2 . 1 1 67 67 ASP HA H 67 4.457 4.457 4.332 0.125 19654 1072 1 2 . 1 1 67 67 ASP CA C 67 53.850 53.850 57.093 -3.244 19654 1073 1 2 . 1 1 67 67 ASP CB C 67 40.195 40.195 40.774 -0.579 19654 1074 1 2 . 1 1 67 67 ASP H H 67 8.068 8.068 7.905 0.163 19654 1075 1 2 . 1 1 68 68 ILE N N 68 120.055 120.055 117.580 2.475 19654 1076 1 2 . 1 1 68 68 ILE HA H 68 3.870 3.870 3.920 -0.050 19654 1077 1 2 . 1 1 68 68 ILE CA C 68 61.524 61.524 62.049 -0.525 19654 1078 1 2 . 1 1 68 68 ILE CB C 68 37.986 37.986 37.148 0.838 19654 1079 1 2 . 1 1 68 68 ILE H H 68 8.275 8.275 8.161 0.114 19654 1080 1 2 . 1 1 69 69 LYS N N 69 126.186 126.186 123.990 2.196 19654 1081 1 2 . 1 1 69 69 LYS HA H 69 4.481 4.481 4.338 0.143 19654 1082 1 2 . 1 1 69 69 LYS CA C 69 56.304 56.304 56.395 -0.091 19654 1083 1 2 . 1 1 69 69 LYS CB C 69 34.136 34.136 33.613 0.523 19654 1084 1 2 . 1 1 69 69 LYS H H 69 9.722 9.722 9.071 0.651 19654 1085 1 2 . 1 1 70 70 ASN N N 70 115.056 115.056 115.705 -0.649 19654 1086 1 2 . 1 1 70 70 ASN HA H 70 4.700 4.700 4.795 -0.095 19654 1087 1 2 . 1 1 70 70 ASN CA C 70 51.977 51.977 52.291 -0.314 19654 1088 1 2 . 1 1 70 70 ASN CB C 70 39.474 39.474 39.428 0.046 19654 1089 1 2 . 1 1 70 70 ASN H H 70 7.959 7.959 8.045 -0.086 19654 1090 1 2 . 1 1 71 71 GLU N N 71 118.214 118.214 119.399 -1.185 19654 1091 1 2 . 1 1 71 71 GLU HA H 71 3.967 3.967 3.882 0.085 19654 1092 1 2 . 1 1 71 71 GLU CA C 71 59.354 59.354 60.201 -0.847 19654 1093 1 2 . 1 1 71 71 GLU CB C 71 29.520 29.520 29.610 -0.090 19654 1094 1 2 . 1 1 71 71 GLU H H 71 8.831 8.831 8.906 -0.075 19654 1095 1 2 . 1 1 72 72 ASP N N 72 120.319 120.319 118.439 1.880 19654 1096 1 2 . 1 1 72 72 ASP HA H 72 4.422 4.422 4.352 0.070 19654 1097 1 2 . 1 1 72 72 ASP CA C 72 57.036 57.036 57.553 -0.517 19654 1098 1 2 . 1 1 72 72 ASP CB C 72 39.945 39.945 40.734 -0.790 19654 1099 1 2 . 1 1 72 72 ASP H H 72 8.167 8.167 8.032 0.135 19654 1100 1 2 . 1 1 73 73 ASP N N 73 119.793 119.793 119.684 0.109 19654 1101 1 2 . 1 1 73 73 ASP HA H 73 4.521 4.521 4.423 0.098 19654 1102 1 2 . 1 1 73 73 ASP CA C 73 56.337 56.337 57.306 -0.969 19654 1103 1 2 . 1 1 73 73 ASP CB C 73 41.927 41.927 40.673 1.254 19654 1104 1 2 . 1 1 73 73 ASP H H 73 8.153 8.153 7.795 0.358 19654 1105 1 2 . 1 1 74 74 VAL N N 74 117.572 117.572 120.738 -3.166 19654 1106 1 2 . 1 1 74 74 VAL HA H 74 3.714 3.714 3.556 0.158 19654 1107 1 2 . 1 1 74 74 VAL CA C 74 65.498 65.498 66.563 -1.065 19654 1108 1 2 . 1 1 74 74 VAL CB C 74 31.077 31.077 31.617 -0.540 19654 1109 1 2 . 1 1 74 74 VAL H H 74 7.629 7.629 7.467 0.162 19654 1110 1 2 . 1 1 75 75 LYS N N 75 119.403 119.403 117.905 1.498 19654 1111 1 2 . 1 1 75 75 LYS HA H 75 4.154 4.154 4.056 0.098 19654 1112 1 2 . 1 1 75 75 LYS CA C 75 59.034 59.034 59.237 -0.203 19654 1113 1 2 . 1 1 75 75 LYS CB C 75 31.909 31.909 32.100 -0.191 19654 1114 1 2 . 1 1 75 75 LYS H H 75 7.961 7.961 8.314 -0.353 19654 1115 1 2 . 1 1 76 76 SER N N 76 114.355 114.355 116.180 -1.825 19654 1116 1 2 . 1 1 76 76 SER HA H 76 4.453 4.453 4.261 0.192 19654 1117 1 2 . 1 1 76 76 SER CA C 76 60.061 60.061 61.402 -1.341 19654 1118 1 2 . 1 1 76 76 SER CB C 76 63.023 63.023 63.126 -0.103 19654 1119 1 2 . 1 1 76 76 SER H H 76 7.919 7.919 7.878 0.041 19654 1120 1 2 . 1 1 77 77 LEU N N 77 121.954 121.954 121.563 0.391 19654 1121 1 2 . 1 1 77 77 LEU HA H 77 4.230 4.230 4.075 0.155 19654 1122 1 2 . 1 1 77 77 LEU CA C 77 56.764 56.764 57.480 -0.716 19654 1123 1 2 . 1 1 77 77 LEU CB C 77 41.695 41.695 41.608 0.087 19654 1124 1 2 . 1 1 77 77 LEU H H 77 7.883 7.883 8.300 -0.417 19654 1125 1 2 . 1 1 78 78 SER N N 78 115.268 115.268 114.088 1.180 19654 1126 1 2 . 1 1 78 78 SER HA H 78 3.962 3.962 4.062 -0.100 19654 1127 1 2 . 1 1 78 78 SER CA C 78 62.337 62.337 61.693 0.644 19654 1128 1 2 . 1 1 78 78 SER CB C 78 62.218 62.218 62.930 -0.712 19654 1129 1 2 . 1 1 78 78 SER H H 78 8.185 8.185 7.879 0.306 19654 1130 1 2 . 1 1 79 79 ARG N N 79 119.021 119.021 119.716 -0.695 19654 1131 1 2 . 1 1 79 79 ARG HA H 79 4.090 4.090 4.072 0.018 19654 1132 1 2 . 1 1 79 79 ARG CA C 79 58.849 58.849 58.611 0.238 19654 1133 1 2 . 1 1 79 79 ARG CB C 79 29.930 29.930 29.859 0.071 19654 1134 1 2 . 1 1 79 79 ARG H H 79 7.684 7.684 7.716 -0.032 19654 1135 1 2 . 1 1 80 80 VAL N N 80 116.979 116.979 120.091 -3.112 19654 1136 1 2 . 1 1 80 80 VAL HA H 80 3.953 3.953 4.107 -0.154 19654 1137 1 2 . 1 1 80 80 VAL CA C 80 64.228 64.228 65.430 -1.202 19654 1138 1 2 . 1 1 80 80 VAL CB C 80 32.210 32.210 32.172 0.038 19654 1139 1 2 . 1 1 80 80 VAL H H 80 7.479 7.479 7.939 -0.460 19654 1140 1 2 . 1 1 81 81 MET N N 81 117.822 117.822 119.384 -1.562 19654 1141 1 2 . 1 1 81 81 MET HA H 81 4.053 4.053 4.095 -0.042 19654 1142 1 2 . 1 1 81 81 MET CA C 81 58.322 58.322 57.608 0.714 19654 1143 1 2 . 1 1 81 81 MET CB C 81 32.555 32.555 31.473 1.082 19654 1144 1 2 . 1 1 81 81 MET H H 81 8.104 8.104 8.170 -0.066 19654 1145 1 2 . 1 1 82 82 ILE N N 82 116.348 116.348 117.890 -1.542 19654 1146 1 2 . 1 1 82 82 ILE HA H 82 3.815 3.815 3.712 0.103 19654 1147 1 2 . 1 1 82 82 ILE CA C 82 63.653 63.653 64.851 -1.198 19654 1148 1 2 . 1 1 82 82 ILE CB C 82 37.879 37.879 37.364 0.515 19654 1149 1 2 . 1 1 82 82 ILE H H 82 7.789 7.789 8.245 -0.456 19654 1150 1 2 . 1 1 83 83 HIS N N 83 118.994 118.994 118.606 0.388 19654 1151 1 2 . 1 1 83 83 HIS HA H 83 4.409 4.409 4.408 0.001 19654 1152 1 2 . 1 1 83 83 HIS CA C 83 58.245 58.245 59.342 -1.097 19654 1153 1 2 . 1 1 83 83 HIS CB C 83 29.735 29.735 29.303 0.432 19654 1154 1 2 . 1 1 83 83 HIS H H 83 7.543 7.543 7.619 -0.076 19654 1155 1 2 . 1 1 84 84 VAL N N 84 117.112 117.112 119.205 -2.093 19654 1156 1 2 . 1 1 84 84 VAL HA H 84 3.631 3.631 3.685 -0.054 19654 1157 1 2 . 1 1 84 84 VAL CA C 84 64.628 64.628 65.515 -0.887 19654 1158 1 2 . 1 1 84 84 VAL CB C 84 31.904 31.904 31.509 0.395 19654 1159 1 2 . 1 1 84 84 VAL H H 84 7.713 7.713 7.433 0.280 19654 1160 1 2 . 1 1 85 85 PHE N N 85 115.531 115.531 117.116 -1.585 19654 1161 1 2 . 1 1 85 85 PHE HA H 85 4.733 4.733 4.628 0.105 19654 1162 1 2 . 1 1 85 85 PHE CA C 85 57.326 57.326 56.382 0.944 19654 1163 1 2 . 1 1 85 85 PHE CB C 85 39.507 39.507 37.342 2.165 19654 1164 1 2 . 1 1 85 85 PHE H H 85 7.743 7.743 7.428 0.316 19654 1165 1 2 . 1 1 86 86 SER N N 86 114.812 114.812 117.124 -2.312 19654 1166 1 2 . 1 1 86 86 SER HA H 86 4.275 4.275 4.223 0.052 19654 1167 1 2 . 1 1 86 86 SER CA C 86 59.832 59.832 61.142 -1.310 19654 1168 1 2 . 1 1 86 86 SER CB C 86 63.482 63.482 63.454 0.028 19654 1169 1 2 . 1 1 86 86 SER H H 86 7.634 7.634 7.688 -0.054 19654 1170 1 2 . 1 1 87 87 ASP N N 87 120.986 120.986 121.427 -0.441 19654 1171 1 2 . 1 1 87 87 ASP HA H 87 4.491 4.491 4.579 -0.088 19654 1172 1 2 . 1 1 87 87 ASP CA C 87 54.032 54.032 55.334 -1.302 19654 1173 1 2 . 1 1 87 87 ASP CB C 87 40.411 40.411 41.137 -0.726 19654 1174 1 2 . 1 1 87 87 ASP H H 87 8.043 8.043 7.984 0.059 19654 1175 1 2 . 1 1 88 88 GLY N N 88 108.171 108.171 109.678 -1.507 19654 1176 1 2 . 1 1 88 88 GLY CA C 88 44.981 44.981 44.985 -0.004 19654 1177 1 2 . 1 1 88 88 GLY H H 88 8.163 8.163 8.403 -0.240 19654 1178 1 2 . 1 1 89 89 VAL N N 89 121.716 121.716 114.673 7.043 19654 1179 1 2 . 1 1 89 89 VAL HA H 89 3.879 3.879 3.979 -0.100 19654 1180 1 2 . 1 1 89 89 VAL CA C 89 62.471 62.471 58.923 3.548 19654 1181 1 2 . 1 1 89 89 VAL CB C 89 32.418 32.418 33.909 -1.491 19654 1182 1 2 . 1 1 89 89 VAL H H 89 7.886 7.886 6.863 1.023 19654 1183 1 2 . 1 1 90 90 THR N N 90 121.669 121.669 114.151 7.518 19654 1184 1 2 . 1 1 90 90 THR HA H 90 3.657 3.657 3.469 0.188 19654 1185 1 2 . 1 1 90 90 THR CA C 90 62.473 62.473 62.113 0.360 19654 1186 1 2 . 1 1 90 90 THR CB C 90 68.528 68.528 68.004 0.524 19654 1187 1 2 . 1 1 90 90 THR H H 90 8.201 8.201 7.785 0.416 19654 1188 1 2 . 1 1 91 91 ASN HA H 91 4.162 4.162 4.493 -0.331 19654 1189 1 2 . 1 1 91 91 ASN CA C 91 51.748 51.748 52.838 -1.090 19654 1190 1 2 . 1 1 91 91 ASN CB C 91 39.645 39.645 36.581 3.064 19654 1191 1 2 . 1 1 91 91 ASN H H 91 8.826 8.826 7.964 0.862 19654 1192 1 2 . 1 1 92 92 TRP N N 92 118.437 118.437 123.333 -4.896 19654 1193 1 2 . 1 1 92 92 TRP HA H 92 4.739 4.739 4.297 0.442 19654 1194 1 2 . 1 1 92 92 TRP CA C 92 60.233 60.233 59.750 0.483 19654 1195 1 2 . 1 1 92 92 TRP CB C 92 30.167 30.167 28.720 1.447 19654 1196 1 2 . 1 1 92 92 TRP H H 92 8.942 8.942 8.000 0.942 19654 1197 1 2 . 1 1 93 93 GLY N N 93 108.154 108.154 107.476 0.678 19654 1198 1 2 . 1 1 93 93 GLY CA C 93 47.544 47.544 46.828 0.716 19654 1199 1 2 . 1 1 93 93 GLY H H 93 8.697 8.697 8.722 -0.025 19654 1200 1 2 . 1 1 94 94 ARG N N 94 122.547 122.547 121.098 1.449 19654 1201 1 2 . 1 1 94 94 ARG HA H 94 4.072 4.072 4.152 -0.080 19654 1202 1 2 . 1 1 94 94 ARG CA C 94 58.556 58.556 57.956 0.600 19654 1203 1 2 . 1 1 94 94 ARG CB C 94 30.201 30.201 29.328 0.873 19654 1204 1 2 . 1 1 94 94 ARG H H 94 8.353 8.353 7.927 0.426 19654 1205 1 2 . 1 1 95 95 ILE N N 95 120.130 120.130 120.206 -0.076 19654 1206 1 2 . 1 1 95 95 ILE HA H 95 3.708 3.708 4.000 -0.292 19654 1207 1 2 . 1 1 95 95 ILE CA C 95 65.511 65.511 64.016 1.495 19654 1208 1 2 . 1 1 95 95 ILE CB C 95 37.486 37.486 36.936 0.550 19654 1209 1 2 . 1 1 95 95 ILE H H 95 7.545 7.545 7.851 -0.306 19654 1210 1 2 . 1 1 96 96 VAL N N 96 119.403 119.403 120.228 -0.825 19654 1211 1 2 . 1 1 96 96 VAL HA H 96 3.723 3.723 3.760 -0.037 19654 1212 1 2 . 1 1 96 96 VAL CA C 96 67.249 67.249 67.466 -0.217 19654 1213 1 2 . 1 1 96 96 VAL CB C 96 31.001 31.001 31.294 -0.293 19654 1214 1 2 . 1 1 96 96 VAL H H 96 8.990 8.990 7.957 1.033 19654 1215 1 2 . 1 1 97 97 THR N N 97 122.016 122.016 116.867 5.149 19654 1216 1 2 . 1 1 97 97 THR HA H 97 3.784 3.784 3.970 -0.186 19654 1217 1 2 . 1 1 97 97 THR CA C 97 68.159 68.159 67.476 0.683 19654 1218 1 2 . 1 1 97 97 THR CB C 97 67.212 67.212 68.649 -1.437 19654 1219 1 2 . 1 1 97 97 THR H H 97 8.605 8.605 8.200 0.405 19654 1220 1 2 . 1 1 98 98 LEU N N 98 122.476 122.476 123.596 -1.120 19654 1221 1 2 . 1 1 98 98 LEU HA H 98 3.805 3.805 4.052 -0.247 19654 1222 1 2 . 1 1 98 98 LEU CA C 98 58.818 58.818 58.429 0.389 19654 1223 1 2 . 1 1 98 98 LEU CB C 98 41.158 41.158 41.763 -0.605 19654 1224 1 2 . 1 1 98 98 LEU H H 98 7.769 7.769 8.237 -0.468 19654 1225 1 2 . 1 1 99 99 ILE N N 99 117.997 117.997 118.035 -0.038 19654 1226 1 2 . 1 1 99 99 ILE HA H 99 3.509 3.509 3.716 -0.207 19654 1227 1 2 . 1 1 99 99 ILE CA C 99 66.261 66.261 65.507 0.754 19654 1228 1 2 . 1 1 99 99 ILE CB C 99 38.350 38.350 37.337 1.013 19654 1229 1 2 . 1 1 99 99 ILE H H 99 8.175 8.175 8.045 0.130 19654 1230 1 2 . 1 1 100 100 SER N N 100 116.934 116.934 117.194 -0.260 19654 1231 1 2 . 1 1 100 100 SER HA H 100 4.447 4.447 4.403 0.044 19654 1232 1 2 . 1 1 100 100 SER CA C 100 63.290 63.290 61.636 1.654 19654 1233 1 2 . 1 1 100 100 SER CB C 100 62.867 62.867 62.890 -0.023 19654 1234 1 2 . 1 1 100 100 SER H H 100 8.989 8.989 8.450 0.539 19654 1235 1 2 . 1 1 101 101 PHE N N 101 124.640 124.640 122.000 2.640 19654 1236 1 2 . 1 1 101 101 PHE HA H 101 3.420 3.420 4.040 -0.620 19654 1237 1 2 . 1 1 101 101 PHE CA C 101 60.499 60.499 59.739 0.760 19654 1238 1 2 . 1 1 101 101 PHE CB C 101 37.333 37.333 38.459 -1.126 19654 1239 1 2 . 1 1 101 101 PHE H H 101 8.513 8.513 8.540 -0.027 19654 1240 1 2 . 1 1 102 102 GLY N N 102 106.116 106.116 107.337 -1.221 19654 1241 1 2 . 1 1 102 102 GLY CA C 102 48.166 48.166 47.056 1.110 19654 1242 1 2 . 1 1 102 102 GLY H H 102 8.111 8.111 8.339 -0.228 19654 1243 1 2 . 1 1 103 103 ALA N N 103 124.560 124.560 124.588 -0.028 19654 1244 1 2 . 1 1 103 103 ALA HA H 103 3.780 3.780 3.929 -0.149 19654 1245 1 2 . 1 1 103 103 ALA CA C 103 55.646 55.646 54.735 0.911 19654 1246 1 2 . 1 1 103 103 ALA CB C 103 18.476 18.476 18.498 -0.023 19654 1247 1 2 . 1 1 103 103 ALA H H 103 8.437 8.437 8.328 0.109 19654 1248 1 2 . 1 1 104 104 PHE N N 104 120.981 120.981 120.064 0.917 19654 1249 1 2 . 1 1 104 104 PHE HA H 104 3.989 3.989 4.171 -0.182 19654 1250 1 2 . 1 1 104 104 PHE CA C 104 62.258 62.258 60.590 1.668 19654 1251 1 2 . 1 1 104 104 PHE CB C 104 39.949 39.949 39.214 0.735 19654 1252 1 2 . 1 1 104 104 PHE H H 104 8.213 8.213 8.157 0.056 19654 1253 1 2 . 1 1 105 105 VAL N N 105 120.473 120.473 119.190 1.283 19654 1254 1 2 . 1 1 105 105 VAL HA H 105 3.236 3.236 3.284 -0.048 19654 1255 1 2 . 1 1 105 105 VAL CA C 105 66.348 66.348 66.442 -0.094 19654 1256 1 2 . 1 1 105 105 VAL CB C 105 30.720 30.720 30.866 -0.146 19654 1257 1 2 . 1 1 105 105 VAL H H 105 8.513 8.513 8.189 0.324 19654 1258 1 2 . 1 1 106 106 ALA N N 106 123.948 123.948 122.987 0.961 19654 1259 1 2 . 1 1 106 106 ALA HA H 106 3.660 3.660 3.805 -0.145 19654 1260 1 2 . 1 1 106 106 ALA CA C 106 55.607 55.607 55.476 0.131 19654 1261 1 2 . 1 1 106 106 ALA CB C 106 18.003 18.003 18.001 0.002 19654 1262 1 2 . 1 1 106 106 ALA H H 106 8.807 8.807 8.103 0.704 19654 1263 1 2 . 1 1 107 107 LYS N N 107 115.836 115.836 118.316 -2.480 19654 1264 1 2 . 1 1 107 107 LYS HA H 107 3.733 3.733 3.855 -0.122 19654 1265 1 2 . 1 1 107 107 LYS CA C 107 60.462 60.462 59.859 0.603 19654 1266 1 2 . 1 1 107 107 LYS CB C 107 31.907 31.907 32.135 -0.228 19654 1267 1 2 . 1 1 107 107 LYS H H 107 7.934 7.934 7.799 0.135 19654 1268 1 2 . 1 1 108 108 HIS N N 108 120.459 120.459 119.327 1.132 19654 1269 1 2 . 1 1 108 108 HIS HA H 108 4.212 4.212 4.242 -0.030 19654 1270 1 2 . 1 1 108 108 HIS CA C 108 59.623 59.623 59.423 0.200 19654 1271 1 2 . 1 1 108 108 HIS CB C 108 29.838 29.838 29.597 0.241 19654 1272 1 2 . 1 1 108 108 HIS H H 108 7.254 7.254 7.291 -0.037 19654 1273 1 2 . 1 1 109 109 LEU N N 109 118.336 118.336 120.507 -2.171 19654 1274 1 2 . 1 1 109 109 LEU HA H 109 3.640 3.640 3.792 -0.152 19654 1275 1 2 . 1 1 109 109 LEU CA C 109 56.945 56.945 58.121 -1.176 19654 1276 1 2 . 1 1 109 109 LEU CB C 109 39.709 39.709 41.633 -1.924 19654 1277 1 2 . 1 1 109 109 LEU H H 109 8.709 8.709 8.581 0.128 19654 1278 1 2 . 1 1 110 110 LYS N N 110 118.036 118.036 118.862 -0.826 19654 1279 1 2 . 1 1 110 110 LYS HA H 110 3.944 3.944 3.916 0.028 19654 1280 1 2 . 1 1 110 110 LYS CA C 110 58.967 58.967 59.609 -0.642 19654 1281 1 2 . 1 1 110 110 LYS CB C 110 32.220 32.220 32.264 -0.044 19654 1282 1 2 . 1 1 110 110 LYS H H 110 7.752 7.752 8.226 -0.474 19654 1283 1 2 . 1 1 111 111 THR N N 111 115.985 115.985 116.379 -0.394 19654 1284 1 2 . 1 1 111 111 THR HA H 111 3.990 3.990 3.988 0.002 19654 1285 1 2 . 1 1 111 111 THR CA C 111 65.921 65.921 66.013 -0.091 19654 1286 1 2 . 1 1 111 111 THR CB C 111 68.611 68.611 68.757 -0.146 19654 1287 1 2 . 1 1 111 111 THR H H 111 7.832 7.832 7.718 0.114 19654 1288 1 2 . 1 1 112 112 ILE N N 112 112.606 112.606 113.740 -1.134 19654 1289 1 2 . 1 1 112 112 ILE HA H 112 4.454 4.454 4.165 0.289 19654 1290 1 2 . 1 1 112 112 ILE CA C 112 60.922 60.922 61.215 -0.292 19654 1291 1 2 . 1 1 112 112 ILE CB C 112 36.813 36.813 37.413 -0.600 19654 1292 1 2 . 1 1 112 112 ILE H H 112 7.262 7.262 7.687 -0.425 19654 1293 1 2 . 1 1 113 113 ASN N N 113 116.297 116.297 115.662 0.635 19654 1294 1 2 . 1 1 113 113 ASN HA H 113 4.576 4.576 4.389 0.187 19654 1295 1 2 . 1 1 113 113 ASN CA C 113 54.653 54.653 54.991 -0.338 19654 1296 1 2 . 1 1 113 113 ASN CB C 113 36.497 36.497 36.270 0.227 19654 1297 1 2 . 1 1 113 113 ASN H H 113 7.816 7.816 7.966 -0.150 19654 1298 1 2 . 1 1 114 114 GLN N N 114 117.958 117.958 116.908 1.050 19654 1299 1 2 . 1 1 114 114 GLN HA H 114 4.739 4.739 4.474 0.265 19654 1300 1 2 . 1 1 114 114 GLN CA C 114 54.079 54.079 54.551 -0.472 19654 1301 1 2 . 1 1 114 114 GLN CB C 114 28.840 28.840 27.346 1.494 19654 1302 1 2 . 1 1 114 114 GLN H H 114 8.522 8.522 8.316 0.206 19654 1303 1 2 . 1 1 115 115 GLU N N 115 120.597 120.597 121.672 -1.075 19654 1304 1 2 . 1 1 115 115 GLU HA H 115 3.646 3.646 3.908 -0.262 19654 1305 1 2 . 1 1 115 115 GLU CA C 115 59.569 59.569 59.824 -0.255 19654 1306 1 2 . 1 1 115 115 GLU CB C 115 29.061 29.061 29.388 -0.327 19654 1307 1 2 . 1 1 115 115 GLU H H 115 8.881 8.881 7.770 1.111 19654 1308 1 2 . 1 1 116 116 SER N N 116 115.352 115.352 114.535 0.817 19654 1309 1 2 . 1 1 116 116 SER HA H 116 4.250 4.250 4.157 0.093 19654 1310 1 2 . 1 1 116 116 SER CA C 116 60.593 60.593 60.927 -0.334 19654 1311 1 2 . 1 1 116 116 SER CB C 116 62.231 62.231 62.770 -0.539 19654 1312 1 2 . 1 1 116 116 SER H H 116 8.702 8.702 8.535 0.167 19654 1313 1 2 . 1 1 117 117 SER N N 117 116.944 116.944 118.814 -1.870 19654 1314 1 2 . 1 1 117 117 SER HA H 117 4.461 4.461 4.176 0.285 19654 1315 1 2 . 1 1 117 117 SER CA C 117 60.219 60.219 60.585 -0.366 19654 1316 1 2 . 1 1 117 117 SER CB C 117 64.116 64.116 62.989 1.127 19654 1317 1 2 . 1 1 117 117 SER H H 117 7.963 7.963 7.677 0.286 19654 1318 1 2 . 1 1 118 118 ILE N N 118 122.505 122.505 121.724 0.781 19654 1319 1 2 . 1 1 118 118 ILE HA H 118 3.419 3.419 3.558 -0.139 19654 1320 1 2 . 1 1 118 118 ILE CA C 118 66.227 66.227 65.460 0.767 19654 1321 1 2 . 1 1 118 118 ILE CB C 118 36.723 36.723 37.608 -0.885 19654 1322 1 2 . 1 1 118 118 ILE H H 118 7.945 7.945 7.578 0.367 19654 1323 1 2 . 1 1 119 119 GLU N N 119 119.604 119.604 119.316 0.288 19654 1324 1 2 . 1 1 119 119 GLU HA H 119 4.244 4.244 4.141 0.103 19654 1325 1 2 . 1 1 119 119 GLU CA C 119 61.540 61.540 61.201 0.339 19654 1326 1 2 . 1 1 119 119 GLU CB C 119 26.092 26.092 27.680 -1.588 19654 1327 1 2 . 1 1 119 119 GLU H H 119 8.244 8.244 7.862 0.382 19654 1328 1 2 . 1 1 120 120 PRO HA H 120 4.446 4.446 4.278 0.168 19654 1329 1 2 . 1 1 120 120 PRO CA C 120 65.583 65.583 65.406 0.177 19654 1330 1 2 . 1 1 120 120 PRO CB C 120 30.167 30.167 31.380 -1.213 19654 1331 1 2 . 1 1 121 121 LEU N N 121 120.974 120.974 120.371 0.603 19654 1332 1 2 . 1 1 121 121 LEU HA H 121 3.990 3.990 4.090 -0.100 19654 1333 1 2 . 1 1 121 121 LEU CA C 121 58.436 58.436 57.581 0.855 19654 1334 1 2 . 1 1 121 121 LEU CB C 121 40.988 40.988 41.749 -0.761 19654 1335 1 2 . 1 1 121 121 LEU H H 121 7.587 7.587 8.133 -0.546 19654 1336 1 2 . 1 1 122 122 ALA N N 122 121.982 121.982 121.375 0.607 19654 1337 1 2 . 1 1 122 122 ALA HA H 122 3.743 3.743 3.894 -0.151 19654 1338 1 2 . 1 1 122 122 ALA CA C 122 55.233 55.233 55.293 -0.060 19654 1339 1 2 . 1 1 122 122 ALA CB C 122 17.687 17.687 17.856 -0.169 19654 1340 1 2 . 1 1 122 122 ALA H H 122 8.593 8.593 8.297 0.296 19654 1341 1 2 . 1 1 123 123 GLU N N 123 120.516 120.516 118.500 2.016 19654 1342 1 2 . 1 1 123 123 GLU HA H 123 3.862 3.862 3.893 -0.031 19654 1343 1 2 . 1 1 123 123 GLU CA C 123 59.995 59.995 59.491 0.504 19654 1344 1 2 . 1 1 123 123 GLU CB C 123 29.298 29.298 29.546 -0.248 19654 1345 1 2 . 1 1 123 123 GLU H H 123 8.568 8.568 8.250 0.318 19654 1346 1 2 . 1 1 124 124 SER N N 124 116.054 116.054 116.104 -0.050 19654 1347 1 2 . 1 1 124 124 SER HA H 124 4.367 4.367 4.254 0.113 19654 1348 1 2 . 1 1 124 124 SER CA C 124 62.240 62.240 62.404 -0.164 19654 1349 1 2 . 1 1 124 124 SER CB C 124 63.074 63.074 62.806 0.268 19654 1350 1 2 . 1 1 124 124 SER H H 124 8.282 8.282 7.964 0.318 19654 1351 1 2 . 1 1 125 125 ILE N N 125 120.575 120.575 122.038 -1.463 19654 1352 1 2 . 1 1 125 125 ILE HA H 125 3.627 3.627 3.825 -0.198 19654 1353 1 2 . 1 1 125 125 ILE CA C 125 64.655 64.655 64.597 0.058 19654 1354 1 2 . 1 1 125 125 ILE CB C 125 37.413 37.413 36.846 0.567 19654 1355 1 2 . 1 1 125 125 ILE H H 125 8.343 8.343 8.516 -0.173 19654 1356 1 2 . 1 1 126 126 THR N N 126 116.459 116.459 115.902 0.557 19654 1357 1 2 . 1 1 126 126 THR HA H 126 3.482 3.482 4.058 -0.576 19654 1358 1 2 . 1 1 126 126 THR CA C 126 68.679 68.679 67.198 1.481 19654 1359 1 2 . 1 1 126 126 THR CB C 126 67.075 67.075 68.001 -0.926 19654 1360 1 2 . 1 1 126 126 THR H H 126 8.056 8.056 8.289 -0.233 19654 1361 1 2 . 1 1 127 127 ASP N N 127 120.236 120.236 122.282 -2.046 19654 1362 1 2 . 1 1 127 127 ASP HA H 127 4.481 4.481 4.699 -0.218 19654 1363 1 2 . 1 1 127 127 ASP CA C 127 58.322 58.322 57.818 0.504 19654 1364 1 2 . 1 1 127 127 ASP CB C 127 41.822 41.822 41.022 0.800 19654 1365 1 2 . 1 1 127 127 ASP H H 127 8.813 8.813 8.409 0.405 19654 1366 1 2 . 1 1 128 128 VAL N N 128 116.904 116.904 119.371 -2.467 19654 1367 1 2 . 1 1 128 128 VAL HA H 128 3.677 3.677 3.802 -0.125 19654 1368 1 2 . 1 1 128 128 VAL CA C 128 66.346 66.346 66.375 -0.029 19654 1369 1 2 . 1 1 128 128 VAL CB C 128 31.351 31.351 31.443 -0.092 19654 1370 1 2 . 1 1 128 128 VAL H H 128 7.949 7.949 8.083 -0.134 19654 1371 1 2 . 1 1 129 129 LEU N N 129 121.043 121.043 121.761 -0.718 19654 1372 1 2 . 1 1 129 129 LEU HA H 129 3.819 3.819 3.861 -0.042 19654 1373 1 2 . 1 1 129 129 LEU CA C 129 58.742 58.742 58.339 0.403 19654 1374 1 2 . 1 1 129 129 LEU CB C 129 42.370 42.370 41.867 0.503 19654 1375 1 2 . 1 1 129 129 LEU H H 129 8.198 8.198 8.075 0.123 19654 1376 1 2 . 1 1 130 130 VAL N N 130 114.370 114.370 117.588 -3.218 19654 1377 1 2 . 1 1 130 130 VAL HA H 130 3.525 3.525 3.811 -0.286 19654 1378 1 2 . 1 1 130 130 VAL CA C 130 66.004 66.004 65.714 0.290 19654 1379 1 2 . 1 1 130 130 VAL CB C 130 31.320 31.320 31.107 0.213 19654 1380 1 2 . 1 1 130 130 VAL H H 130 8.858 8.858 8.402 0.456 19654 1381 1 2 . 1 1 131 131 ARG N N 131 115.890 115.890 120.624 -4.734 19654 1382 1 2 . 1 1 131 131 ARG HA H 131 4.284 4.284 4.104 0.180 19654 1383 1 2 . 1 1 131 131 ARG CA C 131 59.255 59.255 58.894 0.361 19654 1384 1 2 . 1 1 131 131 ARG CB C 131 30.009 30.009 30.079 -0.070 19654 1385 1 2 . 1 1 131 131 ARG H H 131 8.619 8.619 8.321 0.298 19654 1386 1 2 . 1 1 132 132 THR N N 132 106.654 106.654 108.459 -1.805 19654 1387 1 2 . 1 1 132 132 THR HA H 132 4.464 4.464 4.400 0.064 19654 1388 1 2 . 1 1 132 132 THR CA C 132 64.081 64.081 62.780 1.301 19654 1389 1 2 . 1 1 132 132 THR CB C 132 69.870 69.870 70.006 -0.136 19654 1390 1 2 . 1 1 132 132 THR H H 132 7.530 7.530 7.715 -0.185 19654 1391 1 2 . 1 1 133 133 LYS N N 133 117.426 117.426 119.884 -2.458 19654 1392 1 2 . 1 1 133 133 LYS HA H 133 5.029 5.029 4.882 0.147 19654 1393 1 2 . 1 1 133 133 LYS CA C 133 53.009 53.009 54.729 -1.720 19654 1394 1 2 . 1 1 133 133 LYS CB C 133 31.044 31.044 32.756 -1.712 19654 1395 1 2 . 1 1 133 133 LYS H H 133 7.691 7.691 7.762 -0.071 19654 1396 1 2 . 1 1 134 134 ARG N N 134 120.904 120.904 120.859 0.045 19654 1397 1 2 . 1 1 134 134 ARG HA H 134 3.679 3.679 3.960 -0.281 19654 1398 1 2 . 1 1 134 134 ARG CA C 134 61.456 61.456 59.977 1.479 19654 1399 1 2 . 1 1 134 134 ARG CB C 134 30.261 30.261 29.373 0.888 19654 1400 1 2 . 1 1 134 134 ARG H H 134 7.341 7.341 7.466 -0.125 19654 1401 1 2 . 1 1 135 135 ASP N N 135 114.262 114.262 119.554 -5.292 19654 1402 1 2 . 1 1 135 135 ASP HA H 135 4.238 4.238 4.322 -0.084 19654 1403 1 2 . 1 1 135 135 ASP CA C 135 57.595 57.595 57.590 0.005 19654 1404 1 2 . 1 1 135 135 ASP CB C 135 39.961 39.961 39.944 0.017 19654 1405 1 2 . 1 1 135 135 ASP H H 135 8.386 8.386 8.713 -0.327 19654 1406 1 2 . 1 1 136 136 TRP N N 136 121.564 121.564 119.316 2.248 19654 1407 1 2 . 1 1 136 136 TRP HA H 136 3.858 3.858 4.319 -0.461 19654 1408 1 2 . 1 1 136 136 TRP CA C 136 62.373 62.373 60.001 2.372 19654 1409 1 2 . 1 1 136 136 TRP CB C 136 28.807 28.807 29.335 -0.528 19654 1410 1 2 . 1 1 136 136 TRP H H 136 7.844 7.844 7.807 0.037 19654 1411 1 2 . 1 1 137 137 LEU N N 137 117.395 117.395 119.337 -1.942 19654 1412 1 2 . 1 1 137 137 LEU HA H 137 3.461 3.461 3.930 -0.469 19654 1413 1 2 . 1 1 137 137 LEU CA C 137 58.325 58.325 58.147 0.178 19654 1414 1 2 . 1 1 137 137 LEU CB C 137 42.979 42.979 41.545 1.434 19654 1415 1 2 . 1 1 137 137 LEU H H 137 8.623 8.623 8.228 0.395 19654 1416 1 2 . 1 1 138 138 VAL N N 138 118.341 118.341 118.170 0.171 19654 1417 1 2 . 1 1 138 138 VAL HA H 138 3.586 3.586 3.821 -0.235 19654 1418 1 2 . 1 1 138 138 VAL CA C 138 66.501 66.501 65.303 1.198 19654 1419 1 2 . 1 1 138 138 VAL CB C 138 31.588 31.588 32.017 -0.430 19654 1420 1 2 . 1 1 138 138 VAL H H 138 8.631 8.631 7.895 0.736 19654 1421 1 2 . 1 1 139 139 LYS N N 139 122.096 122.096 120.241 1.855 19654 1422 1 2 . 1 1 139 139 LYS HA H 139 3.941 3.941 4.102 -0.161 19654 1423 1 2 . 1 1 139 139 LYS CA C 139 58.925 58.925 58.556 0.369 19654 1424 1 2 . 1 1 139 139 LYS CB C 139 31.752 31.752 32.395 -0.643 19654 1425 1 2 . 1 1 139 139 LYS H H 139 7.695 7.695 8.351 -0.656 19654 1426 1 2 . 1 1 140 140 GLN N N 140 115.416 115.416 115.240 0.176 19654 1427 1 2 . 1 1 140 140 GLN HA H 140 3.970 3.970 4.538 -0.568 19654 1428 1 2 . 1 1 140 140 GLN CA C 140 54.309 54.309 54.578 -0.269 19654 1429 1 2 . 1 1 140 140 GLN CB C 140 27.174 27.174 29.976 -2.802 19654 1430 1 2 . 1 1 140 140 GLN H H 140 7.344 7.344 8.006 -0.662 19654 1431 1 2 . 1 1 141 141 ARG N N 141 110.160 110.160 117.445 -7.285 19654 1432 1 2 . 1 1 141 141 ARG HA H 141 3.899 3.899 4.030 -0.131 19654 1433 1 2 . 1 1 141 141 ARG CA C 141 57.400 57.400 56.471 0.929 19654 1434 1 2 . 1 1 141 141 ARG CB C 141 25.640 25.640 27.508 -1.868 19654 1435 1 2 . 1 1 141 141 ARG H H 141 7.677 7.677 7.521 0.156 19654 1436 1 2 . 1 1 142 142 GLY N N 142 107.741 107.741 109.073 -1.332 19654 1437 1 2 . 1 1 142 142 GLY CA C 142 45.633 45.633 46.652 -1.019 19654 1438 1 2 . 1 1 142 142 GLY H H 142 8.931 8.931 8.688 0.243 19654 1439 1 2 . 1 1 143 143 TRP N N 143 123.871 123.871 120.278 3.593 19654 1440 1 2 . 1 1 143 143 TRP HA H 143 4.273 4.273 4.298 -0.025 19654 1441 1 2 . 1 1 143 143 TRP CA C 143 59.317 59.317 59.396 -0.079 19654 1442 1 2 . 1 1 143 143 TRP CB C 143 28.435 28.435 29.238 -0.803 19654 1443 1 2 . 1 1 143 143 TRP H H 143 9.004 9.004 7.718 1.286 19654 1444 1 2 . 1 1 144 144 ASP N N 144 119.481 119.481 119.693 -0.212 19654 1445 1 2 . 1 1 144 144 ASP HA H 144 4.553 4.553 4.302 0.251 19654 1446 1 2 . 1 1 144 144 ASP CA C 144 57.825 57.825 58.128 -0.303 19654 1447 1 2 . 1 1 144 144 ASP CB C 144 40.435 40.435 40.086 0.350 19654 1448 1 2 . 1 1 144 144 ASP H H 144 8.071 8.071 8.083 -0.012 19654 1449 1 2 . 1 1 145 145 GLY N N 145 109.653 109.653 107.158 2.495 19654 1450 1 2 . 1 1 145 145 GLY CA C 145 46.856 46.856 46.640 0.216 19654 1451 1 2 . 1 1 145 145 GLY H H 145 7.493 7.493 8.479 -0.986 19654 1452 1 2 . 1 1 146 146 PHE N N 146 124.053 124.053 123.193 0.860 19654 1453 1 2 . 1 1 146 146 PHE HA H 146 2.455 2.455 3.875 -1.420 19654 1454 1 2 . 1 1 146 146 PHE CA C 146 60.349 60.349 61.521 -1.172 19654 1455 1 2 . 1 1 146 146 PHE CB C 146 38.607 38.607 39.279 -0.672 19654 1456 1 2 . 1 1 146 146 PHE H H 146 7.257 7.257 7.937 -0.680 19654 1457 1 2 . 1 1 147 147 VAL N N 147 116.525 116.525 118.020 -1.495 19654 1458 1 2 . 1 1 147 147 VAL HA H 147 3.298 3.298 3.742 -0.444 19654 1459 1 2 . 1 1 147 147 VAL CA C 147 66.080 66.080 66.096 -0.016 19654 1460 1 2 . 1 1 147 147 VAL CB C 147 31.904 31.904 31.244 0.660 19654 1461 1 2 . 1 1 147 147 VAL H H 147 7.700 7.700 7.632 0.068 19654 1462 1 2 . 1 1 148 148 GLU N N 148 118.404 118.404 119.320 -0.916 19654 1463 1 2 . 1 1 148 148 GLU HA H 148 3.985 3.985 4.019 -0.034 19654 1464 1 2 . 1 1 148 148 GLU CA C 148 58.933 58.933 58.816 0.117 19654 1465 1 2 . 1 1 148 148 GLU CB C 148 29.535 29.535 29.033 0.502 19654 1466 1 2 . 1 1 148 148 GLU H H 148 7.801 7.801 7.634 0.167 19654 1467 1 2 . 1 1 149 149 PHE N N 149 120.305 120.305 121.293 -0.988 19654 1468 1 2 . 1 1 149 149 PHE HA H 149 3.970 3.970 4.129 -0.159 19654 1469 1 2 . 1 1 149 149 PHE CA C 149 61.341 61.341 60.933 0.408 19654 1470 1 2 . 1 1 149 149 PHE CB C 149 39.011 39.011 39.180 -0.169 19654 1471 1 2 . 1 1 149 149 PHE H H 149 8.358 8.358 8.217 0.141 19654 1472 1 2 . 1 1 150 150 PHE N N 150 112.582 112.582 114.152 -1.570 19654 1473 1 2 . 1 1 150 150 PHE HA H 150 4.255 4.255 4.255 -0.000 19654 1474 1 2 . 1 1 150 150 PHE CA C 150 59.075 59.075 58.851 0.224 19654 1475 1 2 . 1 1 150 150 PHE CB C 150 39.487 39.487 38.753 0.734 19654 1476 1 2 . 1 1 150 150 PHE H H 150 6.927 6.927 7.470 -0.543 19654 1477 1 2 . 1 1 151 151 HIS N N 151 118.966 118.966 115.388 3.578 19654 1478 1 2 . 1 1 151 151 HIS HA H 151 4.370 4.370 4.308 0.062 19654 1479 1 2 . 1 1 151 151 HIS CA C 151 56.788 56.788 56.750 0.038 19654 1480 1 2 . 1 1 151 151 HIS CB C 151 28.827 28.827 27.707 1.120 19654 1481 1 2 . 1 1 151 151 HIS H H 151 7.483 7.483 7.697 -0.214 19654 1482 1 2 . 1 1 152 152 VAL N N 152 120.499 120.499 117.937 2.562 19654 1483 1 2 . 1 1 152 152 VAL HA H 152 3.950 3.950 3.949 0.001 19654 1484 1 2 . 1 1 152 152 VAL CA C 152 62.110 62.110 65.315 -3.205 19654 1485 1 2 . 1 1 152 152 VAL CB C 152 32.593 32.593 32.556 0.037 19654 1486 1 2 . 1 1 152 152 VAL H H 152 8.103 8.103 8.191 -0.088 19654 1487 1 2 . 1 1 153 153 GLU N N 153 123.580 123.580 119.193 4.387 19654 1488 1 2 . 1 1 153 153 GLU HA H 153 4.162 4.162 4.360 -0.198 19654 1489 1 2 . 1 1 153 153 GLU CA C 153 56.433 56.433 55.302 1.131 19654 1490 1 2 . 1 1 153 153 GLU CB C 153 30.101 30.101 29.382 0.719 19654 1491 1 2 . 1 1 153 153 GLU H H 153 8.446 8.446 8.359 0.087 19654 1492 1 2 . 1 1 154 154 ASP N N 154 120.964 120.964 120.572 0.392 19654 1493 1 2 . 1 1 154 154 ASP HA H 154 4.565 4.565 4.552 0.013 19654 1494 1 2 . 1 1 154 154 ASP CA C 154 54.106 54.106 53.956 0.150 19654 1495 1 2 . 1 1 154 154 ASP CB C 154 40.836 40.836 41.267 -0.431 19654 1496 1 2 . 1 1 154 154 ASP H H 154 8.325 8.325 8.159 0.166 19654 1497 1 2 . 1 1 155 155 LEU N N 155 122.311 122.311 117.159 5.152 19654 1498 1 2 . 1 1 155 155 LEU HA H 155 4.230 4.230 4.587 -0.357 19654 1499 1 2 . 1 1 155 155 LEU CA C 155 55.340 55.340 54.733 0.607 19654 1500 1 2 . 1 1 155 155 LEU CB C 155 42.094 42.094 41.653 0.441 19654 1501 1 2 . 1 1 155 155 LEU H H 155 8.210 8.210 8.210 0.000 19654 1502 1 2 . 1 1 156 156 GLU N N 156 120.023 120.023 117.040 2.983 19654 1503 1 2 . 1 1 156 156 GLU HA H 156 4.218 4.218 4.261 -0.043 19654 1504 1 2 . 1 1 156 156 GLU CA C 156 56.831 56.831 57.244 -0.413 19654 1505 1 2 . 1 1 156 156 GLU CB C 156 29.930 29.930 28.574 1.356 19654 1506 1 2 . 1 1 156 156 GLU H H 156 8.396 8.396 8.418 -0.022 19654 1507 1 2 . 1 1 157 157 GLY N N 157 109.371 109.371 109.023 0.348 19654 1508 1 2 . 1 1 157 157 GLY CA C 157 45.327 45.327 44.904 0.423 19654 1509 1 2 . 1 1 157 157 GLY H H 157 8.323 8.323 8.242 0.081 19654 1510 1 2 . 1 1 158 158 GLY N N 158 108.074 108.074 112.776 -4.702 19654 1511 1 2 . 1 1 158 158 GLY CA C 158 45.061 45.061 44.379 0.682 19654 1512 1 2 . 1 1 158 158 GLY H H 158 8.226 8.226 7.916 0.310 19654 1513 1 2 . 1 1 159 159 HIS N N 159 117.875 117.875 118.574 -0.699 19654 1514 1 2 . 1 1 159 159 HIS HA H 159 4.551 4.551 4.187 0.364 19654 1515 1 2 . 1 1 159 159 HIS CA C 159 55.600 55.600 58.010 -2.410 19654 1516 1 2 . 1 1 159 159 HIS CB C 159 29.800 29.800 28.849 0.951 19654 1517 1 2 . 1 1 159 159 HIS H H 159 8.210 8.210 8.530 -0.320 19654 1518 1 2 . 1 1 161 161 HIS N N 161 125.094 125.094 123.956 1.138 19654 1519 1 2 . 1 1 161 161 HIS HA H 161 4.585 4.585 4.804 -0.219 19654 1520 1 2 . 1 1 161 161 HIS H H 161 8.162 8.162 8.350 -0.188 19654 1521 1 3 . 1 1 2 2 GLU HA H 2 4.333 4.333 4.330 0.003 19654 1522 1 3 . 1 1 2 2 GLU CA C 2 56.183 56.183 55.862 0.321 19654 1523 1 3 . 1 1 2 2 GLU CB C 2 30.150 30.150 30.746 -0.596 19654 1524 1 3 . 1 1 3 3 ASP N N 3 122.553 122.553 119.438 3.115 19654 1525 1 3 . 1 1 3 3 ASP HA H 3 4.729 4.729 4.754 -0.025 19654 1526 1 3 . 1 1 3 3 ASP CA C 3 53.659 53.659 52.703 0.957 19654 1527 1 3 . 1 1 3 3 ASP CB C 3 41.319 41.319 42.896 -1.577 19654 1528 1 3 . 1 1 3 3 ASP H H 3 8.437 8.437 7.627 0.810 19654 1529 1 3 . 1 1 4 4 GLU N N 4 125.121 125.121 119.253 5.868 19654 1530 1 3 . 1 1 4 4 GLU HA H 4 4.235 4.235 4.056 0.179 19654 1531 1 3 . 1 1 4 4 GLU CA C 4 58.915 58.915 59.445 -0.530 19654 1532 1 3 . 1 1 4 4 GLU CB C 4 29.274 29.274 29.797 -0.523 19654 1533 1 3 . 1 1 4 4 GLU H H 4 8.726 8.726 8.647 0.079 19654 1534 1 3 . 1 1 5 5 LEU N N 5 120.976 120.976 120.527 0.449 19654 1535 1 3 . 1 1 5 5 LEU HA H 5 4.517 4.517 4.145 0.372 19654 1536 1 3 . 1 1 5 5 LEU CA C 5 57.939 57.939 57.707 0.232 19654 1537 1 3 . 1 1 5 5 LEU CB C 5 40.917 40.917 41.708 -0.791 19654 1538 1 3 . 1 1 5 5 LEU H H 5 8.381 8.381 8.009 0.372 19654 1539 1 3 . 1 1 6 6 TYR N N 6 123.977 123.977 120.398 3.579 19654 1540 1 3 . 1 1 6 6 TYR HA H 6 3.865 3.865 4.218 -0.353 19654 1541 1 3 . 1 1 6 6 TYR CA C 6 62.721 62.721 61.689 1.032 19654 1542 1 3 . 1 1 6 6 TYR CB C 6 38.475 38.475 38.352 0.123 19654 1543 1 3 . 1 1 6 6 TYR H H 6 8.342 8.342 8.626 -0.284 19654 1544 1 3 . 1 1 7 7 ARG N N 7 118.301 118.301 118.010 0.291 19654 1545 1 3 . 1 1 7 7 ARG HA H 7 3.828 3.828 4.043 -0.215 19654 1546 1 3 . 1 1 7 7 ARG CA C 7 59.619 59.619 58.191 1.428 19654 1547 1 3 . 1 1 7 7 ARG CB C 7 29.720 29.720 29.200 0.520 19654 1548 1 3 . 1 1 7 7 ARG H H 7 8.452 8.452 8.115 0.337 19654 1549 1 3 . 1 1 8 8 GLN N N 8 119.421 119.421 120.077 -0.656 19654 1550 1 3 . 1 1 8 8 GLN HA H 8 3.944 3.944 3.985 -0.041 19654 1551 1 3 . 1 1 8 8 GLN CA C 8 58.827 58.827 59.047 -0.220 19654 1552 1 3 . 1 1 8 8 GLN CB C 8 28.918 28.918 28.788 0.130 19654 1553 1 3 . 1 1 8 8 GLN H H 8 8.894 8.894 8.442 0.452 19654 1554 1 3 . 1 1 9 9 SER N N 9 113.384 113.384 115.855 -2.471 19654 1555 1 3 . 1 1 9 9 SER HA H 9 4.007 4.007 3.712 0.295 19654 1556 1 3 . 1 1 9 9 SER CA C 9 62.117 62.117 61.533 0.584 19654 1557 1 3 . 1 1 9 9 SER CB C 9 63.544 63.544 63.132 0.412 19654 1558 1 3 . 1 1 9 9 SER H H 9 8.018 8.018 8.142 -0.124 19654 1559 1 3 . 1 1 10 10 LEU N N 10 121.112 121.112 124.491 -3.379 19654 1560 1 3 . 1 1 10 10 LEU HA H 10 4.130 4.130 4.095 0.035 19654 1561 1 3 . 1 1 10 10 LEU CA C 10 57.022 57.022 57.519 -0.497 19654 1562 1 3 . 1 1 10 10 LEU CB C 10 41.146 41.146 41.614 -0.468 19654 1563 1 3 . 1 1 10 10 LEU H H 10 8.599 8.599 7.960 0.639 19654 1564 1 3 . 1 1 11 11 GLU N N 11 120.653 120.653 119.861 0.792 19654 1565 1 3 . 1 1 11 11 GLU HA H 11 3.914 3.914 3.957 -0.043 19654 1566 1 3 . 1 1 11 11 GLU CA C 11 59.627 59.627 59.279 0.348 19654 1567 1 3 . 1 1 11 11 GLU CB C 11 29.298 29.298 29.053 0.245 19654 1568 1 3 . 1 1 11 11 GLU H H 11 7.806 7.806 7.961 -0.155 19654 1569 1 3 . 1 1 12 12 ILE N N 12 117.297 117.297 120.960 -3.663 19654 1570 1 3 . 1 1 12 12 ILE HA H 12 3.121 3.121 3.505 -0.384 19654 1571 1 3 . 1 1 12 12 ILE CA C 12 65.774 65.774 65.427 0.347 19654 1572 1 3 . 1 1 12 12 ILE CB C 12 39.143 39.143 37.513 1.630 19654 1573 1 3 . 1 1 12 12 ILE H H 12 7.401 7.401 7.539 -0.138 19654 1574 1 3 . 1 1 13 13 ILE N N 13 117.560 117.560 119.048 -1.488 19654 1575 1 3 . 1 1 13 13 ILE HA H 13 3.302 3.302 3.579 -0.277 19654 1576 1 3 . 1 1 13 13 ILE CA C 13 66.420 66.420 65.582 0.838 19654 1577 1 3 . 1 1 13 13 ILE CB C 13 37.714 37.714 37.604 0.110 19654 1578 1 3 . 1 1 13 13 ILE H H 13 8.378 8.378 7.904 0.474 19654 1579 1 3 . 1 1 14 14 SER N N 14 113.892 113.892 115.969 -2.077 19654 1580 1 3 . 1 1 14 14 SER HA H 14 3.889 3.889 4.023 -0.134 19654 1581 1 3 . 1 1 14 14 SER CA C 14 62.310 62.310 62.254 0.056 19654 1582 1 3 . 1 1 14 14 SER CB C 14 62.282 62.282 63.157 -0.875 19654 1583 1 3 . 1 1 14 14 SER H H 14 9.048 9.048 8.408 0.640 19654 1584 1 3 . 1 1 15 15 ARG N N 15 118.890 118.890 120.742 -1.852 19654 1585 1 3 . 1 1 15 15 ARG HA H 15 4.033 4.033 3.926 0.107 19654 1586 1 3 . 1 1 15 15 ARG CA C 15 59.496 59.496 59.591 -0.095 19654 1587 1 3 . 1 1 15 15 ARG CB C 15 29.727 29.727 30.067 -0.340 19654 1588 1 3 . 1 1 15 15 ARG H H 15 7.655 7.655 8.128 -0.473 19654 1589 1 3 . 1 1 16 16 TYR N N 16 119.757 119.757 121.396 -1.639 19654 1590 1 3 . 1 1 16 16 TYR HA H 16 4.146 4.146 4.133 0.013 19654 1591 1 3 . 1 1 16 16 TYR CA C 16 61.265 61.265 61.458 -0.193 19654 1592 1 3 . 1 1 16 16 TYR CB C 16 38.495 38.495 38.137 0.358 19654 1593 1 3 . 1 1 16 16 TYR H H 16 8.351 8.351 7.961 0.390 19654 1594 1 3 . 1 1 17 17 LEU N N 17 118.494 118.494 119.323 -0.829 19654 1595 1 3 . 1 1 17 17 LEU HA H 17 3.375 3.375 3.675 -0.300 19654 1596 1 3 . 1 1 17 17 LEU CA C 17 59.627 59.627 58.480 1.147 19654 1597 1 3 . 1 1 17 17 LEU CB C 17 39.949 39.949 41.227 -1.278 19654 1598 1 3 . 1 1 17 17 LEU H H 17 8.578 8.578 8.529 0.049 19654 1599 1 3 . 1 1 18 18 ARG N N 18 115.962 115.962 118.472 -2.510 19654 1600 1 3 . 1 1 18 18 ARG HA H 18 3.858 3.858 3.922 -0.064 19654 1601 1 3 . 1 1 18 18 ARG CA C 18 60.233 60.233 58.422 1.811 19654 1602 1 3 . 1 1 18 18 ARG CB C 18 29.993 29.993 29.207 0.786 19654 1603 1 3 . 1 1 18 18 ARG H H 18 8.044 8.044 7.763 0.281 19654 1604 1 3 . 1 1 19 19 GLU N N 19 120.998 120.998 119.672 1.326 19654 1605 1 3 . 1 1 19 19 GLU HA H 19 4.153 4.153 4.113 0.040 19654 1606 1 3 . 1 1 19 19 GLU CA C 19 58.857 58.857 59.206 -0.349 19654 1607 1 3 . 1 1 19 19 GLU CB C 19 29.661 29.661 28.910 0.751 19654 1608 1 3 . 1 1 19 19 GLU H H 19 8.268 8.268 8.612 -0.344 19654 1609 1 3 . 1 1 20 20 GLN N N 20 119.903 119.903 117.785 2.118 19654 1610 1 3 . 1 1 20 20 GLN HA H 20 3.715 3.715 4.103 -0.388 19654 1611 1 3 . 1 1 20 20 GLN CA C 20 58.008 58.008 57.840 0.168 19654 1612 1 3 . 1 1 20 20 GLN CB C 20 28.666 28.666 28.090 0.576 19654 1613 1 3 . 1 1 20 20 GLN H H 20 8.193 8.193 7.999 0.194 19654 1614 1 3 . 1 1 21 21 ALA N N 21 117.771 117.771 122.140 -4.369 19654 1615 1 3 . 1 1 21 21 ALA HA H 21 3.985 3.985 4.100 -0.115 19654 1616 1 3 . 1 1 21 21 ALA CA C 21 54.397 54.397 54.985 -0.588 19654 1617 1 3 . 1 1 21 21 ALA CB C 21 20.022 20.022 18.549 1.473 19654 1618 1 3 . 1 1 21 21 ALA H H 21 7.883 7.883 8.217 -0.334 19654 1619 1 3 . 1 1 22 22 THR N N 22 103.721 103.721 109.760 -6.039 19654 1620 1 3 . 1 1 22 22 THR HA H 22 4.279 4.279 4.214 0.065 19654 1621 1 3 . 1 1 22 22 THR CA C 22 62.357 62.357 63.214 -0.857 19654 1622 1 3 . 1 1 22 22 THR CB C 22 71.071 71.071 70.752 0.319 19654 1623 1 3 . 1 1 22 22 THR H H 22 8.024 8.024 7.803 0.221 19654 1624 1 3 . 1 1 23 23 GLY N N 23 111.610 111.610 110.135 1.475 19654 1625 1 3 . 1 1 23 23 GLY CA C 23 45.574 45.574 44.796 0.778 19654 1626 1 3 . 1 1 23 23 GLY H H 23 8.155 8.155 8.196 -0.041 19654 1627 1 3 . 1 1 24 24 ALA N N 24 123.004 123.004 122.770 0.234 19654 1628 1 3 . 1 1 24 24 ALA HA H 24 4.526 4.526 4.736 -0.210 19654 1629 1 3 . 1 1 24 24 ALA CA C 24 50.763 50.763 51.139 -0.376 19654 1630 1 3 . 1 1 24 24 ALA CB C 24 20.186 20.186 21.003 -0.817 19654 1631 1 3 . 1 1 24 24 ALA H H 24 7.763 7.763 7.702 0.061 19654 1632 1 3 . 1 1 25 25 LYS N N 25 121.392 121.392 118.727 2.665 19654 1633 1 3 . 1 1 25 25 LYS HA H 25 4.181 4.181 4.758 -0.577 19654 1634 1 3 . 1 1 25 25 LYS CA C 25 55.729 55.729 54.601 1.128 19654 1635 1 3 . 1 1 25 25 LYS CB C 25 33.175 33.175 34.821 -1.646 19654 1636 1 3 . 1 1 25 25 LYS H H 25 8.349 8.349 8.195 0.154 19654 1637 1 3 . 1 1 26 26 ASP N N 26 124.433 124.433 121.638 2.795 19654 1638 1 3 . 1 1 26 26 ASP HA H 26 4.618 4.618 4.652 -0.034 19654 1639 1 3 . 1 1 26 26 ASP CA C 26 53.735 53.735 54.465 -0.730 19654 1640 1 3 . 1 1 26 26 ASP CB C 26 41.402 41.402 41.547 -0.145 19654 1641 1 3 . 1 1 26 26 ASP H H 26 8.803 8.803 8.988 -0.185 19654 1642 1 3 . 1 1 27 27 THR N N 27 116.332 116.332 115.564 0.768 19654 1643 1 3 . 1 1 27 27 THR HA H 27 4.249 4.249 4.450 -0.201 19654 1644 1 3 . 1 1 27 27 THR CA C 27 61.268 61.268 61.189 0.079 19654 1645 1 3 . 1 1 27 27 THR CB C 27 68.993 68.993 68.937 0.056 19654 1646 1 3 . 1 1 27 27 THR H H 27 8.363 8.363 8.338 0.025 19654 1647 1 3 . 1 1 28 28 LYS N N 28 125.551 125.551 123.342 2.209 19654 1648 1 3 . 1 1 28 28 LYS HA H 28 4.437 4.437 4.572 -0.135 19654 1649 1 3 . 1 1 28 28 LYS CA C 28 55.188 55.188 54.499 0.689 19654 1650 1 3 . 1 1 28 28 LYS CB C 28 31.409 31.409 32.085 -0.676 19654 1651 1 3 . 1 1 28 28 LYS H H 28 8.346 8.346 7.761 0.585 19654 1652 1 3 . 1 1 29 29 PRO HA H 29 4.392 4.392 4.319 0.073 19654 1653 1 3 . 1 1 29 29 PRO CA C 29 63.164 63.164 63.287 -0.123 19654 1654 1 3 . 1 1 29 29 PRO CB C 29 31.904 31.904 32.103 -0.199 19654 1655 1 3 . 1 1 30 30 MET N N 30 121.136 121.136 120.932 0.204 19654 1656 1 3 . 1 1 30 30 MET HA H 30 4.381 4.381 4.353 0.028 19654 1657 1 3 . 1 1 30 30 MET CA C 30 55.229 55.229 54.982 0.247 19654 1658 1 3 . 1 1 30 30 MET CB C 30 33.819 33.819 33.712 0.107 19654 1659 1 3 . 1 1 30 30 MET H H 30 8.585 8.585 8.260 0.325 19654 1660 1 3 . 1 1 31 31 GLY N N 31 109.849 109.849 110.258 -0.409 19654 1661 1 3 . 1 1 31 31 GLY CA C 31 44.983 44.983 46.180 -1.197 19654 1662 1 3 . 1 1 31 31 GLY H H 31 8.930 8.930 8.847 0.083 19654 1663 1 3 . 1 1 32 32 ARG N N 32 121.001 121.001 119.447 1.554 19654 1664 1 3 . 1 1 32 32 ARG HA H 32 4.239 4.239 4.402 -0.163 19654 1665 1 3 . 1 1 32 32 ARG CA C 32 56.755 56.755 56.197 0.558 19654 1666 1 3 . 1 1 32 32 ARG CB C 32 30.110 30.110 31.324 -1.214 19654 1667 1 3 . 1 1 32 32 ARG H H 32 8.447 8.447 8.007 0.440 19654 1668 1 3 . 1 1 33 33 SER N N 33 119.991 119.991 115.549 4.442 19654 1669 1 3 . 1 1 33 33 SER HA H 33 4.386 4.386 4.428 -0.042 19654 1670 1 3 . 1 1 33 33 SER CA C 33 58.502 58.502 57.356 1.146 19654 1671 1 3 . 1 1 33 33 SER CB C 33 62.609 62.609 63.636 -1.026 19654 1672 1 3 . 1 1 33 33 SER H H 33 8.667 8.667 8.179 0.488 19654 1673 1 3 . 1 1 34 34 GLY N N 34 108.582 108.582 112.808 -4.226 19654 1674 1 3 . 1 1 34 34 GLY CA C 34 46.637 46.637 46.142 0.495 19654 1675 1 3 . 1 1 34 34 GLY H H 34 8.216 8.216 8.846 -0.630 19654 1676 1 3 . 1 1 35 35 ALA N N 35 123.445 123.445 124.886 -1.441 19654 1677 1 3 . 1 1 35 35 ALA HA H 35 4.193 4.193 4.240 -0.047 19654 1678 1 3 . 1 1 35 35 ALA CA C 35 54.770 54.770 54.579 0.191 19654 1679 1 3 . 1 1 35 35 ALA CB C 35 18.437 18.437 18.225 0.212 19654 1680 1 3 . 1 1 35 35 ALA H H 35 8.506 8.506 8.249 0.257 19654 1681 1 3 . 1 1 36 36 THR N N 36 115.716 115.716 115.457 0.259 19654 1682 1 3 . 1 1 36 36 THR HA H 36 3.919 3.919 3.931 -0.012 19654 1683 1 3 . 1 1 36 36 THR CA C 36 67.249 67.249 67.029 0.220 19654 1684 1 3 . 1 1 36 36 THR CB C 36 68.225 68.225 68.667 -0.442 19654 1685 1 3 . 1 1 36 36 THR H H 36 8.262 8.262 8.049 0.213 19654 1686 1 3 . 1 1 37 37 SER N N 37 117.911 117.911 116.919 0.992 19654 1687 1 3 . 1 1 37 37 SER HA H 37 3.869 3.869 3.958 -0.089 19654 1688 1 3 . 1 1 37 37 SER CA C 37 62.333 62.333 61.253 1.080 19654 1689 1 3 . 1 1 37 37 SER CB C 37 62.333 62.333 62.738 -0.405 19654 1690 1 3 . 1 1 37 37 SER H H 37 8.389 8.389 8.134 0.255 19654 1691 1 3 . 1 1 38 38 ARG N N 38 120.924 120.924 122.427 -1.503 19654 1692 1 3 . 1 1 38 38 ARG HA H 38 3.901 3.901 4.044 -0.143 19654 1693 1 3 . 1 1 38 38 ARG CA C 38 59.923 59.923 59.153 0.770 19654 1694 1 3 . 1 1 38 38 ARG CB C 38 29.759 29.759 30.115 -0.356 19654 1695 1 3 . 1 1 38 38 ARG H H 38 8.278 8.278 7.536 0.742 19654 1696 1 3 . 1 1 39 39 LYS N N 39 119.172 119.172 119.552 -0.380 19654 1697 1 3 . 1 1 39 39 LYS HA H 39 4.151 4.151 4.035 0.116 19654 1698 1 3 . 1 1 39 39 LYS CA C 39 59.086 59.086 59.656 -0.570 19654 1699 1 3 . 1 1 39 39 LYS CB C 39 32.807 32.807 32.236 0.571 19654 1700 1 3 . 1 1 39 39 LYS H H 39 7.930 7.930 8.295 -0.365 19654 1701 1 3 . 1 1 40 40 ALA N N 40 125.586 125.586 122.422 3.164 19654 1702 1 3 . 1 1 40 40 ALA HA H 40 4.175 4.175 4.378 -0.203 19654 1703 1 3 . 1 1 40 40 ALA CA C 40 55.633 55.633 55.254 0.379 19654 1704 1 3 . 1 1 40 40 ALA CB C 40 18.675 18.675 18.610 0.065 19654 1705 1 3 . 1 1 40 40 ALA H H 40 9.192 9.192 8.148 1.044 19654 1706 1 3 . 1 1 41 41 LEU N N 41 120.080 120.080 120.399 -0.319 19654 1707 1 3 . 1 1 41 41 LEU HA H 41 3.930 3.930 3.881 0.049 19654 1708 1 3 . 1 1 41 41 LEU CA C 41 58.169 58.169 58.160 0.009 19654 1709 1 3 . 1 1 41 41 LEU CB C 41 41.683 41.683 41.705 -0.022 19654 1710 1 3 . 1 1 41 41 LEU H H 41 8.209 8.209 7.938 0.271 19654 1711 1 3 . 1 1 42 42 GLU N N 42 117.875 117.875 116.709 1.166 19654 1712 1 3 . 1 1 42 42 GLU HA H 42 3.977 3.977 4.008 -0.031 19654 1713 1 3 . 1 1 42 42 GLU CA C 42 59.335 59.335 59.286 0.049 19654 1714 1 3 . 1 1 42 42 GLU CB C 42 29.176 29.176 29.023 0.154 19654 1715 1 3 . 1 1 42 42 GLU H H 42 8.197 8.197 8.232 -0.035 19654 1716 1 3 . 1 1 43 43 THR N N 43 116.912 116.912 117.556 -0.644 19654 1717 1 3 . 1 1 43 43 THR HA H 43 3.793 3.793 4.047 -0.254 19654 1718 1 3 . 1 1 43 43 THR CA C 43 67.517 67.517 66.302 1.215 19654 1719 1 3 . 1 1 43 43 THR CB C 43 68.089 68.089 68.541 -0.452 19654 1720 1 3 . 1 1 43 43 THR H H 43 8.183 8.183 7.782 0.401 19654 1721 1 3 . 1 1 44 44 LEU N N 44 123.099 123.099 121.722 1.377 19654 1722 1 3 . 1 1 44 44 LEU HA H 44 3.699 3.699 3.956 -0.257 19654 1723 1 3 . 1 1 44 44 LEU CA C 44 58.261 58.261 58.630 -0.369 19654 1724 1 3 . 1 1 44 44 LEU CB C 44 40.988 40.988 41.154 -0.166 19654 1725 1 3 . 1 1 44 44 LEU H H 44 8.509 8.509 8.785 -0.276 19654 1726 1 3 . 1 1 45 45 ARG N N 45 116.885 116.885 116.612 0.273 19654 1727 1 3 . 1 1 45 45 ARG HA H 45 4.125 4.125 4.485 -0.360 19654 1728 1 3 . 1 1 45 45 ARG CA C 45 59.617 59.617 58.524 1.093 19654 1729 1 3 . 1 1 45 45 ARG CB C 45 30.423 30.423 29.765 0.658 19654 1730 1 3 . 1 1 45 45 ARG H H 45 8.398 8.398 7.738 0.660 19654 1731 1 3 . 1 1 46 46 ARG N N 46 117.297 117.297 121.222 -3.925 19654 1732 1 3 . 1 1 46 46 ARG HA H 46 4.229 4.229 4.088 0.141 19654 1733 1 3 . 1 1 46 46 ARG CA C 46 58.427 58.427 59.238 -0.811 19654 1734 1 3 . 1 1 46 46 ARG CB C 46 30.408 30.408 30.347 0.061 19654 1735 1 3 . 1 1 46 46 ARG H H 46 7.421 7.421 8.132 -0.711 19654 1736 1 3 . 1 1 47 47 VAL N N 47 114.304 114.304 111.946 2.358 19654 1737 1 3 . 1 1 47 47 VAL HA H 47 4.094 4.094 4.228 -0.134 19654 1738 1 3 . 1 1 47 47 VAL CA C 47 63.242 63.242 63.949 -0.707 19654 1739 1 3 . 1 1 47 47 VAL CB C 47 32.378 32.378 32.019 0.359 19654 1740 1 3 . 1 1 47 47 VAL H H 47 8.515 8.515 8.067 0.448 19654 1741 1 3 . 1 1 48 48 GLY N N 48 110.132 110.132 109.795 0.337 19654 1742 1 3 . 1 1 48 48 GLY CA C 48 46.588 46.588 47.854 -1.266 19654 1743 1 3 . 1 1 48 48 GLY H H 48 8.890 8.890 8.595 0.295 19654 1744 1 3 . 1 1 49 49 ASP N N 49 121.292 121.292 122.075 -0.783 19654 1745 1 3 . 1 1 49 49 ASP HA H 49 4.456 4.456 4.458 -0.002 19654 1746 1 3 . 1 1 49 49 ASP CA C 49 57.787 57.787 57.708 0.079 19654 1747 1 3 . 1 1 49 49 ASP CB C 49 40.912 40.912 40.710 0.202 19654 1748 1 3 . 1 1 49 49 ASP H H 49 7.392 7.392 8.077 -0.685 19654 1749 1 3 . 1 1 50 50 GLY N N 50 106.682 106.682 107.788 -1.106 19654 1750 1 3 . 1 1 50 50 GLY CA C 50 46.932 46.932 47.227 -0.295 19654 1751 1 3 . 1 1 50 50 GLY H H 50 8.132 8.132 8.202 -0.070 19654 1752 1 3 . 1 1 51 51 VAL N N 51 121.747 121.747 122.128 -0.381 19654 1753 1 3 . 1 1 51 51 VAL HA H 51 3.944 3.944 3.759 0.185 19654 1754 1 3 . 1 1 51 51 VAL CA C 51 66.355 66.355 66.474 -0.119 19654 1755 1 3 . 1 1 51 51 VAL CB C 51 31.594 31.594 31.534 0.060 19654 1756 1 3 . 1 1 51 51 VAL H H 51 7.476 7.476 7.866 -0.390 19654 1757 1 3 . 1 1 52 52 GLN N N 52 118.494 118.494 120.017 -1.523 19654 1758 1 3 . 1 1 52 52 GLN HA H 52 3.913 3.913 4.115 -0.202 19654 1759 1 3 . 1 1 52 52 GLN CA C 52 60.391 60.391 59.600 0.791 19654 1760 1 3 . 1 1 52 52 GLN CB C 52 29.682 29.682 28.821 0.861 19654 1761 1 3 . 1 1 52 52 GLN H H 52 8.439 8.439 8.787 -0.348 19654 1762 1 3 . 1 1 53 53 ARG N N 53 116.807 116.807 117.673 -0.866 19654 1763 1 3 . 1 1 53 53 ARG HA H 53 4.163 4.163 4.222 -0.059 19654 1764 1 3 . 1 1 53 53 ARG CA C 53 59.086 59.086 57.940 1.146 19654 1765 1 3 . 1 1 53 53 ARG CB C 53 30.009 30.009 29.391 0.618 19654 1766 1 3 . 1 1 53 53 ARG H H 53 7.873 7.873 8.068 -0.195 19654 1767 1 3 . 1 1 54 54 ASN N N 54 116.356 116.356 117.477 -1.121 19654 1768 1 3 . 1 1 54 54 ASN HA H 54 4.448 4.448 4.591 -0.143 19654 1769 1 3 . 1 1 54 54 ASN CA C 54 54.694 54.694 55.421 -0.727 19654 1770 1 3 . 1 1 54 54 ASN CB C 54 38.302 38.302 38.382 -0.080 19654 1771 1 3 . 1 1 54 54 ASN H H 54 8.123 8.123 7.608 0.515 19654 1772 1 3 . 1 1 55 55 HIS N N 55 114.809 114.809 117.940 -3.131 19654 1773 1 3 . 1 1 55 55 HIS HA H 55 4.504 4.504 4.353 0.151 19654 1774 1 3 . 1 1 55 55 HIS CA C 55 55.949 55.949 57.671 -1.722 19654 1775 1 3 . 1 1 55 55 HIS CB C 55 28.341 28.341 30.100 -1.759 19654 1776 1 3 . 1 1 55 55 HIS H H 55 7.558 7.558 8.066 -0.508 19654 1777 1 3 . 1 1 56 56 GLU N N 56 121.943 121.943 120.817 1.126 19654 1778 1 3 . 1 1 56 56 GLU HA H 56 3.640 3.640 3.881 -0.241 19654 1779 1 3 . 1 1 56 56 GLU CA C 56 61.360 61.360 60.467 0.893 19654 1780 1 3 . 1 1 56 56 GLU CB C 56 30.006 30.006 29.381 0.625 19654 1781 1 3 . 1 1 56 56 GLU H H 56 7.071 7.071 8.402 -1.331 19654 1782 1 3 . 1 1 57 57 THR N N 57 112.827 112.827 113.653 -0.826 19654 1783 1 3 . 1 1 57 57 THR HA H 57 3.984 3.984 4.084 -0.100 19654 1784 1 3 . 1 1 57 57 THR CA C 57 66.247 66.247 65.563 0.684 19654 1785 1 3 . 1 1 57 57 THR CB C 57 68.002 68.002 68.588 -0.586 19654 1786 1 3 . 1 1 57 57 THR H H 57 8.324 8.324 8.287 0.037 19654 1787 1 3 . 1 1 58 58 ALA N N 58 126.520 126.520 123.991 2.529 19654 1788 1 3 . 1 1 58 58 ALA HA H 58 4.147 4.147 4.092 0.055 19654 1789 1 3 . 1 1 58 58 ALA CA C 58 54.707 54.707 54.703 0.004 19654 1790 1 3 . 1 1 58 58 ALA CB C 58 17.734 17.734 17.996 -0.262 19654 1791 1 3 . 1 1 58 58 ALA H H 58 7.910 7.910 7.673 0.237 19654 1792 1 3 . 1 1 59 59 PHE N N 59 119.326 119.326 118.605 0.721 19654 1793 1 3 . 1 1 59 59 PHE HA H 59 4.518 4.518 4.085 0.433 19654 1794 1 3 . 1 1 59 59 PHE CA C 59 56.946 56.946 59.217 -2.271 19654 1795 1 3 . 1 1 59 59 PHE CB C 59 34.583 34.583 37.392 -2.808 19654 1796 1 3 . 1 1 59 59 PHE H H 59 9.017 9.017 8.242 0.775 19654 1797 1 3 . 1 1 60 60 GLN N N 60 119.670 119.670 118.079 1.591 19654 1798 1 3 . 1 1 60 60 GLN HA H 60 4.232 4.232 4.190 0.042 19654 1799 1 3 . 1 1 60 60 GLN CA C 60 59.359 59.359 59.245 0.114 19654 1800 1 3 . 1 1 60 60 GLN CB C 60 28.009 28.009 28.032 -0.023 19654 1801 1 3 . 1 1 60 60 GLN H H 60 8.678 8.678 8.672 0.006 19654 1802 1 3 . 1 1 61 61 GLY N N 61 106.140 106.140 106.185 -0.045 19654 1803 1 3 . 1 1 61 61 GLY CA C 61 47.085 47.085 46.867 0.218 19654 1804 1 3 . 1 1 61 61 GLY H H 61 7.975 7.975 7.805 0.170 19654 1805 1 3 . 1 1 62 62 MET N N 62 120.973 120.973 120.247 0.726 19654 1806 1 3 . 1 1 62 62 MET HA H 62 4.080 4.080 4.340 -0.260 19654 1807 1 3 . 1 1 62 62 MET CA C 62 58.752 58.752 58.399 0.353 19654 1808 1 3 . 1 1 62 62 MET CB C 62 33.824 33.824 32.793 1.031 19654 1809 1 3 . 1 1 62 62 MET H H 62 8.007 8.007 7.388 0.619 19654 1810 1 3 . 1 1 63 63 LEU N N 63 119.043 119.043 119.967 -0.924 19654 1811 1 3 . 1 1 63 63 LEU HA H 63 4.139 4.139 4.072 0.067 19654 1812 1 3 . 1 1 63 63 LEU CA C 63 57.645 57.645 58.210 -0.565 19654 1813 1 3 . 1 1 63 63 LEU CB C 63 42.173 42.173 40.945 1.228 19654 1814 1 3 . 1 1 63 63 LEU H H 63 8.394 8.394 8.926 -0.532 19654 1815 1 3 . 1 1 64 64 ARG N N 64 117.294 117.294 118.419 -1.125 19654 1816 1 3 . 1 1 64 64 ARG HA H 64 4.090 4.090 4.127 -0.037 19654 1817 1 3 . 1 1 64 64 ARG CA C 64 58.551 58.551 58.373 0.178 19654 1818 1 3 . 1 1 64 64 ARG CB C 64 29.772 29.772 30.191 -0.419 19654 1819 1 3 . 1 1 64 64 ARG H H 64 7.912 7.912 8.359 -0.447 19654 1820 1 3 . 1 1 65 65 LYS N N 65 116.840 116.840 117.041 -0.201 19654 1821 1 3 . 1 1 65 65 LYS HA H 65 4.165 4.165 4.495 -0.330 19654 1822 1 3 . 1 1 65 65 LYS CA C 65 57.175 57.175 56.679 0.496 19654 1823 1 3 . 1 1 65 65 LYS CB C 65 32.299 32.299 32.665 -0.366 19654 1824 1 3 . 1 1 65 65 LYS H H 65 7.506 7.506 7.757 -0.251 19654 1825 1 3 . 1 1 66 66 LEU N N 66 119.257 119.257 119.931 -0.674 19654 1826 1 3 . 1 1 66 66 LEU HA H 66 4.232 4.232 4.449 -0.217 19654 1827 1 3 . 1 1 66 66 LEU CA C 66 55.442 55.442 55.909 -0.467 19654 1828 1 3 . 1 1 66 66 LEU CB C 66 43.042 43.042 43.510 -0.468 19654 1829 1 3 . 1 1 66 66 LEU H H 66 7.736 7.736 7.761 -0.025 19654 1830 1 3 . 1 1 67 67 ASP N N 67 119.743 119.743 115.166 4.577 19654 1831 1 3 . 1 1 67 67 ASP HA H 67 4.457 4.457 4.473 -0.016 19654 1832 1 3 . 1 1 67 67 ASP CA C 67 53.850 53.850 57.206 -3.356 19654 1833 1 3 . 1 1 67 67 ASP CB C 67 40.195 40.195 40.778 -0.583 19654 1834 1 3 . 1 1 67 67 ASP H H 67 8.068 8.068 8.300 -0.232 19654 1835 1 3 . 1 1 68 68 ILE N N 68 120.055 120.055 117.549 2.506 19654 1836 1 3 . 1 1 68 68 ILE HA H 68 3.870 3.870 3.913 -0.043 19654 1837 1 3 . 1 1 68 68 ILE CA C 68 61.524 61.524 61.935 -0.412 19654 1838 1 3 . 1 1 68 68 ILE CB C 68 37.986 37.986 36.985 1.001 19654 1839 1 3 . 1 1 68 68 ILE H H 68 8.275 8.275 8.219 0.056 19654 1840 1 3 . 1 1 69 69 LYS N N 69 126.186 126.186 124.139 2.047 19654 1841 1 3 . 1 1 69 69 LYS HA H 69 4.481 4.481 4.316 0.165 19654 1842 1 3 . 1 1 69 69 LYS CA C 69 56.304 56.304 56.735 -0.431 19654 1843 1 3 . 1 1 69 69 LYS CB C 69 34.136 34.136 33.078 1.058 19654 1844 1 3 . 1 1 69 69 LYS H H 69 9.722 9.722 8.763 0.959 19654 1845 1 3 . 1 1 70 70 ASN N N 70 115.056 115.056 115.273 -0.217 19654 1846 1 3 . 1 1 70 70 ASN HA H 70 4.700 4.700 4.805 -0.105 19654 1847 1 3 . 1 1 70 70 ASN CA C 70 51.977 51.977 51.932 0.045 19654 1848 1 3 . 1 1 70 70 ASN CB C 70 39.474 39.474 39.892 -0.419 19654 1849 1 3 . 1 1 70 70 ASN H H 70 7.959 7.959 8.270 -0.311 19654 1850 1 3 . 1 1 71 71 GLU N N 71 118.214 118.214 118.890 -0.676 19654 1851 1 3 . 1 1 71 71 GLU HA H 71 3.967 3.967 3.972 -0.005 19654 1852 1 3 . 1 1 71 71 GLU CA C 71 59.354 59.354 59.890 -0.536 19654 1853 1 3 . 1 1 71 71 GLU CB C 71 29.520 29.520 29.581 -0.061 19654 1854 1 3 . 1 1 71 71 GLU H H 71 8.831 8.831 8.993 -0.162 19654 1855 1 3 . 1 1 72 72 ASP N N 72 120.319 120.319 117.672 2.647 19654 1856 1 3 . 1 1 72 72 ASP HA H 72 4.422 4.422 4.403 0.019 19654 1857 1 3 . 1 1 72 72 ASP CA C 72 57.036 57.036 57.107 -0.071 19654 1858 1 3 . 1 1 72 72 ASP CB C 72 39.945 39.945 40.038 -0.093 19654 1859 1 3 . 1 1 72 72 ASP H H 72 8.167 8.167 8.036 0.131 19654 1860 1 3 . 1 1 73 73 ASP N N 73 119.793 119.793 120.235 -0.442 19654 1861 1 3 . 1 1 73 73 ASP HA H 73 4.521 4.521 4.457 0.064 19654 1862 1 3 . 1 1 73 73 ASP CA C 73 56.337 56.337 57.200 -0.863 19654 1863 1 3 . 1 1 73 73 ASP CB C 73 41.927 41.927 40.521 1.406 19654 1864 1 3 . 1 1 73 73 ASP H H 73 8.153 8.153 7.822 0.331 19654 1865 1 3 . 1 1 74 74 VAL N N 74 117.572 117.572 120.258 -2.686 19654 1866 1 3 . 1 1 74 74 VAL HA H 74 3.714 3.714 3.610 0.104 19654 1867 1 3 . 1 1 74 74 VAL CA C 74 65.498 65.498 66.478 -0.980 19654 1868 1 3 . 1 1 74 74 VAL CB C 74 31.077 31.077 31.461 -0.384 19654 1869 1 3 . 1 1 74 74 VAL H H 74 7.629 7.629 7.409 0.220 19654 1870 1 3 . 1 1 75 75 LYS N N 75 119.403 119.403 118.906 0.497 19654 1871 1 3 . 1 1 75 75 LYS HA H 75 4.154 4.154 3.996 0.158 19654 1872 1 3 . 1 1 75 75 LYS CA C 75 59.034 59.034 59.548 -0.514 19654 1873 1 3 . 1 1 75 75 LYS CB C 75 31.909 31.909 32.077 -0.168 19654 1874 1 3 . 1 1 75 75 LYS H H 75 7.961 7.961 7.837 0.124 19654 1875 1 3 . 1 1 76 76 SER N N 76 114.355 114.355 115.711 -1.356 19654 1876 1 3 . 1 1 76 76 SER HA H 76 4.453 4.453 4.305 0.148 19654 1877 1 3 . 1 1 76 76 SER CA C 76 60.061 60.061 61.037 -0.976 19654 1878 1 3 . 1 1 76 76 SER CB C 76 63.023 63.023 63.072 -0.049 19654 1879 1 3 . 1 1 76 76 SER H H 76 7.919 7.919 7.714 0.205 19654 1880 1 3 . 1 1 77 77 LEU N N 77 121.954 121.954 121.687 0.267 19654 1881 1 3 . 1 1 77 77 LEU HA H 77 4.230 4.230 4.037 0.193 19654 1882 1 3 . 1 1 77 77 LEU CA C 77 56.764 56.764 57.695 -0.931 19654 1883 1 3 . 1 1 77 77 LEU CB C 77 41.695 41.695 41.470 0.225 19654 1884 1 3 . 1 1 77 77 LEU H H 77 7.883 7.883 8.474 -0.591 19654 1885 1 3 . 1 1 78 78 SER N N 78 115.268 115.268 114.085 1.183 19654 1886 1 3 . 1 1 78 78 SER HA H 78 3.962 3.962 4.111 -0.149 19654 1887 1 3 . 1 1 78 78 SER CA C 78 62.337 62.337 61.694 0.643 19654 1888 1 3 . 1 1 78 78 SER CB C 78 62.218 62.218 62.935 -0.717 19654 1889 1 3 . 1 1 78 78 SER H H 78 8.185 8.185 7.898 0.287 19654 1890 1 3 . 1 1 79 79 ARG N N 79 119.021 119.021 120.268 -1.247 19654 1891 1 3 . 1 1 79 79 ARG HA H 79 4.090 4.090 4.069 0.021 19654 1892 1 3 . 1 1 79 79 ARG CA C 79 58.849 58.849 58.849 0.000 19654 1893 1 3 . 1 1 79 79 ARG CB C 79 29.930 29.930 29.660 0.270 19654 1894 1 3 . 1 1 79 79 ARG H H 79 7.684 7.684 7.902 -0.218 19654 1895 1 3 . 1 1 80 80 VAL N N 80 116.979 116.979 120.329 -3.350 19654 1896 1 3 . 1 1 80 80 VAL HA H 80 3.953 3.953 4.002 -0.049 19654 1897 1 3 . 1 1 80 80 VAL CA C 80 64.228 64.228 66.267 -2.039 19654 1898 1 3 . 1 1 80 80 VAL CB C 80 32.210 32.210 31.754 0.456 19654 1899 1 3 . 1 1 80 80 VAL H H 80 7.479 7.479 7.505 -0.026 19654 1900 1 3 . 1 1 81 81 MET N N 81 117.822 117.822 118.447 -0.625 19654 1901 1 3 . 1 1 81 81 MET HA H 81 4.053 4.053 4.211 -0.158 19654 1902 1 3 . 1 1 81 81 MET CA C 81 58.322 58.322 57.554 0.767 19654 1903 1 3 . 1 1 81 81 MET CB C 81 32.555 32.555 31.535 1.020 19654 1904 1 3 . 1 1 81 81 MET H H 81 8.104 8.104 8.288 -0.184 19654 1905 1 3 . 1 1 82 82 ILE N N 82 116.348 116.348 119.090 -2.742 19654 1906 1 3 . 1 1 82 82 ILE HA H 82 3.815 3.815 3.828 -0.013 19654 1907 1 3 . 1 1 82 82 ILE CA C 82 63.653 63.653 64.891 -1.238 19654 1908 1 3 . 1 1 82 82 ILE CB C 82 37.879 37.879 37.442 0.437 19654 1909 1 3 . 1 1 82 82 ILE H H 82 7.789 7.789 8.105 -0.316 19654 1910 1 3 . 1 1 83 83 HIS N N 83 118.994 118.994 118.797 0.197 19654 1911 1 3 . 1 1 83 83 HIS HA H 83 4.409 4.409 4.365 0.044 19654 1912 1 3 . 1 1 83 83 HIS CA C 83 58.245 58.245 59.849 -1.604 19654 1913 1 3 . 1 1 83 83 HIS CB C 83 29.735 29.735 29.338 0.397 19654 1914 1 3 . 1 1 83 83 HIS H H 83 7.543 7.543 7.589 -0.046 19654 1915 1 3 . 1 1 84 84 VAL N N 84 117.112 117.112 120.017 -2.905 19654 1916 1 3 . 1 1 84 84 VAL HA H 84 3.631 3.631 3.607 0.024 19654 1917 1 3 . 1 1 84 84 VAL CA C 84 64.628 64.628 66.294 -1.666 19654 1918 1 3 . 1 1 84 84 VAL CB C 84 31.904 31.904 31.417 0.487 19654 1919 1 3 . 1 1 84 84 VAL H H 84 7.713 7.713 7.778 -0.065 19654 1920 1 3 . 1 1 85 85 PHE N N 85 115.531 115.531 114.666 0.865 19654 1921 1 3 . 1 1 85 85 PHE HA H 85 4.733 4.733 4.493 0.240 19654 1922 1 3 . 1 1 85 85 PHE CA C 85 57.326 57.326 58.436 -1.110 19654 1923 1 3 . 1 1 85 85 PHE CB C 85 39.507 39.507 37.713 1.794 19654 1924 1 3 . 1 1 85 85 PHE H H 85 7.743 7.743 7.586 0.157 19654 1925 1 3 . 1 1 86 86 SER N N 86 114.812 114.812 115.311 -0.499 19654 1926 1 3 . 1 1 86 86 SER HA H 86 4.275 4.275 4.317 -0.042 19654 1927 1 3 . 1 1 86 86 SER CA C 86 59.832 59.832 60.106 -0.274 19654 1928 1 3 . 1 1 86 86 SER CB C 86 63.482 63.482 63.793 -0.311 19654 1929 1 3 . 1 1 86 86 SER H H 86 7.634 7.634 7.728 -0.094 19654 1930 1 3 . 1 1 87 87 ASP N N 87 120.986 120.986 123.087 -2.101 19654 1931 1 3 . 1 1 87 87 ASP HA H 87 4.491 4.491 4.574 -0.083 19654 1932 1 3 . 1 1 87 87 ASP CA C 87 54.032 54.032 55.247 -1.215 19654 1933 1 3 . 1 1 87 87 ASP CB C 87 40.411 40.411 40.786 -0.375 19654 1934 1 3 . 1 1 87 87 ASP H H 87 8.043 8.043 7.887 0.156 19654 1935 1 3 . 1 1 88 88 GLY N N 88 108.171 108.171 112.458 -4.287 19654 1936 1 3 . 1 1 88 88 GLY CA C 88 44.981 44.981 45.025 -0.044 19654 1937 1 3 . 1 1 88 88 GLY H H 88 8.163 8.163 8.597 -0.434 19654 1938 1 3 . 1 1 89 89 VAL N N 89 121.716 121.716 121.819 -0.103 19654 1939 1 3 . 1 1 89 89 VAL HA H 89 3.879 3.879 3.768 0.111 19654 1940 1 3 . 1 1 89 89 VAL CA C 89 62.471 62.471 63.696 -1.225 19654 1941 1 3 . 1 1 89 89 VAL CB C 89 32.418 32.418 31.732 0.686 19654 1942 1 3 . 1 1 89 89 VAL H H 89 7.886 7.886 8.094 -0.208 19654 1943 1 3 . 1 1 90 90 THR N N 90 121.669 121.669 110.335 11.334 19654 1944 1 3 . 1 1 90 90 THR HA H 90 3.657 3.657 3.554 0.103 19654 1945 1 3 . 1 1 90 90 THR CA C 90 62.473 62.473 64.550 -2.077 19654 1946 1 3 . 1 1 90 90 THR CB C 90 68.528 68.528 66.900 1.628 19654 1947 1 3 . 1 1 90 90 THR H H 90 8.201 8.201 8.347 -0.146 19654 1948 1 3 . 1 1 91 91 ASN HA H 91 4.162 4.162 3.819 0.343 19654 1949 1 3 . 1 1 91 91 ASN CA C 91 51.748 51.748 53.413 -1.665 19654 1950 1 3 . 1 1 91 91 ASN CB C 91 39.645 39.645 38.629 1.016 19654 1951 1 3 . 1 1 91 91 ASN H H 91 8.826 8.826 8.022 0.804 19654 1952 1 3 . 1 1 92 92 TRP N N 92 118.437 118.437 119.800 -1.363 19654 1953 1 3 . 1 1 92 92 TRP HA H 92 4.739 4.739 4.426 0.313 19654 1954 1 3 . 1 1 92 92 TRP CA C 92 60.233 60.233 57.081 3.152 19654 1955 1 3 . 1 1 92 92 TRP CB C 92 30.167 30.167 28.596 1.571 19654 1956 1 3 . 1 1 92 92 TRP H H 92 8.942 8.942 7.619 1.323 19654 1957 1 3 . 1 1 93 93 GLY N N 93 108.154 108.154 108.950 -0.796 19654 1958 1 3 . 1 1 93 93 GLY CA C 93 47.544 47.544 46.853 0.691 19654 1959 1 3 . 1 1 93 93 GLY H H 93 8.697 8.697 8.180 0.517 19654 1960 1 3 . 1 1 94 94 ARG N N 94 122.547 122.547 120.508 2.039 19654 1961 1 3 . 1 1 94 94 ARG HA H 94 4.072 4.072 4.069 0.003 19654 1962 1 3 . 1 1 94 94 ARG CA C 94 58.556 58.556 58.161 0.395 19654 1963 1 3 . 1 1 94 94 ARG CB C 94 30.201 30.201 29.454 0.747 19654 1964 1 3 . 1 1 94 94 ARG H H 94 8.353 8.353 7.494 0.859 19654 1965 1 3 . 1 1 95 95 ILE N N 95 120.130 120.130 119.952 0.178 19654 1966 1 3 . 1 1 95 95 ILE HA H 95 3.708 3.708 3.878 -0.170 19654 1967 1 3 . 1 1 95 95 ILE CA C 95 65.511 65.511 63.717 1.794 19654 1968 1 3 . 1 1 95 95 ILE CB C 95 37.486 37.486 36.777 0.709 19654 1969 1 3 . 1 1 95 95 ILE H H 95 7.545 7.545 7.550 -0.005 19654 1970 1 3 . 1 1 96 96 VAL N N 96 119.403 119.403 120.503 -1.100 19654 1971 1 3 . 1 1 96 96 VAL HA H 96 3.723 3.723 3.711 0.012 19654 1972 1 3 . 1 1 96 96 VAL CA C 96 67.249 67.249 67.458 -0.209 19654 1973 1 3 . 1 1 96 96 VAL CB C 96 31.001 31.001 31.371 -0.370 19654 1974 1 3 . 1 1 96 96 VAL H H 96 8.990 8.990 7.836 1.154 19654 1975 1 3 . 1 1 97 97 THR N N 97 122.016 122.016 116.446 5.570 19654 1976 1 3 . 1 1 97 97 THR HA H 97 3.784 3.784 3.994 -0.210 19654 1977 1 3 . 1 1 97 97 THR CA C 97 68.159 68.159 66.745 1.414 19654 1978 1 3 . 1 1 97 97 THR CB C 97 67.212 67.212 68.642 -1.430 19654 1979 1 3 . 1 1 97 97 THR H H 97 8.605 8.605 7.694 0.910 19654 1980 1 3 . 1 1 98 98 LEU N N 98 122.476 122.476 123.658 -1.182 19654 1981 1 3 . 1 1 98 98 LEU HA H 98 3.805 3.805 4.064 -0.259 19654 1982 1 3 . 1 1 98 98 LEU CA C 98 58.818 58.818 58.260 0.558 19654 1983 1 3 . 1 1 98 98 LEU CB C 98 41.158 41.158 41.789 -0.631 19654 1984 1 3 . 1 1 98 98 LEU H H 98 7.769 7.769 8.096 -0.327 19654 1985 1 3 . 1 1 99 99 ILE N N 99 117.997 117.997 117.974 0.023 19654 1986 1 3 . 1 1 99 99 ILE HA H 99 3.509 3.509 3.678 -0.169 19654 1987 1 3 . 1 1 99 99 ILE CA C 99 66.261 66.261 65.437 0.824 19654 1988 1 3 . 1 1 99 99 ILE CB C 99 38.350 38.350 37.416 0.933 19654 1989 1 3 . 1 1 99 99 ILE H H 99 8.175 8.175 8.193 -0.018 19654 1990 1 3 . 1 1 100 100 SER N N 100 116.934 116.934 116.967 -0.033 19654 1991 1 3 . 1 1 100 100 SER HA H 100 4.447 4.447 4.544 -0.097 19654 1992 1 3 . 1 1 100 100 SER CA C 100 63.290 63.290 62.344 0.946 19654 1993 1 3 . 1 1 100 100 SER CB C 100 62.867 62.867 63.249 -0.382 19654 1994 1 3 . 1 1 100 100 SER H H 100 8.989 8.989 8.540 0.449 19654 1995 1 3 . 1 1 101 101 PHE N N 101 124.640 124.640 122.657 1.983 19654 1996 1 3 . 1 1 101 101 PHE HA H 101 3.420 3.420 3.709 -0.289 19654 1997 1 3 . 1 1 101 101 PHE CA C 101 60.499 60.499 59.666 0.833 19654 1998 1 3 . 1 1 101 101 PHE CB C 101 37.333 37.333 38.504 -1.171 19654 1999 1 3 . 1 1 101 101 PHE H H 101 8.513 8.513 8.413 0.100 19654 2000 1 3 . 1 1 102 102 GLY N N 102 106.116 106.116 106.841 -0.725 19654 2001 1 3 . 1 1 102 102 GLY CA C 102 48.166 48.166 47.076 1.090 19654 2002 1 3 . 1 1 102 102 GLY H H 102 8.111 8.111 8.206 -0.094 19654 2003 1 3 . 1 1 103 103 ALA N N 103 124.560 124.560 124.383 0.177 19654 2004 1 3 . 1 1 103 103 ALA HA H 103 3.780 3.780 3.915 -0.135 19654 2005 1 3 . 1 1 103 103 ALA CA C 103 55.646 55.646 54.592 1.054 19654 2006 1 3 . 1 1 103 103 ALA CB C 103 18.476 18.476 18.457 0.018 19654 2007 1 3 . 1 1 103 103 ALA H H 103 8.437 8.437 8.013 0.424 19654 2008 1 3 . 1 1 104 104 PHE N N 104 120.981 120.981 120.018 0.963 19654 2009 1 3 . 1 1 104 104 PHE HA H 104 3.989 3.989 4.140 -0.151 19654 2010 1 3 . 1 1 104 104 PHE CA C 104 62.258 62.258 61.677 0.581 19654 2011 1 3 . 1 1 104 104 PHE CB C 104 39.949 39.949 39.467 0.482 19654 2012 1 3 . 1 1 104 104 PHE H H 104 8.213 8.213 8.105 0.108 19654 2013 1 3 . 1 1 105 105 VAL N N 105 120.473 120.473 119.190 1.283 19654 2014 1 3 . 1 1 105 105 VAL HA H 105 3.236 3.236 3.515 -0.279 19654 2015 1 3 . 1 1 105 105 VAL CA C 105 66.348 66.348 66.584 -0.236 19654 2016 1 3 . 1 1 105 105 VAL CB C 105 30.720 30.720 30.979 -0.259 19654 2017 1 3 . 1 1 105 105 VAL H H 105 8.513 8.513 8.174 0.339 19654 2018 1 3 . 1 1 106 106 ALA N N 106 123.948 123.948 122.951 0.997 19654 2019 1 3 . 1 1 106 106 ALA HA H 106 3.660 3.660 3.794 -0.134 19654 2020 1 3 . 1 1 106 106 ALA CA C 106 55.607 55.607 55.509 0.098 19654 2021 1 3 . 1 1 106 106 ALA CB C 106 18.003 18.003 17.985 0.018 19654 2022 1 3 . 1 1 106 106 ALA H H 106 8.807 8.807 8.153 0.654 19654 2023 1 3 . 1 1 107 107 LYS N N 107 115.836 115.836 118.419 -2.583 19654 2024 1 3 . 1 1 107 107 LYS HA H 107 3.733 3.733 3.824 -0.091 19654 2025 1 3 . 1 1 107 107 LYS CA C 107 60.462 60.462 59.695 0.767 19654 2026 1 3 . 1 1 107 107 LYS CB C 107 31.907 31.907 32.026 -0.119 19654 2027 1 3 . 1 1 107 107 LYS H H 107 7.934 7.934 7.696 0.238 19654 2028 1 3 . 1 1 108 108 HIS N N 108 120.459 120.459 119.146 1.313 19654 2029 1 3 . 1 1 108 108 HIS HA H 108 4.212 4.212 4.314 -0.102 19654 2030 1 3 . 1 1 108 108 HIS CA C 108 59.623 59.623 59.171 0.452 19654 2031 1 3 . 1 1 108 108 HIS CB C 108 29.838 29.838 29.677 0.161 19654 2032 1 3 . 1 1 108 108 HIS H H 108 7.254 7.254 7.370 -0.116 19654 2033 1 3 . 1 1 109 109 LEU N N 109 118.336 118.336 120.478 -2.142 19654 2034 1 3 . 1 1 109 109 LEU HA H 109 3.640 3.640 3.756 -0.116 19654 2035 1 3 . 1 1 109 109 LEU CA C 109 56.945 56.945 58.091 -1.146 19654 2036 1 3 . 1 1 109 109 LEU CB C 109 39.709 39.709 41.692 -1.983 19654 2037 1 3 . 1 1 109 109 LEU H H 109 8.709 8.709 8.552 0.157 19654 2038 1 3 . 1 1 110 110 LYS N N 110 118.036 118.036 118.734 -0.698 19654 2039 1 3 . 1 1 110 110 LYS HA H 110 3.944 3.944 3.899 0.045 19654 2040 1 3 . 1 1 110 110 LYS CA C 110 58.967 58.967 59.684 -0.718 19654 2041 1 3 . 1 1 110 110 LYS CB C 110 32.220 32.220 32.236 -0.015 19654 2042 1 3 . 1 1 110 110 LYS H H 110 7.752 7.752 8.209 -0.457 19654 2043 1 3 . 1 1 111 111 THR N N 111 115.985 115.985 116.073 -0.088 19654 2044 1 3 . 1 1 111 111 THR HA H 111 3.990 3.990 4.001 -0.011 19654 2045 1 3 . 1 1 111 111 THR CA C 111 65.921 65.921 66.064 -0.143 19654 2046 1 3 . 1 1 111 111 THR CB C 111 68.611 68.611 68.791 -0.180 19654 2047 1 3 . 1 1 111 111 THR H H 111 7.832 7.832 7.697 0.135 19654 2048 1 3 . 1 1 112 112 ILE N N 112 112.606 112.606 114.366 -1.760 19654 2049 1 3 . 1 1 112 112 ILE HA H 112 4.454 4.454 4.335 0.119 19654 2050 1 3 . 1 1 112 112 ILE CA C 112 60.922 60.922 60.813 0.109 19654 2051 1 3 . 1 1 112 112 ILE CB C 112 36.813 36.813 37.279 -0.466 19654 2052 1 3 . 1 1 112 112 ILE H H 112 7.262 7.262 7.378 -0.116 19654 2053 1 3 . 1 1 113 113 ASN N N 113 116.297 116.297 115.760 0.537 19654 2054 1 3 . 1 1 113 113 ASN HA H 113 4.576 4.576 4.398 0.178 19654 2055 1 3 . 1 1 113 113 ASN CA C 113 54.653 54.653 55.081 -0.428 19654 2056 1 3 . 1 1 113 113 ASN CB C 113 36.497 36.497 37.141 -0.644 19654 2057 1 3 . 1 1 113 113 ASN H H 113 7.816 7.816 7.876 -0.060 19654 2058 1 3 . 1 1 114 114 GLN N N 114 117.958 117.958 117.186 0.772 19654 2059 1 3 . 1 1 114 114 GLN HA H 114 4.739 4.739 4.410 0.329 19654 2060 1 3 . 1 1 114 114 GLN CA C 114 54.079 54.079 54.904 -0.825 19654 2061 1 3 . 1 1 114 114 GLN CB C 114 28.840 28.840 27.710 1.130 19654 2062 1 3 . 1 1 114 114 GLN H H 114 8.522 8.522 8.318 0.204 19654 2063 1 3 . 1 1 115 115 GLU N N 115 120.597 120.597 122.120 -1.523 19654 2064 1 3 . 1 1 115 115 GLU HA H 115 3.646 3.646 3.970 -0.324 19654 2065 1 3 . 1 1 115 115 GLU CA C 115 59.569 59.569 59.818 -0.249 19654 2066 1 3 . 1 1 115 115 GLU CB C 115 29.061 29.061 29.071 -0.010 19654 2067 1 3 . 1 1 115 115 GLU H H 115 8.881 8.881 8.558 0.323 19654 2068 1 3 . 1 1 116 116 SER N N 116 115.352 115.352 114.959 0.393 19654 2069 1 3 . 1 1 116 116 SER HA H 116 4.250 4.250 4.157 0.093 19654 2070 1 3 . 1 1 116 116 SER CA C 116 60.593 60.593 61.133 -0.540 19654 2071 1 3 . 1 1 116 116 SER CB C 116 62.231 62.231 62.927 -0.696 19654 2072 1 3 . 1 1 116 116 SER H H 116 8.702 8.702 8.617 0.085 19654 2073 1 3 . 1 1 117 117 SER N N 117 116.944 116.944 118.489 -1.545 19654 2074 1 3 . 1 1 117 117 SER HA H 117 4.461 4.461 4.200 0.261 19654 2075 1 3 . 1 1 117 117 SER CA C 117 60.219 60.219 61.055 -0.836 19654 2076 1 3 . 1 1 117 117 SER CB C 117 64.116 64.116 63.030 1.086 19654 2077 1 3 . 1 1 117 117 SER H H 117 7.963 7.963 7.823 0.140 19654 2078 1 3 . 1 1 118 118 ILE N N 118 122.505 122.505 121.739 0.766 19654 2079 1 3 . 1 1 118 118 ILE HA H 118 3.419 3.419 3.552 -0.133 19654 2080 1 3 . 1 1 118 118 ILE CA C 118 66.227 66.227 65.466 0.761 19654 2081 1 3 . 1 1 118 118 ILE CB C 118 36.723 36.723 37.627 -0.904 19654 2082 1 3 . 1 1 118 118 ILE H H 118 7.945 7.945 7.706 0.239 19654 2083 1 3 . 1 1 119 119 GLU N N 119 119.604 119.604 119.425 0.179 19654 2084 1 3 . 1 1 119 119 GLU HA H 119 4.244 4.244 4.203 0.041 19654 2085 1 3 . 1 1 119 119 GLU CA C 119 61.540 61.540 61.021 0.519 19654 2086 1 3 . 1 1 119 119 GLU CB C 119 26.092 26.092 27.776 -1.685 19654 2087 1 3 . 1 1 119 119 GLU H H 119 8.244 8.244 7.735 0.509 19654 2088 1 3 . 1 1 120 120 PRO HA H 120 4.446 4.446 4.419 0.027 19654 2089 1 3 . 1 1 120 120 PRO CA C 120 65.583 65.583 65.420 0.163 19654 2090 1 3 . 1 1 120 120 PRO CB C 120 30.167 30.167 31.452 -1.285 19654 2091 1 3 . 1 1 121 121 LEU N N 121 120.974 120.974 119.902 1.072 19654 2092 1 3 . 1 1 121 121 LEU HA H 121 3.990 3.990 4.045 -0.055 19654 2093 1 3 . 1 1 121 121 LEU CA C 121 58.436 58.436 57.734 0.702 19654 2094 1 3 . 1 1 121 121 LEU CB C 121 40.988 40.988 41.661 -0.673 19654 2095 1 3 . 1 1 121 121 LEU H H 121 7.587 7.587 8.139 -0.552 19654 2096 1 3 . 1 1 122 122 ALA N N 122 121.982 121.982 121.414 0.568 19654 2097 1 3 . 1 1 122 122 ALA HA H 122 3.743 3.743 3.879 -0.136 19654 2098 1 3 . 1 1 122 122 ALA CA C 122 55.233 55.233 55.299 -0.066 19654 2099 1 3 . 1 1 122 122 ALA CB C 122 17.687 17.687 17.916 -0.229 19654 2100 1 3 . 1 1 122 122 ALA H H 122 8.593 8.593 8.164 0.429 19654 2101 1 3 . 1 1 123 123 GLU N N 123 120.516 120.516 118.105 2.411 19654 2102 1 3 . 1 1 123 123 GLU HA H 123 3.862 3.862 3.865 -0.003 19654 2103 1 3 . 1 1 123 123 GLU CA C 123 59.995 59.995 59.323 0.672 19654 2104 1 3 . 1 1 123 123 GLU CB C 123 29.298 29.298 29.545 -0.247 19654 2105 1 3 . 1 1 123 123 GLU H H 123 8.568 8.568 8.451 0.117 19654 2106 1 3 . 1 1 124 124 SER N N 124 116.054 116.054 116.403 -0.349 19654 2107 1 3 . 1 1 124 124 SER HA H 124 4.367 4.367 4.214 0.153 19654 2108 1 3 . 1 1 124 124 SER CA C 124 62.240 62.240 62.151 0.089 19654 2109 1 3 . 1 1 124 124 SER CB C 124 63.074 63.074 63.063 0.011 19654 2110 1 3 . 1 1 124 124 SER H H 124 8.282 8.282 7.983 0.299 19654 2111 1 3 . 1 1 125 125 ILE N N 125 120.575 120.575 122.837 -2.262 19654 2112 1 3 . 1 1 125 125 ILE HA H 125 3.627 3.627 3.810 -0.183 19654 2113 1 3 . 1 1 125 125 ILE CA C 125 64.655 64.655 64.552 0.103 19654 2114 1 3 . 1 1 125 125 ILE CB C 125 37.413 37.413 36.816 0.596 19654 2115 1 3 . 1 1 125 125 ILE H H 125 8.343 8.343 8.262 0.081 19654 2116 1 3 . 1 1 126 126 THR N N 126 116.459 116.459 115.798 0.661 19654 2117 1 3 . 1 1 126 126 THR HA H 126 3.482 3.482 3.973 -0.491 19654 2118 1 3 . 1 1 126 126 THR CA C 126 68.679 68.679 67.185 1.494 19654 2119 1 3 . 1 1 126 126 THR CB C 126 67.075 67.075 67.904 -0.829 19654 2120 1 3 . 1 1 126 126 THR H H 126 8.056 8.056 8.248 -0.192 19654 2121 1 3 . 1 1 127 127 ASP N N 127 120.236 120.236 122.248 -2.012 19654 2122 1 3 . 1 1 127 127 ASP HA H 127 4.481 4.481 4.582 -0.101 19654 2123 1 3 . 1 1 127 127 ASP CA C 127 58.322 58.322 57.630 0.692 19654 2124 1 3 . 1 1 127 127 ASP CB C 127 41.822 41.822 40.921 0.901 19654 2125 1 3 . 1 1 127 127 ASP H H 127 8.813 8.813 8.171 0.642 19654 2126 1 3 . 1 1 128 128 VAL N N 128 116.904 116.904 119.593 -2.689 19654 2127 1 3 . 1 1 128 128 VAL HA H 128 3.677 3.677 3.737 -0.060 19654 2128 1 3 . 1 1 128 128 VAL CA C 128 66.346 66.346 66.402 -0.056 19654 2129 1 3 . 1 1 128 128 VAL CB C 128 31.351 31.351 31.439 -0.088 19654 2130 1 3 . 1 1 128 128 VAL H H 128 7.949 7.949 8.222 -0.273 19654 2131 1 3 . 1 1 129 129 LEU N N 129 121.043 121.043 121.186 -0.143 19654 2132 1 3 . 1 1 129 129 LEU HA H 129 3.819 3.819 3.909 -0.090 19654 2133 1 3 . 1 1 129 129 LEU CA C 129 58.742 58.742 58.382 0.360 19654 2134 1 3 . 1 1 129 129 LEU CB C 129 42.370 42.370 41.913 0.457 19654 2135 1 3 . 1 1 129 129 LEU H H 129 8.198 8.198 8.002 0.196 19654 2136 1 3 . 1 1 130 130 VAL N N 130 114.370 114.370 117.886 -3.516 19654 2137 1 3 . 1 1 130 130 VAL HA H 130 3.525 3.525 3.691 -0.166 19654 2138 1 3 . 1 1 130 130 VAL CA C 130 66.004 66.004 66.283 -0.279 19654 2139 1 3 . 1 1 130 130 VAL CB C 130 31.320 31.320 31.676 -0.356 19654 2140 1 3 . 1 1 130 130 VAL H H 130 8.858 8.858 8.464 0.394 19654 2141 1 3 . 1 1 131 131 ARG N N 131 115.890 115.890 119.609 -3.719 19654 2142 1 3 . 1 1 131 131 ARG HA H 131 4.284 4.284 4.140 0.144 19654 2143 1 3 . 1 1 131 131 ARG CA C 131 59.255 59.255 58.730 0.525 19654 2144 1 3 . 1 1 131 131 ARG CB C 131 30.009 30.009 30.134 -0.125 19654 2145 1 3 . 1 1 131 131 ARG H H 131 8.619 8.619 8.210 0.409 19654 2146 1 3 . 1 1 132 132 THR N N 132 106.654 106.654 108.822 -2.168 19654 2147 1 3 . 1 1 132 132 THR HA H 132 4.464 4.464 4.408 0.056 19654 2148 1 3 . 1 1 132 132 THR CA C 132 64.081 64.081 62.630 1.451 19654 2149 1 3 . 1 1 132 132 THR CB C 132 69.870 69.870 69.883 -0.013 19654 2150 1 3 . 1 1 132 132 THR H H 132 7.530 7.530 7.873 -0.343 19654 2151 1 3 . 1 1 133 133 LYS N N 133 117.426 117.426 119.482 -2.056 19654 2152 1 3 . 1 1 133 133 LYS HA H 133 5.029 5.029 4.936 0.093 19654 2153 1 3 . 1 1 133 133 LYS CA C 133 53.009 53.009 55.007 -1.998 19654 2154 1 3 . 1 1 133 133 LYS CB C 133 31.044 31.044 33.081 -2.037 19654 2155 1 3 . 1 1 133 133 LYS H H 133 7.691 7.691 7.968 -0.277 19654 2156 1 3 . 1 1 134 134 ARG N N 134 120.904 120.904 121.894 -0.990 19654 2157 1 3 . 1 1 134 134 ARG HA H 134 3.679 3.679 3.974 -0.295 19654 2158 1 3 . 1 1 134 134 ARG CA C 134 61.456 61.456 60.795 0.661 19654 2159 1 3 . 1 1 134 134 ARG CB C 134 30.261 30.261 29.974 0.287 19654 2160 1 3 . 1 1 134 134 ARG H H 134 7.341 7.341 7.706 -0.365 19654 2161 1 3 . 1 1 135 135 ASP N N 135 114.262 114.262 118.460 -4.198 19654 2162 1 3 . 1 1 135 135 ASP HA H 135 4.238 4.238 4.346 -0.108 19654 2163 1 3 . 1 1 135 135 ASP CA C 135 57.595 57.595 57.833 -0.238 19654 2164 1 3 . 1 1 135 135 ASP CB C 135 39.961 39.961 39.952 0.009 19654 2165 1 3 . 1 1 135 135 ASP H H 135 8.386 8.386 8.921 -0.535 19654 2166 1 3 . 1 1 136 136 TRP N N 136 121.564 121.564 119.102 2.462 19654 2167 1 3 . 1 1 136 136 TRP HA H 136 3.858 3.858 4.412 -0.554 19654 2168 1 3 . 1 1 136 136 TRP CA C 136 62.373 62.373 60.103 2.270 19654 2169 1 3 . 1 1 136 136 TRP CB C 136 28.807 28.807 29.445 -0.638 19654 2170 1 3 . 1 1 136 136 TRP H H 136 7.844 7.844 7.899 -0.055 19654 2171 1 3 . 1 1 137 137 LEU N N 137 117.395 117.395 119.922 -2.527 19654 2172 1 3 . 1 1 137 137 LEU HA H 137 3.461 3.461 3.833 -0.372 19654 2173 1 3 . 1 1 137 137 LEU CA C 137 58.325 58.325 58.208 0.117 19654 2174 1 3 . 1 1 137 137 LEU CB C 137 42.979 42.979 41.565 1.414 19654 2175 1 3 . 1 1 137 137 LEU H H 137 8.623 8.623 8.561 0.062 19654 2176 1 3 . 1 1 138 138 VAL N N 138 118.341 118.341 118.112 0.229 19654 2177 1 3 . 1 1 138 138 VAL HA H 138 3.586 3.586 3.832 -0.246 19654 2178 1 3 . 1 1 138 138 VAL CA C 138 66.501 66.501 65.366 1.135 19654 2179 1 3 . 1 1 138 138 VAL CB C 138 31.588 31.588 32.072 -0.484 19654 2180 1 3 . 1 1 138 138 VAL H H 138 8.631 8.631 7.947 0.684 19654 2181 1 3 . 1 1 139 139 LYS N N 139 122.096 122.096 119.919 2.177 19654 2182 1 3 . 1 1 139 139 LYS HA H 139 3.941 3.941 4.181 -0.240 19654 2183 1 3 . 1 1 139 139 LYS CA C 139 58.925 58.925 58.327 0.598 19654 2184 1 3 . 1 1 139 139 LYS CB C 139 31.752 31.752 32.464 -0.712 19654 2185 1 3 . 1 1 139 139 LYS H H 139 7.695 7.695 8.271 -0.576 19654 2186 1 3 . 1 1 140 140 GLN N N 140 115.416 115.416 115.608 -0.192 19654 2187 1 3 . 1 1 140 140 GLN HA H 140 3.970 3.970 4.529 -0.559 19654 2188 1 3 . 1 1 140 140 GLN CA C 140 54.309 54.309 54.915 -0.606 19654 2189 1 3 . 1 1 140 140 GLN CB C 140 27.174 27.174 30.043 -2.869 19654 2190 1 3 . 1 1 140 140 GLN H H 140 7.344 7.344 8.141 -0.797 19654 2191 1 3 . 1 1 141 141 ARG N N 141 110.160 110.160 116.849 -6.689 19654 2192 1 3 . 1 1 141 141 ARG HA H 141 3.899 3.899 4.013 -0.114 19654 2193 1 3 . 1 1 141 141 ARG CA C 141 57.400 57.400 56.263 1.137 19654 2194 1 3 . 1 1 141 141 ARG CB C 141 25.640 25.640 27.107 -1.467 19654 2195 1 3 . 1 1 141 141 ARG H H 141 7.677 7.677 7.807 -0.130 19654 2196 1 3 . 1 1 142 142 GLY N N 142 107.741 107.741 107.525 0.216 19654 2197 1 3 . 1 1 142 142 GLY CA C 142 45.633 45.633 46.519 -0.886 19654 2198 1 3 . 1 1 142 142 GLY H H 142 8.931 8.931 8.397 0.534 19654 2199 1 3 . 1 1 143 143 TRP N N 143 123.871 123.871 120.283 3.588 19654 2200 1 3 . 1 1 143 143 TRP HA H 143 4.273 4.273 4.228 0.045 19654 2201 1 3 . 1 1 143 143 TRP CA C 143 59.317 59.317 59.933 -0.616 19654 2202 1 3 . 1 1 143 143 TRP CB C 143 28.435 28.435 29.058 -0.623 19654 2203 1 3 . 1 1 143 143 TRP H H 143 9.004 9.004 7.584 1.420 19654 2204 1 3 . 1 1 144 144 ASP N N 144 119.481 119.481 118.277 1.204 19654 2205 1 3 . 1 1 144 144 ASP HA H 144 4.553 4.553 4.423 0.130 19654 2206 1 3 . 1 1 144 144 ASP CA C 144 57.825 57.825 57.468 0.357 19654 2207 1 3 . 1 1 144 144 ASP CB C 144 40.435 40.435 40.310 0.125 19654 2208 1 3 . 1 1 144 144 ASP H H 144 8.071 8.071 8.162 -0.091 19654 2209 1 3 . 1 1 145 145 GLY N N 145 109.653 109.653 108.004 1.649 19654 2210 1 3 . 1 1 145 145 GLY CA C 145 46.856 46.856 46.601 0.255 19654 2211 1 3 . 1 1 145 145 GLY H H 145 7.493 7.493 8.575 -1.082 19654 2212 1 3 . 1 1 146 146 PHE N N 146 124.053 124.053 123.109 0.944 19654 2213 1 3 . 1 1 146 146 PHE HA H 146 2.455 2.455 4.171 -1.716 19654 2214 1 3 . 1 1 146 146 PHE CA C 146 60.349 60.349 60.910 -0.561 19654 2215 1 3 . 1 1 146 146 PHE CB C 146 38.607 38.607 39.394 -0.787 19654 2216 1 3 . 1 1 146 146 PHE H H 146 7.257 7.257 8.118 -0.861 19654 2217 1 3 . 1 1 147 147 VAL N N 147 116.525 116.525 117.333 -0.808 19654 2218 1 3 . 1 1 147 147 VAL HA H 147 3.298 3.298 3.637 -0.339 19654 2219 1 3 . 1 1 147 147 VAL CA C 147 66.080 66.080 66.221 -0.141 19654 2220 1 3 . 1 1 147 147 VAL CB C 147 31.904 31.904 31.119 0.785 19654 2221 1 3 . 1 1 147 147 VAL H H 147 7.700 7.700 7.634 0.066 19654 2222 1 3 . 1 1 148 148 GLU N N 148 118.404 118.404 119.523 -1.119 19654 2223 1 3 . 1 1 148 148 GLU HA H 148 3.985 3.985 4.087 -0.102 19654 2224 1 3 . 1 1 148 148 GLU CA C 148 58.933 58.933 58.961 -0.028 19654 2225 1 3 . 1 1 148 148 GLU CB C 148 29.535 29.535 29.284 0.251 19654 2226 1 3 . 1 1 148 148 GLU H H 148 7.801 7.801 7.634 0.167 19654 2227 1 3 . 1 1 149 149 PHE N N 149 120.305 120.305 122.950 -2.645 19654 2228 1 3 . 1 1 149 149 PHE HA H 149 3.970 3.970 4.413 -0.443 19654 2229 1 3 . 1 1 149 149 PHE CA C 149 61.341 61.341 60.590 0.751 19654 2230 1 3 . 1 1 149 149 PHE CB C 149 39.011 39.011 39.383 -0.372 19654 2231 1 3 . 1 1 149 149 PHE H H 149 8.358 8.358 8.285 0.073 19654 2232 1 3 . 1 1 150 150 PHE N N 150 112.582 112.582 115.317 -2.735 19654 2233 1 3 . 1 1 150 150 PHE HA H 150 4.255 4.255 4.105 0.150 19654 2234 1 3 . 1 1 150 150 PHE CA C 150 59.075 59.075 58.663 0.412 19654 2235 1 3 . 1 1 150 150 PHE CB C 150 39.487 39.487 38.710 0.777 19654 2236 1 3 . 1 1 150 150 PHE H H 150 6.927 6.927 7.494 -0.567 19654 2237 1 3 . 1 1 151 151 HIS N N 151 118.966 118.966 115.850 3.116 19654 2238 1 3 . 1 1 151 151 HIS HA H 151 4.370 4.370 4.293 0.077 19654 2239 1 3 . 1 1 151 151 HIS CA C 151 56.788 56.788 57.020 -0.232 19654 2240 1 3 . 1 1 151 151 HIS CB C 151 28.827 28.827 28.199 0.628 19654 2241 1 3 . 1 1 151 151 HIS H H 151 7.483 7.483 7.598 -0.115 19654 2242 1 3 . 1 1 152 152 VAL N N 152 120.499 120.499 118.423 2.076 19654 2243 1 3 . 1 1 152 152 VAL HA H 152 3.950 3.950 3.811 0.139 19654 2244 1 3 . 1 1 152 152 VAL CA C 152 62.110 62.110 65.841 -3.731 19654 2245 1 3 . 1 1 152 152 VAL CB C 152 32.593 32.593 32.111 0.482 19654 2246 1 3 . 1 1 152 152 VAL H H 152 8.103 8.103 7.769 0.334 19654 2247 1 3 . 1 1 153 153 GLU N N 153 123.580 123.580 116.001 7.579 19654 2248 1 3 . 1 1 153 153 GLU HA H 153 4.162 4.162 4.358 -0.196 19654 2249 1 3 . 1 1 153 153 GLU CA C 153 56.433 56.433 55.222 1.211 19654 2250 1 3 . 1 1 153 153 GLU CB C 153 30.101 30.101 29.783 0.318 19654 2251 1 3 . 1 1 153 153 GLU H H 153 8.446 8.446 8.509 -0.063 19654 2252 1 3 . 1 1 154 154 ASP N N 154 120.964 120.964 119.272 1.692 19654 2253 1 3 . 1 1 154 154 ASP HA H 154 4.565 4.565 4.594 -0.029 19654 2254 1 3 . 1 1 154 154 ASP CA C 154 54.106 54.106 52.830 1.276 19654 2255 1 3 . 1 1 154 154 ASP CB C 154 40.836 40.836 42.207 -1.371 19654 2256 1 3 . 1 1 154 154 ASP H H 154 8.325 8.325 7.099 1.226 19654 2257 1 3 . 1 1 155 155 LEU N N 155 122.311 122.311 117.369 4.942 19654 2258 1 3 . 1 1 155 155 LEU HA H 155 4.230 4.230 4.680 -0.450 19654 2259 1 3 . 1 1 155 155 LEU CA C 155 55.340 55.340 55.178 0.162 19654 2260 1 3 . 1 1 155 155 LEU CB C 155 42.094 42.094 40.430 1.664 19654 2261 1 3 . 1 1 155 155 LEU H H 155 8.210 8.210 8.248 -0.038 19654 2262 1 3 . 1 1 156 156 GLU N N 156 120.023 120.023 120.489 -0.466 19654 2263 1 3 . 1 1 156 156 GLU HA H 156 4.218 4.218 4.503 -0.285 19654 2264 1 3 . 1 1 156 156 GLU CA C 156 56.831 56.831 56.862 -0.031 19654 2265 1 3 . 1 1 156 156 GLU CB C 156 29.930 29.930 31.730 -1.800 19654 2266 1 3 . 1 1 156 156 GLU H H 156 8.396 8.396 8.705 -0.309 19654 2267 1 3 . 1 1 157 157 GLY N N 157 109.371 109.371 105.950 3.421 19654 2268 1 3 . 1 1 157 157 GLY CA C 157 45.327 45.327 44.950 0.377 19654 2269 1 3 . 1 1 157 157 GLY H H 157 8.323 8.323 8.983 -0.660 19654 2270 1 3 . 1 1 158 158 GLY N N 158 108.074 108.074 108.913 -0.839 19654 2271 1 3 . 1 1 158 158 GLY CA C 158 45.061 45.061 44.942 0.119 19654 2272 1 3 . 1 1 158 158 GLY H H 158 8.226 8.226 7.883 0.343 19654 2273 1 3 . 1 1 159 159 HIS N N 159 117.875 117.875 117.908 -0.033 19654 2274 1 3 . 1 1 159 159 HIS HA H 159 4.551 4.551 4.169 0.382 19654 2275 1 3 . 1 1 159 159 HIS CA C 159 55.600 55.600 55.692 -0.092 19654 2276 1 3 . 1 1 159 159 HIS CB C 159 29.800 29.800 29.730 0.070 19654 2277 1 3 . 1 1 159 159 HIS H H 159 8.210 8.210 8.752 -0.542 19654 2278 1 3 . 1 1 161 161 HIS N N 161 125.094 125.094 116.393 8.701 19654 2279 1 3 . 1 1 161 161 HIS HA H 161 4.585 4.585 4.585 -0.000 19654 2280 1 3 . 1 1 161 161 HIS H H 161 8.162 8.162 7.659 0.503 19654 2281 1 4 . 1 1 2 2 GLU HA H 2 4.333 4.333 4.626 -0.293 19654 2282 1 4 . 1 1 2 2 GLU CA C 2 56.183 56.183 55.618 0.565 19654 2283 1 4 . 1 1 2 2 GLU CB C 2 30.150 30.150 30.880 -0.730 19654 2284 1 4 . 1 1 3 3 ASP N N 3 122.553 122.553 121.438 1.115 19654 2285 1 4 . 1 1 3 3 ASP HA H 3 4.729 4.729 4.613 0.116 19654 2286 1 4 . 1 1 3 3 ASP CA C 3 53.659 53.659 54.315 -0.656 19654 2287 1 4 . 1 1 3 3 ASP CB C 3 41.319 41.319 41.843 -0.524 19654 2288 1 4 . 1 1 3 3 ASP H H 3 8.437 8.437 8.341 0.097 19654 2289 1 4 . 1 1 4 4 GLU N N 4 125.121 125.121 122.568 2.553 19654 2290 1 4 . 1 1 4 4 GLU HA H 4 4.235 4.235 4.008 0.227 19654 2291 1 4 . 1 1 4 4 GLU CA C 4 58.915 58.915 59.935 -1.020 19654 2292 1 4 . 1 1 4 4 GLU CB C 4 29.274 29.274 29.885 -0.611 19654 2293 1 4 . 1 1 4 4 GLU H H 4 8.726 8.726 8.688 0.038 19654 2294 1 4 . 1 1 5 5 LEU N N 5 120.976 120.976 120.662 0.314 19654 2295 1 4 . 1 1 5 5 LEU HA H 5 4.517 4.517 4.183 0.334 19654 2296 1 4 . 1 1 5 5 LEU CA C 5 57.939 57.939 58.052 -0.113 19654 2297 1 4 . 1 1 5 5 LEU CB C 5 40.917 40.917 41.286 -0.369 19654 2298 1 4 . 1 1 5 5 LEU H H 5 8.381 8.381 8.244 0.137 19654 2299 1 4 . 1 1 6 6 TYR N N 6 123.977 123.977 119.109 4.868 19654 2300 1 4 . 1 1 6 6 TYR HA H 6 3.865 3.865 4.280 -0.415 19654 2301 1 4 . 1 1 6 6 TYR CA C 6 62.721 62.721 61.565 1.156 19654 2302 1 4 . 1 1 6 6 TYR CB C 6 38.475 38.475 38.269 0.206 19654 2303 1 4 . 1 1 6 6 TYR H H 6 8.342 8.342 8.299 0.043 19654 2304 1 4 . 1 1 7 7 ARG N N 7 118.301 118.301 118.392 -0.091 19654 2305 1 4 . 1 1 7 7 ARG HA H 7 3.828 3.828 3.863 -0.035 19654 2306 1 4 . 1 1 7 7 ARG CA C 7 59.619 59.619 59.796 -0.177 19654 2307 1 4 . 1 1 7 7 ARG CB C 7 29.720 29.720 30.062 -0.342 19654 2308 1 4 . 1 1 7 7 ARG H H 7 8.452 8.452 8.303 0.149 19654 2309 1 4 . 1 1 8 8 GLN N N 8 119.421 119.421 119.470 -0.049 19654 2310 1 4 . 1 1 8 8 GLN HA H 8 3.944 3.944 4.054 -0.110 19654 2311 1 4 . 1 1 8 8 GLN CA C 8 58.827 58.827 59.168 -0.341 19654 2312 1 4 . 1 1 8 8 GLN CB C 8 28.918 28.918 28.897 0.021 19654 2313 1 4 . 1 1 8 8 GLN H H 8 8.894 8.894 8.619 0.275 19654 2314 1 4 . 1 1 9 9 SER N N 9 113.384 113.384 116.746 -3.362 19654 2315 1 4 . 1 1 9 9 SER HA H 9 4.007 4.007 4.071 -0.064 19654 2316 1 4 . 1 1 9 9 SER CA C 9 62.117 62.117 61.742 0.374 19654 2317 1 4 . 1 1 9 9 SER CB C 9 63.544 63.544 63.311 0.233 19654 2318 1 4 . 1 1 9 9 SER H H 9 8.018 8.018 8.058 -0.040 19654 2319 1 4 . 1 1 10 10 LEU N N 10 121.112 121.112 124.039 -2.927 19654 2320 1 4 . 1 1 10 10 LEU HA H 10 4.130 4.130 4.020 0.110 19654 2321 1 4 . 1 1 10 10 LEU CA C 10 57.022 57.022 57.784 -0.762 19654 2322 1 4 . 1 1 10 10 LEU CB C 10 41.146 41.146 41.337 -0.192 19654 2323 1 4 . 1 1 10 10 LEU H H 10 8.599 8.599 8.422 0.177 19654 2324 1 4 . 1 1 11 11 GLU N N 11 120.653 120.653 119.588 1.065 19654 2325 1 4 . 1 1 11 11 GLU HA H 11 3.914 3.914 3.916 -0.002 19654 2326 1 4 . 1 1 11 11 GLU CA C 11 59.627 59.627 59.637 -0.010 19654 2327 1 4 . 1 1 11 11 GLU CB C 11 29.298 29.298 29.569 -0.271 19654 2328 1 4 . 1 1 11 11 GLU H H 11 7.806 7.806 7.595 0.211 19654 2329 1 4 . 1 1 12 12 ILE N N 12 117.297 117.297 119.503 -2.206 19654 2330 1 4 . 1 1 12 12 ILE HA H 12 3.121 3.121 3.517 -0.396 19654 2331 1 4 . 1 1 12 12 ILE CA C 12 65.774 65.774 65.655 0.119 19654 2332 1 4 . 1 1 12 12 ILE CB C 12 39.143 39.143 37.571 1.572 19654 2333 1 4 . 1 1 12 12 ILE H H 12 7.401 7.401 7.911 -0.510 19654 2334 1 4 . 1 1 13 13 ILE N N 13 117.560 117.560 118.897 -1.337 19654 2335 1 4 . 1 1 13 13 ILE HA H 13 3.302 3.302 3.502 -0.200 19654 2336 1 4 . 1 1 13 13 ILE CA C 13 66.420 66.420 65.735 0.685 19654 2337 1 4 . 1 1 13 13 ILE CB C 13 37.714 37.714 37.541 0.173 19654 2338 1 4 . 1 1 13 13 ILE H H 13 8.378 8.378 8.147 0.231 19654 2339 1 4 . 1 1 14 14 SER N N 14 113.892 113.892 116.361 -2.469 19654 2340 1 4 . 1 1 14 14 SER HA H 14 3.889 3.889 3.963 -0.074 19654 2341 1 4 . 1 1 14 14 SER CA C 14 62.310 62.310 61.844 0.466 19654 2342 1 4 . 1 1 14 14 SER CB C 14 62.282 62.282 63.073 -0.791 19654 2343 1 4 . 1 1 14 14 SER H H 14 9.048 9.048 8.353 0.695 19654 2344 1 4 . 1 1 15 15 ARG N N 15 118.890 118.890 120.394 -1.504 19654 2345 1 4 . 1 1 15 15 ARG HA H 15 4.033 4.033 3.935 0.098 19654 2346 1 4 . 1 1 15 15 ARG CA C 15 59.496 59.496 59.588 -0.092 19654 2347 1 4 . 1 1 15 15 ARG CB C 15 29.727 29.727 30.012 -0.285 19654 2348 1 4 . 1 1 15 15 ARG H H 15 7.655 7.655 8.089 -0.434 19654 2349 1 4 . 1 1 16 16 TYR N N 16 119.757 119.757 121.256 -1.499 19654 2350 1 4 . 1 1 16 16 TYR HA H 16 4.146 4.146 4.119 0.027 19654 2351 1 4 . 1 1 16 16 TYR CA C 16 61.265 61.265 61.478 -0.213 19654 2352 1 4 . 1 1 16 16 TYR CB C 16 38.495 38.495 38.204 0.291 19654 2353 1 4 . 1 1 16 16 TYR H H 16 8.351 8.351 7.925 0.426 19654 2354 1 4 . 1 1 17 17 LEU N N 17 118.494 118.494 119.532 -1.038 19654 2355 1 4 . 1 1 17 17 LEU HA H 17 3.375 3.375 3.708 -0.333 19654 2356 1 4 . 1 1 17 17 LEU CA C 17 59.627 59.627 58.427 1.200 19654 2357 1 4 . 1 1 17 17 LEU CB C 17 39.949 39.949 41.192 -1.243 19654 2358 1 4 . 1 1 17 17 LEU H H 17 8.578 8.578 8.521 0.057 19654 2359 1 4 . 1 1 18 18 ARG N N 18 115.962 115.962 118.494 -2.532 19654 2360 1 4 . 1 1 18 18 ARG HA H 18 3.858 3.858 3.883 -0.025 19654 2361 1 4 . 1 1 18 18 ARG CA C 18 60.233 60.233 58.535 1.698 19654 2362 1 4 . 1 1 18 18 ARG CB C 18 29.993 29.993 29.516 0.477 19654 2363 1 4 . 1 1 18 18 ARG H H 18 8.044 8.044 8.271 -0.227 19654 2364 1 4 . 1 1 19 19 GLU N N 19 120.998 120.998 119.321 1.677 19654 2365 1 4 . 1 1 19 19 GLU HA H 19 4.153 4.153 4.179 -0.026 19654 2366 1 4 . 1 1 19 19 GLU CA C 19 58.857 58.857 58.576 0.281 19654 2367 1 4 . 1 1 19 19 GLU CB C 19 29.661 29.661 28.818 0.843 19654 2368 1 4 . 1 1 19 19 GLU H H 19 8.268 8.268 8.514 -0.246 19654 2369 1 4 . 1 1 20 20 GLN N N 20 119.903 119.903 120.038 -0.135 19654 2370 1 4 . 1 1 20 20 GLN HA H 20 3.715 3.715 3.971 -0.256 19654 2371 1 4 . 1 1 20 20 GLN CA C 20 58.008 58.008 57.734 0.274 19654 2372 1 4 . 1 1 20 20 GLN CB C 20 28.666 28.666 27.911 0.755 19654 2373 1 4 . 1 1 20 20 GLN H H 20 8.193 8.193 8.178 0.015 19654 2374 1 4 . 1 1 21 21 ALA N N 21 117.771 117.771 119.972 -2.201 19654 2375 1 4 . 1 1 21 21 ALA HA H 21 3.985 3.985 4.196 -0.211 19654 2376 1 4 . 1 1 21 21 ALA CA C 21 54.397 54.397 54.144 0.253 19654 2377 1 4 . 1 1 21 21 ALA CB C 21 20.022 20.022 19.362 0.660 19654 2378 1 4 . 1 1 21 21 ALA H H 21 7.883 7.883 7.479 0.404 19654 2379 1 4 . 1 1 22 22 THR N N 22 103.721 103.721 109.882 -6.161 19654 2380 1 4 . 1 1 22 22 THR HA H 22 4.279 4.279 4.165 0.114 19654 2381 1 4 . 1 1 22 22 THR CA C 22 62.357 62.357 63.575 -1.218 19654 2382 1 4 . 1 1 22 22 THR CB C 22 71.071 71.071 70.370 0.701 19654 2383 1 4 . 1 1 22 22 THR H H 22 8.024 8.024 7.907 0.117 19654 2384 1 4 . 1 1 23 23 GLY N N 23 111.610 111.610 110.769 0.841 19654 2385 1 4 . 1 1 23 23 GLY CA C 23 45.574 45.574 45.044 0.531 19654 2386 1 4 . 1 1 23 23 GLY H H 23 8.155 8.155 8.238 -0.083 19654 2387 1 4 . 1 1 24 24 ALA N N 24 123.004 123.004 125.231 -2.227 19654 2388 1 4 . 1 1 24 24 ALA HA H 24 4.526 4.526 4.672 -0.146 19654 2389 1 4 . 1 1 24 24 ALA CA C 24 50.763 50.763 50.985 -0.222 19654 2390 1 4 . 1 1 24 24 ALA CB C 24 20.186 20.186 20.104 0.082 19654 2391 1 4 . 1 1 24 24 ALA H H 24 7.763 7.763 7.678 0.085 19654 2392 1 4 . 1 1 25 25 LYS N N 25 121.392 121.392 122.802 -1.410 19654 2393 1 4 . 1 1 25 25 LYS HA H 25 4.181 4.181 4.330 -0.149 19654 2394 1 4 . 1 1 25 25 LYS CA C 25 55.729 55.729 55.857 -0.128 19654 2395 1 4 . 1 1 25 25 LYS CB C 25 33.175 33.175 32.534 0.641 19654 2396 1 4 . 1 1 25 25 LYS H H 25 8.349 8.349 8.365 -0.016 19654 2397 1 4 . 1 1 26 26 ASP N N 26 124.433 124.433 122.076 2.357 19654 2398 1 4 . 1 1 26 26 ASP HA H 26 4.618 4.618 4.518 0.100 19654 2399 1 4 . 1 1 26 26 ASP CA C 26 53.735 53.735 54.871 -1.137 19654 2400 1 4 . 1 1 26 26 ASP CB C 26 41.402 41.402 41.748 -0.346 19654 2401 1 4 . 1 1 26 26 ASP H H 26 8.803 8.803 8.698 0.105 19654 2402 1 4 . 1 1 27 27 THR N N 27 116.332 116.332 115.362 0.970 19654 2403 1 4 . 1 1 27 27 THR HA H 27 4.249 4.249 4.409 -0.160 19654 2404 1 4 . 1 1 27 27 THR CA C 27 61.268 61.268 61.316 -0.047 19654 2405 1 4 . 1 1 27 27 THR CB C 27 68.993 68.993 68.984 0.009 19654 2406 1 4 . 1 1 27 27 THR H H 27 8.363 8.363 8.233 0.130 19654 2407 1 4 . 1 1 28 28 LYS N N 28 125.551 125.551 123.581 1.970 19654 2408 1 4 . 1 1 28 28 LYS HA H 28 4.437 4.437 4.581 -0.144 19654 2409 1 4 . 1 1 28 28 LYS CA C 28 55.188 55.188 55.191 -0.003 19654 2410 1 4 . 1 1 28 28 LYS CB C 28 31.409 31.409 31.860 -0.451 19654 2411 1 4 . 1 1 28 28 LYS H H 28 8.346 8.346 8.243 0.103 19654 2412 1 4 . 1 1 29 29 PRO HA H 29 4.392 4.392 4.290 0.102 19654 2413 1 4 . 1 1 29 29 PRO CA C 29 63.164 63.164 63.860 -0.696 19654 2414 1 4 . 1 1 29 29 PRO CB C 29 31.904 31.904 31.980 -0.076 19654 2415 1 4 . 1 1 30 30 MET N N 30 121.136 121.136 122.920 -1.784 19654 2416 1 4 . 1 1 30 30 MET HA H 30 4.381 4.381 4.598 -0.217 19654 2417 1 4 . 1 1 30 30 MET CA C 30 55.229 55.229 54.618 0.611 19654 2418 1 4 . 1 1 30 30 MET CB C 30 33.819 33.819 34.350 -0.531 19654 2419 1 4 . 1 1 30 30 MET H H 30 8.585 8.585 7.901 0.684 19654 2420 1 4 . 1 1 31 31 GLY N N 31 109.849 109.849 107.419 2.430 19654 2421 1 4 . 1 1 31 31 GLY CA C 31 44.983 44.983 44.763 0.221 19654 2422 1 4 . 1 1 31 31 GLY H H 31 8.930 8.930 8.240 0.690 19654 2423 1 4 . 1 1 32 32 ARG N N 32 121.001 121.001 119.799 1.202 19654 2424 1 4 . 1 1 32 32 ARG HA H 32 4.239 4.239 3.942 0.297 19654 2425 1 4 . 1 1 32 32 ARG CA C 32 56.755 56.755 58.218 -1.463 19654 2426 1 4 . 1 1 32 32 ARG CB C 32 30.110 30.110 30.413 -0.303 19654 2427 1 4 . 1 1 32 32 ARG H H 32 8.447 8.447 8.670 -0.223 19654 2428 1 4 . 1 1 33 33 SER N N 33 119.991 119.991 113.127 6.864 19654 2429 1 4 . 1 1 33 33 SER HA H 33 4.386 4.386 4.406 -0.020 19654 2430 1 4 . 1 1 33 33 SER CA C 33 58.502 58.502 57.656 0.846 19654 2431 1 4 . 1 1 33 33 SER CB C 33 62.609 62.609 63.662 -1.053 19654 2432 1 4 . 1 1 33 33 SER H H 33 8.667 8.667 7.988 0.679 19654 2433 1 4 . 1 1 34 34 GLY N N 34 108.582 108.582 113.725 -5.143 19654 2434 1 4 . 1 1 34 34 GLY CA C 34 46.637 46.637 46.072 0.565 19654 2435 1 4 . 1 1 34 34 GLY H H 34 8.216 8.216 8.677 -0.461 19654 2436 1 4 . 1 1 35 35 ALA N N 35 123.445 123.445 125.135 -1.690 19654 2437 1 4 . 1 1 35 35 ALA HA H 35 4.193 4.193 3.987 0.206 19654 2438 1 4 . 1 1 35 35 ALA CA C 35 54.770 54.770 55.084 -0.313 19654 2439 1 4 . 1 1 35 35 ALA CB C 35 18.437 18.437 18.101 0.336 19654 2440 1 4 . 1 1 35 35 ALA H H 35 8.506 8.506 8.374 0.132 19654 2441 1 4 . 1 1 36 36 THR N N 36 115.716 115.716 114.787 0.929 19654 2442 1 4 . 1 1 36 36 THR HA H 36 3.919 3.919 3.914 0.005 19654 2443 1 4 . 1 1 36 36 THR CA C 36 67.249 67.249 66.818 0.431 19654 2444 1 4 . 1 1 36 36 THR CB C 36 68.225 68.225 68.551 -0.326 19654 2445 1 4 . 1 1 36 36 THR H H 36 8.262 8.262 8.510 -0.248 19654 2446 1 4 . 1 1 37 37 SER N N 37 117.911 117.911 117.697 0.214 19654 2447 1 4 . 1 1 37 37 SER HA H 37 3.869 3.869 3.978 -0.109 19654 2448 1 4 . 1 1 37 37 SER CA C 37 62.333 62.333 62.041 0.292 19654 2449 1 4 . 1 1 37 37 SER CB C 37 62.333 62.333 62.765 -0.432 19654 2450 1 4 . 1 1 37 37 SER H H 37 8.389 8.389 7.838 0.551 19654 2451 1 4 . 1 1 38 38 ARG N N 38 120.924 120.924 120.401 0.523 19654 2452 1 4 . 1 1 38 38 ARG HA H 38 3.901 3.901 4.052 -0.151 19654 2453 1 4 . 1 1 38 38 ARG CA C 38 59.923 59.923 58.360 1.563 19654 2454 1 4 . 1 1 38 38 ARG CB C 38 29.759 29.759 29.590 0.169 19654 2455 1 4 . 1 1 38 38 ARG H H 38 8.278 8.278 8.182 0.096 19654 2456 1 4 . 1 1 39 39 LYS N N 39 119.172 119.172 120.077 -0.905 19654 2457 1 4 . 1 1 39 39 LYS HA H 39 4.151 4.151 4.062 0.089 19654 2458 1 4 . 1 1 39 39 LYS CA C 39 59.086 59.086 59.432 -0.346 19654 2459 1 4 . 1 1 39 39 LYS CB C 39 32.807 32.807 32.239 0.568 19654 2460 1 4 . 1 1 39 39 LYS H H 39 7.930 7.930 8.434 -0.504 19654 2461 1 4 . 1 1 40 40 ALA N N 40 125.586 125.586 123.419 2.167 19654 2462 1 4 . 1 1 40 40 ALA HA H 40 4.175 4.175 4.181 -0.006 19654 2463 1 4 . 1 1 40 40 ALA CA C 40 55.633 55.633 55.243 0.390 19654 2464 1 4 . 1 1 40 40 ALA CB C 40 18.675 18.675 18.336 0.339 19654 2465 1 4 . 1 1 40 40 ALA H H 40 9.192 9.192 8.166 1.026 19654 2466 1 4 . 1 1 41 41 LEU N N 41 120.080 120.080 119.582 0.498 19654 2467 1 4 . 1 1 41 41 LEU HA H 41 3.930 3.930 3.820 0.110 19654 2468 1 4 . 1 1 41 41 LEU CA C 41 58.169 58.169 57.928 0.240 19654 2469 1 4 . 1 1 41 41 LEU CB C 41 41.683 41.683 41.601 0.082 19654 2470 1 4 . 1 1 41 41 LEU H H 41 8.209 8.209 7.985 0.224 19654 2471 1 4 . 1 1 42 42 GLU N N 42 117.875 117.875 118.412 -0.537 19654 2472 1 4 . 1 1 42 42 GLU HA H 42 3.977 3.977 3.986 -0.009 19654 2473 1 4 . 1 1 42 42 GLU CA C 42 59.335 59.335 59.188 0.147 19654 2474 1 4 . 1 1 42 42 GLU CB C 42 29.176 29.176 29.136 0.041 19654 2475 1 4 . 1 1 42 42 GLU H H 42 8.197 8.197 8.104 0.093 19654 2476 1 4 . 1 1 43 43 THR N N 43 116.912 116.912 116.939 -0.027 19654 2477 1 4 . 1 1 43 43 THR HA H 43 3.793 3.793 4.028 -0.235 19654 2478 1 4 . 1 1 43 43 THR CA C 43 67.517 67.517 66.696 0.821 19654 2479 1 4 . 1 1 43 43 THR CB C 43 68.089 68.089 68.644 -0.556 19654 2480 1 4 . 1 1 43 43 THR H H 43 8.183 8.183 8.248 -0.065 19654 2481 1 4 . 1 1 44 44 LEU N N 44 123.099 123.099 119.783 3.316 19654 2482 1 4 . 1 1 44 44 LEU HA H 44 3.699 3.699 3.794 -0.095 19654 2483 1 4 . 1 1 44 44 LEU CA C 44 58.261 58.261 57.950 0.311 19654 2484 1 4 . 1 1 44 44 LEU CB C 44 40.988 40.988 40.677 0.311 19654 2485 1 4 . 1 1 44 44 LEU H H 44 8.509 8.509 8.424 0.085 19654 2486 1 4 . 1 1 45 45 ARG N N 45 116.885 116.885 118.418 -1.533 19654 2487 1 4 . 1 1 45 45 ARG HA H 45 4.125 4.125 4.373 -0.248 19654 2488 1 4 . 1 1 45 45 ARG CA C 45 59.617 59.617 59.642 -0.025 19654 2489 1 4 . 1 1 45 45 ARG CB C 45 30.423 30.423 30.292 0.131 19654 2490 1 4 . 1 1 45 45 ARG H H 45 8.398 8.398 7.626 0.772 19654 2491 1 4 . 1 1 46 46 ARG N N 46 117.297 117.297 118.983 -1.686 19654 2492 1 4 . 1 1 46 46 ARG HA H 46 4.229 4.229 4.129 0.100 19654 2493 1 4 . 1 1 46 46 ARG CA C 46 58.427 58.427 58.904 -0.477 19654 2494 1 4 . 1 1 46 46 ARG CB C 46 30.408 30.408 30.082 0.326 19654 2495 1 4 . 1 1 46 46 ARG H H 46 7.421 7.421 7.637 -0.216 19654 2496 1 4 . 1 1 47 47 VAL N N 47 114.304 114.304 114.401 -0.097 19654 2497 1 4 . 1 1 47 47 VAL HA H 47 4.094 4.094 4.267 -0.173 19654 2498 1 4 . 1 1 47 47 VAL CA C 47 63.242 63.242 63.979 -0.737 19654 2499 1 4 . 1 1 47 47 VAL CB C 47 32.378 32.378 31.810 0.568 19654 2500 1 4 . 1 1 47 47 VAL H H 47 8.515 8.515 8.073 0.442 19654 2501 1 4 . 1 1 48 48 GLY N N 48 110.132 110.132 109.451 0.681 19654 2502 1 4 . 1 1 48 48 GLY CA C 48 46.588 46.588 47.334 -0.746 19654 2503 1 4 . 1 1 48 48 GLY H H 48 8.890 8.890 7.992 0.898 19654 2504 1 4 . 1 1 49 49 ASP N N 49 121.292 121.292 122.459 -1.167 19654 2505 1 4 . 1 1 49 49 ASP HA H 49 4.456 4.456 4.405 0.051 19654 2506 1 4 . 1 1 49 49 ASP CA C 49 57.787 57.787 58.197 -0.410 19654 2507 1 4 . 1 1 49 49 ASP CB C 49 40.912 40.912 40.707 0.205 19654 2508 1 4 . 1 1 49 49 ASP H H 49 7.392 7.392 8.008 -0.616 19654 2509 1 4 . 1 1 50 50 GLY N N 50 106.682 106.682 107.405 -0.723 19654 2510 1 4 . 1 1 50 50 GLY CA C 50 46.932 46.932 47.308 -0.376 19654 2511 1 4 . 1 1 50 50 GLY H H 50 8.132 8.132 8.408 -0.276 19654 2512 1 4 . 1 1 51 51 VAL N N 51 121.747 121.747 122.872 -1.125 19654 2513 1 4 . 1 1 51 51 VAL HA H 51 3.944 3.944 3.697 0.247 19654 2514 1 4 . 1 1 51 51 VAL CA C 51 66.355 66.355 65.897 0.458 19654 2515 1 4 . 1 1 51 51 VAL CB C 51 31.594 31.594 30.985 0.609 19654 2516 1 4 . 1 1 51 51 VAL H H 51 7.476 7.476 7.466 0.010 19654 2517 1 4 . 1 1 52 52 GLN N N 52 118.494 118.494 118.609 -0.115 19654 2518 1 4 . 1 1 52 52 GLN HA H 52 3.913 3.913 4.111 -0.198 19654 2519 1 4 . 1 1 52 52 GLN CA C 52 60.391 60.391 59.345 1.046 19654 2520 1 4 . 1 1 52 52 GLN CB C 52 29.682 29.682 28.780 0.902 19654 2521 1 4 . 1 1 52 52 GLN H H 52 8.439 8.439 8.520 -0.081 19654 2522 1 4 . 1 1 53 53 ARG N N 53 116.807 116.807 118.816 -2.009 19654 2523 1 4 . 1 1 53 53 ARG HA H 53 4.163 4.163 4.248 -0.085 19654 2524 1 4 . 1 1 53 53 ARG CA C 53 59.086 59.086 58.155 0.931 19654 2525 1 4 . 1 1 53 53 ARG CB C 53 30.009 30.009 29.700 0.309 19654 2526 1 4 . 1 1 53 53 ARG H H 53 7.873 7.873 8.386 -0.513 19654 2527 1 4 . 1 1 54 54 ASN N N 54 116.356 116.356 118.241 -1.885 19654 2528 1 4 . 1 1 54 54 ASN HA H 54 4.448 4.448 4.516 -0.068 19654 2529 1 4 . 1 1 54 54 ASN CA C 54 54.694 54.694 55.673 -0.979 19654 2530 1 4 . 1 1 54 54 ASN CB C 54 38.302 38.302 38.161 0.141 19654 2531 1 4 . 1 1 54 54 ASN H H 54 8.123 8.123 8.522 -0.399 19654 2532 1 4 . 1 1 55 55 HIS N N 55 114.809 114.809 117.286 -2.477 19654 2533 1 4 . 1 1 55 55 HIS HA H 55 4.504 4.504 4.224 0.280 19654 2534 1 4 . 1 1 55 55 HIS CA C 55 55.949 55.949 57.354 -1.405 19654 2535 1 4 . 1 1 55 55 HIS CB C 55 28.341 28.341 29.579 -1.238 19654 2536 1 4 . 1 1 55 55 HIS H H 55 7.558 7.558 8.274 -0.716 19654 2537 1 4 . 1 1 56 56 GLU N N 56 121.943 121.943 120.397 1.546 19654 2538 1 4 . 1 1 56 56 GLU HA H 56 3.640 3.640 3.574 0.066 19654 2539 1 4 . 1 1 56 56 GLU CA C 56 61.360 61.360 60.283 1.077 19654 2540 1 4 . 1 1 56 56 GLU CB C 56 30.006 30.006 29.325 0.681 19654 2541 1 4 . 1 1 56 56 GLU H H 56 7.071 7.071 7.594 -0.523 19654 2542 1 4 . 1 1 57 57 THR N N 57 112.827 112.827 113.769 -0.942 19654 2543 1 4 . 1 1 57 57 THR HA H 57 3.984 3.984 4.046 -0.062 19654 2544 1 4 . 1 1 57 57 THR CA C 57 66.247 66.247 65.572 0.675 19654 2545 1 4 . 1 1 57 57 THR CB C 57 68.002 68.002 68.507 -0.505 19654 2546 1 4 . 1 1 57 57 THR H H 57 8.324 8.324 8.282 0.042 19654 2547 1 4 . 1 1 58 58 ALA N N 58 126.520 126.520 123.787 2.733 19654 2548 1 4 . 1 1 58 58 ALA HA H 58 4.147 4.147 4.103 0.044 19654 2549 1 4 . 1 1 58 58 ALA CA C 58 54.707 54.707 54.645 0.062 19654 2550 1 4 . 1 1 58 58 ALA CB C 58 17.734 17.734 18.053 -0.319 19654 2551 1 4 . 1 1 58 58 ALA H H 58 7.910 7.910 7.455 0.455 19654 2552 1 4 . 1 1 59 59 PHE N N 59 119.326 119.326 118.271 1.055 19654 2553 1 4 . 1 1 59 59 PHE HA H 59 4.518 4.518 4.136 0.382 19654 2554 1 4 . 1 1 59 59 PHE CA C 59 56.946 56.946 58.914 -1.968 19654 2555 1 4 . 1 1 59 59 PHE CB C 59 34.583 34.583 37.522 -2.939 19654 2556 1 4 . 1 1 59 59 PHE H H 59 9.017 9.017 8.219 0.798 19654 2557 1 4 . 1 1 60 60 GLN N N 60 119.670 119.670 118.060 1.610 19654 2558 1 4 . 1 1 60 60 GLN HA H 60 4.232 4.232 4.132 0.100 19654 2559 1 4 . 1 1 60 60 GLN CA C 60 59.359 59.359 59.275 0.084 19654 2560 1 4 . 1 1 60 60 GLN CB C 60 28.009 28.009 27.981 0.028 19654 2561 1 4 . 1 1 60 60 GLN H H 60 8.678 8.678 8.954 -0.276 19654 2562 1 4 . 1 1 61 61 GLY N N 61 106.140 106.140 105.766 0.374 19654 2563 1 4 . 1 1 61 61 GLY CA C 61 47.085 47.085 46.689 0.396 19654 2564 1 4 . 1 1 61 61 GLY H H 61 7.975 7.975 7.780 0.195 19654 2565 1 4 . 1 1 62 62 MET N N 62 120.973 120.973 119.021 1.952 19654 2566 1 4 . 1 1 62 62 MET HA H 62 4.080 4.080 4.460 -0.380 19654 2567 1 4 . 1 1 62 62 MET CA C 62 58.752 58.752 57.734 1.018 19654 2568 1 4 . 1 1 62 62 MET CB C 62 33.824 33.824 33.197 0.627 19654 2569 1 4 . 1 1 62 62 MET H H 62 8.007 8.007 7.624 0.383 19654 2570 1 4 . 1 1 63 63 LEU N N 63 119.043 119.043 120.796 -1.753 19654 2571 1 4 . 1 1 63 63 LEU HA H 63 4.139 4.139 4.059 0.080 19654 2572 1 4 . 1 1 63 63 LEU CA C 63 57.645 57.645 58.550 -0.905 19654 2573 1 4 . 1 1 63 63 LEU CB C 63 42.173 42.173 41.084 1.089 19654 2574 1 4 . 1 1 63 63 LEU H H 63 8.394 8.394 8.980 -0.586 19654 2575 1 4 . 1 1 64 64 ARG N N 64 117.294 117.294 119.360 -2.066 19654 2576 1 4 . 1 1 64 64 ARG HA H 64 4.090 4.090 4.074 0.016 19654 2577 1 4 . 1 1 64 64 ARG CA C 64 58.551 58.551 58.648 -0.097 19654 2578 1 4 . 1 1 64 64 ARG CB C 64 29.772 29.772 29.981 -0.209 19654 2579 1 4 . 1 1 64 64 ARG H H 64 7.912 7.912 8.115 -0.203 19654 2580 1 4 . 1 1 65 65 LYS N N 65 116.840 116.840 117.409 -0.569 19654 2581 1 4 . 1 1 65 65 LYS HA H 65 4.165 4.165 4.464 -0.299 19654 2582 1 4 . 1 1 65 65 LYS CA C 65 57.175 57.175 56.510 0.665 19654 2583 1 4 . 1 1 65 65 LYS CB C 65 32.299 32.299 32.446 -0.147 19654 2584 1 4 . 1 1 65 65 LYS H H 65 7.506 7.506 7.978 -0.472 19654 2585 1 4 . 1 1 66 66 LEU N N 66 119.257 119.257 119.576 -0.319 19654 2586 1 4 . 1 1 66 66 LEU HA H 66 4.232 4.232 4.479 -0.247 19654 2587 1 4 . 1 1 66 66 LEU CA C 66 55.442 55.442 55.918 -0.476 19654 2588 1 4 . 1 1 66 66 LEU CB C 66 43.042 43.042 43.275 -0.233 19654 2589 1 4 . 1 1 66 66 LEU H H 66 7.736 7.736 7.694 0.042 19654 2590 1 4 . 1 1 67 67 ASP N N 67 119.743 119.743 117.312 2.431 19654 2591 1 4 . 1 1 67 67 ASP HA H 67 4.457 4.457 4.328 0.129 19654 2592 1 4 . 1 1 67 67 ASP CA C 67 53.850 53.850 56.903 -3.053 19654 2593 1 4 . 1 1 67 67 ASP CB C 67 40.195 40.195 40.975 -0.780 19654 2594 1 4 . 1 1 67 67 ASP H H 67 8.068 8.068 8.354 -0.286 19654 2595 1 4 . 1 1 68 68 ILE N N 68 120.055 120.055 117.877 2.178 19654 2596 1 4 . 1 1 68 68 ILE HA H 68 3.870 3.870 3.885 -0.015 19654 2597 1 4 . 1 1 68 68 ILE CA C 68 61.524 61.524 62.339 -0.815 19654 2598 1 4 . 1 1 68 68 ILE CB C 68 37.986 37.986 36.733 1.253 19654 2599 1 4 . 1 1 68 68 ILE H H 68 8.275 8.275 8.193 0.082 19654 2600 1 4 . 1 1 69 69 LYS N N 69 126.186 126.186 123.509 2.677 19654 2601 1 4 . 1 1 69 69 LYS HA H 69 4.481 4.481 4.353 0.128 19654 2602 1 4 . 1 1 69 69 LYS CA C 69 56.304 56.304 56.352 -0.048 19654 2603 1 4 . 1 1 69 69 LYS CB C 69 34.136 34.136 33.744 0.392 19654 2604 1 4 . 1 1 69 69 LYS H H 69 9.722 9.722 9.051 0.671 19654 2605 1 4 . 1 1 70 70 ASN N N 70 115.056 115.056 116.414 -1.358 19654 2606 1 4 . 1 1 70 70 ASN HA H 70 4.700 4.700 4.788 -0.088 19654 2607 1 4 . 1 1 70 70 ASN CA C 70 51.977 51.977 52.262 -0.285 19654 2608 1 4 . 1 1 70 70 ASN CB C 70 39.474 39.474 39.996 -0.522 19654 2609 1 4 . 1 1 70 70 ASN H H 70 7.959 7.959 8.113 -0.154 19654 2610 1 4 . 1 1 71 71 GLU N N 71 118.214 118.214 119.767 -1.553 19654 2611 1 4 . 1 1 71 71 GLU HA H 71 3.967 3.967 3.948 0.019 19654 2612 1 4 . 1 1 71 71 GLU CA C 71 59.354 59.354 59.917 -0.563 19654 2613 1 4 . 1 1 71 71 GLU CB C 71 29.520 29.520 29.576 -0.056 19654 2614 1 4 . 1 1 71 71 GLU H H 71 8.831 8.831 9.014 -0.183 19654 2615 1 4 . 1 1 72 72 ASP N N 72 120.319 120.319 118.222 2.097 19654 2616 1 4 . 1 1 72 72 ASP HA H 72 4.422 4.422 4.315 0.107 19654 2617 1 4 . 1 1 72 72 ASP CA C 72 57.036 57.036 57.881 -0.845 19654 2618 1 4 . 1 1 72 72 ASP CB C 72 39.945 39.945 40.112 -0.167 19654 2619 1 4 . 1 1 72 72 ASP H H 72 8.167 8.167 8.332 -0.165 19654 2620 1 4 . 1 1 73 73 ASP N N 73 119.793 119.793 119.670 0.123 19654 2621 1 4 . 1 1 73 73 ASP HA H 73 4.521 4.521 4.505 0.016 19654 2622 1 4 . 1 1 73 73 ASP CA C 73 56.337 56.337 57.151 -0.814 19654 2623 1 4 . 1 1 73 73 ASP CB C 73 41.927 41.927 40.635 1.292 19654 2624 1 4 . 1 1 73 73 ASP H H 73 8.153 8.153 7.894 0.259 19654 2625 1 4 . 1 1 74 74 VAL N N 74 117.572 117.572 120.680 -3.108 19654 2626 1 4 . 1 1 74 74 VAL HA H 74 3.714 3.714 3.598 0.116 19654 2627 1 4 . 1 1 74 74 VAL CA C 74 65.498 65.498 66.542 -1.044 19654 2628 1 4 . 1 1 74 74 VAL CB C 74 31.077 31.077 31.537 -0.460 19654 2629 1 4 . 1 1 74 74 VAL H H 74 7.629 7.629 7.363 0.266 19654 2630 1 4 . 1 1 75 75 LYS N N 75 119.403 119.403 119.021 0.382 19654 2631 1 4 . 1 1 75 75 LYS HA H 75 4.154 4.154 4.067 0.087 19654 2632 1 4 . 1 1 75 75 LYS CA C 75 59.034 59.034 59.380 -0.346 19654 2633 1 4 . 1 1 75 75 LYS CB C 75 31.909 31.909 32.197 -0.288 19654 2634 1 4 . 1 1 75 75 LYS H H 75 7.961 7.961 8.277 -0.316 19654 2635 1 4 . 1 1 76 76 SER N N 76 114.355 114.355 116.108 -1.753 19654 2636 1 4 . 1 1 76 76 SER HA H 76 4.453 4.453 4.279 0.174 19654 2637 1 4 . 1 1 76 76 SER CA C 76 60.061 60.061 61.611 -1.550 19654 2638 1 4 . 1 1 76 76 SER CB C 76 63.023 63.023 62.927 0.096 19654 2639 1 4 . 1 1 76 76 SER H H 76 7.919 7.919 7.639 0.280 19654 2640 1 4 . 1 1 77 77 LEU N N 77 121.954 121.954 121.934 0.020 19654 2641 1 4 . 1 1 77 77 LEU HA H 77 4.230 4.230 4.009 0.221 19654 2642 1 4 . 1 1 77 77 LEU CA C 77 56.764 56.764 57.810 -1.046 19654 2643 1 4 . 1 1 77 77 LEU CB C 77 41.695 41.695 41.415 0.280 19654 2644 1 4 . 1 1 77 77 LEU H H 77 7.883 7.883 7.933 -0.050 19654 2645 1 4 . 1 1 78 78 SER N N 78 115.268 115.268 114.103 1.165 19654 2646 1 4 . 1 1 78 78 SER HA H 78 3.962 3.962 4.111 -0.149 19654 2647 1 4 . 1 1 78 78 SER CA C 78 62.337 62.337 62.122 0.215 19654 2648 1 4 . 1 1 78 78 SER CB C 78 62.218 62.218 62.966 -0.748 19654 2649 1 4 . 1 1 78 78 SER H H 78 8.185 8.185 7.788 0.397 19654 2650 1 4 . 1 1 79 79 ARG N N 79 119.021 119.021 119.820 -0.799 19654 2651 1 4 . 1 1 79 79 ARG HA H 79 4.090 4.090 3.956 0.134 19654 2652 1 4 . 1 1 79 79 ARG CA C 79 58.849 58.849 58.436 0.413 19654 2653 1 4 . 1 1 79 79 ARG CB C 79 29.930 29.930 29.542 0.388 19654 2654 1 4 . 1 1 79 79 ARG H H 79 7.684 7.684 7.441 0.243 19654 2655 1 4 . 1 1 80 80 VAL N N 80 116.979 116.979 120.834 -3.855 19654 2656 1 4 . 1 1 80 80 VAL HA H 80 3.953 3.953 3.722 0.231 19654 2657 1 4 . 1 1 80 80 VAL CA C 80 64.228 64.228 66.184 -1.956 19654 2658 1 4 . 1 1 80 80 VAL CB C 80 32.210 32.210 31.692 0.518 19654 2659 1 4 . 1 1 80 80 VAL H H 80 7.479 7.479 7.422 0.057 19654 2660 1 4 . 1 1 81 81 MET N N 81 117.822 117.822 118.307 -0.485 19654 2661 1 4 . 1 1 81 81 MET HA H 81 4.053 4.053 4.140 -0.087 19654 2662 1 4 . 1 1 81 81 MET CA C 81 58.322 58.322 57.561 0.761 19654 2663 1 4 . 1 1 81 81 MET CB C 81 32.555 32.555 31.370 1.185 19654 2664 1 4 . 1 1 81 81 MET H H 81 8.104 8.104 7.957 0.147 19654 2665 1 4 . 1 1 82 82 ILE N N 82 116.348 116.348 118.222 -1.874 19654 2666 1 4 . 1 1 82 82 ILE HA H 82 3.815 3.815 3.782 0.033 19654 2667 1 4 . 1 1 82 82 ILE CA C 82 63.653 63.653 64.792 -1.139 19654 2668 1 4 . 1 1 82 82 ILE CB C 82 37.879 37.879 37.390 0.489 19654 2669 1 4 . 1 1 82 82 ILE H H 82 7.789 7.789 7.823 -0.034 19654 2670 1 4 . 1 1 83 83 HIS N N 83 118.994 118.994 115.492 3.502 19654 2671 1 4 . 1 1 83 83 HIS HA H 83 4.409 4.409 4.496 -0.087 19654 2672 1 4 . 1 1 83 83 HIS CA C 83 58.245 58.245 57.644 0.601 19654 2673 1 4 . 1 1 83 83 HIS CB C 83 29.735 29.735 29.535 0.200 19654 2674 1 4 . 1 1 83 83 HIS H H 83 7.543 7.543 7.068 0.475 19654 2675 1 4 . 1 1 84 84 VAL N N 84 117.112 117.112 120.216 -3.104 19654 2676 1 4 . 1 1 84 84 VAL HA H 84 3.631 3.631 3.610 0.021 19654 2677 1 4 . 1 1 84 84 VAL CA C 84 64.628 64.628 66.069 -1.441 19654 2678 1 4 . 1 1 84 84 VAL CB C 84 31.904 31.904 31.598 0.306 19654 2679 1 4 . 1 1 84 84 VAL H H 84 7.713 7.713 7.723 -0.010 19654 2680 1 4 . 1 1 85 85 PHE N N 85 115.531 115.531 114.933 0.598 19654 2681 1 4 . 1 1 85 85 PHE HA H 85 4.733 4.733 4.573 0.160 19654 2682 1 4 . 1 1 85 85 PHE CA C 85 57.326 57.326 57.702 -0.376 19654 2683 1 4 . 1 1 85 85 PHE CB C 85 39.507 39.507 37.248 2.259 19654 2684 1 4 . 1 1 85 85 PHE H H 85 7.743 7.743 7.527 0.216 19654 2685 1 4 . 1 1 86 86 SER N N 86 114.812 114.812 116.061 -1.249 19654 2686 1 4 . 1 1 86 86 SER HA H 86 4.275 4.275 4.364 -0.089 19654 2687 1 4 . 1 1 86 86 SER CA C 86 59.832 59.832 59.603 0.229 19654 2688 1 4 . 1 1 86 86 SER CB C 86 63.482 63.482 63.479 0.003 19654 2689 1 4 . 1 1 86 86 SER H H 86 7.634 7.634 7.587 0.047 19654 2690 1 4 . 1 1 87 87 ASP N N 87 120.986 120.986 122.167 -1.181 19654 2691 1 4 . 1 1 87 87 ASP HA H 87 4.491 4.491 4.753 -0.262 19654 2692 1 4 . 1 1 87 87 ASP CA C 87 54.032 54.032 55.141 -1.109 19654 2693 1 4 . 1 1 87 87 ASP CB C 87 40.411 40.411 41.679 -1.268 19654 2694 1 4 . 1 1 87 87 ASP H H 87 8.043 8.043 7.705 0.338 19654 2695 1 4 . 1 1 88 88 GLY N N 88 108.171 108.171 109.121 -0.950 19654 2696 1 4 . 1 1 88 88 GLY CA C 88 44.981 44.981 45.063 -0.083 19654 2697 1 4 . 1 1 88 88 GLY H H 88 8.163 8.163 8.412 -0.249 19654 2698 1 4 . 1 1 89 89 VAL N N 89 121.716 121.716 117.992 3.724 19654 2699 1 4 . 1 1 89 89 VAL HA H 89 3.879 3.879 4.057 -0.178 19654 2700 1 4 . 1 1 89 89 VAL CA C 89 62.471 62.471 61.826 0.645 19654 2701 1 4 . 1 1 89 89 VAL CB C 89 32.418 32.418 32.194 0.224 19654 2702 1 4 . 1 1 89 89 VAL H H 89 7.886 7.886 7.477 0.409 19654 2703 1 4 . 1 1 90 90 THR N N 90 121.669 121.669 121.468 0.201 19654 2704 1 4 . 1 1 90 90 THR HA H 90 3.657 3.657 4.049 -0.392 19654 2705 1 4 . 1 1 90 90 THR CA C 90 62.473 62.473 61.994 0.479 19654 2706 1 4 . 1 1 90 90 THR CB C 90 68.528 68.528 67.725 0.803 19654 2707 1 4 . 1 1 90 90 THR H H 90 8.201 8.201 8.168 0.033 19654 2708 1 4 . 1 1 91 91 ASN HA H 91 4.162 4.162 4.485 -0.323 19654 2709 1 4 . 1 1 91 91 ASN CA C 91 51.748 51.748 51.273 0.475 19654 2710 1 4 . 1 1 91 91 ASN CB C 91 39.645 39.645 39.678 -0.033 19654 2711 1 4 . 1 1 91 91 ASN H H 91 8.826 8.826 7.650 1.176 19654 2712 1 4 . 1 1 92 92 TRP N N 92 118.437 118.437 123.722 -5.285 19654 2713 1 4 . 1 1 92 92 TRP HA H 92 4.739 4.739 4.586 0.153 19654 2714 1 4 . 1 1 92 92 TRP CA C 92 60.233 60.233 58.601 1.632 19654 2715 1 4 . 1 1 92 92 TRP CB C 92 30.167 30.167 29.314 0.853 19654 2716 1 4 . 1 1 92 92 TRP H H 92 8.942 8.942 8.191 0.751 19654 2717 1 4 . 1 1 93 93 GLY N N 93 108.154 108.154 109.251 -1.097 19654 2718 1 4 . 1 1 93 93 GLY CA C 93 47.544 47.544 47.258 0.286 19654 2719 1 4 . 1 1 93 93 GLY H H 93 8.697 8.697 8.704 -0.007 19654 2720 1 4 . 1 1 94 94 ARG N N 94 122.547 122.547 121.257 1.290 19654 2721 1 4 . 1 1 94 94 ARG HA H 94 4.072 4.072 4.266 -0.194 19654 2722 1 4 . 1 1 94 94 ARG CA C 94 58.556 58.556 57.801 0.755 19654 2723 1 4 . 1 1 94 94 ARG CB C 94 30.201 30.201 29.701 0.500 19654 2724 1 4 . 1 1 94 94 ARG H H 94 8.353 8.353 7.706 0.647 19654 2725 1 4 . 1 1 95 95 ILE N N 95 120.130 120.130 120.523 -0.393 19654 2726 1 4 . 1 1 95 95 ILE HA H 95 3.708 3.708 4.132 -0.424 19654 2727 1 4 . 1 1 95 95 ILE CA C 95 65.511 65.511 64.016 1.495 19654 2728 1 4 . 1 1 95 95 ILE CB C 95 37.486 37.486 37.018 0.468 19654 2729 1 4 . 1 1 95 95 ILE H H 95 7.545 7.545 7.592 -0.047 19654 2730 1 4 . 1 1 96 96 VAL N N 96 119.403 119.403 120.542 -1.139 19654 2731 1 4 . 1 1 96 96 VAL HA H 96 3.723 3.723 3.785 -0.062 19654 2732 1 4 . 1 1 96 96 VAL CA C 96 67.249 67.249 67.663 -0.414 19654 2733 1 4 . 1 1 96 96 VAL CB C 96 31.001 31.001 31.229 -0.228 19654 2734 1 4 . 1 1 96 96 VAL H H 96 8.990 8.990 8.633 0.357 19654 2735 1 4 . 1 1 97 97 THR N N 97 122.016 122.016 116.658 5.358 19654 2736 1 4 . 1 1 97 97 THR HA H 97 3.784 3.784 3.939 -0.155 19654 2737 1 4 . 1 1 97 97 THR CA C 97 68.159 68.159 67.351 0.808 19654 2738 1 4 . 1 1 97 97 THR CB C 97 67.212 67.212 68.601 -1.389 19654 2739 1 4 . 1 1 97 97 THR H H 97 8.605 8.605 7.940 0.665 19654 2740 1 4 . 1 1 98 98 LEU N N 98 122.476 122.476 123.626 -1.150 19654 2741 1 4 . 1 1 98 98 LEU HA H 98 3.805 3.805 4.105 -0.300 19654 2742 1 4 . 1 1 98 98 LEU CA C 98 58.818 58.818 58.430 0.388 19654 2743 1 4 . 1 1 98 98 LEU CB C 98 41.158 41.158 41.916 -0.758 19654 2744 1 4 . 1 1 98 98 LEU H H 98 7.769 7.769 8.129 -0.360 19654 2745 1 4 . 1 1 99 99 ILE N N 99 117.997 117.997 118.239 -0.242 19654 2746 1 4 . 1 1 99 99 ILE HA H 99 3.509 3.509 3.674 -0.165 19654 2747 1 4 . 1 1 99 99 ILE CA C 99 66.261 66.261 65.506 0.755 19654 2748 1 4 . 1 1 99 99 ILE CB C 99 38.350 38.350 37.463 0.887 19654 2749 1 4 . 1 1 99 99 ILE H H 99 8.175 8.175 8.061 0.114 19654 2750 1 4 . 1 1 100 100 SER N N 100 116.934 116.934 117.029 -0.095 19654 2751 1 4 . 1 1 100 100 SER HA H 100 4.447 4.447 4.379 0.068 19654 2752 1 4 . 1 1 100 100 SER CA C 100 63.290 63.290 62.804 0.486 19654 2753 1 4 . 1 1 100 100 SER CB C 100 62.867 62.867 63.059 -0.192 19654 2754 1 4 . 1 1 100 100 SER H H 100 8.989 8.989 8.736 0.253 19654 2755 1 4 . 1 1 101 101 PHE N N 101 124.640 124.640 123.502 1.138 19654 2756 1 4 . 1 1 101 101 PHE HA H 101 3.420 3.420 3.716 -0.296 19654 2757 1 4 . 1 1 101 101 PHE CA C 101 60.499 60.499 59.789 0.709 19654 2758 1 4 . 1 1 101 101 PHE CB C 101 37.333 37.333 38.399 -1.066 19654 2759 1 4 . 1 1 101 101 PHE H H 101 8.513 8.513 8.515 -0.002 19654 2760 1 4 . 1 1 102 102 GLY N N 102 106.116 106.116 106.959 -0.843 19654 2761 1 4 . 1 1 102 102 GLY CA C 102 48.166 48.166 47.018 1.148 19654 2762 1 4 . 1 1 102 102 GLY H H 102 8.111 8.111 8.214 -0.103 19654 2763 1 4 . 1 1 103 103 ALA N N 103 124.560 124.560 124.639 -0.079 19654 2764 1 4 . 1 1 103 103 ALA HA H 103 3.780 3.780 4.005 -0.225 19654 2765 1 4 . 1 1 103 103 ALA CA C 103 55.646 55.646 54.406 1.240 19654 2766 1 4 . 1 1 103 103 ALA CB C 103 18.476 18.476 18.415 0.062 19654 2767 1 4 . 1 1 103 103 ALA H H 103 8.437 8.437 8.158 0.279 19654 2768 1 4 . 1 1 104 104 PHE N N 104 120.981 120.981 120.273 0.708 19654 2769 1 4 . 1 1 104 104 PHE HA H 104 3.989 3.989 4.191 -0.202 19654 2770 1 4 . 1 1 104 104 PHE CA C 104 62.258 62.258 61.776 0.482 19654 2771 1 4 . 1 1 104 104 PHE CB C 104 39.949 39.949 39.618 0.331 19654 2772 1 4 . 1 1 104 104 PHE H H 104 8.213 8.213 8.169 0.044 19654 2773 1 4 . 1 1 105 105 VAL N N 105 120.473 120.473 119.090 1.383 19654 2774 1 4 . 1 1 105 105 VAL HA H 105 3.236 3.236 3.521 -0.285 19654 2775 1 4 . 1 1 105 105 VAL CA C 105 66.348 66.348 66.481 -0.133 19654 2776 1 4 . 1 1 105 105 VAL CB C 105 30.720 30.720 30.969 -0.249 19654 2777 1 4 . 1 1 105 105 VAL H H 105 8.513 8.513 8.163 0.350 19654 2778 1 4 . 1 1 106 106 ALA N N 106 123.948 123.948 123.018 0.930 19654 2779 1 4 . 1 1 106 106 ALA HA H 106 3.660 3.660 3.778 -0.118 19654 2780 1 4 . 1 1 106 106 ALA CA C 106 55.607 55.607 55.552 0.055 19654 2781 1 4 . 1 1 106 106 ALA CB C 106 18.003 18.003 18.014 -0.011 19654 2782 1 4 . 1 1 106 106 ALA H H 106 8.807 8.807 8.264 0.543 19654 2783 1 4 . 1 1 107 107 LYS N N 107 115.836 115.836 118.194 -2.358 19654 2784 1 4 . 1 1 107 107 LYS HA H 107 3.733 3.733 3.814 -0.081 19654 2785 1 4 . 1 1 107 107 LYS CA C 107 60.462 60.462 59.765 0.697 19654 2786 1 4 . 1 1 107 107 LYS CB C 107 31.907 31.907 32.052 -0.145 19654 2787 1 4 . 1 1 107 107 LYS H H 107 7.934 7.934 7.598 0.336 19654 2788 1 4 . 1 1 108 108 HIS N N 108 120.459 120.459 119.069 1.390 19654 2789 1 4 . 1 1 108 108 HIS HA H 108 4.212 4.212 4.252 -0.040 19654 2790 1 4 . 1 1 108 108 HIS CA C 108 59.623 59.623 59.166 0.457 19654 2791 1 4 . 1 1 108 108 HIS CB C 108 29.838 29.838 29.637 0.201 19654 2792 1 4 . 1 1 108 108 HIS H H 108 7.254 7.254 7.427 -0.173 19654 2793 1 4 . 1 1 109 109 LEU N N 109 118.336 118.336 120.147 -1.811 19654 2794 1 4 . 1 1 109 109 LEU HA H 109 3.640 3.640 3.729 -0.089 19654 2795 1 4 . 1 1 109 109 LEU CA C 109 56.945 56.945 57.948 -1.003 19654 2796 1 4 . 1 1 109 109 LEU CB C 109 39.709 39.709 41.624 -1.915 19654 2797 1 4 . 1 1 109 109 LEU H H 109 8.709 8.709 8.405 0.304 19654 2798 1 4 . 1 1 110 110 LYS N N 110 118.036 118.036 118.589 -0.553 19654 2799 1 4 . 1 1 110 110 LYS HA H 110 3.944 3.944 3.929 0.015 19654 2800 1 4 . 1 1 110 110 LYS CA C 110 58.967 58.967 59.522 -0.555 19654 2801 1 4 . 1 1 110 110 LYS CB C 110 32.220 32.220 32.240 -0.020 19654 2802 1 4 . 1 1 110 110 LYS H H 110 7.752 7.752 8.113 -0.361 19654 2803 1 4 . 1 1 111 111 THR N N 111 115.985 115.985 116.509 -0.524 19654 2804 1 4 . 1 1 111 111 THR HA H 111 3.990 3.990 4.035 -0.045 19654 2805 1 4 . 1 1 111 111 THR CA C 111 65.921 65.921 66.083 -0.162 19654 2806 1 4 . 1 1 111 111 THR CB C 111 68.611 68.611 68.927 -0.316 19654 2807 1 4 . 1 1 111 111 THR H H 111 7.832 7.832 7.688 0.144 19654 2808 1 4 . 1 1 112 112 ILE N N 112 112.606 112.606 114.806 -2.200 19654 2809 1 4 . 1 1 112 112 ILE HA H 112 4.454 4.454 4.307 0.147 19654 2810 1 4 . 1 1 112 112 ILE CA C 112 60.922 60.922 60.955 -0.033 19654 2811 1 4 . 1 1 112 112 ILE CB C 112 36.813 36.813 36.930 -0.117 19654 2812 1 4 . 1 1 112 112 ILE H H 112 7.262 7.262 7.497 -0.235 19654 2813 1 4 . 1 1 113 113 ASN N N 113 116.297 116.297 114.950 1.347 19654 2814 1 4 . 1 1 113 113 ASN HA H 113 4.576 4.576 4.389 0.187 19654 2815 1 4 . 1 1 113 113 ASN CA C 113 54.653 54.653 55.025 -0.372 19654 2816 1 4 . 1 1 113 113 ASN CB C 113 36.497 36.497 37.226 -0.729 19654 2817 1 4 . 1 1 113 113 ASN H H 113 7.816 7.816 7.668 0.148 19654 2818 1 4 . 1 1 114 114 GLN N N 114 117.958 117.958 117.368 0.590 19654 2819 1 4 . 1 1 114 114 GLN HA H 114 4.739 4.739 4.498 0.241 19654 2820 1 4 . 1 1 114 114 GLN CA C 114 54.079 54.079 54.251 -0.172 19654 2821 1 4 . 1 1 114 114 GLN CB C 114 28.840 28.840 27.655 1.185 19654 2822 1 4 . 1 1 114 114 GLN H H 114 8.522 8.522 8.391 0.131 19654 2823 1 4 . 1 1 115 115 GLU N N 115 120.597 120.597 121.966 -1.369 19654 2824 1 4 . 1 1 115 115 GLU HA H 115 3.646 3.646 3.944 -0.298 19654 2825 1 4 . 1 1 115 115 GLU CA C 115 59.569 59.569 59.839 -0.270 19654 2826 1 4 . 1 1 115 115 GLU CB C 115 29.061 29.061 29.250 -0.189 19654 2827 1 4 . 1 1 115 115 GLU H H 115 8.881 8.881 8.564 0.317 19654 2828 1 4 . 1 1 116 116 SER N N 116 115.352 115.352 114.959 0.393 19654 2829 1 4 . 1 1 116 116 SER HA H 116 4.250 4.250 4.137 0.113 19654 2830 1 4 . 1 1 116 116 SER CA C 116 60.593 60.593 61.576 -0.983 19654 2831 1 4 . 1 1 116 116 SER CB C 116 62.231 62.231 62.496 -0.265 19654 2832 1 4 . 1 1 116 116 SER H H 116 8.702 8.702 8.625 0.077 19654 2833 1 4 . 1 1 117 117 SER N N 117 116.944 116.944 118.246 -1.302 19654 2834 1 4 . 1 1 117 117 SER HA H 117 4.461 4.461 4.109 0.352 19654 2835 1 4 . 1 1 117 117 SER CA C 117 60.219 60.219 61.354 -1.135 19654 2836 1 4 . 1 1 117 117 SER CB C 117 64.116 64.116 62.862 1.254 19654 2837 1 4 . 1 1 117 117 SER H H 117 7.963 7.963 7.723 0.240 19654 2838 1 4 . 1 1 118 118 ILE N N 118 122.505 122.505 121.653 0.852 19654 2839 1 4 . 1 1 118 118 ILE HA H 118 3.419 3.419 3.583 -0.164 19654 2840 1 4 . 1 1 118 118 ILE CA C 118 66.227 66.227 65.099 1.128 19654 2841 1 4 . 1 1 118 118 ILE CB C 118 36.723 36.723 37.510 -0.787 19654 2842 1 4 . 1 1 118 118 ILE H H 118 7.945 7.945 7.478 0.467 19654 2843 1 4 . 1 1 119 119 GLU N N 119 119.604 119.604 119.984 -0.380 19654 2844 1 4 . 1 1 119 119 GLU HA H 119 4.244 4.244 4.198 0.046 19654 2845 1 4 . 1 1 119 119 GLU CA C 119 61.540 61.540 61.340 0.200 19654 2846 1 4 . 1 1 119 119 GLU CB C 119 26.092 26.092 27.812 -1.720 19654 2847 1 4 . 1 1 119 119 GLU H H 119 8.244 8.244 7.891 0.353 19654 2848 1 4 . 1 1 120 120 PRO HA H 120 4.446 4.446 4.458 -0.012 19654 2849 1 4 . 1 1 120 120 PRO CA C 120 65.583 65.583 65.438 0.145 19654 2850 1 4 . 1 1 120 120 PRO CB C 120 30.167 30.167 31.451 -1.284 19654 2851 1 4 . 1 1 121 121 LEU N N 121 120.974 120.974 120.124 0.850 19654 2852 1 4 . 1 1 121 121 LEU HA H 121 3.990 3.990 4.058 -0.068 19654 2853 1 4 . 1 1 121 121 LEU CA C 121 58.436 58.436 57.641 0.795 19654 2854 1 4 . 1 1 121 121 LEU CB C 121 40.988 40.988 41.687 -0.699 19654 2855 1 4 . 1 1 121 121 LEU H H 121 7.587 7.587 8.078 -0.491 19654 2856 1 4 . 1 1 122 122 ALA N N 122 121.982 121.982 121.523 0.459 19654 2857 1 4 . 1 1 122 122 ALA HA H 122 3.743 3.743 3.881 -0.138 19654 2858 1 4 . 1 1 122 122 ALA CA C 122 55.233 55.233 55.334 -0.101 19654 2859 1 4 . 1 1 122 122 ALA CB C 122 17.687 17.687 17.888 -0.201 19654 2860 1 4 . 1 1 122 122 ALA H H 122 8.593 8.593 8.110 0.483 19654 2861 1 4 . 1 1 123 123 GLU N N 123 120.516 120.516 118.466 2.050 19654 2862 1 4 . 1 1 123 123 GLU HA H 123 3.862 3.862 3.940 -0.078 19654 2863 1 4 . 1 1 123 123 GLU CA C 123 59.995 59.995 59.453 0.542 19654 2864 1 4 . 1 1 123 123 GLU CB C 123 29.298 29.298 29.476 -0.178 19654 2865 1 4 . 1 1 123 123 GLU H H 123 8.568 8.568 8.500 0.068 19654 2866 1 4 . 1 1 124 124 SER N N 124 116.054 116.054 115.650 0.404 19654 2867 1 4 . 1 1 124 124 SER HA H 124 4.367 4.367 4.243 0.124 19654 2868 1 4 . 1 1 124 124 SER CA C 124 62.240 62.240 62.378 -0.138 19654 2869 1 4 . 1 1 124 124 SER CB C 124 63.074 63.074 62.911 0.163 19654 2870 1 4 . 1 1 124 124 SER H H 124 8.282 8.282 7.975 0.307 19654 2871 1 4 . 1 1 125 125 ILE N N 125 120.575 120.575 122.351 -1.776 19654 2872 1 4 . 1 1 125 125 ILE HA H 125 3.627 3.627 3.802 -0.175 19654 2873 1 4 . 1 1 125 125 ILE CA C 125 64.655 64.655 64.415 0.240 19654 2874 1 4 . 1 1 125 125 ILE CB C 125 37.413 37.413 36.731 0.682 19654 2875 1 4 . 1 1 125 125 ILE H H 125 8.343 8.343 8.219 0.124 19654 2876 1 4 . 1 1 126 126 THR N N 126 116.459 116.459 115.987 0.472 19654 2877 1 4 . 1 1 126 126 THR HA H 126 3.482 3.482 4.061 -0.579 19654 2878 1 4 . 1 1 126 126 THR CA C 126 68.679 68.679 67.177 1.502 19654 2879 1 4 . 1 1 126 126 THR CB C 126 67.075 67.075 68.119 -1.044 19654 2880 1 4 . 1 1 126 126 THR H H 126 8.056 8.056 8.293 -0.237 19654 2881 1 4 . 1 1 127 127 ASP N N 127 120.236 120.236 122.343 -2.107 19654 2882 1 4 . 1 1 127 127 ASP HA H 127 4.481 4.481 4.531 -0.050 19654 2883 1 4 . 1 1 127 127 ASP CA C 127 58.322 58.322 57.795 0.527 19654 2884 1 4 . 1 1 127 127 ASP CB C 127 41.822 41.822 40.958 0.864 19654 2885 1 4 . 1 1 127 127 ASP H H 127 8.813 8.813 8.527 0.286 19654 2886 1 4 . 1 1 128 128 VAL N N 128 116.904 116.904 119.723 -2.819 19654 2887 1 4 . 1 1 128 128 VAL HA H 128 3.677 3.677 3.797 -0.120 19654 2888 1 4 . 1 1 128 128 VAL CA C 128 66.346 66.346 66.024 0.322 19654 2889 1 4 . 1 1 128 128 VAL CB C 128 31.351 31.351 31.489 -0.138 19654 2890 1 4 . 1 1 128 128 VAL H H 128 7.949 7.949 7.774 0.175 19654 2891 1 4 . 1 1 129 129 LEU N N 129 121.043 121.043 121.230 -0.187 19654 2892 1 4 . 1 1 129 129 LEU HA H 129 3.819 3.819 3.923 -0.104 19654 2893 1 4 . 1 1 129 129 LEU CA C 129 58.742 58.742 58.295 0.447 19654 2894 1 4 . 1 1 129 129 LEU CB C 129 42.370 42.370 42.051 0.319 19654 2895 1 4 . 1 1 129 129 LEU H H 129 8.198 8.198 7.938 0.260 19654 2896 1 4 . 1 1 130 130 VAL N N 130 114.370 114.370 117.805 -3.435 19654 2897 1 4 . 1 1 130 130 VAL HA H 130 3.525 3.525 3.645 -0.120 19654 2898 1 4 . 1 1 130 130 VAL CA C 130 66.004 66.004 65.986 0.018 19654 2899 1 4 . 1 1 130 130 VAL CB C 130 31.320 31.320 31.663 -0.343 19654 2900 1 4 . 1 1 130 130 VAL H H 130 8.858 8.858 8.415 0.443 19654 2901 1 4 . 1 1 131 131 ARG N N 131 115.890 115.890 119.766 -3.876 19654 2902 1 4 . 1 1 131 131 ARG HA H 131 4.284 4.284 4.088 0.196 19654 2903 1 4 . 1 1 131 131 ARG CA C 131 59.255 59.255 58.834 0.421 19654 2904 1 4 . 1 1 131 131 ARG CB C 131 30.009 30.009 30.100 -0.091 19654 2905 1 4 . 1 1 131 131 ARG H H 131 8.619 8.619 8.226 0.393 19654 2906 1 4 . 1 1 132 132 THR N N 132 106.654 106.654 108.899 -2.245 19654 2907 1 4 . 1 1 132 132 THR HA H 132 4.464 4.464 4.413 0.051 19654 2908 1 4 . 1 1 132 132 THR CA C 132 64.081 64.081 63.186 0.895 19654 2909 1 4 . 1 1 132 132 THR CB C 132 69.870 69.870 69.763 0.107 19654 2910 1 4 . 1 1 132 132 THR H H 132 7.530 7.530 7.693 -0.163 19654 2911 1 4 . 1 1 133 133 LYS N N 133 117.426 117.426 121.037 -3.611 19654 2912 1 4 . 1 1 133 133 LYS HA H 133 5.029 5.029 4.773 0.256 19654 2913 1 4 . 1 1 133 133 LYS CA C 133 53.009 53.009 54.999 -1.990 19654 2914 1 4 . 1 1 133 133 LYS CB C 133 31.044 31.044 32.390 -1.346 19654 2915 1 4 . 1 1 133 133 LYS H H 133 7.691 7.691 8.034 -0.343 19654 2916 1 4 . 1 1 134 134 ARG N N 134 120.904 120.904 121.397 -0.493 19654 2917 1 4 . 1 1 134 134 ARG HA H 134 3.679 3.679 3.853 -0.174 19654 2918 1 4 . 1 1 134 134 ARG CA C 134 61.456 61.456 60.882 0.574 19654 2919 1 4 . 1 1 134 134 ARG CB C 134 30.261 30.261 29.977 0.284 19654 2920 1 4 . 1 1 134 134 ARG H H 134 7.341 7.341 7.569 -0.228 19654 2921 1 4 . 1 1 135 135 ASP N N 135 114.262 114.262 118.294 -4.032 19654 2922 1 4 . 1 1 135 135 ASP HA H 135 4.238 4.238 4.250 -0.012 19654 2923 1 4 . 1 1 135 135 ASP CA C 135 57.595 57.595 57.826 -0.231 19654 2924 1 4 . 1 1 135 135 ASP CB C 135 39.961 39.961 39.719 0.242 19654 2925 1 4 . 1 1 135 135 ASP H H 135 8.386 8.386 8.713 -0.327 19654 2926 1 4 . 1 1 136 136 TRP N N 136 121.564 121.564 119.595 1.969 19654 2927 1 4 . 1 1 136 136 TRP HA H 136 3.858 3.858 4.373 -0.515 19654 2928 1 4 . 1 1 136 136 TRP CA C 136 62.373 62.373 59.493 2.880 19654 2929 1 4 . 1 1 136 136 TRP CB C 136 28.807 28.807 29.373 -0.566 19654 2930 1 4 . 1 1 136 136 TRP H H 136 7.844 7.844 7.663 0.180 19654 2931 1 4 . 1 1 137 137 LEU N N 137 117.395 117.395 119.735 -2.340 19654 2932 1 4 . 1 1 137 137 LEU HA H 137 3.461 3.461 3.895 -0.434 19654 2933 1 4 . 1 1 137 137 LEU CA C 137 58.325 58.325 58.201 0.124 19654 2934 1 4 . 1 1 137 137 LEU CB C 137 42.979 42.979 41.592 1.387 19654 2935 1 4 . 1 1 137 137 LEU H H 137 8.623 8.623 8.348 0.275 19654 2936 1 4 . 1 1 138 138 VAL N N 138 118.341 118.341 117.606 0.735 19654 2937 1 4 . 1 1 138 138 VAL HA H 138 3.586 3.586 3.781 -0.195 19654 2938 1 4 . 1 1 138 138 VAL CA C 138 66.501 66.501 65.246 1.255 19654 2939 1 4 . 1 1 138 138 VAL CB C 138 31.588 31.588 31.991 -0.403 19654 2940 1 4 . 1 1 138 138 VAL H H 138 8.631 8.631 7.997 0.634 19654 2941 1 4 . 1 1 139 139 LYS N N 139 122.096 122.096 118.930 3.166 19654 2942 1 4 . 1 1 139 139 LYS HA H 139 3.941 3.941 4.101 -0.160 19654 2943 1 4 . 1 1 139 139 LYS CA C 139 58.925 58.925 58.508 0.417 19654 2944 1 4 . 1 1 139 139 LYS CB C 139 31.752 31.752 32.340 -0.588 19654 2945 1 4 . 1 1 139 139 LYS H H 139 7.695 7.695 8.283 -0.588 19654 2946 1 4 . 1 1 140 140 GLN N N 140 115.416 115.416 116.278 -0.862 19654 2947 1 4 . 1 1 140 140 GLN HA H 140 3.970 3.970 4.376 -0.406 19654 2948 1 4 . 1 1 140 140 GLN CA C 140 54.309 54.309 54.967 -0.658 19654 2949 1 4 . 1 1 140 140 GLN CB C 140 27.174 27.174 29.811 -2.637 19654 2950 1 4 . 1 1 140 140 GLN H H 140 7.344 7.344 7.968 -0.624 19654 2951 1 4 . 1 1 141 141 ARG N N 141 110.160 110.160 115.783 -5.623 19654 2952 1 4 . 1 1 141 141 ARG HA H 141 3.899 3.899 4.036 -0.137 19654 2953 1 4 . 1 1 141 141 ARG CA C 141 57.400 57.400 56.318 1.082 19654 2954 1 4 . 1 1 141 141 ARG CB C 141 25.640 25.640 27.703 -2.063 19654 2955 1 4 . 1 1 141 141 ARG H H 141 7.677 7.677 7.758 -0.081 19654 2956 1 4 . 1 1 142 142 GLY N N 142 107.741 107.741 109.858 -2.117 19654 2957 1 4 . 1 1 142 142 GLY CA C 142 45.633 45.633 46.525 -0.892 19654 2958 1 4 . 1 1 142 142 GLY H H 142 8.931 8.931 8.798 0.133 19654 2959 1 4 . 1 1 143 143 TRP N N 143 123.871 123.871 120.219 3.652 19654 2960 1 4 . 1 1 143 143 TRP HA H 143 4.273 4.273 4.363 -0.090 19654 2961 1 4 . 1 1 143 143 TRP CA C 143 59.317 59.317 58.652 0.665 19654 2962 1 4 . 1 1 143 143 TRP CB C 143 28.435 28.435 29.145 -0.710 19654 2963 1 4 . 1 1 143 143 TRP H H 143 9.004 9.004 7.724 1.280 19654 2964 1 4 . 1 1 144 144 ASP N N 144 119.481 119.481 119.827 -0.346 19654 2965 1 4 . 1 1 144 144 ASP HA H 144 4.553 4.553 4.469 0.084 19654 2966 1 4 . 1 1 144 144 ASP CA C 144 57.825 57.825 57.750 0.075 19654 2967 1 4 . 1 1 144 144 ASP CB C 144 40.435 40.435 40.620 -0.185 19654 2968 1 4 . 1 1 144 144 ASP H H 144 8.071 8.071 7.829 0.242 19654 2969 1 4 . 1 1 145 145 GLY N N 145 109.653 109.653 108.331 1.322 19654 2970 1 4 . 1 1 145 145 GLY CA C 145 46.856 46.856 46.914 -0.058 19654 2971 1 4 . 1 1 145 145 GLY H H 145 7.493 7.493 8.490 -0.997 19654 2972 1 4 . 1 1 146 146 PHE N N 146 124.053 124.053 121.949 2.104 19654 2973 1 4 . 1 1 146 146 PHE HA H 146 2.455 2.455 3.596 -1.141 19654 2974 1 4 . 1 1 146 146 PHE CA C 146 60.349 60.349 61.311 -0.962 19654 2975 1 4 . 1 1 146 146 PHE CB C 146 38.607 38.607 39.140 -0.533 19654 2976 1 4 . 1 1 146 146 PHE H H 146 7.257 7.257 8.106 -0.849 19654 2977 1 4 . 1 1 147 147 VAL N N 147 116.525 116.525 117.450 -0.925 19654 2978 1 4 . 1 1 147 147 VAL HA H 147 3.298 3.298 3.727 -0.429 19654 2979 1 4 . 1 1 147 147 VAL CA C 147 66.080 66.080 65.780 0.300 19654 2980 1 4 . 1 1 147 147 VAL CB C 147 31.904 31.904 31.412 0.492 19654 2981 1 4 . 1 1 147 147 VAL H H 147 7.700 7.700 7.558 0.142 19654 2982 1 4 . 1 1 148 148 GLU N N 148 118.404 118.404 120.517 -2.113 19654 2983 1 4 . 1 1 148 148 GLU HA H 148 3.985 3.985 3.991 -0.006 19654 2984 1 4 . 1 1 148 148 GLU CA C 148 58.933 58.933 58.859 0.074 19654 2985 1 4 . 1 1 148 148 GLU CB C 148 29.535 29.535 29.033 0.502 19654 2986 1 4 . 1 1 148 148 GLU H H 148 7.801 7.801 7.883 -0.082 19654 2987 1 4 . 1 1 149 149 PHE N N 149 120.305 120.305 121.954 -1.649 19654 2988 1 4 . 1 1 149 149 PHE HA H 149 3.970 3.970 4.114 -0.144 19654 2989 1 4 . 1 1 149 149 PHE CA C 149 61.341 61.341 61.022 0.319 19654 2990 1 4 . 1 1 149 149 PHE CB C 149 39.011 39.011 39.212 -0.201 19654 2991 1 4 . 1 1 149 149 PHE H H 149 8.358 8.358 8.181 0.177 19654 2992 1 4 . 1 1 150 150 PHE N N 150 112.582 112.582 114.366 -1.784 19654 2993 1 4 . 1 1 150 150 PHE HA H 150 4.255 4.255 4.303 -0.048 19654 2994 1 4 . 1 1 150 150 PHE CA C 150 59.075 59.075 58.868 0.207 19654 2995 1 4 . 1 1 150 150 PHE CB C 150 39.487 39.487 38.923 0.563 19654 2996 1 4 . 1 1 150 150 PHE H H 150 6.927 6.927 7.453 -0.526 19654 2997 1 4 . 1 1 151 151 HIS N N 151 118.966 118.966 115.088 3.878 19654 2998 1 4 . 1 1 151 151 HIS HA H 151 4.370 4.370 4.368 0.002 19654 2999 1 4 . 1 1 151 151 HIS CA C 151 56.788 56.788 56.440 0.348 19654 3000 1 4 . 1 1 151 151 HIS CB C 151 28.827 28.827 27.882 0.945 19654 3001 1 4 . 1 1 151 151 HIS H H 151 7.483 7.483 7.315 0.168 19654 3002 1 4 . 1 1 152 152 VAL N N 152 120.499 120.499 117.764 2.735 19654 3003 1 4 . 1 1 152 152 VAL HA H 152 3.950 3.950 3.845 0.105 19654 3004 1 4 . 1 1 152 152 VAL CA C 152 62.110 62.110 65.902 -3.792 19654 3005 1 4 . 1 1 152 152 VAL CB C 152 32.593 32.593 32.086 0.507 19654 3006 1 4 . 1 1 152 152 VAL H H 152 8.103 8.103 8.002 0.101 19654 3007 1 4 . 1 1 153 153 GLU N N 153 123.580 123.580 116.298 7.282 19654 3008 1 4 . 1 1 153 153 GLU HA H 153 4.162 4.162 4.383 -0.221 19654 3009 1 4 . 1 1 153 153 GLU CA C 153 56.433 56.433 56.193 0.240 19654 3010 1 4 . 1 1 153 153 GLU CB C 153 30.101 30.101 29.630 0.471 19654 3011 1 4 . 1 1 153 153 GLU H H 153 8.446 8.446 8.502 -0.056 19654 3012 1 4 . 1 1 154 154 ASP N N 154 120.964 120.964 119.419 1.545 19654 3013 1 4 . 1 1 154 154 ASP HA H 154 4.565 4.565 4.432 0.133 19654 3014 1 4 . 1 1 154 154 ASP CA C 154 54.106 54.106 54.312 -0.206 19654 3015 1 4 . 1 1 154 154 ASP CB C 154 40.836 40.836 41.953 -1.117 19654 3016 1 4 . 1 1 154 154 ASP H H 154 8.325 8.325 7.951 0.374 19654 3017 1 4 . 1 1 155 155 LEU N N 155 122.311 122.311 114.279 8.032 19654 3018 1 4 . 1 1 155 155 LEU HA H 155 4.230 4.230 4.836 -0.606 19654 3019 1 4 . 1 1 155 155 LEU CA C 155 55.340 55.340 55.111 0.229 19654 3020 1 4 . 1 1 155 155 LEU CB C 155 42.094 42.094 42.034 0.060 19654 3021 1 4 . 1 1 155 155 LEU H H 155 8.210 8.210 8.243 -0.033 19654 3022 1 4 . 1 1 156 156 GLU N N 156 120.023 120.023 118.975 1.048 19654 3023 1 4 . 1 1 156 156 GLU HA H 156 4.218 4.218 4.407 -0.189 19654 3024 1 4 . 1 1 156 156 GLU CA C 156 56.831 56.831 56.108 0.723 19654 3025 1 4 . 1 1 156 156 GLU CB C 156 29.930 29.930 31.935 -2.005 19654 3026 1 4 . 1 1 156 156 GLU H H 156 8.396 8.396 8.226 0.170 19654 3027 1 4 . 1 1 157 157 GLY N N 157 109.371 109.371 109.333 0.038 19654 3028 1 4 . 1 1 157 157 GLY CA C 157 45.327 45.327 44.368 0.959 19654 3029 1 4 . 1 1 157 157 GLY H H 157 8.323 8.323 8.074 0.249 19654 3030 1 4 . 1 1 158 158 GLY N N 158 108.074 108.074 111.344 -3.270 19654 3031 1 4 . 1 1 158 158 GLY CA C 158 45.061 45.061 44.941 0.121 19654 3032 1 4 . 1 1 158 158 GLY H H 158 8.226 8.226 8.719 -0.493 19654 3033 1 4 . 1 1 159 159 HIS N N 159 117.875 117.875 120.706 -2.831 19654 3034 1 4 . 1 1 159 159 HIS HA H 159 4.551 4.551 4.255 0.296 19654 3035 1 4 . 1 1 159 159 HIS CA C 159 55.600 55.600 56.685 -1.085 19654 3036 1 4 . 1 1 159 159 HIS CB C 159 29.800 29.800 30.079 -0.279 19654 3037 1 4 . 1 1 159 159 HIS H H 159 8.210 8.210 7.774 0.436 19654 3038 1 4 . 1 1 161 161 HIS N N 161 125.094 125.094 122.467 2.627 19654 3039 1 4 . 1 1 161 161 HIS HA H 161 4.585 4.585 4.405 0.180 19654 3040 1 4 . 1 1 161 161 HIS H H 161 8.162 8.162 8.614 -0.452 19654 3041 1 5 . 1 1 2 2 GLU HA H 2 4.333 4.333 4.430 -0.097 19654 3042 1 5 . 1 1 2 2 GLU CA C 2 56.183 56.183 55.717 0.466 19654 3043 1 5 . 1 1 2 2 GLU CB C 2 30.150 30.150 30.703 -0.553 19654 3044 1 5 . 1 1 3 3 ASP N N 3 122.553 122.553 121.629 0.924 19654 3045 1 5 . 1 1 3 3 ASP HA H 3 4.729 4.729 4.607 0.122 19654 3046 1 5 . 1 1 3 3 ASP CA C 3 53.659 53.659 53.386 0.273 19654 3047 1 5 . 1 1 3 3 ASP CB C 3 41.319 41.319 43.040 -1.721 19654 3048 1 5 . 1 1 3 3 ASP H H 3 8.437 8.437 8.439 -0.002 19654 3049 1 5 . 1 1 4 4 GLU N N 4 125.121 125.121 122.124 2.997 19654 3050 1 5 . 1 1 4 4 GLU HA H 4 4.235 4.235 4.138 0.097 19654 3051 1 5 . 1 1 4 4 GLU CA C 4 58.915 58.915 59.386 -0.471 19654 3052 1 5 . 1 1 4 4 GLU CB C 4 29.274 29.274 29.703 -0.430 19654 3053 1 5 . 1 1 4 4 GLU H H 4 8.726 8.726 8.749 -0.023 19654 3054 1 5 . 1 1 5 5 LEU N N 5 120.976 120.976 120.486 0.490 19654 3055 1 5 . 1 1 5 5 LEU HA H 5 4.517 4.517 4.177 0.340 19654 3056 1 5 . 1 1 5 5 LEU CA C 5 57.939 57.939 58.347 -0.408 19654 3057 1 5 . 1 1 5 5 LEU CB C 5 40.917 40.917 41.707 -0.790 19654 3058 1 5 . 1 1 5 5 LEU H H 5 8.381 8.381 8.547 -0.166 19654 3059 1 5 . 1 1 6 6 TYR N N 6 123.977 123.977 118.288 5.689 19654 3060 1 5 . 1 1 6 6 TYR HA H 6 3.865 3.865 4.375 -0.510 19654 3061 1 5 . 1 1 6 6 TYR CA C 6 62.721 62.721 61.181 1.540 19654 3062 1 5 . 1 1 6 6 TYR CB C 6 38.475 38.475 38.428 0.047 19654 3063 1 5 . 1 1 6 6 TYR H H 6 8.342 8.342 7.988 0.354 19654 3064 1 5 . 1 1 7 7 ARG N N 7 118.301 118.301 118.861 -0.560 19654 3065 1 5 . 1 1 7 7 ARG HA H 7 3.828 3.828 3.932 -0.104 19654 3066 1 5 . 1 1 7 7 ARG CA C 7 59.619 59.619 58.380 1.239 19654 3067 1 5 . 1 1 7 7 ARG CB C 7 29.720 29.720 29.304 0.416 19654 3068 1 5 . 1 1 7 7 ARG H H 7 8.452 8.452 8.288 0.164 19654 3069 1 5 . 1 1 8 8 GLN N N 8 119.421 119.421 119.301 0.120 19654 3070 1 5 . 1 1 8 8 GLN HA H 8 3.944 3.944 3.891 0.053 19654 3071 1 5 . 1 1 8 8 GLN CA C 8 58.827 58.827 59.436 -0.609 19654 3072 1 5 . 1 1 8 8 GLN CB C 8 28.918 28.918 28.653 0.265 19654 3073 1 5 . 1 1 8 8 GLN H H 8 8.894 8.894 8.743 0.151 19654 3074 1 5 . 1 1 9 9 SER N N 9 113.384 113.384 115.638 -2.254 19654 3075 1 5 . 1 1 9 9 SER HA H 9 4.007 4.007 3.790 0.217 19654 3076 1 5 . 1 1 9 9 SER CA C 9 62.117 62.117 61.417 0.700 19654 3077 1 5 . 1 1 9 9 SER CB C 9 63.544 63.544 63.258 0.286 19654 3078 1 5 . 1 1 9 9 SER H H 9 8.018 8.018 7.832 0.186 19654 3079 1 5 . 1 1 10 10 LEU N N 10 121.112 121.112 124.367 -3.255 19654 3080 1 5 . 1 1 10 10 LEU HA H 10 4.130 4.130 4.027 0.103 19654 3081 1 5 . 1 1 10 10 LEU CA C 10 57.022 57.022 57.644 -0.622 19654 3082 1 5 . 1 1 10 10 LEU CB C 10 41.146 41.146 41.301 -0.155 19654 3083 1 5 . 1 1 10 10 LEU H H 10 8.599 8.599 8.241 0.358 19654 3084 1 5 . 1 1 11 11 GLU N N 11 120.653 120.653 119.417 1.236 19654 3085 1 5 . 1 1 11 11 GLU HA H 11 3.914 3.914 3.974 -0.060 19654 3086 1 5 . 1 1 11 11 GLU CA C 11 59.627 59.627 59.092 0.535 19654 3087 1 5 . 1 1 11 11 GLU CB C 11 29.298 29.298 29.136 0.162 19654 3088 1 5 . 1 1 11 11 GLU H H 11 7.806 7.806 8.082 -0.276 19654 3089 1 5 . 1 1 12 12 ILE N N 12 117.297 117.297 120.248 -2.951 19654 3090 1 5 . 1 1 12 12 ILE HA H 12 3.121 3.121 3.586 -0.465 19654 3091 1 5 . 1 1 12 12 ILE CA C 12 65.774 65.774 65.504 0.271 19654 3092 1 5 . 1 1 12 12 ILE CB C 12 39.143 39.143 37.708 1.435 19654 3093 1 5 . 1 1 12 12 ILE H H 12 7.401 7.401 7.499 -0.098 19654 3094 1 5 . 1 1 13 13 ILE N N 13 117.560 117.560 119.104 -1.544 19654 3095 1 5 . 1 1 13 13 ILE HA H 13 3.302 3.302 3.520 -0.218 19654 3096 1 5 . 1 1 13 13 ILE CA C 13 66.420 66.420 65.849 0.571 19654 3097 1 5 . 1 1 13 13 ILE CB C 13 37.714 37.714 37.480 0.234 19654 3098 1 5 . 1 1 13 13 ILE H H 13 8.378 8.378 8.052 0.326 19654 3099 1 5 . 1 1 14 14 SER N N 14 113.892 113.892 116.179 -2.287 19654 3100 1 5 . 1 1 14 14 SER HA H 14 3.889 3.889 3.962 -0.073 19654 3101 1 5 . 1 1 14 14 SER CA C 14 62.310 62.310 61.864 0.446 19654 3102 1 5 . 1 1 14 14 SER CB C 14 62.282 62.282 63.037 -0.755 19654 3103 1 5 . 1 1 14 14 SER H H 14 9.048 9.048 8.427 0.621 19654 3104 1 5 . 1 1 15 15 ARG N N 15 118.890 118.890 120.760 -1.870 19654 3105 1 5 . 1 1 15 15 ARG HA H 15 4.033 4.033 3.949 0.084 19654 3106 1 5 . 1 1 15 15 ARG CA C 15 59.496 59.496 59.609 -0.113 19654 3107 1 5 . 1 1 15 15 ARG CB C 15 29.727 29.727 30.053 -0.326 19654 3108 1 5 . 1 1 15 15 ARG H H 15 7.655 7.655 7.935 -0.280 19654 3109 1 5 . 1 1 16 16 TYR N N 16 119.757 119.757 121.982 -2.225 19654 3110 1 5 . 1 1 16 16 TYR HA H 16 4.146 4.146 4.210 -0.064 19654 3111 1 5 . 1 1 16 16 TYR CA C 16 61.265 61.265 60.545 0.720 19654 3112 1 5 . 1 1 16 16 TYR CB C 16 38.495 38.495 38.137 0.358 19654 3113 1 5 . 1 1 16 16 TYR H H 16 8.351 8.351 8.230 0.121 19654 3114 1 5 . 1 1 17 17 LEU N N 17 118.494 118.494 119.285 -0.791 19654 3115 1 5 . 1 1 17 17 LEU HA H 17 3.375 3.375 3.656 -0.281 19654 3116 1 5 . 1 1 17 17 LEU CA C 17 59.627 59.627 58.376 1.251 19654 3117 1 5 . 1 1 17 17 LEU CB C 17 39.949 39.949 41.102 -1.153 19654 3118 1 5 . 1 1 17 17 LEU H H 17 8.578 8.578 8.571 0.007 19654 3119 1 5 . 1 1 18 18 ARG N N 18 115.962 115.962 118.891 -2.929 19654 3120 1 5 . 1 1 18 18 ARG HA H 18 3.858 3.858 3.938 -0.080 19654 3121 1 5 . 1 1 18 18 ARG CA C 18 60.233 60.233 58.568 1.665 19654 3122 1 5 . 1 1 18 18 ARG CB C 18 29.993 29.993 29.384 0.610 19654 3123 1 5 . 1 1 18 18 ARG H H 18 8.044 8.044 8.264 -0.220 19654 3124 1 5 . 1 1 19 19 GLU N N 19 120.998 120.998 119.957 1.041 19654 3125 1 5 . 1 1 19 19 GLU HA H 19 4.153 4.153 4.151 0.002 19654 3126 1 5 . 1 1 19 19 GLU CA C 19 58.857 58.857 59.310 -0.453 19654 3127 1 5 . 1 1 19 19 GLU CB C 19 29.661 29.661 29.380 0.281 19654 3128 1 5 . 1 1 19 19 GLU H H 19 8.268 8.268 8.604 -0.336 19654 3129 1 5 . 1 1 20 20 GLN N N 20 119.903 119.903 116.681 3.222 19654 3130 1 5 . 1 1 20 20 GLN HA H 20 3.715 3.715 4.014 -0.299 19654 3131 1 5 . 1 1 20 20 GLN CA C 20 58.008 58.008 57.200 0.808 19654 3132 1 5 . 1 1 20 20 GLN CB C 20 28.666 28.666 28.134 0.532 19654 3133 1 5 . 1 1 20 20 GLN H H 20 8.193 8.193 7.896 0.297 19654 3134 1 5 . 1 1 21 21 ALA N N 21 117.771 117.771 120.446 -2.675 19654 3135 1 5 . 1 1 21 21 ALA HA H 21 3.985 3.985 4.141 -0.156 19654 3136 1 5 . 1 1 21 21 ALA CA C 21 54.397 54.397 54.366 0.031 19654 3137 1 5 . 1 1 21 21 ALA CB C 21 20.022 20.022 19.395 0.627 19654 3138 1 5 . 1 1 21 21 ALA H H 21 7.883 7.883 7.677 0.206 19654 3139 1 5 . 1 1 22 22 THR N N 22 103.721 103.721 108.368 -4.647 19654 3140 1 5 . 1 1 22 22 THR HA H 22 4.279 4.279 4.190 0.089 19654 3141 1 5 . 1 1 22 22 THR CA C 22 62.357 62.357 63.540 -1.183 19654 3142 1 5 . 1 1 22 22 THR CB C 22 71.071 71.071 70.304 0.767 19654 3143 1 5 . 1 1 22 22 THR H H 22 8.024 8.024 8.116 -0.092 19654 3144 1 5 . 1 1 23 23 GLY N N 23 111.610 111.610 111.319 0.291 19654 3145 1 5 . 1 1 23 23 GLY CA C 23 45.574 45.574 45.361 0.213 19654 3146 1 5 . 1 1 23 23 GLY H H 23 8.155 8.155 7.966 0.189 19654 3147 1 5 . 1 1 24 24 ALA N N 24 123.004 123.004 122.790 0.214 19654 3148 1 5 . 1 1 24 24 ALA HA H 24 4.526 4.526 4.600 -0.074 19654 3149 1 5 . 1 1 24 24 ALA CA C 24 50.763 50.763 51.183 -0.420 19654 3150 1 5 . 1 1 24 24 ALA CB C 24 20.186 20.186 20.469 -0.283 19654 3151 1 5 . 1 1 24 24 ALA H H 24 7.763 7.763 7.653 0.110 19654 3152 1 5 . 1 1 25 25 LYS N N 25 121.392 121.392 118.008 3.384 19654 3153 1 5 . 1 1 25 25 LYS HA H 25 4.181 4.181 4.503 -0.322 19654 3154 1 5 . 1 1 25 25 LYS CA C 25 55.729 55.729 55.503 0.226 19654 3155 1 5 . 1 1 25 25 LYS CB C 25 33.175 33.175 34.071 -0.896 19654 3156 1 5 . 1 1 25 25 LYS H H 25 8.349 8.349 8.180 0.169 19654 3157 1 5 . 1 1 26 26 ASP N N 26 124.433 124.433 122.489 1.944 19654 3158 1 5 . 1 1 26 26 ASP HA H 26 4.618 4.618 4.905 -0.287 19654 3159 1 5 . 1 1 26 26 ASP CA C 26 53.735 53.735 54.135 -0.400 19654 3160 1 5 . 1 1 26 26 ASP CB C 26 41.402 41.402 42.688 -1.286 19654 3161 1 5 . 1 1 26 26 ASP H H 26 8.803 8.803 9.008 -0.205 19654 3162 1 5 . 1 1 27 27 THR N N 27 116.332 116.332 119.941 -3.609 19654 3163 1 5 . 1 1 27 27 THR HA H 27 4.249 4.249 4.436 -0.187 19654 3164 1 5 . 1 1 27 27 THR CA C 27 61.268 61.268 61.216 0.052 19654 3165 1 5 . 1 1 27 27 THR CB C 27 68.993 68.993 68.837 0.156 19654 3166 1 5 . 1 1 27 27 THR H H 27 8.363 8.363 8.551 -0.188 19654 3167 1 5 . 1 1 28 28 LYS N N 28 125.551 125.551 123.080 2.471 19654 3168 1 5 . 1 1 28 28 LYS HA H 28 4.437 4.437 4.580 -0.143 19654 3169 1 5 . 1 1 28 28 LYS CA C 28 55.188 55.188 54.722 0.466 19654 3170 1 5 . 1 1 28 28 LYS CB C 28 31.409 31.409 31.901 -0.492 19654 3171 1 5 . 1 1 28 28 LYS H H 28 8.346 8.346 7.818 0.528 19654 3172 1 5 . 1 1 29 29 PRO HA H 29 4.392 4.392 4.312 0.080 19654 3173 1 5 . 1 1 29 29 PRO CA C 29 63.164 63.164 64.010 -0.846 19654 3174 1 5 . 1 1 29 29 PRO CB C 29 31.904 31.904 31.975 -0.071 19654 3175 1 5 . 1 1 30 30 MET N N 30 121.136 121.136 120.733 0.403 19654 3176 1 5 . 1 1 30 30 MET HA H 30 4.381 4.381 4.660 -0.279 19654 3177 1 5 . 1 1 30 30 MET CA C 30 55.229 55.229 55.004 0.225 19654 3178 1 5 . 1 1 30 30 MET CB C 30 33.819 33.819 34.678 -0.859 19654 3179 1 5 . 1 1 30 30 MET H H 30 8.585 8.585 8.639 -0.054 19654 3180 1 5 . 1 1 31 31 GLY N N 31 109.849 109.849 104.167 5.682 19654 3181 1 5 . 1 1 31 31 GLY CA C 31 44.983 44.983 44.153 0.830 19654 3182 1 5 . 1 1 31 31 GLY H H 31 8.930 8.930 7.435 1.495 19654 3183 1 5 . 1 1 32 32 ARG N N 32 121.001 121.001 120.134 0.867 19654 3184 1 5 . 1 1 32 32 ARG HA H 32 4.239 4.239 4.299 -0.060 19654 3185 1 5 . 1 1 32 32 ARG CA C 32 56.755 56.755 57.986 -1.232 19654 3186 1 5 . 1 1 32 32 ARG CB C 32 30.110 30.110 30.802 -0.692 19654 3187 1 5 . 1 1 32 32 ARG H H 32 8.447 8.447 8.449 -0.002 19654 3188 1 5 . 1 1 33 33 SER N N 33 119.991 119.991 112.986 7.005 19654 3189 1 5 . 1 1 33 33 SER HA H 33 4.386 4.386 4.288 0.098 19654 3190 1 5 . 1 1 33 33 SER CA C 33 58.502 58.502 60.023 -1.521 19654 3191 1 5 . 1 1 33 33 SER CB C 33 62.609 62.609 63.756 -1.147 19654 3192 1 5 . 1 1 33 33 SER H H 33 8.667 8.667 8.189 0.478 19654 3193 1 5 . 1 1 34 34 GLY N N 34 108.582 108.582 109.011 -0.429 19654 3194 1 5 . 1 1 34 34 GLY CA C 34 46.637 46.637 45.108 1.529 19654 3195 1 5 . 1 1 34 34 GLY H H 34 8.216 8.216 7.563 0.653 19654 3196 1 5 . 1 1 35 35 ALA N N 35 123.445 123.445 125.535 -2.090 19654 3197 1 5 . 1 1 35 35 ALA HA H 35 4.193 4.193 4.026 0.167 19654 3198 1 5 . 1 1 35 35 ALA CA C 35 54.770 54.770 55.378 -0.608 19654 3199 1 5 . 1 1 35 35 ALA CB C 35 18.437 18.437 18.561 -0.124 19654 3200 1 5 . 1 1 35 35 ALA H H 35 8.506 8.506 8.654 -0.148 19654 3201 1 5 . 1 1 36 36 THR N N 36 115.716 115.716 114.208 1.508 19654 3202 1 5 . 1 1 36 36 THR HA H 36 3.919 3.919 3.941 -0.022 19654 3203 1 5 . 1 1 36 36 THR CA C 36 67.249 67.249 66.848 0.401 19654 3204 1 5 . 1 1 36 36 THR CB C 36 68.225 68.225 68.607 -0.382 19654 3205 1 5 . 1 1 36 36 THR H H 36 8.262 8.262 8.427 -0.165 19654 3206 1 5 . 1 1 37 37 SER N N 37 117.911 117.911 116.732 1.179 19654 3207 1 5 . 1 1 37 37 SER HA H 37 3.869 3.869 4.063 -0.194 19654 3208 1 5 . 1 1 37 37 SER CA C 37 62.333 62.333 61.263 1.070 19654 3209 1 5 . 1 1 37 37 SER CB C 37 62.333 62.333 62.403 -0.070 19654 3210 1 5 . 1 1 37 37 SER H H 37 8.389 8.389 7.753 0.636 19654 3211 1 5 . 1 1 38 38 ARG N N 38 120.924 120.924 123.212 -2.288 19654 3212 1 5 . 1 1 38 38 ARG HA H 38 3.901 3.901 4.013 -0.112 19654 3213 1 5 . 1 1 38 38 ARG CA C 38 59.923 59.923 58.642 1.281 19654 3214 1 5 . 1 1 38 38 ARG CB C 38 29.759 29.759 30.020 -0.261 19654 3215 1 5 . 1 1 38 38 ARG H H 38 8.278 8.278 7.866 0.412 19654 3216 1 5 . 1 1 39 39 LYS N N 39 119.172 119.172 119.214 -0.042 19654 3217 1 5 . 1 1 39 39 LYS HA H 39 4.151 4.151 4.411 -0.260 19654 3218 1 5 . 1 1 39 39 LYS CA C 39 59.086 59.086 59.399 -0.313 19654 3219 1 5 . 1 1 39 39 LYS CB C 39 32.807 32.807 32.298 0.509 19654 3220 1 5 . 1 1 39 39 LYS H H 39 7.930 7.930 8.460 -0.530 19654 3221 1 5 . 1 1 40 40 ALA N N 40 125.586 125.586 123.116 2.470 19654 3222 1 5 . 1 1 40 40 ALA HA H 40 4.175 4.175 4.196 -0.021 19654 3223 1 5 . 1 1 40 40 ALA CA C 40 55.633 55.633 55.180 0.453 19654 3224 1 5 . 1 1 40 40 ALA CB C 40 18.675 18.675 18.318 0.357 19654 3225 1 5 . 1 1 40 40 ALA H H 40 9.192 9.192 8.084 1.108 19654 3226 1 5 . 1 1 41 41 LEU N N 41 120.080 120.080 119.879 0.201 19654 3227 1 5 . 1 1 41 41 LEU HA H 41 3.930 3.930 3.810 0.120 19654 3228 1 5 . 1 1 41 41 LEU CA C 41 58.169 58.169 57.901 0.267 19654 3229 1 5 . 1 1 41 41 LEU CB C 41 41.683 41.683 41.696 -0.013 19654 3230 1 5 . 1 1 41 41 LEU H H 41 8.209 8.209 7.653 0.556 19654 3231 1 5 . 1 1 42 42 GLU N N 42 117.875 117.875 117.444 0.431 19654 3232 1 5 . 1 1 42 42 GLU HA H 42 3.977 3.977 3.915 0.062 19654 3233 1 5 . 1 1 42 42 GLU CA C 42 59.335 59.335 59.473 -0.138 19654 3234 1 5 . 1 1 42 42 GLU CB C 42 29.176 29.176 28.984 0.192 19654 3235 1 5 . 1 1 42 42 GLU H H 42 8.197 8.197 8.092 0.105 19654 3236 1 5 . 1 1 43 43 THR N N 43 116.912 116.912 117.998 -1.086 19654 3237 1 5 . 1 1 43 43 THR HA H 43 3.793 3.793 4.011 -0.218 19654 3238 1 5 . 1 1 43 43 THR CA C 43 67.517 67.517 66.996 0.521 19654 3239 1 5 . 1 1 43 43 THR CB C 43 68.089 68.089 68.674 -0.586 19654 3240 1 5 . 1 1 43 43 THR H H 43 8.183 8.183 8.150 0.033 19654 3241 1 5 . 1 1 44 44 LEU N N 44 123.099 123.099 121.389 1.710 19654 3242 1 5 . 1 1 44 44 LEU HA H 44 3.699 3.699 3.910 -0.211 19654 3243 1 5 . 1 1 44 44 LEU CA C 44 58.261 58.261 58.072 0.189 19654 3244 1 5 . 1 1 44 44 LEU CB C 44 40.988 40.988 41.503 -0.515 19654 3245 1 5 . 1 1 44 44 LEU H H 44 8.509 8.509 8.472 0.037 19654 3246 1 5 . 1 1 45 45 ARG N N 45 116.885 116.885 118.004 -1.119 19654 3247 1 5 . 1 1 45 45 ARG HA H 45 4.125 4.125 4.088 0.037 19654 3248 1 5 . 1 1 45 45 ARG CA C 45 59.617 59.617 59.176 0.441 19654 3249 1 5 . 1 1 45 45 ARG CB C 45 30.423 30.423 29.824 0.599 19654 3250 1 5 . 1 1 45 45 ARG H H 45 8.398 8.398 8.373 0.025 19654 3251 1 5 . 1 1 46 46 ARG N N 46 117.297 117.297 120.134 -2.837 19654 3252 1 5 . 1 1 46 46 ARG HA H 46 4.229 4.229 4.191 0.038 19654 3253 1 5 . 1 1 46 46 ARG CA C 46 58.427 58.427 58.900 -0.473 19654 3254 1 5 . 1 1 46 46 ARG CB C 46 30.408 30.408 30.158 0.250 19654 3255 1 5 . 1 1 46 46 ARG H H 46 7.421 7.421 8.089 -0.668 19654 3256 1 5 . 1 1 47 47 VAL N N 47 114.304 114.304 115.541 -1.237 19654 3257 1 5 . 1 1 47 47 VAL HA H 47 4.094 4.094 4.200 -0.106 19654 3258 1 5 . 1 1 47 47 VAL CA C 47 63.242 63.242 64.498 -1.256 19654 3259 1 5 . 1 1 47 47 VAL CB C 47 32.378 32.378 31.596 0.782 19654 3260 1 5 . 1 1 47 47 VAL H H 47 8.515 8.515 8.053 0.463 19654 3261 1 5 . 1 1 48 48 GLY N N 48 110.132 110.132 109.351 0.781 19654 3262 1 5 . 1 1 48 48 GLY CA C 48 46.588 46.588 47.531 -0.943 19654 3263 1 5 . 1 1 48 48 GLY H H 48 8.890 8.890 8.425 0.465 19654 3264 1 5 . 1 1 49 49 ASP N N 49 121.292 121.292 122.551 -1.259 19654 3265 1 5 . 1 1 49 49 ASP HA H 49 4.456 4.456 4.466 -0.010 19654 3266 1 5 . 1 1 49 49 ASP CA C 49 57.787 57.787 57.899 -0.112 19654 3267 1 5 . 1 1 49 49 ASP CB C 49 40.912 40.912 40.820 0.092 19654 3268 1 5 . 1 1 49 49 ASP H H 49 7.392 7.392 8.088 -0.696 19654 3269 1 5 . 1 1 50 50 GLY N N 50 106.682 106.682 107.486 -0.804 19654 3270 1 5 . 1 1 50 50 GLY CA C 50 46.932 46.932 47.080 -0.148 19654 3271 1 5 . 1 1 50 50 GLY H H 50 8.132 8.132 7.865 0.267 19654 3272 1 5 . 1 1 51 51 VAL N N 51 121.747 121.747 122.536 -0.789 19654 3273 1 5 . 1 1 51 51 VAL HA H 51 3.944 3.944 3.663 0.281 19654 3274 1 5 . 1 1 51 51 VAL CA C 51 66.355 66.355 66.730 -0.375 19654 3275 1 5 . 1 1 51 51 VAL CB C 51 31.594 31.594 31.573 0.021 19654 3276 1 5 . 1 1 51 51 VAL H H 51 7.476 7.476 7.783 -0.307 19654 3277 1 5 . 1 1 52 52 GLN N N 52 118.494 118.494 118.615 -0.121 19654 3278 1 5 . 1 1 52 52 GLN HA H 52 3.913 3.913 4.081 -0.168 19654 3279 1 5 . 1 1 52 52 GLN CA C 52 60.391 60.391 59.352 1.038 19654 3280 1 5 . 1 1 52 52 GLN CB C 52 29.682 29.682 28.669 1.013 19654 3281 1 5 . 1 1 52 52 GLN H H 52 8.439 8.439 8.611 -0.172 19654 3282 1 5 . 1 1 53 53 ARG N N 53 116.807 116.807 119.158 -2.351 19654 3283 1 5 . 1 1 53 53 ARG HA H 53 4.163 4.163 4.098 0.065 19654 3284 1 5 . 1 1 53 53 ARG CA C 53 59.086 59.086 58.473 0.613 19654 3285 1 5 . 1 1 53 53 ARG CB C 53 30.009 30.009 29.794 0.215 19654 3286 1 5 . 1 1 53 53 ARG H H 53 7.873 7.873 7.802 0.071 19654 3287 1 5 . 1 1 54 54 ASN N N 54 116.356 116.356 115.290 1.066 19654 3288 1 5 . 1 1 54 54 ASN HA H 54 4.448 4.448 4.483 -0.035 19654 3289 1 5 . 1 1 54 54 ASN CA C 54 54.694 54.694 55.287 -0.593 19654 3290 1 5 . 1 1 54 54 ASN CB C 54 38.302 38.302 38.166 0.136 19654 3291 1 5 . 1 1 54 54 ASN H H 54 8.123 8.123 7.776 0.347 19654 3292 1 5 . 1 1 55 55 HIS N N 55 114.809 114.809 117.664 -2.855 19654 3293 1 5 . 1 1 55 55 HIS HA H 55 4.504 4.504 4.229 0.275 19654 3294 1 5 . 1 1 55 55 HIS CA C 55 55.949 55.949 58.145 -2.196 19654 3295 1 5 . 1 1 55 55 HIS CB C 55 28.341 28.341 30.104 -1.763 19654 3296 1 5 . 1 1 55 55 HIS H H 55 7.558 7.558 8.021 -0.463 19654 3297 1 5 . 1 1 56 56 GLU N N 56 121.943 121.943 121.160 0.783 19654 3298 1 5 . 1 1 56 56 GLU HA H 56 3.640 3.640 3.784 -0.144 19654 3299 1 5 . 1 1 56 56 GLU CA C 56 61.360 61.360 60.147 1.214 19654 3300 1 5 . 1 1 56 56 GLU CB C 56 30.006 30.006 29.350 0.656 19654 3301 1 5 . 1 1 56 56 GLU H H 56 7.071 7.071 8.170 -1.099 19654 3302 1 5 . 1 1 57 57 THR N N 57 112.827 112.827 113.704 -0.877 19654 3303 1 5 . 1 1 57 57 THR HA H 57 3.984 3.984 4.047 -0.063 19654 3304 1 5 . 1 1 57 57 THR CA C 57 66.247 66.247 65.730 0.517 19654 3305 1 5 . 1 1 57 57 THR CB C 57 68.002 68.002 68.618 -0.616 19654 3306 1 5 . 1 1 57 57 THR H H 57 8.324 8.324 8.161 0.163 19654 3307 1 5 . 1 1 58 58 ALA N N 58 126.520 126.520 123.671 2.849 19654 3308 1 5 . 1 1 58 58 ALA HA H 58 4.147 4.147 4.160 -0.013 19654 3309 1 5 . 1 1 58 58 ALA CA C 58 54.707 54.707 54.549 0.158 19654 3310 1 5 . 1 1 58 58 ALA CB C 58 17.734 17.734 18.052 -0.318 19654 3311 1 5 . 1 1 58 58 ALA H H 58 7.910 7.910 7.381 0.529 19654 3312 1 5 . 1 1 59 59 PHE N N 59 119.326 119.326 118.239 1.087 19654 3313 1 5 . 1 1 59 59 PHE HA H 59 4.518 4.518 4.100 0.418 19654 3314 1 5 . 1 1 59 59 PHE CA C 59 56.946 56.946 58.874 -1.928 19654 3315 1 5 . 1 1 59 59 PHE CB C 59 34.583 34.583 37.398 -2.815 19654 3316 1 5 . 1 1 59 59 PHE H H 59 9.017 9.017 8.269 0.748 19654 3317 1 5 . 1 1 60 60 GLN N N 60 119.670 119.670 118.319 1.351 19654 3318 1 5 . 1 1 60 60 GLN HA H 60 4.232 4.232 4.179 0.053 19654 3319 1 5 . 1 1 60 60 GLN CA C 60 59.359 59.359 59.476 -0.117 19654 3320 1 5 . 1 1 60 60 GLN CB C 60 28.009 28.009 28.072 -0.063 19654 3321 1 5 . 1 1 60 60 GLN H H 60 8.678 8.678 8.732 -0.054 19654 3322 1 5 . 1 1 61 61 GLY N N 61 106.140 106.140 105.455 0.685 19654 3323 1 5 . 1 1 61 61 GLY CA C 61 47.085 47.085 46.687 0.398 19654 3324 1 5 . 1 1 61 61 GLY H H 61 7.975 7.975 7.809 0.166 19654 3325 1 5 . 1 1 62 62 MET N N 62 120.973 120.973 120.020 0.953 19654 3326 1 5 . 1 1 62 62 MET HA H 62 4.080 4.080 4.336 -0.256 19654 3327 1 5 . 1 1 62 62 MET CA C 62 58.752 58.752 58.391 0.361 19654 3328 1 5 . 1 1 62 62 MET CB C 62 33.824 33.824 32.921 0.903 19654 3329 1 5 . 1 1 62 62 MET H H 62 8.007 8.007 7.585 0.422 19654 3330 1 5 . 1 1 63 63 LEU N N 63 119.043 119.043 120.114 -1.071 19654 3331 1 5 . 1 1 63 63 LEU HA H 63 4.139 4.139 4.000 0.139 19654 3332 1 5 . 1 1 63 63 LEU CA C 63 57.645 57.645 58.700 -1.055 19654 3333 1 5 . 1 1 63 63 LEU CB C 63 42.173 42.173 41.043 1.130 19654 3334 1 5 . 1 1 63 63 LEU H H 63 8.394 8.394 8.893 -0.499 19654 3335 1 5 . 1 1 64 64 ARG N N 64 117.294 117.294 118.676 -1.382 19654 3336 1 5 . 1 1 64 64 ARG HA H 64 4.090 4.090 4.097 -0.007 19654 3337 1 5 . 1 1 64 64 ARG CA C 64 58.551 58.551 58.860 -0.309 19654 3338 1 5 . 1 1 64 64 ARG CB C 64 29.772 29.772 29.896 -0.124 19654 3339 1 5 . 1 1 64 64 ARG H H 64 7.912 7.912 8.139 -0.227 19654 3340 1 5 . 1 1 65 65 LYS N N 65 116.840 116.840 118.388 -1.548 19654 3341 1 5 . 1 1 65 65 LYS HA H 65 4.165 4.165 4.361 -0.196 19654 3342 1 5 . 1 1 65 65 LYS CA C 65 57.175 57.175 57.230 -0.055 19654 3343 1 5 . 1 1 65 65 LYS CB C 65 32.299 32.299 32.871 -0.572 19654 3344 1 5 . 1 1 65 65 LYS H H 65 7.506 7.506 7.786 -0.280 19654 3345 1 5 . 1 1 66 66 LEU N N 66 119.257 119.257 120.707 -1.450 19654 3346 1 5 . 1 1 66 66 LEU HA H 66 4.232 4.232 4.315 -0.083 19654 3347 1 5 . 1 1 66 66 LEU CA C 66 55.442 55.442 56.648 -1.206 19654 3348 1 5 . 1 1 66 66 LEU CB C 66 43.042 43.042 42.520 0.522 19654 3349 1 5 . 1 1 66 66 LEU H H 66 7.736 7.736 7.815 -0.079 19654 3350 1 5 . 1 1 67 67 ASP N N 67 119.743 119.743 118.672 1.071 19654 3351 1 5 . 1 1 67 67 ASP HA H 67 4.457 4.457 4.337 0.120 19654 3352 1 5 . 1 1 67 67 ASP CA C 67 53.850 53.850 54.877 -1.027 19654 3353 1 5 . 1 1 67 67 ASP CB C 67 40.195 40.195 40.764 -0.569 19654 3354 1 5 . 1 1 67 67 ASP H H 67 8.068 8.068 8.252 -0.184 19654 3355 1 5 . 1 1 68 68 ILE N N 68 120.055 120.055 124.538 -4.483 19654 3356 1 5 . 1 1 68 68 ILE HA H 68 3.870 3.870 4.223 -0.353 19654 3357 1 5 . 1 1 68 68 ILE CA C 68 61.524 61.524 60.398 1.126 19654 3358 1 5 . 1 1 68 68 ILE CB C 68 37.986 37.986 36.925 1.062 19654 3359 1 5 . 1 1 68 68 ILE H H 68 8.275 8.275 8.744 -0.469 19654 3360 1 5 . 1 1 69 69 LYS N N 69 126.186 126.186 127.569 -1.383 19654 3361 1 5 . 1 1 69 69 LYS HA H 69 4.481 4.481 4.459 0.022 19654 3362 1 5 . 1 1 69 69 LYS CA C 69 56.304 56.304 55.619 0.685 19654 3363 1 5 . 1 1 69 69 LYS CB C 69 34.136 34.136 33.015 1.121 19654 3364 1 5 . 1 1 69 69 LYS H H 69 9.722 9.722 8.983 0.739 19654 3365 1 5 . 1 1 70 70 ASN N N 70 115.056 115.056 116.296 -1.240 19654 3366 1 5 . 1 1 70 70 ASN HA H 70 4.700 4.700 4.790 -0.090 19654 3367 1 5 . 1 1 70 70 ASN CA C 70 51.977 51.977 52.097 -0.120 19654 3368 1 5 . 1 1 70 70 ASN CB C 70 39.474 39.474 40.138 -0.664 19654 3369 1 5 . 1 1 70 70 ASN H H 70 7.959 7.959 8.173 -0.214 19654 3370 1 5 . 1 1 71 71 GLU N N 71 118.214 118.214 119.398 -1.184 19654 3371 1 5 . 1 1 71 71 GLU HA H 71 3.967 3.967 3.924 0.043 19654 3372 1 5 . 1 1 71 71 GLU CA C 71 59.354 59.354 59.703 -0.349 19654 3373 1 5 . 1 1 71 71 GLU CB C 71 29.520 29.520 29.659 -0.139 19654 3374 1 5 . 1 1 71 71 GLU H H 71 8.831 8.831 8.836 -0.005 19654 3375 1 5 . 1 1 72 72 ASP N N 72 120.319 120.319 118.949 1.370 19654 3376 1 5 . 1 1 72 72 ASP HA H 72 4.422 4.422 4.336 0.086 19654 3377 1 5 . 1 1 72 72 ASP CA C 72 57.036 57.036 57.640 -0.604 19654 3378 1 5 . 1 1 72 72 ASP CB C 72 39.945 39.945 40.777 -0.832 19654 3379 1 5 . 1 1 72 72 ASP H H 72 8.167 8.167 8.658 -0.491 19654 3380 1 5 . 1 1 73 73 ASP N N 73 119.793 119.793 119.280 0.513 19654 3381 1 5 . 1 1 73 73 ASP HA H 73 4.521 4.521 4.425 0.096 19654 3382 1 5 . 1 1 73 73 ASP CA C 73 56.337 56.337 57.449 -1.112 19654 3383 1 5 . 1 1 73 73 ASP CB C 73 41.927 41.927 40.356 1.571 19654 3384 1 5 . 1 1 73 73 ASP H H 73 8.153 8.153 7.878 0.275 19654 3385 1 5 . 1 1 74 74 VAL N N 74 117.572 117.572 120.688 -3.116 19654 3386 1 5 . 1 1 74 74 VAL HA H 74 3.714 3.714 3.670 0.044 19654 3387 1 5 . 1 1 74 74 VAL CA C 74 65.498 65.498 66.303 -0.805 19654 3388 1 5 . 1 1 74 74 VAL CB C 74 31.077 31.077 31.709 -0.632 19654 3389 1 5 . 1 1 74 74 VAL H H 74 7.629 7.629 7.255 0.374 19654 3390 1 5 . 1 1 75 75 LYS N N 75 119.403 119.403 118.722 0.681 19654 3391 1 5 . 1 1 75 75 LYS HA H 75 4.154 4.154 4.083 0.071 19654 3392 1 5 . 1 1 75 75 LYS CA C 75 59.034 59.034 58.985 0.049 19654 3393 1 5 . 1 1 75 75 LYS CB C 75 31.909 31.909 32.037 -0.128 19654 3394 1 5 . 1 1 75 75 LYS H H 75 7.961 7.961 7.987 -0.026 19654 3395 1 5 . 1 1 76 76 SER N N 76 114.355 114.355 116.307 -1.952 19654 3396 1 5 . 1 1 76 76 SER HA H 76 4.453 4.453 4.239 0.214 19654 3397 1 5 . 1 1 76 76 SER CA C 76 60.061 60.061 61.157 -1.096 19654 3398 1 5 . 1 1 76 76 SER CB C 76 63.023 63.023 63.012 0.011 19654 3399 1 5 . 1 1 76 76 SER H H 76 7.919 7.919 7.985 -0.066 19654 3400 1 5 . 1 1 77 77 LEU N N 77 121.954 121.954 121.720 0.234 19654 3401 1 5 . 1 1 77 77 LEU HA H 77 4.230 4.230 3.988 0.242 19654 3402 1 5 . 1 1 77 77 LEU CA C 77 56.764 56.764 57.650 -0.886 19654 3403 1 5 . 1 1 77 77 LEU CB C 77 41.695 41.695 41.559 0.136 19654 3404 1 5 . 1 1 77 77 LEU H H 77 7.883 7.883 8.173 -0.290 19654 3405 1 5 . 1 1 78 78 SER N N 78 115.268 115.268 113.542 1.726 19654 3406 1 5 . 1 1 78 78 SER HA H 78 3.962 3.962 4.084 -0.122 19654 3407 1 5 . 1 1 78 78 SER CA C 78 62.337 62.337 61.958 0.379 19654 3408 1 5 . 1 1 78 78 SER CB C 78 62.218 62.218 62.997 -0.779 19654 3409 1 5 . 1 1 78 78 SER H H 78 8.185 8.185 7.925 0.260 19654 3410 1 5 . 1 1 79 79 ARG N N 79 119.021 119.021 119.875 -0.854 19654 3411 1 5 . 1 1 79 79 ARG HA H 79 4.090 4.090 3.982 0.108 19654 3412 1 5 . 1 1 79 79 ARG CA C 79 58.849 58.849 58.481 0.368 19654 3413 1 5 . 1 1 79 79 ARG CB C 79 29.930 29.930 29.577 0.353 19654 3414 1 5 . 1 1 79 79 ARG H H 79 7.684 7.684 7.707 -0.023 19654 3415 1 5 . 1 1 80 80 VAL N N 80 116.979 116.979 120.005 -3.026 19654 3416 1 5 . 1 1 80 80 VAL HA H 80 3.953 3.953 3.850 0.103 19654 3417 1 5 . 1 1 80 80 VAL CA C 80 64.228 64.228 65.855 -1.627 19654 3418 1 5 . 1 1 80 80 VAL CB C 80 32.210 32.210 31.806 0.404 19654 3419 1 5 . 1 1 80 80 VAL H H 80 7.479 7.479 7.213 0.266 19654 3420 1 5 . 1 1 81 81 MET N N 81 117.822 117.822 118.558 -0.736 19654 3421 1 5 . 1 1 81 81 MET HA H 81 4.053 4.053 4.122 -0.069 19654 3422 1 5 . 1 1 81 81 MET CA C 81 58.322 58.322 57.502 0.820 19654 3423 1 5 . 1 1 81 81 MET CB C 81 32.555 32.555 31.433 1.122 19654 3424 1 5 . 1 1 81 81 MET H H 81 8.104 8.104 8.223 -0.119 19654 3425 1 5 . 1 1 82 82 ILE N N 82 116.348 116.348 117.332 -0.984 19654 3426 1 5 . 1 1 82 82 ILE HA H 82 3.815 3.815 3.863 -0.048 19654 3427 1 5 . 1 1 82 82 ILE CA C 82 63.653 63.653 64.635 -0.982 19654 3428 1 5 . 1 1 82 82 ILE CB C 82 37.879 37.879 37.362 0.517 19654 3429 1 5 . 1 1 82 82 ILE H H 82 7.789 7.789 7.924 -0.135 19654 3430 1 5 . 1 1 83 83 HIS N N 83 118.994 118.994 118.390 0.604 19654 3431 1 5 . 1 1 83 83 HIS HA H 83 4.409 4.409 4.495 -0.086 19654 3432 1 5 . 1 1 83 83 HIS CA C 83 58.245 58.245 58.086 0.159 19654 3433 1 5 . 1 1 83 83 HIS CB C 83 29.735 29.735 28.959 0.776 19654 3434 1 5 . 1 1 83 83 HIS H H 83 7.543 7.543 7.351 0.192 19654 3435 1 5 . 1 1 84 84 VAL N N 84 117.112 117.112 119.723 -2.611 19654 3436 1 5 . 1 1 84 84 VAL HA H 84 3.631 3.631 3.651 -0.020 19654 3437 1 5 . 1 1 84 84 VAL CA C 84 64.628 64.628 65.560 -0.932 19654 3438 1 5 . 1 1 84 84 VAL CB C 84 31.904 31.904 31.425 0.479 19654 3439 1 5 . 1 1 84 84 VAL H H 84 7.713 7.713 7.464 0.249 19654 3440 1 5 . 1 1 85 85 PHE N N 85 115.531 115.531 116.234 -0.703 19654 3441 1 5 . 1 1 85 85 PHE HA H 85 4.733 4.733 4.570 0.163 19654 3442 1 5 . 1 1 85 85 PHE CA C 85 57.326 57.326 57.779 -0.453 19654 3443 1 5 . 1 1 85 85 PHE CB C 85 39.507 39.507 37.998 1.509 19654 3444 1 5 . 1 1 85 85 PHE H H 85 7.743 7.743 7.516 0.227 19654 3445 1 5 . 1 1 86 86 SER N N 86 114.812 114.812 117.343 -2.531 19654 3446 1 5 . 1 1 86 86 SER HA H 86 4.275 4.275 4.149 0.126 19654 3447 1 5 . 1 1 86 86 SER CA C 86 59.832 59.832 61.599 -1.767 19654 3448 1 5 . 1 1 86 86 SER CB C 86 63.482 63.482 63.176 0.306 19654 3449 1 5 . 1 1 86 86 SER H H 86 7.634 7.634 7.916 -0.282 19654 3450 1 5 . 1 1 87 87 ASP N N 87 120.986 120.986 120.097 0.889 19654 3451 1 5 . 1 1 87 87 ASP HA H 87 4.491 4.491 4.425 0.067 19654 3452 1 5 . 1 1 87 87 ASP CA C 87 54.032 54.032 56.670 -2.638 19654 3453 1 5 . 1 1 87 87 ASP CB C 87 40.411 40.411 40.980 -0.569 19654 3454 1 5 . 1 1 87 87 ASP H H 87 8.043 8.043 8.242 -0.199 19654 3455 1 5 . 1 1 88 88 GLY N N 88 108.171 108.171 107.766 0.405 19654 3456 1 5 . 1 1 88 88 GLY CA C 88 44.981 44.981 45.629 -0.648 19654 3457 1 5 . 1 1 88 88 GLY H H 88 8.163 8.163 8.052 0.111 19654 3458 1 5 . 1 1 89 89 VAL N N 89 121.716 121.716 121.957 -0.241 19654 3459 1 5 . 1 1 89 89 VAL HA H 89 3.879 3.879 3.690 0.189 19654 3460 1 5 . 1 1 89 89 VAL CA C 89 62.471 62.471 62.681 -0.210 19654 3461 1 5 . 1 1 89 89 VAL CB C 89 32.418 32.418 31.962 0.456 19654 3462 1 5 . 1 1 89 89 VAL H H 89 7.886 7.886 7.758 0.128 19654 3463 1 5 . 1 1 90 90 THR N N 90 121.669 121.669 120.714 0.955 19654 3464 1 5 . 1 1 90 90 THR HA H 90 3.657 3.657 3.682 -0.025 19654 3465 1 5 . 1 1 90 90 THR CA C 90 62.473 62.473 62.440 0.033 19654 3466 1 5 . 1 1 90 90 THR CB C 90 68.528 68.528 66.985 1.543 19654 3467 1 5 . 1 1 90 90 THR H H 90 8.201 8.201 8.261 -0.060 19654 3468 1 5 . 1 1 91 91 ASN HA H 91 4.162 4.162 4.457 -0.295 19654 3469 1 5 . 1 1 91 91 ASN CA C 91 51.748 51.748 50.983 0.765 19654 3470 1 5 . 1 1 91 91 ASN CB C 91 39.645 39.645 39.208 0.437 19654 3471 1 5 . 1 1 91 91 ASN H H 91 8.826 8.826 7.595 1.231 19654 3472 1 5 . 1 1 92 92 TRP N N 92 118.437 118.437 124.272 -5.835 19654 3473 1 5 . 1 1 92 92 TRP HA H 92 4.739 4.739 4.383 0.356 19654 3474 1 5 . 1 1 92 92 TRP CA C 92 60.233 60.233 58.979 1.254 19654 3475 1 5 . 1 1 92 92 TRP CB C 92 30.167 30.167 28.703 1.464 19654 3476 1 5 . 1 1 92 92 TRP H H 92 8.942 8.942 8.025 0.917 19654 3477 1 5 . 1 1 93 93 GLY N N 93 108.154 108.154 109.248 -1.094 19654 3478 1 5 . 1 1 93 93 GLY CA C 93 47.544 47.544 46.960 0.584 19654 3479 1 5 . 1 1 93 93 GLY H H 93 8.697 8.697 8.543 0.154 19654 3480 1 5 . 1 1 94 94 ARG N N 94 122.547 122.547 120.692 1.855 19654 3481 1 5 . 1 1 94 94 ARG HA H 94 4.072 4.072 4.026 0.046 19654 3482 1 5 . 1 1 94 94 ARG CA C 94 58.556 58.556 59.797 -1.242 19654 3483 1 5 . 1 1 94 94 ARG CB C 94 30.201 30.201 30.095 0.106 19654 3484 1 5 . 1 1 94 94 ARG H H 94 8.353 8.353 7.796 0.557 19654 3485 1 5 . 1 1 95 95 ILE N N 95 120.130 120.130 119.585 0.545 19654 3486 1 5 . 1 1 95 95 ILE HA H 95 3.708 3.708 4.005 -0.297 19654 3487 1 5 . 1 1 95 95 ILE CA C 95 65.511 65.511 64.073 1.438 19654 3488 1 5 . 1 1 95 95 ILE CB C 95 37.486 37.486 36.995 0.491 19654 3489 1 5 . 1 1 95 95 ILE H H 95 7.545 7.545 7.396 0.149 19654 3490 1 5 . 1 1 96 96 VAL N N 96 119.403 119.403 120.587 -1.184 19654 3491 1 5 . 1 1 96 96 VAL HA H 96 3.723 3.723 3.753 -0.030 19654 3492 1 5 . 1 1 96 96 VAL CA C 96 67.249 67.249 67.568 -0.319 19654 3493 1 5 . 1 1 96 96 VAL CB C 96 31.001 31.001 31.363 -0.362 19654 3494 1 5 . 1 1 96 96 VAL H H 96 8.990 8.990 8.120 0.870 19654 3495 1 5 . 1 1 97 97 THR N N 97 122.016 122.016 117.396 4.620 19654 3496 1 5 . 1 1 97 97 THR HA H 97 3.784 3.784 4.010 -0.226 19654 3497 1 5 . 1 1 97 97 THR CA C 97 68.159 68.159 66.615 1.544 19654 3498 1 5 . 1 1 97 97 THR CB C 97 67.212 67.212 68.668 -1.456 19654 3499 1 5 . 1 1 97 97 THR H H 97 8.605 8.605 8.156 0.449 19654 3500 1 5 . 1 1 98 98 LEU N N 98 122.476 122.476 123.606 -1.130 19654 3501 1 5 . 1 1 98 98 LEU HA H 98 3.805 3.805 4.074 -0.269 19654 3502 1 5 . 1 1 98 98 LEU CA C 98 58.818 58.818 58.189 0.629 19654 3503 1 5 . 1 1 98 98 LEU CB C 98 41.158 41.158 41.855 -0.697 19654 3504 1 5 . 1 1 98 98 LEU H H 98 7.769 7.769 8.174 -0.405 19654 3505 1 5 . 1 1 99 99 ILE N N 99 117.997 117.997 117.823 0.174 19654 3506 1 5 . 1 1 99 99 ILE HA H 99 3.509 3.509 3.735 -0.226 19654 3507 1 5 . 1 1 99 99 ILE CA C 99 66.261 66.261 65.563 0.698 19654 3508 1 5 . 1 1 99 99 ILE CB C 99 38.350 38.350 37.627 0.723 19654 3509 1 5 . 1 1 99 99 ILE H H 99 8.175 8.175 8.109 0.066 19654 3510 1 5 . 1 1 100 100 SER N N 100 116.934 116.934 117.520 -0.586 19654 3511 1 5 . 1 1 100 100 SER HA H 100 4.447 4.447 4.512 -0.065 19654 3512 1 5 . 1 1 100 100 SER CA C 100 63.290 63.290 62.289 1.001 19654 3513 1 5 . 1 1 100 100 SER CB C 100 62.867 62.867 63.148 -0.281 19654 3514 1 5 . 1 1 100 100 SER H H 100 8.989 8.989 8.764 0.225 19654 3515 1 5 . 1 1 101 101 PHE N N 101 124.640 124.640 124.427 0.213 19654 3516 1 5 . 1 1 101 101 PHE HA H 101 3.420 3.420 3.832 -0.412 19654 3517 1 5 . 1 1 101 101 PHE CA C 101 60.499 60.499 59.570 0.929 19654 3518 1 5 . 1 1 101 101 PHE CB C 101 37.333 37.333 38.190 -0.857 19654 3519 1 5 . 1 1 101 101 PHE H H 101 8.513 8.513 8.127 0.386 19654 3520 1 5 . 1 1 102 102 GLY N N 102 106.116 106.116 106.785 -0.669 19654 3521 1 5 . 1 1 102 102 GLY CA C 102 48.166 48.166 46.967 1.199 19654 3522 1 5 . 1 1 102 102 GLY H H 102 8.111 8.111 8.101 0.010 19654 3523 1 5 . 1 1 103 103 ALA N N 103 124.560 124.560 124.712 -0.152 19654 3524 1 5 . 1 1 103 103 ALA HA H 103 3.780 3.780 3.877 -0.096 19654 3525 1 5 . 1 1 103 103 ALA CA C 103 55.646 55.646 54.629 1.017 19654 3526 1 5 . 1 1 103 103 ALA CB C 103 18.476 18.476 18.321 0.155 19654 3527 1 5 . 1 1 103 103 ALA H H 103 8.437 8.437 7.966 0.471 19654 3528 1 5 . 1 1 104 104 PHE N N 104 120.981 120.981 119.973 1.008 19654 3529 1 5 . 1 1 104 104 PHE HA H 104 3.989 3.989 4.181 -0.192 19654 3530 1 5 . 1 1 104 104 PHE CA C 104 62.258 62.258 61.715 0.543 19654 3531 1 5 . 1 1 104 104 PHE CB C 104 39.949 39.949 39.544 0.405 19654 3532 1 5 . 1 1 104 104 PHE H H 104 8.213 8.213 8.176 0.037 19654 3533 1 5 . 1 1 105 105 VAL N N 105 120.473 120.473 119.122 1.351 19654 3534 1 5 . 1 1 105 105 VAL HA H 105 3.236 3.236 3.540 -0.304 19654 3535 1 5 . 1 1 105 105 VAL CA C 105 66.348 66.348 66.302 0.046 19654 3536 1 5 . 1 1 105 105 VAL CB C 105 30.720 30.720 31.056 -0.336 19654 3537 1 5 . 1 1 105 105 VAL H H 105 8.513 8.513 8.019 0.494 19654 3538 1 5 . 1 1 106 106 ALA N N 106 123.948 123.948 123.625 0.323 19654 3539 1 5 . 1 1 106 106 ALA HA H 106 3.660 3.660 3.824 -0.164 19654 3540 1 5 . 1 1 106 106 ALA CA C 106 55.607 55.607 55.656 -0.049 19654 3541 1 5 . 1 1 106 106 ALA CB C 106 18.003 18.003 18.196 -0.193 19654 3542 1 5 . 1 1 106 106 ALA H H 106 8.807 8.807 8.178 0.629 19654 3543 1 5 . 1 1 107 107 LYS N N 107 115.836 115.836 117.359 -1.523 19654 3544 1 5 . 1 1 107 107 LYS HA H 107 3.733 3.733 3.843 -0.110 19654 3545 1 5 . 1 1 107 107 LYS CA C 107 60.462 60.462 59.381 1.081 19654 3546 1 5 . 1 1 107 107 LYS CB C 107 31.907 31.907 31.787 0.120 19654 3547 1 5 . 1 1 107 107 LYS H H 107 7.934 7.934 7.945 -0.011 19654 3548 1 5 . 1 1 108 108 HIS N N 108 120.459 120.459 120.195 0.264 19654 3549 1 5 . 1 1 108 108 HIS HA H 108 4.212 4.212 4.322 -0.110 19654 3550 1 5 . 1 1 108 108 HIS CA C 108 59.623 59.623 59.317 0.306 19654 3551 1 5 . 1 1 108 108 HIS CB C 108 29.838 29.838 29.712 0.126 19654 3552 1 5 . 1 1 108 108 HIS H H 108 7.254 7.254 7.378 -0.124 19654 3553 1 5 . 1 1 109 109 LEU N N 109 118.336 118.336 120.769 -2.433 19654 3554 1 5 . 1 1 109 109 LEU HA H 109 3.640 3.640 3.776 -0.136 19654 3555 1 5 . 1 1 109 109 LEU CA C 109 56.945 56.945 58.085 -1.140 19654 3556 1 5 . 1 1 109 109 LEU CB C 109 39.709 39.709 41.652 -1.943 19654 3557 1 5 . 1 1 109 109 LEU H H 109 8.709 8.709 8.512 0.197 19654 3558 1 5 . 1 1 110 110 LYS N N 110 118.036 118.036 118.685 -0.649 19654 3559 1 5 . 1 1 110 110 LYS HA H 110 3.944 3.944 3.928 0.016 19654 3560 1 5 . 1 1 110 110 LYS CA C 110 58.967 58.967 59.551 -0.584 19654 3561 1 5 . 1 1 110 110 LYS CB C 110 32.220 32.220 32.208 0.012 19654 3562 1 5 . 1 1 110 110 LYS H H 110 7.752 7.752 8.018 -0.266 19654 3563 1 5 . 1 1 111 111 THR N N 111 115.985 115.985 116.437 -0.452 19654 3564 1 5 . 1 1 111 111 THR HA H 111 3.990 3.990 4.011 -0.021 19654 3565 1 5 . 1 1 111 111 THR CA C 111 65.921 65.921 66.005 -0.085 19654 3566 1 5 . 1 1 111 111 THR CB C 111 68.611 68.611 68.800 -0.189 19654 3567 1 5 . 1 1 111 111 THR H H 111 7.832 7.832 7.622 0.210 19654 3568 1 5 . 1 1 112 112 ILE N N 112 112.606 112.606 114.370 -1.764 19654 3569 1 5 . 1 1 112 112 ILE HA H 112 4.454 4.454 4.307 0.147 19654 3570 1 5 . 1 1 112 112 ILE CA C 112 60.922 60.922 60.842 0.080 19654 3571 1 5 . 1 1 112 112 ILE CB C 112 36.813 36.813 37.295 -0.482 19654 3572 1 5 . 1 1 112 112 ILE H H 112 7.262 7.262 7.360 -0.098 19654 3573 1 5 . 1 1 113 113 ASN N N 113 116.297 116.297 115.593 0.704 19654 3574 1 5 . 1 1 113 113 ASN HA H 113 4.576 4.576 4.393 0.183 19654 3575 1 5 . 1 1 113 113 ASN CA C 113 54.653 54.653 54.946 -0.293 19654 3576 1 5 . 1 1 113 113 ASN CB C 113 36.497 36.497 37.293 -0.796 19654 3577 1 5 . 1 1 113 113 ASN H H 113 7.816 7.816 7.704 0.112 19654 3578 1 5 . 1 1 114 114 GLN N N 114 117.958 117.958 116.946 1.012 19654 3579 1 5 . 1 1 114 114 GLN HA H 114 4.739 4.739 4.461 0.278 19654 3580 1 5 . 1 1 114 114 GLN CA C 114 54.079 54.079 54.813 -0.734 19654 3581 1 5 . 1 1 114 114 GLN CB C 114 28.840 28.840 27.394 1.446 19654 3582 1 5 . 1 1 114 114 GLN H H 114 8.522 8.522 8.189 0.333 19654 3583 1 5 . 1 1 115 115 GLU N N 115 120.597 120.597 121.475 -0.878 19654 3584 1 5 . 1 1 115 115 GLU HA H 115 3.646 3.646 3.922 -0.276 19654 3585 1 5 . 1 1 115 115 GLU CA C 115 59.569 59.569 60.078 -0.509 19654 3586 1 5 . 1 1 115 115 GLU CB C 115 29.061 29.061 29.364 -0.303 19654 3587 1 5 . 1 1 115 115 GLU H H 115 8.881 8.881 7.649 1.232 19654 3588 1 5 . 1 1 116 116 SER N N 116 115.352 115.352 113.511 1.841 19654 3589 1 5 . 1 1 116 116 SER HA H 116 4.250 4.250 4.234 0.016 19654 3590 1 5 . 1 1 116 116 SER CA C 116 60.593 60.593 61.347 -0.754 19654 3591 1 5 . 1 1 116 116 SER CB C 116 62.231 62.231 62.486 -0.255 19654 3592 1 5 . 1 1 116 116 SER H H 116 8.702 8.702 8.616 0.086 19654 3593 1 5 . 1 1 117 117 SER N N 117 116.944 116.944 119.288 -2.344 19654 3594 1 5 . 1 1 117 117 SER HA H 117 4.461 4.461 4.193 0.268 19654 3595 1 5 . 1 1 117 117 SER CA C 117 60.219 60.219 60.828 -0.609 19654 3596 1 5 . 1 1 117 117 SER CB C 117 64.116 64.116 62.823 1.293 19654 3597 1 5 . 1 1 117 117 SER H H 117 7.963 7.963 7.745 0.218 19654 3598 1 5 . 1 1 118 118 ILE N N 118 122.505 122.505 121.818 0.687 19654 3599 1 5 . 1 1 118 118 ILE HA H 118 3.419 3.419 3.553 -0.134 19654 3600 1 5 . 1 1 118 118 ILE CA C 118 66.227 66.227 65.150 1.077 19654 3601 1 5 . 1 1 118 118 ILE CB C 118 36.723 36.723 37.529 -0.806 19654 3602 1 5 . 1 1 118 118 ILE H H 118 7.945 7.945 7.486 0.459 19654 3603 1 5 . 1 1 119 119 GLU N N 119 119.604 119.604 119.899 -0.295 19654 3604 1 5 . 1 1 119 119 GLU HA H 119 4.244 4.244 4.138 0.106 19654 3605 1 5 . 1 1 119 119 GLU CA C 119 61.540 61.540 61.347 0.193 19654 3606 1 5 . 1 1 119 119 GLU CB C 119 26.092 26.092 27.707 -1.615 19654 3607 1 5 . 1 1 119 119 GLU H H 119 8.244 8.244 7.886 0.358 19654 3608 1 5 . 1 1 120 120 PRO HA H 120 4.446 4.446 4.259 0.187 19654 3609 1 5 . 1 1 120 120 PRO CA C 120 65.583 65.583 65.532 0.051 19654 3610 1 5 . 1 1 120 120 PRO CB C 120 30.167 30.167 31.448 -1.281 19654 3611 1 5 . 1 1 121 121 LEU N N 121 120.974 120.974 120.115 0.859 19654 3612 1 5 . 1 1 121 121 LEU HA H 121 3.990 3.990 4.006 -0.016 19654 3613 1 5 . 1 1 121 121 LEU CA C 121 58.436 58.436 57.757 0.679 19654 3614 1 5 . 1 1 121 121 LEU CB C 121 40.988 40.988 41.630 -0.642 19654 3615 1 5 . 1 1 121 121 LEU H H 121 7.587 7.587 7.882 -0.295 19654 3616 1 5 . 1 1 122 122 ALA N N 122 121.982 121.982 121.115 0.867 19654 3617 1 5 . 1 1 122 122 ALA HA H 122 3.743 3.743 3.876 -0.133 19654 3618 1 5 . 1 1 122 122 ALA CA C 122 55.233 55.233 55.266 -0.033 19654 3619 1 5 . 1 1 122 122 ALA CB C 122 17.687 17.687 17.983 -0.296 19654 3620 1 5 . 1 1 122 122 ALA H H 122 8.593 8.593 8.178 0.415 19654 3621 1 5 . 1 1 123 123 GLU N N 123 120.516 120.516 117.874 2.642 19654 3622 1 5 . 1 1 123 123 GLU HA H 123 3.862 3.862 4.015 -0.153 19654 3623 1 5 . 1 1 123 123 GLU CA C 123 59.995 59.995 59.093 0.902 19654 3624 1 5 . 1 1 123 123 GLU CB C 123 29.298 29.298 29.535 -0.237 19654 3625 1 5 . 1 1 123 123 GLU H H 123 8.568 8.568 8.378 0.190 19654 3626 1 5 . 1 1 124 124 SER N N 124 116.054 116.054 116.373 -0.319 19654 3627 1 5 . 1 1 124 124 SER HA H 124 4.367 4.367 4.276 0.091 19654 3628 1 5 . 1 1 124 124 SER CA C 124 62.240 62.240 62.320 -0.080 19654 3629 1 5 . 1 1 124 124 SER CB C 124 63.074 63.074 62.843 0.231 19654 3630 1 5 . 1 1 124 124 SER H H 124 8.282 8.282 7.999 0.283 19654 3631 1 5 . 1 1 125 125 ILE N N 125 120.575 120.575 122.204 -1.629 19654 3632 1 5 . 1 1 125 125 ILE HA H 125 3.627 3.627 3.784 -0.157 19654 3633 1 5 . 1 1 125 125 ILE CA C 125 64.655 64.655 64.481 0.174 19654 3634 1 5 . 1 1 125 125 ILE CB C 125 37.413 37.413 36.980 0.433 19654 3635 1 5 . 1 1 125 125 ILE H H 125 8.343 8.343 8.474 -0.131 19654 3636 1 5 . 1 1 126 126 THR N N 126 116.459 116.459 115.765 0.694 19654 3637 1 5 . 1 1 126 126 THR HA H 126 3.482 3.482 4.011 -0.529 19654 3638 1 5 . 1 1 126 126 THR CA C 126 68.679 68.679 67.468 1.211 19654 3639 1 5 . 1 1 126 126 THR CB C 126 67.075 67.075 68.091 -1.016 19654 3640 1 5 . 1 1 126 126 THR H H 126 8.056 8.056 8.119 -0.063 19654 3641 1 5 . 1 1 127 127 ASP N N 127 120.236 120.236 122.243 -2.007 19654 3642 1 5 . 1 1 127 127 ASP HA H 127 4.481 4.481 4.560 -0.079 19654 3643 1 5 . 1 1 127 127 ASP CA C 127 58.322 58.322 57.683 0.639 19654 3644 1 5 . 1 1 127 127 ASP CB C 127 41.822 41.822 40.948 0.874 19654 3645 1 5 . 1 1 127 127 ASP H H 127 8.813 8.813 8.150 0.663 19654 3646 1 5 . 1 1 128 128 VAL N N 128 116.904 116.904 119.623 -2.719 19654 3647 1 5 . 1 1 128 128 VAL HA H 128 3.677 3.677 3.662 0.015 19654 3648 1 5 . 1 1 128 128 VAL CA C 128 66.346 66.346 66.599 -0.253 19654 3649 1 5 . 1 1 128 128 VAL CB C 128 31.351 31.351 31.956 -0.605 19654 3650 1 5 . 1 1 128 128 VAL H H 128 7.949 7.949 7.899 0.050 19654 3651 1 5 . 1 1 129 129 LEU N N 129 121.043 121.043 121.337 -0.294 19654 3652 1 5 . 1 1 129 129 LEU HA H 129 3.819 3.819 3.924 -0.105 19654 3653 1 5 . 1 1 129 129 LEU CA C 129 58.742 58.742 58.359 0.383 19654 3654 1 5 . 1 1 129 129 LEU CB C 129 42.370 42.370 41.827 0.543 19654 3655 1 5 . 1 1 129 129 LEU H H 129 8.198 8.198 7.988 0.210 19654 3656 1 5 . 1 1 130 130 VAL N N 130 114.370 114.370 117.469 -3.099 19654 3657 1 5 . 1 1 130 130 VAL HA H 130 3.525 3.525 3.750 -0.225 19654 3658 1 5 . 1 1 130 130 VAL CA C 130 66.004 66.004 65.643 0.361 19654 3659 1 5 . 1 1 130 130 VAL CB C 130 31.320 31.320 31.006 0.314 19654 3660 1 5 . 1 1 130 130 VAL H H 130 8.858 8.858 8.496 0.362 19654 3661 1 5 . 1 1 131 131 ARG N N 131 115.890 115.890 120.356 -4.466 19654 3662 1 5 . 1 1 131 131 ARG HA H 131 4.284 4.284 4.063 0.221 19654 3663 1 5 . 1 1 131 131 ARG CA C 131 59.255 59.255 58.878 0.377 19654 3664 1 5 . 1 1 131 131 ARG CB C 131 30.009 30.009 29.973 0.036 19654 3665 1 5 . 1 1 131 131 ARG H H 131 8.619 8.619 8.168 0.451 19654 3666 1 5 . 1 1 132 132 THR N N 132 106.654 106.654 109.594 -2.940 19654 3667 1 5 . 1 1 132 132 THR HA H 132 4.464 4.464 4.376 0.088 19654 3668 1 5 . 1 1 132 132 THR CA C 132 64.081 64.081 62.684 1.397 19654 3669 1 5 . 1 1 132 132 THR CB C 132 69.870 69.870 69.290 0.580 19654 3670 1 5 . 1 1 132 132 THR H H 132 7.530 7.530 7.785 -0.255 19654 3671 1 5 . 1 1 133 133 LYS N N 133 117.426 117.426 118.708 -1.282 19654 3672 1 5 . 1 1 133 133 LYS HA H 133 5.029 5.029 4.782 0.247 19654 3673 1 5 . 1 1 133 133 LYS CA C 133 53.009 53.009 54.643 -1.634 19654 3674 1 5 . 1 1 133 133 LYS CB C 133 31.044 31.044 32.819 -1.775 19654 3675 1 5 . 1 1 133 133 LYS H H 133 7.691 7.691 7.686 0.005 19654 3676 1 5 . 1 1 134 134 ARG N N 134 120.904 120.904 121.713 -0.809 19654 3677 1 5 . 1 1 134 134 ARG HA H 134 3.679 3.679 3.906 -0.227 19654 3678 1 5 . 1 1 134 134 ARG CA C 134 61.456 61.456 60.522 0.935 19654 3679 1 5 . 1 1 134 134 ARG CB C 134 30.261 30.261 29.874 0.387 19654 3680 1 5 . 1 1 134 134 ARG H H 134 7.341 7.341 7.537 -0.196 19654 3681 1 5 . 1 1 135 135 ASP N N 135 114.262 114.262 118.251 -3.989 19654 3682 1 5 . 1 1 135 135 ASP HA H 135 4.238 4.238 4.314 -0.076 19654 3683 1 5 . 1 1 135 135 ASP CA C 135 57.595 57.595 57.663 -0.069 19654 3684 1 5 . 1 1 135 135 ASP CB C 135 39.961 39.961 39.857 0.104 19654 3685 1 5 . 1 1 135 135 ASP H H 135 8.386 8.386 8.853 -0.467 19654 3686 1 5 . 1 1 136 136 TRP N N 136 121.564 121.564 119.256 2.308 19654 3687 1 5 . 1 1 136 136 TRP HA H 136 3.858 3.858 4.392 -0.534 19654 3688 1 5 . 1 1 136 136 TRP CA C 136 62.373 62.373 59.729 2.644 19654 3689 1 5 . 1 1 136 136 TRP CB C 136 28.807 28.807 29.452 -0.645 19654 3690 1 5 . 1 1 136 136 TRP H H 136 7.844 7.844 7.789 0.055 19654 3691 1 5 . 1 1 137 137 LEU N N 137 117.395 117.395 119.776 -2.381 19654 3692 1 5 . 1 1 137 137 LEU HA H 137 3.461 3.461 3.863 -0.402 19654 3693 1 5 . 1 1 137 137 LEU CA C 137 58.325 58.325 58.233 0.092 19654 3694 1 5 . 1 1 137 137 LEU CB C 137 42.979 42.979 41.521 1.458 19654 3695 1 5 . 1 1 137 137 LEU H H 137 8.623 8.623 8.417 0.206 19654 3696 1 5 . 1 1 138 138 VAL N N 138 118.341 118.341 117.943 0.398 19654 3697 1 5 . 1 1 138 138 VAL HA H 138 3.586 3.586 3.830 -0.244 19654 3698 1 5 . 1 1 138 138 VAL CA C 138 66.501 66.501 65.259 1.242 19654 3699 1 5 . 1 1 138 138 VAL CB C 138 31.588 31.588 32.027 -0.439 19654 3700 1 5 . 1 1 138 138 VAL H H 138 8.631 8.631 7.777 0.854 19654 3701 1 5 . 1 1 139 139 LYS N N 139 122.096 122.096 120.402 1.694 19654 3702 1 5 . 1 1 139 139 LYS HA H 139 3.941 3.941 4.108 -0.167 19654 3703 1 5 . 1 1 139 139 LYS CA C 139 58.925 58.925 58.378 0.547 19654 3704 1 5 . 1 1 139 139 LYS CB C 139 31.752 31.752 32.456 -0.704 19654 3705 1 5 . 1 1 139 139 LYS H H 139 7.695 7.695 8.074 -0.379 19654 3706 1 5 . 1 1 140 140 GLN N N 140 115.416 115.416 116.209 -0.793 19654 3707 1 5 . 1 1 140 140 GLN HA H 140 3.970 3.970 4.493 -0.523 19654 3708 1 5 . 1 1 140 140 GLN CA C 140 54.309 54.309 54.797 -0.488 19654 3709 1 5 . 1 1 140 140 GLN CB C 140 27.174 27.174 29.659 -2.485 19654 3710 1 5 . 1 1 140 140 GLN H H 140 7.344 7.344 8.216 -0.872 19654 3711 1 5 . 1 1 141 141 ARG N N 141 110.160 110.160 116.110 -5.950 19654 3712 1 5 . 1 1 141 141 ARG HA H 141 3.899 3.899 4.068 -0.169 19654 3713 1 5 . 1 1 141 141 ARG CA C 141 57.400 57.400 56.399 1.001 19654 3714 1 5 . 1 1 141 141 ARG CB C 141 25.640 25.640 27.425 -1.785 19654 3715 1 5 . 1 1 141 141 ARG H H 141 7.677 7.677 7.931 -0.254 19654 3716 1 5 . 1 1 142 142 GLY N N 142 107.741 107.741 108.454 -0.713 19654 3717 1 5 . 1 1 142 142 GLY CA C 142 45.633 45.633 46.846 -1.212 19654 3718 1 5 . 1 1 142 142 GLY H H 142 8.931 8.931 8.706 0.225 19654 3719 1 5 . 1 1 143 143 TRP N N 143 123.871 123.871 120.475 3.396 19654 3720 1 5 . 1 1 143 143 TRP HA H 143 4.273 4.273 4.388 -0.115 19654 3721 1 5 . 1 1 143 143 TRP CA C 143 59.317 59.317 58.285 1.032 19654 3722 1 5 . 1 1 143 143 TRP CB C 143 28.435 28.435 29.382 -0.947 19654 3723 1 5 . 1 1 143 143 TRP H H 143 9.004 9.004 7.733 1.271 19654 3724 1 5 . 1 1 144 144 ASP N N 144 119.481 119.481 120.530 -1.049 19654 3725 1 5 . 1 1 144 144 ASP HA H 144 4.553 4.553 4.465 0.088 19654 3726 1 5 . 1 1 144 144 ASP CA C 144 57.825 57.825 58.027 -0.202 19654 3727 1 5 . 1 1 144 144 ASP CB C 144 40.435 40.435 40.659 -0.224 19654 3728 1 5 . 1 1 144 144 ASP H H 144 8.071 8.071 7.859 0.212 19654 3729 1 5 . 1 1 145 145 GLY N N 145 109.653 109.653 108.087 1.566 19654 3730 1 5 . 1 1 145 145 GLY CA C 145 46.856 46.856 46.946 -0.090 19654 3731 1 5 . 1 1 145 145 GLY H H 145 7.493 7.493 8.593 -1.100 19654 3732 1 5 . 1 1 146 146 PHE N N 146 124.053 124.053 121.869 2.184 19654 3733 1 5 . 1 1 146 146 PHE HA H 146 2.455 2.455 3.780 -1.325 19654 3734 1 5 . 1 1 146 146 PHE CA C 146 60.349 60.349 61.341 -0.992 19654 3735 1 5 . 1 1 146 146 PHE CB C 146 38.607 38.607 39.292 -0.685 19654 3736 1 5 . 1 1 146 146 PHE H H 146 7.257 7.257 8.004 -0.747 19654 3737 1 5 . 1 1 147 147 VAL N N 147 116.525 116.525 117.865 -1.340 19654 3738 1 5 . 1 1 147 147 VAL HA H 147 3.298 3.298 3.750 -0.452 19654 3739 1 5 . 1 1 147 147 VAL CA C 147 66.080 66.080 65.847 0.233 19654 3740 1 5 . 1 1 147 147 VAL CB C 147 31.904 31.904 31.335 0.568 19654 3741 1 5 . 1 1 147 147 VAL H H 147 7.700 7.700 7.602 0.098 19654 3742 1 5 . 1 1 148 148 GLU N N 148 118.404 118.404 119.659 -1.255 19654 3743 1 5 . 1 1 148 148 GLU HA H 148 3.985 3.985 4.017 -0.032 19654 3744 1 5 . 1 1 148 148 GLU CA C 148 58.933 58.933 58.791 0.142 19654 3745 1 5 . 1 1 148 148 GLU CB C 148 29.535 29.535 28.884 0.651 19654 3746 1 5 . 1 1 148 148 GLU H H 148 7.801 7.801 7.796 0.005 19654 3747 1 5 . 1 1 149 149 PHE N N 149 120.305 120.305 122.273 -1.968 19654 3748 1 5 . 1 1 149 149 PHE HA H 149 3.970 3.970 3.835 0.135 19654 3749 1 5 . 1 1 149 149 PHE CA C 149 61.341 61.341 60.712 0.629 19654 3750 1 5 . 1 1 149 149 PHE CB C 149 39.011 39.011 39.311 -0.300 19654 3751 1 5 . 1 1 149 149 PHE H H 149 8.358 8.358 8.049 0.309 19654 3752 1 5 . 1 1 150 150 PHE N N 150 112.582 112.582 113.740 -1.158 19654 3753 1 5 . 1 1 150 150 PHE HA H 150 4.255 4.255 4.181 0.074 19654 3754 1 5 . 1 1 150 150 PHE CA C 150 59.075 59.075 59.297 -0.222 19654 3755 1 5 . 1 1 150 150 PHE CB C 150 39.487 39.487 39.252 0.235 19654 3756 1 5 . 1 1 150 150 PHE H H 150 6.927 6.927 7.480 -0.553 19654 3757 1 5 . 1 1 151 151 HIS N N 151 118.966 118.966 118.699 0.267 19654 3758 1 5 . 1 1 151 151 HIS HA H 151 4.370 4.370 4.152 0.218 19654 3759 1 5 . 1 1 151 151 HIS CA C 151 56.788 56.788 55.954 0.834 19654 3760 1 5 . 1 1 151 151 HIS CB C 151 28.827 28.827 28.123 0.704 19654 3761 1 5 . 1 1 151 151 HIS H H 151 7.483 7.483 7.684 -0.201 19654 3762 1 5 . 1 1 152 152 VAL N N 152 120.499 120.499 123.083 -2.584 19654 3763 1 5 . 1 1 152 152 VAL HA H 152 3.950 3.950 4.208 -0.258 19654 3764 1 5 . 1 1 152 152 VAL CA C 152 62.110 62.110 64.256 -2.146 19654 3765 1 5 . 1 1 152 152 VAL CB C 152 32.593 32.593 33.341 -0.748 19654 3766 1 5 . 1 1 152 152 VAL H H 152 8.103 8.103 8.262 -0.159 19654 3767 1 5 . 1 1 153 153 GLU N N 153 123.580 123.580 120.389 3.191 19654 3768 1 5 . 1 1 153 153 GLU HA H 153 4.162 4.162 4.577 -0.415 19654 3769 1 5 . 1 1 153 153 GLU CA C 153 56.433 56.433 55.468 0.965 19654 3770 1 5 . 1 1 153 153 GLU CB C 153 30.101 30.101 30.032 0.069 19654 3771 1 5 . 1 1 153 153 GLU H H 153 8.446 8.446 8.510 -0.064 19654 3772 1 5 . 1 1 154 154 ASP N N 154 120.964 120.964 121.547 -0.583 19654 3773 1 5 . 1 1 154 154 ASP HA H 154 4.565 4.565 4.839 -0.274 19654 3774 1 5 . 1 1 154 154 ASP CA C 154 54.106 54.106 53.018 1.088 19654 3775 1 5 . 1 1 154 154 ASP CB C 154 40.836 40.836 42.088 -1.252 19654 3776 1 5 . 1 1 154 154 ASP H H 154 8.325 8.325 8.478 -0.153 19654 3777 1 5 . 1 1 155 155 LEU N N 155 122.311 122.311 113.065 9.246 19654 3778 1 5 . 1 1 155 155 LEU HA H 155 4.230 4.230 4.867 -0.637 19654 3779 1 5 . 1 1 155 155 LEU CA C 155 55.340 55.340 54.788 0.552 19654 3780 1 5 . 1 1 155 155 LEU CB C 155 42.094 42.094 40.774 1.320 19654 3781 1 5 . 1 1 155 155 LEU H H 155 8.210 8.210 8.413 -0.203 19654 3782 1 5 . 1 1 156 156 GLU N N 156 120.023 120.023 121.378 -1.355 19654 3783 1 5 . 1 1 156 156 GLU HA H 156 4.218 4.218 4.596 -0.378 19654 3784 1 5 . 1 1 156 156 GLU CA C 156 56.831 56.831 56.709 0.122 19654 3785 1 5 . 1 1 156 156 GLU CB C 156 29.930 29.930 31.703 -1.773 19654 3786 1 5 . 1 1 156 156 GLU H H 156 8.396 8.396 8.900 -0.504 19654 3787 1 5 . 1 1 157 157 GLY N N 157 109.371 109.371 106.865 2.506 19654 3788 1 5 . 1 1 157 157 GLY CA C 157 45.327 45.327 44.969 0.357 19654 3789 1 5 . 1 1 157 157 GLY H H 157 8.323 8.323 8.316 0.007 19654 3790 1 5 . 1 1 158 158 GLY N N 158 108.074 108.074 107.975 0.099 19654 3791 1 5 . 1 1 158 158 GLY CA C 158 45.061 45.061 44.359 0.702 19654 3792 1 5 . 1 1 158 158 GLY H H 158 8.226 8.226 8.149 0.077 19654 3793 1 5 . 1 1 159 159 HIS N N 159 117.875 117.875 120.096 -2.221 19654 3794 1 5 . 1 1 159 159 HIS HA H 159 4.551 4.551 4.444 0.107 19654 3795 1 5 . 1 1 159 159 HIS CA C 159 55.600 55.600 55.656 -0.056 19654 3796 1 5 . 1 1 159 159 HIS CB C 159 29.800 29.800 31.182 -1.382 19654 3797 1 5 . 1 1 159 159 HIS H H 159 8.210 8.210 8.099 0.111 19654 3798 1 5 . 1 1 161 161 HIS N N 161 125.094 125.094 115.229 9.865 19654 3799 1 5 . 1 1 161 161 HIS HA H 161 4.585 4.585 4.572 0.013 19654 3800 1 5 . 1 1 161 161 HIS H H 161 8.162 8.162 7.866 0.296 19654 3801 1 6 . 1 1 2 2 GLU HA H 2 4.333 4.333 4.291 0.042 19654 3802 1 6 . 1 1 2 2 GLU CA C 2 56.183 56.183 56.074 0.109 19654 3803 1 6 . 1 1 2 2 GLU CB C 2 30.150 30.150 30.109 0.041 19654 3804 1 6 . 1 1 3 3 ASP N N 3 122.553 122.553 121.480 1.073 19654 3805 1 6 . 1 1 3 3 ASP HA H 3 4.729 4.729 4.686 0.043 19654 3806 1 6 . 1 1 3 3 ASP CA C 3 53.659 53.659 53.642 0.017 19654 3807 1 6 . 1 1 3 3 ASP CB C 3 41.319 41.319 43.196 -1.877 19654 3808 1 6 . 1 1 3 3 ASP H H 3 8.437 8.437 8.399 0.038 19654 3809 1 6 . 1 1 4 4 GLU N N 4 125.121 125.121 124.332 0.789 19654 3810 1 6 . 1 1 4 4 GLU HA H 4 4.235 4.235 4.077 0.158 19654 3811 1 6 . 1 1 4 4 GLU CA C 4 58.915 58.915 59.410 -0.494 19654 3812 1 6 . 1 1 4 4 GLU CB C 4 29.274 29.274 29.812 -0.538 19654 3813 1 6 . 1 1 4 4 GLU H H 4 8.726 8.726 8.797 -0.071 19654 3814 1 6 . 1 1 5 5 LEU N N 5 120.976 120.976 120.100 0.876 19654 3815 1 6 . 1 1 5 5 LEU HA H 5 4.517 4.517 4.090 0.427 19654 3816 1 6 . 1 1 5 5 LEU CA C 5 57.939 57.939 58.640 -0.701 19654 3817 1 6 . 1 1 5 5 LEU CB C 5 40.917 40.917 41.690 -0.772 19654 3818 1 6 . 1 1 5 5 LEU H H 5 8.381 8.381 8.584 -0.203 19654 3819 1 6 . 1 1 6 6 TYR N N 6 123.977 123.977 118.870 5.107 19654 3820 1 6 . 1 1 6 6 TYR HA H 6 3.865 3.865 4.337 -0.472 19654 3821 1 6 . 1 1 6 6 TYR CA C 6 62.721 62.721 61.190 1.531 19654 3822 1 6 . 1 1 6 6 TYR CB C 6 38.475 38.475 38.247 0.228 19654 3823 1 6 . 1 1 6 6 TYR H H 6 8.342 8.342 7.942 0.400 19654 3824 1 6 . 1 1 7 7 ARG N N 7 118.301 118.301 119.070 -0.769 19654 3825 1 6 . 1 1 7 7 ARG HA H 7 3.828 3.828 3.942 -0.114 19654 3826 1 6 . 1 1 7 7 ARG CA C 7 59.619 59.619 58.892 0.727 19654 3827 1 6 . 1 1 7 7 ARG CB C 7 29.720 29.720 29.591 0.129 19654 3828 1 6 . 1 1 7 7 ARG H H 7 8.452 8.452 8.561 -0.109 19654 3829 1 6 . 1 1 8 8 GLN N N 8 119.421 119.421 118.884 0.537 19654 3830 1 6 . 1 1 8 8 GLN HA H 8 3.944 3.944 4.076 -0.132 19654 3831 1 6 . 1 1 8 8 GLN CA C 8 58.827 58.827 59.179 -0.352 19654 3832 1 6 . 1 1 8 8 GLN CB C 8 28.918 28.918 28.863 0.055 19654 3833 1 6 . 1 1 8 8 GLN H H 8 8.894 8.894 8.431 0.463 19654 3834 1 6 . 1 1 9 9 SER N N 9 113.384 113.384 116.973 -3.589 19654 3835 1 6 . 1 1 9 9 SER HA H 9 4.007 4.007 3.952 0.055 19654 3836 1 6 . 1 1 9 9 SER CA C 9 62.117 62.117 61.761 0.356 19654 3837 1 6 . 1 1 9 9 SER CB C 9 63.544 63.544 63.294 0.250 19654 3838 1 6 . 1 1 9 9 SER H H 9 8.018 8.018 8.412 -0.394 19654 3839 1 6 . 1 1 10 10 LEU N N 10 121.112 121.112 123.752 -2.640 19654 3840 1 6 . 1 1 10 10 LEU HA H 10 4.130 4.130 4.038 0.092 19654 3841 1 6 . 1 1 10 10 LEU CA C 10 57.022 57.022 57.529 -0.507 19654 3842 1 6 . 1 1 10 10 LEU CB C 10 41.146 41.146 41.289 -0.143 19654 3843 1 6 . 1 1 10 10 LEU H H 10 8.599 8.599 8.317 0.282 19654 3844 1 6 . 1 1 11 11 GLU N N 11 120.653 120.653 119.666 0.987 19654 3845 1 6 . 1 1 11 11 GLU HA H 11 3.914 3.914 3.928 -0.014 19654 3846 1 6 . 1 1 11 11 GLU CA C 11 59.627 59.627 59.255 0.372 19654 3847 1 6 . 1 1 11 11 GLU CB C 11 29.298 29.298 29.131 0.167 19654 3848 1 6 . 1 1 11 11 GLU H H 11 7.806 7.806 7.610 0.196 19654 3849 1 6 . 1 1 12 12 ILE N N 12 117.297 117.297 119.391 -2.094 19654 3850 1 6 . 1 1 12 12 ILE HA H 12 3.121 3.121 3.558 -0.437 19654 3851 1 6 . 1 1 12 12 ILE CA C 12 65.774 65.774 65.378 0.396 19654 3852 1 6 . 1 1 12 12 ILE CB C 12 39.143 39.143 37.649 1.494 19654 3853 1 6 . 1 1 12 12 ILE H H 12 7.401 7.401 7.569 -0.168 19654 3854 1 6 . 1 1 13 13 ILE N N 13 117.560 117.560 119.285 -1.725 19654 3855 1 6 . 1 1 13 13 ILE HA H 13 3.302 3.302 3.473 -0.171 19654 3856 1 6 . 1 1 13 13 ILE CA C 13 66.420 66.420 65.792 0.628 19654 3857 1 6 . 1 1 13 13 ILE CB C 13 37.714 37.714 37.487 0.227 19654 3858 1 6 . 1 1 13 13 ILE H H 13 8.378 8.378 8.119 0.259 19654 3859 1 6 . 1 1 14 14 SER N N 14 113.892 113.892 116.120 -2.228 19654 3860 1 6 . 1 1 14 14 SER HA H 14 3.889 3.889 3.952 -0.063 19654 3861 1 6 . 1 1 14 14 SER CA C 14 62.310 62.310 61.849 0.461 19654 3862 1 6 . 1 1 14 14 SER CB C 14 62.282 62.282 63.032 -0.750 19654 3863 1 6 . 1 1 14 14 SER H H 14 9.048 9.048 8.353 0.695 19654 3864 1 6 . 1 1 15 15 ARG N N 15 118.890 118.890 120.778 -1.888 19654 3865 1 6 . 1 1 15 15 ARG HA H 15 4.033 4.033 3.935 0.098 19654 3866 1 6 . 1 1 15 15 ARG CA C 15 59.496 59.496 59.444 0.052 19654 3867 1 6 . 1 1 15 15 ARG CB C 15 29.727 29.727 30.108 -0.381 19654 3868 1 6 . 1 1 15 15 ARG H H 15 7.655 7.655 7.595 0.060 19654 3869 1 6 . 1 1 16 16 TYR N N 16 119.757 119.757 121.442 -1.685 19654 3870 1 6 . 1 1 16 16 TYR HA H 16 4.146 4.146 4.091 0.055 19654 3871 1 6 . 1 1 16 16 TYR CA C 16 61.265 61.265 61.761 -0.496 19654 3872 1 6 . 1 1 16 16 TYR CB C 16 38.495 38.495 38.238 0.257 19654 3873 1 6 . 1 1 16 16 TYR H H 16 8.351 8.351 8.077 0.274 19654 3874 1 6 . 1 1 17 17 LEU N N 17 118.494 118.494 119.149 -0.655 19654 3875 1 6 . 1 1 17 17 LEU HA H 17 3.375 3.375 3.770 -0.395 19654 3876 1 6 . 1 1 17 17 LEU CA C 17 59.627 59.627 58.417 1.210 19654 3877 1 6 . 1 1 17 17 LEU CB C 17 39.949 39.949 41.221 -1.272 19654 3878 1 6 . 1 1 17 17 LEU H H 17 8.578 8.578 8.567 0.011 19654 3879 1 6 . 1 1 18 18 ARG N N 18 115.962 115.962 118.686 -2.724 19654 3880 1 6 . 1 1 18 18 ARG HA H 18 3.858 3.858 3.915 -0.057 19654 3881 1 6 . 1 1 18 18 ARG CA C 18 60.233 60.233 58.646 1.587 19654 3882 1 6 . 1 1 18 18 ARG CB C 18 29.993 29.993 29.351 0.642 19654 3883 1 6 . 1 1 18 18 ARG H H 18 8.044 8.044 8.124 -0.080 19654 3884 1 6 . 1 1 19 19 GLU N N 19 120.998 120.998 119.907 1.091 19654 3885 1 6 . 1 1 19 19 GLU HA H 19 4.153 4.153 4.262 -0.109 19654 3886 1 6 . 1 1 19 19 GLU CA C 19 58.857 58.857 58.781 0.076 19654 3887 1 6 . 1 1 19 19 GLU CB C 19 29.661 29.661 28.860 0.801 19654 3888 1 6 . 1 1 19 19 GLU H H 19 8.268 8.268 8.634 -0.366 19654 3889 1 6 . 1 1 20 20 GLN N N 20 119.903 119.903 117.589 2.314 19654 3890 1 6 . 1 1 20 20 GLN HA H 20 3.715 3.715 4.005 -0.290 19654 3891 1 6 . 1 1 20 20 GLN CA C 20 58.008 58.008 57.452 0.556 19654 3892 1 6 . 1 1 20 20 GLN CB C 20 28.666 28.666 27.708 0.958 19654 3893 1 6 . 1 1 20 20 GLN H H 20 8.193 8.193 8.054 0.139 19654 3894 1 6 . 1 1 21 21 ALA N N 21 117.771 117.771 120.711 -2.940 19654 3895 1 6 . 1 1 21 21 ALA HA H 21 3.985 3.985 4.146 -0.161 19654 3896 1 6 . 1 1 21 21 ALA CA C 21 54.397 54.397 54.305 0.092 19654 3897 1 6 . 1 1 21 21 ALA CB C 21 20.022 20.022 19.377 0.645 19654 3898 1 6 . 1 1 21 21 ALA H H 21 7.883 7.883 7.484 0.399 19654 3899 1 6 . 1 1 22 22 THR N N 22 103.721 103.721 108.862 -5.141 19654 3900 1 6 . 1 1 22 22 THR HA H 22 4.279 4.279 4.205 0.074 19654 3901 1 6 . 1 1 22 22 THR CA C 22 62.357 62.357 62.719 -0.362 19654 3902 1 6 . 1 1 22 22 THR CB C 22 71.071 71.071 70.354 0.717 19654 3903 1 6 . 1 1 22 22 THR H H 22 8.024 8.024 8.033 -0.009 19654 3904 1 6 . 1 1 23 23 GLY N N 23 111.610 111.610 111.252 0.358 19654 3905 1 6 . 1 1 23 23 GLY CA C 23 45.574 45.574 45.600 -0.026 19654 3906 1 6 . 1 1 23 23 GLY H H 23 8.155 8.155 7.992 0.163 19654 3907 1 6 . 1 1 24 24 ALA N N 24 123.004 123.004 122.436 0.568 19654 3908 1 6 . 1 1 24 24 ALA HA H 24 4.526 4.526 4.640 -0.114 19654 3909 1 6 . 1 1 24 24 ALA CA C 24 50.763 50.763 51.205 -0.442 19654 3910 1 6 . 1 1 24 24 ALA CB C 24 20.186 20.186 21.346 -1.160 19654 3911 1 6 . 1 1 24 24 ALA H H 24 7.763 7.763 7.512 0.251 19654 3912 1 6 . 1 1 25 25 LYS N N 25 121.392 121.392 122.232 -0.840 19654 3913 1 6 . 1 1 25 25 LYS HA H 25 4.181 4.181 4.310 -0.129 19654 3914 1 6 . 1 1 25 25 LYS CA C 25 55.729 55.729 55.990 -0.261 19654 3915 1 6 . 1 1 25 25 LYS CB C 25 33.175 33.175 33.194 -0.020 19654 3916 1 6 . 1 1 25 25 LYS H H 25 8.349 8.349 8.377 -0.028 19654 3917 1 6 . 1 1 26 26 ASP N N 26 124.433 124.433 121.147 3.286 19654 3918 1 6 . 1 1 26 26 ASP HA H 26 4.618 4.618 4.680 -0.062 19654 3919 1 6 . 1 1 26 26 ASP CA C 26 53.735 53.735 53.483 0.252 19654 3920 1 6 . 1 1 26 26 ASP CB C 26 41.402 41.402 41.769 -0.367 19654 3921 1 6 . 1 1 26 26 ASP H H 26 8.803 8.803 8.203 0.600 19654 3922 1 6 . 1 1 27 27 THR N N 27 116.332 116.332 112.325 4.007 19654 3923 1 6 . 1 1 27 27 THR HA H 27 4.249 4.249 4.420 -0.171 19654 3924 1 6 . 1 1 27 27 THR CA C 27 61.268 61.268 61.679 -0.411 19654 3925 1 6 . 1 1 27 27 THR CB C 27 68.993 68.993 69.242 -0.249 19654 3926 1 6 . 1 1 27 27 THR H H 27 8.363 8.363 8.048 0.315 19654 3927 1 6 . 1 1 28 28 LYS N N 28 125.551 125.551 122.900 2.651 19654 3928 1 6 . 1 1 28 28 LYS HA H 28 4.437 4.437 4.703 -0.266 19654 3929 1 6 . 1 1 28 28 LYS CA C 28 55.188 55.188 53.722 1.466 19654 3930 1 6 . 1 1 28 28 LYS CB C 28 31.409 31.409 32.820 -1.411 19654 3931 1 6 . 1 1 28 28 LYS H H 28 8.346 8.346 8.175 0.171 19654 3932 1 6 . 1 1 29 29 PRO HA H 29 4.392 4.392 4.439 -0.047 19654 3933 1 6 . 1 1 29 29 PRO CA C 29 63.164 63.164 63.134 0.030 19654 3934 1 6 . 1 1 29 29 PRO CB C 29 31.904 31.904 31.940 -0.036 19654 3935 1 6 . 1 1 30 30 MET N N 30 121.136 121.136 126.836 -5.700 19654 3936 1 6 . 1 1 30 30 MET HA H 30 4.381 4.381 4.395 -0.014 19654 3937 1 6 . 1 1 30 30 MET CA C 30 55.229 55.229 54.026 1.203 19654 3938 1 6 . 1 1 30 30 MET CB C 30 33.819 33.819 32.403 1.416 19654 3939 1 6 . 1 1 30 30 MET H H 30 8.585 8.585 8.287 0.298 19654 3940 1 6 . 1 1 31 31 GLY N N 31 109.849 109.849 114.317 -4.468 19654 3941 1 6 . 1 1 31 31 GLY CA C 31 44.983 44.983 45.359 -0.376 19654 3942 1 6 . 1 1 31 31 GLY H H 31 8.930 8.930 7.983 0.947 19654 3943 1 6 . 1 1 32 32 ARG N N 32 121.001 121.001 120.347 0.654 19654 3944 1 6 . 1 1 32 32 ARG HA H 32 4.239 4.239 4.356 -0.117 19654 3945 1 6 . 1 1 32 32 ARG CA C 32 56.755 56.755 57.781 -1.026 19654 3946 1 6 . 1 1 32 32 ARG CB C 32 30.110 30.110 30.542 -0.432 19654 3947 1 6 . 1 1 32 32 ARG H H 32 8.447 8.447 8.717 -0.270 19654 3948 1 6 . 1 1 33 33 SER N N 33 119.991 119.991 112.364 7.627 19654 3949 1 6 . 1 1 33 33 SER HA H 33 4.386 4.386 4.314 0.072 19654 3950 1 6 . 1 1 33 33 SER CA C 33 58.502 58.502 59.480 -0.978 19654 3951 1 6 . 1 1 33 33 SER CB C 33 62.609 62.609 63.627 -1.018 19654 3952 1 6 . 1 1 33 33 SER H H 33 8.667 8.667 8.013 0.654 19654 3953 1 6 . 1 1 34 34 GLY N N 34 108.582 108.582 108.483 0.099 19654 3954 1 6 . 1 1 34 34 GLY CA C 34 46.637 46.637 45.952 0.685 19654 3955 1 6 . 1 1 34 34 GLY H H 34 8.216 8.216 7.506 0.710 19654 3956 1 6 . 1 1 35 35 ALA N N 35 123.445 123.445 126.815 -3.370 19654 3957 1 6 . 1 1 35 35 ALA HA H 35 4.193 4.193 4.042 0.151 19654 3958 1 6 . 1 1 35 35 ALA CA C 35 54.770 54.770 55.336 -0.566 19654 3959 1 6 . 1 1 35 35 ALA CB C 35 18.437 18.437 18.592 -0.155 19654 3960 1 6 . 1 1 35 35 ALA H H 35 8.506 8.506 8.176 0.330 19654 3961 1 6 . 1 1 36 36 THR N N 36 115.716 115.716 114.658 1.058 19654 3962 1 6 . 1 1 36 36 THR HA H 36 3.919 3.919 3.958 -0.039 19654 3963 1 6 . 1 1 36 36 THR CA C 36 67.249 67.249 66.597 0.652 19654 3964 1 6 . 1 1 36 36 THR CB C 36 68.225 68.225 68.501 -0.276 19654 3965 1 6 . 1 1 36 36 THR H H 36 8.262 8.262 8.178 0.084 19654 3966 1 6 . 1 1 37 37 SER N N 37 117.911 117.911 117.000 0.911 19654 3967 1 6 . 1 1 37 37 SER HA H 37 3.869 3.869 4.079 -0.210 19654 3968 1 6 . 1 1 37 37 SER CA C 37 62.333 62.333 61.796 0.537 19654 3969 1 6 . 1 1 37 37 SER CB C 37 62.333 62.333 62.429 -0.096 19654 3970 1 6 . 1 1 37 37 SER H H 37 8.389 8.389 8.301 0.088 19654 3971 1 6 . 1 1 38 38 ARG N N 38 120.924 120.924 122.384 -1.460 19654 3972 1 6 . 1 1 38 38 ARG HA H 38 3.901 3.901 3.905 -0.004 19654 3973 1 6 . 1 1 38 38 ARG CA C 38 59.923 59.923 59.517 0.406 19654 3974 1 6 . 1 1 38 38 ARG CB C 38 29.759 29.759 30.356 -0.597 19654 3975 1 6 . 1 1 38 38 ARG H H 38 8.278 8.278 8.480 -0.202 19654 3976 1 6 . 1 1 39 39 LYS N N 39 119.172 119.172 118.854 0.318 19654 3977 1 6 . 1 1 39 39 LYS HA H 39 4.151 4.151 4.107 0.044 19654 3978 1 6 . 1 1 39 39 LYS CA C 39 59.086 59.086 59.237 -0.151 19654 3979 1 6 . 1 1 39 39 LYS CB C 39 32.807 32.807 32.046 0.761 19654 3980 1 6 . 1 1 39 39 LYS H H 39 7.930 7.930 8.147 -0.217 19654 3981 1 6 . 1 1 40 40 ALA N N 40 125.586 125.586 123.283 2.303 19654 3982 1 6 . 1 1 40 40 ALA HA H 40 4.175 4.175 4.251 -0.076 19654 3983 1 6 . 1 1 40 40 ALA CA C 40 55.633 55.633 55.081 0.552 19654 3984 1 6 . 1 1 40 40 ALA CB C 40 18.675 18.675 18.335 0.340 19654 3985 1 6 . 1 1 40 40 ALA H H 40 9.192 9.192 8.030 1.162 19654 3986 1 6 . 1 1 41 41 LEU N N 41 120.080 120.080 120.596 -0.516 19654 3987 1 6 . 1 1 41 41 LEU HA H 41 3.930 3.930 3.820 0.110 19654 3988 1 6 . 1 1 41 41 LEU CA C 41 58.169 58.169 58.029 0.140 19654 3989 1 6 . 1 1 41 41 LEU CB C 41 41.683 41.683 41.761 -0.078 19654 3990 1 6 . 1 1 41 41 LEU H H 41 8.209 8.209 7.560 0.649 19654 3991 1 6 . 1 1 42 42 GLU N N 42 117.875 117.875 115.797 2.078 19654 3992 1 6 . 1 1 42 42 GLU HA H 42 3.977 3.977 4.040 -0.063 19654 3993 1 6 . 1 1 42 42 GLU CA C 42 59.335 59.335 59.126 0.209 19654 3994 1 6 . 1 1 42 42 GLU CB C 42 29.176 29.176 28.919 0.258 19654 3995 1 6 . 1 1 42 42 GLU H H 42 8.197 8.197 8.206 -0.009 19654 3996 1 6 . 1 1 43 43 THR N N 43 116.912 116.912 118.072 -1.160 19654 3997 1 6 . 1 1 43 43 THR HA H 43 3.793 3.793 4.092 -0.299 19654 3998 1 6 . 1 1 43 43 THR CA C 43 67.517 67.517 66.505 1.012 19654 3999 1 6 . 1 1 43 43 THR CB C 43 68.089 68.089 68.686 -0.597 19654 4000 1 6 . 1 1 43 43 THR H H 43 8.183 8.183 7.851 0.332 19654 4001 1 6 . 1 1 44 44 LEU N N 44 123.099 123.099 121.277 1.822 19654 4002 1 6 . 1 1 44 44 LEU HA H 44 3.699 3.699 3.811 -0.112 19654 4003 1 6 . 1 1 44 44 LEU CA C 44 58.261 58.261 58.148 0.113 19654 4004 1 6 . 1 1 44 44 LEU CB C 44 40.988 40.988 41.023 -0.035 19654 4005 1 6 . 1 1 44 44 LEU H H 44 8.509 8.509 8.382 0.127 19654 4006 1 6 . 1 1 45 45 ARG N N 45 116.885 116.885 117.870 -0.985 19654 4007 1 6 . 1 1 45 45 ARG HA H 45 4.125 4.125 4.286 -0.161 19654 4008 1 6 . 1 1 45 45 ARG CA C 45 59.617 59.617 59.617 -0.000 19654 4009 1 6 . 1 1 45 45 ARG CB C 45 30.423 30.423 29.927 0.496 19654 4010 1 6 . 1 1 45 45 ARG H H 45 8.398 8.398 7.722 0.676 19654 4011 1 6 . 1 1 46 46 ARG N N 46 117.297 117.297 120.237 -2.940 19654 4012 1 6 . 1 1 46 46 ARG HA H 46 4.229 4.229 4.088 0.141 19654 4013 1 6 . 1 1 46 46 ARG CA C 46 58.427 58.427 59.161 -0.734 19654 4014 1 6 . 1 1 46 46 ARG CB C 46 30.408 30.408 30.404 0.004 19654 4015 1 6 . 1 1 46 46 ARG H H 46 7.421 7.421 7.911 -0.490 19654 4016 1 6 . 1 1 47 47 VAL N N 47 114.304 114.304 112.490 1.814 19654 4017 1 6 . 1 1 47 47 VAL HA H 47 4.094 4.094 4.262 -0.168 19654 4018 1 6 . 1 1 47 47 VAL CA C 47 63.242 63.242 64.305 -1.063 19654 4019 1 6 . 1 1 47 47 VAL CB C 47 32.378 32.378 31.903 0.475 19654 4020 1 6 . 1 1 47 47 VAL H H 47 8.515 8.515 8.192 0.323 19654 4021 1 6 . 1 1 48 48 GLY N N 48 110.132 110.132 109.649 0.483 19654 4022 1 6 . 1 1 48 48 GLY CA C 48 46.588 46.588 47.617 -1.029 19654 4023 1 6 . 1 1 48 48 GLY H H 48 8.890 8.890 8.265 0.625 19654 4024 1 6 . 1 1 49 49 ASP N N 49 121.292 121.292 122.091 -0.799 19654 4025 1 6 . 1 1 49 49 ASP HA H 49 4.456 4.456 4.499 -0.043 19654 4026 1 6 . 1 1 49 49 ASP CA C 49 57.787 57.787 57.924 -0.137 19654 4027 1 6 . 1 1 49 49 ASP CB C 49 40.912 40.912 40.803 0.109 19654 4028 1 6 . 1 1 49 49 ASP H H 49 7.392 7.392 8.071 -0.679 19654 4029 1 6 . 1 1 50 50 GLY N N 50 106.682 106.682 108.183 -1.501 19654 4030 1 6 . 1 1 50 50 GLY CA C 50 46.932 46.932 47.222 -0.290 19654 4031 1 6 . 1 1 50 50 GLY H H 50 8.132 8.132 8.003 0.129 19654 4032 1 6 . 1 1 51 51 VAL N N 51 121.747 121.747 122.298 -0.551 19654 4033 1 6 . 1 1 51 51 VAL HA H 51 3.944 3.944 3.748 0.196 19654 4034 1 6 . 1 1 51 51 VAL CA C 51 66.355 66.355 66.046 0.309 19654 4035 1 6 . 1 1 51 51 VAL CB C 51 31.594 31.594 31.106 0.488 19654 4036 1 6 . 1 1 51 51 VAL H H 51 7.476 7.476 8.064 -0.588 19654 4037 1 6 . 1 1 52 52 GLN N N 52 118.494 118.494 118.951 -0.457 19654 4038 1 6 . 1 1 52 52 GLN HA H 52 3.913 3.913 4.101 -0.188 19654 4039 1 6 . 1 1 52 52 GLN CA C 52 60.391 60.391 59.513 0.878 19654 4040 1 6 . 1 1 52 52 GLN CB C 52 29.682 29.682 28.776 0.906 19654 4041 1 6 . 1 1 52 52 GLN H H 52 8.439 8.439 8.496 -0.057 19654 4042 1 6 . 1 1 53 53 ARG N N 53 116.807 116.807 118.548 -1.741 19654 4043 1 6 . 1 1 53 53 ARG HA H 53 4.163 4.163 4.079 0.084 19654 4044 1 6 . 1 1 53 53 ARG CA C 53 59.086 59.086 58.580 0.506 19654 4045 1 6 . 1 1 53 53 ARG CB C 53 30.009 30.009 29.814 0.195 19654 4046 1 6 . 1 1 53 53 ARG H H 53 7.873 7.873 8.368 -0.495 19654 4047 1 6 . 1 1 54 54 ASN N N 54 116.356 116.356 114.746 1.610 19654 4048 1 6 . 1 1 54 54 ASN HA H 54 4.448 4.448 4.537 -0.089 19654 4049 1 6 . 1 1 54 54 ASN CA C 54 54.694 54.694 55.041 -0.347 19654 4050 1 6 . 1 1 54 54 ASN CB C 54 38.302 38.302 38.330 -0.028 19654 4051 1 6 . 1 1 54 54 ASN H H 54 8.123 8.123 7.755 0.368 19654 4052 1 6 . 1 1 55 55 HIS N N 55 114.809 114.809 117.596 -2.787 19654 4053 1 6 . 1 1 55 55 HIS HA H 55 4.504 4.504 4.285 0.219 19654 4054 1 6 . 1 1 55 55 HIS CA C 55 55.949 55.949 57.903 -1.954 19654 4055 1 6 . 1 1 55 55 HIS CB C 55 28.341 28.341 29.982 -1.641 19654 4056 1 6 . 1 1 55 55 HIS H H 55 7.558 7.558 7.924 -0.366 19654 4057 1 6 . 1 1 56 56 GLU N N 56 121.943 121.943 121.122 0.821 19654 4058 1 6 . 1 1 56 56 GLU HA H 56 3.640 3.640 3.870 -0.230 19654 4059 1 6 . 1 1 56 56 GLU CA C 56 61.360 61.360 60.381 0.979 19654 4060 1 6 . 1 1 56 56 GLU CB C 56 30.006 30.006 29.339 0.667 19654 4061 1 6 . 1 1 56 56 GLU H H 56 7.071 7.071 8.283 -1.212 19654 4062 1 6 . 1 1 57 57 THR N N 57 112.827 112.827 113.735 -0.908 19654 4063 1 6 . 1 1 57 57 THR HA H 57 3.984 3.984 4.138 -0.154 19654 4064 1 6 . 1 1 57 57 THR CA C 57 66.247 66.247 65.588 0.659 19654 4065 1 6 . 1 1 57 57 THR CB C 57 68.002 68.002 68.500 -0.498 19654 4066 1 6 . 1 1 57 57 THR H H 57 8.324 8.324 8.469 -0.145 19654 4067 1 6 . 1 1 58 58 ALA N N 58 126.520 126.520 123.781 2.739 19654 4068 1 6 . 1 1 58 58 ALA HA H 58 4.147 4.147 4.123 0.024 19654 4069 1 6 . 1 1 58 58 ALA CA C 58 54.707 54.707 54.489 0.218 19654 4070 1 6 . 1 1 58 58 ALA CB C 58 17.734 17.734 17.970 -0.236 19654 4071 1 6 . 1 1 58 58 ALA H H 58 7.910 7.910 7.257 0.653 19654 4072 1 6 . 1 1 59 59 PHE N N 59 119.326 119.326 117.762 1.564 19654 4073 1 6 . 1 1 59 59 PHE HA H 59 4.518 4.518 4.274 0.244 19654 4074 1 6 . 1 1 59 59 PHE CA C 59 56.946 56.946 58.734 -1.788 19654 4075 1 6 . 1 1 59 59 PHE CB C 59 34.583 34.583 37.866 -3.283 19654 4076 1 6 . 1 1 59 59 PHE H H 59 9.017 9.017 7.987 1.030 19654 4077 1 6 . 1 1 60 60 GLN N N 60 119.670 119.670 118.892 0.778 19654 4078 1 6 . 1 1 60 60 GLN HA H 60 4.232 4.232 4.166 0.066 19654 4079 1 6 . 1 1 60 60 GLN CA C 60 59.359 59.359 59.210 0.149 19654 4080 1 6 . 1 1 60 60 GLN CB C 60 28.009 28.009 27.939 0.070 19654 4081 1 6 . 1 1 60 60 GLN H H 60 8.678 8.678 8.873 -0.195 19654 4082 1 6 . 1 1 61 61 GLY N N 61 106.140 106.140 106.262 -0.122 19654 4083 1 6 . 1 1 61 61 GLY CA C 61 47.085 47.085 46.995 0.090 19654 4084 1 6 . 1 1 61 61 GLY H H 61 7.975 7.975 7.984 -0.009 19654 4085 1 6 . 1 1 62 62 MET N N 62 120.973 120.973 118.917 2.056 19654 4086 1 6 . 1 1 62 62 MET HA H 62 4.080 4.080 4.503 -0.423 19654 4087 1 6 . 1 1 62 62 MET CA C 62 58.752 58.752 57.539 1.213 19654 4088 1 6 . 1 1 62 62 MET CB C 62 33.824 33.824 33.377 0.448 19654 4089 1 6 . 1 1 62 62 MET H H 62 8.007 8.007 7.630 0.377 19654 4090 1 6 . 1 1 63 63 LEU N N 63 119.043 119.043 121.363 -2.320 19654 4091 1 6 . 1 1 63 63 LEU HA H 63 4.139 4.139 4.048 0.091 19654 4092 1 6 . 1 1 63 63 LEU CA C 63 57.645 57.645 58.091 -0.446 19654 4093 1 6 . 1 1 63 63 LEU CB C 63 42.173 42.173 41.807 0.366 19654 4094 1 6 . 1 1 63 63 LEU H H 63 8.394 8.394 8.594 -0.200 19654 4095 1 6 . 1 1 64 64 ARG N N 64 117.294 117.294 118.093 -0.799 19654 4096 1 6 . 1 1 64 64 ARG HA H 64 4.090 4.090 4.077 0.013 19654 4097 1 6 . 1 1 64 64 ARG CA C 64 58.551 58.551 58.903 -0.352 19654 4098 1 6 . 1 1 64 64 ARG CB C 64 29.772 29.772 29.906 -0.134 19654 4099 1 6 . 1 1 64 64 ARG H H 64 7.912 7.912 8.660 -0.748 19654 4100 1 6 . 1 1 65 65 LYS N N 65 116.840 116.840 117.810 -0.970 19654 4101 1 6 . 1 1 65 65 LYS HA H 65 4.165 4.165 4.352 -0.187 19654 4102 1 6 . 1 1 65 65 LYS CA C 65 57.175 57.175 57.089 0.086 19654 4103 1 6 . 1 1 65 65 LYS CB C 65 32.299 32.299 32.314 -0.015 19654 4104 1 6 . 1 1 65 65 LYS H H 65 7.506 7.506 7.943 -0.437 19654 4105 1 6 . 1 1 66 66 LEU N N 66 119.257 119.257 120.760 -1.503 19654 4106 1 6 . 1 1 66 66 LEU HA H 66 4.232 4.232 4.307 -0.075 19654 4107 1 6 . 1 1 66 66 LEU CA C 66 55.442 55.442 55.725 -0.283 19654 4108 1 6 . 1 1 66 66 LEU CB C 66 43.042 43.042 42.720 0.322 19654 4109 1 6 . 1 1 66 66 LEU H H 66 7.736 7.736 7.492 0.244 19654 4110 1 6 . 1 1 67 67 ASP N N 67 119.743 119.743 119.016 0.727 19654 4111 1 6 . 1 1 67 67 ASP HA H 67 4.457 4.457 4.183 0.274 19654 4112 1 6 . 1 1 67 67 ASP CA C 67 53.850 53.850 54.914 -1.064 19654 4113 1 6 . 1 1 67 67 ASP CB C 67 40.195 40.195 40.285 -0.090 19654 4114 1 6 . 1 1 67 67 ASP H H 67 8.068 8.068 8.030 0.038 19654 4115 1 6 . 1 1 68 68 ILE N N 68 120.055 120.055 120.812 -0.757 19654 4116 1 6 . 1 1 68 68 ILE HA H 68 3.870 3.870 3.951 -0.081 19654 4117 1 6 . 1 1 68 68 ILE CA C 68 61.524 61.524 61.781 -0.257 19654 4118 1 6 . 1 1 68 68 ILE CB C 68 37.986 37.986 37.193 0.793 19654 4119 1 6 . 1 1 68 68 ILE H H 68 8.275 8.275 8.150 0.125 19654 4120 1 6 . 1 1 69 69 LYS N N 69 126.186 126.186 125.971 0.215 19654 4121 1 6 . 1 1 69 69 LYS HA H 69 4.481 4.481 4.388 0.093 19654 4122 1 6 . 1 1 69 69 LYS CA C 69 56.304 56.304 55.861 0.443 19654 4123 1 6 . 1 1 69 69 LYS CB C 69 34.136 34.136 33.532 0.604 19654 4124 1 6 . 1 1 69 69 LYS H H 69 9.722 9.722 8.932 0.790 19654 4125 1 6 . 1 1 70 70 ASN N N 70 115.056 115.056 115.687 -0.631 19654 4126 1 6 . 1 1 70 70 ASN HA H 70 4.700 4.700 4.775 -0.075 19654 4127 1 6 . 1 1 70 70 ASN CA C 70 51.977 51.977 51.953 0.024 19654 4128 1 6 . 1 1 70 70 ASN CB C 70 39.474 39.474 39.300 0.174 19654 4129 1 6 . 1 1 70 70 ASN H H 70 7.959 7.959 8.147 -0.188 19654 4130 1 6 . 1 1 71 71 GLU N N 71 118.214 118.214 121.176 -2.962 19654 4131 1 6 . 1 1 71 71 GLU HA H 71 3.967 3.967 3.899 0.068 19654 4132 1 6 . 1 1 71 71 GLU CA C 71 59.354 59.354 60.017 -0.663 19654 4133 1 6 . 1 1 71 71 GLU CB C 71 29.520 29.520 29.668 -0.148 19654 4134 1 6 . 1 1 71 71 GLU H H 71 8.831 8.831 8.867 -0.036 19654 4135 1 6 . 1 1 72 72 ASP N N 72 120.319 120.319 118.197 2.122 19654 4136 1 6 . 1 1 72 72 ASP HA H 72 4.422 4.422 4.345 0.077 19654 4137 1 6 . 1 1 72 72 ASP CA C 72 57.036 57.036 57.322 -0.286 19654 4138 1 6 . 1 1 72 72 ASP CB C 72 39.945 39.945 40.615 -0.670 19654 4139 1 6 . 1 1 72 72 ASP H H 72 8.167 8.167 7.989 0.178 19654 4140 1 6 . 1 1 73 73 ASP N N 73 119.793 119.793 119.104 0.689 19654 4141 1 6 . 1 1 73 73 ASP HA H 73 4.521 4.521 4.449 0.072 19654 4142 1 6 . 1 1 73 73 ASP CA C 73 56.337 56.337 57.495 -1.158 19654 4143 1 6 . 1 1 73 73 ASP CB C 73 41.927 41.927 40.514 1.413 19654 4144 1 6 . 1 1 73 73 ASP H H 73 8.153 8.153 7.940 0.213 19654 4145 1 6 . 1 1 74 74 VAL N N 74 117.572 117.572 120.447 -2.875 19654 4146 1 6 . 1 1 74 74 VAL HA H 74 3.714 3.714 3.625 0.089 19654 4147 1 6 . 1 1 74 74 VAL CA C 74 65.498 65.498 66.041 -0.543 19654 4148 1 6 . 1 1 74 74 VAL CB C 74 31.077 31.077 31.549 -0.472 19654 4149 1 6 . 1 1 74 74 VAL H H 74 7.629 7.629 7.244 0.385 19654 4150 1 6 . 1 1 75 75 LYS N N 75 119.403 119.403 119.367 0.036 19654 4151 1 6 . 1 1 75 75 LYS HA H 75 4.154 4.154 3.904 0.250 19654 4152 1 6 . 1 1 75 75 LYS CA C 75 59.034 59.034 59.869 -0.835 19654 4153 1 6 . 1 1 75 75 LYS CB C 75 31.909 31.909 32.005 -0.096 19654 4154 1 6 . 1 1 75 75 LYS H H 75 7.961 7.961 8.078 -0.117 19654 4155 1 6 . 1 1 76 76 SER N N 76 114.355 114.355 115.506 -1.151 19654 4156 1 6 . 1 1 76 76 SER HA H 76 4.453 4.453 4.224 0.229 19654 4157 1 6 . 1 1 76 76 SER CA C 76 60.061 60.061 61.012 -0.951 19654 4158 1 6 . 1 1 76 76 SER CB C 76 63.023 63.023 63.006 0.017 19654 4159 1 6 . 1 1 76 76 SER H H 76 7.919 7.919 7.746 0.173 19654 4160 1 6 . 1 1 77 77 LEU N N 77 121.954 121.954 121.722 0.232 19654 4161 1 6 . 1 1 77 77 LEU HA H 77 4.230 4.230 4.027 0.203 19654 4162 1 6 . 1 1 77 77 LEU CA C 77 56.764 56.764 57.619 -0.855 19654 4163 1 6 . 1 1 77 77 LEU CB C 77 41.695 41.695 41.605 0.090 19654 4164 1 6 . 1 1 77 77 LEU H H 77 7.883 7.883 8.148 -0.265 19654 4165 1 6 . 1 1 78 78 SER N N 78 115.268 115.268 114.164 1.104 19654 4166 1 6 . 1 1 78 78 SER HA H 78 3.962 3.962 3.949 0.013 19654 4167 1 6 . 1 1 78 78 SER CA C 78 62.337 62.337 61.858 0.479 19654 4168 1 6 . 1 1 78 78 SER CB C 78 62.218 62.218 62.932 -0.714 19654 4169 1 6 . 1 1 78 78 SER H H 78 8.185 8.185 7.930 0.255 19654 4170 1 6 . 1 1 79 79 ARG N N 79 119.021 119.021 119.365 -0.344 19654 4171 1 6 . 1 1 79 79 ARG HA H 79 4.090 4.090 3.985 0.105 19654 4172 1 6 . 1 1 79 79 ARG CA C 79 58.849 58.849 58.604 0.245 19654 4173 1 6 . 1 1 79 79 ARG CB C 79 29.930 29.930 29.306 0.624 19654 4174 1 6 . 1 1 79 79 ARG H H 79 7.684 7.684 7.641 0.043 19654 4175 1 6 . 1 1 80 80 VAL N N 80 116.979 116.979 120.726 -3.747 19654 4176 1 6 . 1 1 80 80 VAL HA H 80 3.953 3.953 3.847 0.106 19654 4177 1 6 . 1 1 80 80 VAL CA C 80 64.228 64.228 65.258 -1.030 19654 4178 1 6 . 1 1 80 80 VAL CB C 80 32.210 32.210 31.287 0.923 19654 4179 1 6 . 1 1 80 80 VAL H H 80 7.479 7.479 7.745 -0.266 19654 4180 1 6 . 1 1 81 81 MET N N 81 117.822 117.822 118.974 -1.152 19654 4181 1 6 . 1 1 81 81 MET HA H 81 4.053 4.053 4.082 -0.029 19654 4182 1 6 . 1 1 81 81 MET CA C 81 58.322 58.322 57.928 0.394 19654 4183 1 6 . 1 1 81 81 MET CB C 81 32.555 32.555 31.287 1.268 19654 4184 1 6 . 1 1 81 81 MET H H 81 8.104 8.104 8.179 -0.075 19654 4185 1 6 . 1 1 82 82 ILE N N 82 116.348 116.348 117.640 -1.292 19654 4186 1 6 . 1 1 82 82 ILE HA H 82 3.815 3.815 3.812 0.003 19654 4187 1 6 . 1 1 82 82 ILE CA C 82 63.653 63.653 64.420 -0.767 19654 4188 1 6 . 1 1 82 82 ILE CB C 82 37.879 37.879 37.464 0.415 19654 4189 1 6 . 1 1 82 82 ILE H H 82 7.789 7.789 7.973 -0.184 19654 4190 1 6 . 1 1 83 83 HIS N N 83 118.994 118.994 116.214 2.780 19654 4191 1 6 . 1 1 83 83 HIS HA H 83 4.409 4.409 4.482 -0.073 19654 4192 1 6 . 1 1 83 83 HIS CA C 83 58.245 58.245 57.394 0.851 19654 4193 1 6 . 1 1 83 83 HIS CB C 83 29.735 29.735 29.597 0.138 19654 4194 1 6 . 1 1 83 83 HIS H H 83 7.543 7.543 7.178 0.365 19654 4195 1 6 . 1 1 84 84 VAL N N 84 117.112 117.112 120.332 -3.220 19654 4196 1 6 . 1 1 84 84 VAL HA H 84 3.631 3.631 3.641 -0.010 19654 4197 1 6 . 1 1 84 84 VAL CA C 84 64.628 64.628 65.997 -1.369 19654 4198 1 6 . 1 1 84 84 VAL CB C 84 31.904 31.904 31.578 0.326 19654 4199 1 6 . 1 1 84 84 VAL H H 84 7.713 7.713 7.707 0.006 19654 4200 1 6 . 1 1 85 85 PHE N N 85 115.531 115.531 116.714 -1.183 19654 4201 1 6 . 1 1 85 85 PHE HA H 85 4.733 4.733 4.520 0.213 19654 4202 1 6 . 1 1 85 85 PHE CA C 85 57.326 57.326 57.264 0.062 19654 4203 1 6 . 1 1 85 85 PHE CB C 85 39.507 39.507 36.351 3.156 19654 4204 1 6 . 1 1 85 85 PHE H H 85 7.743 7.743 7.575 0.168 19654 4205 1 6 . 1 1 86 86 SER N N 86 114.812 114.812 115.447 -0.635 19654 4206 1 6 . 1 1 86 86 SER HA H 86 4.275 4.275 4.408 -0.133 19654 4207 1 6 . 1 1 86 86 SER CA C 86 59.832 59.832 59.334 0.498 19654 4208 1 6 . 1 1 86 86 SER CB C 86 63.482 63.482 63.463 0.019 19654 4209 1 6 . 1 1 86 86 SER H H 86 7.634 7.634 7.859 -0.225 19654 4210 1 6 . 1 1 87 87 ASP N N 87 120.986 120.986 117.772 3.214 19654 4211 1 6 . 1 1 87 87 ASP HA H 87 4.491 4.491 4.689 -0.198 19654 4212 1 6 . 1 1 87 87 ASP CA C 87 54.032 54.032 52.864 1.168 19654 4213 1 6 . 1 1 87 87 ASP CB C 87 40.411 40.411 42.414 -2.003 19654 4214 1 6 . 1 1 87 87 ASP H H 87 8.043 8.043 7.648 0.395 19654 4215 1 6 . 1 1 88 88 GLY N N 88 108.171 108.171 107.486 0.685 19654 4216 1 6 . 1 1 88 88 GLY CA C 88 44.981 44.981 44.666 0.315 19654 4217 1 6 . 1 1 88 88 GLY H H 88 8.163 8.163 8.338 -0.175 19654 4218 1 6 . 1 1 89 89 VAL N N 89 121.716 121.716 121.586 0.130 19654 4219 1 6 . 1 1 89 89 VAL HA H 89 3.879 3.879 4.113 -0.234 19654 4220 1 6 . 1 1 89 89 VAL CA C 89 62.471 62.471 61.632 0.840 19654 4221 1 6 . 1 1 89 89 VAL CB C 89 32.418 32.418 33.732 -1.314 19654 4222 1 6 . 1 1 89 89 VAL H H 89 7.886 7.886 7.697 0.189 19654 4223 1 6 . 1 1 90 90 THR N N 90 121.669 121.669 115.738 5.931 19654 4224 1 6 . 1 1 90 90 THR HA H 90 3.657 3.657 3.732 -0.075 19654 4225 1 6 . 1 1 90 90 THR CA C 90 62.473 62.473 63.183 -0.710 19654 4226 1 6 . 1 1 90 90 THR CB C 90 68.528 68.528 68.382 0.146 19654 4227 1 6 . 1 1 90 90 THR H H 90 8.201 8.201 8.276 -0.075 19654 4228 1 6 . 1 1 91 91 ASN HA H 91 4.162 4.162 4.218 -0.056 19654 4229 1 6 . 1 1 91 91 ASN CA C 91 51.748 51.748 52.790 -1.042 19654 4230 1 6 . 1 1 91 91 ASN CB C 91 39.645 39.645 38.938 0.707 19654 4231 1 6 . 1 1 91 91 ASN H H 91 8.826 8.826 7.748 1.078 19654 4232 1 6 . 1 1 92 92 TRP N N 92 118.437 118.437 121.020 -2.583 19654 4233 1 6 . 1 1 92 92 TRP HA H 92 4.739 4.739 4.704 0.035 19654 4234 1 6 . 1 1 92 92 TRP CA C 92 60.233 60.233 58.611 1.622 19654 4235 1 6 . 1 1 92 92 TRP CB C 92 30.167 30.167 29.561 0.605 19654 4236 1 6 . 1 1 92 92 TRP H H 92 8.942 8.942 7.757 1.185 19654 4237 1 6 . 1 1 93 93 GLY N N 93 108.154 108.154 109.846 -1.692 19654 4238 1 6 . 1 1 93 93 GLY CA C 93 47.544 47.544 47.388 0.156 19654 4239 1 6 . 1 1 93 93 GLY H H 93 8.697 8.697 8.740 -0.043 19654 4240 1 6 . 1 1 94 94 ARG N N 94 122.547 122.547 119.964 2.583 19654 4241 1 6 . 1 1 94 94 ARG HA H 94 4.072 4.072 4.047 0.025 19654 4242 1 6 . 1 1 94 94 ARG CA C 94 58.556 58.556 58.796 -0.240 19654 4243 1 6 . 1 1 94 94 ARG CB C 94 30.201 30.201 29.449 0.752 19654 4244 1 6 . 1 1 94 94 ARG H H 94 8.353 8.353 7.964 0.389 19654 4245 1 6 . 1 1 95 95 ILE N N 95 120.130 120.130 120.726 -0.596 19654 4246 1 6 . 1 1 95 95 ILE HA H 95 3.708 3.708 4.139 -0.431 19654 4247 1 6 . 1 1 95 95 ILE CA C 95 65.511 65.511 63.369 2.142 19654 4248 1 6 . 1 1 95 95 ILE CB C 95 37.486 37.486 37.059 0.427 19654 4249 1 6 . 1 1 95 95 ILE H H 95 7.545 7.545 7.857 -0.312 19654 4250 1 6 . 1 1 96 96 VAL N N 96 119.403 119.403 120.551 -1.148 19654 4251 1 6 . 1 1 96 96 VAL HA H 96 3.723 3.723 3.798 -0.075 19654 4252 1 6 . 1 1 96 96 VAL CA C 96 67.249 67.249 67.090 0.159 19654 4253 1 6 . 1 1 96 96 VAL CB C 96 31.001 31.001 30.675 0.326 19654 4254 1 6 . 1 1 96 96 VAL H H 96 8.990 8.990 8.572 0.418 19654 4255 1 6 . 1 1 97 97 THR N N 97 122.016 122.016 117.005 5.011 19654 4256 1 6 . 1 1 97 97 THR HA H 97 3.784 3.784 3.988 -0.204 19654 4257 1 6 . 1 1 97 97 THR CA C 97 68.159 68.159 67.307 0.852 19654 4258 1 6 . 1 1 97 97 THR CB C 97 67.212 67.212 68.426 -1.214 19654 4259 1 6 . 1 1 97 97 THR H H 97 8.605 8.605 8.266 0.339 19654 4260 1 6 . 1 1 98 98 LEU N N 98 122.476 122.476 123.418 -0.942 19654 4261 1 6 . 1 1 98 98 LEU HA H 98 3.805 3.805 4.042 -0.237 19654 4262 1 6 . 1 1 98 98 LEU CA C 98 58.818 58.818 58.328 0.490 19654 4263 1 6 . 1 1 98 98 LEU CB C 98 41.158 41.158 41.807 -0.649 19654 4264 1 6 . 1 1 98 98 LEU H H 98 7.769 7.769 7.651 0.118 19654 4265 1 6 . 1 1 99 99 ILE N N 99 117.997 117.997 118.409 -0.412 19654 4266 1 6 . 1 1 99 99 ILE HA H 99 3.509 3.509 3.617 -0.108 19654 4267 1 6 . 1 1 99 99 ILE CA C 99 66.261 66.261 65.648 0.613 19654 4268 1 6 . 1 1 99 99 ILE CB C 99 38.350 38.350 37.407 0.943 19654 4269 1 6 . 1 1 99 99 ILE H H 99 8.175 8.175 7.960 0.215 19654 4270 1 6 . 1 1 100 100 SER N N 100 116.934 116.934 116.646 0.288 19654 4271 1 6 . 1 1 100 100 SER HA H 100 4.447 4.447 4.390 0.057 19654 4272 1 6 . 1 1 100 100 SER CA C 100 63.290 63.290 62.708 0.582 19654 4273 1 6 . 1 1 100 100 SER CB C 100 62.867 62.867 63.106 -0.239 19654 4274 1 6 . 1 1 100 100 SER H H 100 8.989 8.989 8.770 0.219 19654 4275 1 6 . 1 1 101 101 PHE N N 101 124.640 124.640 122.471 2.169 19654 4276 1 6 . 1 1 101 101 PHE HA H 101 3.420 3.420 3.872 -0.452 19654 4277 1 6 . 1 1 101 101 PHE CA C 101 60.499 60.499 59.511 0.988 19654 4278 1 6 . 1 1 101 101 PHE CB C 101 37.333 37.333 38.493 -1.160 19654 4279 1 6 . 1 1 101 101 PHE H H 101 8.513 8.513 8.320 0.193 19654 4280 1 6 . 1 1 102 102 GLY N N 102 106.116 106.116 107.221 -1.105 19654 4281 1 6 . 1 1 102 102 GLY CA C 102 48.166 48.166 47.045 1.121 19654 4282 1 6 . 1 1 102 102 GLY H H 102 8.111 8.111 8.351 -0.240 19654 4283 1 6 . 1 1 103 103 ALA N N 103 124.560 124.560 124.467 0.093 19654 4284 1 6 . 1 1 103 103 ALA HA H 103 3.780 3.780 3.978 -0.198 19654 4285 1 6 . 1 1 103 103 ALA CA C 103 55.646 55.646 54.673 0.973 19654 4286 1 6 . 1 1 103 103 ALA CB C 103 18.476 18.476 18.605 -0.129 19654 4287 1 6 . 1 1 103 103 ALA H H 103 8.437 8.437 8.294 0.143 19654 4288 1 6 . 1 1 104 104 PHE N N 104 120.981 120.981 119.990 0.991 19654 4289 1 6 . 1 1 104 104 PHE HA H 104 3.989 3.989 4.180 -0.191 19654 4290 1 6 . 1 1 104 104 PHE CA C 104 62.258 62.258 61.863 0.395 19654 4291 1 6 . 1 1 104 104 PHE CB C 104 39.949 39.949 39.439 0.510 19654 4292 1 6 . 1 1 104 104 PHE H H 104 8.213 8.213 8.036 0.177 19654 4293 1 6 . 1 1 105 105 VAL N N 105 120.473 120.473 119.118 1.355 19654 4294 1 6 . 1 1 105 105 VAL HA H 105 3.236 3.236 3.507 -0.271 19654 4295 1 6 . 1 1 105 105 VAL CA C 105 66.348 66.348 66.305 0.043 19654 4296 1 6 . 1 1 105 105 VAL CB C 105 30.720 30.720 31.093 -0.374 19654 4297 1 6 . 1 1 105 105 VAL H H 105 8.513 8.513 8.008 0.505 19654 4298 1 6 . 1 1 106 106 ALA N N 106 123.948 123.948 123.258 0.690 19654 4299 1 6 . 1 1 106 106 ALA HA H 106 3.660 3.660 3.871 -0.211 19654 4300 1 6 . 1 1 106 106 ALA CA C 106 55.607 55.607 55.597 0.010 19654 4301 1 6 . 1 1 106 106 ALA CB C 106 18.003 18.003 18.277 -0.274 19654 4302 1 6 . 1 1 106 106 ALA H H 106 8.807 8.807 8.094 0.713 19654 4303 1 6 . 1 1 107 107 LYS N N 107 115.836 115.836 117.290 -1.454 19654 4304 1 6 . 1 1 107 107 LYS HA H 107 3.733 3.733 3.876 -0.143 19654 4305 1 6 . 1 1 107 107 LYS CA C 107 60.462 60.462 59.322 1.140 19654 4306 1 6 . 1 1 107 107 LYS CB C 107 31.907 31.907 31.787 0.120 19654 4307 1 6 . 1 1 107 107 LYS H H 107 7.934 7.934 8.275 -0.341 19654 4308 1 6 . 1 1 108 108 HIS N N 108 120.459 120.459 120.572 -0.113 19654 4309 1 6 . 1 1 108 108 HIS HA H 108 4.212 4.212 4.310 -0.098 19654 4310 1 6 . 1 1 108 108 HIS CA C 108 59.623 59.623 59.353 0.270 19654 4311 1 6 . 1 1 108 108 HIS CB C 108 29.838 29.838 29.820 0.018 19654 4312 1 6 . 1 1 108 108 HIS H H 108 7.254 7.254 7.379 -0.125 19654 4313 1 6 . 1 1 109 109 LEU N N 109 118.336 118.336 120.810 -2.474 19654 4314 1 6 . 1 1 109 109 LEU HA H 109 3.640 3.640 3.909 -0.269 19654 4315 1 6 . 1 1 109 109 LEU CA C 109 56.945 56.945 57.967 -1.022 19654 4316 1 6 . 1 1 109 109 LEU CB C 109 39.709 39.709 41.622 -1.913 19654 4317 1 6 . 1 1 109 109 LEU H H 109 8.709 8.709 8.313 0.396 19654 4318 1 6 . 1 1 110 110 LYS N N 110 118.036 118.036 119.208 -1.172 19654 4319 1 6 . 1 1 110 110 LYS HA H 110 3.944 3.944 3.949 -0.005 19654 4320 1 6 . 1 1 110 110 LYS CA C 110 58.967 58.967 59.350 -0.383 19654 4321 1 6 . 1 1 110 110 LYS CB C 110 32.220 32.220 31.886 0.334 19654 4322 1 6 . 1 1 110 110 LYS H H 110 7.752 7.752 8.063 -0.311 19654 4323 1 6 . 1 1 111 111 THR N N 111 115.985 115.985 116.016 -0.031 19654 4324 1 6 . 1 1 111 111 THR HA H 111 3.990 3.990 3.957 0.033 19654 4325 1 6 . 1 1 111 111 THR CA C 111 65.921 65.921 65.638 0.283 19654 4326 1 6 . 1 1 111 111 THR CB C 111 68.611 68.611 68.794 -0.183 19654 4327 1 6 . 1 1 111 111 THR H H 111 7.832 7.832 7.614 0.218 19654 4328 1 6 . 1 1 112 112 ILE N N 112 112.606 112.606 113.845 -1.239 19654 4329 1 6 . 1 1 112 112 ILE HA H 112 4.454 4.454 4.258 0.196 19654 4330 1 6 . 1 1 112 112 ILE CA C 112 60.922 60.922 60.976 -0.054 19654 4331 1 6 . 1 1 112 112 ILE CB C 112 36.813 36.813 37.343 -0.530 19654 4332 1 6 . 1 1 112 112 ILE H H 112 7.262 7.262 7.459 -0.197 19654 4333 1 6 . 1 1 113 113 ASN N N 113 116.297 116.297 115.509 0.788 19654 4334 1 6 . 1 1 113 113 ASN HA H 113 4.576 4.576 4.423 0.153 19654 4335 1 6 . 1 1 113 113 ASN CA C 113 54.653 54.653 54.925 -0.272 19654 4336 1 6 . 1 1 113 113 ASN CB C 113 36.497 36.497 37.250 -0.753 19654 4337 1 6 . 1 1 113 113 ASN H H 113 7.816 7.816 7.812 0.004 19654 4338 1 6 . 1 1 114 114 GLN N N 114 117.958 117.958 117.703 0.255 19654 4339 1 6 . 1 1 114 114 GLN HA H 114 4.739 4.739 4.505 0.234 19654 4340 1 6 . 1 1 114 114 GLN CA C 114 54.079 54.079 54.689 -0.610 19654 4341 1 6 . 1 1 114 114 GLN CB C 114 28.840 28.840 26.880 1.960 19654 4342 1 6 . 1 1 114 114 GLN H H 114 8.522 8.522 8.344 0.178 19654 4343 1 6 . 1 1 115 115 GLU N N 115 120.597 120.597 119.240 1.357 19654 4344 1 6 . 1 1 115 115 GLU HA H 115 3.646 3.646 3.892 -0.246 19654 4345 1 6 . 1 1 115 115 GLU CA C 115 59.569 59.569 59.331 0.238 19654 4346 1 6 . 1 1 115 115 GLU CB C 115 29.061 29.061 29.436 -0.376 19654 4347 1 6 . 1 1 115 115 GLU H H 115 8.881 8.881 7.647 1.234 19654 4348 1 6 . 1 1 116 116 SER N N 116 115.352 115.352 114.685 0.667 19654 4349 1 6 . 1 1 116 116 SER HA H 116 4.250 4.250 4.265 -0.015 19654 4350 1 6 . 1 1 116 116 SER CA C 116 60.593 60.593 60.838 -0.245 19654 4351 1 6 . 1 1 116 116 SER CB C 116 62.231 62.231 62.981 -0.750 19654 4352 1 6 . 1 1 116 116 SER H H 116 8.702 8.702 8.444 0.258 19654 4353 1 6 . 1 1 117 117 SER N N 117 116.944 116.944 119.358 -2.414 19654 4354 1 6 . 1 1 117 117 SER HA H 117 4.461 4.461 4.195 0.266 19654 4355 1 6 . 1 1 117 117 SER CA C 117 60.219 60.219 61.029 -0.810 19654 4356 1 6 . 1 1 117 117 SER CB C 117 64.116 64.116 62.448 1.668 19654 4357 1 6 . 1 1 117 117 SER H H 117 7.963 7.963 7.736 0.227 19654 4358 1 6 . 1 1 118 118 ILE N N 118 122.505 122.505 121.631 0.874 19654 4359 1 6 . 1 1 118 118 ILE HA H 118 3.419 3.419 3.544 -0.125 19654 4360 1 6 . 1 1 118 118 ILE CA C 118 66.227 66.227 65.426 0.801 19654 4361 1 6 . 1 1 118 118 ILE CB C 118 36.723 36.723 37.382 -0.659 19654 4362 1 6 . 1 1 118 118 ILE H H 118 7.945 7.945 7.404 0.541 19654 4363 1 6 . 1 1 119 119 GLU N N 119 119.604 119.604 119.446 0.158 19654 4364 1 6 . 1 1 119 119 GLU HA H 119 4.244 4.244 4.153 0.091 19654 4365 1 6 . 1 1 119 119 GLU CA C 119 61.540 61.540 60.935 0.605 19654 4366 1 6 . 1 1 119 119 GLU CB C 119 26.092 26.092 27.822 -1.730 19654 4367 1 6 . 1 1 119 119 GLU H H 119 8.244 8.244 7.816 0.428 19654 4368 1 6 . 1 1 120 120 PRO HA H 120 4.446 4.446 4.524 -0.078 19654 4369 1 6 . 1 1 120 120 PRO CA C 120 65.583 65.583 65.091 0.492 19654 4370 1 6 . 1 1 120 120 PRO CB C 120 30.167 30.167 31.529 -1.362 19654 4371 1 6 . 1 1 121 121 LEU N N 121 120.974 120.974 120.259 0.715 19654 4372 1 6 . 1 1 121 121 LEU HA H 121 3.990 3.990 4.027 -0.037 19654 4373 1 6 . 1 1 121 121 LEU CA C 121 58.436 58.436 57.533 0.903 19654 4374 1 6 . 1 1 121 121 LEU CB C 121 40.988 40.988 41.721 -0.733 19654 4375 1 6 . 1 1 121 121 LEU H H 121 7.587 7.587 7.856 -0.269 19654 4376 1 6 . 1 1 122 122 ALA N N 122 121.982 121.982 120.575 1.407 19654 4377 1 6 . 1 1 122 122 ALA HA H 122 3.743 3.743 3.879 -0.136 19654 4378 1 6 . 1 1 122 122 ALA CA C 122 55.233 55.233 55.157 0.076 19654 4379 1 6 . 1 1 122 122 ALA CB C 122 17.687 17.687 18.072 -0.385 19654 4380 1 6 . 1 1 122 122 ALA H H 122 8.593 8.593 7.929 0.664 19654 4381 1 6 . 1 1 123 123 GLU N N 123 120.516 120.516 118.090 2.426 19654 4382 1 6 . 1 1 123 123 GLU HA H 123 3.862 3.862 3.993 -0.131 19654 4383 1 6 . 1 1 123 123 GLU CA C 123 59.995 59.995 59.348 0.647 19654 4384 1 6 . 1 1 123 123 GLU CB C 123 29.298 29.298 29.614 -0.316 19654 4385 1 6 . 1 1 123 123 GLU H H 123 8.568 8.568 7.746 0.822 19654 4386 1 6 . 1 1 124 124 SER N N 124 116.054 116.054 116.023 0.031 19654 4387 1 6 . 1 1 124 124 SER HA H 124 4.367 4.367 4.259 0.108 19654 4388 1 6 . 1 1 124 124 SER CA C 124 62.240 62.240 62.205 0.035 19654 4389 1 6 . 1 1 124 124 SER CB C 124 63.074 63.074 62.825 0.249 19654 4390 1 6 . 1 1 124 124 SER H H 124 8.282 8.282 7.836 0.446 19654 4391 1 6 . 1 1 125 125 ILE N N 125 120.575 120.575 123.301 -2.726 19654 4392 1 6 . 1 1 125 125 ILE HA H 125 3.627 3.627 3.840 -0.213 19654 4393 1 6 . 1 1 125 125 ILE CA C 125 64.655 64.655 64.174 0.481 19654 4394 1 6 . 1 1 125 125 ILE CB C 125 37.413 37.413 36.590 0.823 19654 4395 1 6 . 1 1 125 125 ILE H H 125 8.343 8.343 8.167 0.176 19654 4396 1 6 . 1 1 126 126 THR N N 126 116.459 116.459 115.690 0.769 19654 4397 1 6 . 1 1 126 126 THR HA H 126 3.482 3.482 4.044 -0.562 19654 4398 1 6 . 1 1 126 126 THR CA C 126 68.679 68.679 67.093 1.586 19654 4399 1 6 . 1 1 126 126 THR CB C 126 67.075 67.075 68.082 -1.007 19654 4400 1 6 . 1 1 126 126 THR H H 126 8.056 8.056 7.911 0.145 19654 4401 1 6 . 1 1 127 127 ASP N N 127 120.236 120.236 122.394 -2.158 19654 4402 1 6 . 1 1 127 127 ASP HA H 127 4.481 4.481 4.579 -0.098 19654 4403 1 6 . 1 1 127 127 ASP CA C 127 58.322 58.322 57.659 0.663 19654 4404 1 6 . 1 1 127 127 ASP CB C 127 41.822 41.822 40.957 0.865 19654 4405 1 6 . 1 1 127 127 ASP H H 127 8.813 8.813 8.328 0.485 19654 4406 1 6 . 1 1 128 128 VAL N N 128 116.904 116.904 119.353 -2.449 19654 4407 1 6 . 1 1 128 128 VAL HA H 128 3.677 3.677 3.766 -0.089 19654 4408 1 6 . 1 1 128 128 VAL CA C 128 66.346 66.346 66.351 -0.005 19654 4409 1 6 . 1 1 128 128 VAL CB C 128 31.351 31.351 31.406 -0.055 19654 4410 1 6 . 1 1 128 128 VAL H H 128 7.949 7.949 8.229 -0.280 19654 4411 1 6 . 1 1 129 129 LEU N N 129 121.043 121.043 121.442 -0.399 19654 4412 1 6 . 1 1 129 129 LEU HA H 129 3.819 3.819 3.937 -0.118 19654 4413 1 6 . 1 1 129 129 LEU CA C 129 58.742 58.742 58.409 0.333 19654 4414 1 6 . 1 1 129 129 LEU CB C 129 42.370 42.370 41.901 0.469 19654 4415 1 6 . 1 1 129 129 LEU H H 129 8.198 8.198 7.990 0.208 19654 4416 1 6 . 1 1 130 130 VAL N N 130 114.370 114.370 118.067 -3.697 19654 4417 1 6 . 1 1 130 130 VAL HA H 130 3.525 3.525 3.748 -0.223 19654 4418 1 6 . 1 1 130 130 VAL CA C 130 66.004 66.004 66.527 -0.523 19654 4419 1 6 . 1 1 130 130 VAL CB C 130 31.320 31.320 31.601 -0.281 19654 4420 1 6 . 1 1 130 130 VAL H H 130 8.858 8.858 8.130 0.728 19654 4421 1 6 . 1 1 131 131 ARG N N 131 115.890 115.890 119.672 -3.782 19654 4422 1 6 . 1 1 131 131 ARG HA H 131 4.284 4.284 4.049 0.235 19654 4423 1 6 . 1 1 131 131 ARG CA C 131 59.255 59.255 59.235 0.020 19654 4424 1 6 . 1 1 131 131 ARG CB C 131 30.009 30.009 30.409 -0.400 19654 4425 1 6 . 1 1 131 131 ARG H H 131 8.619 8.619 8.342 0.277 19654 4426 1 6 . 1 1 132 132 THR N N 132 106.654 106.654 108.465 -1.811 19654 4427 1 6 . 1 1 132 132 THR HA H 132 4.464 4.464 4.421 0.043 19654 4428 1 6 . 1 1 132 132 THR CA C 132 64.081 64.081 62.747 1.334 19654 4429 1 6 . 1 1 132 132 THR CB C 132 69.870 69.870 70.049 -0.179 19654 4430 1 6 . 1 1 132 132 THR H H 132 7.530 7.530 7.725 -0.195 19654 4431 1 6 . 1 1 133 133 LYS N N 133 117.426 117.426 120.020 -2.594 19654 4432 1 6 . 1 1 133 133 LYS HA H 133 5.029 5.029 4.854 0.175 19654 4433 1 6 . 1 1 133 133 LYS CA C 133 53.009 53.009 54.682 -1.673 19654 4434 1 6 . 1 1 133 133 LYS CB C 133 31.044 31.044 32.656 -1.612 19654 4435 1 6 . 1 1 133 133 LYS H H 133 7.691 7.691 7.811 -0.120 19654 4436 1 6 . 1 1 134 134 ARG N N 134 120.904 120.904 122.285 -1.381 19654 4437 1 6 . 1 1 134 134 ARG HA H 134 3.679 3.679 3.787 -0.108 19654 4438 1 6 . 1 1 134 134 ARG CA C 134 61.456 61.456 61.286 0.170 19654 4439 1 6 . 1 1 134 134 ARG CB C 134 30.261 30.261 30.153 0.108 19654 4440 1 6 . 1 1 134 134 ARG H H 134 7.341 7.341 7.836 -0.495 19654 4441 1 6 . 1 1 135 135 ASP N N 135 114.262 114.262 118.015 -3.753 19654 4442 1 6 . 1 1 135 135 ASP HA H 135 4.238 4.238 4.343 -0.105 19654 4443 1 6 . 1 1 135 135 ASP CA C 135 57.595 57.595 57.720 -0.125 19654 4444 1 6 . 1 1 135 135 ASP CB C 135 39.961 39.961 39.719 0.241 19654 4445 1 6 . 1 1 135 135 ASP H H 135 8.386 8.386 8.884 -0.498 19654 4446 1 6 . 1 1 136 136 TRP N N 136 121.564 121.564 120.103 1.461 19654 4447 1 6 . 1 1 136 136 TRP HA H 136 3.858 3.858 4.293 -0.435 19654 4448 1 6 . 1 1 136 136 TRP CA C 136 62.373 62.373 59.738 2.635 19654 4449 1 6 . 1 1 136 136 TRP CB C 136 28.807 28.807 29.309 -0.502 19654 4450 1 6 . 1 1 136 136 TRP H H 136 7.844 7.844 7.634 0.210 19654 4451 1 6 . 1 1 137 137 LEU N N 137 117.395 117.395 119.319 -1.924 19654 4452 1 6 . 1 1 137 137 LEU HA H 137 3.461 3.461 3.876 -0.415 19654 4453 1 6 . 1 1 137 137 LEU CA C 137 58.325 58.325 58.217 0.108 19654 4454 1 6 . 1 1 137 137 LEU CB C 137 42.979 42.979 41.508 1.472 19654 4455 1 6 . 1 1 137 137 LEU H H 137 8.623 8.623 8.611 0.012 19654 4456 1 6 . 1 1 138 138 VAL N N 138 118.341 118.341 117.951 0.390 19654 4457 1 6 . 1 1 138 138 VAL HA H 138 3.586 3.586 3.721 -0.135 19654 4458 1 6 . 1 1 138 138 VAL CA C 138 66.501 66.501 65.671 0.830 19654 4459 1 6 . 1 1 138 138 VAL CB C 138 31.588 31.588 31.838 -0.250 19654 4460 1 6 . 1 1 138 138 VAL H H 138 8.631 8.631 7.593 1.038 19654 4461 1 6 . 1 1 139 139 LYS N N 139 122.096 122.096 120.231 1.865 19654 4462 1 6 . 1 1 139 139 LYS HA H 139 3.941 3.941 4.037 -0.096 19654 4463 1 6 . 1 1 139 139 LYS CA C 139 58.925 58.925 58.772 0.153 19654 4464 1 6 . 1 1 139 139 LYS CB C 139 31.752 31.752 31.938 -0.186 19654 4465 1 6 . 1 1 139 139 LYS H H 139 7.695 7.695 8.410 -0.715 19654 4466 1 6 . 1 1 140 140 GLN N N 140 115.416 115.416 115.520 -0.104 19654 4467 1 6 . 1 1 140 140 GLN HA H 140 3.970 3.970 4.491 -0.521 19654 4468 1 6 . 1 1 140 140 GLN CA C 140 54.309 54.309 54.274 0.035 19654 4469 1 6 . 1 1 140 140 GLN CB C 140 27.174 27.174 29.436 -2.262 19654 4470 1 6 . 1 1 140 140 GLN H H 140 7.344 7.344 7.917 -0.573 19654 4471 1 6 . 1 1 141 141 ARG N N 141 110.160 110.160 117.721 -7.561 19654 4472 1 6 . 1 1 141 141 ARG HA H 141 3.899 3.899 3.865 0.034 19654 4473 1 6 . 1 1 141 141 ARG CA C 141 57.400 57.400 56.348 1.052 19654 4474 1 6 . 1 1 141 141 ARG CB C 141 25.640 25.640 27.707 -2.067 19654 4475 1 6 . 1 1 141 141 ARG H H 141 7.677 7.677 7.500 0.177 19654 4476 1 6 . 1 1 142 142 GLY N N 142 107.741 107.741 108.815 -1.074 19654 4477 1 6 . 1 1 142 142 GLY CA C 142 45.633 45.633 46.545 -0.912 19654 4478 1 6 . 1 1 142 142 GLY H H 142 8.931 8.931 8.753 0.178 19654 4479 1 6 . 1 1 143 143 TRP N N 143 123.871 123.871 120.316 3.555 19654 4480 1 6 . 1 1 143 143 TRP HA H 143 4.273 4.273 4.288 -0.015 19654 4481 1 6 . 1 1 143 143 TRP CA C 143 59.317 59.317 57.819 1.498 19654 4482 1 6 . 1 1 143 143 TRP CB C 143 28.435 28.435 29.070 -0.635 19654 4483 1 6 . 1 1 143 143 TRP H H 143 9.004 9.004 7.776 1.228 19654 4484 1 6 . 1 1 144 144 ASP N N 144 119.481 119.481 120.396 -0.915 19654 4485 1 6 . 1 1 144 144 ASP HA H 144 4.553 4.553 4.532 0.021 19654 4486 1 6 . 1 1 144 144 ASP CA C 144 57.825 57.825 57.804 0.021 19654 4487 1 6 . 1 1 144 144 ASP CB C 144 40.435 40.435 40.527 -0.092 19654 4488 1 6 . 1 1 144 144 ASP H H 144 8.071 8.071 7.465 0.606 19654 4489 1 6 . 1 1 145 145 GLY N N 145 109.653 109.653 108.201 1.452 19654 4490 1 6 . 1 1 145 145 GLY CA C 145 46.856 46.856 46.845 0.011 19654 4491 1 6 . 1 1 145 145 GLY H H 145 7.493 7.493 8.462 -0.969 19654 4492 1 6 . 1 1 146 146 PHE N N 146 124.053 124.053 121.984 2.069 19654 4493 1 6 . 1 1 146 146 PHE HA H 146 2.455 2.455 3.547 -1.092 19654 4494 1 6 . 1 1 146 146 PHE CA C 146 60.349 60.349 61.394 -1.045 19654 4495 1 6 . 1 1 146 146 PHE CB C 146 38.607 38.607 39.204 -0.597 19654 4496 1 6 . 1 1 146 146 PHE H H 146 7.257 7.257 8.303 -1.046 19654 4497 1 6 . 1 1 147 147 VAL N N 147 116.525 116.525 117.110 -0.585 19654 4498 1 6 . 1 1 147 147 VAL HA H 147 3.298 3.298 3.741 -0.444 19654 4499 1 6 . 1 1 147 147 VAL CA C 147 66.080 66.080 65.790 0.290 19654 4500 1 6 . 1 1 147 147 VAL CB C 147 31.904 31.904 31.335 0.569 19654 4501 1 6 . 1 1 147 147 VAL H H 147 7.700 7.700 7.605 0.095 19654 4502 1 6 . 1 1 148 148 GLU N N 148 118.404 118.404 119.841 -1.437 19654 4503 1 6 . 1 1 148 148 GLU HA H 148 3.985 3.985 4.199 -0.214 19654 4504 1 6 . 1 1 148 148 GLU CA C 148 58.933 58.933 58.798 0.135 19654 4505 1 6 . 1 1 148 148 GLU CB C 148 29.535 29.535 29.075 0.460 19654 4506 1 6 . 1 1 148 148 GLU H H 148 7.801 7.801 7.590 0.211 19654 4507 1 6 . 1 1 149 149 PHE N N 149 120.305 120.305 120.219 0.086 19654 4508 1 6 . 1 1 149 149 PHE HA H 149 3.970 3.970 3.834 0.136 19654 4509 1 6 . 1 1 149 149 PHE CA C 149 61.341 61.341 61.176 0.165 19654 4510 1 6 . 1 1 149 149 PHE CB C 149 39.011 39.011 38.928 0.083 19654 4511 1 6 . 1 1 149 149 PHE H H 149 8.358 8.358 7.952 0.406 19654 4512 1 6 . 1 1 150 150 PHE N N 150 112.582 112.582 111.396 1.186 19654 4513 1 6 . 1 1 150 150 PHE HA H 150 4.255 4.255 4.043 0.212 19654 4514 1 6 . 1 1 150 150 PHE CA C 150 59.075 59.075 58.950 0.125 19654 4515 1 6 . 1 1 150 150 PHE CB C 150 39.487 39.487 38.989 0.498 19654 4516 1 6 . 1 1 150 150 PHE H H 150 6.927 6.927 7.236 -0.309 19654 4517 1 6 . 1 1 151 151 HIS N N 151 118.966 118.966 112.014 6.952 19654 4518 1 6 . 1 1 151 151 HIS HA H 151 4.370 4.370 4.253 0.117 19654 4519 1 6 . 1 1 151 151 HIS CA C 151 56.788 56.788 56.736 0.052 19654 4520 1 6 . 1 1 151 151 HIS CB C 151 28.827 28.827 26.589 2.238 19654 4521 1 6 . 1 1 151 151 HIS H H 151 7.483 7.483 7.272 0.211 19654 4522 1 6 . 1 1 152 152 VAL N N 152 120.499 120.499 116.618 3.881 19654 4523 1 6 . 1 1 152 152 VAL HA H 152 3.950 3.950 3.746 0.204 19654 4524 1 6 . 1 1 152 152 VAL CA C 152 62.110 62.110 66.151 -4.041 19654 4525 1 6 . 1 1 152 152 VAL CB C 152 32.593 32.593 31.788 0.805 19654 4526 1 6 . 1 1 152 152 VAL H H 152 8.103 8.103 7.651 0.452 19654 4527 1 6 . 1 1 153 153 GLU N N 153 123.580 123.580 115.809 7.771 19654 4528 1 6 . 1 1 153 153 GLU HA H 153 4.162 4.162 4.426 -0.264 19654 4529 1 6 . 1 1 153 153 GLU CA C 153 56.433 56.433 56.877 -0.444 19654 4530 1 6 . 1 1 153 153 GLU CB C 153 30.101 30.101 31.460 -1.359 19654 4531 1 6 . 1 1 153 153 GLU H H 153 8.446 8.446 8.220 0.226 19654 4532 1 6 . 1 1 154 154 ASP N N 154 120.964 120.964 123.591 -2.627 19654 4533 1 6 . 1 1 154 154 ASP HA H 154 4.565 4.565 4.735 -0.170 19654 4534 1 6 . 1 1 154 154 ASP CA C 154 54.106 54.106 54.304 -0.198 19654 4535 1 6 . 1 1 154 154 ASP CB C 154 40.836 40.836 39.242 1.594 19654 4536 1 6 . 1 1 154 154 ASP H H 154 8.325 8.325 8.513 -0.188 19654 4537 1 6 . 1 1 155 155 LEU N N 155 122.311 122.311 119.039 3.272 19654 4538 1 6 . 1 1 155 155 LEU HA H 155 4.230 4.230 4.245 -0.015 19654 4539 1 6 . 1 1 155 155 LEU CA C 155 55.340 55.340 57.017 -1.677 19654 4540 1 6 . 1 1 155 155 LEU CB C 155 42.094 42.094 41.013 1.081 19654 4541 1 6 . 1 1 155 155 LEU H H 155 8.210 8.210 7.727 0.483 19654 4542 1 6 . 1 1 156 156 GLU N N 156 120.023 120.023 117.555 2.468 19654 4543 1 6 . 1 1 156 156 GLU HA H 156 4.218 4.218 4.152 0.066 19654 4544 1 6 . 1 1 156 156 GLU CA C 156 56.831 56.831 56.607 0.224 19654 4545 1 6 . 1 1 156 156 GLU CB C 156 29.930 29.930 29.115 0.815 19654 4546 1 6 . 1 1 156 156 GLU H H 156 8.396 8.396 8.212 0.184 19654 4547 1 6 . 1 1 157 157 GLY N N 157 109.371 109.371 108.644 0.727 19654 4548 1 6 . 1 1 157 157 GLY CA C 157 45.327 45.327 44.622 0.705 19654 4549 1 6 . 1 1 157 157 GLY H H 157 8.323 8.323 7.808 0.515 19654 4550 1 6 . 1 1 158 158 GLY N N 158 108.074 108.074 111.424 -3.350 19654 4551 1 6 . 1 1 158 158 GLY CA C 158 45.061 45.061 44.262 0.799 19654 4552 1 6 . 1 1 158 158 GLY H H 158 8.226 8.226 7.696 0.530 19654 4553 1 6 . 1 1 159 159 HIS N N 159 117.875 117.875 121.671 -3.796 19654 4554 1 6 . 1 1 159 159 HIS HA H 159 4.551 4.551 4.241 0.310 19654 4555 1 6 . 1 1 159 159 HIS CA C 159 55.600 55.600 55.853 -0.253 19654 4556 1 6 . 1 1 159 159 HIS CB C 159 29.800 29.800 28.267 1.533 19654 4557 1 6 . 1 1 159 159 HIS H H 159 8.210 8.210 7.795 0.415 19654 4558 1 6 . 1 1 161 161 HIS N N 161 125.094 125.094 119.450 5.644 19654 4559 1 6 . 1 1 161 161 HIS HA H 161 4.585 4.585 4.955 -0.370 19654 4560 1 6 . 1 1 161 161 HIS H H 161 8.162 8.162 8.681 -0.519 19654 4561 1 7 . 1 1 2 2 GLU HA H 2 4.333 4.333 4.482 -0.149 19654 4562 1 7 . 1 1 2 2 GLU CA C 2 56.183 56.183 55.564 0.619 19654 4563 1 7 . 1 1 2 2 GLU CB C 2 30.150 30.150 30.672 -0.522 19654 4564 1 7 . 1 1 3 3 ASP N N 3 122.553 122.553 120.981 1.572 19654 4565 1 7 . 1 1 3 3 ASP HA H 3 4.729 4.729 4.815 -0.086 19654 4566 1 7 . 1 1 3 3 ASP CA C 3 53.659 53.659 53.335 0.324 19654 4567 1 7 . 1 1 3 3 ASP CB C 3 41.319 41.319 43.305 -1.986 19654 4568 1 7 . 1 1 3 3 ASP H H 3 8.437 8.437 8.365 0.072 19654 4569 1 7 . 1 1 4 4 GLU N N 4 125.121 125.121 124.057 1.064 19654 4570 1 7 . 1 1 4 4 GLU HA H 4 4.235 4.235 4.041 0.194 19654 4571 1 7 . 1 1 4 4 GLU CA C 4 58.915 58.915 59.340 -0.425 19654 4572 1 7 . 1 1 4 4 GLU CB C 4 29.274 29.274 29.904 -0.630 19654 4573 1 7 . 1 1 4 4 GLU H H 4 8.726 8.726 8.772 -0.046 19654 4574 1 7 . 1 1 5 5 LEU N N 5 120.976 120.976 119.995 0.981 19654 4575 1 7 . 1 1 5 5 LEU HA H 5 4.517 4.517 4.100 0.417 19654 4576 1 7 . 1 1 5 5 LEU CA C 5 57.939 57.939 57.985 -0.046 19654 4577 1 7 . 1 1 5 5 LEU CB C 5 40.917 40.917 41.823 -0.906 19654 4578 1 7 . 1 1 5 5 LEU H H 5 8.381 8.381 8.669 -0.288 19654 4579 1 7 . 1 1 6 6 TYR N N 6 123.977 123.977 119.271 4.706 19654 4580 1 7 . 1 1 6 6 TYR HA H 6 3.865 3.865 4.160 -0.295 19654 4581 1 7 . 1 1 6 6 TYR CA C 6 62.721 62.721 62.005 0.716 19654 4582 1 7 . 1 1 6 6 TYR CB C 6 38.475 38.475 38.336 0.139 19654 4583 1 7 . 1 1 6 6 TYR H H 6 8.342 8.342 7.443 0.899 19654 4584 1 7 . 1 1 7 7 ARG N N 7 118.301 118.301 117.555 0.746 19654 4585 1 7 . 1 1 7 7 ARG HA H 7 3.828 3.828 3.983 -0.155 19654 4586 1 7 . 1 1 7 7 ARG CA C 7 59.619 59.619 58.511 1.108 19654 4587 1 7 . 1 1 7 7 ARG CB C 7 29.720 29.720 29.127 0.593 19654 4588 1 7 . 1 1 7 7 ARG H H 7 8.452 8.452 8.139 0.313 19654 4589 1 7 . 1 1 8 8 GLN N N 8 119.421 119.421 119.874 -0.453 19654 4590 1 7 . 1 1 8 8 GLN HA H 8 3.944 3.944 3.988 -0.044 19654 4591 1 7 . 1 1 8 8 GLN CA C 8 58.827 58.827 58.842 -0.015 19654 4592 1 7 . 1 1 8 8 GLN CB C 8 28.918 28.918 28.105 0.813 19654 4593 1 7 . 1 1 8 8 GLN H H 8 8.894 8.894 8.537 0.357 19654 4594 1 7 . 1 1 9 9 SER N N 9 113.384 113.384 116.477 -3.093 19654 4595 1 7 . 1 1 9 9 SER HA H 9 4.007 4.007 3.876 0.131 19654 4596 1 7 . 1 1 9 9 SER CA C 9 62.117 62.117 62.090 0.027 19654 4597 1 7 . 1 1 9 9 SER CB C 9 63.544 63.544 63.168 0.376 19654 4598 1 7 . 1 1 9 9 SER H H 9 8.018 8.018 7.977 0.041 19654 4599 1 7 . 1 1 10 10 LEU N N 10 121.112 121.112 123.853 -2.741 19654 4600 1 7 . 1 1 10 10 LEU HA H 10 4.130 4.130 4.083 0.047 19654 4601 1 7 . 1 1 10 10 LEU CA C 10 57.022 57.022 57.464 -0.442 19654 4602 1 7 . 1 1 10 10 LEU CB C 10 41.146 41.146 41.571 -0.425 19654 4603 1 7 . 1 1 10 10 LEU H H 10 8.599 8.599 8.273 0.326 19654 4604 1 7 . 1 1 11 11 GLU N N 11 120.653 120.653 119.784 0.869 19654 4605 1 7 . 1 1 11 11 GLU HA H 11 3.914 3.914 3.947 -0.033 19654 4606 1 7 . 1 1 11 11 GLU CA C 11 59.627 59.627 59.263 0.364 19654 4607 1 7 . 1 1 11 11 GLU CB C 11 29.298 29.298 29.154 0.144 19654 4608 1 7 . 1 1 11 11 GLU H H 11 7.806 7.806 8.028 -0.222 19654 4609 1 7 . 1 1 12 12 ILE N N 12 117.297 117.297 119.267 -1.970 19654 4610 1 7 . 1 1 12 12 ILE HA H 12 3.121 3.121 3.549 -0.428 19654 4611 1 7 . 1 1 12 12 ILE CA C 12 65.774 65.774 65.499 0.275 19654 4612 1 7 . 1 1 12 12 ILE CB C 12 39.143 39.143 37.659 1.484 19654 4613 1 7 . 1 1 12 12 ILE H H 12 7.401 7.401 7.337 0.064 19654 4614 1 7 . 1 1 13 13 ILE N N 13 117.560 117.560 118.892 -1.332 19654 4615 1 7 . 1 1 13 13 ILE HA H 13 3.302 3.302 3.543 -0.241 19654 4616 1 7 . 1 1 13 13 ILE CA C 13 66.420 66.420 65.629 0.791 19654 4617 1 7 . 1 1 13 13 ILE CB C 13 37.714 37.714 37.485 0.229 19654 4618 1 7 . 1 1 13 13 ILE H H 13 8.378 8.378 8.163 0.215 19654 4619 1 7 . 1 1 14 14 SER N N 14 113.892 113.892 116.409 -2.517 19654 4620 1 7 . 1 1 14 14 SER HA H 14 3.889 3.889 3.960 -0.071 19654 4621 1 7 . 1 1 14 14 SER CA C 14 62.310 62.310 61.948 0.362 19654 4622 1 7 . 1 1 14 14 SER CB C 14 62.282 62.282 63.037 -0.755 19654 4623 1 7 . 1 1 14 14 SER H H 14 9.048 9.048 8.400 0.648 19654 4624 1 7 . 1 1 15 15 ARG N N 15 118.890 118.890 120.479 -1.589 19654 4625 1 7 . 1 1 15 15 ARG HA H 15 4.033 4.033 3.974 0.059 19654 4626 1 7 . 1 1 15 15 ARG CA C 15 59.496 59.496 59.423 0.073 19654 4627 1 7 . 1 1 15 15 ARG CB C 15 29.727 29.727 30.122 -0.395 19654 4628 1 7 . 1 1 15 15 ARG H H 15 7.655 7.655 7.662 -0.007 19654 4629 1 7 . 1 1 16 16 TYR N N 16 119.757 119.757 121.989 -2.232 19654 4630 1 7 . 1 1 16 16 TYR HA H 16 4.146 4.146 4.221 -0.075 19654 4631 1 7 . 1 1 16 16 TYR CA C 16 61.265 61.265 61.464 -0.199 19654 4632 1 7 . 1 1 16 16 TYR CB C 16 38.495 38.495 38.293 0.202 19654 4633 1 7 . 1 1 16 16 TYR H H 16 8.351 8.351 7.865 0.486 19654 4634 1 7 . 1 1 17 17 LEU N N 17 118.494 118.494 119.171 -0.677 19654 4635 1 7 . 1 1 17 17 LEU HA H 17 3.375 3.375 3.807 -0.431 19654 4636 1 7 . 1 1 17 17 LEU CA C 17 59.627 59.627 58.222 1.405 19654 4637 1 7 . 1 1 17 17 LEU CB C 17 39.949 39.949 41.130 -1.181 19654 4638 1 7 . 1 1 17 17 LEU H H 17 8.578 8.578 8.446 0.132 19654 4639 1 7 . 1 1 18 18 ARG N N 18 115.962 115.962 118.858 -2.896 19654 4640 1 7 . 1 1 18 18 ARG HA H 18 3.858 3.858 3.955 -0.097 19654 4641 1 7 . 1 1 18 18 ARG CA C 18 60.233 60.233 58.764 1.469 19654 4642 1 7 . 1 1 18 18 ARG CB C 18 29.993 29.993 29.551 0.442 19654 4643 1 7 . 1 1 18 18 ARG H H 18 8.044 8.044 8.281 -0.237 19654 4644 1 7 . 1 1 19 19 GLU N N 19 120.998 120.998 120.151 0.847 19654 4645 1 7 . 1 1 19 19 GLU HA H 19 4.153 4.153 4.335 -0.181 19654 4646 1 7 . 1 1 19 19 GLU CA C 19 58.857 58.857 58.803 0.054 19654 4647 1 7 . 1 1 19 19 GLU CB C 19 29.661 29.661 28.988 0.673 19654 4648 1 7 . 1 1 19 19 GLU H H 19 8.268 8.268 8.644 -0.376 19654 4649 1 7 . 1 1 20 20 GLN N N 20 119.903 119.903 117.838 2.065 19654 4650 1 7 . 1 1 20 20 GLN HA H 20 3.715 3.715 4.001 -0.286 19654 4651 1 7 . 1 1 20 20 GLN CA C 20 58.008 58.008 57.682 0.326 19654 4652 1 7 . 1 1 20 20 GLN CB C 20 28.666 28.666 27.894 0.772 19654 4653 1 7 . 1 1 20 20 GLN H H 20 8.193 8.193 8.009 0.184 19654 4654 1 7 . 1 1 21 21 ALA N N 21 117.771 117.771 119.881 -2.110 19654 4655 1 7 . 1 1 21 21 ALA HA H 21 3.985 3.985 4.100 -0.115 19654 4656 1 7 . 1 1 21 21 ALA CA C 21 54.397 54.397 54.334 0.063 19654 4657 1 7 . 1 1 21 21 ALA CB C 21 20.022 20.022 19.072 0.950 19654 4658 1 7 . 1 1 21 21 ALA H H 21 7.883 7.883 7.501 0.382 19654 4659 1 7 . 1 1 22 22 THR N N 22 103.721 103.721 107.589 -3.868 19654 4660 1 7 . 1 1 22 22 THR HA H 22 4.279 4.279 4.231 0.048 19654 4661 1 7 . 1 1 22 22 THR CA C 22 62.357 62.357 63.000 -0.643 19654 4662 1 7 . 1 1 22 22 THR CB C 22 71.071 71.071 70.293 0.778 19654 4663 1 7 . 1 1 22 22 THR H H 22 8.024 8.024 7.874 0.150 19654 4664 1 7 . 1 1 23 23 GLY N N 23 111.610 111.610 111.000 0.610 19654 4665 1 7 . 1 1 23 23 GLY CA C 23 45.574 45.574 45.102 0.472 19654 4666 1 7 . 1 1 23 23 GLY H H 23 8.155 8.155 8.152 0.003 19654 4667 1 7 . 1 1 24 24 ALA N N 24 123.004 123.004 122.832 0.172 19654 4668 1 7 . 1 1 24 24 ALA HA H 24 4.526 4.526 4.667 -0.141 19654 4669 1 7 . 1 1 24 24 ALA CA C 24 50.763 50.763 51.649 -0.886 19654 4670 1 7 . 1 1 24 24 ALA CB C 24 20.186 20.186 21.073 -0.887 19654 4671 1 7 . 1 1 24 24 ALA H H 24 7.763 7.763 7.532 0.231 19654 4672 1 7 . 1 1 25 25 LYS N N 25 121.392 121.392 123.055 -1.663 19654 4673 1 7 . 1 1 25 25 LYS HA H 25 4.181 4.181 4.512 -0.331 19654 4674 1 7 . 1 1 25 25 LYS CA C 25 55.729 55.729 55.291 0.438 19654 4675 1 7 . 1 1 25 25 LYS CB C 25 33.175 33.175 33.499 -0.324 19654 4676 1 7 . 1 1 25 25 LYS H H 25 8.349 8.349 8.192 0.157 19654 4677 1 7 . 1 1 26 26 ASP N N 26 124.433 124.433 120.747 3.686 19654 4678 1 7 . 1 1 26 26 ASP HA H 26 4.618 4.618 4.694 -0.076 19654 4679 1 7 . 1 1 26 26 ASP CA C 26 53.735 53.735 53.337 0.398 19654 4680 1 7 . 1 1 26 26 ASP CB C 26 41.402 41.402 42.132 -0.730 19654 4681 1 7 . 1 1 26 26 ASP H H 26 8.803 8.803 8.291 0.512 19654 4682 1 7 . 1 1 27 27 THR N N 27 116.332 116.332 112.962 3.370 19654 4683 1 7 . 1 1 27 27 THR HA H 27 4.249 4.249 4.456 -0.207 19654 4684 1 7 . 1 1 27 27 THR CA C 27 61.268 61.268 61.618 -0.350 19654 4685 1 7 . 1 1 27 27 THR CB C 27 68.993 68.993 69.352 -0.359 19654 4686 1 7 . 1 1 27 27 THR H H 27 8.363 8.363 8.325 0.038 19654 4687 1 7 . 1 1 28 28 LYS N N 28 125.551 125.551 123.490 2.061 19654 4688 1 7 . 1 1 28 28 LYS HA H 28 4.437 4.437 4.438 -0.001 19654 4689 1 7 . 1 1 28 28 LYS CA C 28 55.188 55.188 55.121 0.067 19654 4690 1 7 . 1 1 28 28 LYS CB C 28 31.409 31.409 31.751 -0.342 19654 4691 1 7 . 1 1 28 28 LYS H H 28 8.346 8.346 7.930 0.416 19654 4692 1 7 . 1 1 29 29 PRO HA H 29 4.392 4.392 4.305 0.087 19654 4693 1 7 . 1 1 29 29 PRO CA C 29 63.164 63.164 63.701 -0.537 19654 4694 1 7 . 1 1 29 29 PRO CB C 29 31.904 31.904 31.859 0.045 19654 4695 1 7 . 1 1 30 30 MET N N 30 121.136 121.136 123.804 -2.668 19654 4696 1 7 . 1 1 30 30 MET HA H 30 4.381 4.381 4.345 0.036 19654 4697 1 7 . 1 1 30 30 MET CA C 30 55.229 55.229 54.757 0.472 19654 4698 1 7 . 1 1 30 30 MET CB C 30 33.819 33.819 33.485 0.334 19654 4699 1 7 . 1 1 30 30 MET H H 30 8.585 8.585 8.265 0.320 19654 4700 1 7 . 1 1 31 31 GLY N N 31 109.849 109.849 113.048 -3.199 19654 4701 1 7 . 1 1 31 31 GLY CA C 31 44.983 44.983 46.755 -1.772 19654 4702 1 7 . 1 1 31 31 GLY H H 31 8.930 8.930 8.541 0.389 19654 4703 1 7 . 1 1 32 32 ARG N N 32 121.001 121.001 120.514 0.487 19654 4704 1 7 . 1 1 32 32 ARG HA H 32 4.239 4.239 4.378 -0.139 19654 4705 1 7 . 1 1 32 32 ARG CA C 32 56.755 56.755 55.861 0.895 19654 4706 1 7 . 1 1 32 32 ARG CB C 32 30.110 30.110 30.029 0.081 19654 4707 1 7 . 1 1 32 32 ARG H H 32 8.447 8.447 8.266 0.181 19654 4708 1 7 . 1 1 33 33 SER N N 33 119.991 119.991 115.135 4.856 19654 4709 1 7 . 1 1 33 33 SER HA H 33 4.386 4.386 4.572 -0.186 19654 4710 1 7 . 1 1 33 33 SER CA C 33 58.502 58.502 58.047 0.455 19654 4711 1 7 . 1 1 33 33 SER CB C 33 62.609 62.609 64.078 -1.469 19654 4712 1 7 . 1 1 33 33 SER H H 33 8.667 8.667 7.964 0.703 19654 4713 1 7 . 1 1 34 34 GLY N N 34 108.582 108.582 108.730 -0.148 19654 4714 1 7 . 1 1 34 34 GLY CA C 34 46.637 46.637 45.657 0.980 19654 4715 1 7 . 1 1 34 34 GLY H H 34 8.216 8.216 8.464 -0.248 19654 4716 1 7 . 1 1 35 35 ALA N N 35 123.445 123.445 124.235 -0.790 19654 4717 1 7 . 1 1 35 35 ALA HA H 35 4.193 4.193 4.200 -0.007 19654 4718 1 7 . 1 1 35 35 ALA CA C 35 54.770 54.770 55.233 -0.464 19654 4719 1 7 . 1 1 35 35 ALA CB C 35 18.437 18.437 18.430 0.007 19654 4720 1 7 . 1 1 35 35 ALA H H 35 8.506 8.506 8.480 0.026 19654 4721 1 7 . 1 1 36 36 THR N N 36 115.716 115.716 115.119 0.597 19654 4722 1 7 . 1 1 36 36 THR HA H 36 3.919 3.919 3.968 -0.049 19654 4723 1 7 . 1 1 36 36 THR CA C 36 67.249 67.249 66.872 0.377 19654 4724 1 7 . 1 1 36 36 THR CB C 36 68.225 68.225 68.600 -0.375 19654 4725 1 7 . 1 1 36 36 THR H H 36 8.262 8.262 8.382 -0.120 19654 4726 1 7 . 1 1 37 37 SER N N 37 117.911 117.911 117.087 0.824 19654 4727 1 7 . 1 1 37 37 SER HA H 37 3.869 3.869 3.985 -0.116 19654 4728 1 7 . 1 1 37 37 SER CA C 37 62.333 62.333 60.868 1.465 19654 4729 1 7 . 1 1 37 37 SER CB C 37 62.333 62.333 62.577 -0.244 19654 4730 1 7 . 1 1 37 37 SER H H 37 8.389 8.389 8.144 0.245 19654 4731 1 7 . 1 1 38 38 ARG N N 38 120.924 120.924 123.116 -2.192 19654 4732 1 7 . 1 1 38 38 ARG HA H 38 3.901 3.901 4.069 -0.168 19654 4733 1 7 . 1 1 38 38 ARG CA C 38 59.923 59.923 58.949 0.974 19654 4734 1 7 . 1 1 38 38 ARG CB C 38 29.759 29.759 30.388 -0.629 19654 4735 1 7 . 1 1 38 38 ARG H H 38 8.278 8.278 7.828 0.450 19654 4736 1 7 . 1 1 39 39 LYS N N 39 119.172 119.172 118.932 0.240 19654 4737 1 7 . 1 1 39 39 LYS HA H 39 4.151 4.151 4.121 0.030 19654 4738 1 7 . 1 1 39 39 LYS CA C 39 59.086 59.086 59.184 -0.098 19654 4739 1 7 . 1 1 39 39 LYS CB C 39 32.807 32.807 31.981 0.826 19654 4740 1 7 . 1 1 39 39 LYS H H 39 7.930 7.930 8.360 -0.430 19654 4741 1 7 . 1 1 40 40 ALA N N 40 125.586 125.586 123.960 1.626 19654 4742 1 7 . 1 1 40 40 ALA HA H 40 4.175 4.175 4.295 -0.120 19654 4743 1 7 . 1 1 40 40 ALA CA C 40 55.633 55.633 55.166 0.467 19654 4744 1 7 . 1 1 40 40 ALA CB C 40 18.675 18.675 18.418 0.257 19654 4745 1 7 . 1 1 40 40 ALA H H 40 9.192 9.192 8.125 1.067 19654 4746 1 7 . 1 1 41 41 LEU N N 41 120.080 120.080 120.130 -0.050 19654 4747 1 7 . 1 1 41 41 LEU HA H 41 3.930 3.930 3.897 0.034 19654 4748 1 7 . 1 1 41 41 LEU CA C 41 58.169 58.169 58.089 0.080 19654 4749 1 7 . 1 1 41 41 LEU CB C 41 41.683 41.683 41.570 0.113 19654 4750 1 7 . 1 1 41 41 LEU H H 41 8.209 8.209 7.683 0.526 19654 4751 1 7 . 1 1 42 42 GLU N N 42 117.875 117.875 118.477 -0.602 19654 4752 1 7 . 1 1 42 42 GLU HA H 42 3.977 3.977 4.027 -0.050 19654 4753 1 7 . 1 1 42 42 GLU CA C 42 59.335 59.335 59.397 -0.062 19654 4754 1 7 . 1 1 42 42 GLU CB C 42 29.176 29.176 29.270 -0.094 19654 4755 1 7 . 1 1 42 42 GLU H H 42 8.197 8.197 8.704 -0.507 19654 4756 1 7 . 1 1 43 43 THR N N 43 116.912 116.912 117.310 -0.398 19654 4757 1 7 . 1 1 43 43 THR HA H 43 3.793 3.793 4.051 -0.258 19654 4758 1 7 . 1 1 43 43 THR CA C 43 67.517 67.517 67.156 0.361 19654 4759 1 7 . 1 1 43 43 THR CB C 43 68.089 68.089 68.695 -0.606 19654 4760 1 7 . 1 1 43 43 THR H H 43 8.183 8.183 8.029 0.154 19654 4761 1 7 . 1 1 44 44 LEU N N 44 123.099 123.099 121.866 1.233 19654 4762 1 7 . 1 1 44 44 LEU HA H 44 3.699 3.699 3.969 -0.270 19654 4763 1 7 . 1 1 44 44 LEU CA C 44 58.261 58.261 58.245 0.016 19654 4764 1 7 . 1 1 44 44 LEU CB C 44 40.988 40.988 41.459 -0.471 19654 4765 1 7 . 1 1 44 44 LEU H H 44 8.509 8.509 8.550 -0.041 19654 4766 1 7 . 1 1 45 45 ARG N N 45 116.885 116.885 116.786 0.099 19654 4767 1 7 . 1 1 45 45 ARG HA H 45 4.125 4.125 4.428 -0.303 19654 4768 1 7 . 1 1 45 45 ARG CA C 45 59.617 59.617 58.774 0.843 19654 4769 1 7 . 1 1 45 45 ARG CB C 45 30.423 30.423 29.735 0.688 19654 4770 1 7 . 1 1 45 45 ARG H H 45 8.398 8.398 8.152 0.246 19654 4771 1 7 . 1 1 46 46 ARG N N 46 117.297 117.297 121.299 -4.002 19654 4772 1 7 . 1 1 46 46 ARG HA H 46 4.229 4.229 4.132 0.097 19654 4773 1 7 . 1 1 46 46 ARG CA C 46 58.427 58.427 58.776 -0.349 19654 4774 1 7 . 1 1 46 46 ARG CB C 46 30.408 30.408 29.869 0.539 19654 4775 1 7 . 1 1 46 46 ARG H H 46 7.421 7.421 7.720 -0.299 19654 4776 1 7 . 1 1 47 47 VAL N N 47 114.304 114.304 112.895 1.409 19654 4777 1 7 . 1 1 47 47 VAL HA H 47 4.094 4.094 4.111 -0.017 19654 4778 1 7 . 1 1 47 47 VAL CA C 47 63.242 63.242 64.233 -0.991 19654 4779 1 7 . 1 1 47 47 VAL CB C 47 32.378 32.378 31.533 0.845 19654 4780 1 7 . 1 1 47 47 VAL H H 47 8.515 8.515 8.063 0.452 19654 4781 1 7 . 1 1 48 48 GLY N N 48 110.132 110.132 109.573 0.559 19654 4782 1 7 . 1 1 48 48 GLY CA C 48 46.588 46.588 47.690 -1.102 19654 4783 1 7 . 1 1 48 48 GLY H H 48 8.890 8.890 8.680 0.210 19654 4784 1 7 . 1 1 49 49 ASP N N 49 121.292 121.292 122.623 -1.331 19654 4785 1 7 . 1 1 49 49 ASP HA H 49 4.456 4.456 4.368 0.088 19654 4786 1 7 . 1 1 49 49 ASP CA C 49 57.787 57.787 58.001 -0.214 19654 4787 1 7 . 1 1 49 49 ASP CB C 49 40.912 40.912 40.697 0.215 19654 4788 1 7 . 1 1 49 49 ASP H H 49 7.392 7.392 8.028 -0.636 19654 4789 1 7 . 1 1 50 50 GLY N N 50 106.682 106.682 107.455 -0.773 19654 4790 1 7 . 1 1 50 50 GLY CA C 50 46.932 46.932 47.311 -0.379 19654 4791 1 7 . 1 1 50 50 GLY H H 50 8.132 8.132 7.970 0.162 19654 4792 1 7 . 1 1 51 51 VAL N N 51 121.747 121.747 122.767 -1.020 19654 4793 1 7 . 1 1 51 51 VAL HA H 51 3.944 3.944 3.732 0.212 19654 4794 1 7 . 1 1 51 51 VAL CA C 51 66.355 66.355 66.428 -0.073 19654 4795 1 7 . 1 1 51 51 VAL CB C 51 31.594 31.594 31.571 0.023 19654 4796 1 7 . 1 1 51 51 VAL H H 51 7.476 7.476 8.069 -0.593 19654 4797 1 7 . 1 1 52 52 GLN N N 52 118.494 118.494 118.618 -0.124 19654 4798 1 7 . 1 1 52 52 GLN HA H 52 3.913 3.913 4.097 -0.184 19654 4799 1 7 . 1 1 52 52 GLN CA C 52 60.391 60.391 59.171 1.220 19654 4800 1 7 . 1 1 52 52 GLN CB C 52 29.682 29.682 28.575 1.107 19654 4801 1 7 . 1 1 52 52 GLN H H 52 8.439 8.439 8.555 -0.115 19654 4802 1 7 . 1 1 53 53 ARG N N 53 116.807 116.807 118.726 -1.919 19654 4803 1 7 . 1 1 53 53 ARG HA H 53 4.163 4.163 4.146 0.017 19654 4804 1 7 . 1 1 53 53 ARG CA C 53 59.086 59.086 58.430 0.656 19654 4805 1 7 . 1 1 53 53 ARG CB C 53 30.009 30.009 29.798 0.211 19654 4806 1 7 . 1 1 53 53 ARG H H 53 7.873 7.873 8.113 -0.240 19654 4807 1 7 . 1 1 54 54 ASN N N 54 116.356 116.356 117.132 -0.776 19654 4808 1 7 . 1 1 54 54 ASN HA H 54 4.448 4.448 4.716 -0.268 19654 4809 1 7 . 1 1 54 54 ASN CA C 54 54.694 54.694 55.301 -0.607 19654 4810 1 7 . 1 1 54 54 ASN CB C 54 38.302 38.302 38.959 -0.657 19654 4811 1 7 . 1 1 54 54 ASN H H 54 8.123 8.123 7.724 0.399 19654 4812 1 7 . 1 1 55 55 HIS N N 55 114.809 114.809 118.512 -3.703 19654 4813 1 7 . 1 1 55 55 HIS HA H 55 4.504 4.504 4.160 0.344 19654 4814 1 7 . 1 1 55 55 HIS CA C 55 55.949 55.949 58.338 -2.389 19654 4815 1 7 . 1 1 55 55 HIS CB C 55 28.341 28.341 29.947 -1.606 19654 4816 1 7 . 1 1 55 55 HIS H H 55 7.558 7.558 8.705 -1.147 19654 4817 1 7 . 1 1 56 56 GLU N N 56 121.943 121.943 120.353 1.590 19654 4818 1 7 . 1 1 56 56 GLU HA H 56 3.640 3.640 3.687 -0.047 19654 4819 1 7 . 1 1 56 56 GLU CA C 56 61.360 61.360 59.927 1.433 19654 4820 1 7 . 1 1 56 56 GLU CB C 56 30.006 30.006 29.210 0.796 19654 4821 1 7 . 1 1 56 56 GLU H H 56 7.071 7.071 7.848 -0.777 19654 4822 1 7 . 1 1 57 57 THR N N 57 112.827 112.827 113.667 -0.840 19654 4823 1 7 . 1 1 57 57 THR HA H 57 3.984 3.984 4.053 -0.069 19654 4824 1 7 . 1 1 57 57 THR CA C 57 66.247 66.247 65.528 0.719 19654 4825 1 7 . 1 1 57 57 THR CB C 57 68.002 68.002 68.513 -0.511 19654 4826 1 7 . 1 1 57 57 THR H H 57 8.324 8.324 8.158 0.166 19654 4827 1 7 . 1 1 58 58 ALA N N 58 126.520 126.520 123.567 2.953 19654 4828 1 7 . 1 1 58 58 ALA HA H 58 4.147 4.147 4.076 0.071 19654 4829 1 7 . 1 1 58 58 ALA CA C 58 54.707 54.707 54.499 0.208 19654 4830 1 7 . 1 1 58 58 ALA CB C 58 17.734 17.734 17.988 -0.254 19654 4831 1 7 . 1 1 58 58 ALA H H 58 7.910 7.910 7.158 0.752 19654 4832 1 7 . 1 1 59 59 PHE N N 59 119.326 119.326 117.974 1.352 19654 4833 1 7 . 1 1 59 59 PHE HA H 59 4.518 4.518 4.126 0.392 19654 4834 1 7 . 1 1 59 59 PHE CA C 59 56.946 56.946 59.366 -2.420 19654 4835 1 7 . 1 1 59 59 PHE CB C 59 34.583 34.583 37.759 -3.176 19654 4836 1 7 . 1 1 59 59 PHE H H 59 9.017 9.017 8.106 0.911 19654 4837 1 7 . 1 1 60 60 GLN N N 60 119.670 119.670 118.638 1.032 19654 4838 1 7 . 1 1 60 60 GLN HA H 60 4.232 4.232 4.178 0.054 19654 4839 1 7 . 1 1 60 60 GLN CA C 60 59.359 59.359 59.492 -0.133 19654 4840 1 7 . 1 1 60 60 GLN CB C 60 28.009 28.009 27.983 0.026 19654 4841 1 7 . 1 1 60 60 GLN H H 60 8.678 8.678 8.745 -0.067 19654 4842 1 7 . 1 1 61 61 GLY N N 61 106.140 106.140 105.291 0.849 19654 4843 1 7 . 1 1 61 61 GLY CA C 61 47.085 47.085 46.752 0.334 19654 4844 1 7 . 1 1 61 61 GLY H H 61 7.975 7.975 7.847 0.128 19654 4845 1 7 . 1 1 62 62 MET N N 62 120.973 120.973 118.729 2.244 19654 4846 1 7 . 1 1 62 62 MET HA H 62 4.080 4.080 4.518 -0.438 19654 4847 1 7 . 1 1 62 62 MET CA C 62 58.752 58.752 57.172 1.579 19654 4848 1 7 . 1 1 62 62 MET CB C 62 33.824 33.824 33.282 0.542 19654 4849 1 7 . 1 1 62 62 MET H H 62 8.007 8.007 7.593 0.414 19654 4850 1 7 . 1 1 63 63 LEU N N 63 119.043 119.043 122.837 -3.794 19654 4851 1 7 . 1 1 63 63 LEU HA H 63 4.139 4.139 4.088 0.051 19654 4852 1 7 . 1 1 63 63 LEU CA C 63 57.645 57.645 57.707 -0.062 19654 4853 1 7 . 1 1 63 63 LEU CB C 63 42.173 42.173 41.701 0.472 19654 4854 1 7 . 1 1 63 63 LEU H H 63 8.394 8.394 8.876 -0.482 19654 4855 1 7 . 1 1 64 64 ARG N N 64 117.294 117.294 116.660 0.634 19654 4856 1 7 . 1 1 64 64 ARG HA H 64 4.090 4.090 4.157 -0.067 19654 4857 1 7 . 1 1 64 64 ARG CA C 64 58.551 58.551 58.151 0.400 19654 4858 1 7 . 1 1 64 64 ARG CB C 64 29.772 29.772 30.229 -0.457 19654 4859 1 7 . 1 1 64 64 ARG H H 64 7.912 7.912 7.918 -0.006 19654 4860 1 7 . 1 1 65 65 LYS N N 65 116.840 116.840 116.865 -0.025 19654 4861 1 7 . 1 1 65 65 LYS HA H 65 4.165 4.165 4.450 -0.285 19654 4862 1 7 . 1 1 65 65 LYS CA C 65 57.175 57.175 56.672 0.502 19654 4863 1 7 . 1 1 65 65 LYS CB C 65 32.299 32.299 32.414 -0.115 19654 4864 1 7 . 1 1 65 65 LYS H H 65 7.506 7.506 7.677 -0.171 19654 4865 1 7 . 1 1 66 66 LEU N N 66 119.257 119.257 119.587 -0.330 19654 4866 1 7 . 1 1 66 66 LEU HA H 66 4.232 4.232 4.428 -0.196 19654 4867 1 7 . 1 1 66 66 LEU CA C 66 55.442 55.442 55.350 0.092 19654 4868 1 7 . 1 1 66 66 LEU CB C 66 43.042 43.042 43.462 -0.419 19654 4869 1 7 . 1 1 66 66 LEU H H 66 7.736 7.736 7.514 0.222 19654 4870 1 7 . 1 1 67 67 ASP N N 67 119.743 119.743 118.461 1.282 19654 4871 1 7 . 1 1 67 67 ASP HA H 67 4.457 4.457 4.332 0.125 19654 4872 1 7 . 1 1 67 67 ASP CA C 67 53.850 53.850 55.094 -1.244 19654 4873 1 7 . 1 1 67 67 ASP CB C 67 40.195 40.195 40.109 0.086 19654 4874 1 7 . 1 1 67 67 ASP H H 67 8.068 8.068 7.904 0.164 19654 4875 1 7 . 1 1 68 68 ILE N N 68 120.055 120.055 120.778 -0.723 19654 4876 1 7 . 1 1 68 68 ILE HA H 68 3.870 3.870 3.954 -0.084 19654 4877 1 7 . 1 1 68 68 ILE CA C 68 61.524 61.524 61.716 -0.192 19654 4878 1 7 . 1 1 68 68 ILE CB C 68 37.986 37.986 36.784 1.202 19654 4879 1 7 . 1 1 68 68 ILE H H 68 8.275 8.275 8.409 -0.134 19654 4880 1 7 . 1 1 69 69 LYS N N 69 126.186 126.186 125.864 0.322 19654 4881 1 7 . 1 1 69 69 LYS HA H 69 4.481 4.481 4.354 0.127 19654 4882 1 7 . 1 1 69 69 LYS CA C 69 56.304 56.304 55.845 0.459 19654 4883 1 7 . 1 1 69 69 LYS CB C 69 34.136 34.136 33.451 0.685 19654 4884 1 7 . 1 1 69 69 LYS H H 69 9.722 9.722 8.764 0.958 19654 4885 1 7 . 1 1 70 70 ASN N N 70 115.056 115.056 115.193 -0.137 19654 4886 1 7 . 1 1 70 70 ASN HA H 70 4.700 4.700 4.750 -0.050 19654 4887 1 7 . 1 1 70 70 ASN CA C 70 51.977 51.977 52.123 -0.146 19654 4888 1 7 . 1 1 70 70 ASN CB C 70 39.474 39.474 39.088 0.386 19654 4889 1 7 . 1 1 70 70 ASN H H 70 7.959 7.959 8.115 -0.156 19654 4890 1 7 . 1 1 71 71 GLU N N 71 118.214 118.214 121.083 -2.869 19654 4891 1 7 . 1 1 71 71 GLU HA H 71 3.967 3.967 3.853 0.114 19654 4892 1 7 . 1 1 71 71 GLU CA C 71 59.354 59.354 60.085 -0.731 19654 4893 1 7 . 1 1 71 71 GLU CB C 71 29.520 29.520 29.604 -0.084 19654 4894 1 7 . 1 1 71 71 GLU H H 71 8.831 8.831 8.905 -0.074 19654 4895 1 7 . 1 1 72 72 ASP N N 72 120.319 120.319 117.764 2.555 19654 4896 1 7 . 1 1 72 72 ASP HA H 72 4.422 4.422 4.336 0.086 19654 4897 1 7 . 1 1 72 72 ASP CA C 72 57.036 57.036 57.422 -0.386 19654 4898 1 7 . 1 1 72 72 ASP CB C 72 39.945 39.945 40.613 -0.668 19654 4899 1 7 . 1 1 72 72 ASP H H 72 8.167 8.167 8.038 0.129 19654 4900 1 7 . 1 1 73 73 ASP N N 73 119.793 119.793 118.937 0.856 19654 4901 1 7 . 1 1 73 73 ASP HA H 73 4.521 4.521 4.490 0.031 19654 4902 1 7 . 1 1 73 73 ASP CA C 73 56.337 56.337 57.124 -0.787 19654 4903 1 7 . 1 1 73 73 ASP CB C 73 41.927 41.927 40.760 1.167 19654 4904 1 7 . 1 1 73 73 ASP H H 73 8.153 8.153 8.095 0.058 19654 4905 1 7 . 1 1 74 74 VAL N N 74 117.572 117.572 121.011 -3.439 19654 4906 1 7 . 1 1 74 74 VAL HA H 74 3.714 3.714 3.618 0.096 19654 4907 1 7 . 1 1 74 74 VAL CA C 74 65.498 65.498 66.607 -1.109 19654 4908 1 7 . 1 1 74 74 VAL CB C 74 31.077 31.077 31.494 -0.417 19654 4909 1 7 . 1 1 74 74 VAL H H 74 7.629 7.629 7.404 0.225 19654 4910 1 7 . 1 1 75 75 LYS N N 75 119.403 119.403 119.090 0.313 19654 4911 1 7 . 1 1 75 75 LYS HA H 75 4.154 4.154 3.993 0.161 19654 4912 1 7 . 1 1 75 75 LYS CA C 75 59.034 59.034 59.743 -0.709 19654 4913 1 7 . 1 1 75 75 LYS CB C 75 31.909 31.909 31.946 -0.037 19654 4914 1 7 . 1 1 75 75 LYS H H 75 7.961 7.961 8.045 -0.084 19654 4915 1 7 . 1 1 76 76 SER N N 76 114.355 114.355 115.992 -1.637 19654 4916 1 7 . 1 1 76 76 SER HA H 76 4.453 4.453 4.255 0.198 19654 4917 1 7 . 1 1 76 76 SER CA C 76 60.061 60.061 61.131 -1.070 19654 4918 1 7 . 1 1 76 76 SER CB C 76 63.023 63.023 63.021 0.002 19654 4919 1 7 . 1 1 76 76 SER H H 76 7.919 7.919 7.652 0.267 19654 4920 1 7 . 1 1 77 77 LEU N N 77 121.954 121.954 121.755 0.199 19654 4921 1 7 . 1 1 77 77 LEU HA H 77 4.230 4.230 4.057 0.173 19654 4922 1 7 . 1 1 77 77 LEU CA C 77 56.764 56.764 57.590 -0.827 19654 4923 1 7 . 1 1 77 77 LEU CB C 77 41.695 41.695 41.688 0.007 19654 4924 1 7 . 1 1 77 77 LEU H H 77 7.883 7.883 8.231 -0.348 19654 4925 1 7 . 1 1 78 78 SER N N 78 115.268 115.268 114.502 0.766 19654 4926 1 7 . 1 1 78 78 SER HA H 78 3.962 3.962 4.042 -0.080 19654 4927 1 7 . 1 1 78 78 SER CA C 78 62.337 62.337 62.027 0.310 19654 4928 1 7 . 1 1 78 78 SER CB C 78 62.218 62.218 63.028 -0.810 19654 4929 1 7 . 1 1 78 78 SER H H 78 8.185 8.185 8.125 0.060 19654 4930 1 7 . 1 1 79 79 ARG N N 79 119.021 119.021 120.255 -1.234 19654 4931 1 7 . 1 1 79 79 ARG HA H 79 4.090 4.090 3.958 0.132 19654 4932 1 7 . 1 1 79 79 ARG CA C 79 58.849 58.849 58.832 0.017 19654 4933 1 7 . 1 1 79 79 ARG CB C 79 29.930 29.930 29.544 0.386 19654 4934 1 7 . 1 1 79 79 ARG H H 79 7.684 7.684 7.668 0.016 19654 4935 1 7 . 1 1 80 80 VAL N N 80 116.979 116.979 120.178 -3.199 19654 4936 1 7 . 1 1 80 80 VAL HA H 80 3.953 3.953 3.972 -0.019 19654 4937 1 7 . 1 1 80 80 VAL CA C 80 64.228 64.228 66.258 -2.030 19654 4938 1 7 . 1 1 80 80 VAL CB C 80 32.210 32.210 31.759 0.452 19654 4939 1 7 . 1 1 80 80 VAL H H 80 7.479 7.479 7.348 0.131 19654 4940 1 7 . 1 1 81 81 MET N N 81 117.822 117.822 118.298 -0.476 19654 4941 1 7 . 1 1 81 81 MET HA H 81 4.053 4.053 4.030 0.023 19654 4942 1 7 . 1 1 81 81 MET CA C 81 58.322 58.322 57.431 0.891 19654 4943 1 7 . 1 1 81 81 MET CB C 81 32.555 32.555 31.394 1.161 19654 4944 1 7 . 1 1 81 81 MET H H 81 8.104 8.104 8.240 -0.136 19654 4945 1 7 . 1 1 82 82 ILE N N 82 116.348 116.348 118.662 -2.314 19654 4946 1 7 . 1 1 82 82 ILE HA H 82 3.815 3.815 3.769 0.046 19654 4947 1 7 . 1 1 82 82 ILE CA C 82 63.653 63.653 64.666 -1.013 19654 4948 1 7 . 1 1 82 82 ILE CB C 82 37.879 37.879 37.418 0.461 19654 4949 1 7 . 1 1 82 82 ILE H H 82 7.789 7.789 8.247 -0.458 19654 4950 1 7 . 1 1 83 83 HIS N N 83 118.994 118.994 117.244 1.750 19654 4951 1 7 . 1 1 83 83 HIS HA H 83 4.409 4.409 4.429 -0.020 19654 4952 1 7 . 1 1 83 83 HIS CA C 83 58.245 58.245 58.911 -0.666 19654 4953 1 7 . 1 1 83 83 HIS CB C 83 29.735 29.735 29.567 0.169 19654 4954 1 7 . 1 1 83 83 HIS H H 83 7.543 7.543 7.475 0.068 19654 4955 1 7 . 1 1 84 84 VAL N N 84 117.112 117.112 120.266 -3.154 19654 4956 1 7 . 1 1 84 84 VAL HA H 84 3.631 3.631 3.697 -0.066 19654 4957 1 7 . 1 1 84 84 VAL CA C 84 64.628 64.628 66.163 -1.535 19654 4958 1 7 . 1 1 84 84 VAL CB C 84 31.904 31.904 31.616 0.288 19654 4959 1 7 . 1 1 84 84 VAL H H 84 7.713 7.713 7.649 0.064 19654 4960 1 7 . 1 1 85 85 PHE N N 85 115.531 115.531 114.987 0.544 19654 4961 1 7 . 1 1 85 85 PHE HA H 85 4.733 4.733 4.601 0.132 19654 4962 1 7 . 1 1 85 85 PHE CA C 85 57.326 57.326 56.204 1.122 19654 4963 1 7 . 1 1 85 85 PHE CB C 85 39.507 39.507 36.855 2.651 19654 4964 1 7 . 1 1 85 85 PHE H H 85 7.743 7.743 7.271 0.472 19654 4965 1 7 . 1 1 86 86 SER N N 86 114.812 114.812 115.447 -0.635 19654 4966 1 7 . 1 1 86 86 SER HA H 86 4.275 4.275 4.415 -0.140 19654 4967 1 7 . 1 1 86 86 SER CA C 86 59.832 59.832 59.656 0.176 19654 4968 1 7 . 1 1 86 86 SER CB C 86 63.482 63.482 63.707 -0.225 19654 4969 1 7 . 1 1 86 86 SER H H 86 7.634 7.634 7.531 0.103 19654 4970 1 7 . 1 1 87 87 ASP N N 87 120.986 120.986 122.042 -1.056 19654 4971 1 7 . 1 1 87 87 ASP HA H 87 4.491 4.491 4.754 -0.263 19654 4972 1 7 . 1 1 87 87 ASP CA C 87 54.032 54.032 54.328 -0.296 19654 4973 1 7 . 1 1 87 87 ASP CB C 87 40.411 40.411 42.374 -1.963 19654 4974 1 7 . 1 1 87 87 ASP H H 87 8.043 8.043 7.454 0.589 19654 4975 1 7 . 1 1 88 88 GLY N N 88 108.171 108.171 111.302 -3.131 19654 4976 1 7 . 1 1 88 88 GLY CA C 88 44.981 44.981 44.825 0.156 19654 4977 1 7 . 1 1 88 88 GLY H H 88 8.163 8.163 8.536 -0.373 19654 4978 1 7 . 1 1 89 89 VAL N N 89 121.716 121.716 116.541 5.175 19654 4979 1 7 . 1 1 89 89 VAL HA H 89 3.879 3.879 4.379 -0.500 19654 4980 1 7 . 1 1 89 89 VAL CA C 89 62.471 62.471 58.460 4.011 19654 4981 1 7 . 1 1 89 89 VAL CB C 89 32.418 32.418 34.415 -1.997 19654 4982 1 7 . 1 1 89 89 VAL H H 89 7.886 7.886 7.359 0.527 19654 4983 1 7 . 1 1 90 90 THR N N 90 121.669 121.669 113.671 7.998 19654 4984 1 7 . 1 1 90 90 THR HA H 90 3.657 3.657 3.941 -0.284 19654 4985 1 7 . 1 1 90 90 THR CA C 90 62.473 62.473 61.854 0.619 19654 4986 1 7 . 1 1 90 90 THR CB C 90 68.528 68.528 67.808 0.720 19654 4987 1 7 . 1 1 90 90 THR H H 90 8.201 8.201 8.385 -0.184 19654 4988 1 7 . 1 1 91 91 ASN HA H 91 4.162 4.162 4.858 -0.696 19654 4989 1 7 . 1 1 91 91 ASN CA C 91 51.748 51.748 51.360 0.388 19654 4990 1 7 . 1 1 91 91 ASN CB C 91 39.645 39.645 39.852 -0.207 19654 4991 1 7 . 1 1 91 91 ASN H H 91 8.826 8.826 7.555 1.271 19654 4992 1 7 . 1 1 92 92 TRP N N 92 118.437 118.437 124.592 -6.155 19654 4993 1 7 . 1 1 92 92 TRP HA H 92 4.739 4.739 4.357 0.382 19654 4994 1 7 . 1 1 92 92 TRP CA C 92 60.233 60.233 59.026 1.206 19654 4995 1 7 . 1 1 92 92 TRP CB C 92 30.167 30.167 29.060 1.107 19654 4996 1 7 . 1 1 92 92 TRP H H 92 8.942 8.942 8.202 0.740 19654 4997 1 7 . 1 1 93 93 GLY N N 93 108.154 108.154 109.273 -1.119 19654 4998 1 7 . 1 1 93 93 GLY CA C 93 47.544 47.544 47.033 0.511 19654 4999 1 7 . 1 1 93 93 GLY H H 93 8.697 8.697 8.721 -0.024 19654 5000 1 7 . 1 1 94 94 ARG N N 94 122.547 122.547 121.257 1.290 19654 5001 1 7 . 1 1 94 94 ARG HA H 94 4.072 4.072 4.187 -0.115 19654 5002 1 7 . 1 1 94 94 ARG CA C 94 58.556 58.556 58.179 0.377 19654 5003 1 7 . 1 1 94 94 ARG CB C 94 30.201 30.201 29.562 0.638 19654 5004 1 7 . 1 1 94 94 ARG H H 94 8.353 8.353 8.001 0.352 19654 5005 1 7 . 1 1 95 95 ILE N N 95 120.130 120.130 119.971 0.159 19654 5006 1 7 . 1 1 95 95 ILE HA H 95 3.708 3.708 4.053 -0.345 19654 5007 1 7 . 1 1 95 95 ILE CA C 95 65.511 65.511 63.600 1.911 19654 5008 1 7 . 1 1 95 95 ILE CB C 95 37.486 37.486 36.772 0.714 19654 5009 1 7 . 1 1 95 95 ILE H H 95 7.545 7.545 7.727 -0.182 19654 5010 1 7 . 1 1 96 96 VAL N N 96 119.403 119.403 120.489 -1.086 19654 5011 1 7 . 1 1 96 96 VAL HA H 96 3.723 3.723 3.634 0.089 19654 5012 1 7 . 1 1 96 96 VAL CA C 96 67.249 67.249 67.484 -0.235 19654 5013 1 7 . 1 1 96 96 VAL CB C 96 31.001 31.001 31.161 -0.160 19654 5014 1 7 . 1 1 96 96 VAL H H 96 8.990 8.990 7.998 0.992 19654 5015 1 7 . 1 1 97 97 THR N N 97 122.016 122.016 117.220 4.796 19654 5016 1 7 . 1 1 97 97 THR HA H 97 3.784 3.784 4.043 -0.259 19654 5017 1 7 . 1 1 97 97 THR CA C 97 68.159 68.159 67.134 1.025 19654 5018 1 7 . 1 1 97 97 THR CB C 97 67.212 67.212 68.744 -1.532 19654 5019 1 7 . 1 1 97 97 THR H H 97 8.605 8.605 8.185 0.420 19654 5020 1 7 . 1 1 98 98 LEU N N 98 122.476 122.476 123.521 -1.045 19654 5021 1 7 . 1 1 98 98 LEU HA H 98 3.805 3.805 4.045 -0.240 19654 5022 1 7 . 1 1 98 98 LEU CA C 98 58.818 58.818 58.397 0.421 19654 5023 1 7 . 1 1 98 98 LEU CB C 98 41.158 41.158 41.827 -0.669 19654 5024 1 7 . 1 1 98 98 LEU H H 98 7.769 7.769 7.918 -0.149 19654 5025 1 7 . 1 1 99 99 ILE N N 99 117.997 117.997 117.633 0.364 19654 5026 1 7 . 1 1 99 99 ILE HA H 99 3.509 3.509 3.712 -0.203 19654 5027 1 7 . 1 1 99 99 ILE CA C 99 66.261 66.261 65.629 0.632 19654 5028 1 7 . 1 1 99 99 ILE CB C 99 38.350 38.350 37.571 0.779 19654 5029 1 7 . 1 1 99 99 ILE H H 99 8.175 8.175 8.163 0.012 19654 5030 1 7 . 1 1 100 100 SER N N 100 116.934 116.934 117.708 -0.774 19654 5031 1 7 . 1 1 100 100 SER HA H 100 4.447 4.447 4.541 -0.094 19654 5032 1 7 . 1 1 100 100 SER CA C 100 63.290 63.290 62.024 1.266 19654 5033 1 7 . 1 1 100 100 SER CB C 100 62.867 62.867 63.509 -0.642 19654 5034 1 7 . 1 1 100 100 SER H H 100 8.989 8.989 8.739 0.250 19654 5035 1 7 . 1 1 101 101 PHE N N 101 124.640 124.640 124.062 0.578 19654 5036 1 7 . 1 1 101 101 PHE HA H 101 3.420 3.420 4.003 -0.583 19654 5037 1 7 . 1 1 101 101 PHE CA C 101 60.499 60.499 59.750 0.749 19654 5038 1 7 . 1 1 101 101 PHE CB C 101 37.333 37.333 38.368 -1.035 19654 5039 1 7 . 1 1 101 101 PHE H H 101 8.513 8.513 8.509 0.004 19654 5040 1 7 . 1 1 102 102 GLY N N 102 106.116 106.116 107.099 -0.983 19654 5041 1 7 . 1 1 102 102 GLY CA C 102 48.166 48.166 47.041 1.125 19654 5042 1 7 . 1 1 102 102 GLY H H 102 8.111 8.111 8.257 -0.146 19654 5043 1 7 . 1 1 103 103 ALA N N 103 124.560 124.560 124.900 -0.340 19654 5044 1 7 . 1 1 103 103 ALA HA H 103 3.780 3.780 3.982 -0.202 19654 5045 1 7 . 1 1 103 103 ALA CA C 103 55.646 55.646 54.514 1.132 19654 5046 1 7 . 1 1 103 103 ALA CB C 103 18.476 18.476 18.308 0.168 19654 5047 1 7 . 1 1 103 103 ALA H H 103 8.437 8.437 8.102 0.335 19654 5048 1 7 . 1 1 104 104 PHE N N 104 120.981 120.981 120.004 0.977 19654 5049 1 7 . 1 1 104 104 PHE HA H 104 3.989 3.989 4.140 -0.151 19654 5050 1 7 . 1 1 104 104 PHE CA C 104 62.258 62.258 61.502 0.756 19654 5051 1 7 . 1 1 104 104 PHE CB C 104 39.949 39.949 39.297 0.652 19654 5052 1 7 . 1 1 104 104 PHE H H 104 8.213 8.213 8.147 0.066 19654 5053 1 7 . 1 1 105 105 VAL N N 105 120.473 120.473 119.262 1.211 19654 5054 1 7 . 1 1 105 105 VAL HA H 105 3.236 3.236 3.284 -0.048 19654 5055 1 7 . 1 1 105 105 VAL CA C 105 66.348 66.348 66.294 0.054 19654 5056 1 7 . 1 1 105 105 VAL CB C 105 30.720 30.720 30.986 -0.266 19654 5057 1 7 . 1 1 105 105 VAL H H 105 8.513 8.513 8.087 0.426 19654 5058 1 7 . 1 1 106 106 ALA N N 106 123.948 123.948 123.398 0.550 19654 5059 1 7 . 1 1 106 106 ALA HA H 106 3.660 3.660 3.810 -0.150 19654 5060 1 7 . 1 1 106 106 ALA CA C 106 55.607 55.607 55.662 -0.055 19654 5061 1 7 . 1 1 106 106 ALA CB C 106 18.003 18.003 18.195 -0.192 19654 5062 1 7 . 1 1 106 106 ALA H H 106 8.807 8.807 8.215 0.592 19654 5063 1 7 . 1 1 107 107 LYS N N 107 115.836 115.836 117.311 -1.475 19654 5064 1 7 . 1 1 107 107 LYS HA H 107 3.733 3.733 3.875 -0.142 19654 5065 1 7 . 1 1 107 107 LYS CA C 107 60.462 60.462 59.156 1.306 19654 5066 1 7 . 1 1 107 107 LYS CB C 107 31.907 31.907 31.859 0.048 19654 5067 1 7 . 1 1 107 107 LYS H H 107 7.934 7.934 7.700 0.234 19654 5068 1 7 . 1 1 108 108 HIS N N 108 120.459 120.459 120.097 0.362 19654 5069 1 7 . 1 1 108 108 HIS HA H 108 4.212 4.212 4.270 -0.058 19654 5070 1 7 . 1 1 108 108 HIS CA C 108 59.623 59.623 59.572 0.051 19654 5071 1 7 . 1 1 108 108 HIS CB C 108 29.838 29.838 29.648 0.190 19654 5072 1 7 . 1 1 108 108 HIS H H 108 7.254 7.254 7.340 -0.086 19654 5073 1 7 . 1 1 109 109 LEU N N 109 118.336 118.336 120.601 -2.265 19654 5074 1 7 . 1 1 109 109 LEU HA H 109 3.640 3.640 3.868 -0.228 19654 5075 1 7 . 1 1 109 109 LEU CA C 109 56.945 56.945 57.925 -0.980 19654 5076 1 7 . 1 1 109 109 LEU CB C 109 39.709 39.709 41.655 -1.946 19654 5077 1 7 . 1 1 109 109 LEU H H 109 8.709 8.709 8.370 0.339 19654 5078 1 7 . 1 1 110 110 LYS N N 110 118.036 118.036 119.128 -1.092 19654 5079 1 7 . 1 1 110 110 LYS HA H 110 3.944 3.944 3.903 0.041 19654 5080 1 7 . 1 1 110 110 LYS CA C 110 58.967 58.967 59.659 -0.692 19654 5081 1 7 . 1 1 110 110 LYS CB C 110 32.220 32.220 32.226 -0.006 19654 5082 1 7 . 1 1 110 110 LYS H H 110 7.752 7.752 8.230 -0.478 19654 5083 1 7 . 1 1 111 111 THR N N 111 115.985 115.985 115.825 0.160 19654 5084 1 7 . 1 1 111 111 THR HA H 111 3.990 3.990 4.037 -0.047 19654 5085 1 7 . 1 1 111 111 THR CA C 111 65.921 65.921 66.140 -0.219 19654 5086 1 7 . 1 1 111 111 THR CB C 111 68.611 68.611 68.841 -0.230 19654 5087 1 7 . 1 1 111 111 THR H H 111 7.832 7.832 7.916 -0.084 19654 5088 1 7 . 1 1 112 112 ILE N N 112 112.606 112.606 115.078 -2.472 19654 5089 1 7 . 1 1 112 112 ILE HA H 112 4.454 4.454 4.254 0.200 19654 5090 1 7 . 1 1 112 112 ILE CA C 112 60.922 60.922 61.064 -0.142 19654 5091 1 7 . 1 1 112 112 ILE CB C 112 36.813 36.813 37.192 -0.379 19654 5092 1 7 . 1 1 112 112 ILE H H 112 7.262 7.262 7.411 -0.149 19654 5093 1 7 . 1 1 113 113 ASN N N 113 116.297 116.297 115.052 1.245 19654 5094 1 7 . 1 1 113 113 ASN HA H 113 4.576 4.576 4.402 0.174 19654 5095 1 7 . 1 1 113 113 ASN CA C 113 54.653 54.653 54.975 -0.322 19654 5096 1 7 . 1 1 113 113 ASN CB C 113 36.497 36.497 36.765 -0.268 19654 5097 1 7 . 1 1 113 113 ASN H H 113 7.816 7.816 7.775 0.041 19654 5098 1 7 . 1 1 114 114 GLN N N 114 117.958 117.958 117.749 0.209 19654 5099 1 7 . 1 1 114 114 GLN HA H 114 4.739 4.739 4.457 0.282 19654 5100 1 7 . 1 1 114 114 GLN CA C 114 54.079 54.079 54.504 -0.425 19654 5101 1 7 . 1 1 114 114 GLN CB C 114 28.840 28.840 27.629 1.211 19654 5102 1 7 . 1 1 114 114 GLN H H 114 8.522 8.522 8.398 0.124 19654 5103 1 7 . 1 1 115 115 GLU N N 115 120.597 120.597 122.028 -1.431 19654 5104 1 7 . 1 1 115 115 GLU HA H 115 3.646 3.646 3.932 -0.286 19654 5105 1 7 . 1 1 115 115 GLU CA C 115 59.569 59.569 59.847 -0.278 19654 5106 1 7 . 1 1 115 115 GLU CB C 115 29.061 29.061 29.228 -0.167 19654 5107 1 7 . 1 1 115 115 GLU H H 115 8.881 8.881 8.595 0.286 19654 5108 1 7 . 1 1 116 116 SER N N 116 115.352 115.352 113.018 2.334 19654 5109 1 7 . 1 1 116 116 SER HA H 116 4.250 4.250 4.405 -0.155 19654 5110 1 7 . 1 1 116 116 SER CA C 116 60.593 60.593 61.120 -0.527 19654 5111 1 7 . 1 1 116 116 SER CB C 116 62.231 62.231 62.804 -0.573 19654 5112 1 7 . 1 1 116 116 SER H H 116 8.702 8.702 8.648 0.054 19654 5113 1 7 . 1 1 117 117 SER N N 117 116.944 116.944 116.597 0.347 19654 5114 1 7 . 1 1 117 117 SER HA H 117 4.461 4.461 4.407 0.054 19654 5115 1 7 . 1 1 117 117 SER CA C 117 60.219 60.219 60.557 -0.338 19654 5116 1 7 . 1 1 117 117 SER CB C 117 64.116 64.116 63.445 0.671 19654 5117 1 7 . 1 1 117 117 SER H H 117 7.963 7.963 7.935 0.028 19654 5118 1 7 . 1 1 118 118 ILE N N 118 122.505 122.505 122.271 0.234 19654 5119 1 7 . 1 1 118 118 ILE HA H 118 3.419 3.419 3.582 -0.163 19654 5120 1 7 . 1 1 118 118 ILE CA C 118 66.227 66.227 65.434 0.793 19654 5121 1 7 . 1 1 118 118 ILE CB C 118 36.723 36.723 37.407 -0.684 19654 5122 1 7 . 1 1 118 118 ILE H H 118 7.945 7.945 7.633 0.312 19654 5123 1 7 . 1 1 119 119 GLU N N 119 119.604 119.604 119.801 -0.197 19654 5124 1 7 . 1 1 119 119 GLU HA H 119 4.244 4.244 4.069 0.175 19654 5125 1 7 . 1 1 119 119 GLU CA C 119 61.540 61.540 61.344 0.195 19654 5126 1 7 . 1 1 119 119 GLU CB C 119 26.092 26.092 27.628 -1.536 19654 5127 1 7 . 1 1 119 119 GLU H H 119 8.244 8.244 8.052 0.192 19654 5128 1 7 . 1 1 120 120 PRO HA H 120 4.446 4.446 4.489 -0.043 19654 5129 1 7 . 1 1 120 120 PRO CA C 120 65.583 65.583 65.219 0.364 19654 5130 1 7 . 1 1 120 120 PRO CB C 120 30.167 30.167 31.568 -1.401 19654 5131 1 7 . 1 1 121 121 LEU N N 121 120.974 120.974 120.715 0.259 19654 5132 1 7 . 1 1 121 121 LEU HA H 121 3.990 3.990 4.027 -0.037 19654 5133 1 7 . 1 1 121 121 LEU CA C 121 58.436 58.436 57.731 0.705 19654 5134 1 7 . 1 1 121 121 LEU CB C 121 40.988 40.988 41.669 -0.681 19654 5135 1 7 . 1 1 121 121 LEU H H 121 7.587 7.587 7.794 -0.207 19654 5136 1 7 . 1 1 122 122 ALA N N 122 121.982 121.982 120.947 1.035 19654 5137 1 7 . 1 1 122 122 ALA HA H 122 3.743 3.743 3.881 -0.138 19654 5138 1 7 . 1 1 122 122 ALA CA C 122 55.233 55.233 55.318 -0.085 19654 5139 1 7 . 1 1 122 122 ALA CB C 122 17.687 17.687 18.079 -0.392 19654 5140 1 7 . 1 1 122 122 ALA H H 122 8.593 8.593 8.429 0.164 19654 5141 1 7 . 1 1 123 123 GLU N N 123 120.516 120.516 117.842 2.674 19654 5142 1 7 . 1 1 123 123 GLU HA H 123 3.862 3.862 3.953 -0.091 19654 5143 1 7 . 1 1 123 123 GLU CA C 123 59.995 59.995 59.240 0.755 19654 5144 1 7 . 1 1 123 123 GLU CB C 123 29.298 29.298 29.574 -0.276 19654 5145 1 7 . 1 1 123 123 GLU H H 123 8.568 8.568 7.931 0.637 19654 5146 1 7 . 1 1 124 124 SER N N 124 116.054 116.054 116.359 -0.305 19654 5147 1 7 . 1 1 124 124 SER HA H 124 4.367 4.367 4.256 0.111 19654 5148 1 7 . 1 1 124 124 SER CA C 124 62.240 62.240 62.240 -0.000 19654 5149 1 7 . 1 1 124 124 SER CB C 124 63.074 63.074 62.634 0.440 19654 5150 1 7 . 1 1 124 124 SER H H 124 8.282 8.282 8.206 0.076 19654 5151 1 7 . 1 1 125 125 ILE N N 125 120.575 120.575 121.714 -1.139 19654 5152 1 7 . 1 1 125 125 ILE HA H 125 3.627 3.627 3.791 -0.164 19654 5153 1 7 . 1 1 125 125 ILE CA C 125 64.655 64.655 64.456 0.199 19654 5154 1 7 . 1 1 125 125 ILE CB C 125 37.413 37.413 36.912 0.501 19654 5155 1 7 . 1 1 125 125 ILE H H 125 8.343 8.343 8.569 -0.226 19654 5156 1 7 . 1 1 126 126 THR N N 126 116.459 116.459 115.457 1.002 19654 5157 1 7 . 1 1 126 126 THR HA H 126 3.482 3.482 3.969 -0.487 19654 5158 1 7 . 1 1 126 126 THR CA C 126 68.679 68.679 67.495 1.185 19654 5159 1 7 . 1 1 126 126 THR CB C 126 67.075 67.075 68.085 -1.010 19654 5160 1 7 . 1 1 126 126 THR H H 126 8.056 8.056 7.822 0.234 19654 5161 1 7 . 1 1 127 127 ASP N N 127 120.236 120.236 122.214 -1.978 19654 5162 1 7 . 1 1 127 127 ASP HA H 127 4.481 4.481 4.711 -0.230 19654 5163 1 7 . 1 1 127 127 ASP CA C 127 58.322 58.322 57.972 0.350 19654 5164 1 7 . 1 1 127 127 ASP CB C 127 41.822 41.822 41.247 0.575 19654 5165 1 7 . 1 1 127 127 ASP H H 127 8.813 8.813 8.311 0.502 19654 5166 1 7 . 1 1 128 128 VAL N N 128 116.904 116.904 119.737 -2.833 19654 5167 1 7 . 1 1 128 128 VAL HA H 128 3.677 3.677 3.792 -0.115 19654 5168 1 7 . 1 1 128 128 VAL CA C 128 66.346 66.346 66.102 0.244 19654 5169 1 7 . 1 1 128 128 VAL CB C 128 31.351 31.351 31.312 0.039 19654 5170 1 7 . 1 1 128 128 VAL H H 128 7.949 7.949 8.316 -0.367 19654 5171 1 7 . 1 1 129 129 LEU N N 129 121.043 121.043 121.264 -0.221 19654 5172 1 7 . 1 1 129 129 LEU HA H 129 3.819 3.819 3.953 -0.134 19654 5173 1 7 . 1 1 129 129 LEU CA C 129 58.742 58.742 58.307 0.435 19654 5174 1 7 . 1 1 129 129 LEU CB C 129 42.370 42.370 41.937 0.433 19654 5175 1 7 . 1 1 129 129 LEU H H 129 8.198 8.198 7.933 0.265 19654 5176 1 7 . 1 1 130 130 VAL N N 130 114.370 114.370 117.133 -2.763 19654 5177 1 7 . 1 1 130 130 VAL HA H 130 3.525 3.525 3.735 -0.210 19654 5178 1 7 . 1 1 130 130 VAL CA C 130 66.004 66.004 65.292 0.712 19654 5179 1 7 . 1 1 130 130 VAL CB C 130 31.320 31.320 31.122 0.198 19654 5180 1 7 . 1 1 130 130 VAL H H 130 8.858 8.858 8.364 0.494 19654 5181 1 7 . 1 1 131 131 ARG N N 131 115.890 115.890 118.723 -2.833 19654 5182 1 7 . 1 1 131 131 ARG HA H 131 4.284 4.284 4.119 0.165 19654 5183 1 7 . 1 1 131 131 ARG CA C 131 59.255 59.255 58.832 0.423 19654 5184 1 7 . 1 1 131 131 ARG CB C 131 30.009 30.009 29.942 0.067 19654 5185 1 7 . 1 1 131 131 ARG H H 131 8.619 8.619 8.434 0.185 19654 5186 1 7 . 1 1 132 132 THR N N 132 106.654 106.654 109.125 -2.471 19654 5187 1 7 . 1 1 132 132 THR HA H 132 4.464 4.464 4.392 0.072 19654 5188 1 7 . 1 1 132 132 THR CA C 132 64.081 64.081 63.002 1.079 19654 5189 1 7 . 1 1 132 132 THR CB C 132 69.870 69.870 70.161 -0.291 19654 5190 1 7 . 1 1 132 132 THR H H 132 7.530 7.530 7.579 -0.049 19654 5191 1 7 . 1 1 133 133 LYS N N 133 117.426 117.426 120.519 -3.093 19654 5192 1 7 . 1 1 133 133 LYS HA H 133 5.029 5.029 4.715 0.314 19654 5193 1 7 . 1 1 133 133 LYS CA C 133 53.009 53.009 54.892 -1.883 19654 5194 1 7 . 1 1 133 133 LYS CB C 133 31.044 31.044 32.134 -1.090 19654 5195 1 7 . 1 1 133 133 LYS H H 133 7.691 7.691 7.893 -0.202 19654 5196 1 7 . 1 1 134 134 ARG N N 134 120.904 120.904 121.251 -0.347 19654 5197 1 7 . 1 1 134 134 ARG HA H 134 3.679 3.679 3.823 -0.144 19654 5198 1 7 . 1 1 134 134 ARG CA C 134 61.456 61.456 60.838 0.618 19654 5199 1 7 . 1 1 134 134 ARG CB C 134 30.261 30.261 29.975 0.286 19654 5200 1 7 . 1 1 134 134 ARG H H 134 7.341 7.341 7.643 -0.302 19654 5201 1 7 . 1 1 135 135 ASP N N 135 114.262 114.262 117.914 -3.652 19654 5202 1 7 . 1 1 135 135 ASP HA H 135 4.238 4.238 4.261 -0.023 19654 5203 1 7 . 1 1 135 135 ASP CA C 135 57.595 57.595 57.367 0.228 19654 5204 1 7 . 1 1 135 135 ASP CB C 135 39.961 39.961 39.908 0.053 19654 5205 1 7 . 1 1 135 135 ASP H H 135 8.386 8.386 8.595 -0.209 19654 5206 1 7 . 1 1 136 136 TRP N N 136 121.564 121.564 120.137 1.427 19654 5207 1 7 . 1 1 136 136 TRP HA H 136 3.858 3.858 4.351 -0.493 19654 5208 1 7 . 1 1 136 136 TRP CA C 136 62.373 62.373 58.913 3.460 19654 5209 1 7 . 1 1 136 136 TRP CB C 136 28.807 28.807 29.249 -0.442 19654 5210 1 7 . 1 1 136 136 TRP H H 136 7.844 7.844 7.542 0.302 19654 5211 1 7 . 1 1 137 137 LEU N N 137 117.395 117.395 119.746 -2.351 19654 5212 1 7 . 1 1 137 137 LEU HA H 137 3.461 3.461 3.839 -0.378 19654 5213 1 7 . 1 1 137 137 LEU CA C 137 58.325 58.325 58.172 0.153 19654 5214 1 7 . 1 1 137 137 LEU CB C 137 42.979 42.979 41.488 1.491 19654 5215 1 7 . 1 1 137 137 LEU H H 137 8.623 8.623 8.374 0.249 19654 5216 1 7 . 1 1 138 138 VAL N N 138 118.341 118.341 117.333 1.008 19654 5217 1 7 . 1 1 138 138 VAL HA H 138 3.586 3.586 3.749 -0.163 19654 5218 1 7 . 1 1 138 138 VAL CA C 138 66.501 66.501 65.145 1.356 19654 5219 1 7 . 1 1 138 138 VAL CB C 138 31.588 31.588 32.078 -0.490 19654 5220 1 7 . 1 1 138 138 VAL H H 138 8.631 8.631 7.623 1.008 19654 5221 1 7 . 1 1 139 139 LYS N N 139 122.096 122.096 117.676 4.420 19654 5222 1 7 . 1 1 139 139 LYS HA H 139 3.941 3.941 4.220 -0.279 19654 5223 1 7 . 1 1 139 139 LYS CA C 139 58.925 58.925 58.199 0.726 19654 5224 1 7 . 1 1 139 139 LYS CB C 139 31.752 31.752 32.476 -0.724 19654 5225 1 7 . 1 1 139 139 LYS H H 139 7.695 7.695 8.290 -0.595 19654 5226 1 7 . 1 1 140 140 GLN N N 140 115.416 115.416 117.135 -1.719 19654 5227 1 7 . 1 1 140 140 GLN HA H 140 3.970 3.970 4.486 -0.516 19654 5228 1 7 . 1 1 140 140 GLN CA C 140 54.309 54.309 54.727 -0.418 19654 5229 1 7 . 1 1 140 140 GLN CB C 140 27.174 27.174 29.725 -2.551 19654 5230 1 7 . 1 1 140 140 GLN H H 140 7.344 7.344 8.152 -0.808 19654 5231 1 7 . 1 1 141 141 ARG N N 141 110.160 110.160 115.439 -5.279 19654 5232 1 7 . 1 1 141 141 ARG HA H 141 3.899 3.899 4.010 -0.111 19654 5233 1 7 . 1 1 141 141 ARG CA C 141 57.400 57.400 56.581 0.819 19654 5234 1 7 . 1 1 141 141 ARG CB C 141 25.640 25.640 27.532 -1.892 19654 5235 1 7 . 1 1 141 141 ARG H H 141 7.677 7.677 8.026 -0.349 19654 5236 1 7 . 1 1 142 142 GLY N N 142 107.741 107.741 107.774 -0.033 19654 5237 1 7 . 1 1 142 142 GLY CA C 142 45.633 45.633 46.774 -1.141 19654 5238 1 7 . 1 1 142 142 GLY H H 142 8.931 8.931 8.688 0.243 19654 5239 1 7 . 1 1 143 143 TRP N N 143 123.871 123.871 120.531 3.340 19654 5240 1 7 . 1 1 143 143 TRP HA H 143 4.273 4.273 4.358 -0.085 19654 5241 1 7 . 1 1 143 143 TRP CA C 143 59.317 59.317 58.289 1.028 19654 5242 1 7 . 1 1 143 143 TRP CB C 143 28.435 28.435 29.331 -0.896 19654 5243 1 7 . 1 1 143 143 TRP H H 143 9.004 9.004 7.775 1.229 19654 5244 1 7 . 1 1 144 144 ASP N N 144 119.481 119.481 118.914 0.567 19654 5245 1 7 . 1 1 144 144 ASP HA H 144 4.553 4.553 4.639 -0.086 19654 5246 1 7 . 1 1 144 144 ASP CA C 144 57.825 57.825 57.024 0.801 19654 5247 1 7 . 1 1 144 144 ASP CB C 144 40.435 40.435 40.860 -0.425 19654 5248 1 7 . 1 1 144 144 ASP H H 144 8.071 8.071 7.795 0.276 19654 5249 1 7 . 1 1 145 145 GLY N N 145 109.653 109.653 108.333 1.320 19654 5250 1 7 . 1 1 145 145 GLY CA C 145 46.856 46.856 47.006 -0.150 19654 5251 1 7 . 1 1 145 145 GLY H H 145 7.493 7.493 8.496 -1.003 19654 5252 1 7 . 1 1 146 146 PHE N N 146 124.053 124.053 121.682 2.371 19654 5253 1 7 . 1 1 146 146 PHE HA H 146 2.455 2.455 3.748 -1.293 19654 5254 1 7 . 1 1 146 146 PHE CA C 146 60.349 60.349 60.620 -0.271 19654 5255 1 7 . 1 1 146 146 PHE CB C 146 38.607 38.607 39.090 -0.483 19654 5256 1 7 . 1 1 146 146 PHE H H 146 7.257 7.257 8.197 -0.940 19654 5257 1 7 . 1 1 147 147 VAL N N 147 116.525 116.525 118.246 -1.721 19654 5258 1 7 . 1 1 147 147 VAL HA H 147 3.298 3.298 3.552 -0.254 19654 5259 1 7 . 1 1 147 147 VAL CA C 147 66.080 66.080 65.899 0.181 19654 5260 1 7 . 1 1 147 147 VAL CB C 147 31.904 31.904 31.366 0.538 19654 5261 1 7 . 1 1 147 147 VAL H H 147 7.700 7.700 7.538 0.162 19654 5262 1 7 . 1 1 148 148 GLU N N 148 118.404 118.404 120.064 -1.660 19654 5263 1 7 . 1 1 148 148 GLU HA H 148 3.985 3.985 4.215 -0.230 19654 5264 1 7 . 1 1 148 148 GLU CA C 148 58.933 58.933 59.114 -0.181 19654 5265 1 7 . 1 1 148 148 GLU CB C 148 29.535 29.535 29.060 0.475 19654 5266 1 7 . 1 1 148 148 GLU H H 148 7.801 7.801 7.693 0.108 19654 5267 1 7 . 1 1 149 149 PHE N N 149 120.305 120.305 121.446 -1.141 19654 5268 1 7 . 1 1 149 149 PHE HA H 149 3.970 3.970 4.098 -0.128 19654 5269 1 7 . 1 1 149 149 PHE CA C 149 61.341 61.341 61.444 -0.103 19654 5270 1 7 . 1 1 149 149 PHE CB C 149 39.011 39.011 39.092 -0.081 19654 5271 1 7 . 1 1 149 149 PHE H H 149 8.358 8.358 7.939 0.419 19654 5272 1 7 . 1 1 150 150 PHE N N 150 112.582 112.582 112.928 -0.346 19654 5273 1 7 . 1 1 150 150 PHE HA H 150 4.255 4.255 4.555 -0.300 19654 5274 1 7 . 1 1 150 150 PHE CA C 150 59.075 59.075 59.388 -0.313 19654 5275 1 7 . 1 1 150 150 PHE CB C 150 39.487 39.487 40.038 -0.551 19654 5276 1 7 . 1 1 150 150 PHE H H 150 6.927 6.927 7.391 -0.464 19654 5277 1 7 . 1 1 151 151 HIS N N 151 118.966 118.966 117.680 1.286 19654 5278 1 7 . 1 1 151 151 HIS HA H 151 4.370 4.370 4.359 0.011 19654 5279 1 7 . 1 1 151 151 HIS CA C 151 56.788 56.788 56.812 -0.024 19654 5280 1 7 . 1 1 151 151 HIS CB C 151 28.827 28.827 28.078 0.749 19654 5281 1 7 . 1 1 151 151 HIS H H 151 7.483 7.483 8.158 -0.675 19654 5282 1 7 . 1 1 152 152 VAL N N 152 120.499 120.499 125.136 -4.637 19654 5283 1 7 . 1 1 152 152 VAL HA H 152 3.950 3.950 4.009 -0.059 19654 5284 1 7 . 1 1 152 152 VAL CA C 152 62.110 62.110 63.649 -1.539 19654 5285 1 7 . 1 1 152 152 VAL CB C 152 32.593 32.593 33.475 -0.882 19654 5286 1 7 . 1 1 152 152 VAL H H 152 8.103 8.103 8.700 -0.597 19654 5287 1 7 . 1 1 153 153 GLU N N 153 123.580 123.580 119.254 4.326 19654 5288 1 7 . 1 1 153 153 GLU HA H 153 4.162 4.162 4.435 -0.273 19654 5289 1 7 . 1 1 153 153 GLU CA C 153 56.433 56.433 55.398 1.036 19654 5290 1 7 . 1 1 153 153 GLU CB C 153 30.101 30.101 29.664 0.437 19654 5291 1 7 . 1 1 153 153 GLU H H 153 8.446 8.446 8.532 -0.086 19654 5292 1 7 . 1 1 154 154 ASP N N 154 120.964 120.964 118.686 2.278 19654 5293 1 7 . 1 1 154 154 ASP HA H 154 4.565 4.565 4.640 -0.075 19654 5294 1 7 . 1 1 154 154 ASP CA C 154 54.106 54.106 53.603 0.503 19654 5295 1 7 . 1 1 154 154 ASP CB C 154 40.836 40.836 41.779 -0.943 19654 5296 1 7 . 1 1 154 154 ASP H H 154 8.325 8.325 7.925 0.400 19654 5297 1 7 . 1 1 155 155 LEU N N 155 122.311 122.311 119.512 2.799 19654 5298 1 7 . 1 1 155 155 LEU HA H 155 4.230 4.230 4.432 -0.202 19654 5299 1 7 . 1 1 155 155 LEU CA C 155 55.340 55.340 56.322 -0.982 19654 5300 1 7 . 1 1 155 155 LEU CB C 155 42.094 42.094 41.187 0.907 19654 5301 1 7 . 1 1 155 155 LEU H H 155 8.210 8.210 8.414 -0.204 19654 5302 1 7 . 1 1 156 156 GLU N N 156 120.023 120.023 119.288 0.735 19654 5303 1 7 . 1 1 156 156 GLU HA H 156 4.218 4.218 4.234 -0.016 19654 5304 1 7 . 1 1 156 156 GLU CA C 156 56.831 56.831 56.778 0.053 19654 5305 1 7 . 1 1 156 156 GLU CB C 156 29.930 29.930 29.577 0.353 19654 5306 1 7 . 1 1 156 156 GLU H H 156 8.396 8.396 8.230 0.166 19654 5307 1 7 . 1 1 157 157 GLY N N 157 109.371 109.371 109.827 -0.456 19654 5308 1 7 . 1 1 157 157 GLY CA C 157 45.327 45.327 45.773 -0.446 19654 5309 1 7 . 1 1 157 157 GLY H H 157 8.323 8.323 8.467 -0.144 19654 5310 1 7 . 1 1 158 158 GLY N N 158 108.074 108.074 107.634 0.440 19654 5311 1 7 . 1 1 158 158 GLY CA C 158 45.061 45.061 44.775 0.286 19654 5312 1 7 . 1 1 158 158 GLY H H 158 8.226 8.226 7.508 0.718 19654 5313 1 7 . 1 1 159 159 HIS N N 159 117.875 117.875 117.186 0.689 19654 5314 1 7 . 1 1 159 159 HIS HA H 159 4.551 4.551 4.990 -0.439 19654 5315 1 7 . 1 1 159 159 HIS CA C 159 55.600 55.600 55.633 -0.033 19654 5316 1 7 . 1 1 159 159 HIS CB C 159 29.800 29.800 30.507 -0.707 19654 5317 1 7 . 1 1 159 159 HIS H H 159 8.210 8.210 8.361 -0.151 19654 5318 1 7 . 1 1 161 161 HIS N N 161 125.094 125.094 125.146 -0.052 19654 5319 1 7 . 1 1 161 161 HIS HA H 161 4.585 4.585 4.381 0.203 19654 5320 1 7 . 1 1 161 161 HIS H H 161 8.162 8.162 7.961 0.201 19654 5321 1 8 . 1 1 2 2 GLU HA H 2 4.333 4.333 4.422 -0.089 19654 5322 1 8 . 1 1 2 2 GLU CA C 2 56.183 56.183 55.622 0.561 19654 5323 1 8 . 1 1 2 2 GLU CB C 2 30.150 30.150 30.530 -0.380 19654 5324 1 8 . 1 1 3 3 ASP N N 3 122.553 122.553 121.488 1.065 19654 5325 1 8 . 1 1 3 3 ASP HA H 3 4.729 4.729 4.739 -0.010 19654 5326 1 8 . 1 1 3 3 ASP CA C 3 53.659 53.659 53.869 -0.210 19654 5327 1 8 . 1 1 3 3 ASP CB C 3 41.319 41.319 43.016 -1.697 19654 5328 1 8 . 1 1 3 3 ASP H H 3 8.437 8.437 8.340 0.097 19654 5329 1 8 . 1 1 4 4 GLU N N 4 125.121 125.121 125.340 -0.219 19654 5330 1 8 . 1 1 4 4 GLU HA H 4 4.235 4.235 4.093 0.142 19654 5331 1 8 . 1 1 4 4 GLU CA C 4 58.915 58.915 59.334 -0.419 19654 5332 1 8 . 1 1 4 4 GLU CB C 4 29.274 29.274 29.902 -0.628 19654 5333 1 8 . 1 1 4 4 GLU H H 4 8.726 8.726 8.873 -0.147 19654 5334 1 8 . 1 1 5 5 LEU N N 5 120.976 120.976 120.029 0.947 19654 5335 1 8 . 1 1 5 5 LEU HA H 5 4.517 4.517 4.156 0.361 19654 5336 1 8 . 1 1 5 5 LEU CA C 5 57.939 57.939 57.862 0.077 19654 5337 1 8 . 1 1 5 5 LEU CB C 5 40.917 40.917 41.855 -0.938 19654 5338 1 8 . 1 1 5 5 LEU H H 5 8.381 8.381 8.439 -0.058 19654 5339 1 8 . 1 1 6 6 TYR N N 6 123.977 123.977 119.160 4.817 19654 5340 1 8 . 1 1 6 6 TYR HA H 6 3.865 3.865 4.160 -0.295 19654 5341 1 8 . 1 1 6 6 TYR CA C 6 62.721 62.721 61.846 0.875 19654 5342 1 8 . 1 1 6 6 TYR CB C 6 38.475 38.475 38.359 0.116 19654 5343 1 8 . 1 1 6 6 TYR H H 6 8.342 8.342 7.686 0.656 19654 5344 1 8 . 1 1 7 7 ARG N N 7 118.301 118.301 117.960 0.341 19654 5345 1 8 . 1 1 7 7 ARG HA H 7 3.828 3.828 3.956 -0.128 19654 5346 1 8 . 1 1 7 7 ARG CA C 7 59.619 59.619 58.241 1.378 19654 5347 1 8 . 1 1 7 7 ARG CB C 7 29.720 29.720 29.378 0.341 19654 5348 1 8 . 1 1 7 7 ARG H H 7 8.452 8.452 7.968 0.484 19654 5349 1 8 . 1 1 8 8 GLN N N 8 119.421 119.421 120.060 -0.639 19654 5350 1 8 . 1 1 8 8 GLN HA H 8 3.944 3.944 3.958 -0.014 19654 5351 1 8 . 1 1 8 8 GLN CA C 8 58.827 58.827 59.614 -0.787 19654 5352 1 8 . 1 1 8 8 GLN CB C 8 28.918 28.918 28.643 0.275 19654 5353 1 8 . 1 1 8 8 GLN H H 8 8.894 8.894 8.509 0.385 19654 5354 1 8 . 1 1 9 9 SER N N 9 113.384 113.384 116.658 -3.274 19654 5355 1 8 . 1 1 9 9 SER HA H 9 4.007 4.007 3.952 0.055 19654 5356 1 8 . 1 1 9 9 SER CA C 9 62.117 62.117 62.189 -0.072 19654 5357 1 8 . 1 1 9 9 SER CB C 9 63.544 63.544 63.206 0.338 19654 5358 1 8 . 1 1 9 9 SER H H 9 8.018 8.018 8.048 -0.030 19654 5359 1 8 . 1 1 10 10 LEU N N 10 121.112 121.112 123.332 -2.220 19654 5360 1 8 . 1 1 10 10 LEU HA H 10 4.130 4.130 4.056 0.074 19654 5361 1 8 . 1 1 10 10 LEU CA C 10 57.022 57.022 57.316 -0.294 19654 5362 1 8 . 1 1 10 10 LEU CB C 10 41.146 41.146 41.515 -0.369 19654 5363 1 8 . 1 1 10 10 LEU H H 10 8.599 8.599 8.232 0.367 19654 5364 1 8 . 1 1 11 11 GLU N N 11 120.653 120.653 119.980 0.673 19654 5365 1 8 . 1 1 11 11 GLU HA H 11 3.914 3.914 3.933 -0.019 19654 5366 1 8 . 1 1 11 11 GLU CA C 11 59.627 59.627 59.381 0.246 19654 5367 1 8 . 1 1 11 11 GLU CB C 11 29.298 29.298 29.222 0.076 19654 5368 1 8 . 1 1 11 11 GLU H H 11 7.806 7.806 7.905 -0.099 19654 5369 1 8 . 1 1 12 12 ILE N N 12 117.297 117.297 119.323 -2.026 19654 5370 1 8 . 1 1 12 12 ILE HA H 12 3.121 3.121 3.523 -0.402 19654 5371 1 8 . 1 1 12 12 ILE CA C 12 65.774 65.774 65.499 0.275 19654 5372 1 8 . 1 1 12 12 ILE CB C 12 39.143 39.143 37.666 1.478 19654 5373 1 8 . 1 1 12 12 ILE H H 12 7.401 7.401 7.445 -0.044 19654 5374 1 8 . 1 1 13 13 ILE N N 13 117.560 117.560 119.240 -1.680 19654 5375 1 8 . 1 1 13 13 ILE HA H 13 3.302 3.302 3.485 -0.183 19654 5376 1 8 . 1 1 13 13 ILE CA C 13 66.420 66.420 65.876 0.544 19654 5377 1 8 . 1 1 13 13 ILE CB C 13 37.714 37.714 37.554 0.160 19654 5378 1 8 . 1 1 13 13 ILE H H 13 8.378 8.378 8.135 0.243 19654 5379 1 8 . 1 1 14 14 SER N N 14 113.892 113.892 115.723 -1.831 19654 5380 1 8 . 1 1 14 14 SER HA H 14 3.889 3.889 4.011 -0.122 19654 5381 1 8 . 1 1 14 14 SER CA C 14 62.310 62.310 61.764 0.546 19654 5382 1 8 . 1 1 14 14 SER CB C 14 62.282 62.282 63.031 -0.749 19654 5383 1 8 . 1 1 14 14 SER H H 14 9.048 9.048 8.275 0.773 19654 5384 1 8 . 1 1 15 15 ARG N N 15 118.890 118.890 120.878 -1.988 19654 5385 1 8 . 1 1 15 15 ARG HA H 15 4.033 4.033 4.000 0.033 19654 5386 1 8 . 1 1 15 15 ARG CA C 15 59.496 59.496 59.401 0.094 19654 5387 1 8 . 1 1 15 15 ARG CB C 15 29.727 29.727 29.951 -0.224 19654 5388 1 8 . 1 1 15 15 ARG H H 15 7.655 7.655 7.609 0.046 19654 5389 1 8 . 1 1 16 16 TYR N N 16 119.757 119.757 121.812 -2.055 19654 5390 1 8 . 1 1 16 16 TYR HA H 16 4.146 4.146 4.134 0.012 19654 5391 1 8 . 1 1 16 16 TYR CA C 16 61.265 61.265 61.572 -0.307 19654 5392 1 8 . 1 1 16 16 TYR CB C 16 38.495 38.495 38.316 0.179 19654 5393 1 8 . 1 1 16 16 TYR H H 16 8.351 8.351 8.016 0.335 19654 5394 1 8 . 1 1 17 17 LEU N N 17 118.494 118.494 119.249 -0.755 19654 5395 1 8 . 1 1 17 17 LEU HA H 17 3.375 3.375 3.753 -0.378 19654 5396 1 8 . 1 1 17 17 LEU CA C 17 59.627 59.627 58.457 1.170 19654 5397 1 8 . 1 1 17 17 LEU CB C 17 39.949 39.949 41.062 -1.113 19654 5398 1 8 . 1 1 17 17 LEU H H 17 8.578 8.578 8.621 -0.043 19654 5399 1 8 . 1 1 18 18 ARG N N 18 115.962 115.962 119.360 -3.398 19654 5400 1 8 . 1 1 18 18 ARG HA H 18 3.858 3.858 3.918 -0.060 19654 5401 1 8 . 1 1 18 18 ARG CA C 18 60.233 60.233 59.145 1.088 19654 5402 1 8 . 1 1 18 18 ARG CB C 18 29.993 29.993 29.881 0.112 19654 5403 1 8 . 1 1 18 18 ARG H H 18 8.044 8.044 8.093 -0.049 19654 5404 1 8 . 1 1 19 19 GLU N N 19 120.998 120.998 120.110 0.888 19654 5405 1 8 . 1 1 19 19 GLU HA H 19 4.153 4.153 4.033 0.120 19654 5406 1 8 . 1 1 19 19 GLU CA C 19 58.857 58.857 58.870 -0.014 19654 5407 1 8 . 1 1 19 19 GLU CB C 19 29.661 29.661 28.778 0.883 19654 5408 1 8 . 1 1 19 19 GLU H H 19 8.268 8.268 8.388 -0.120 19654 5409 1 8 . 1 1 20 20 GLN N N 20 119.903 119.903 118.511 1.392 19654 5410 1 8 . 1 1 20 20 GLN HA H 20 3.715 3.715 3.915 -0.200 19654 5411 1 8 . 1 1 20 20 GLN CA C 20 58.008 58.008 57.811 0.197 19654 5412 1 8 . 1 1 20 20 GLN CB C 20 28.666 28.666 28.020 0.645 19654 5413 1 8 . 1 1 20 20 GLN H H 20 8.193 8.193 8.165 0.028 19654 5414 1 8 . 1 1 21 21 ALA N N 21 117.771 117.771 120.524 -2.753 19654 5415 1 8 . 1 1 21 21 ALA HA H 21 3.985 3.985 4.079 -0.094 19654 5416 1 8 . 1 1 21 21 ALA CA C 21 54.397 54.397 54.596 -0.200 19654 5417 1 8 . 1 1 21 21 ALA CB C 21 20.022 20.022 19.135 0.887 19654 5418 1 8 . 1 1 21 21 ALA H H 21 7.883 7.883 7.570 0.313 19654 5419 1 8 . 1 1 22 22 THR N N 22 103.721 103.721 106.901 -3.180 19654 5420 1 8 . 1 1 22 22 THR HA H 22 4.279 4.279 4.194 0.085 19654 5421 1 8 . 1 1 22 22 THR CA C 22 62.357 62.357 62.712 -0.356 19654 5422 1 8 . 1 1 22 22 THR CB C 22 71.071 71.071 69.910 1.161 19654 5423 1 8 . 1 1 22 22 THR H H 22 8.024 8.024 7.668 0.356 19654 5424 1 8 . 1 1 23 23 GLY N N 23 111.610 111.610 111.472 0.138 19654 5425 1 8 . 1 1 23 23 GLY CA C 23 45.574 45.574 45.533 0.041 19654 5426 1 8 . 1 1 23 23 GLY H H 23 8.155 8.155 7.905 0.250 19654 5427 1 8 . 1 1 24 24 ALA N N 24 123.004 123.004 122.087 0.917 19654 5428 1 8 . 1 1 24 24 ALA HA H 24 4.526 4.526 4.674 -0.148 19654 5429 1 8 . 1 1 24 24 ALA CA C 24 50.763 50.763 51.051 -0.288 19654 5430 1 8 . 1 1 24 24 ALA CB C 24 20.186 20.186 21.470 -1.284 19654 5431 1 8 . 1 1 24 24 ALA H H 24 7.763 7.763 7.509 0.254 19654 5432 1 8 . 1 1 25 25 LYS N N 25 121.392 121.392 122.306 -0.914 19654 5433 1 8 . 1 1 25 25 LYS HA H 25 4.181 4.181 4.187 -0.006 19654 5434 1 8 . 1 1 25 25 LYS CA C 25 55.729 55.729 56.795 -1.066 19654 5435 1 8 . 1 1 25 25 LYS CB C 25 33.175 33.175 32.299 0.876 19654 5436 1 8 . 1 1 25 25 LYS H H 25 8.349 8.349 8.455 -0.106 19654 5437 1 8 . 1 1 26 26 ASP N N 26 124.433 124.433 121.765 2.668 19654 5438 1 8 . 1 1 26 26 ASP HA H 26 4.618 4.618 4.481 0.137 19654 5439 1 8 . 1 1 26 26 ASP CA C 26 53.735 53.735 55.224 -1.489 19654 5440 1 8 . 1 1 26 26 ASP CB C 26 41.402 41.402 41.761 -0.359 19654 5441 1 8 . 1 1 26 26 ASP H H 26 8.803 8.803 8.736 0.067 19654 5442 1 8 . 1 1 27 27 THR N N 27 116.332 116.332 113.316 3.016 19654 5443 1 8 . 1 1 27 27 THR HA H 27 4.249 4.249 4.418 -0.169 19654 5444 1 8 . 1 1 27 27 THR CA C 27 61.268 61.268 61.789 -0.521 19654 5445 1 8 . 1 1 27 27 THR CB C 27 68.993 68.993 68.816 0.177 19654 5446 1 8 . 1 1 27 27 THR H H 27 8.363 8.363 8.173 0.190 19654 5447 1 8 . 1 1 28 28 LYS N N 28 125.551 125.551 123.636 1.915 19654 5448 1 8 . 1 1 28 28 LYS HA H 28 4.437 4.437 4.782 -0.345 19654 5449 1 8 . 1 1 28 28 LYS CA C 28 55.188 55.188 53.578 1.610 19654 5450 1 8 . 1 1 28 28 LYS CB C 28 31.409 31.409 32.148 -0.739 19654 5451 1 8 . 1 1 28 28 LYS H H 28 8.346 8.346 8.521 -0.175 19654 5452 1 8 . 1 1 29 29 PRO HA H 29 4.392 4.392 4.461 -0.069 19654 5453 1 8 . 1 1 29 29 PRO CA C 29 63.164 63.164 62.800 0.364 19654 5454 1 8 . 1 1 29 29 PRO CB C 29 31.904 31.904 32.213 -0.309 19654 5455 1 8 . 1 1 30 30 MET N N 30 121.136 121.136 124.681 -3.545 19654 5456 1 8 . 1 1 30 30 MET HA H 30 4.381 4.381 4.470 -0.089 19654 5457 1 8 . 1 1 30 30 MET CA C 30 55.229 55.229 53.478 1.751 19654 5458 1 8 . 1 1 30 30 MET CB C 30 33.819 33.819 30.611 3.208 19654 5459 1 8 . 1 1 30 30 MET H H 30 8.585 8.585 8.577 0.008 19654 5460 1 8 . 1 1 31 31 GLY N N 31 109.849 109.849 113.500 -3.651 19654 5461 1 8 . 1 1 31 31 GLY CA C 31 44.983 44.983 47.108 -2.126 19654 5462 1 8 . 1 1 31 31 GLY H H 31 8.930 8.930 8.210 0.720 19654 5463 1 8 . 1 1 32 32 ARG N N 32 121.001 121.001 122.634 -1.633 19654 5464 1 8 . 1 1 32 32 ARG HA H 32 4.239 4.239 4.539 -0.300 19654 5465 1 8 . 1 1 32 32 ARG CA C 32 56.755 56.755 56.303 0.452 19654 5466 1 8 . 1 1 32 32 ARG CB C 32 30.110 30.110 31.137 -1.027 19654 5467 1 8 . 1 1 32 32 ARG H H 32 8.447 8.447 8.637 -0.190 19654 5468 1 8 . 1 1 33 33 SER N N 33 119.991 119.991 114.788 5.203 19654 5469 1 8 . 1 1 33 33 SER HA H 33 4.386 4.386 4.686 -0.300 19654 5470 1 8 . 1 1 33 33 SER CA C 33 58.502 58.502 58.464 0.038 19654 5471 1 8 . 1 1 33 33 SER CB C 33 62.609 62.609 65.191 -2.582 19654 5472 1 8 . 1 1 33 33 SER H H 33 8.667 8.667 7.763 0.904 19654 5473 1 8 . 1 1 34 34 GLY N N 34 108.582 108.582 110.443 -1.861 19654 5474 1 8 . 1 1 34 34 GLY CA C 34 46.637 46.637 46.824 -0.187 19654 5475 1 8 . 1 1 34 34 GLY H H 34 8.216 8.216 8.257 -0.041 19654 5476 1 8 . 1 1 35 35 ALA N N 35 123.445 123.445 126.733 -3.288 19654 5477 1 8 . 1 1 35 35 ALA HA H 35 4.193 4.193 4.021 0.172 19654 5478 1 8 . 1 1 35 35 ALA CA C 35 54.770 54.770 55.196 -0.426 19654 5479 1 8 . 1 1 35 35 ALA CB C 35 18.437 18.437 18.428 0.009 19654 5480 1 8 . 1 1 35 35 ALA H H 35 8.506 8.506 8.535 -0.029 19654 5481 1 8 . 1 1 36 36 THR N N 36 115.716 115.716 114.935 0.781 19654 5482 1 8 . 1 1 36 36 THR HA H 36 3.919 3.919 3.935 -0.016 19654 5483 1 8 . 1 1 36 36 THR CA C 36 67.249 67.249 67.151 0.098 19654 5484 1 8 . 1 1 36 36 THR CB C 36 68.225 68.225 68.559 -0.334 19654 5485 1 8 . 1 1 36 36 THR H H 36 8.262 8.262 7.790 0.472 19654 5486 1 8 . 1 1 37 37 SER N N 37 117.911 117.911 117.113 0.798 19654 5487 1 8 . 1 1 37 37 SER HA H 37 3.869 3.869 4.045 -0.176 19654 5488 1 8 . 1 1 37 37 SER CA C 37 62.333 62.333 61.799 0.534 19654 5489 1 8 . 1 1 37 37 SER CB C 37 62.333 62.333 62.760 -0.427 19654 5490 1 8 . 1 1 37 37 SER H H 37 8.389 8.389 7.898 0.491 19654 5491 1 8 . 1 1 38 38 ARG N N 38 120.924 120.924 122.545 -1.621 19654 5492 1 8 . 1 1 38 38 ARG HA H 38 3.901 3.901 4.004 -0.103 19654 5493 1 8 . 1 1 38 38 ARG CA C 38 59.923 59.923 59.449 0.474 19654 5494 1 8 . 1 1 38 38 ARG CB C 38 29.759 29.759 30.152 -0.393 19654 5495 1 8 . 1 1 38 38 ARG H H 38 8.278 8.278 7.810 0.468 19654 5496 1 8 . 1 1 39 39 LYS N N 39 119.172 119.172 119.392 -0.220 19654 5497 1 8 . 1 1 39 39 LYS HA H 39 4.151 4.151 3.987 0.164 19654 5498 1 8 . 1 1 39 39 LYS CA C 39 59.086 59.086 59.525 -0.439 19654 5499 1 8 . 1 1 39 39 LYS CB C 39 32.807 32.807 32.213 0.594 19654 5500 1 8 . 1 1 39 39 LYS H H 39 7.930 7.930 8.336 -0.406 19654 5501 1 8 . 1 1 40 40 ALA N N 40 125.586 125.586 122.332 3.254 19654 5502 1 8 . 1 1 40 40 ALA HA H 40 4.175 4.175 4.273 -0.098 19654 5503 1 8 . 1 1 40 40 ALA CA C 40 55.633 55.633 55.199 0.434 19654 5504 1 8 . 1 1 40 40 ALA CB C 40 18.675 18.675 18.488 0.188 19654 5505 1 8 . 1 1 40 40 ALA H H 40 9.192 9.192 8.157 1.035 19654 5506 1 8 . 1 1 41 41 LEU N N 41 120.080 120.080 120.351 -0.271 19654 5507 1 8 . 1 1 41 41 LEU HA H 41 3.930 3.930 3.827 0.103 19654 5508 1 8 . 1 1 41 41 LEU CA C 41 58.169 58.169 58.100 0.069 19654 5509 1 8 . 1 1 41 41 LEU CB C 41 41.683 41.683 41.791 -0.108 19654 5510 1 8 . 1 1 41 41 LEU H H 41 8.209 8.209 7.604 0.605 19654 5511 1 8 . 1 1 42 42 GLU N N 42 117.875 117.875 116.472 1.403 19654 5512 1 8 . 1 1 42 42 GLU HA H 42 3.977 3.977 4.050 -0.073 19654 5513 1 8 . 1 1 42 42 GLU CA C 42 59.335 59.335 59.282 0.053 19654 5514 1 8 . 1 1 42 42 GLU CB C 42 29.176 29.176 29.021 0.155 19654 5515 1 8 . 1 1 42 42 GLU H H 42 8.197 8.197 8.730 -0.533 19654 5516 1 8 . 1 1 43 43 THR N N 43 116.912 116.912 118.231 -1.319 19654 5517 1 8 . 1 1 43 43 THR HA H 43 3.793 3.793 4.066 -0.273 19654 5518 1 8 . 1 1 43 43 THR CA C 43 67.517 67.517 67.022 0.495 19654 5519 1 8 . 1 1 43 43 THR CB C 43 68.089 68.089 68.602 -0.513 19654 5520 1 8 . 1 1 43 43 THR H H 43 8.183 8.183 8.172 0.011 19654 5521 1 8 . 1 1 44 44 LEU N N 44 123.099 123.099 121.593 1.506 19654 5522 1 8 . 1 1 44 44 LEU HA H 44 3.699 3.699 3.891 -0.192 19654 5523 1 8 . 1 1 44 44 LEU CA C 44 58.261 58.261 57.911 0.350 19654 5524 1 8 . 1 1 44 44 LEU CB C 44 40.988 40.988 41.180 -0.192 19654 5525 1 8 . 1 1 44 44 LEU H H 44 8.509 8.509 8.465 0.044 19654 5526 1 8 . 1 1 45 45 ARG N N 45 116.885 116.885 119.561 -2.676 19654 5527 1 8 . 1 1 45 45 ARG HA H 45 4.125 4.125 4.364 -0.239 19654 5528 1 8 . 1 1 45 45 ARG CA C 45 59.617 59.617 59.526 0.091 19654 5529 1 8 . 1 1 45 45 ARG CB C 45 30.423 30.423 30.399 0.024 19654 5530 1 8 . 1 1 45 45 ARG H H 45 8.398 8.398 8.019 0.379 19654 5531 1 8 . 1 1 46 46 ARG N N 46 117.297 117.297 118.563 -1.266 19654 5532 1 8 . 1 1 46 46 ARG HA H 46 4.229 4.229 4.152 0.077 19654 5533 1 8 . 1 1 46 46 ARG CA C 46 58.427 58.427 58.812 -0.385 19654 5534 1 8 . 1 1 46 46 ARG CB C 46 30.408 30.408 30.107 0.301 19654 5535 1 8 . 1 1 46 46 ARG H H 46 7.421 7.421 8.179 -0.758 19654 5536 1 8 . 1 1 47 47 VAL N N 47 114.304 114.304 112.657 1.647 19654 5537 1 8 . 1 1 47 47 VAL HA H 47 4.094 4.094 4.409 -0.315 19654 5538 1 8 . 1 1 47 47 VAL CA C 47 63.242 63.242 63.548 -0.306 19654 5539 1 8 . 1 1 47 47 VAL CB C 47 32.378 32.378 32.392 -0.014 19654 5540 1 8 . 1 1 47 47 VAL H H 47 8.515 8.515 7.741 0.774 19654 5541 1 8 . 1 1 48 48 GLY N N 48 110.132 110.132 109.424 0.708 19654 5542 1 8 . 1 1 48 48 GLY CA C 48 46.588 46.588 47.414 -0.827 19654 5543 1 8 . 1 1 48 48 GLY H H 48 8.890 8.890 8.367 0.523 19654 5544 1 8 . 1 1 49 49 ASP N N 49 121.292 121.292 122.480 -1.188 19654 5545 1 8 . 1 1 49 49 ASP HA H 49 4.456 4.456 4.463 -0.007 19654 5546 1 8 . 1 1 49 49 ASP CA C 49 57.787 57.787 57.935 -0.148 19654 5547 1 8 . 1 1 49 49 ASP CB C 49 40.912 40.912 40.741 0.171 19654 5548 1 8 . 1 1 49 49 ASP H H 49 7.392 7.392 8.078 -0.686 19654 5549 1 8 . 1 1 50 50 GLY N N 50 106.682 106.682 107.909 -1.227 19654 5550 1 8 . 1 1 50 50 GLY CA C 50 46.932 46.932 47.336 -0.404 19654 5551 1 8 . 1 1 50 50 GLY H H 50 8.132 8.132 8.521 -0.389 19654 5552 1 8 . 1 1 51 51 VAL N N 51 121.747 121.747 122.833 -1.086 19654 5553 1 8 . 1 1 51 51 VAL HA H 51 3.944 3.944 3.711 0.233 19654 5554 1 8 . 1 1 51 51 VAL CA C 51 66.355 66.355 66.687 -0.332 19654 5555 1 8 . 1 1 51 51 VAL CB C 51 31.594 31.594 31.642 -0.048 19654 5556 1 8 . 1 1 51 51 VAL H H 51 7.476 7.476 7.788 -0.312 19654 5557 1 8 . 1 1 52 52 GLN N N 52 118.494 118.494 118.394 0.100 19654 5558 1 8 . 1 1 52 52 GLN HA H 52 3.913 3.913 4.028 -0.115 19654 5559 1 8 . 1 1 52 52 GLN CA C 52 60.391 60.391 59.261 1.130 19654 5560 1 8 . 1 1 52 52 GLN CB C 52 29.682 29.682 28.595 1.087 19654 5561 1 8 . 1 1 52 52 GLN H H 52 8.439 8.439 8.413 0.026 19654 5562 1 8 . 1 1 53 53 ARG N N 53 116.807 116.807 119.478 -2.671 19654 5563 1 8 . 1 1 53 53 ARG HA H 53 4.163 4.163 4.032 0.131 19654 5564 1 8 . 1 1 53 53 ARG CA C 53 59.086 59.086 58.720 0.366 19654 5565 1 8 . 1 1 53 53 ARG CB C 53 30.009 30.009 29.756 0.253 19654 5566 1 8 . 1 1 53 53 ARG H H 53 7.873 7.873 8.351 -0.478 19654 5567 1 8 . 1 1 54 54 ASN N N 54 116.356 116.356 115.244 1.112 19654 5568 1 8 . 1 1 54 54 ASN HA H 54 4.448 4.448 4.521 -0.073 19654 5569 1 8 . 1 1 54 54 ASN CA C 54 54.694 54.694 55.243 -0.549 19654 5570 1 8 . 1 1 54 54 ASN CB C 54 38.302 38.302 38.279 0.023 19654 5571 1 8 . 1 1 54 54 ASN H H 54 8.123 8.123 7.902 0.221 19654 5572 1 8 . 1 1 55 55 HIS N N 55 114.809 114.809 117.646 -2.837 19654 5573 1 8 . 1 1 55 55 HIS HA H 55 4.504 4.504 4.258 0.246 19654 5574 1 8 . 1 1 55 55 HIS CA C 55 55.949 55.949 58.373 -2.424 19654 5575 1 8 . 1 1 55 55 HIS CB C 55 28.341 28.341 30.392 -2.050 19654 5576 1 8 . 1 1 55 55 HIS H H 55 7.558 7.558 8.238 -0.680 19654 5577 1 8 . 1 1 56 56 GLU N N 56 121.943 121.943 121.137 0.806 19654 5578 1 8 . 1 1 56 56 GLU HA H 56 3.640 3.640 3.551 0.089 19654 5579 1 8 . 1 1 56 56 GLU CA C 56 61.360 61.360 59.873 1.487 19654 5580 1 8 . 1 1 56 56 GLU CB C 56 30.006 30.006 29.329 0.677 19654 5581 1 8 . 1 1 56 56 GLU H H 56 7.071 7.071 8.259 -1.188 19654 5582 1 8 . 1 1 57 57 THR N N 57 112.827 112.827 113.314 -0.487 19654 5583 1 8 . 1 1 57 57 THR HA H 57 3.984 3.984 4.045 -0.061 19654 5584 1 8 . 1 1 57 57 THR CA C 57 66.247 66.247 65.535 0.712 19654 5585 1 8 . 1 1 57 57 THR CB C 57 68.002 68.002 68.644 -0.642 19654 5586 1 8 . 1 1 57 57 THR H H 57 8.324 8.324 7.916 0.408 19654 5587 1 8 . 1 1 58 58 ALA N N 58 126.520 126.520 123.358 3.162 19654 5588 1 8 . 1 1 58 58 ALA HA H 58 4.147 4.147 4.148 -0.001 19654 5589 1 8 . 1 1 58 58 ALA CA C 58 54.707 54.707 54.345 0.362 19654 5590 1 8 . 1 1 58 58 ALA CB C 58 17.734 17.734 18.298 -0.564 19654 5591 1 8 . 1 1 58 58 ALA H H 58 7.910 7.910 7.173 0.737 19654 5592 1 8 . 1 1 59 59 PHE N N 59 119.326 119.326 118.882 0.444 19654 5593 1 8 . 1 1 59 59 PHE HA H 59 4.518 4.518 4.147 0.371 19654 5594 1 8 . 1 1 59 59 PHE CA C 59 56.946 56.946 58.825 -1.879 19654 5595 1 8 . 1 1 59 59 PHE CB C 59 34.583 34.583 37.553 -2.970 19654 5596 1 8 . 1 1 59 59 PHE H H 59 9.017 9.017 8.263 0.754 19654 5597 1 8 . 1 1 60 60 GLN N N 60 119.670 119.670 118.476 1.194 19654 5598 1 8 . 1 1 60 60 GLN HA H 60 4.232 4.232 4.214 0.018 19654 5599 1 8 . 1 1 60 60 GLN CA C 60 59.359 59.359 59.442 -0.083 19654 5600 1 8 . 1 1 60 60 GLN CB C 60 28.009 28.009 27.925 0.084 19654 5601 1 8 . 1 1 60 60 GLN H H 60 8.678 8.678 8.709 -0.031 19654 5602 1 8 . 1 1 61 61 GLY N N 61 106.140 106.140 105.641 0.499 19654 5603 1 8 . 1 1 61 61 GLY CA C 61 47.085 47.085 46.789 0.296 19654 5604 1 8 . 1 1 61 61 GLY H H 61 7.975 7.975 8.035 -0.060 19654 5605 1 8 . 1 1 62 62 MET N N 62 120.973 120.973 119.396 1.577 19654 5606 1 8 . 1 1 62 62 MET HA H 62 4.080 4.080 4.491 -0.411 19654 5607 1 8 . 1 1 62 62 MET CA C 62 58.752 58.752 57.714 1.038 19654 5608 1 8 . 1 1 62 62 MET CB C 62 33.824 33.824 33.235 0.589 19654 5609 1 8 . 1 1 62 62 MET H H 62 8.007 8.007 7.732 0.275 19654 5610 1 8 . 1 1 63 63 LEU N N 63 119.043 119.043 122.071 -3.028 19654 5611 1 8 . 1 1 63 63 LEU HA H 63 4.139 4.139 4.048 0.091 19654 5612 1 8 . 1 1 63 63 LEU CA C 63 57.645 57.645 58.333 -0.688 19654 5613 1 8 . 1 1 63 63 LEU CB C 63 42.173 42.173 41.760 0.413 19654 5614 1 8 . 1 1 63 63 LEU H H 63 8.394 8.394 8.848 -0.454 19654 5615 1 8 . 1 1 64 64 ARG N N 64 117.294 117.294 118.466 -1.172 19654 5616 1 8 . 1 1 64 64 ARG HA H 64 4.090 4.090 4.077 0.013 19654 5617 1 8 . 1 1 64 64 ARG CA C 64 58.551 58.551 58.724 -0.173 19654 5618 1 8 . 1 1 64 64 ARG CB C 64 29.772 29.772 29.687 0.085 19654 5619 1 8 . 1 1 64 64 ARG H H 64 7.912 7.912 7.927 -0.015 19654 5620 1 8 . 1 1 65 65 LYS N N 65 116.840 116.840 118.327 -1.487 19654 5621 1 8 . 1 1 65 65 LYS HA H 65 4.165 4.165 4.211 -0.046 19654 5622 1 8 . 1 1 65 65 LYS CA C 65 57.175 57.175 57.665 -0.490 19654 5623 1 8 . 1 1 65 65 LYS CB C 65 32.299 32.299 32.395 -0.096 19654 5624 1 8 . 1 1 65 65 LYS H H 65 7.506 7.506 7.798 -0.292 19654 5625 1 8 . 1 1 66 66 LEU N N 66 119.257 119.257 119.158 0.099 19654 5626 1 8 . 1 1 66 66 LEU HA H 66 4.232 4.232 4.236 -0.004 19654 5627 1 8 . 1 1 66 66 LEU CA C 66 55.442 55.442 56.521 -1.079 19654 5628 1 8 . 1 1 66 66 LEU CB C 66 43.042 43.042 42.595 0.447 19654 5629 1 8 . 1 1 66 66 LEU H H 66 7.736 7.736 7.864 -0.128 19654 5630 1 8 . 1 1 67 67 ASP N N 67 119.743 119.743 118.477 1.266 19654 5631 1 8 . 1 1 67 67 ASP HA H 67 4.457 4.457 4.240 0.217 19654 5632 1 8 . 1 1 67 67 ASP CA C 67 53.850 53.850 54.624 -0.774 19654 5633 1 8 . 1 1 67 67 ASP CB C 67 40.195 40.195 40.489 -0.294 19654 5634 1 8 . 1 1 67 67 ASP H H 67 8.068 8.068 7.998 0.070 19654 5635 1 8 . 1 1 68 68 ILE N N 68 120.055 120.055 120.736 -0.681 19654 5636 1 8 . 1 1 68 68 ILE HA H 68 3.870 3.870 3.995 -0.125 19654 5637 1 8 . 1 1 68 68 ILE CA C 68 61.524 61.524 61.653 -0.129 19654 5638 1 8 . 1 1 68 68 ILE CB C 68 37.986 37.986 37.072 0.914 19654 5639 1 8 . 1 1 68 68 ILE H H 68 8.275 8.275 8.389 -0.114 19654 5640 1 8 . 1 1 69 69 LYS N N 69 126.186 126.186 127.437 -1.251 19654 5641 1 8 . 1 1 69 69 LYS HA H 69 4.481 4.481 4.422 0.059 19654 5642 1 8 . 1 1 69 69 LYS CA C 69 56.304 56.304 55.685 0.619 19654 5643 1 8 . 1 1 69 69 LYS CB C 69 34.136 34.136 33.266 0.870 19654 5644 1 8 . 1 1 69 69 LYS H H 69 9.722 9.722 8.891 0.831 19654 5645 1 8 . 1 1 70 70 ASN N N 70 115.056 115.056 115.478 -0.422 19654 5646 1 8 . 1 1 70 70 ASN HA H 70 4.700 4.700 4.787 -0.087 19654 5647 1 8 . 1 1 70 70 ASN CA C 70 51.977 51.977 52.245 -0.267 19654 5648 1 8 . 1 1 70 70 ASN CB C 70 39.474 39.474 39.740 -0.266 19654 5649 1 8 . 1 1 70 70 ASN H H 70 7.959 7.959 8.279 -0.320 19654 5650 1 8 . 1 1 71 71 GLU N N 71 118.214 118.214 119.734 -1.520 19654 5651 1 8 . 1 1 71 71 GLU HA H 71 3.967 3.967 3.909 0.058 19654 5652 1 8 . 1 1 71 71 GLU CA C 71 59.354 59.354 59.745 -0.391 19654 5653 1 8 . 1 1 71 71 GLU CB C 71 29.520 29.520 29.619 -0.099 19654 5654 1 8 . 1 1 71 71 GLU H H 71 8.831 8.831 8.875 -0.044 19654 5655 1 8 . 1 1 72 72 ASP N N 72 120.319 120.319 117.988 2.331 19654 5656 1 8 . 1 1 72 72 ASP HA H 72 4.422 4.422 4.334 0.088 19654 5657 1 8 . 1 1 72 72 ASP CA C 72 57.036 57.036 57.496 -0.460 19654 5658 1 8 . 1 1 72 72 ASP CB C 72 39.945 39.945 40.564 -0.619 19654 5659 1 8 . 1 1 72 72 ASP H H 72 8.167 8.167 8.109 0.058 19654 5660 1 8 . 1 1 73 73 ASP N N 73 119.793 119.793 119.398 0.395 19654 5661 1 8 . 1 1 73 73 ASP HA H 73 4.521 4.521 4.378 0.143 19654 5662 1 8 . 1 1 73 73 ASP CA C 73 56.337 56.337 57.353 -1.016 19654 5663 1 8 . 1 1 73 73 ASP CB C 73 41.927 41.927 40.596 1.331 19654 5664 1 8 . 1 1 73 73 ASP H H 73 8.153 8.153 7.894 0.259 19654 5665 1 8 . 1 1 74 74 VAL N N 74 117.572 117.572 120.147 -2.575 19654 5666 1 8 . 1 1 74 74 VAL HA H 74 3.714 3.714 3.653 0.061 19654 5667 1 8 . 1 1 74 74 VAL CA C 74 65.498 65.498 66.514 -1.016 19654 5668 1 8 . 1 1 74 74 VAL CB C 74 31.077 31.077 31.519 -0.442 19654 5669 1 8 . 1 1 74 74 VAL H H 74 7.629 7.629 7.428 0.201 19654 5670 1 8 . 1 1 75 75 LYS N N 75 119.403 119.403 119.871 -0.468 19654 5671 1 8 . 1 1 75 75 LYS HA H 75 4.154 4.154 4.113 0.041 19654 5672 1 8 . 1 1 75 75 LYS CA C 75 59.034 59.034 58.347 0.687 19654 5673 1 8 . 1 1 75 75 LYS CB C 75 31.909 31.909 31.487 0.422 19654 5674 1 8 . 1 1 75 75 LYS H H 75 7.961 7.961 8.215 -0.254 19654 5675 1 8 . 1 1 76 76 SER N N 76 114.355 114.355 116.373 -2.018 19654 5676 1 8 . 1 1 76 76 SER HA H 76 4.453 4.453 4.260 0.193 19654 5677 1 8 . 1 1 76 76 SER CA C 76 60.061 60.061 61.168 -1.107 19654 5678 1 8 . 1 1 76 76 SER CB C 76 63.023 63.023 62.894 0.129 19654 5679 1 8 . 1 1 76 76 SER H H 76 7.919 7.919 7.912 0.007 19654 5680 1 8 . 1 1 77 77 LEU N N 77 121.954 121.954 120.913 1.041 19654 5681 1 8 . 1 1 77 77 LEU HA H 77 4.230 4.230 4.042 0.188 19654 5682 1 8 . 1 1 77 77 LEU CA C 77 56.764 56.764 57.466 -0.702 19654 5683 1 8 . 1 1 77 77 LEU CB C 77 41.695 41.695 41.535 0.160 19654 5684 1 8 . 1 1 77 77 LEU H H 77 7.883 7.883 8.061 -0.178 19654 5685 1 8 . 1 1 78 78 SER N N 78 115.268 115.268 113.892 1.376 19654 5686 1 8 . 1 1 78 78 SER HA H 78 3.962 3.962 4.136 -0.174 19654 5687 1 8 . 1 1 78 78 SER CA C 78 62.337 62.337 61.805 0.532 19654 5688 1 8 . 1 1 78 78 SER CB C 78 62.218 62.218 63.000 -0.782 19654 5689 1 8 . 1 1 78 78 SER H H 78 8.185 8.185 7.814 0.371 19654 5690 1 8 . 1 1 79 79 ARG N N 79 119.021 119.021 120.344 -1.323 19654 5691 1 8 . 1 1 79 79 ARG HA H 79 4.090 4.090 4.144 -0.054 19654 5692 1 8 . 1 1 79 79 ARG CA C 79 58.849 58.849 58.697 0.152 19654 5693 1 8 . 1 1 79 79 ARG CB C 79 29.930 29.930 29.838 0.092 19654 5694 1 8 . 1 1 79 79 ARG H H 79 7.684 7.684 7.723 -0.039 19654 5695 1 8 . 1 1 80 80 VAL N N 80 116.979 116.979 120.430 -3.451 19654 5696 1 8 . 1 1 80 80 VAL HA H 80 3.953 3.953 3.679 0.274 19654 5697 1 8 . 1 1 80 80 VAL CA C 80 64.228 64.228 66.250 -2.022 19654 5698 1 8 . 1 1 80 80 VAL CB C 80 32.210 32.210 31.627 0.583 19654 5699 1 8 . 1 1 80 80 VAL H H 80 7.479 7.479 7.310 0.169 19654 5700 1 8 . 1 1 81 81 MET N N 81 117.822 117.822 118.668 -0.846 19654 5701 1 8 . 1 1 81 81 MET HA H 81 4.053 4.053 4.114 -0.061 19654 5702 1 8 . 1 1 81 81 MET CA C 81 58.322 58.322 57.515 0.807 19654 5703 1 8 . 1 1 81 81 MET CB C 81 32.555 32.555 31.403 1.152 19654 5704 1 8 . 1 1 81 81 MET H H 81 8.104 8.104 8.274 -0.170 19654 5705 1 8 . 1 1 82 82 ILE N N 82 116.348 116.348 118.083 -1.735 19654 5706 1 8 . 1 1 82 82 ILE HA H 82 3.815 3.815 3.842 -0.027 19654 5707 1 8 . 1 1 82 82 ILE CA C 82 63.653 63.653 64.946 -1.293 19654 5708 1 8 . 1 1 82 82 ILE CB C 82 37.879 37.879 37.418 0.461 19654 5709 1 8 . 1 1 82 82 ILE H H 82 7.789 7.789 7.932 -0.143 19654 5710 1 8 . 1 1 83 83 HIS N N 83 118.994 118.994 117.272 1.722 19654 5711 1 8 . 1 1 83 83 HIS HA H 83 4.409 4.409 4.483 -0.074 19654 5712 1 8 . 1 1 83 83 HIS CA C 83 58.245 58.245 59.300 -1.056 19654 5713 1 8 . 1 1 83 83 HIS CB C 83 29.735 29.735 29.909 -0.174 19654 5714 1 8 . 1 1 83 83 HIS H H 83 7.543 7.543 7.554 -0.011 19654 5715 1 8 . 1 1 84 84 VAL N N 84 117.112 117.112 121.096 -3.984 19654 5716 1 8 . 1 1 84 84 VAL HA H 84 3.631 3.631 3.660 -0.029 19654 5717 1 8 . 1 1 84 84 VAL CA C 84 64.628 64.628 66.373 -1.745 19654 5718 1 8 . 1 1 84 84 VAL CB C 84 31.904 31.904 31.366 0.538 19654 5719 1 8 . 1 1 84 84 VAL H H 84 7.713 7.713 7.753 -0.040 19654 5720 1 8 . 1 1 85 85 PHE N N 85 115.531 115.531 114.864 0.667 19654 5721 1 8 . 1 1 85 85 PHE HA H 85 4.733 4.733 4.546 0.187 19654 5722 1 8 . 1 1 85 85 PHE CA C 85 57.326 57.326 57.735 -0.409 19654 5723 1 8 . 1 1 85 85 PHE CB C 85 39.507 39.507 37.643 1.864 19654 5724 1 8 . 1 1 85 85 PHE H H 85 7.743 7.743 7.507 0.236 19654 5725 1 8 . 1 1 86 86 SER N N 86 114.812 114.812 115.198 -0.386 19654 5726 1 8 . 1 1 86 86 SER HA H 86 4.275 4.275 4.310 -0.035 19654 5727 1 8 . 1 1 86 86 SER CA C 86 59.832 59.832 60.259 -0.427 19654 5728 1 8 . 1 1 86 86 SER CB C 86 63.482 63.482 63.797 -0.315 19654 5729 1 8 . 1 1 86 86 SER H H 86 7.634 7.634 7.671 -0.037 19654 5730 1 8 . 1 1 87 87 ASP N N 87 120.986 120.986 122.232 -1.246 19654 5731 1 8 . 1 1 87 87 ASP HA H 87 4.491 4.491 4.674 -0.183 19654 5732 1 8 . 1 1 87 87 ASP CA C 87 54.032 54.032 54.097 -0.065 19654 5733 1 8 . 1 1 87 87 ASP CB C 87 40.411 40.411 41.422 -1.011 19654 5734 1 8 . 1 1 87 87 ASP H H 87 8.043 8.043 7.436 0.607 19654 5735 1 8 . 1 1 88 88 GLY N N 88 108.171 108.171 113.753 -5.582 19654 5736 1 8 . 1 1 88 88 GLY CA C 88 44.981 44.981 44.715 0.266 19654 5737 1 8 . 1 1 88 88 GLY H H 88 8.163 8.163 8.543 -0.380 19654 5738 1 8 . 1 1 89 89 VAL N N 89 121.716 121.716 120.071 1.645 19654 5739 1 8 . 1 1 89 89 VAL HA H 89 3.879 3.879 3.896 -0.017 19654 5740 1 8 . 1 1 89 89 VAL CA C 89 62.471 62.471 62.540 -0.069 19654 5741 1 8 . 1 1 89 89 VAL CB C 89 32.418 32.418 32.031 0.387 19654 5742 1 8 . 1 1 89 89 VAL H H 89 7.886 7.886 7.420 0.466 19654 5743 1 8 . 1 1 90 90 THR N N 90 121.669 121.669 111.324 10.345 19654 5744 1 8 . 1 1 90 90 THR HA H 90 3.657 3.657 3.642 0.015 19654 5745 1 8 . 1 1 90 90 THR CA C 90 62.473 62.473 63.585 -1.112 19654 5746 1 8 . 1 1 90 90 THR CB C 90 68.528 68.528 67.346 1.182 19654 5747 1 8 . 1 1 90 90 THR H H 90 8.201 8.201 8.244 -0.043 19654 5748 1 8 . 1 1 91 91 ASN HA H 91 4.162 4.162 4.253 -0.091 19654 5749 1 8 . 1 1 91 91 ASN CA C 91 51.748 51.748 51.859 -0.111 19654 5750 1 8 . 1 1 91 91 ASN CB C 91 39.645 39.645 38.116 1.529 19654 5751 1 8 . 1 1 91 91 ASN H H 91 8.826 8.826 7.903 0.923 19654 5752 1 8 . 1 1 92 92 TRP N N 92 118.437 118.437 116.177 2.260 19654 5753 1 8 . 1 1 92 92 TRP HA H 92 4.739 4.739 4.216 0.523 19654 5754 1 8 . 1 1 92 92 TRP CA C 92 60.233 60.233 59.161 1.072 19654 5755 1 8 . 1 1 92 92 TRP CB C 92 30.167 30.167 27.069 3.098 19654 5756 1 8 . 1 1 92 92 TRP H H 92 8.942 8.942 7.800 1.142 19654 5757 1 8 . 1 1 93 93 GLY N N 93 108.154 108.154 106.854 1.300 19654 5758 1 8 . 1 1 93 93 GLY CA C 93 47.544 47.544 46.896 0.648 19654 5759 1 8 . 1 1 93 93 GLY H H 93 8.697 8.697 8.237 0.460 19654 5760 1 8 . 1 1 94 94 ARG N N 94 122.547 122.547 121.153 1.394 19654 5761 1 8 . 1 1 94 94 ARG HA H 94 4.072 4.072 4.167 -0.095 19654 5762 1 8 . 1 1 94 94 ARG CA C 94 58.556 58.556 57.929 0.627 19654 5763 1 8 . 1 1 94 94 ARG CB C 94 30.201 30.201 29.339 0.862 19654 5764 1 8 . 1 1 94 94 ARG H H 94 8.353 8.353 7.827 0.526 19654 5765 1 8 . 1 1 95 95 ILE N N 95 120.130 120.130 120.068 0.062 19654 5766 1 8 . 1 1 95 95 ILE HA H 95 3.708 3.708 4.043 -0.335 19654 5767 1 8 . 1 1 95 95 ILE CA C 95 65.511 65.511 63.874 1.637 19654 5768 1 8 . 1 1 95 95 ILE CB C 95 37.486 37.486 36.874 0.612 19654 5769 1 8 . 1 1 95 95 ILE H H 95 7.545 7.545 8.053 -0.508 19654 5770 1 8 . 1 1 96 96 VAL N N 96 119.403 119.403 120.276 -0.873 19654 5771 1 8 . 1 1 96 96 VAL HA H 96 3.723 3.723 3.691 0.032 19654 5772 1 8 . 1 1 96 96 VAL CA C 96 67.249 67.249 67.400 -0.151 19654 5773 1 8 . 1 1 96 96 VAL CB C 96 31.001 31.001 31.159 -0.158 19654 5774 1 8 . 1 1 96 96 VAL H H 96 8.990 8.990 7.830 1.160 19654 5775 1 8 . 1 1 97 97 THR N N 97 122.016 122.016 117.286 4.730 19654 5776 1 8 . 1 1 97 97 THR HA H 97 3.784 3.784 3.970 -0.186 19654 5777 1 8 . 1 1 97 97 THR CA C 97 68.159 68.159 67.033 1.126 19654 5778 1 8 . 1 1 97 97 THR CB C 97 67.212 67.212 68.647 -1.435 19654 5779 1 8 . 1 1 97 97 THR H H 97 8.605 8.605 8.033 0.572 19654 5780 1 8 . 1 1 98 98 LEU N N 98 122.476 122.476 123.274 -0.798 19654 5781 1 8 . 1 1 98 98 LEU HA H 98 3.805 3.805 4.043 -0.238 19654 5782 1 8 . 1 1 98 98 LEU CA C 98 58.818 58.818 58.223 0.595 19654 5783 1 8 . 1 1 98 98 LEU CB C 98 41.158 41.158 41.792 -0.634 19654 5784 1 8 . 1 1 98 98 LEU H H 98 7.769 7.769 7.811 -0.042 19654 5785 1 8 . 1 1 99 99 ILE N N 99 117.997 117.997 117.830 0.167 19654 5786 1 8 . 1 1 99 99 ILE HA H 99 3.509 3.509 3.693 -0.184 19654 5787 1 8 . 1 1 99 99 ILE CA C 99 66.261 66.261 65.537 0.725 19654 5788 1 8 . 1 1 99 99 ILE CB C 99 38.350 38.350 37.482 0.868 19654 5789 1 8 . 1 1 99 99 ILE H H 99 8.175 8.175 8.108 0.067 19654 5790 1 8 . 1 1 100 100 SER N N 100 116.934 116.934 117.702 -0.768 19654 5791 1 8 . 1 1 100 100 SER HA H 100 4.447 4.447 4.375 0.072 19654 5792 1 8 . 1 1 100 100 SER CA C 100 63.290 63.290 62.309 0.982 19654 5793 1 8 . 1 1 100 100 SER CB C 100 62.867 62.867 63.021 -0.154 19654 5794 1 8 . 1 1 100 100 SER H H 100 8.989 8.989 8.673 0.316 19654 5795 1 8 . 1 1 101 101 PHE N N 101 124.640 124.640 123.856 0.784 19654 5796 1 8 . 1 1 101 101 PHE HA H 101 3.420 3.420 4.093 -0.673 19654 5797 1 8 . 1 1 101 101 PHE CA C 101 60.499 60.499 59.894 0.605 19654 5798 1 8 . 1 1 101 101 PHE CB C 101 37.333 37.333 38.371 -1.038 19654 5799 1 8 . 1 1 101 101 PHE H H 101 8.513 8.513 8.125 0.388 19654 5800 1 8 . 1 1 102 102 GLY N N 102 106.116 106.116 106.925 -0.809 19654 5801 1 8 . 1 1 102 102 GLY CA C 102 48.166 48.166 46.980 1.186 19654 5802 1 8 . 1 1 102 102 GLY H H 102 8.111 8.111 8.087 0.024 19654 5803 1 8 . 1 1 103 103 ALA N N 103 124.560 124.560 124.791 -0.231 19654 5804 1 8 . 1 1 103 103 ALA HA H 103 3.780 3.780 3.945 -0.165 19654 5805 1 8 . 1 1 103 103 ALA CA C 103 55.646 55.646 54.749 0.897 19654 5806 1 8 . 1 1 103 103 ALA CB C 103 18.476 18.476 18.572 -0.096 19654 5807 1 8 . 1 1 103 103 ALA H H 103 8.437 8.437 8.290 0.147 19654 5808 1 8 . 1 1 104 104 PHE N N 104 120.981 120.981 120.525 0.456 19654 5809 1 8 . 1 1 104 104 PHE HA H 104 3.989 3.989 4.220 -0.231 19654 5810 1 8 . 1 1 104 104 PHE CA C 104 62.258 62.258 60.907 1.351 19654 5811 1 8 . 1 1 104 104 PHE CB C 104 39.949 39.949 39.333 0.617 19654 5812 1 8 . 1 1 104 104 PHE H H 104 8.213 8.213 8.318 -0.105 19654 5813 1 8 . 1 1 105 105 VAL N N 105 120.473 120.473 119.425 1.048 19654 5814 1 8 . 1 1 105 105 VAL HA H 105 3.236 3.236 3.202 0.034 19654 5815 1 8 . 1 1 105 105 VAL CA C 105 66.348 66.348 66.390 -0.042 19654 5816 1 8 . 1 1 105 105 VAL CB C 105 30.720 30.720 30.872 -0.152 19654 5817 1 8 . 1 1 105 105 VAL H H 105 8.513 8.513 8.128 0.385 19654 5818 1 8 . 1 1 106 106 ALA N N 106 123.948 123.948 123.006 0.942 19654 5819 1 8 . 1 1 106 106 ALA HA H 106 3.660 3.660 3.761 -0.101 19654 5820 1 8 . 1 1 106 106 ALA CA C 106 55.607 55.607 55.540 0.067 19654 5821 1 8 . 1 1 106 106 ALA CB C 106 18.003 18.003 18.041 -0.038 19654 5822 1 8 . 1 1 106 106 ALA H H 106 8.807 8.807 8.353 0.454 19654 5823 1 8 . 1 1 107 107 LYS N N 107 115.836 115.836 118.110 -2.274 19654 5824 1 8 . 1 1 107 107 LYS HA H 107 3.733 3.733 3.831 -0.098 19654 5825 1 8 . 1 1 107 107 LYS CA C 107 60.462 60.462 59.789 0.673 19654 5826 1 8 . 1 1 107 107 LYS CB C 107 31.907 31.907 32.156 -0.249 19654 5827 1 8 . 1 1 107 107 LYS H H 107 7.934 7.934 7.629 0.305 19654 5828 1 8 . 1 1 108 108 HIS N N 108 120.459 120.459 119.163 1.296 19654 5829 1 8 . 1 1 108 108 HIS HA H 108 4.212 4.212 4.249 -0.037 19654 5830 1 8 . 1 1 108 108 HIS CA C 108 59.623 59.623 59.340 0.283 19654 5831 1 8 . 1 1 108 108 HIS CB C 108 29.838 29.838 29.550 0.288 19654 5832 1 8 . 1 1 108 108 HIS H H 108 7.254 7.254 7.294 -0.040 19654 5833 1 8 . 1 1 109 109 LEU N N 109 118.336 118.336 120.513 -2.177 19654 5834 1 8 . 1 1 109 109 LEU HA H 109 3.640 3.640 3.810 -0.170 19654 5835 1 8 . 1 1 109 109 LEU CA C 109 56.945 56.945 58.070 -1.125 19654 5836 1 8 . 1 1 109 109 LEU CB C 109 39.709 39.709 41.662 -1.953 19654 5837 1 8 . 1 1 109 109 LEU H H 109 8.709 8.709 8.511 0.198 19654 5838 1 8 . 1 1 110 110 LYS N N 110 118.036 118.036 118.718 -0.682 19654 5839 1 8 . 1 1 110 110 LYS HA H 110 3.944 3.944 3.904 0.040 19654 5840 1 8 . 1 1 110 110 LYS CA C 110 58.967 58.967 59.634 -0.667 19654 5841 1 8 . 1 1 110 110 LYS CB C 110 32.220 32.220 32.187 0.033 19654 5842 1 8 . 1 1 110 110 LYS H H 110 7.752 7.752 7.904 -0.152 19654 5843 1 8 . 1 1 111 111 THR N N 111 115.985 115.985 116.558 -0.573 19654 5844 1 8 . 1 1 111 111 THR HA H 111 3.990 3.990 3.964 0.026 19654 5845 1 8 . 1 1 111 111 THR CA C 111 65.921 65.921 66.079 -0.158 19654 5846 1 8 . 1 1 111 111 THR CB C 111 68.611 68.611 68.734 -0.123 19654 5847 1 8 . 1 1 111 111 THR H H 111 7.832 7.832 7.768 0.064 19654 5848 1 8 . 1 1 112 112 ILE N N 112 112.606 112.606 113.941 -1.335 19654 5849 1 8 . 1 1 112 112 ILE HA H 112 4.454 4.454 4.289 0.165 19654 5850 1 8 . 1 1 112 112 ILE CA C 112 60.922 60.922 60.954 -0.032 19654 5851 1 8 . 1 1 112 112 ILE CB C 112 36.813 36.813 37.379 -0.566 19654 5852 1 8 . 1 1 112 112 ILE H H 112 7.262 7.262 7.584 -0.322 19654 5853 1 8 . 1 1 113 113 ASN N N 113 116.297 116.297 115.402 0.895 19654 5854 1 8 . 1 1 113 113 ASN HA H 113 4.576 4.576 4.456 0.120 19654 5855 1 8 . 1 1 113 113 ASN CA C 113 54.653 54.653 55.045 -0.392 19654 5856 1 8 . 1 1 113 113 ASN CB C 113 36.497 36.497 37.228 -0.731 19654 5857 1 8 . 1 1 113 113 ASN H H 113 7.816 7.816 7.916 -0.100 19654 5858 1 8 . 1 1 114 114 GLN N N 114 117.958 117.958 118.245 -0.287 19654 5859 1 8 . 1 1 114 114 GLN HA H 114 4.739 4.739 4.343 0.396 19654 5860 1 8 . 1 1 114 114 GLN CA C 114 54.079 54.079 54.987 -0.908 19654 5861 1 8 . 1 1 114 114 GLN CB C 114 28.840 28.840 26.241 2.599 19654 5862 1 8 . 1 1 114 114 GLN H H 114 8.522 8.522 8.311 0.211 19654 5863 1 8 . 1 1 115 115 GLU N N 115 120.597 120.597 121.874 -1.277 19654 5864 1 8 . 1 1 115 115 GLU HA H 115 3.646 3.646 3.920 -0.274 19654 5865 1 8 . 1 1 115 115 GLU CA C 115 59.569 59.569 59.921 -0.352 19654 5866 1 8 . 1 1 115 115 GLU CB C 115 29.061 29.061 29.429 -0.368 19654 5867 1 8 . 1 1 115 115 GLU H H 115 8.881 8.881 7.754 1.127 19654 5868 1 8 . 1 1 116 116 SER N N 116 115.352 115.352 114.132 1.220 19654 5869 1 8 . 1 1 116 116 SER HA H 116 4.250 4.250 4.206 0.044 19654 5870 1 8 . 1 1 116 116 SER CA C 116 60.593 60.593 61.178 -0.585 19654 5871 1 8 . 1 1 116 116 SER CB C 116 62.231 62.231 62.522 -0.291 19654 5872 1 8 . 1 1 116 116 SER H H 116 8.702 8.702 8.648 0.054 19654 5873 1 8 . 1 1 117 117 SER N N 117 116.944 116.944 118.700 -1.756 19654 5874 1 8 . 1 1 117 117 SER HA H 117 4.461 4.461 4.148 0.313 19654 5875 1 8 . 1 1 117 117 SER CA C 117 60.219 60.219 61.811 -1.592 19654 5876 1 8 . 1 1 117 117 SER CB C 117 64.116 64.116 62.931 1.185 19654 5877 1 8 . 1 1 117 117 SER H H 117 7.963 7.963 7.528 0.435 19654 5878 1 8 . 1 1 118 118 ILE N N 118 122.505 122.505 121.736 0.769 19654 5879 1 8 . 1 1 118 118 ILE HA H 118 3.419 3.419 3.526 -0.107 19654 5880 1 8 . 1 1 118 118 ILE CA C 118 66.227 66.227 65.297 0.930 19654 5881 1 8 . 1 1 118 118 ILE CB C 118 36.723 36.723 37.573 -0.850 19654 5882 1 8 . 1 1 118 118 ILE H H 118 7.945 7.945 7.457 0.488 19654 5883 1 8 . 1 1 119 119 GLU N N 119 119.604 119.604 119.786 -0.182 19654 5884 1 8 . 1 1 119 119 GLU HA H 119 4.244 4.244 4.214 0.030 19654 5885 1 8 . 1 1 119 119 GLU CA C 119 61.540 61.540 60.940 0.600 19654 5886 1 8 . 1 1 119 119 GLU CB C 119 26.092 26.092 27.900 -1.808 19654 5887 1 8 . 1 1 119 119 GLU H H 119 8.244 8.244 7.746 0.498 19654 5888 1 8 . 1 1 120 120 PRO HA H 120 4.446 4.446 4.488 -0.042 19654 5889 1 8 . 1 1 120 120 PRO CA C 120 65.583 65.583 65.462 0.121 19654 5890 1 8 . 1 1 120 120 PRO CB C 120 30.167 30.167 31.466 -1.299 19654 5891 1 8 . 1 1 121 121 LEU N N 121 120.974 120.974 119.844 1.130 19654 5892 1 8 . 1 1 121 121 LEU HA H 121 3.990 3.990 4.057 -0.067 19654 5893 1 8 . 1 1 121 121 LEU CA C 121 58.436 58.436 57.635 0.801 19654 5894 1 8 . 1 1 121 121 LEU CB C 121 40.988 40.988 41.669 -0.681 19654 5895 1 8 . 1 1 121 121 LEU H H 121 7.587 7.587 7.883 -0.296 19654 5896 1 8 . 1 1 122 122 ALA N N 122 121.982 121.982 121.042 0.940 19654 5897 1 8 . 1 1 122 122 ALA HA H 122 3.743 3.743 3.890 -0.147 19654 5898 1 8 . 1 1 122 122 ALA CA C 122 55.233 55.233 55.192 0.041 19654 5899 1 8 . 1 1 122 122 ALA CB C 122 17.687 17.687 17.891 -0.204 19654 5900 1 8 . 1 1 122 122 ALA H H 122 8.593 8.593 7.986 0.607 19654 5901 1 8 . 1 1 123 123 GLU N N 123 120.516 120.516 119.090 1.426 19654 5902 1 8 . 1 1 123 123 GLU HA H 123 3.862 3.862 3.935 -0.073 19654 5903 1 8 . 1 1 123 123 GLU CA C 123 59.995 59.995 59.578 0.417 19654 5904 1 8 . 1 1 123 123 GLU CB C 123 29.298 29.298 29.560 -0.262 19654 5905 1 8 . 1 1 123 123 GLU H H 123 8.568 8.568 8.139 0.429 19654 5906 1 8 . 1 1 124 124 SER N N 124 116.054 116.054 116.396 -0.342 19654 5907 1 8 . 1 1 124 124 SER HA H 124 4.367 4.367 4.166 0.201 19654 5908 1 8 . 1 1 124 124 SER CA C 124 62.240 62.240 61.808 0.432 19654 5909 1 8 . 1 1 124 124 SER CB C 124 63.074 63.074 63.062 0.012 19654 5910 1 8 . 1 1 124 124 SER H H 124 8.282 8.282 7.934 0.348 19654 5911 1 8 . 1 1 125 125 ILE N N 125 120.575 120.575 121.881 -1.306 19654 5912 1 8 . 1 1 125 125 ILE HA H 125 3.627 3.627 3.846 -0.219 19654 5913 1 8 . 1 1 125 125 ILE CA C 125 64.655 64.655 64.333 0.322 19654 5914 1 8 . 1 1 125 125 ILE CB C 125 37.413 37.413 36.917 0.495 19654 5915 1 8 . 1 1 125 125 ILE H H 125 8.343 8.343 8.247 0.096 19654 5916 1 8 . 1 1 126 126 THR N N 126 116.459 116.459 116.186 0.273 19654 5917 1 8 . 1 1 126 126 THR HA H 126 3.482 3.482 4.001 -0.519 19654 5918 1 8 . 1 1 126 126 THR CA C 126 68.679 68.679 67.188 1.491 19654 5919 1 8 . 1 1 126 126 THR CB C 126 67.075 67.075 68.014 -0.939 19654 5920 1 8 . 1 1 126 126 THR H H 126 8.056 8.056 8.165 -0.109 19654 5921 1 8 . 1 1 127 127 ASP N N 127 120.236 120.236 122.113 -1.877 19654 5922 1 8 . 1 1 127 127 ASP HA H 127 4.481 4.481 4.616 -0.135 19654 5923 1 8 . 1 1 127 127 ASP CA C 127 58.322 58.322 57.732 0.590 19654 5924 1 8 . 1 1 127 127 ASP CB C 127 41.822 41.822 40.992 0.830 19654 5925 1 8 . 1 1 127 127 ASP H H 127 8.813 8.813 8.544 0.269 19654 5926 1 8 . 1 1 128 128 VAL N N 128 116.904 116.904 119.266 -2.362 19654 5927 1 8 . 1 1 128 128 VAL HA H 128 3.677 3.677 3.810 -0.133 19654 5928 1 8 . 1 1 128 128 VAL CA C 128 66.346 66.346 66.141 0.205 19654 5929 1 8 . 1 1 128 128 VAL CB C 128 31.351 31.351 31.427 -0.076 19654 5930 1 8 . 1 1 128 128 VAL H H 128 7.949 7.949 7.731 0.218 19654 5931 1 8 . 1 1 129 129 LEU N N 129 121.043 121.043 121.623 -0.580 19654 5932 1 8 . 1 1 129 129 LEU HA H 129 3.819 3.819 4.009 -0.190 19654 5933 1 8 . 1 1 129 129 LEU CA C 129 58.742 58.742 58.487 0.255 19654 5934 1 8 . 1 1 129 129 LEU CB C 129 42.370 42.370 41.944 0.426 19654 5935 1 8 . 1 1 129 129 LEU H H 129 8.198 8.198 7.916 0.282 19654 5936 1 8 . 1 1 130 130 VAL N N 130 114.370 114.370 117.003 -2.633 19654 5937 1 8 . 1 1 130 130 VAL HA H 130 3.525 3.525 3.744 -0.219 19654 5938 1 8 . 1 1 130 130 VAL CA C 130 66.004 66.004 65.880 0.124 19654 5939 1 8 . 1 1 130 130 VAL CB C 130 31.320 31.320 31.555 -0.235 19654 5940 1 8 . 1 1 130 130 VAL H H 130 8.858 8.858 8.411 0.447 19654 5941 1 8 . 1 1 131 131 ARG N N 131 115.890 115.890 120.233 -4.343 19654 5942 1 8 . 1 1 131 131 ARG HA H 131 4.284 4.284 4.100 0.184 19654 5943 1 8 . 1 1 131 131 ARG CA C 131 59.255 59.255 58.966 0.289 19654 5944 1 8 . 1 1 131 131 ARG CB C 131 30.009 30.009 30.082 -0.073 19654 5945 1 8 . 1 1 131 131 ARG H H 131 8.619 8.619 8.110 0.509 19654 5946 1 8 . 1 1 132 132 THR N N 132 106.654 106.654 109.805 -3.151 19654 5947 1 8 . 1 1 132 132 THR HA H 132 4.464 4.464 4.387 0.077 19654 5948 1 8 . 1 1 132 132 THR CA C 132 64.081 64.081 62.557 1.524 19654 5949 1 8 . 1 1 132 132 THR CB C 132 69.870 69.870 69.672 0.198 19654 5950 1 8 . 1 1 132 132 THR H H 132 7.530 7.530 7.632 -0.102 19654 5951 1 8 . 1 1 133 133 LYS N N 133 117.426 117.426 120.725 -3.299 19654 5952 1 8 . 1 1 133 133 LYS HA H 133 5.029 5.029 4.791 0.238 19654 5953 1 8 . 1 1 133 133 LYS CA C 133 53.009 53.009 54.271 -1.262 19654 5954 1 8 . 1 1 133 133 LYS CB C 133 31.044 31.044 32.012 -0.968 19654 5955 1 8 . 1 1 133 133 LYS H H 133 7.691 7.691 7.571 0.120 19654 5956 1 8 . 1 1 134 134 ARG N N 134 120.904 120.904 121.350 -0.446 19654 5957 1 8 . 1 1 134 134 ARG HA H 134 3.679 3.679 3.827 -0.148 19654 5958 1 8 . 1 1 134 134 ARG CA C 134 61.456 61.456 61.111 0.345 19654 5959 1 8 . 1 1 134 134 ARG CB C 134 30.261 30.261 30.177 0.084 19654 5960 1 8 . 1 1 134 134 ARG H H 134 7.341 7.341 7.910 -0.569 19654 5961 1 8 . 1 1 135 135 ASP N N 135 114.262 114.262 117.747 -3.485 19654 5962 1 8 . 1 1 135 135 ASP HA H 135 4.238 4.238 4.277 -0.039 19654 5963 1 8 . 1 1 135 135 ASP CA C 135 57.595 57.595 56.610 0.985 19654 5964 1 8 . 1 1 135 135 ASP CB C 135 39.961 39.961 39.153 0.808 19654 5965 1 8 . 1 1 135 135 ASP H H 135 8.386 8.386 8.771 -0.385 19654 5966 1 8 . 1 1 136 136 TRP N N 136 121.564 121.564 120.734 0.830 19654 5967 1 8 . 1 1 136 136 TRP HA H 136 3.858 3.858 4.478 -0.620 19654 5968 1 8 . 1 1 136 136 TRP CA C 136 62.373 62.373 58.758 3.615 19654 5969 1 8 . 1 1 136 136 TRP CB C 136 28.807 28.807 29.424 -0.617 19654 5970 1 8 . 1 1 136 136 TRP H H 136 7.844 7.844 7.546 0.298 19654 5971 1 8 . 1 1 137 137 LEU N N 137 117.395 117.395 119.848 -2.453 19654 5972 1 8 . 1 1 137 137 LEU HA H 137 3.461 3.461 3.911 -0.450 19654 5973 1 8 . 1 1 137 137 LEU CA C 137 58.325 58.325 58.204 0.121 19654 5974 1 8 . 1 1 137 137 LEU CB C 137 42.979 42.979 41.597 1.382 19654 5975 1 8 . 1 1 137 137 LEU H H 137 8.623 8.623 8.282 0.341 19654 5976 1 8 . 1 1 138 138 VAL N N 138 118.341 118.341 119.114 -0.773 19654 5977 1 8 . 1 1 138 138 VAL HA H 138 3.586 3.586 3.827 -0.241 19654 5978 1 8 . 1 1 138 138 VAL CA C 138 66.501 66.501 65.960 0.541 19654 5979 1 8 . 1 1 138 138 VAL CB C 138 31.588 31.588 31.883 -0.294 19654 5980 1 8 . 1 1 138 138 VAL H H 138 8.631 8.631 7.780 0.851 19654 5981 1 8 . 1 1 139 139 LYS N N 139 122.096 122.096 119.500 2.596 19654 5982 1 8 . 1 1 139 139 LYS HA H 139 3.941 3.941 4.149 -0.208 19654 5983 1 8 . 1 1 139 139 LYS CA C 139 58.925 58.925 58.437 0.488 19654 5984 1 8 . 1 1 139 139 LYS CB C 139 31.752 31.752 32.311 -0.559 19654 5985 1 8 . 1 1 139 139 LYS H H 139 7.695 7.695 8.271 -0.576 19654 5986 1 8 . 1 1 140 140 GLN N N 140 115.416 115.416 115.712 -0.296 19654 5987 1 8 . 1 1 140 140 GLN HA H 140 3.970 3.970 4.622 -0.652 19654 5988 1 8 . 1 1 140 140 GLN CA C 140 54.309 54.309 54.383 -0.074 19654 5989 1 8 . 1 1 140 140 GLN CB C 140 27.174 27.174 30.214 -3.040 19654 5990 1 8 . 1 1 140 140 GLN H H 140 7.344 7.344 8.028 -0.684 19654 5991 1 8 . 1 1 141 141 ARG N N 141 110.160 110.160 117.655 -7.495 19654 5992 1 8 . 1 1 141 141 ARG HA H 141 3.899 3.899 3.989 -0.090 19654 5993 1 8 . 1 1 141 141 ARG CA C 141 57.400 57.400 56.575 0.826 19654 5994 1 8 . 1 1 141 141 ARG CB C 141 25.640 25.640 27.485 -1.845 19654 5995 1 8 . 1 1 141 141 ARG H H 141 7.677 7.677 7.277 0.400 19654 5996 1 8 . 1 1 142 142 GLY N N 142 107.741 107.741 107.905 -0.164 19654 5997 1 8 . 1 1 142 142 GLY CA C 142 45.633 45.633 46.951 -1.318 19654 5998 1 8 . 1 1 142 142 GLY H H 142 8.931 8.931 8.750 0.181 19654 5999 1 8 . 1 1 143 143 TRP N N 143 123.871 123.871 120.081 3.790 19654 6000 1 8 . 1 1 143 143 TRP HA H 143 4.273 4.273 4.505 -0.232 19654 6001 1 8 . 1 1 143 143 TRP CA C 143 59.317 59.317 58.089 1.228 19654 6002 1 8 . 1 1 143 143 TRP CB C 143 28.435 28.435 29.384 -0.949 19654 6003 1 8 . 1 1 143 143 TRP H H 143 9.004 9.004 7.811 1.193 19654 6004 1 8 . 1 1 144 144 ASP N N 144 119.481 119.481 119.743 -0.262 19654 6005 1 8 . 1 1 144 144 ASP HA H 144 4.553 4.553 4.594 -0.041 19654 6006 1 8 . 1 1 144 144 ASP CA C 144 57.825 57.825 57.537 0.288 19654 6007 1 8 . 1 1 144 144 ASP CB C 144 40.435 40.435 41.176 -0.741 19654 6008 1 8 . 1 1 144 144 ASP H H 144 8.071 8.071 7.929 0.142 19654 6009 1 8 . 1 1 145 145 GLY N N 145 109.653 109.653 108.324 1.329 19654 6010 1 8 . 1 1 145 145 GLY CA C 145 46.856 46.856 46.961 -0.105 19654 6011 1 8 . 1 1 145 145 GLY H H 145 7.493 7.493 8.556 -1.063 19654 6012 1 8 . 1 1 146 146 PHE N N 146 124.053 124.053 121.863 2.190 19654 6013 1 8 . 1 1 146 146 PHE HA H 146 2.455 2.455 3.888 -1.433 19654 6014 1 8 . 1 1 146 146 PHE CA C 146 60.349 60.349 60.874 -0.525 19654 6015 1 8 . 1 1 146 146 PHE CB C 146 38.607 38.607 39.316 -0.710 19654 6016 1 8 . 1 1 146 146 PHE H H 146 7.257 7.257 8.056 -0.799 19654 6017 1 8 . 1 1 147 147 VAL N N 147 116.525 116.525 117.629 -1.104 19654 6018 1 8 . 1 1 147 147 VAL HA H 147 3.298 3.298 3.626 -0.328 19654 6019 1 8 . 1 1 147 147 VAL CA C 147 66.080 66.080 65.883 0.197 19654 6020 1 8 . 1 1 147 147 VAL CB C 147 31.904 31.904 31.364 0.540 19654 6021 1 8 . 1 1 147 147 VAL H H 147 7.700 7.700 7.560 0.140 19654 6022 1 8 . 1 1 148 148 GLU N N 148 118.404 118.404 118.783 -0.379 19654 6023 1 8 . 1 1 148 148 GLU HA H 148 3.985 3.985 3.968 0.017 19654 6024 1 8 . 1 1 148 148 GLU CA C 148 58.933 58.933 58.297 0.636 19654 6025 1 8 . 1 1 148 148 GLU CB C 148 29.535 29.535 29.110 0.425 19654 6026 1 8 . 1 1 148 148 GLU H H 148 7.801 7.801 7.590 0.211 19654 6027 1 8 . 1 1 149 149 PHE N N 149 120.305 120.305 119.480 0.825 19654 6028 1 8 . 1 1 149 149 PHE HA H 149 3.970 3.970 3.900 0.070 19654 6029 1 8 . 1 1 149 149 PHE CA C 149 61.341 61.341 61.200 0.141 19654 6030 1 8 . 1 1 149 149 PHE CB C 149 39.011 39.011 39.518 -0.507 19654 6031 1 8 . 1 1 149 149 PHE H H 149 8.358 8.358 7.787 0.571 19654 6032 1 8 . 1 1 150 150 PHE N N 150 112.582 112.582 113.051 -0.469 19654 6033 1 8 . 1 1 150 150 PHE HA H 150 4.255 4.255 4.366 -0.111 19654 6034 1 8 . 1 1 150 150 PHE CA C 150 59.075 59.075 59.045 0.030 19654 6035 1 8 . 1 1 150 150 PHE CB C 150 39.487 39.487 39.714 -0.227 19654 6036 1 8 . 1 1 150 150 PHE H H 150 6.927 6.927 7.330 -0.403 19654 6037 1 8 . 1 1 151 151 HIS N N 151 118.966 118.966 114.081 4.885 19654 6038 1 8 . 1 1 151 151 HIS HA H 151 4.370 4.370 4.439 -0.069 19654 6039 1 8 . 1 1 151 151 HIS CA C 151 56.788 56.788 56.560 0.227 19654 6040 1 8 . 1 1 151 151 HIS CB C 151 28.827 28.827 27.076 1.751 19654 6041 1 8 . 1 1 151 151 HIS H H 151 7.483 7.483 7.282 0.201 19654 6042 1 8 . 1 1 152 152 VAL N N 152 120.499 120.499 124.018 -3.519 19654 6043 1 8 . 1 1 152 152 VAL HA H 152 3.950 3.950 4.078 -0.128 19654 6044 1 8 . 1 1 152 152 VAL CA C 152 62.110 62.110 65.294 -3.184 19654 6045 1 8 . 1 1 152 152 VAL CB C 152 32.593 32.593 32.500 0.093 19654 6046 1 8 . 1 1 152 152 VAL H H 152 8.103 8.103 8.128 -0.025 19654 6047 1 8 . 1 1 153 153 GLU N N 153 123.580 123.580 118.807 4.773 19654 6048 1 8 . 1 1 153 153 GLU HA H 153 4.162 4.162 4.384 -0.222 19654 6049 1 8 . 1 1 153 153 GLU CA C 153 56.433 56.433 55.519 0.914 19654 6050 1 8 . 1 1 153 153 GLU CB C 153 30.101 30.101 29.451 0.650 19654 6051 1 8 . 1 1 153 153 GLU H H 153 8.446 8.446 8.452 -0.006 19654 6052 1 8 . 1 1 154 154 ASP N N 154 120.964 120.964 121.463 -0.499 19654 6053 1 8 . 1 1 154 154 ASP HA H 154 4.565 4.565 4.609 -0.044 19654 6054 1 8 . 1 1 154 154 ASP CA C 154 54.106 54.106 55.039 -0.933 19654 6055 1 8 . 1 1 154 154 ASP CB C 154 40.836 40.836 41.174 -0.338 19654 6056 1 8 . 1 1 154 154 ASP H H 154 8.325 8.325 7.916 0.409 19654 6057 1 8 . 1 1 155 155 LEU N N 155 122.311 122.311 122.438 -0.127 19654 6058 1 8 . 1 1 155 155 LEU HA H 155 4.230 4.230 4.173 0.057 19654 6059 1 8 . 1 1 155 155 LEU CA C 155 55.340 55.340 56.887 -1.547 19654 6060 1 8 . 1 1 155 155 LEU CB C 155 42.094 42.094 40.868 1.226 19654 6061 1 8 . 1 1 155 155 LEU H H 155 8.210 8.210 8.363 -0.153 19654 6062 1 8 . 1 1 156 156 GLU N N 156 120.023 120.023 120.050 -0.027 19654 6063 1 8 . 1 1 156 156 GLU HA H 156 4.218 4.218 4.224 -0.006 19654 6064 1 8 . 1 1 156 156 GLU CA C 156 56.831 56.831 56.546 0.285 19654 6065 1 8 . 1 1 156 156 GLU CB C 156 29.930 29.930 29.877 0.053 19654 6066 1 8 . 1 1 156 156 GLU H H 156 8.396 8.396 8.466 -0.070 19654 6067 1 8 . 1 1 157 157 GLY N N 157 109.371 109.371 106.942 2.429 19654 6068 1 8 . 1 1 157 157 GLY CA C 157 45.327 45.327 44.443 0.884 19654 6069 1 8 . 1 1 157 157 GLY H H 157 8.323 8.323 8.147 0.176 19654 6070 1 8 . 1 1 158 158 GLY N N 158 108.074 108.074 110.054 -1.980 19654 6071 1 8 . 1 1 158 158 GLY CA C 158 45.061 45.061 44.596 0.465 19654 6072 1 8 . 1 1 158 158 GLY H H 158 8.226 8.226 8.135 0.091 19654 6073 1 8 . 1 1 159 159 HIS N N 159 117.875 117.875 120.559 -2.684 19654 6074 1 8 . 1 1 159 159 HIS HA H 159 4.551 4.551 4.950 -0.399 19654 6075 1 8 . 1 1 159 159 HIS CA C 159 55.600 55.600 54.825 0.775 19654 6076 1 8 . 1 1 159 159 HIS CB C 159 29.800 29.800 33.437 -3.636 19654 6077 1 8 . 1 1 159 159 HIS H H 159 8.210 8.210 8.370 -0.160 19654 6078 1 8 . 1 1 161 161 HIS N N 161 125.094 125.094 118.544 6.550 19654 6079 1 8 . 1 1 161 161 HIS HA H 161 4.585 4.585 4.858 -0.273 19654 6080 1 8 . 1 1 161 161 HIS H H 161 8.162 8.162 7.901 0.261 19654 6081 1 9 . 1 1 2 2 GLU HA H 2 4.333 4.333 4.245 0.088 19654 6082 1 9 . 1 1 2 2 GLU CA C 2 56.183 56.183 56.208 -0.025 19654 6083 1 9 . 1 1 2 2 GLU CB C 2 30.150 30.150 29.992 0.158 19654 6084 1 9 . 1 1 3 3 ASP N N 3 122.553 122.553 122.777 -0.224 19654 6085 1 9 . 1 1 3 3 ASP HA H 3 4.729 4.729 4.801 -0.072 19654 6086 1 9 . 1 1 3 3 ASP CA C 3 53.659 53.659 53.808 -0.149 19654 6087 1 9 . 1 1 3 3 ASP CB C 3 41.319 41.319 42.989 -1.670 19654 6088 1 9 . 1 1 3 3 ASP H H 3 8.437 8.437 8.483 -0.046 19654 6089 1 9 . 1 1 4 4 GLU N N 4 125.121 125.121 124.547 0.574 19654 6090 1 9 . 1 1 4 4 GLU HA H 4 4.235 4.235 4.034 0.201 19654 6091 1 9 . 1 1 4 4 GLU CA C 4 58.915 58.915 59.602 -0.687 19654 6092 1 9 . 1 1 4 4 GLU CB C 4 29.274 29.274 29.105 0.169 19654 6093 1 9 . 1 1 4 4 GLU H H 4 8.726 8.726 9.013 -0.287 19654 6094 1 9 . 1 1 5 5 LEU N N 5 120.976 120.976 119.531 1.445 19654 6095 1 9 . 1 1 5 5 LEU HA H 5 4.517 4.517 4.246 0.271 19654 6096 1 9 . 1 1 5 5 LEU CA C 5 57.939 57.939 57.342 0.597 19654 6097 1 9 . 1 1 5 5 LEU CB C 5 40.917 40.917 41.480 -0.563 19654 6098 1 9 . 1 1 5 5 LEU H H 5 8.381 8.381 8.167 0.214 19654 6099 1 9 . 1 1 6 6 TYR N N 6 123.977 123.977 119.972 4.005 19654 6100 1 9 . 1 1 6 6 TYR HA H 6 3.865 3.865 4.181 -0.316 19654 6101 1 9 . 1 1 6 6 TYR CA C 6 62.721 62.721 62.076 0.645 19654 6102 1 9 . 1 1 6 6 TYR CB C 6 38.475 38.475 38.482 -0.007 19654 6103 1 9 . 1 1 6 6 TYR H H 6 8.342 8.342 7.768 0.574 19654 6104 1 9 . 1 1 7 7 ARG N N 7 118.301 118.301 118.337 -0.036 19654 6105 1 9 . 1 1 7 7 ARG HA H 7 3.828 3.828 3.989 -0.161 19654 6106 1 9 . 1 1 7 7 ARG CA C 7 59.619 59.619 58.857 0.762 19654 6107 1 9 . 1 1 7 7 ARG CB C 7 29.720 29.720 29.186 0.534 19654 6108 1 9 . 1 1 7 7 ARG H H 7 8.452 8.452 8.306 0.146 19654 6109 1 9 . 1 1 8 8 GLN N N 8 119.421 119.421 119.739 -0.318 19654 6110 1 9 . 1 1 8 8 GLN HA H 8 3.944 3.944 4.025 -0.081 19654 6111 1 9 . 1 1 8 8 GLN CA C 8 58.827 58.827 59.209 -0.382 19654 6112 1 9 . 1 1 8 8 GLN CB C 8 28.918 28.918 28.530 0.387 19654 6113 1 9 . 1 1 8 8 GLN H H 8 8.894 8.894 8.002 0.892 19654 6114 1 9 . 1 1 9 9 SER N N 9 113.384 113.384 116.794 -3.410 19654 6115 1 9 . 1 1 9 9 SER HA H 9 4.007 4.007 4.001 0.006 19654 6116 1 9 . 1 1 9 9 SER CA C 9 62.117 62.117 62.278 -0.161 19654 6117 1 9 . 1 1 9 9 SER CB C 9 63.544 63.544 63.105 0.439 19654 6118 1 9 . 1 1 9 9 SER H H 9 8.018 8.018 8.308 -0.290 19654 6119 1 9 . 1 1 10 10 LEU N N 10 121.112 121.112 123.487 -2.375 19654 6120 1 9 . 1 1 10 10 LEU HA H 10 4.130 4.130 4.146 -0.016 19654 6121 1 9 . 1 1 10 10 LEU CA C 10 57.022 57.022 57.542 -0.520 19654 6122 1 9 . 1 1 10 10 LEU CB C 10 41.146 41.146 41.684 -0.538 19654 6123 1 9 . 1 1 10 10 LEU H H 10 8.599 8.599 8.182 0.417 19654 6124 1 9 . 1 1 11 11 GLU N N 11 120.653 120.653 119.974 0.679 19654 6125 1 9 . 1 1 11 11 GLU HA H 11 3.914 3.914 3.993 -0.079 19654 6126 1 9 . 1 1 11 11 GLU CA C 11 59.627 59.627 59.334 0.293 19654 6127 1 9 . 1 1 11 11 GLU CB C 11 29.298 29.298 29.280 0.018 19654 6128 1 9 . 1 1 11 11 GLU H H 11 7.806 7.806 7.968 -0.162 19654 6129 1 9 . 1 1 12 12 ILE N N 12 117.297 117.297 119.886 -2.589 19654 6130 1 9 . 1 1 12 12 ILE HA H 12 3.121 3.121 3.565 -0.444 19654 6131 1 9 . 1 1 12 12 ILE CA C 12 65.774 65.774 65.690 0.084 19654 6132 1 9 . 1 1 12 12 ILE CB C 12 39.143 39.143 37.695 1.448 19654 6133 1 9 . 1 1 12 12 ILE H H 12 7.401 7.401 8.096 -0.695 19654 6134 1 9 . 1 1 13 13 ILE N N 13 117.560 117.560 119.137 -1.577 19654 6135 1 9 . 1 1 13 13 ILE HA H 13 3.302 3.302 3.456 -0.154 19654 6136 1 9 . 1 1 13 13 ILE CA C 13 66.420 66.420 65.903 0.517 19654 6137 1 9 . 1 1 13 13 ILE CB C 13 37.714 37.714 37.550 0.164 19654 6138 1 9 . 1 1 13 13 ILE H H 13 8.378 8.378 8.200 0.178 19654 6139 1 9 . 1 1 14 14 SER N N 14 113.892 113.892 115.700 -1.808 19654 6140 1 9 . 1 1 14 14 SER HA H 14 3.889 3.889 3.962 -0.073 19654 6141 1 9 . 1 1 14 14 SER CA C 14 62.310 62.310 61.764 0.546 19654 6142 1 9 . 1 1 14 14 SER CB C 14 62.282 62.282 62.983 -0.701 19654 6143 1 9 . 1 1 14 14 SER H H 14 9.048 9.048 8.328 0.720 19654 6144 1 9 . 1 1 15 15 ARG N N 15 118.890 118.890 121.002 -2.112 19654 6145 1 9 . 1 1 15 15 ARG HA H 15 4.033 4.033 3.895 0.138 19654 6146 1 9 . 1 1 15 15 ARG CA C 15 59.496 59.496 59.821 -0.325 19654 6147 1 9 . 1 1 15 15 ARG CB C 15 29.727 29.727 30.147 -0.420 19654 6148 1 9 . 1 1 15 15 ARG H H 15 7.655 7.655 7.830 -0.175 19654 6149 1 9 . 1 1 16 16 TYR N N 16 119.757 119.757 120.936 -1.179 19654 6150 1 9 . 1 1 16 16 TYR HA H 16 4.146 4.146 4.121 0.025 19654 6151 1 9 . 1 1 16 16 TYR CA C 16 61.265 61.265 61.835 -0.570 19654 6152 1 9 . 1 1 16 16 TYR CB C 16 38.495 38.495 38.272 0.223 19654 6153 1 9 . 1 1 16 16 TYR H H 16 8.351 8.351 8.195 0.156 19654 6154 1 9 . 1 1 17 17 LEU N N 17 118.494 118.494 119.404 -0.910 19654 6155 1 9 . 1 1 17 17 LEU HA H 17 3.375 3.375 3.819 -0.444 19654 6156 1 9 . 1 1 17 17 LEU CA C 17 59.627 59.627 58.618 1.009 19654 6157 1 9 . 1 1 17 17 LEU CB C 17 39.949 39.949 41.128 -1.179 19654 6158 1 9 . 1 1 17 17 LEU H H 17 8.578 8.578 8.674 -0.096 19654 6159 1 9 . 1 1 18 18 ARG N N 18 115.962 115.962 118.981 -3.019 19654 6160 1 9 . 1 1 18 18 ARG HA H 18 3.858 3.858 3.923 -0.065 19654 6161 1 9 . 1 1 18 18 ARG CA C 18 60.233 60.233 58.652 1.581 19654 6162 1 9 . 1 1 18 18 ARG CB C 18 29.993 29.993 29.422 0.571 19654 6163 1 9 . 1 1 18 18 ARG H H 18 8.044 8.044 8.191 -0.147 19654 6164 1 9 . 1 1 19 19 GLU N N 19 120.998 120.998 119.529 1.469 19654 6165 1 9 . 1 1 19 19 GLU HA H 19 4.153 4.153 4.018 0.135 19654 6166 1 9 . 1 1 19 19 GLU CA C 19 58.857 58.857 59.300 -0.443 19654 6167 1 9 . 1 1 19 19 GLU CB C 19 29.661 29.661 29.191 0.470 19654 6168 1 9 . 1 1 19 19 GLU H H 19 8.268 8.268 8.651 -0.383 19654 6169 1 9 . 1 1 20 20 GLN N N 20 119.903 119.903 117.977 1.926 19654 6170 1 9 . 1 1 20 20 GLN HA H 20 3.715 3.715 3.969 -0.254 19654 6171 1 9 . 1 1 20 20 GLN CA C 20 58.008 58.008 57.970 0.038 19654 6172 1 9 . 1 1 20 20 GLN CB C 20 28.666 28.666 28.102 0.563 19654 6173 1 9 . 1 1 20 20 GLN H H 20 8.193 8.193 7.953 0.240 19654 6174 1 9 . 1 1 21 21 ALA N N 21 117.771 117.771 119.949 -2.178 19654 6175 1 9 . 1 1 21 21 ALA HA H 21 3.985 3.985 4.089 -0.104 19654 6176 1 9 . 1 1 21 21 ALA CA C 21 54.397 54.397 54.443 -0.046 19654 6177 1 9 . 1 1 21 21 ALA CB C 21 20.022 20.022 18.808 1.214 19654 6178 1 9 . 1 1 21 21 ALA H H 21 7.883 7.883 8.083 -0.200 19654 6179 1 9 . 1 1 22 22 THR N N 22 103.721 103.721 109.671 -5.950 19654 6180 1 9 . 1 1 22 22 THR HA H 22 4.279 4.279 4.231 0.048 19654 6181 1 9 . 1 1 22 22 THR CA C 22 62.357 62.357 62.755 -0.398 19654 6182 1 9 . 1 1 22 22 THR CB C 22 71.071 71.071 70.503 0.568 19654 6183 1 9 . 1 1 22 22 THR H H 22 8.024 8.024 8.024 0.000 19654 6184 1 9 . 1 1 23 23 GLY N N 23 111.610 111.610 110.825 0.785 19654 6185 1 9 . 1 1 23 23 GLY CA C 23 45.574 45.574 45.376 0.198 19654 6186 1 9 . 1 1 23 23 GLY H H 23 8.155 8.155 7.901 0.254 19654 6187 1 9 . 1 1 24 24 ALA N N 24 123.004 123.004 120.572 2.432 19654 6188 1 9 . 1 1 24 24 ALA HA H 24 4.526 4.526 4.604 -0.078 19654 6189 1 9 . 1 1 24 24 ALA CA C 24 50.763 50.763 51.314 -0.551 19654 6190 1 9 . 1 1 24 24 ALA CB C 24 20.186 20.186 21.374 -1.188 19654 6191 1 9 . 1 1 24 24 ALA H H 24 7.763 7.763 7.635 0.128 19654 6192 1 9 . 1 1 25 25 LYS N N 25 121.392 121.392 119.945 1.447 19654 6193 1 9 . 1 1 25 25 LYS HA H 25 4.181 4.181 4.773 -0.592 19654 6194 1 9 . 1 1 25 25 LYS CA C 25 55.729 55.729 54.929 0.800 19654 6195 1 9 . 1 1 25 25 LYS CB C 25 33.175 33.175 33.427 -0.252 19654 6196 1 9 . 1 1 25 25 LYS H H 25 8.349 8.349 8.191 0.158 19654 6197 1 9 . 1 1 26 26 ASP N N 26 124.433 124.433 121.905 2.528 19654 6198 1 9 . 1 1 26 26 ASP HA H 26 4.618 4.618 4.753 -0.135 19654 6199 1 9 . 1 1 26 26 ASP CA C 26 53.735 53.735 53.430 0.305 19654 6200 1 9 . 1 1 26 26 ASP CB C 26 41.402 41.402 42.313 -0.911 19654 6201 1 9 . 1 1 26 26 ASP H H 26 8.803 8.803 8.448 0.355 19654 6202 1 9 . 1 1 27 27 THR N N 27 116.332 116.332 114.559 1.773 19654 6203 1 9 . 1 1 27 27 THR HA H 27 4.249 4.249 4.458 -0.209 19654 6204 1 9 . 1 1 27 27 THR CA C 27 61.268 61.268 60.721 0.547 19654 6205 1 9 . 1 1 27 27 THR CB C 27 68.993 68.993 68.964 0.029 19654 6206 1 9 . 1 1 27 27 THR H H 27 8.363 8.363 8.224 0.139 19654 6207 1 9 . 1 1 28 28 LYS N N 28 125.551 125.551 123.898 1.653 19654 6208 1 9 . 1 1 28 28 LYS HA H 28 4.437 4.437 4.513 -0.076 19654 6209 1 9 . 1 1 28 28 LYS CA C 28 55.188 55.188 54.716 0.472 19654 6210 1 9 . 1 1 28 28 LYS CB C 28 31.409 31.409 32.607 -1.198 19654 6211 1 9 . 1 1 28 28 LYS H H 28 8.346 8.346 8.335 0.011 19654 6212 1 9 . 1 1 29 29 PRO HA H 29 4.392 4.392 4.301 0.091 19654 6213 1 9 . 1 1 29 29 PRO CA C 29 63.164 63.164 63.402 -0.238 19654 6214 1 9 . 1 1 29 29 PRO CB C 29 31.904 31.904 32.129 -0.225 19654 6215 1 9 . 1 1 30 30 MET N N 30 121.136 121.136 123.941 -2.805 19654 6216 1 9 . 1 1 30 30 MET HA H 30 4.381 4.381 4.486 -0.105 19654 6217 1 9 . 1 1 30 30 MET CA C 30 55.229 55.229 54.765 0.464 19654 6218 1 9 . 1 1 30 30 MET CB C 30 33.819 33.819 33.528 0.291 19654 6219 1 9 . 1 1 30 30 MET H H 30 8.585 8.585 8.083 0.502 19654 6220 1 9 . 1 1 31 31 GLY N N 31 109.849 109.849 106.482 3.367 19654 6221 1 9 . 1 1 31 31 GLY CA C 31 44.983 44.983 44.200 0.783 19654 6222 1 9 . 1 1 31 31 GLY H H 31 8.930 8.930 8.377 0.553 19654 6223 1 9 . 1 1 32 32 ARG N N 32 121.001 121.001 118.282 2.719 19654 6224 1 9 . 1 1 32 32 ARG HA H 32 4.239 4.239 3.997 0.242 19654 6225 1 9 . 1 1 32 32 ARG CA C 32 56.755 56.755 58.137 -1.382 19654 6226 1 9 . 1 1 32 32 ARG CB C 32 30.110 30.110 29.968 0.142 19654 6227 1 9 . 1 1 32 32 ARG H H 32 8.447 8.447 8.632 -0.185 19654 6228 1 9 . 1 1 33 33 SER N N 33 119.991 119.991 117.922 2.069 19654 6229 1 9 . 1 1 33 33 SER HA H 33 4.386 4.386 4.577 -0.191 19654 6230 1 9 . 1 1 33 33 SER CA C 33 58.502 58.502 57.627 0.875 19654 6231 1 9 . 1 1 33 33 SER CB C 33 62.609 62.609 63.111 -0.502 19654 6232 1 9 . 1 1 33 33 SER H H 33 8.667 8.667 8.170 0.497 19654 6233 1 9 . 1 1 34 34 GLY N N 34 108.582 108.582 113.476 -4.894 19654 6234 1 9 . 1 1 34 34 GLY CA C 34 46.637 46.637 47.285 -0.647 19654 6235 1 9 . 1 1 34 34 GLY H H 34 8.216 8.216 8.205 0.011 19654 6236 1 9 . 1 1 35 35 ALA N N 35 123.445 123.445 124.274 -0.829 19654 6237 1 9 . 1 1 35 35 ALA HA H 35 4.193 4.193 3.973 0.220 19654 6238 1 9 . 1 1 35 35 ALA CA C 35 54.770 54.770 55.195 -0.425 19654 6239 1 9 . 1 1 35 35 ALA CB C 35 18.437 18.437 18.002 0.435 19654 6240 1 9 . 1 1 35 35 ALA H H 35 8.506 8.506 8.606 -0.100 19654 6241 1 9 . 1 1 36 36 THR N N 36 115.716 115.716 115.746 -0.030 19654 6242 1 9 . 1 1 36 36 THR HA H 36 3.919 3.919 3.951 -0.032 19654 6243 1 9 . 1 1 36 36 THR CA C 36 67.249 67.249 66.292 0.957 19654 6244 1 9 . 1 1 36 36 THR CB C 36 68.225 68.225 68.494 -0.269 19654 6245 1 9 . 1 1 36 36 THR H H 36 8.262 8.262 8.165 0.097 19654 6246 1 9 . 1 1 37 37 SER N N 37 117.911 117.911 117.587 0.324 19654 6247 1 9 . 1 1 37 37 SER HA H 37 3.869 3.869 4.032 -0.163 19654 6248 1 9 . 1 1 37 37 SER CA C 37 62.333 62.333 62.180 0.153 19654 6249 1 9 . 1 1 37 37 SER CB C 37 62.333 62.333 62.930 -0.597 19654 6250 1 9 . 1 1 37 37 SER H H 37 8.389 8.389 8.142 0.247 19654 6251 1 9 . 1 1 38 38 ARG N N 38 120.924 120.924 122.440 -1.516 19654 6252 1 9 . 1 1 38 38 ARG HA H 38 3.901 3.901 4.051 -0.150 19654 6253 1 9 . 1 1 38 38 ARG CA C 38 59.923 59.923 58.503 1.420 19654 6254 1 9 . 1 1 38 38 ARG CB C 38 29.759 29.759 29.650 0.109 19654 6255 1 9 . 1 1 38 38 ARG H H 38 8.278 8.278 7.897 0.381 19654 6256 1 9 . 1 1 39 39 LYS N N 39 119.172 119.172 119.954 -0.782 19654 6257 1 9 . 1 1 39 39 LYS HA H 39 4.151 4.151 4.263 -0.112 19654 6258 1 9 . 1 1 39 39 LYS CA C 39 59.086 59.086 59.550 -0.464 19654 6259 1 9 . 1 1 39 39 LYS CB C 39 32.807 32.807 32.345 0.462 19654 6260 1 9 . 1 1 39 39 LYS H H 39 7.930 7.930 8.319 -0.389 19654 6261 1 9 . 1 1 40 40 ALA N N 40 125.586 125.586 123.046 2.540 19654 6262 1 9 . 1 1 40 40 ALA HA H 40 4.175 4.175 4.283 -0.108 19654 6263 1 9 . 1 1 40 40 ALA CA C 40 55.633 55.633 55.126 0.507 19654 6264 1 9 . 1 1 40 40 ALA CB C 40 18.675 18.675 18.595 0.080 19654 6265 1 9 . 1 1 40 40 ALA H H 40 9.192 9.192 8.428 0.764 19654 6266 1 9 . 1 1 41 41 LEU N N 41 120.080 120.080 119.595 0.485 19654 6267 1 9 . 1 1 41 41 LEU HA H 41 3.930 3.930 3.963 -0.033 19654 6268 1 9 . 1 1 41 41 LEU CA C 41 58.169 58.169 57.980 0.189 19654 6269 1 9 . 1 1 41 41 LEU CB C 41 41.683 41.683 41.873 -0.191 19654 6270 1 9 . 1 1 41 41 LEU H H 41 8.209 8.209 7.989 0.220 19654 6271 1 9 . 1 1 42 42 GLU N N 42 117.875 117.875 117.543 0.332 19654 6272 1 9 . 1 1 42 42 GLU HA H 42 3.977 3.977 4.113 -0.136 19654 6273 1 9 . 1 1 42 42 GLU CA C 42 59.335 59.335 59.169 0.166 19654 6274 1 9 . 1 1 42 42 GLU CB C 42 29.176 29.176 29.103 0.073 19654 6275 1 9 . 1 1 42 42 GLU H H 42 8.197 8.197 8.375 -0.178 19654 6276 1 9 . 1 1 43 43 THR N N 43 116.912 116.912 117.926 -1.014 19654 6277 1 9 . 1 1 43 43 THR HA H 43 3.793 3.793 3.969 -0.176 19654 6278 1 9 . 1 1 43 43 THR CA C 43 67.517 67.517 67.224 0.293 19654 6279 1 9 . 1 1 43 43 THR CB C 43 68.089 68.089 68.317 -0.228 19654 6280 1 9 . 1 1 43 43 THR H H 43 8.183 8.183 8.222 -0.039 19654 6281 1 9 . 1 1 44 44 LEU N N 44 123.099 123.099 120.066 3.033 19654 6282 1 9 . 1 1 44 44 LEU HA H 44 3.699 3.699 3.998 -0.299 19654 6283 1 9 . 1 1 44 44 LEU CA C 44 58.261 58.261 58.266 -0.005 19654 6284 1 9 . 1 1 44 44 LEU CB C 44 40.988 40.988 41.116 -0.128 19654 6285 1 9 . 1 1 44 44 LEU H H 44 8.509 8.509 8.690 -0.181 19654 6286 1 9 . 1 1 45 45 ARG N N 45 116.885 116.885 118.765 -1.880 19654 6287 1 9 . 1 1 45 45 ARG HA H 45 4.125 4.125 4.351 -0.226 19654 6288 1 9 . 1 1 45 45 ARG CA C 45 59.617 59.617 59.008 0.609 19654 6289 1 9 . 1 1 45 45 ARG CB C 45 30.423 30.423 29.979 0.444 19654 6290 1 9 . 1 1 45 45 ARG H H 45 8.398 8.398 7.504 0.894 19654 6291 1 9 . 1 1 46 46 ARG N N 46 117.297 117.297 120.915 -3.618 19654 6292 1 9 . 1 1 46 46 ARG HA H 46 4.229 4.229 4.022 0.207 19654 6293 1 9 . 1 1 46 46 ARG CA C 46 58.427 58.427 59.024 -0.597 19654 6294 1 9 . 1 1 46 46 ARG CB C 46 30.408 30.408 30.038 0.370 19654 6295 1 9 . 1 1 46 46 ARG H H 46 7.421 7.421 8.239 -0.818 19654 6296 1 9 . 1 1 47 47 VAL N N 47 114.304 114.304 111.210 3.094 19654 6297 1 9 . 1 1 47 47 VAL HA H 47 4.094 4.094 4.334 -0.240 19654 6298 1 9 . 1 1 47 47 VAL CA C 47 63.242 63.242 63.703 -0.460 19654 6299 1 9 . 1 1 47 47 VAL CB C 47 32.378 32.378 32.351 0.027 19654 6300 1 9 . 1 1 47 47 VAL H H 47 8.515 8.515 7.828 0.687 19654 6301 1 9 . 1 1 48 48 GLY N N 48 110.132 110.132 109.601 0.531 19654 6302 1 9 . 1 1 48 48 GLY CA C 48 46.588 46.588 47.665 -1.077 19654 6303 1 9 . 1 1 48 48 GLY H H 48 8.890 8.890 8.198 0.692 19654 6304 1 9 . 1 1 49 49 ASP N N 49 121.292 121.292 122.686 -1.394 19654 6305 1 9 . 1 1 49 49 ASP HA H 49 4.456 4.456 4.416 0.040 19654 6306 1 9 . 1 1 49 49 ASP CA C 49 57.787 57.787 57.884 -0.097 19654 6307 1 9 . 1 1 49 49 ASP CB C 49 40.912 40.912 40.705 0.207 19654 6308 1 9 . 1 1 49 49 ASP H H 49 7.392 7.392 7.938 -0.546 19654 6309 1 9 . 1 1 50 50 GLY N N 50 106.682 106.682 108.225 -1.543 19654 6310 1 9 . 1 1 50 50 GLY CA C 50 46.932 46.932 47.387 -0.455 19654 6311 1 9 . 1 1 50 50 GLY H H 50 8.132 8.132 8.303 -0.171 19654 6312 1 9 . 1 1 51 51 VAL N N 51 121.747 121.747 123.045 -1.298 19654 6313 1 9 . 1 1 51 51 VAL HA H 51 3.944 3.944 3.649 0.295 19654 6314 1 9 . 1 1 51 51 VAL CA C 51 66.355 66.355 66.552 -0.197 19654 6315 1 9 . 1 1 51 51 VAL CB C 51 31.594 31.594 31.484 0.110 19654 6316 1 9 . 1 1 51 51 VAL H H 51 7.476 7.476 8.261 -0.785 19654 6317 1 9 . 1 1 52 52 GLN N N 52 118.494 118.494 118.755 -0.261 19654 6318 1 9 . 1 1 52 52 GLN HA H 52 3.913 3.913 4.110 -0.197 19654 6319 1 9 . 1 1 52 52 GLN CA C 52 60.391 60.391 59.661 0.730 19654 6320 1 9 . 1 1 52 52 GLN CB C 52 29.682 29.682 28.768 0.914 19654 6321 1 9 . 1 1 52 52 GLN H H 52 8.439 8.439 8.388 0.051 19654 6322 1 9 . 1 1 53 53 ARG N N 53 116.807 116.807 118.632 -1.825 19654 6323 1 9 . 1 1 53 53 ARG HA H 53 4.163 4.163 4.071 0.092 19654 6324 1 9 . 1 1 53 53 ARG CA C 53 59.086 59.086 59.553 -0.467 19654 6325 1 9 . 1 1 53 53 ARG CB C 53 30.009 30.009 30.305 -0.296 19654 6326 1 9 . 1 1 53 53 ARG H H 53 7.873 7.873 8.375 -0.502 19654 6327 1 9 . 1 1 54 54 ASN N N 54 116.356 116.356 114.611 1.745 19654 6328 1 9 . 1 1 54 54 ASN HA H 54 4.448 4.448 4.648 -0.200 19654 6329 1 9 . 1 1 54 54 ASN CA C 54 54.694 54.694 55.118 -0.424 19654 6330 1 9 . 1 1 54 54 ASN CB C 54 38.302 38.302 38.584 -0.282 19654 6331 1 9 . 1 1 54 54 ASN H H 54 8.123 8.123 8.036 0.087 19654 6332 1 9 . 1 1 55 55 HIS N N 55 114.809 114.809 117.899 -3.090 19654 6333 1 9 . 1 1 55 55 HIS HA H 55 4.504 4.504 4.407 0.097 19654 6334 1 9 . 1 1 55 55 HIS CA C 55 55.949 55.949 58.053 -2.104 19654 6335 1 9 . 1 1 55 55 HIS CB C 55 28.341 28.341 30.406 -2.065 19654 6336 1 9 . 1 1 55 55 HIS H H 55 7.558 7.558 8.572 -1.014 19654 6337 1 9 . 1 1 56 56 GLU N N 56 121.943 121.943 121.221 0.722 19654 6338 1 9 . 1 1 56 56 GLU HA H 56 3.640 3.640 4.055 -0.415 19654 6339 1 9 . 1 1 56 56 GLU CA C 56 61.360 61.360 60.391 0.969 19654 6340 1 9 . 1 1 56 56 GLU CB C 56 30.006 30.006 29.450 0.556 19654 6341 1 9 . 1 1 56 56 GLU H H 56 7.071 7.071 8.575 -1.504 19654 6342 1 9 . 1 1 57 57 THR N N 57 112.827 112.827 113.398 -0.571 19654 6343 1 9 . 1 1 57 57 THR HA H 57 3.984 3.984 4.110 -0.126 19654 6344 1 9 . 1 1 57 57 THR CA C 57 66.247 66.247 65.537 0.710 19654 6345 1 9 . 1 1 57 57 THR CB C 57 68.002 68.002 68.589 -0.587 19654 6346 1 9 . 1 1 57 57 THR H H 57 8.324 8.324 8.459 -0.135 19654 6347 1 9 . 1 1 58 58 ALA N N 58 126.520 126.520 123.909 2.611 19654 6348 1 9 . 1 1 58 58 ALA HA H 58 4.147 4.147 4.110 0.037 19654 6349 1 9 . 1 1 58 58 ALA CA C 58 54.707 54.707 54.512 0.195 19654 6350 1 9 . 1 1 58 58 ALA CB C 58 17.734 17.734 18.018 -0.284 19654 6351 1 9 . 1 1 58 58 ALA H H 58 7.910 7.910 7.539 0.371 19654 6352 1 9 . 1 1 59 59 PHE N N 59 119.326 119.326 118.633 0.693 19654 6353 1 9 . 1 1 59 59 PHE HA H 59 4.518 4.518 4.002 0.516 19654 6354 1 9 . 1 1 59 59 PHE CA C 59 56.946 56.946 60.461 -3.515 19654 6355 1 9 . 1 1 59 59 PHE CB C 59 34.583 34.583 37.672 -3.089 19654 6356 1 9 . 1 1 59 59 PHE H H 59 9.017 9.017 8.243 0.774 19654 6357 1 9 . 1 1 60 60 GLN N N 60 119.670 119.670 117.795 1.875 19654 6358 1 9 . 1 1 60 60 GLN HA H 60 4.232 4.232 4.191 0.041 19654 6359 1 9 . 1 1 60 60 GLN CA C 60 59.359 59.359 59.240 0.119 19654 6360 1 9 . 1 1 60 60 GLN CB C 60 28.009 28.009 27.951 0.058 19654 6361 1 9 . 1 1 60 60 GLN H H 60 8.678 8.678 8.843 -0.165 19654 6362 1 9 . 1 1 61 61 GLY N N 61 106.140 106.140 106.556 -0.416 19654 6363 1 9 . 1 1 61 61 GLY CA C 61 47.085 47.085 47.017 0.068 19654 6364 1 9 . 1 1 61 61 GLY H H 61 7.975 7.975 7.817 0.158 19654 6365 1 9 . 1 1 62 62 MET N N 62 120.973 120.973 120.258 0.715 19654 6366 1 9 . 1 1 62 62 MET HA H 62 4.080 4.080 4.213 -0.133 19654 6367 1 9 . 1 1 62 62 MET CA C 62 58.752 58.752 58.095 0.657 19654 6368 1 9 . 1 1 62 62 MET CB C 62 33.824 33.824 32.610 1.214 19654 6369 1 9 . 1 1 62 62 MET H H 62 8.007 8.007 7.594 0.413 19654 6370 1 9 . 1 1 63 63 LEU N N 63 119.043 119.043 120.332 -1.289 19654 6371 1 9 . 1 1 63 63 LEU HA H 63 4.139 4.139 4.042 0.097 19654 6372 1 9 . 1 1 63 63 LEU CA C 63 57.645 57.645 58.248 -0.603 19654 6373 1 9 . 1 1 63 63 LEU CB C 63 42.173 42.173 41.072 1.101 19654 6374 1 9 . 1 1 63 63 LEU H H 63 8.394 8.394 8.533 -0.139 19654 6375 1 9 . 1 1 64 64 ARG N N 64 117.294 117.294 117.837 -0.543 19654 6376 1 9 . 1 1 64 64 ARG HA H 64 4.090 4.090 4.098 -0.008 19654 6377 1 9 . 1 1 64 64 ARG CA C 64 58.551 58.551 58.549 0.002 19654 6378 1 9 . 1 1 64 64 ARG CB C 64 29.772 29.772 30.068 -0.296 19654 6379 1 9 . 1 1 64 64 ARG H H 64 7.912 7.912 8.129 -0.217 19654 6380 1 9 . 1 1 65 65 LYS N N 65 116.840 116.840 117.396 -0.556 19654 6381 1 9 . 1 1 65 65 LYS HA H 65 4.165 4.165 4.330 -0.165 19654 6382 1 9 . 1 1 65 65 LYS CA C 65 57.175 57.175 57.025 0.150 19654 6383 1 9 . 1 1 65 65 LYS CB C 65 32.299 32.299 33.157 -0.858 19654 6384 1 9 . 1 1 65 65 LYS H H 65 7.506 7.506 7.697 -0.191 19654 6385 1 9 . 1 1 66 66 LEU N N 66 119.257 119.257 119.442 -0.185 19654 6386 1 9 . 1 1 66 66 LEU HA H 66 4.232 4.232 4.391 -0.159 19654 6387 1 9 . 1 1 66 66 LEU CA C 66 55.442 55.442 55.904 -0.462 19654 6388 1 9 . 1 1 66 66 LEU CB C 66 43.042 43.042 42.709 0.333 19654 6389 1 9 . 1 1 66 66 LEU H H 66 7.736 7.736 7.742 -0.006 19654 6390 1 9 . 1 1 67 67 ASP N N 67 119.743 119.743 119.400 0.343 19654 6391 1 9 . 1 1 67 67 ASP HA H 67 4.457 4.457 4.356 0.101 19654 6392 1 9 . 1 1 67 67 ASP CA C 67 53.850 53.850 54.844 -0.994 19654 6393 1 9 . 1 1 67 67 ASP CB C 67 40.195 40.195 40.504 -0.309 19654 6394 1 9 . 1 1 67 67 ASP H H 67 8.068 8.068 8.107 -0.039 19654 6395 1 9 . 1 1 68 68 ILE N N 68 120.055 120.055 123.173 -3.118 19654 6396 1 9 . 1 1 68 68 ILE HA H 68 3.870 3.870 4.084 -0.214 19654 6397 1 9 . 1 1 68 68 ILE CA C 68 61.524 61.524 61.154 0.370 19654 6398 1 9 . 1 1 68 68 ILE CB C 68 37.986 37.986 37.809 0.177 19654 6399 1 9 . 1 1 68 68 ILE H H 68 8.275 8.275 8.773 -0.498 19654 6400 1 9 . 1 1 69 69 LYS N N 69 126.186 126.186 127.712 -1.526 19654 6401 1 9 . 1 1 69 69 LYS HA H 69 4.481 4.481 4.479 0.002 19654 6402 1 9 . 1 1 69 69 LYS CA C 69 56.304 56.304 55.680 0.624 19654 6403 1 9 . 1 1 69 69 LYS CB C 69 34.136 34.136 33.234 0.902 19654 6404 1 9 . 1 1 69 69 LYS H H 69 9.722 9.722 9.165 0.557 19654 6405 1 9 . 1 1 70 70 ASN N N 70 115.056 115.056 115.825 -0.769 19654 6406 1 9 . 1 1 70 70 ASN HA H 70 4.700 4.700 4.777 -0.077 19654 6407 1 9 . 1 1 70 70 ASN CA C 70 51.977 51.977 52.203 -0.226 19654 6408 1 9 . 1 1 70 70 ASN CB C 70 39.474 39.474 39.667 -0.193 19654 6409 1 9 . 1 1 70 70 ASN H H 70 7.959 7.959 8.345 -0.386 19654 6410 1 9 . 1 1 71 71 GLU N N 71 118.214 118.214 119.526 -1.312 19654 6411 1 9 . 1 1 71 71 GLU HA H 71 3.967 3.967 3.892 0.075 19654 6412 1 9 . 1 1 71 71 GLU CA C 71 59.354 59.354 60.066 -0.712 19654 6413 1 9 . 1 1 71 71 GLU CB C 71 29.520 29.520 29.628 -0.108 19654 6414 1 9 . 1 1 71 71 GLU H H 71 8.831 8.831 8.894 -0.063 19654 6415 1 9 . 1 1 72 72 ASP N N 72 120.319 120.319 118.375 1.944 19654 6416 1 9 . 1 1 72 72 ASP HA H 72 4.422 4.422 4.334 0.088 19654 6417 1 9 . 1 1 72 72 ASP CA C 72 57.036 57.036 57.458 -0.422 19654 6418 1 9 . 1 1 72 72 ASP CB C 72 39.945 39.945 40.637 -0.692 19654 6419 1 9 . 1 1 72 72 ASP H H 72 8.167 8.167 8.038 0.129 19654 6420 1 9 . 1 1 73 73 ASP N N 73 119.793 119.793 119.269 0.524 19654 6421 1 9 . 1 1 73 73 ASP HA H 73 4.521 4.521 4.423 0.098 19654 6422 1 9 . 1 1 73 73 ASP CA C 73 56.337 56.337 57.441 -1.104 19654 6423 1 9 . 1 1 73 73 ASP CB C 73 41.927 41.927 40.679 1.248 19654 6424 1 9 . 1 1 73 73 ASP H H 73 8.153 8.153 7.810 0.343 19654 6425 1 9 . 1 1 74 74 VAL N N 74 117.572 117.572 120.251 -2.679 19654 6426 1 9 . 1 1 74 74 VAL HA H 74 3.714 3.714 3.647 0.067 19654 6427 1 9 . 1 1 74 74 VAL CA C 74 65.498 65.498 66.439 -0.941 19654 6428 1 9 . 1 1 74 74 VAL CB C 74 31.077 31.077 31.570 -0.493 19654 6429 1 9 . 1 1 74 74 VAL H H 74 7.629 7.629 7.389 0.240 19654 6430 1 9 . 1 1 75 75 LYS N N 75 119.403 119.403 118.329 1.074 19654 6431 1 9 . 1 1 75 75 LYS HA H 75 4.154 4.154 4.145 0.009 19654 6432 1 9 . 1 1 75 75 LYS CA C 75 59.034 59.034 59.008 0.027 19654 6433 1 9 . 1 1 75 75 LYS CB C 75 31.909 31.909 32.440 -0.531 19654 6434 1 9 . 1 1 75 75 LYS H H 75 7.961 7.961 7.971 -0.010 19654 6435 1 9 . 1 1 76 76 SER N N 76 114.355 114.355 116.519 -2.164 19654 6436 1 9 . 1 1 76 76 SER HA H 76 4.453 4.453 4.276 0.177 19654 6437 1 9 . 1 1 76 76 SER CA C 76 60.061 60.061 62.136 -2.075 19654 6438 1 9 . 1 1 76 76 SER CB C 76 63.023 63.023 63.030 -0.007 19654 6439 1 9 . 1 1 76 76 SER H H 76 7.919 7.919 8.170 -0.251 19654 6440 1 9 . 1 1 77 77 LEU N N 77 121.954 121.954 121.357 0.597 19654 6441 1 9 . 1 1 77 77 LEU HA H 77 4.230 4.230 4.056 0.174 19654 6442 1 9 . 1 1 77 77 LEU CA C 77 56.764 56.764 57.625 -0.861 19654 6443 1 9 . 1 1 77 77 LEU CB C 77 41.695 41.695 41.138 0.557 19654 6444 1 9 . 1 1 77 77 LEU H H 77 7.883 7.883 8.265 -0.382 19654 6445 1 9 . 1 1 78 78 SER N N 78 115.268 115.268 114.965 0.303 19654 6446 1 9 . 1 1 78 78 SER HA H 78 3.962 3.962 4.118 -0.156 19654 6447 1 9 . 1 1 78 78 SER CA C 78 62.337 62.337 61.600 0.737 19654 6448 1 9 . 1 1 78 78 SER CB C 78 62.218 62.218 62.766 -0.548 19654 6449 1 9 . 1 1 78 78 SER H H 78 8.185 8.185 7.824 0.361 19654 6450 1 9 . 1 1 79 79 ARG N N 79 119.021 119.021 121.403 -2.382 19654 6451 1 9 . 1 1 79 79 ARG HA H 79 4.090 4.090 4.070 0.020 19654 6452 1 9 . 1 1 79 79 ARG CA C 79 58.849 58.849 58.310 0.538 19654 6453 1 9 . 1 1 79 79 ARG CB C 79 29.930 29.930 29.266 0.664 19654 6454 1 9 . 1 1 79 79 ARG H H 79 7.684 7.684 7.941 -0.257 19654 6455 1 9 . 1 1 80 80 VAL N N 80 116.979 116.979 121.101 -4.122 19654 6456 1 9 . 1 1 80 80 VAL HA H 80 3.953 3.953 3.884 0.069 19654 6457 1 9 . 1 1 80 80 VAL CA C 80 64.228 64.228 66.299 -2.071 19654 6458 1 9 . 1 1 80 80 VAL CB C 80 32.210 32.210 31.733 0.477 19654 6459 1 9 . 1 1 80 80 VAL H H 80 7.479 7.479 7.465 0.014 19654 6460 1 9 . 1 1 81 81 MET N N 81 117.822 117.822 118.031 -0.209 19654 6461 1 9 . 1 1 81 81 MET HA H 81 4.053 4.053 4.199 -0.146 19654 6462 1 9 . 1 1 81 81 MET CA C 81 58.322 58.322 57.427 0.895 19654 6463 1 9 . 1 1 81 81 MET CB C 81 32.555 32.555 31.488 1.067 19654 6464 1 9 . 1 1 81 81 MET H H 81 8.104 8.104 8.189 -0.085 19654 6465 1 9 . 1 1 82 82 ILE N N 82 116.348 116.348 118.943 -2.595 19654 6466 1 9 . 1 1 82 82 ILE HA H 82 3.815 3.815 3.739 0.076 19654 6467 1 9 . 1 1 82 82 ILE CA C 82 63.653 63.653 64.863 -1.210 19654 6468 1 9 . 1 1 82 82 ILE CB C 82 37.879 37.879 37.460 0.419 19654 6469 1 9 . 1 1 82 82 ILE H H 82 7.789 7.789 8.294 -0.505 19654 6470 1 9 . 1 1 83 83 HIS N N 83 118.994 118.994 118.504 0.490 19654 6471 1 9 . 1 1 83 83 HIS HA H 83 4.409 4.409 4.377 0.032 19654 6472 1 9 . 1 1 83 83 HIS CA C 83 58.245 58.245 58.901 -0.656 19654 6473 1 9 . 1 1 83 83 HIS CB C 83 29.735 29.735 29.258 0.477 19654 6474 1 9 . 1 1 83 83 HIS H H 83 7.543 7.543 7.511 0.032 19654 6475 1 9 . 1 1 84 84 VAL N N 84 117.112 117.112 119.219 -2.107 19654 6476 1 9 . 1 1 84 84 VAL HA H 84 3.631 3.631 3.723 -0.092 19654 6477 1 9 . 1 1 84 84 VAL CA C 84 64.628 64.628 65.847 -1.219 19654 6478 1 9 . 1 1 84 84 VAL CB C 84 31.904 31.904 31.691 0.213 19654 6479 1 9 . 1 1 84 84 VAL H H 84 7.713 7.713 7.880 -0.167 19654 6480 1 9 . 1 1 85 85 PHE N N 85 115.531 115.531 117.183 -1.652 19654 6481 1 9 . 1 1 85 85 PHE HA H 85 4.733 4.733 4.485 0.248 19654 6482 1 9 . 1 1 85 85 PHE CA C 85 57.326 57.326 58.294 -0.968 19654 6483 1 9 . 1 1 85 85 PHE CB C 85 39.507 39.507 37.151 2.356 19654 6484 1 9 . 1 1 85 85 PHE H H 85 7.743 7.743 7.757 -0.014 19654 6485 1 9 . 1 1 86 86 SER N N 86 114.812 114.812 114.810 0.002 19654 6486 1 9 . 1 1 86 86 SER HA H 86 4.275 4.275 4.548 -0.273 19654 6487 1 9 . 1 1 86 86 SER CA C 86 59.832 59.832 57.210 2.622 19654 6488 1 9 . 1 1 86 86 SER CB C 86 63.482 63.482 63.225 0.257 19654 6489 1 9 . 1 1 86 86 SER H H 86 7.634 7.634 7.813 -0.179 19654 6490 1 9 . 1 1 87 87 ASP N N 87 120.986 120.986 122.080 -1.094 19654 6491 1 9 . 1 1 87 87 ASP HA H 87 4.491 4.491 4.330 0.161 19654 6492 1 9 . 1 1 87 87 ASP CA C 87 54.032 54.032 55.462 -1.431 19654 6493 1 9 . 1 1 87 87 ASP CB C 87 40.411 40.411 40.772 -0.361 19654 6494 1 9 . 1 1 87 87 ASP H H 87 8.043 8.043 8.340 -0.297 19654 6495 1 9 . 1 1 88 88 GLY N N 88 108.171 108.171 104.772 3.399 19654 6496 1 9 . 1 1 88 88 GLY CA C 88 44.981 44.981 44.903 0.078 19654 6497 1 9 . 1 1 88 88 GLY H H 88 8.163 8.163 8.194 -0.031 19654 6498 1 9 . 1 1 89 89 VAL N N 89 121.716 121.716 114.432 7.284 19654 6499 1 9 . 1 1 89 89 VAL HA H 89 3.879 3.879 4.540 -0.661 19654 6500 1 9 . 1 1 89 89 VAL CA C 89 62.471 62.471 60.203 2.268 19654 6501 1 9 . 1 1 89 89 VAL CB C 89 32.418 32.418 34.111 -1.694 19654 6502 1 9 . 1 1 89 89 VAL H H 89 7.886 7.886 7.240 0.646 19654 6503 1 9 . 1 1 90 90 THR N N 90 121.669 121.669 119.837 1.832 19654 6504 1 9 . 1 1 90 90 THR HA H 90 3.657 3.657 4.147 -0.490 19654 6505 1 9 . 1 1 90 90 THR CA C 90 62.473 62.473 62.433 0.040 19654 6506 1 9 . 1 1 90 90 THR CB C 90 68.528 68.528 67.698 0.829 19654 6507 1 9 . 1 1 90 90 THR H H 90 8.201 8.201 8.384 -0.183 19654 6508 1 9 . 1 1 91 91 ASN HA H 91 4.162 4.162 4.543 -0.381 19654 6509 1 9 . 1 1 91 91 ASN CA C 91 51.748 51.748 51.016 0.732 19654 6510 1 9 . 1 1 91 91 ASN CB C 91 39.645 39.645 39.933 -0.288 19654 6511 1 9 . 1 1 91 91 ASN H H 91 8.826 8.826 7.458 1.368 19654 6512 1 9 . 1 1 92 92 TRP N N 92 118.437 118.437 118.977 -0.540 19654 6513 1 9 . 1 1 92 92 TRP HA H 92 4.739 4.739 4.551 0.188 19654 6514 1 9 . 1 1 92 92 TRP CA C 92 60.233 60.233 57.551 2.682 19654 6515 1 9 . 1 1 92 92 TRP CB C 92 30.167 30.167 29.566 0.601 19654 6516 1 9 . 1 1 92 92 TRP H H 92 8.942 8.942 7.861 1.081 19654 6517 1 9 . 1 1 93 93 GLY N N 93 108.154 108.154 109.785 -1.631 19654 6518 1 9 . 1 1 93 93 GLY CA C 93 47.544 47.544 46.647 0.897 19654 6519 1 9 . 1 1 93 93 GLY H H 93 8.697 8.697 8.348 0.349 19654 6520 1 9 . 1 1 94 94 ARG N N 94 122.547 122.547 120.455 2.092 19654 6521 1 9 . 1 1 94 94 ARG HA H 94 4.072 4.072 3.792 0.280 19654 6522 1 9 . 1 1 94 94 ARG CA C 94 58.556 58.556 59.003 -0.447 19654 6523 1 9 . 1 1 94 94 ARG CB C 94 30.201 30.201 29.090 1.111 19654 6524 1 9 . 1 1 94 94 ARG H H 94 8.353 8.353 8.158 0.195 19654 6525 1 9 . 1 1 95 95 ILE N N 95 120.130 120.130 119.128 1.002 19654 6526 1 9 . 1 1 95 95 ILE HA H 95 3.708 3.708 3.799 -0.091 19654 6527 1 9 . 1 1 95 95 ILE CA C 95 65.511 65.511 62.613 2.898 19654 6528 1 9 . 1 1 95 95 ILE CB C 95 37.486 37.486 36.487 0.999 19654 6529 1 9 . 1 1 95 95 ILE H H 95 7.545 7.545 7.066 0.479 19654 6530 1 9 . 1 1 96 96 VAL N N 96 119.403 119.403 121.350 -1.947 19654 6531 1 9 . 1 1 96 96 VAL HA H 96 3.723 3.723 3.488 0.235 19654 6532 1 9 . 1 1 96 96 VAL CA C 96 67.249 67.249 67.345 -0.096 19654 6533 1 9 . 1 1 96 96 VAL CB C 96 31.001 31.001 31.188 -0.187 19654 6534 1 9 . 1 1 96 96 VAL H H 96 8.990 8.990 8.097 0.893 19654 6535 1 9 . 1 1 97 97 THR N N 97 122.016 122.016 116.576 5.440 19654 6536 1 9 . 1 1 97 97 THR HA H 97 3.784 3.784 3.951 -0.167 19654 6537 1 9 . 1 1 97 97 THR CA C 97 68.159 68.159 66.684 1.475 19654 6538 1 9 . 1 1 97 97 THR CB C 97 67.212 67.212 68.515 -1.303 19654 6539 1 9 . 1 1 97 97 THR H H 97 8.605 8.605 8.322 0.283 19654 6540 1 9 . 1 1 98 98 LEU N N 98 122.476 122.476 123.729 -1.253 19654 6541 1 9 . 1 1 98 98 LEU HA H 98 3.805 3.805 4.092 -0.287 19654 6542 1 9 . 1 1 98 98 LEU CA C 98 58.818 58.818 58.286 0.532 19654 6543 1 9 . 1 1 98 98 LEU CB C 98 41.158 41.158 41.793 -0.635 19654 6544 1 9 . 1 1 98 98 LEU H H 98 7.769 7.769 7.977 -0.208 19654 6545 1 9 . 1 1 99 99 ILE N N 99 117.997 117.997 118.289 -0.292 19654 6546 1 9 . 1 1 99 99 ILE HA H 99 3.509 3.509 3.585 -0.076 19654 6547 1 9 . 1 1 99 99 ILE CA C 99 66.261 66.261 65.666 0.595 19654 6548 1 9 . 1 1 99 99 ILE CB C 99 38.350 38.350 37.438 0.912 19654 6549 1 9 . 1 1 99 99 ILE H H 99 8.175 8.175 8.158 0.017 19654 6550 1 9 . 1 1 100 100 SER N N 100 116.934 116.934 116.697 0.237 19654 6551 1 9 . 1 1 100 100 SER HA H 100 4.447 4.447 4.347 0.100 19654 6552 1 9 . 1 1 100 100 SER CA C 100 63.290 63.290 62.515 0.775 19654 6553 1 9 . 1 1 100 100 SER CB C 100 62.867 62.867 63.002 -0.134 19654 6554 1 9 . 1 1 100 100 SER H H 100 8.989 8.989 8.535 0.454 19654 6555 1 9 . 1 1 101 101 PHE N N 101 124.640 124.640 122.463 2.177 19654 6556 1 9 . 1 1 101 101 PHE HA H 101 3.420 3.420 3.798 -0.378 19654 6557 1 9 . 1 1 101 101 PHE CA C 101 60.499 60.499 59.469 1.030 19654 6558 1 9 . 1 1 101 101 PHE CB C 101 37.333 37.333 38.610 -1.277 19654 6559 1 9 . 1 1 101 101 PHE H H 101 8.513 8.513 8.550 -0.037 19654 6560 1 9 . 1 1 102 102 GLY N N 102 106.116 106.116 107.464 -1.348 19654 6561 1 9 . 1 1 102 102 GLY CA C 102 48.166 48.166 47.098 1.068 19654 6562 1 9 . 1 1 102 102 GLY H H 102 8.111 8.111 8.350 -0.239 19654 6563 1 9 . 1 1 103 103 ALA N N 103 124.560 124.560 124.438 0.122 19654 6564 1 9 . 1 1 103 103 ALA HA H 103 3.780 3.780 3.976 -0.196 19654 6565 1 9 . 1 1 103 103 ALA CA C 103 55.646 55.646 54.720 0.926 19654 6566 1 9 . 1 1 103 103 ALA CB C 103 18.476 18.476 18.613 -0.137 19654 6567 1 9 . 1 1 103 103 ALA H H 103 8.437 8.437 8.342 0.095 19654 6568 1 9 . 1 1 104 104 PHE N N 104 120.981 120.981 120.434 0.547 19654 6569 1 9 . 1 1 104 104 PHE HA H 104 3.989 3.989 4.096 -0.107 19654 6570 1 9 . 1 1 104 104 PHE CA C 104 62.258 62.258 61.658 0.600 19654 6571 1 9 . 1 1 104 104 PHE CB C 104 39.949 39.949 39.291 0.658 19654 6572 1 9 . 1 1 104 104 PHE H H 104 8.213 8.213 7.941 0.272 19654 6573 1 9 . 1 1 105 105 VAL N N 105 120.473 120.473 119.000 1.473 19654 6574 1 9 . 1 1 105 105 VAL HA H 105 3.236 3.236 3.484 -0.248 19654 6575 1 9 . 1 1 105 105 VAL CA C 105 66.348 66.348 66.758 -0.410 19654 6576 1 9 . 1 1 105 105 VAL CB C 105 30.720 30.720 30.993 -0.273 19654 6577 1 9 . 1 1 105 105 VAL H H 105 8.513 8.513 8.284 0.229 19654 6578 1 9 . 1 1 106 106 ALA N N 106 123.948 123.948 122.768 1.180 19654 6579 1 9 . 1 1 106 106 ALA HA H 106 3.660 3.660 3.808 -0.148 19654 6580 1 9 . 1 1 106 106 ALA CA C 106 55.607 55.607 55.502 0.105 19654 6581 1 9 . 1 1 106 106 ALA CB C 106 18.003 18.003 18.032 -0.029 19654 6582 1 9 . 1 1 106 106 ALA H H 106 8.807 8.807 8.136 0.671 19654 6583 1 9 . 1 1 107 107 LYS N N 107 115.836 115.836 118.347 -2.511 19654 6584 1 9 . 1 1 107 107 LYS HA H 107 3.733 3.733 3.823 -0.090 19654 6585 1 9 . 1 1 107 107 LYS CA C 107 60.462 60.462 59.713 0.749 19654 6586 1 9 . 1 1 107 107 LYS CB C 107 31.907 31.907 32.091 -0.184 19654 6587 1 9 . 1 1 107 107 LYS H H 107 7.934 7.934 7.641 0.293 19654 6588 1 9 . 1 1 108 108 HIS N N 108 120.459 120.459 119.272 1.187 19654 6589 1 9 . 1 1 108 108 HIS HA H 108 4.212 4.212 4.281 -0.069 19654 6590 1 9 . 1 1 108 108 HIS CA C 108 59.623 59.623 59.156 0.467 19654 6591 1 9 . 1 1 108 108 HIS CB C 108 29.838 29.838 29.701 0.137 19654 6592 1 9 . 1 1 108 108 HIS H H 108 7.254 7.254 7.417 -0.163 19654 6593 1 9 . 1 1 109 109 LEU N N 109 118.336 118.336 120.545 -2.209 19654 6594 1 9 . 1 1 109 109 LEU HA H 109 3.640 3.640 3.755 -0.115 19654 6595 1 9 . 1 1 109 109 LEU CA C 109 56.945 56.945 58.099 -1.153 19654 6596 1 9 . 1 1 109 109 LEU CB C 109 39.709 39.709 41.639 -1.930 19654 6597 1 9 . 1 1 109 109 LEU H H 109 8.709 8.709 8.585 0.124 19654 6598 1 9 . 1 1 110 110 LYS N N 110 118.036 118.036 118.805 -0.769 19654 6599 1 9 . 1 1 110 110 LYS HA H 110 3.944 3.944 3.915 0.029 19654 6600 1 9 . 1 1 110 110 LYS CA C 110 58.967 58.967 59.652 -0.685 19654 6601 1 9 . 1 1 110 110 LYS CB C 110 32.220 32.220 32.234 -0.014 19654 6602 1 9 . 1 1 110 110 LYS H H 110 7.752 7.752 8.278 -0.526 19654 6603 1 9 . 1 1 111 111 THR N N 111 115.985 115.985 116.184 -0.199 19654 6604 1 9 . 1 1 111 111 THR HA H 111 3.990 3.990 4.009 -0.019 19654 6605 1 9 . 1 1 111 111 THR CA C 111 65.921 65.921 66.028 -0.106 19654 6606 1 9 . 1 1 111 111 THR CB C 111 68.611 68.611 68.807 -0.196 19654 6607 1 9 . 1 1 111 111 THR H H 111 7.832 7.832 7.666 0.166 19654 6608 1 9 . 1 1 112 112 ILE N N 112 112.606 112.606 114.329 -1.723 19654 6609 1 9 . 1 1 112 112 ILE HA H 112 4.454 4.454 4.304 0.150 19654 6610 1 9 . 1 1 112 112 ILE CA C 112 60.922 60.922 60.883 0.039 19654 6611 1 9 . 1 1 112 112 ILE CB C 112 36.813 36.813 37.411 -0.598 19654 6612 1 9 . 1 1 112 112 ILE H H 112 7.262 7.262 7.369 -0.107 19654 6613 1 9 . 1 1 113 113 ASN N N 113 116.297 116.297 115.480 0.817 19654 6614 1 9 . 1 1 113 113 ASN HA H 113 4.576 4.576 4.410 0.166 19654 6615 1 9 . 1 1 113 113 ASN CA C 113 54.653 54.653 55.004 -0.351 19654 6616 1 9 . 1 1 113 113 ASN CB C 113 36.497 36.497 37.267 -0.770 19654 6617 1 9 . 1 1 113 113 ASN H H 113 7.816 7.816 7.722 0.094 19654 6618 1 9 . 1 1 114 114 GLN N N 114 117.958 117.958 117.339 0.619 19654 6619 1 9 . 1 1 114 114 GLN HA H 114 4.739 4.739 4.490 0.249 19654 6620 1 9 . 1 1 114 114 GLN CA C 114 54.079 54.079 54.595 -0.516 19654 6621 1 9 . 1 1 114 114 GLN CB C 114 28.840 28.840 27.764 1.077 19654 6622 1 9 . 1 1 114 114 GLN H H 114 8.522 8.522 8.396 0.127 19654 6623 1 9 . 1 1 115 115 GLU N N 115 120.597 120.597 122.221 -1.624 19654 6624 1 9 . 1 1 115 115 GLU HA H 115 3.646 3.646 3.958 -0.312 19654 6625 1 9 . 1 1 115 115 GLU CA C 115 59.569 59.569 59.908 -0.339 19654 6626 1 9 . 1 1 115 115 GLU CB C 115 29.061 29.061 29.126 -0.065 19654 6627 1 9 . 1 1 115 115 GLU H H 115 8.881 8.881 8.588 0.293 19654 6628 1 9 . 1 1 116 116 SER N N 116 115.352 115.352 114.035 1.317 19654 6629 1 9 . 1 1 116 116 SER HA H 116 4.250 4.250 4.191 0.059 19654 6630 1 9 . 1 1 116 116 SER CA C 116 60.593 60.593 61.358 -0.765 19654 6631 1 9 . 1 1 116 116 SER CB C 116 62.231 62.231 62.807 -0.576 19654 6632 1 9 . 1 1 116 116 SER H H 116 8.702 8.702 8.681 0.021 19654 6633 1 9 . 1 1 117 117 SER N N 117 116.944 116.944 117.318 -0.374 19654 6634 1 9 . 1 1 117 117 SER HA H 117 4.461 4.461 4.314 0.147 19654 6635 1 9 . 1 1 117 117 SER CA C 117 60.219 60.219 60.602 -0.383 19654 6636 1 9 . 1 1 117 117 SER CB C 117 64.116 64.116 62.981 1.135 19654 6637 1 9 . 1 1 117 117 SER H H 117 7.963 7.963 7.805 0.158 19654 6638 1 9 . 1 1 118 118 ILE N N 118 122.505 122.505 121.267 1.238 19654 6639 1 9 . 1 1 118 118 ILE HA H 118 3.419 3.419 3.569 -0.150 19654 6640 1 9 . 1 1 118 118 ILE CA C 118 66.227 66.227 65.702 0.525 19654 6641 1 9 . 1 1 118 118 ILE CB C 118 36.723 36.723 37.558 -0.835 19654 6642 1 9 . 1 1 118 118 ILE H H 118 7.945 7.945 7.876 0.069 19654 6643 1 9 . 1 1 119 119 GLU N N 119 119.604 119.604 119.328 0.276 19654 6644 1 9 . 1 1 119 119 GLU HA H 119 4.244 4.244 4.147 0.097 19654 6645 1 9 . 1 1 119 119 GLU CA C 119 61.540 61.540 61.195 0.345 19654 6646 1 9 . 1 1 119 119 GLU CB C 119 26.092 26.092 27.654 -1.562 19654 6647 1 9 . 1 1 119 119 GLU H H 119 8.244 8.244 8.303 -0.059 19654 6648 1 9 . 1 1 120 120 PRO HA H 120 4.446 4.446 4.518 -0.072 19654 6649 1 9 . 1 1 120 120 PRO CA C 120 65.583 65.583 65.444 0.139 19654 6650 1 9 . 1 1 120 120 PRO CB C 120 30.167 30.167 31.449 -1.282 19654 6651 1 9 . 1 1 121 121 LEU N N 121 120.974 120.974 120.112 0.862 19654 6652 1 9 . 1 1 121 121 LEU HA H 121 3.990 3.990 4.095 -0.105 19654 6653 1 9 . 1 1 121 121 LEU CA C 121 58.436 58.436 57.621 0.815 19654 6654 1 9 . 1 1 121 121 LEU CB C 121 40.988 40.988 41.707 -0.719 19654 6655 1 9 . 1 1 121 121 LEU H H 121 7.587 7.587 7.973 -0.386 19654 6656 1 9 . 1 1 122 122 ALA N N 122 121.982 121.982 121.439 0.543 19654 6657 1 9 . 1 1 122 122 ALA HA H 122 3.743 3.743 3.899 -0.156 19654 6658 1 9 . 1 1 122 122 ALA CA C 122 55.233 55.233 55.294 -0.061 19654 6659 1 9 . 1 1 122 122 ALA CB C 122 17.687 17.687 17.920 -0.233 19654 6660 1 9 . 1 1 122 122 ALA H H 122 8.593 8.593 8.180 0.413 19654 6661 1 9 . 1 1 123 123 GLU N N 123 120.516 120.516 118.388 2.128 19654 6662 1 9 . 1 1 123 123 GLU HA H 123 3.862 3.862 3.943 -0.081 19654 6663 1 9 . 1 1 123 123 GLU CA C 123 59.995 59.995 59.400 0.595 19654 6664 1 9 . 1 1 123 123 GLU CB C 123 29.298 29.298 29.549 -0.251 19654 6665 1 9 . 1 1 123 123 GLU H H 123 8.568 8.568 8.396 0.172 19654 6666 1 9 . 1 1 124 124 SER N N 124 116.054 116.054 116.252 -0.198 19654 6667 1 9 . 1 1 124 124 SER HA H 124 4.367 4.367 4.221 0.146 19654 6668 1 9 . 1 1 124 124 SER CA C 124 62.240 62.240 62.455 -0.214 19654 6669 1 9 . 1 1 124 124 SER CB C 124 63.074 63.074 62.813 0.261 19654 6670 1 9 . 1 1 124 124 SER H H 124 8.282 8.282 8.036 0.246 19654 6671 1 9 . 1 1 125 125 ILE N N 125 120.575 120.575 122.014 -1.439 19654 6672 1 9 . 1 1 125 125 ILE HA H 125 3.627 3.627 3.793 -0.166 19654 6673 1 9 . 1 1 125 125 ILE CA C 125 64.655 64.655 64.589 0.066 19654 6674 1 9 . 1 1 125 125 ILE CB C 125 37.413 37.413 36.767 0.645 19654 6675 1 9 . 1 1 125 125 ILE H H 125 8.343 8.343 8.601 -0.258 19654 6676 1 9 . 1 1 126 126 THR N N 126 116.459 116.459 115.826 0.633 19654 6677 1 9 . 1 1 126 126 THR HA H 126 3.482 3.482 3.903 -0.421 19654 6678 1 9 . 1 1 126 126 THR CA C 126 68.679 68.679 67.053 1.626 19654 6679 1 9 . 1 1 126 126 THR CB C 126 67.075 67.075 67.818 -0.743 19654 6680 1 9 . 1 1 126 126 THR H H 126 8.056 8.056 8.070 -0.014 19654 6681 1 9 . 1 1 127 127 ASP N N 127 120.236 120.236 122.113 -1.877 19654 6682 1 9 . 1 1 127 127 ASP HA H 127 4.481 4.481 4.639 -0.158 19654 6683 1 9 . 1 1 127 127 ASP CA C 127 58.322 58.322 57.703 0.619 19654 6684 1 9 . 1 1 127 127 ASP CB C 127 41.822 41.822 40.993 0.829 19654 6685 1 9 . 1 1 127 127 ASP H H 127 8.813 8.813 8.166 0.647 19654 6686 1 9 . 1 1 128 128 VAL N N 128 116.904 116.904 120.078 -3.174 19654 6687 1 9 . 1 1 128 128 VAL HA H 128 3.677 3.677 3.704 -0.027 19654 6688 1 9 . 1 1 128 128 VAL CA C 128 66.346 66.346 66.140 0.206 19654 6689 1 9 . 1 1 128 128 VAL CB C 128 31.351 31.351 31.368 -0.017 19654 6690 1 9 . 1 1 128 128 VAL H H 128 7.949 7.949 8.037 -0.088 19654 6691 1 9 . 1 1 129 129 LEU N N 129 121.043 121.043 121.393 -0.350 19654 6692 1 9 . 1 1 129 129 LEU HA H 129 3.819 3.819 4.006 -0.187 19654 6693 1 9 . 1 1 129 129 LEU CA C 129 58.742 58.742 58.357 0.385 19654 6694 1 9 . 1 1 129 129 LEU CB C 129 42.370 42.370 41.889 0.481 19654 6695 1 9 . 1 1 129 129 LEU H H 129 8.198 8.198 8.074 0.124 19654 6696 1 9 . 1 1 130 130 VAL N N 130 114.370 114.370 117.666 -3.296 19654 6697 1 9 . 1 1 130 130 VAL HA H 130 3.525 3.525 3.657 -0.132 19654 6698 1 9 . 1 1 130 130 VAL CA C 130 66.004 66.004 66.179 -0.175 19654 6699 1 9 . 1 1 130 130 VAL CB C 130 31.320 31.320 31.767 -0.447 19654 6700 1 9 . 1 1 130 130 VAL H H 130 8.858 8.858 8.406 0.452 19654 6701 1 9 . 1 1 131 131 ARG N N 131 115.890 115.890 119.569 -3.679 19654 6702 1 9 . 1 1 131 131 ARG HA H 131 4.284 4.284 4.104 0.180 19654 6703 1 9 . 1 1 131 131 ARG CA C 131 59.255 59.255 58.780 0.475 19654 6704 1 9 . 1 1 131 131 ARG CB C 131 30.009 30.009 29.933 0.076 19654 6705 1 9 . 1 1 131 131 ARG H H 131 8.619 8.619 8.167 0.452 19654 6706 1 9 . 1 1 132 132 THR N N 132 106.654 106.654 110.841 -4.187 19654 6707 1 9 . 1 1 132 132 THR HA H 132 4.464 4.464 4.431 0.033 19654 6708 1 9 . 1 1 132 132 THR CA C 132 64.081 64.081 63.160 0.921 19654 6709 1 9 . 1 1 132 132 THR CB C 132 69.870 69.870 70.011 -0.141 19654 6710 1 9 . 1 1 132 132 THR H H 132 7.530 7.530 7.588 -0.058 19654 6711 1 9 . 1 1 133 133 LYS N N 133 117.426 117.426 120.645 -3.219 19654 6712 1 9 . 1 1 133 133 LYS HA H 133 5.029 5.029 4.910 0.119 19654 6713 1 9 . 1 1 133 133 LYS CA C 133 53.009 53.009 54.497 -1.488 19654 6714 1 9 . 1 1 133 133 LYS CB C 133 31.044 31.044 32.246 -1.202 19654 6715 1 9 . 1 1 133 133 LYS H H 133 7.691 7.691 7.929 -0.238 19654 6716 1 9 . 1 1 134 134 ARG N N 134 120.904 120.904 121.556 -0.652 19654 6717 1 9 . 1 1 134 134 ARG HA H 134 3.679 3.679 3.921 -0.242 19654 6718 1 9 . 1 1 134 134 ARG CA C 134 61.456 61.456 60.039 1.417 19654 6719 1 9 . 1 1 134 134 ARG CB C 134 30.261 30.261 29.815 0.446 19654 6720 1 9 . 1 1 134 134 ARG H H 134 7.341 7.341 7.767 -0.426 19654 6721 1 9 . 1 1 135 135 ASP N N 135 114.262 114.262 117.862 -3.600 19654 6722 1 9 . 1 1 135 135 ASP HA H 135 4.238 4.238 4.459 -0.221 19654 6723 1 9 . 1 1 135 135 ASP CA C 135 57.595 57.595 57.179 0.416 19654 6724 1 9 . 1 1 135 135 ASP CB C 135 39.961 39.961 40.038 -0.077 19654 6725 1 9 . 1 1 135 135 ASP H H 135 8.386 8.386 8.681 -0.295 19654 6726 1 9 . 1 1 136 136 TRP N N 136 121.564 121.564 120.295 1.269 19654 6727 1 9 . 1 1 136 136 TRP HA H 136 3.858 3.858 4.342 -0.484 19654 6728 1 9 . 1 1 136 136 TRP CA C 136 62.373 62.373 60.147 2.226 19654 6729 1 9 . 1 1 136 136 TRP CB C 136 28.807 28.807 29.374 -0.567 19654 6730 1 9 . 1 1 136 136 TRP H H 136 7.844 7.844 7.821 0.023 19654 6731 1 9 . 1 1 137 137 LEU N N 137 117.395 117.395 118.893 -1.498 19654 6732 1 9 . 1 1 137 137 LEU HA H 137 3.461 3.461 3.920 -0.459 19654 6733 1 9 . 1 1 137 137 LEU CA C 137 58.325 58.325 57.992 0.334 19654 6734 1 9 . 1 1 137 137 LEU CB C 137 42.979 42.979 41.565 1.414 19654 6735 1 9 . 1 1 137 137 LEU H H 137 8.623 8.623 8.446 0.177 19654 6736 1 9 . 1 1 138 138 VAL N N 138 118.341 118.341 115.643 2.698 19654 6737 1 9 . 1 1 138 138 VAL HA H 138 3.586 3.586 3.792 -0.206 19654 6738 1 9 . 1 1 138 138 VAL CA C 138 66.501 66.501 65.233 1.268 19654 6739 1 9 . 1 1 138 138 VAL CB C 138 31.588 31.588 32.019 -0.431 19654 6740 1 9 . 1 1 138 138 VAL H H 138 8.631 8.631 7.547 1.084 19654 6741 1 9 . 1 1 139 139 LYS N N 139 122.096 122.096 121.204 0.892 19654 6742 1 9 . 1 1 139 139 LYS HA H 139 3.941 3.941 4.059 -0.118 19654 6743 1 9 . 1 1 139 139 LYS CA C 139 58.925 58.925 58.791 0.134 19654 6744 1 9 . 1 1 139 139 LYS CB C 139 31.752 31.752 31.987 -0.235 19654 6745 1 9 . 1 1 139 139 LYS H H 139 7.695 7.695 8.375 -0.680 19654 6746 1 9 . 1 1 140 140 GLN N N 140 115.416 115.416 115.651 -0.235 19654 6747 1 9 . 1 1 140 140 GLN HA H 140 3.970 3.970 4.757 -0.787 19654 6748 1 9 . 1 1 140 140 GLN CA C 140 54.309 54.309 54.344 -0.035 19654 6749 1 9 . 1 1 140 140 GLN CB C 140 27.174 27.174 29.119 -1.945 19654 6750 1 9 . 1 1 140 140 GLN H H 140 7.344 7.344 8.095 -0.751 19654 6751 1 9 . 1 1 141 141 ARG N N 141 110.160 110.160 116.325 -6.165 19654 6752 1 9 . 1 1 141 141 ARG HA H 141 3.899 3.899 3.942 -0.043 19654 6753 1 9 . 1 1 141 141 ARG CA C 141 57.400 57.400 57.497 -0.097 19654 6754 1 9 . 1 1 141 141 ARG CB C 141 25.640 25.640 28.326 -2.686 19654 6755 1 9 . 1 1 141 141 ARG H H 141 7.677 7.677 8.133 -0.456 19654 6756 1 9 . 1 1 142 142 GLY N N 142 107.741 107.741 106.539 1.202 19654 6757 1 9 . 1 1 142 142 GLY CA C 142 45.633 45.633 46.568 -0.935 19654 6758 1 9 . 1 1 142 142 GLY H H 142 8.931 8.931 7.828 1.103 19654 6759 1 9 . 1 1 143 143 TRP N N 143 123.871 123.871 123.623 0.248 19654 6760 1 9 . 1 1 143 143 TRP HA H 143 4.273 4.273 4.344 -0.071 19654 6761 1 9 . 1 1 143 143 TRP CA C 143 59.317 59.317 59.481 -0.164 19654 6762 1 9 . 1 1 143 143 TRP CB C 143 28.435 28.435 29.363 -0.927 19654 6763 1 9 . 1 1 143 143 TRP H H 143 9.004 9.004 7.163 1.841 19654 6764 1 9 . 1 1 144 144 ASP N N 144 119.481 119.481 118.453 1.028 19654 6765 1 9 . 1 1 144 144 ASP HA H 144 4.553 4.553 4.384 0.169 19654 6766 1 9 . 1 1 144 144 ASP CA C 144 57.825 57.825 58.239 -0.414 19654 6767 1 9 . 1 1 144 144 ASP CB C 144 40.435 40.435 40.315 0.120 19654 6768 1 9 . 1 1 144 144 ASP H H 144 8.071 8.071 8.432 -0.361 19654 6769 1 9 . 1 1 145 145 GLY N N 145 109.653 109.653 107.783 1.870 19654 6770 1 9 . 1 1 145 145 GLY CA C 145 46.856 46.856 46.865 -0.009 19654 6771 1 9 . 1 1 145 145 GLY H H 145 7.493 7.493 7.581 -0.088 19654 6772 1 9 . 1 1 146 146 PHE N N 146 124.053 124.053 122.768 1.285 19654 6773 1 9 . 1 1 146 146 PHE HA H 146 2.455 2.455 4.007 -1.552 19654 6774 1 9 . 1 1 146 146 PHE CA C 146 60.349 60.349 59.502 0.847 19654 6775 1 9 . 1 1 146 146 PHE CB C 146 38.607 38.607 39.162 -0.555 19654 6776 1 9 . 1 1 146 146 PHE H H 146 7.257 7.257 7.755 -0.498 19654 6777 1 9 . 1 1 147 147 VAL N N 147 116.525 116.525 119.018 -2.493 19654 6778 1 9 . 1 1 147 147 VAL HA H 147 3.298 3.298 3.353 -0.055 19654 6779 1 9 . 1 1 147 147 VAL CA C 147 66.080 66.080 66.356 -0.276 19654 6780 1 9 . 1 1 147 147 VAL CB C 147 31.904 31.904 31.735 0.169 19654 6781 1 9 . 1 1 147 147 VAL H H 147 7.700 7.700 7.944 -0.244 19654 6782 1 9 . 1 1 148 148 GLU N N 148 118.404 118.404 119.462 -1.058 19654 6783 1 9 . 1 1 148 148 GLU HA H 148 3.985 3.985 4.130 -0.145 19654 6784 1 9 . 1 1 148 148 GLU CA C 148 58.933 58.933 59.040 -0.107 19654 6785 1 9 . 1 1 148 148 GLU CB C 148 29.535 29.535 29.289 0.246 19654 6786 1 9 . 1 1 148 148 GLU H H 148 7.801 7.801 8.273 -0.472 19654 6787 1 9 . 1 1 149 149 PHE N N 149 120.305 120.305 121.726 -1.421 19654 6788 1 9 . 1 1 149 149 PHE HA H 149 3.970 3.970 3.941 0.029 19654 6789 1 9 . 1 1 149 149 PHE CA C 149 61.341 61.341 61.745 -0.404 19654 6790 1 9 . 1 1 149 149 PHE CB C 149 39.011 39.011 39.312 -0.301 19654 6791 1 9 . 1 1 149 149 PHE H H 149 8.358 8.358 7.931 0.427 19654 6792 1 9 . 1 1 150 150 PHE N N 150 112.582 112.582 112.928 -0.346 19654 6793 1 9 . 1 1 150 150 PHE HA H 150 4.255 4.255 4.424 -0.169 19654 6794 1 9 . 1 1 150 150 PHE CA C 150 59.075 59.075 58.840 0.235 19654 6795 1 9 . 1 1 150 150 PHE CB C 150 39.487 39.487 39.732 -0.245 19654 6796 1 9 . 1 1 150 150 PHE H H 150 6.927 6.927 7.497 -0.570 19654 6797 1 9 . 1 1 151 151 HIS N N 151 118.966 118.966 119.144 -0.178 19654 6798 1 9 . 1 1 151 151 HIS HA H 151 4.370 4.370 4.315 0.055 19654 6799 1 9 . 1 1 151 151 HIS CA C 151 56.788 56.788 56.717 0.071 19654 6800 1 9 . 1 1 151 151 HIS CB C 151 28.827 28.827 28.151 0.676 19654 6801 1 9 . 1 1 151 151 HIS H H 151 7.483 7.483 7.679 -0.196 19654 6802 1 9 . 1 1 152 152 VAL N N 152 120.499 120.499 123.786 -3.287 19654 6803 1 9 . 1 1 152 152 VAL HA H 152 3.950 3.950 3.980 -0.030 19654 6804 1 9 . 1 1 152 152 VAL CA C 152 62.110 62.110 64.417 -2.307 19654 6805 1 9 . 1 1 152 152 VAL CB C 152 32.593 32.593 32.760 -0.167 19654 6806 1 9 . 1 1 152 152 VAL H H 152 8.103 8.103 7.936 0.167 19654 6807 1 9 . 1 1 153 153 GLU N N 153 123.580 123.580 120.555 3.025 19654 6808 1 9 . 1 1 153 153 GLU HA H 153 4.162 4.162 4.323 -0.161 19654 6809 1 9 . 1 1 153 153 GLU CA C 153 56.433 56.433 55.722 0.711 19654 6810 1 9 . 1 1 153 153 GLU CB C 153 30.101 30.101 28.130 1.971 19654 6811 1 9 . 1 1 153 153 GLU H H 153 8.446 8.446 8.348 0.098 19654 6812 1 9 . 1 1 154 154 ASP N N 154 120.964 120.964 120.281 0.683 19654 6813 1 9 . 1 1 154 154 ASP HA H 154 4.565 4.565 4.782 -0.217 19654 6814 1 9 . 1 1 154 154 ASP CA C 154 54.106 54.106 53.374 0.732 19654 6815 1 9 . 1 1 154 154 ASP CB C 154 40.836 40.836 43.647 -2.811 19654 6816 1 9 . 1 1 154 154 ASP H H 154 8.325 8.325 7.452 0.873 19654 6817 1 9 . 1 1 155 155 LEU N N 155 122.311 122.311 121.240 1.071 19654 6818 1 9 . 1 1 155 155 LEU HA H 155 4.230 4.230 4.858 -0.628 19654 6819 1 9 . 1 1 155 155 LEU CA C 155 55.340 55.340 56.456 -1.116 19654 6820 1 9 . 1 1 155 155 LEU CB C 155 42.094 42.094 41.574 0.520 19654 6821 1 9 . 1 1 155 155 LEU H H 155 8.210 8.210 8.542 -0.332 19654 6822 1 9 . 1 1 156 156 GLU N N 156 120.023 120.023 120.301 -0.278 19654 6823 1 9 . 1 1 156 156 GLU HA H 156 4.218 4.218 4.271 -0.053 19654 6824 1 9 . 1 1 156 156 GLU CA C 156 56.831 56.831 57.371 -0.540 19654 6825 1 9 . 1 1 156 156 GLU CB C 156 29.930 29.930 31.075 -1.145 19654 6826 1 9 . 1 1 156 156 GLU H H 156 8.396 8.396 8.310 0.086 19654 6827 1 9 . 1 1 157 157 GLY N N 157 109.371 109.371 105.557 3.814 19654 6828 1 9 . 1 1 157 157 GLY CA C 157 45.327 45.327 44.190 1.137 19654 6829 1 9 . 1 1 157 157 GLY H H 157 8.323 8.323 8.694 -0.371 19654 6830 1 9 . 1 1 158 158 GLY N N 158 108.074 108.074 112.956 -4.882 19654 6831 1 9 . 1 1 158 158 GLY CA C 158 45.061 45.061 45.326 -0.265 19654 6832 1 9 . 1 1 158 158 GLY H H 158 8.226 8.226 8.180 0.046 19654 6833 1 9 . 1 1 159 159 HIS N N 159 117.875 117.875 119.476 -1.601 19654 6834 1 9 . 1 1 159 159 HIS HA H 159 4.551 4.551 4.163 0.388 19654 6835 1 9 . 1 1 159 159 HIS CA C 159 55.600 55.600 57.006 -1.406 19654 6836 1 9 . 1 1 159 159 HIS CB C 159 29.800 29.800 28.316 1.484 19654 6837 1 9 . 1 1 159 159 HIS H H 159 8.210 8.210 8.508 -0.298 19654 6838 1 9 . 1 1 161 161 HIS N N 161 125.094 125.094 120.681 4.413 19654 6839 1 9 . 1 1 161 161 HIS HA H 161 4.585 4.585 4.714 -0.129 19654 6840 1 9 . 1 1 161 161 HIS H H 161 8.162 8.162 7.927 0.235 19654 6841 1 10 . 1 1 2 2 GLU HA H 2 4.333 4.333 4.490 -0.157 19654 6842 1 10 . 1 1 2 2 GLU CA C 2 56.183 56.183 55.536 0.647 19654 6843 1 10 . 1 1 2 2 GLU CB C 2 30.150 30.150 29.957 0.192 19654 6844 1 10 . 1 1 3 3 ASP N N 3 122.553 122.553 121.443 1.110 19654 6845 1 10 . 1 1 3 3 ASP HA H 3 4.729 4.729 4.615 0.114 19654 6846 1 10 . 1 1 3 3 ASP CA C 3 53.659 53.659 53.838 -0.179 19654 6847 1 10 . 1 1 3 3 ASP CB C 3 41.319 41.319 42.120 -0.801 19654 6848 1 10 . 1 1 3 3 ASP H H 3 8.437 8.437 8.378 0.059 19654 6849 1 10 . 1 1 4 4 GLU N N 4 125.121 125.121 121.201 3.920 19654 6850 1 10 . 1 1 4 4 GLU HA H 4 4.235 4.235 3.981 0.254 19654 6851 1 10 . 1 1 4 4 GLU CA C 4 58.915 58.915 59.866 -0.951 19654 6852 1 10 . 1 1 4 4 GLU CB C 4 29.274 29.274 29.856 -0.582 19654 6853 1 10 . 1 1 4 4 GLU H H 4 8.726 8.726 8.687 0.039 19654 6854 1 10 . 1 1 5 5 LEU N N 5 120.976 120.976 118.888 2.088 19654 6855 1 10 . 1 1 5 5 LEU HA H 5 4.517 4.517 4.188 0.329 19654 6856 1 10 . 1 1 5 5 LEU CA C 5 57.939 57.939 57.581 0.358 19654 6857 1 10 . 1 1 5 5 LEU CB C 5 40.917 40.917 41.505 -0.588 19654 6858 1 10 . 1 1 5 5 LEU H H 5 8.381 8.381 8.276 0.105 19654 6859 1 10 . 1 1 6 6 TYR N N 6 123.977 123.977 119.984 3.993 19654 6860 1 10 . 1 1 6 6 TYR HA H 6 3.865 3.865 4.404 -0.539 19654 6861 1 10 . 1 1 6 6 TYR CA C 6 62.721 62.721 61.285 1.436 19654 6862 1 10 . 1 1 6 6 TYR CB C 6 38.475 38.475 38.317 0.158 19654 6863 1 10 . 1 1 6 6 TYR H H 6 8.342 8.342 7.761 0.581 19654 6864 1 10 . 1 1 7 7 ARG N N 7 118.301 118.301 118.803 -0.502 19654 6865 1 10 . 1 1 7 7 ARG HA H 7 3.828 3.828 3.961 -0.133 19654 6866 1 10 . 1 1 7 7 ARG CA C 7 59.619 59.619 59.114 0.505 19654 6867 1 10 . 1 1 7 7 ARG CB C 7 29.720 29.720 29.189 0.531 19654 6868 1 10 . 1 1 7 7 ARG H H 7 8.452 8.452 8.141 0.311 19654 6869 1 10 . 1 1 8 8 GLN N N 8 119.421 119.421 119.317 0.104 19654 6870 1 10 . 1 1 8 8 GLN HA H 8 3.944 3.944 4.002 -0.058 19654 6871 1 10 . 1 1 8 8 GLN CA C 8 58.827 58.827 59.103 -0.276 19654 6872 1 10 . 1 1 8 8 GLN CB C 8 28.918 28.918 28.811 0.107 19654 6873 1 10 . 1 1 8 8 GLN H H 8 8.894 8.894 7.958 0.936 19654 6874 1 10 . 1 1 9 9 SER N N 9 113.384 113.384 116.351 -2.967 19654 6875 1 10 . 1 1 9 9 SER HA H 9 4.007 4.007 3.993 0.014 19654 6876 1 10 . 1 1 9 9 SER CA C 9 62.117 62.117 61.685 0.432 19654 6877 1 10 . 1 1 9 9 SER CB C 9 63.544 63.544 63.212 0.331 19654 6878 1 10 . 1 1 9 9 SER H H 9 8.018 8.018 8.172 -0.154 19654 6879 1 10 . 1 1 10 10 LEU N N 10 121.112 121.112 124.180 -3.068 19654 6880 1 10 . 1 1 10 10 LEU HA H 10 4.130 4.130 4.123 0.007 19654 6881 1 10 . 1 1 10 10 LEU CA C 10 57.022 57.022 57.348 -0.326 19654 6882 1 10 . 1 1 10 10 LEU CB C 10 41.146 41.146 41.548 -0.402 19654 6883 1 10 . 1 1 10 10 LEU H H 10 8.599 8.599 8.372 0.227 19654 6884 1 10 . 1 1 11 11 GLU N N 11 120.653 120.653 120.180 0.473 19654 6885 1 10 . 1 1 11 11 GLU HA H 11 3.914 3.914 3.909 0.005 19654 6886 1 10 . 1 1 11 11 GLU CA C 11 59.627 59.627 59.794 -0.167 19654 6887 1 10 . 1 1 11 11 GLU CB C 11 29.298 29.298 29.515 -0.217 19654 6888 1 10 . 1 1 11 11 GLU H H 11 7.806 7.806 7.686 0.120 19654 6889 1 10 . 1 1 12 12 ILE N N 12 117.297 117.297 119.562 -2.265 19654 6890 1 10 . 1 1 12 12 ILE HA H 12 3.121 3.121 3.492 -0.371 19654 6891 1 10 . 1 1 12 12 ILE CA C 12 65.774 65.774 65.542 0.232 19654 6892 1 10 . 1 1 12 12 ILE CB C 12 39.143 39.143 37.556 1.587 19654 6893 1 10 . 1 1 12 12 ILE H H 12 7.401 7.401 7.754 -0.353 19654 6894 1 10 . 1 1 13 13 ILE N N 13 117.560 117.560 118.866 -1.306 19654 6895 1 10 . 1 1 13 13 ILE HA H 13 3.302 3.302 3.565 -0.263 19654 6896 1 10 . 1 1 13 13 ILE CA C 13 66.420 66.420 65.508 0.912 19654 6897 1 10 . 1 1 13 13 ILE CB C 13 37.714 37.714 37.541 0.173 19654 6898 1 10 . 1 1 13 13 ILE H H 13 8.378 8.378 7.774 0.604 19654 6899 1 10 . 1 1 14 14 SER N N 14 113.892 113.892 116.051 -2.159 19654 6900 1 10 . 1 1 14 14 SER HA H 14 3.889 3.889 4.025 -0.136 19654 6901 1 10 . 1 1 14 14 SER CA C 14 62.310 62.310 62.263 0.047 19654 6902 1 10 . 1 1 14 14 SER CB C 14 62.282 62.282 63.094 -0.812 19654 6903 1 10 . 1 1 14 14 SER H H 14 9.048 9.048 8.391 0.657 19654 6904 1 10 . 1 1 15 15 ARG N N 15 118.890 118.890 121.056 -2.166 19654 6905 1 10 . 1 1 15 15 ARG HA H 15 4.033 4.033 3.963 0.070 19654 6906 1 10 . 1 1 15 15 ARG CA C 15 59.496 59.496 59.613 -0.117 19654 6907 1 10 . 1 1 15 15 ARG CB C 15 29.727 29.727 30.081 -0.354 19654 6908 1 10 . 1 1 15 15 ARG H H 15 7.655 7.655 8.093 -0.438 19654 6909 1 10 . 1 1 16 16 TYR N N 16 119.757 119.757 121.334 -1.577 19654 6910 1 10 . 1 1 16 16 TYR HA H 16 4.146 4.146 4.104 0.042 19654 6911 1 10 . 1 1 16 16 TYR CA C 16 61.265 61.265 61.728 -0.463 19654 6912 1 10 . 1 1 16 16 TYR CB C 16 38.495 38.495 38.248 0.247 19654 6913 1 10 . 1 1 16 16 TYR H H 16 8.351 8.351 7.980 0.371 19654 6914 1 10 . 1 1 17 17 LEU N N 17 118.494 118.494 118.716 -0.222 19654 6915 1 10 . 1 1 17 17 LEU HA H 17 3.375 3.375 3.769 -0.394 19654 6916 1 10 . 1 1 17 17 LEU CA C 17 59.627 59.627 58.506 1.121 19654 6917 1 10 . 1 1 17 17 LEU CB C 17 39.949 39.949 41.098 -1.149 19654 6918 1 10 . 1 1 17 17 LEU H H 17 8.578 8.578 8.509 0.069 19654 6919 1 10 . 1 1 18 18 ARG N N 18 115.962 115.962 119.374 -3.412 19654 6920 1 10 . 1 1 18 18 ARG HA H 18 3.858 3.858 3.955 -0.097 19654 6921 1 10 . 1 1 18 18 ARG CA C 18 60.233 60.233 58.933 1.300 19654 6922 1 10 . 1 1 18 18 ARG CB C 18 29.993 29.993 29.481 0.512 19654 6923 1 10 . 1 1 18 18 ARG H H 18 8.044 8.044 7.893 0.151 19654 6924 1 10 . 1 1 19 19 GLU N N 19 120.998 120.998 118.534 2.464 19654 6925 1 10 . 1 1 19 19 GLU HA H 19 4.153 4.153 4.248 -0.095 19654 6926 1 10 . 1 1 19 19 GLU CA C 19 58.857 58.857 58.179 0.678 19654 6927 1 10 . 1 1 19 19 GLU CB C 19 29.661 29.661 28.934 0.727 19654 6928 1 10 . 1 1 19 19 GLU H H 19 8.268 8.268 8.440 -0.172 19654 6929 1 10 . 1 1 20 20 GLN N N 20 119.903 119.903 119.909 -0.006 19654 6930 1 10 . 1 1 20 20 GLN HA H 20 3.715 3.715 3.998 -0.283 19654 6931 1 10 . 1 1 20 20 GLN CA C 20 58.008 58.008 58.010 -0.002 19654 6932 1 10 . 1 1 20 20 GLN CB C 20 28.666 28.666 27.767 0.899 19654 6933 1 10 . 1 1 20 20 GLN H H 20 8.193 8.193 8.484 -0.291 19654 6934 1 10 . 1 1 21 21 ALA N N 21 117.771 117.771 121.131 -3.360 19654 6935 1 10 . 1 1 21 21 ALA HA H 21 3.985 3.985 4.096 -0.111 19654 6936 1 10 . 1 1 21 21 ALA CA C 21 54.397 54.397 54.818 -0.421 19654 6937 1 10 . 1 1 21 21 ALA CB C 21 20.022 20.022 18.576 1.446 19654 6938 1 10 . 1 1 21 21 ALA H H 21 7.883 7.883 8.007 -0.124 19654 6939 1 10 . 1 1 22 22 THR N N 22 103.721 103.721 107.375 -3.654 19654 6940 1 10 . 1 1 22 22 THR HA H 22 4.279 4.279 4.164 0.115 19654 6941 1 10 . 1 1 22 22 THR CA C 22 62.357 62.357 62.736 -0.379 19654 6942 1 10 . 1 1 22 22 THR CB C 22 71.071 71.071 69.911 1.160 19654 6943 1 10 . 1 1 22 22 THR H H 22 8.024 8.024 7.783 0.241 19654 6944 1 10 . 1 1 23 23 GLY N N 23 111.610 111.610 111.289 0.321 19654 6945 1 10 . 1 1 23 23 GLY CA C 23 45.574 45.574 45.280 0.294 19654 6946 1 10 . 1 1 23 23 GLY H H 23 8.155 8.155 7.641 0.514 19654 6947 1 10 . 1 1 24 24 ALA N N 24 123.004 123.004 121.749 1.255 19654 6948 1 10 . 1 1 24 24 ALA HA H 24 4.526 4.526 4.871 -0.345 19654 6949 1 10 . 1 1 24 24 ALA CA C 24 50.763 50.763 51.417 -0.654 19654 6950 1 10 . 1 1 24 24 ALA CB C 24 20.186 20.186 21.451 -1.265 19654 6951 1 10 . 1 1 24 24 ALA H H 24 7.763 7.763 8.279 -0.516 19654 6952 1 10 . 1 1 25 25 LYS N N 25 121.392 121.392 119.543 1.849 19654 6953 1 10 . 1 1 25 25 LYS HA H 25 4.181 4.181 4.540 -0.359 19654 6954 1 10 . 1 1 25 25 LYS CA C 25 55.729 55.729 55.249 0.480 19654 6955 1 10 . 1 1 25 25 LYS CB C 25 33.175 33.175 34.021 -0.846 19654 6956 1 10 . 1 1 25 25 LYS H H 25 8.349 8.349 8.247 0.102 19654 6957 1 10 . 1 1 26 26 ASP N N 26 124.433 124.433 124.215 0.218 19654 6958 1 10 . 1 1 26 26 ASP HA H 26 4.618 4.618 4.544 0.074 19654 6959 1 10 . 1 1 26 26 ASP CA C 26 53.735 53.735 53.446 0.289 19654 6960 1 10 . 1 1 26 26 ASP CB C 26 41.402 41.402 41.967 -0.565 19654 6961 1 10 . 1 1 26 26 ASP H H 26 8.803 8.803 8.452 0.351 19654 6962 1 10 . 1 1 27 27 THR N N 27 116.332 116.332 112.658 3.674 19654 6963 1 10 . 1 1 27 27 THR HA H 27 4.249 4.249 4.381 -0.132 19654 6964 1 10 . 1 1 27 27 THR CA C 27 61.268 61.268 61.102 0.166 19654 6965 1 10 . 1 1 27 27 THR CB C 27 68.993 68.993 68.902 0.091 19654 6966 1 10 . 1 1 27 27 THR H H 27 8.363 8.363 8.180 0.183 19654 6967 1 10 . 1 1 28 28 LYS N N 28 125.551 125.551 124.037 1.514 19654 6968 1 10 . 1 1 28 28 LYS HA H 28 4.437 4.437 4.532 -0.095 19654 6969 1 10 . 1 1 28 28 LYS CA C 28 55.188 55.188 54.920 0.268 19654 6970 1 10 . 1 1 28 28 LYS CB C 28 31.409 31.409 32.089 -0.680 19654 6971 1 10 . 1 1 28 28 LYS H H 28 8.346 8.346 8.005 0.341 19654 6972 1 10 . 1 1 29 29 PRO HA H 29 4.392 4.392 4.345 0.047 19654 6973 1 10 . 1 1 29 29 PRO CA C 29 63.164 63.164 63.249 -0.085 19654 6974 1 10 . 1 1 29 29 PRO CB C 29 31.904 31.904 32.003 -0.099 19654 6975 1 10 . 1 1 30 30 MET N N 30 121.136 121.136 123.667 -2.531 19654 6976 1 10 . 1 1 30 30 MET HA H 30 4.381 4.381 4.338 0.043 19654 6977 1 10 . 1 1 30 30 MET CA C 30 55.229 55.229 55.025 0.204 19654 6978 1 10 . 1 1 30 30 MET CB C 30 33.819 33.819 32.957 0.862 19654 6979 1 10 . 1 1 30 30 MET H H 30 8.585 8.585 8.379 0.206 19654 6980 1 10 . 1 1 31 31 GLY N N 31 109.849 109.849 110.811 -0.962 19654 6981 1 10 . 1 1 31 31 GLY CA C 31 44.983 44.983 44.644 0.339 19654 6982 1 10 . 1 1 31 31 GLY H H 31 8.930 8.930 8.437 0.493 19654 6983 1 10 . 1 1 32 32 ARG N N 32 121.001 121.001 120.531 0.470 19654 6984 1 10 . 1 1 32 32 ARG HA H 32 4.239 4.239 4.091 0.148 19654 6985 1 10 . 1 1 32 32 ARG CA C 32 56.755 56.755 58.695 -1.940 19654 6986 1 10 . 1 1 32 32 ARG CB C 32 30.110 30.110 30.244 -0.134 19654 6987 1 10 . 1 1 32 32 ARG H H 32 8.447 8.447 8.692 -0.245 19654 6988 1 10 . 1 1 33 33 SER N N 33 119.991 119.991 111.729 8.262 19654 6989 1 10 . 1 1 33 33 SER HA H 33 4.386 4.386 4.445 -0.059 19654 6990 1 10 . 1 1 33 33 SER CA C 33 58.502 58.502 58.394 0.108 19654 6991 1 10 . 1 1 33 33 SER CB C 33 62.609 62.609 63.617 -1.008 19654 6992 1 10 . 1 1 33 33 SER H H 33 8.667 8.667 8.042 0.625 19654 6993 1 10 . 1 1 34 34 GLY N N 34 108.582 108.582 110.925 -2.343 19654 6994 1 10 . 1 1 34 34 GLY CA C 34 46.637 46.637 46.348 0.289 19654 6995 1 10 . 1 1 34 34 GLY H H 34 8.216 8.216 8.088 0.128 19654 6996 1 10 . 1 1 35 35 ALA N N 35 123.445 123.445 127.327 -3.882 19654 6997 1 10 . 1 1 35 35 ALA HA H 35 4.193 4.193 3.875 0.318 19654 6998 1 10 . 1 1 35 35 ALA CA C 35 54.770 54.770 55.023 -0.253 19654 6999 1 10 . 1 1 35 35 ALA CB C 35 18.437 18.437 18.593 -0.156 19654 7000 1 10 . 1 1 35 35 ALA H H 35 8.506 8.506 8.480 0.026 19654 7001 1 10 . 1 1 36 36 THR N N 36 115.716 115.716 114.730 0.986 19654 7002 1 10 . 1 1 36 36 THR HA H 36 3.919 3.919 3.855 0.064 19654 7003 1 10 . 1 1 36 36 THR CA C 36 67.249 67.249 67.123 0.126 19654 7004 1 10 . 1 1 36 36 THR CB C 36 68.225 68.225 68.405 -0.180 19654 7005 1 10 . 1 1 36 36 THR H H 36 8.262 8.262 7.701 0.561 19654 7006 1 10 . 1 1 37 37 SER N N 37 117.911 117.911 117.098 0.813 19654 7007 1 10 . 1 1 37 37 SER HA H 37 3.869 3.869 3.957 -0.088 19654 7008 1 10 . 1 1 37 37 SER CA C 37 62.333 62.333 60.819 1.514 19654 7009 1 10 . 1 1 37 37 SER CB C 37 62.333 62.333 62.986 -0.653 19654 7010 1 10 . 1 1 37 37 SER H H 37 8.389 8.389 7.708 0.681 19654 7011 1 10 . 1 1 38 38 ARG N N 38 120.924 120.924 121.839 -0.915 19654 7012 1 10 . 1 1 38 38 ARG HA H 38 3.901 3.901 4.027 -0.126 19654 7013 1 10 . 1 1 38 38 ARG CA C 38 59.923 59.923 58.360 1.563 19654 7014 1 10 . 1 1 38 38 ARG CB C 38 29.759 29.759 29.669 0.090 19654 7015 1 10 . 1 1 38 38 ARG H H 38 8.278 8.278 7.665 0.613 19654 7016 1 10 . 1 1 39 39 LYS N N 39 119.172 119.172 118.655 0.517 19654 7017 1 10 . 1 1 39 39 LYS HA H 39 4.151 4.151 4.027 0.124 19654 7018 1 10 . 1 1 39 39 LYS CA C 39 59.086 59.086 59.331 -0.245 19654 7019 1 10 . 1 1 39 39 LYS CB C 39 32.807 32.807 31.910 0.897 19654 7020 1 10 . 1 1 39 39 LYS H H 39 7.930 7.930 8.392 -0.462 19654 7021 1 10 . 1 1 40 40 ALA N N 40 125.586 125.586 123.259 2.327 19654 7022 1 10 . 1 1 40 40 ALA HA H 40 4.175 4.175 4.183 -0.008 19654 7023 1 10 . 1 1 40 40 ALA CA C 40 55.633 55.633 54.933 0.700 19654 7024 1 10 . 1 1 40 40 ALA CB C 40 18.675 18.675 18.239 0.436 19654 7025 1 10 . 1 1 40 40 ALA H H 40 9.192 9.192 7.620 1.572 19654 7026 1 10 . 1 1 41 41 LEU N N 41 120.080 120.080 120.265 -0.185 19654 7027 1 10 . 1 1 41 41 LEU HA H 41 3.930 3.930 3.834 0.096 19654 7028 1 10 . 1 1 41 41 LEU CA C 41 58.169 58.169 58.062 0.107 19654 7029 1 10 . 1 1 41 41 LEU CB C 41 41.683 41.683 41.766 -0.083 19654 7030 1 10 . 1 1 41 41 LEU H H 41 8.209 8.209 7.828 0.381 19654 7031 1 10 . 1 1 42 42 GLU N N 42 117.875 117.875 116.323 1.552 19654 7032 1 10 . 1 1 42 42 GLU HA H 42 3.977 3.977 4.051 -0.074 19654 7033 1 10 . 1 1 42 42 GLU CA C 42 59.335 59.335 59.147 0.188 19654 7034 1 10 . 1 1 42 42 GLU CB C 42 29.176 29.176 29.018 0.158 19654 7035 1 10 . 1 1 42 42 GLU H H 42 8.197 8.197 8.360 -0.163 19654 7036 1 10 . 1 1 43 43 THR N N 43 116.912 116.912 118.095 -1.183 19654 7037 1 10 . 1 1 43 43 THR HA H 43 3.793 3.793 4.052 -0.259 19654 7038 1 10 . 1 1 43 43 THR CA C 43 67.517 67.517 66.650 0.867 19654 7039 1 10 . 1 1 43 43 THR CB C 43 68.089 68.089 68.635 -0.546 19654 7040 1 10 . 1 1 43 43 THR H H 43 8.183 8.183 7.992 0.191 19654 7041 1 10 . 1 1 44 44 LEU N N 44 123.099 123.099 121.233 1.866 19654 7042 1 10 . 1 1 44 44 LEU HA H 44 3.699 3.699 3.798 -0.099 19654 7043 1 10 . 1 1 44 44 LEU CA C 44 58.261 58.261 57.956 0.305 19654 7044 1 10 . 1 1 44 44 LEU CB C 44 40.988 40.988 41.048 -0.060 19654 7045 1 10 . 1 1 44 44 LEU H H 44 8.509 8.509 8.316 0.193 19654 7046 1 10 . 1 1 45 45 ARG N N 45 116.885 116.885 117.471 -0.586 19654 7047 1 10 . 1 1 45 45 ARG HA H 45 4.125 4.125 4.329 -0.204 19654 7048 1 10 . 1 1 45 45 ARG CA C 45 59.617 59.617 59.502 0.115 19654 7049 1 10 . 1 1 45 45 ARG CB C 45 30.423 30.423 29.982 0.441 19654 7050 1 10 . 1 1 45 45 ARG H H 45 8.398 8.398 7.598 0.800 19654 7051 1 10 . 1 1 46 46 ARG N N 46 117.297 117.297 119.988 -2.691 19654 7052 1 10 . 1 1 46 46 ARG HA H 46 4.229 4.229 4.102 0.127 19654 7053 1 10 . 1 1 46 46 ARG CA C 46 58.427 58.427 59.260 -0.833 19654 7054 1 10 . 1 1 46 46 ARG CB C 46 30.408 30.408 30.401 0.007 19654 7055 1 10 . 1 1 46 46 ARG H H 46 7.421 7.421 7.996 -0.575 19654 7056 1 10 . 1 1 47 47 VAL N N 47 114.304 114.304 113.876 0.428 19654 7057 1 10 . 1 1 47 47 VAL HA H 47 4.094 4.094 4.114 -0.020 19654 7058 1 10 . 1 1 47 47 VAL CA C 47 63.242 63.242 64.844 -1.602 19654 7059 1 10 . 1 1 47 47 VAL CB C 47 32.378 32.378 31.311 1.067 19654 7060 1 10 . 1 1 47 47 VAL H H 47 8.515 8.515 8.037 0.478 19654 7061 1 10 . 1 1 48 48 GLY N N 48 110.132 110.132 108.785 1.347 19654 7062 1 10 . 1 1 48 48 GLY CA C 48 46.588 46.588 47.157 -0.569 19654 7063 1 10 . 1 1 48 48 GLY H H 48 8.890 8.890 8.160 0.730 19654 7064 1 10 . 1 1 49 49 ASP N N 49 121.292 121.292 122.655 -1.363 19654 7065 1 10 . 1 1 49 49 ASP HA H 49 4.456 4.456 4.426 0.030 19654 7066 1 10 . 1 1 49 49 ASP CA C 49 57.787 57.787 58.218 -0.431 19654 7067 1 10 . 1 1 49 49 ASP CB C 49 40.912 40.912 40.709 0.203 19654 7068 1 10 . 1 1 49 49 ASP H H 49 7.392 7.392 8.014 -0.622 19654 7069 1 10 . 1 1 50 50 GLY N N 50 106.682 106.682 107.643 -0.961 19654 7070 1 10 . 1 1 50 50 GLY CA C 50 46.932 46.932 47.294 -0.362 19654 7071 1 10 . 1 1 50 50 GLY H H 50 8.132 8.132 8.292 -0.160 19654 7072 1 10 . 1 1 51 51 VAL N N 51 121.747 121.747 123.043 -1.296 19654 7073 1 10 . 1 1 51 51 VAL HA H 51 3.944 3.944 3.504 0.440 19654 7074 1 10 . 1 1 51 51 VAL CA C 51 66.355 66.355 66.347 0.008 19654 7075 1 10 . 1 1 51 51 VAL CB C 51 31.594 31.594 31.351 0.243 19654 7076 1 10 . 1 1 51 51 VAL H H 51 7.476 7.476 7.628 -0.152 19654 7077 1 10 . 1 1 52 52 GLN N N 52 118.494 118.494 118.810 -0.316 19654 7078 1 10 . 1 1 52 52 GLN HA H 52 3.913 3.913 3.961 -0.048 19654 7079 1 10 . 1 1 52 52 GLN CA C 52 60.391 60.391 59.323 1.068 19654 7080 1 10 . 1 1 52 52 GLN CB C 52 29.682 29.682 28.657 1.025 19654 7081 1 10 . 1 1 52 52 GLN H H 52 8.439 8.439 8.352 0.087 19654 7082 1 10 . 1 1 53 53 ARG N N 53 116.807 116.807 119.440 -2.633 19654 7083 1 10 . 1 1 53 53 ARG HA H 53 4.163 4.163 4.062 0.101 19654 7084 1 10 . 1 1 53 53 ARG CA C 53 59.086 59.086 58.624 0.462 19654 7085 1 10 . 1 1 53 53 ARG CB C 53 30.009 30.009 29.600 0.409 19654 7086 1 10 . 1 1 53 53 ARG H H 53 7.873 7.873 8.267 -0.394 19654 7087 1 10 . 1 1 54 54 ASN N N 54 116.356 116.356 117.309 -0.953 19654 7088 1 10 . 1 1 54 54 ASN HA H 54 4.448 4.448 4.518 -0.070 19654 7089 1 10 . 1 1 54 54 ASN CA C 54 54.694 54.694 55.703 -1.009 19654 7090 1 10 . 1 1 54 54 ASN CB C 54 38.302 38.302 38.419 -0.117 19654 7091 1 10 . 1 1 54 54 ASN H H 54 8.123 8.123 8.421 -0.298 19654 7092 1 10 . 1 1 55 55 HIS N N 55 114.809 114.809 118.586 -3.777 19654 7093 1 10 . 1 1 55 55 HIS HA H 55 4.504 4.504 4.030 0.474 19654 7094 1 10 . 1 1 55 55 HIS CA C 55 55.949 55.949 57.183 -1.234 19654 7095 1 10 . 1 1 55 55 HIS CB C 55 28.341 28.341 29.522 -1.181 19654 7096 1 10 . 1 1 55 55 HIS H H 55 7.558 7.558 8.439 -0.881 19654 7097 1 10 . 1 1 56 56 GLU N N 56 121.943 121.943 120.356 1.587 19654 7098 1 10 . 1 1 56 56 GLU HA H 56 3.640 3.640 3.405 0.235 19654 7099 1 10 . 1 1 56 56 GLU CA C 56 61.360 61.360 59.980 1.380 19654 7100 1 10 . 1 1 56 56 GLU CB C 56 30.006 30.006 29.277 0.729 19654 7101 1 10 . 1 1 56 56 GLU H H 56 7.071 7.071 8.230 -1.159 19654 7102 1 10 . 1 1 57 57 THR N N 57 112.827 112.827 113.318 -0.491 19654 7103 1 10 . 1 1 57 57 THR HA H 57 3.984 3.984 4.044 -0.060 19654 7104 1 10 . 1 1 57 57 THR CA C 57 66.247 66.247 65.379 0.868 19654 7105 1 10 . 1 1 57 57 THR CB C 57 68.002 68.002 68.571 -0.569 19654 7106 1 10 . 1 1 57 57 THR H H 57 8.324 8.324 8.177 0.147 19654 7107 1 10 . 1 1 58 58 ALA N N 58 126.520 126.520 123.886 2.634 19654 7108 1 10 . 1 1 58 58 ALA HA H 58 4.147 4.147 4.095 0.052 19654 7109 1 10 . 1 1 58 58 ALA CA C 58 54.707 54.707 54.519 0.188 19654 7110 1 10 . 1 1 58 58 ALA CB C 58 17.734 17.734 18.045 -0.311 19654 7111 1 10 . 1 1 58 58 ALA H H 58 7.910 7.910 7.214 0.696 19654 7112 1 10 . 1 1 59 59 PHE N N 59 119.326 119.326 117.996 1.330 19654 7113 1 10 . 1 1 59 59 PHE HA H 59 4.518 4.518 4.112 0.406 19654 7114 1 10 . 1 1 59 59 PHE CA C 59 56.946 56.946 58.819 -1.873 19654 7115 1 10 . 1 1 59 59 PHE CB C 59 34.583 34.583 37.530 -2.947 19654 7116 1 10 . 1 1 59 59 PHE H H 59 9.017 9.017 8.182 0.835 19654 7117 1 10 . 1 1 60 60 GLN N N 60 119.670 119.670 118.440 1.230 19654 7118 1 10 . 1 1 60 60 GLN HA H 60 4.232 4.232 4.162 0.070 19654 7119 1 10 . 1 1 60 60 GLN CA C 60 59.359 59.359 59.638 -0.279 19654 7120 1 10 . 1 1 60 60 GLN CB C 60 28.009 28.009 27.857 0.152 19654 7121 1 10 . 1 1 60 60 GLN H H 60 8.678 8.678 8.730 -0.052 19654 7122 1 10 . 1 1 61 61 GLY N N 61 106.140 106.140 105.862 0.278 19654 7123 1 10 . 1 1 61 61 GLY CA C 61 47.085 47.085 47.038 0.047 19654 7124 1 10 . 1 1 61 61 GLY H H 61 7.975 7.975 8.013 -0.038 19654 7125 1 10 . 1 1 62 62 MET N N 62 120.973 120.973 120.610 0.363 19654 7126 1 10 . 1 1 62 62 MET HA H 62 4.080 4.080 4.269 -0.189 19654 7127 1 10 . 1 1 62 62 MET CA C 62 58.752 58.752 58.421 0.331 19654 7128 1 10 . 1 1 62 62 MET CB C 62 33.824 33.824 32.746 1.078 19654 7129 1 10 . 1 1 62 62 MET H H 62 8.007 8.007 7.579 0.428 19654 7130 1 10 . 1 1 63 63 LEU N N 63 119.043 119.043 119.778 -0.735 19654 7131 1 10 . 1 1 63 63 LEU HA H 63 4.139 4.139 3.989 0.150 19654 7132 1 10 . 1 1 63 63 LEU CA C 63 57.645 57.645 58.408 -0.763 19654 7133 1 10 . 1 1 63 63 LEU CB C 63 42.173 42.173 40.879 1.294 19654 7134 1 10 . 1 1 63 63 LEU H H 63 8.394 8.394 8.838 -0.444 19654 7135 1 10 . 1 1 64 64 ARG N N 64 117.294 117.294 119.129 -1.835 19654 7136 1 10 . 1 1 64 64 ARG HA H 64 4.090 4.090 4.032 0.058 19654 7137 1 10 . 1 1 64 64 ARG CA C 64 58.551 58.551 59.127 -0.576 19654 7138 1 10 . 1 1 64 64 ARG CB C 64 29.772 29.772 30.103 -0.331 19654 7139 1 10 . 1 1 64 64 ARG H H 64 7.912 7.912 8.116 -0.204 19654 7140 1 10 . 1 1 65 65 LYS N N 65 116.840 116.840 117.475 -0.635 19654 7141 1 10 . 1 1 65 65 LYS HA H 65 4.165 4.165 4.329 -0.164 19654 7142 1 10 . 1 1 65 65 LYS CA C 65 57.175 57.175 57.595 -0.420 19654 7143 1 10 . 1 1 65 65 LYS CB C 65 32.299 32.299 32.505 -0.206 19654 7144 1 10 . 1 1 65 65 LYS H H 65 7.506 7.506 7.757 -0.251 19654 7145 1 10 . 1 1 66 66 LEU N N 66 119.257 119.257 120.004 -0.747 19654 7146 1 10 . 1 1 66 66 LEU HA H 66 4.232 4.232 4.383 -0.151 19654 7147 1 10 . 1 1 66 66 LEU CA C 66 55.442 55.442 55.937 -0.495 19654 7148 1 10 . 1 1 66 66 LEU CB C 66 43.042 43.042 42.616 0.426 19654 7149 1 10 . 1 1 66 66 LEU H H 66 7.736 7.736 7.826 -0.090 19654 7150 1 10 . 1 1 67 67 ASP N N 67 119.743 119.743 119.314 0.429 19654 7151 1 10 . 1 1 67 67 ASP HA H 67 4.457 4.457 4.302 0.155 19654 7152 1 10 . 1 1 67 67 ASP CA C 67 53.850 53.850 54.696 -0.846 19654 7153 1 10 . 1 1 67 67 ASP CB C 67 40.195 40.195 40.470 -0.275 19654 7154 1 10 . 1 1 67 67 ASP H H 67 8.068 8.068 7.915 0.153 19654 7155 1 10 . 1 1 68 68 ILE N N 68 120.055 120.055 122.159 -2.104 19654 7156 1 10 . 1 1 68 68 ILE HA H 68 3.870 3.870 3.934 -0.064 19654 7157 1 10 . 1 1 68 68 ILE CA C 68 61.524 61.524 61.116 0.408 19654 7158 1 10 . 1 1 68 68 ILE CB C 68 37.986 37.986 36.587 1.399 19654 7159 1 10 . 1 1 68 68 ILE H H 68 8.275 8.275 8.632 -0.357 19654 7160 1 10 . 1 1 69 69 LYS N N 69 126.186 126.186 126.560 -0.374 19654 7161 1 10 . 1 1 69 69 LYS HA H 69 4.481 4.481 4.746 -0.265 19654 7162 1 10 . 1 1 69 69 LYS CA C 69 56.304 56.304 55.622 0.682 19654 7163 1 10 . 1 1 69 69 LYS CB C 69 34.136 34.136 33.556 0.580 19654 7164 1 10 . 1 1 69 69 LYS H H 69 9.722 9.722 8.633 1.089 19654 7165 1 10 . 1 1 70 70 ASN N N 70 115.056 115.056 115.877 -0.821 19654 7166 1 10 . 1 1 70 70 ASN HA H 70 4.700 4.700 4.797 -0.097 19654 7167 1 10 . 1 1 70 70 ASN CA C 70 51.977 51.977 52.075 -0.098 19654 7168 1 10 . 1 1 70 70 ASN CB C 70 39.474 39.474 40.036 -0.562 19654 7169 1 10 . 1 1 70 70 ASN H H 70 7.959 7.959 8.098 -0.139 19654 7170 1 10 . 1 1 71 71 GLU N N 71 118.214 118.214 119.366 -1.152 19654 7171 1 10 . 1 1 71 71 GLU HA H 71 3.967 3.967 3.908 0.059 19654 7172 1 10 . 1 1 71 71 GLU CA C 71 59.354 59.354 59.960 -0.606 19654 7173 1 10 . 1 1 71 71 GLU CB C 71 29.520 29.520 29.611 -0.091 19654 7174 1 10 . 1 1 71 71 GLU H H 71 8.831 8.831 8.839 -0.008 19654 7175 1 10 . 1 1 72 72 ASP N N 72 120.319 120.319 118.808 1.511 19654 7176 1 10 . 1 1 72 72 ASP HA H 72 4.422 4.422 4.356 0.066 19654 7177 1 10 . 1 1 72 72 ASP CA C 72 57.036 57.036 57.508 -0.472 19654 7178 1 10 . 1 1 72 72 ASP CB C 72 39.945 39.945 40.692 -0.747 19654 7179 1 10 . 1 1 72 72 ASP H H 72 8.167 8.167 8.714 -0.547 19654 7180 1 10 . 1 1 73 73 ASP N N 73 119.793 119.793 119.425 0.368 19654 7181 1 10 . 1 1 73 73 ASP HA H 73 4.521 4.521 4.424 0.097 19654 7182 1 10 . 1 1 73 73 ASP CA C 73 56.337 56.337 57.384 -1.047 19654 7183 1 10 . 1 1 73 73 ASP CB C 73 41.927 41.927 40.655 1.272 19654 7184 1 10 . 1 1 73 73 ASP H H 73 8.153 8.153 7.724 0.429 19654 7185 1 10 . 1 1 74 74 VAL N N 74 117.572 117.572 120.535 -2.963 19654 7186 1 10 . 1 1 74 74 VAL HA H 74 3.714 3.714 3.609 0.105 19654 7187 1 10 . 1 1 74 74 VAL CA C 74 65.498 65.498 66.636 -1.138 19654 7188 1 10 . 1 1 74 74 VAL CB C 74 31.077 31.077 31.553 -0.476 19654 7189 1 10 . 1 1 74 74 VAL H H 74 7.629 7.629 7.451 0.178 19654 7190 1 10 . 1 1 75 75 LYS N N 75 119.403 119.403 119.406 -0.003 19654 7191 1 10 . 1 1 75 75 LYS HA H 75 4.154 4.154 4.029 0.125 19654 7192 1 10 . 1 1 75 75 LYS CA C 75 59.034 59.034 59.544 -0.510 19654 7193 1 10 . 1 1 75 75 LYS CB C 75 31.909 31.909 32.063 -0.154 19654 7194 1 10 . 1 1 75 75 LYS H H 75 7.961 7.961 8.110 -0.149 19654 7195 1 10 . 1 1 76 76 SER N N 76 114.355 114.355 116.393 -2.038 19654 7196 1 10 . 1 1 76 76 SER HA H 76 4.453 4.453 4.197 0.256 19654 7197 1 10 . 1 1 76 76 SER CA C 76 60.061 60.061 61.691 -1.630 19654 7198 1 10 . 1 1 76 76 SER CB C 76 63.023 63.023 63.156 -0.133 19654 7199 1 10 . 1 1 76 76 SER H H 76 7.919 7.919 8.157 -0.238 19654 7200 1 10 . 1 1 77 77 LEU N N 77 121.954 121.954 122.092 -0.138 19654 7201 1 10 . 1 1 77 77 LEU HA H 77 4.230 4.230 4.039 0.191 19654 7202 1 10 . 1 1 77 77 LEU CA C 77 56.764 56.764 57.817 -1.053 19654 7203 1 10 . 1 1 77 77 LEU CB C 77 41.695 41.695 41.596 0.099 19654 7204 1 10 . 1 1 77 77 LEU H H 77 7.883 7.883 8.242 -0.359 19654 7205 1 10 . 1 1 78 78 SER N N 78 115.268 115.268 113.828 1.440 19654 7206 1 10 . 1 1 78 78 SER HA H 78 3.962 3.962 4.066 -0.104 19654 7207 1 10 . 1 1 78 78 SER CA C 78 62.337 62.337 62.166 0.171 19654 7208 1 10 . 1 1 78 78 SER CB C 78 62.218 62.218 62.998 -0.780 19654 7209 1 10 . 1 1 78 78 SER H H 78 8.185 8.185 8.069 0.116 19654 7210 1 10 . 1 1 79 79 ARG N N 79 119.021 119.021 119.844 -0.823 19654 7211 1 10 . 1 1 79 79 ARG HA H 79 4.090 4.090 4.024 0.066 19654 7212 1 10 . 1 1 79 79 ARG CA C 79 58.849 58.849 58.545 0.304 19654 7213 1 10 . 1 1 79 79 ARG CB C 79 29.930 29.930 29.571 0.359 19654 7214 1 10 . 1 1 79 79 ARG H H 79 7.684 7.684 7.433 0.251 19654 7215 1 10 . 1 1 80 80 VAL N N 80 116.979 116.979 120.978 -3.999 19654 7216 1 10 . 1 1 80 80 VAL HA H 80 3.953 3.953 3.803 0.150 19654 7217 1 10 . 1 1 80 80 VAL CA C 80 64.228 64.228 66.375 -2.147 19654 7218 1 10 . 1 1 80 80 VAL CB C 80 32.210 32.210 31.680 0.530 19654 7219 1 10 . 1 1 80 80 VAL H H 80 7.479 7.479 7.408 0.071 19654 7220 1 10 . 1 1 81 81 MET N N 81 117.822 117.822 118.331 -0.509 19654 7221 1 10 . 1 1 81 81 MET HA H 81 4.053 4.053 4.081 -0.028 19654 7222 1 10 . 1 1 81 81 MET CA C 81 58.322 58.322 57.683 0.639 19654 7223 1 10 . 1 1 81 81 MET CB C 81 32.555 32.555 31.467 1.088 19654 7224 1 10 . 1 1 81 81 MET H H 81 8.104 8.104 8.312 -0.208 19654 7225 1 10 . 1 1 82 82 ILE N N 82 116.348 116.348 117.858 -1.510 19654 7226 1 10 . 1 1 82 82 ILE HA H 82 3.815 3.815 3.762 0.053 19654 7227 1 10 . 1 1 82 82 ILE CA C 82 63.653 63.653 65.286 -1.633 19654 7228 1 10 . 1 1 82 82 ILE CB C 82 37.879 37.879 37.210 0.669 19654 7229 1 10 . 1 1 82 82 ILE H H 82 7.789 7.789 7.865 -0.076 19654 7230 1 10 . 1 1 83 83 HIS N N 83 118.994 118.994 118.720 0.274 19654 7231 1 10 . 1 1 83 83 HIS HA H 83 4.409 4.409 4.564 -0.155 19654 7232 1 10 . 1 1 83 83 HIS CA C 83 58.245 58.245 58.500 -0.255 19654 7233 1 10 . 1 1 83 83 HIS CB C 83 29.735 29.735 29.204 0.531 19654 7234 1 10 . 1 1 83 83 HIS H H 83 7.543 7.543 7.230 0.313 19654 7235 1 10 . 1 1 84 84 VAL N N 84 117.112 117.112 120.152 -3.040 19654 7236 1 10 . 1 1 84 84 VAL HA H 84 3.631 3.631 3.606 0.025 19654 7237 1 10 . 1 1 84 84 VAL CA C 84 64.628 64.628 65.960 -1.333 19654 7238 1 10 . 1 1 84 84 VAL CB C 84 31.904 31.904 31.248 0.656 19654 7239 1 10 . 1 1 84 84 VAL H H 84 7.713 7.713 7.898 -0.185 19654 7240 1 10 . 1 1 85 85 PHE N N 85 115.531 115.531 115.857 -0.326 19654 7241 1 10 . 1 1 85 85 PHE HA H 85 4.733 4.733 4.818 -0.085 19654 7242 1 10 . 1 1 85 85 PHE CA C 85 57.326 57.326 56.590 0.736 19654 7243 1 10 . 1 1 85 85 PHE CB C 85 39.507 39.507 38.273 1.234 19654 7244 1 10 . 1 1 85 85 PHE H H 85 7.743 7.743 7.588 0.155 19654 7245 1 10 . 1 1 86 86 SER N N 86 114.812 114.812 116.003 -1.191 19654 7246 1 10 . 1 1 86 86 SER HA H 86 4.275 4.275 4.375 -0.100 19654 7247 1 10 . 1 1 86 86 SER CA C 86 59.832 59.832 59.855 -0.023 19654 7248 1 10 . 1 1 86 86 SER CB C 86 63.482 63.482 62.954 0.528 19654 7249 1 10 . 1 1 86 86 SER H H 86 7.634 7.634 7.845 -0.211 19654 7250 1 10 . 1 1 87 87 ASP N N 87 120.986 120.986 120.900 0.086 19654 7251 1 10 . 1 1 87 87 ASP HA H 87 4.491 4.491 4.517 -0.026 19654 7252 1 10 . 1 1 87 87 ASP CA C 87 54.032 54.032 55.273 -1.241 19654 7253 1 10 . 1 1 87 87 ASP CB C 87 40.411 40.411 40.856 -0.445 19654 7254 1 10 . 1 1 87 87 ASP H H 87 8.043 8.043 7.950 0.093 19654 7255 1 10 . 1 1 88 88 GLY N N 88 108.171 108.171 107.675 0.496 19654 7256 1 10 . 1 1 88 88 GLY CA C 88 44.981 44.981 45.279 -0.298 19654 7257 1 10 . 1 1 88 88 GLY H H 88 8.163 8.163 7.926 0.237 19654 7258 1 10 . 1 1 89 89 VAL N N 89 121.716 121.716 118.035 3.681 19654 7259 1 10 . 1 1 89 89 VAL HA H 89 3.879 3.879 4.298 -0.419 19654 7260 1 10 . 1 1 89 89 VAL CA C 89 62.471 62.471 61.193 1.278 19654 7261 1 10 . 1 1 89 89 VAL CB C 89 32.418 32.418 32.581 -0.163 19654 7262 1 10 . 1 1 89 89 VAL H H 89 7.886 7.886 7.457 0.429 19654 7263 1 10 . 1 1 90 90 THR N N 90 121.669 121.669 111.510 10.159 19654 7264 1 10 . 1 1 90 90 THR HA H 90 3.657 3.657 3.946 -0.289 19654 7265 1 10 . 1 1 90 90 THR CA C 90 62.473 62.473 61.827 0.646 19654 7266 1 10 . 1 1 90 90 THR CB C 90 68.528 68.528 68.859 -0.331 19654 7267 1 10 . 1 1 90 90 THR H H 90 8.201 8.201 8.132 0.069 19654 7268 1 10 . 1 1 91 91 ASN HA H 91 4.162 4.162 4.440 -0.278 19654 7269 1 10 . 1 1 91 91 ASN CA C 91 51.748 51.748 53.017 -1.268 19654 7270 1 10 . 1 1 91 91 ASN CB C 91 39.645 39.645 38.054 1.591 19654 7271 1 10 . 1 1 91 91 ASN H H 91 8.826 8.826 7.973 0.853 19654 7272 1 10 . 1 1 92 92 TRP N N 92 118.437 118.437 125.424 -6.987 19654 7273 1 10 . 1 1 92 92 TRP HA H 92 4.739 4.739 4.406 0.333 19654 7274 1 10 . 1 1 92 92 TRP CA C 92 60.233 60.233 59.168 1.065 19654 7275 1 10 . 1 1 92 92 TRP CB C 92 30.167 30.167 29.052 1.115 19654 7276 1 10 . 1 1 92 92 TRP H H 92 8.942 8.942 8.166 0.776 19654 7277 1 10 . 1 1 93 93 GLY N N 93 108.154 108.154 108.845 -0.691 19654 7278 1 10 . 1 1 93 93 GLY CA C 93 47.544 47.544 46.901 0.643 19654 7279 1 10 . 1 1 93 93 GLY H H 93 8.697 8.697 8.500 0.197 19654 7280 1 10 . 1 1 94 94 ARG N N 94 122.547 122.547 120.797 1.750 19654 7281 1 10 . 1 1 94 94 ARG HA H 94 4.072 4.072 4.248 -0.176 19654 7282 1 10 . 1 1 94 94 ARG CA C 94 58.556 58.556 58.624 -0.068 19654 7283 1 10 . 1 1 94 94 ARG CB C 94 30.201 30.201 30.065 0.136 19654 7284 1 10 . 1 1 94 94 ARG H H 94 8.353 8.353 7.618 0.735 19654 7285 1 10 . 1 1 95 95 ILE N N 95 120.130 120.130 119.804 0.326 19654 7286 1 10 . 1 1 95 95 ILE HA H 95 3.708 3.708 4.140 -0.432 19654 7287 1 10 . 1 1 95 95 ILE CA C 95 65.511 65.511 64.470 1.041 19654 7288 1 10 . 1 1 95 95 ILE CB C 95 37.486 37.486 36.960 0.526 19654 7289 1 10 . 1 1 95 95 ILE H H 95 7.545 7.545 8.264 -0.719 19654 7290 1 10 . 1 1 96 96 VAL N N 96 119.403 119.403 119.930 -0.527 19654 7291 1 10 . 1 1 96 96 VAL HA H 96 3.723 3.723 3.814 -0.091 19654 7292 1 10 . 1 1 96 96 VAL CA C 96 67.249 67.249 67.138 0.111 19654 7293 1 10 . 1 1 96 96 VAL CB C 96 31.001 31.001 31.301 -0.300 19654 7294 1 10 . 1 1 96 96 VAL H H 96 8.990 8.990 7.910 1.080 19654 7295 1 10 . 1 1 97 97 THR N N 97 122.016 122.016 117.776 4.240 19654 7296 1 10 . 1 1 97 97 THR HA H 97 3.784 3.784 4.170 -0.386 19654 7297 1 10 . 1 1 97 97 THR CA C 97 68.159 68.159 67.263 0.896 19654 7298 1 10 . 1 1 97 97 THR CB C 97 67.212 67.212 68.926 -1.714 19654 7299 1 10 . 1 1 97 97 THR H H 97 8.605 8.605 7.653 0.952 19654 7300 1 10 . 1 1 98 98 LEU N N 98 122.476 122.476 123.498 -1.022 19654 7301 1 10 . 1 1 98 98 LEU HA H 98 3.805 3.805 4.138 -0.333 19654 7302 1 10 . 1 1 98 98 LEU CA C 98 58.818 58.818 58.397 0.421 19654 7303 1 10 . 1 1 98 98 LEU CB C 98 41.158 41.158 41.968 -0.810 19654 7304 1 10 . 1 1 98 98 LEU H H 98 7.769 7.769 8.198 -0.429 19654 7305 1 10 . 1 1 99 99 ILE N N 99 117.997 117.997 117.887 0.110 19654 7306 1 10 . 1 1 99 99 ILE HA H 99 3.509 3.509 3.720 -0.211 19654 7307 1 10 . 1 1 99 99 ILE CA C 99 66.261 66.261 65.642 0.619 19654 7308 1 10 . 1 1 99 99 ILE CB C 99 38.350 38.350 37.562 0.788 19654 7309 1 10 . 1 1 99 99 ILE H H 99 8.175 8.175 8.043 0.132 19654 7310 1 10 . 1 1 100 100 SER N N 100 116.934 116.934 117.433 -0.499 19654 7311 1 10 . 1 1 100 100 SER HA H 100 4.447 4.447 4.401 0.046 19654 7312 1 10 . 1 1 100 100 SER CA C 100 63.290 63.290 62.262 1.028 19654 7313 1 10 . 1 1 100 100 SER CB C 100 62.867 62.867 63.093 -0.226 19654 7314 1 10 . 1 1 100 100 SER H H 100 8.989 8.989 8.760 0.229 19654 7315 1 10 . 1 1 101 101 PHE N N 101 124.640 124.640 124.794 -0.154 19654 7316 1 10 . 1 1 101 101 PHE HA H 101 3.420 3.420 3.927 -0.507 19654 7317 1 10 . 1 1 101 101 PHE CA C 101 60.499 60.499 59.876 0.623 19654 7318 1 10 . 1 1 101 101 PHE CB C 101 37.333 37.333 38.232 -0.899 19654 7319 1 10 . 1 1 101 101 PHE H H 101 8.513 8.513 8.166 0.347 19654 7320 1 10 . 1 1 102 102 GLY N N 102 106.116 106.116 106.934 -0.818 19654 7321 1 10 . 1 1 102 102 GLY CA C 102 48.166 48.166 47.012 1.154 19654 7322 1 10 . 1 1 102 102 GLY H H 102 8.111 8.111 8.078 0.033 19654 7323 1 10 . 1 1 103 103 ALA N N 103 124.560 124.560 124.783 -0.223 19654 7324 1 10 . 1 1 103 103 ALA HA H 103 3.780 3.780 4.020 -0.240 19654 7325 1 10 . 1 1 103 103 ALA CA C 103 55.646 55.646 54.511 1.135 19654 7326 1 10 . 1 1 103 103 ALA CB C 103 18.476 18.476 18.442 0.034 19654 7327 1 10 . 1 1 103 103 ALA H H 103 8.437 8.437 8.149 0.288 19654 7328 1 10 . 1 1 104 104 PHE N N 104 120.981 120.981 120.381 0.600 19654 7329 1 10 . 1 1 104 104 PHE HA H 104 3.989 3.989 4.230 -0.241 19654 7330 1 10 . 1 1 104 104 PHE CA C 104 62.258 62.258 61.587 0.671 19654 7331 1 10 . 1 1 104 104 PHE CB C 104 39.949 39.949 39.681 0.268 19654 7332 1 10 . 1 1 104 104 PHE H H 104 8.213 8.213 8.253 -0.040 19654 7333 1 10 . 1 1 105 105 VAL N N 105 120.473 120.473 119.083 1.390 19654 7334 1 10 . 1 1 105 105 VAL HA H 105 3.236 3.236 3.495 -0.259 19654 7335 1 10 . 1 1 105 105 VAL CA C 105 66.348 66.348 66.477 -0.129 19654 7336 1 10 . 1 1 105 105 VAL CB C 105 30.720 30.720 30.934 -0.214 19654 7337 1 10 . 1 1 105 105 VAL H H 105 8.513 8.513 8.248 0.265 19654 7338 1 10 . 1 1 106 106 ALA N N 106 123.948 123.948 122.930 1.018 19654 7339 1 10 . 1 1 106 106 ALA HA H 106 3.660 3.660 3.834 -0.174 19654 7340 1 10 . 1 1 106 106 ALA CA C 106 55.607 55.607 55.453 0.154 19654 7341 1 10 . 1 1 106 106 ALA CB C 106 18.003 18.003 18.078 -0.075 19654 7342 1 10 . 1 1 106 106 ALA H H 106 8.807 8.807 8.156 0.651 19654 7343 1 10 . 1 1 107 107 LYS N N 107 115.836 115.836 118.627 -2.791 19654 7344 1 10 . 1 1 107 107 LYS HA H 107 3.733 3.733 3.858 -0.125 19654 7345 1 10 . 1 1 107 107 LYS CA C 107 60.462 60.462 59.717 0.745 19654 7346 1 10 . 1 1 107 107 LYS CB C 107 31.907 31.907 32.065 -0.158 19654 7347 1 10 . 1 1 107 107 LYS H H 107 7.934 7.934 7.626 0.308 19654 7348 1 10 . 1 1 108 108 HIS N N 108 120.459 120.459 119.156 1.303 19654 7349 1 10 . 1 1 108 108 HIS HA H 108 4.212 4.212 4.258 -0.046 19654 7350 1 10 . 1 1 108 108 HIS CA C 108 59.623 59.623 59.058 0.565 19654 7351 1 10 . 1 1 108 108 HIS CB C 108 29.838 29.838 29.547 0.291 19654 7352 1 10 . 1 1 108 108 HIS H H 108 7.254 7.254 7.347 -0.093 19654 7353 1 10 . 1 1 109 109 LEU N N 109 118.336 118.336 120.105 -1.769 19654 7354 1 10 . 1 1 109 109 LEU HA H 109 3.640 3.640 3.799 -0.159 19654 7355 1 10 . 1 1 109 109 LEU CA C 109 56.945 56.945 57.731 -0.786 19654 7356 1 10 . 1 1 109 109 LEU CB C 109 39.709 39.709 41.628 -1.919 19654 7357 1 10 . 1 1 109 109 LEU H H 109 8.709 8.709 8.177 0.532 19654 7358 1 10 . 1 1 110 110 LYS N N 110 118.036 118.036 119.393 -1.357 19654 7359 1 10 . 1 1 110 110 LYS HA H 110 3.944 3.944 3.906 0.038 19654 7360 1 10 . 1 1 110 110 LYS CA C 110 58.967 58.967 59.708 -0.741 19654 7361 1 10 . 1 1 110 110 LYS CB C 110 32.220 32.220 32.216 0.004 19654 7362 1 10 . 1 1 110 110 LYS H H 110 7.752 7.752 8.234 -0.482 19654 7363 1 10 . 1 1 111 111 THR N N 111 115.985 115.985 116.302 -0.317 19654 7364 1 10 . 1 1 111 111 THR HA H 111 3.990 3.990 3.983 0.007 19654 7365 1 10 . 1 1 111 111 THR CA C 111 65.921 65.921 65.807 0.114 19654 7366 1 10 . 1 1 111 111 THR CB C 111 68.611 68.611 68.901 -0.290 19654 7367 1 10 . 1 1 111 111 THR H H 111 7.832 7.832 7.731 0.101 19654 7368 1 10 . 1 1 112 112 ILE N N 112 112.606 112.606 114.098 -1.492 19654 7369 1 10 . 1 1 112 112 ILE HA H 112 4.454 4.454 4.228 0.226 19654 7370 1 10 . 1 1 112 112 ILE CA C 112 60.922 60.922 61.029 -0.107 19654 7371 1 10 . 1 1 112 112 ILE CB C 112 36.813 36.813 37.241 -0.428 19654 7372 1 10 . 1 1 112 112 ILE H H 112 7.262 7.262 7.458 -0.196 19654 7373 1 10 . 1 1 113 113 ASN N N 113 116.297 116.297 115.762 0.535 19654 7374 1 10 . 1 1 113 113 ASN HA H 113 4.576 4.576 4.363 0.213 19654 7375 1 10 . 1 1 113 113 ASN CA C 113 54.653 54.653 55.288 -0.635 19654 7376 1 10 . 1 1 113 113 ASN CB C 113 36.497 36.497 36.274 0.223 19654 7377 1 10 . 1 1 113 113 ASN H H 113 7.816 7.816 8.154 -0.338 19654 7378 1 10 . 1 1 114 114 GLN N N 114 117.958 117.958 118.897 -0.939 19654 7379 1 10 . 1 1 114 114 GLN HA H 114 4.739 4.739 4.355 0.384 19654 7380 1 10 . 1 1 114 114 GLN CA C 114 54.079 54.079 55.418 -1.339 19654 7381 1 10 . 1 1 114 114 GLN CB C 114 28.840 28.840 26.988 1.852 19654 7382 1 10 . 1 1 114 114 GLN H H 114 8.522 8.522 8.345 0.177 19654 7383 1 10 . 1 1 115 115 GLU N N 115 120.597 120.597 121.001 -0.404 19654 7384 1 10 . 1 1 115 115 GLU HA H 115 3.646 3.646 3.973 -0.327 19654 7385 1 10 . 1 1 115 115 GLU CA C 115 59.569 59.569 59.342 0.227 19654 7386 1 10 . 1 1 115 115 GLU CB C 115 29.061 29.061 29.413 -0.351 19654 7387 1 10 . 1 1 115 115 GLU H H 115 8.881 8.881 7.811 1.070 19654 7388 1 10 . 1 1 116 116 SER N N 116 115.352 115.352 114.776 0.576 19654 7389 1 10 . 1 1 116 116 SER HA H 116 4.250 4.250 4.196 0.054 19654 7390 1 10 . 1 1 116 116 SER CA C 116 60.593 60.593 60.771 -0.178 19654 7391 1 10 . 1 1 116 116 SER CB C 116 62.231 62.231 63.003 -0.772 19654 7392 1 10 . 1 1 116 116 SER H H 116 8.702 8.702 8.554 0.148 19654 7393 1 10 . 1 1 117 117 SER N N 117 116.944 116.944 116.702 0.242 19654 7394 1 10 . 1 1 117 117 SER HA H 117 4.461 4.461 4.341 0.120 19654 7395 1 10 . 1 1 117 117 SER CA C 117 60.219 60.219 60.783 -0.564 19654 7396 1 10 . 1 1 117 117 SER CB C 117 64.116 64.116 63.394 0.722 19654 7397 1 10 . 1 1 117 117 SER H H 117 7.963 7.963 7.760 0.203 19654 7398 1 10 . 1 1 118 118 ILE N N 118 122.505 122.505 121.037 1.468 19654 7399 1 10 . 1 1 118 118 ILE HA H 118 3.419 3.419 3.598 -0.179 19654 7400 1 10 . 1 1 118 118 ILE CA C 118 66.227 66.227 65.716 0.511 19654 7401 1 10 . 1 1 118 118 ILE CB C 118 36.723 36.723 37.583 -0.860 19654 7402 1 10 . 1 1 118 118 ILE H H 118 7.945 7.945 7.689 0.256 19654 7403 1 10 . 1 1 119 119 GLU N N 119 119.604 119.604 119.200 0.404 19654 7404 1 10 . 1 1 119 119 GLU HA H 119 4.244 4.244 4.153 0.091 19654 7405 1 10 . 1 1 119 119 GLU CA C 119 61.540 61.540 61.370 0.170 19654 7406 1 10 . 1 1 119 119 GLU CB C 119 26.092 26.092 27.604 -1.512 19654 7407 1 10 . 1 1 119 119 GLU H H 119 8.244 8.244 8.537 -0.293 19654 7408 1 10 . 1 1 120 120 PRO HA H 120 4.446 4.446 4.455 -0.009 19654 7409 1 10 . 1 1 120 120 PRO CA C 120 65.583 65.583 65.505 0.078 19654 7410 1 10 . 1 1 120 120 PRO CB C 120 30.167 30.167 31.448 -1.281 19654 7411 1 10 . 1 1 121 121 LEU N N 121 120.974 120.974 120.188 0.786 19654 7412 1 10 . 1 1 121 121 LEU HA H 121 3.990 3.990 4.096 -0.106 19654 7413 1 10 . 1 1 121 121 LEU CA C 121 58.436 58.436 57.493 0.943 19654 7414 1 10 . 1 1 121 121 LEU CB C 121 40.988 40.988 41.763 -0.775 19654 7415 1 10 . 1 1 121 121 LEU H H 121 7.587 7.587 8.087 -0.500 19654 7416 1 10 . 1 1 122 122 ALA N N 122 121.982 121.982 121.457 0.525 19654 7417 1 10 . 1 1 122 122 ALA HA H 122 3.743 3.743 3.930 -0.187 19654 7418 1 10 . 1 1 122 122 ALA CA C 122 55.233 55.233 55.236 -0.003 19654 7419 1 10 . 1 1 122 122 ALA CB C 122 17.687 17.687 18.084 -0.397 19654 7420 1 10 . 1 1 122 122 ALA H H 122 8.593 8.593 8.299 0.294 19654 7421 1 10 . 1 1 123 123 GLU N N 123 120.516 120.516 118.239 2.277 19654 7422 1 10 . 1 1 123 123 GLU HA H 123 3.862 3.862 3.939 -0.077 19654 7423 1 10 . 1 1 123 123 GLU CA C 123 59.995 59.995 59.352 0.643 19654 7424 1 10 . 1 1 123 123 GLU CB C 123 29.298 29.298 29.528 -0.230 19654 7425 1 10 . 1 1 123 123 GLU H H 123 8.568 8.568 8.572 -0.004 19654 7426 1 10 . 1 1 124 124 SER N N 124 116.054 116.054 116.365 -0.311 19654 7427 1 10 . 1 1 124 124 SER HA H 124 4.367 4.367 4.258 0.109 19654 7428 1 10 . 1 1 124 124 SER CA C 124 62.240 62.240 62.340 -0.100 19654 7429 1 10 . 1 1 124 124 SER CB C 124 63.074 63.074 62.764 0.310 19654 7430 1 10 . 1 1 124 124 SER H H 124 8.282 8.282 8.036 0.246 19654 7431 1 10 . 1 1 125 125 ILE N N 125 120.575 120.575 121.985 -1.410 19654 7432 1 10 . 1 1 125 125 ILE HA H 125 3.627 3.627 3.808 -0.181 19654 7433 1 10 . 1 1 125 125 ILE CA C 125 64.655 64.655 64.573 0.082 19654 7434 1 10 . 1 1 125 125 ILE CB C 125 37.413 37.413 36.794 0.619 19654 7435 1 10 . 1 1 125 125 ILE H H 125 8.343 8.343 8.440 -0.097 19654 7436 1 10 . 1 1 126 126 THR N N 126 116.459 116.459 115.730 0.729 19654 7437 1 10 . 1 1 126 126 THR HA H 126 3.482 3.482 3.946 -0.464 19654 7438 1 10 . 1 1 126 126 THR CA C 126 68.679 68.679 67.214 1.465 19654 7439 1 10 . 1 1 126 126 THR CB C 126 67.075 67.075 67.935 -0.860 19654 7440 1 10 . 1 1 126 126 THR H H 126 8.056 8.056 8.217 -0.161 19654 7441 1 10 . 1 1 127 127 ASP N N 127 120.236 120.236 122.614 -2.378 19654 7442 1 10 . 1 1 127 127 ASP HA H 127 4.481 4.481 4.581 -0.100 19654 7443 1 10 . 1 1 127 127 ASP CA C 127 58.322 58.322 57.838 0.484 19654 7444 1 10 . 1 1 127 127 ASP CB C 127 41.822 41.822 41.012 0.810 19654 7445 1 10 . 1 1 127 127 ASP H H 127 8.813 8.813 8.452 0.361 19654 7446 1 10 . 1 1 128 128 VAL N N 128 116.904 116.904 119.831 -2.927 19654 7447 1 10 . 1 1 128 128 VAL HA H 128 3.677 3.677 3.729 -0.052 19654 7448 1 10 . 1 1 128 128 VAL CA C 128 66.346 66.346 66.271 0.075 19654 7449 1 10 . 1 1 128 128 VAL CB C 128 31.351 31.351 31.283 0.068 19654 7450 1 10 . 1 1 128 128 VAL H H 128 7.949 7.949 8.075 -0.126 19654 7451 1 10 . 1 1 129 129 LEU N N 129 121.043 121.043 120.932 0.111 19654 7452 1 10 . 1 1 129 129 LEU HA H 129 3.819 3.819 3.952 -0.133 19654 7453 1 10 . 1 1 129 129 LEU CA C 129 58.742 58.742 58.395 0.347 19654 7454 1 10 . 1 1 129 129 LEU CB C 129 42.370 42.370 41.928 0.442 19654 7455 1 10 . 1 1 129 129 LEU H H 129 8.198 8.198 7.794 0.404 19654 7456 1 10 . 1 1 130 130 VAL N N 130 114.370 114.370 117.986 -3.616 19654 7457 1 10 . 1 1 130 130 VAL HA H 130 3.525 3.525 3.746 -0.221 19654 7458 1 10 . 1 1 130 130 VAL CA C 130 66.004 66.004 66.154 -0.151 19654 7459 1 10 . 1 1 130 130 VAL CB C 130 31.320 31.320 31.611 -0.291 19654 7460 1 10 . 1 1 130 130 VAL H H 130 8.858 8.858 8.355 0.503 19654 7461 1 10 . 1 1 131 131 ARG N N 131 115.890 115.890 120.331 -4.441 19654 7462 1 10 . 1 1 131 131 ARG HA H 131 4.284 4.284 4.167 0.117 19654 7463 1 10 . 1 1 131 131 ARG CA C 131 59.255 59.255 58.998 0.258 19654 7464 1 10 . 1 1 131 131 ARG CB C 131 30.009 30.009 30.169 -0.160 19654 7465 1 10 . 1 1 131 131 ARG H H 131 8.619 8.619 8.396 0.223 19654 7466 1 10 . 1 1 132 132 THR N N 132 106.654 106.654 110.327 -3.673 19654 7467 1 10 . 1 1 132 132 THR HA H 132 4.464 4.464 4.494 -0.030 19654 7468 1 10 . 1 1 132 132 THR CA C 132 64.081 64.081 62.926 1.155 19654 7469 1 10 . 1 1 132 132 THR CB C 132 69.870 69.870 70.313 -0.443 19654 7470 1 10 . 1 1 132 132 THR H H 132 7.530 7.530 7.714 -0.184 19654 7471 1 10 . 1 1 133 133 LYS N N 133 117.426 117.426 119.974 -2.548 19654 7472 1 10 . 1 1 133 133 LYS HA H 133 5.029 5.029 4.872 0.157 19654 7473 1 10 . 1 1 133 133 LYS CA C 133 53.009 53.009 54.607 -1.598 19654 7474 1 10 . 1 1 133 133 LYS CB C 133 31.044 31.044 32.542 -1.498 19654 7475 1 10 . 1 1 133 133 LYS H H 133 7.691 7.691 7.939 -0.248 19654 7476 1 10 . 1 1 134 134 ARG N N 134 120.904 120.904 121.401 -0.497 19654 7477 1 10 . 1 1 134 134 ARG HA H 134 3.679 3.679 3.920 -0.241 19654 7478 1 10 . 1 1 134 134 ARG CA C 134 61.456 61.456 60.894 0.562 19654 7479 1 10 . 1 1 134 134 ARG CB C 134 30.261 30.261 29.979 0.282 19654 7480 1 10 . 1 1 134 134 ARG H H 134 7.341 7.341 7.586 -0.245 19654 7481 1 10 . 1 1 135 135 ASP N N 135 114.262 114.262 118.272 -4.010 19654 7482 1 10 . 1 1 135 135 ASP HA H 135 4.238 4.238 4.331 -0.093 19654 7483 1 10 . 1 1 135 135 ASP CA C 135 57.595 57.595 57.618 -0.023 19654 7484 1 10 . 1 1 135 135 ASP CB C 135 39.961 39.961 39.896 0.065 19654 7485 1 10 . 1 1 135 135 ASP H H 135 8.386 8.386 8.743 -0.357 19654 7486 1 10 . 1 1 136 136 TRP N N 136 121.564 121.564 119.337 2.227 19654 7487 1 10 . 1 1 136 136 TRP HA H 136 3.858 3.858 4.365 -0.507 19654 7488 1 10 . 1 1 136 136 TRP CA C 136 62.373 62.373 59.837 2.536 19654 7489 1 10 . 1 1 136 136 TRP CB C 136 28.807 28.807 29.413 -0.606 19654 7490 1 10 . 1 1 136 136 TRP H H 136 7.844 7.844 7.812 0.032 19654 7491 1 10 . 1 1 137 137 LEU N N 137 117.395 117.395 119.673 -2.278 19654 7492 1 10 . 1 1 137 137 LEU HA H 137 3.461 3.461 3.877 -0.416 19654 7493 1 10 . 1 1 137 137 LEU CA C 137 58.325 58.325 58.161 0.164 19654 7494 1 10 . 1 1 137 137 LEU CB C 137 42.979 42.979 41.651 1.328 19654 7495 1 10 . 1 1 137 137 LEU H H 137 8.623 8.623 8.496 0.127 19654 7496 1 10 . 1 1 138 138 VAL N N 138 118.341 118.341 117.432 0.909 19654 7497 1 10 . 1 1 138 138 VAL HA H 138 3.586 3.586 3.756 -0.170 19654 7498 1 10 . 1 1 138 138 VAL CA C 138 66.501 66.501 64.989 1.512 19654 7499 1 10 . 1 1 138 138 VAL CB C 138 31.588 31.588 32.069 -0.481 19654 7500 1 10 . 1 1 138 138 VAL H H 138 8.631 8.631 7.902 0.729 19654 7501 1 10 . 1 1 139 139 LYS N N 139 122.096 122.096 117.579 4.517 19654 7502 1 10 . 1 1 139 139 LYS HA H 139 3.941 3.941 4.211 -0.270 19654 7503 1 10 . 1 1 139 139 LYS CA C 139 58.925 58.925 58.437 0.488 19654 7504 1 10 . 1 1 139 139 LYS CB C 139 31.752 31.752 32.575 -0.824 19654 7505 1 10 . 1 1 139 139 LYS H H 139 7.695 7.695 8.421 -0.726 19654 7506 1 10 . 1 1 140 140 GLN N N 140 115.416 115.416 116.356 -0.940 19654 7507 1 10 . 1 1 140 140 GLN HA H 140 3.970 3.970 4.378 -0.408 19654 7508 1 10 . 1 1 140 140 GLN CA C 140 54.309 54.309 54.365 -0.057 19654 7509 1 10 . 1 1 140 140 GLN CB C 140 27.174 27.174 30.148 -2.974 19654 7510 1 10 . 1 1 140 140 GLN H H 140 7.344 7.344 8.043 -0.699 19654 7511 1 10 . 1 1 141 141 ARG N N 141 110.160 110.160 115.881 -5.721 19654 7512 1 10 . 1 1 141 141 ARG HA H 141 3.899 3.899 4.045 -0.146 19654 7513 1 10 . 1 1 141 141 ARG CA C 141 57.400 57.400 56.238 1.162 19654 7514 1 10 . 1 1 141 141 ARG CB C 141 25.640 25.640 27.708 -2.068 19654 7515 1 10 . 1 1 141 141 ARG H H 141 7.677 7.677 7.292 0.385 19654 7516 1 10 . 1 1 142 142 GLY N N 142 107.741 107.741 108.975 -1.234 19654 7517 1 10 . 1 1 142 142 GLY CA C 142 45.633 45.633 46.572 -0.939 19654 7518 1 10 . 1 1 142 142 GLY H H 142 8.931 8.931 8.560 0.371 19654 7519 1 10 . 1 1 143 143 TRP N N 143 123.871 123.871 120.526 3.345 19654 7520 1 10 . 1 1 143 143 TRP HA H 143 4.273 4.273 4.209 0.064 19654 7521 1 10 . 1 1 143 143 TRP CA C 143 59.317 59.317 59.912 -0.595 19654 7522 1 10 . 1 1 143 143 TRP CB C 143 28.435 28.435 29.099 -0.664 19654 7523 1 10 . 1 1 143 143 TRP H H 143 9.004 9.004 7.706 1.298 19654 7524 1 10 . 1 1 144 144 ASP N N 144 119.481 119.481 119.771 -0.290 19654 7525 1 10 . 1 1 144 144 ASP HA H 144 4.553 4.553 4.378 0.175 19654 7526 1 10 . 1 1 144 144 ASP CA C 144 57.825 57.825 58.822 -0.997 19654 7527 1 10 . 1 1 144 144 ASP CB C 144 40.435 40.435 40.194 0.241 19654 7528 1 10 . 1 1 144 144 ASP H H 144 8.071 8.071 8.215 -0.144 19654 7529 1 10 . 1 1 145 145 GLY N N 145 109.653 109.653 107.372 2.281 19654 7530 1 10 . 1 1 145 145 GLY CA C 145 46.856 46.856 46.685 0.171 19654 7531 1 10 . 1 1 145 145 GLY H H 145 7.493 7.493 8.202 -0.709 19654 7532 1 10 . 1 1 146 146 PHE N N 146 124.053 124.053 123.097 0.956 19654 7533 1 10 . 1 1 146 146 PHE HA H 146 2.455 2.455 4.080 -1.625 19654 7534 1 10 . 1 1 146 146 PHE CA C 146 60.349 60.349 61.392 -1.043 19654 7535 1 10 . 1 1 146 146 PHE CB C 146 38.607 38.607 39.409 -0.802 19654 7536 1 10 . 1 1 146 146 PHE H H 146 7.257 7.257 8.009 -0.752 19654 7537 1 10 . 1 1 147 147 VAL N N 147 116.525 116.525 118.732 -2.207 19654 7538 1 10 . 1 1 147 147 VAL HA H 147 3.298 3.298 3.560 -0.262 19654 7539 1 10 . 1 1 147 147 VAL CA C 147 66.080 66.080 66.437 -0.357 19654 7540 1 10 . 1 1 147 147 VAL CB C 147 31.904 31.904 31.653 0.251 19654 7541 1 10 . 1 1 147 147 VAL H H 147 7.700 7.700 8.083 -0.383 19654 7542 1 10 . 1 1 148 148 GLU N N 148 118.404 118.404 119.402 -0.998 19654 7543 1 10 . 1 1 148 148 GLU HA H 148 3.985 3.985 4.011 -0.026 19654 7544 1 10 . 1 1 148 148 GLU CA C 148 58.933 58.933 59.196 -0.263 19654 7545 1 10 . 1 1 148 148 GLU CB C 148 29.535 29.535 29.653 -0.118 19654 7546 1 10 . 1 1 148 148 GLU H H 148 7.801 7.801 8.101 -0.300 19654 7547 1 10 . 1 1 149 149 PHE N N 149 120.305 120.305 118.731 1.574 19654 7548 1 10 . 1 1 149 149 PHE HA H 149 3.970 3.970 4.125 -0.155 19654 7549 1 10 . 1 1 149 149 PHE CA C 149 61.341 61.341 60.619 0.722 19654 7550 1 10 . 1 1 149 149 PHE CB C 149 39.011 39.011 39.299 -0.288 19654 7551 1 10 . 1 1 149 149 PHE H H 149 8.358 8.358 7.959 0.399 19654 7552 1 10 . 1 1 150 150 PHE N N 150 112.582 112.582 113.337 -0.755 19654 7553 1 10 . 1 1 150 150 PHE HA H 150 4.255 4.255 4.240 0.015 19654 7554 1 10 . 1 1 150 150 PHE CA C 150 59.075 59.075 59.638 -0.563 19654 7555 1 10 . 1 1 150 150 PHE CB C 150 39.487 39.487 39.602 -0.115 19654 7556 1 10 . 1 1 150 150 PHE H H 150 6.927 6.927 7.624 -0.697 19654 7557 1 10 . 1 1 151 151 HIS N N 151 118.966 118.966 119.225 -0.259 19654 7558 1 10 . 1 1 151 151 HIS HA H 151 4.370 4.370 4.249 0.121 19654 7559 1 10 . 1 1 151 151 HIS CA C 151 56.788 56.788 56.514 0.274 19654 7560 1 10 . 1 1 151 151 HIS CB C 151 28.827 28.827 27.652 1.175 19654 7561 1 10 . 1 1 151 151 HIS H H 151 7.483 7.483 8.000 -0.517 19654 7562 1 10 . 1 1 152 152 VAL N N 152 120.499 120.499 122.975 -2.476 19654 7563 1 10 . 1 1 152 152 VAL HA H 152 3.950 3.950 4.247 -0.297 19654 7564 1 10 . 1 1 152 152 VAL CA C 152 62.110 62.110 63.899 -1.789 19654 7565 1 10 . 1 1 152 152 VAL CB C 152 32.593 32.593 33.897 -1.304 19654 7566 1 10 . 1 1 152 152 VAL H H 152 8.103 8.103 7.688 0.415 19654 7567 1 10 . 1 1 153 153 GLU N N 153 123.580 123.580 120.603 2.977 19654 7568 1 10 . 1 1 153 153 GLU HA H 153 4.162 4.162 4.544 -0.382 19654 7569 1 10 . 1 1 153 153 GLU CA C 153 56.433 56.433 55.176 1.257 19654 7570 1 10 . 1 1 153 153 GLU CB C 153 30.101 30.101 29.130 0.971 19654 7571 1 10 . 1 1 153 153 GLU H H 153 8.446 8.446 8.387 0.059 19654 7572 1 10 . 1 1 154 154 ASP N N 154 120.964 120.964 121.410 -0.446 19654 7573 1 10 . 1 1 154 154 ASP HA H 154 4.565 4.565 4.873 -0.308 19654 7574 1 10 . 1 1 154 154 ASP CA C 154 54.106 54.106 53.517 0.589 19654 7575 1 10 . 1 1 154 154 ASP CB C 154 40.836 40.836 43.261 -2.425 19654 7576 1 10 . 1 1 154 154 ASP H H 154 8.325 8.325 7.875 0.450 19654 7577 1 10 . 1 1 155 155 LEU N N 155 122.311 122.311 118.596 3.715 19654 7578 1 10 . 1 1 155 155 LEU HA H 155 4.230 4.230 4.786 -0.556 19654 7579 1 10 . 1 1 155 155 LEU CA C 155 55.340 55.340 55.148 0.192 19654 7580 1 10 . 1 1 155 155 LEU CB C 155 42.094 42.094 42.799 -0.705 19654 7581 1 10 . 1 1 155 155 LEU H H 155 8.210 8.210 8.329 -0.119 19654 7582 1 10 . 1 1 156 156 GLU N N 156 120.023 120.023 118.070 1.953 19654 7583 1 10 . 1 1 156 156 GLU HA H 156 4.218 4.218 3.936 0.282 19654 7584 1 10 . 1 1 156 156 GLU CA C 156 56.831 56.831 57.663 -0.832 19654 7585 1 10 . 1 1 156 156 GLU CB C 156 29.930 29.930 28.406 1.524 19654 7586 1 10 . 1 1 156 156 GLU H H 156 8.396 8.396 8.766 -0.370 19654 7587 1 10 . 1 1 157 157 GLY N N 157 109.371 109.371 107.568 1.803 19654 7588 1 10 . 1 1 157 157 GLY CA C 157 45.327 45.327 45.413 -0.086 19654 7589 1 10 . 1 1 157 157 GLY H H 157 8.323 8.323 8.205 0.118 19654 7590 1 10 . 1 1 158 158 GLY N N 158 108.074 108.074 113.594 -5.520 19654 7591 1 10 . 1 1 158 158 GLY CA C 158 45.061 45.061 44.463 0.598 19654 7592 1 10 . 1 1 158 158 GLY H H 158 8.226 8.226 7.941 0.285 19654 7593 1 10 . 1 1 159 159 HIS N N 159 117.875 117.875 116.286 1.589 19654 7594 1 10 . 1 1 159 159 HIS HA H 159 4.551 4.551 4.574 -0.023 19654 7595 1 10 . 1 1 159 159 HIS CA C 159 55.600 55.600 55.023 0.577 19654 7596 1 10 . 1 1 159 159 HIS CB C 159 29.800 29.800 30.510 -0.710 19654 7597 1 10 . 1 1 159 159 HIS H H 159 8.210 8.210 7.694 0.516 19654 7598 1 10 . 1 1 161 161 HIS N N 161 125.094 125.094 113.974 11.120 19654 7599 1 10 . 1 1 161 161 HIS HA H 161 4.585 4.585 4.509 0.076 19654 7600 1 10 . 1 1 161 161 HIS H H 161 8.162 8.162 7.488 0.674 19654 7601 1 11 . 1 1 2 2 GLU HA H 2 4.333 4.333 4.247 0.086 19654 7602 1 11 . 1 1 2 2 GLU CA C 2 56.183 56.183 55.494 0.689 19654 7603 1 11 . 1 1 2 2 GLU CB C 2 30.150 30.150 30.314 -0.164 19654 7604 1 11 . 1 1 3 3 ASP N N 3 122.553 122.553 119.551 3.002 19654 7605 1 11 . 1 1 3 3 ASP HA H 3 4.729 4.729 4.611 0.118 19654 7606 1 11 . 1 1 3 3 ASP CA C 3 53.659 53.659 53.470 0.189 19654 7607 1 11 . 1 1 3 3 ASP CB C 3 41.319 41.319 43.098 -1.779 19654 7608 1 11 . 1 1 3 3 ASP H H 3 8.437 8.437 8.290 0.147 19654 7609 1 11 . 1 1 4 4 GLU N N 4 125.121 125.121 123.824 1.297 19654 7610 1 11 . 1 1 4 4 GLU HA H 4 4.235 4.235 4.073 0.162 19654 7611 1 11 . 1 1 4 4 GLU CA C 4 58.915 58.915 59.460 -0.545 19654 7612 1 11 . 1 1 4 4 GLU CB C 4 29.274 29.274 29.773 -0.499 19654 7613 1 11 . 1 1 4 4 GLU H H 4 8.726 8.726 8.827 -0.101 19654 7614 1 11 . 1 1 5 5 LEU N N 5 120.976 120.976 120.536 0.440 19654 7615 1 11 . 1 1 5 5 LEU HA H 5 4.517 4.517 4.158 0.359 19654 7616 1 11 . 1 1 5 5 LEU CA C 5 57.939 57.939 57.872 0.067 19654 7617 1 11 . 1 1 5 5 LEU CB C 5 40.917 40.917 41.843 -0.926 19654 7618 1 11 . 1 1 5 5 LEU H H 5 8.381 8.381 8.613 -0.232 19654 7619 1 11 . 1 1 6 6 TYR N N 6 123.977 123.977 119.958 4.019 19654 7620 1 11 . 1 1 6 6 TYR HA H 6 3.865 3.865 4.378 -0.513 19654 7621 1 11 . 1 1 6 6 TYR CA C 6 62.721 62.721 61.402 1.319 19654 7622 1 11 . 1 1 6 6 TYR CB C 6 38.475 38.475 38.183 0.292 19654 7623 1 11 . 1 1 6 6 TYR H H 6 8.342 8.342 7.597 0.745 19654 7624 1 11 . 1 1 7 7 ARG N N 7 118.301 118.301 119.176 -0.875 19654 7625 1 11 . 1 1 7 7 ARG HA H 7 3.828 3.828 3.964 -0.136 19654 7626 1 11 . 1 1 7 7 ARG CA C 7 59.619 59.619 59.493 0.126 19654 7627 1 11 . 1 1 7 7 ARG CB C 7 29.720 29.720 29.444 0.276 19654 7628 1 11 . 1 1 7 7 ARG H H 7 8.452 8.452 8.124 0.328 19654 7629 1 11 . 1 1 8 8 GLN N N 8 119.421 119.421 119.555 -0.134 19654 7630 1 11 . 1 1 8 8 GLN HA H 8 3.944 3.944 3.924 0.020 19654 7631 1 11 . 1 1 8 8 GLN CA C 8 58.827 58.827 59.104 -0.277 19654 7632 1 11 . 1 1 8 8 GLN CB C 8 28.918 28.918 28.741 0.177 19654 7633 1 11 . 1 1 8 8 GLN H H 8 8.894 8.894 8.127 0.767 19654 7634 1 11 . 1 1 9 9 SER N N 9 113.384 113.384 116.186 -2.802 19654 7635 1 11 . 1 1 9 9 SER HA H 9 4.007 4.007 3.715 0.292 19654 7636 1 11 . 1 1 9 9 SER CA C 9 62.117 62.117 61.546 0.571 19654 7637 1 11 . 1 1 9 9 SER CB C 9 63.544 63.544 63.126 0.418 19654 7638 1 11 . 1 1 9 9 SER H H 9 8.018 8.018 7.974 0.044 19654 7639 1 11 . 1 1 10 10 LEU N N 10 121.112 121.112 124.101 -2.989 19654 7640 1 11 . 1 1 10 10 LEU HA H 10 4.130 4.130 4.086 0.044 19654 7641 1 11 . 1 1 10 10 LEU CA C 10 57.022 57.022 57.400 -0.378 19654 7642 1 11 . 1 1 10 10 LEU CB C 10 41.146 41.146 41.549 -0.403 19654 7643 1 11 . 1 1 10 10 LEU H H 10 8.599 8.599 8.249 0.350 19654 7644 1 11 . 1 1 11 11 GLU N N 11 120.653 120.653 119.932 0.721 19654 7645 1 11 . 1 1 11 11 GLU HA H 11 3.914 3.914 3.863 0.051 19654 7646 1 11 . 1 1 11 11 GLU CA C 11 59.627 59.627 59.802 -0.175 19654 7647 1 11 . 1 1 11 11 GLU CB C 11 29.298 29.298 29.645 -0.347 19654 7648 1 11 . 1 1 11 11 GLU H H 11 7.806 7.806 7.974 -0.168 19654 7649 1 11 . 1 1 12 12 ILE N N 12 117.297 117.297 119.513 -2.216 19654 7650 1 11 . 1 1 12 12 ILE HA H 12 3.121 3.121 3.595 -0.474 19654 7651 1 11 . 1 1 12 12 ILE CA C 12 65.774 65.774 65.486 0.288 19654 7652 1 11 . 1 1 12 12 ILE CB C 12 39.143 39.143 37.816 1.327 19654 7653 1 11 . 1 1 12 12 ILE H H 12 7.401 7.401 7.656 -0.255 19654 7654 1 11 . 1 1 13 13 ILE N N 13 117.560 117.560 119.185 -1.625 19654 7655 1 11 . 1 1 13 13 ILE HA H 13 3.302 3.302 3.458 -0.156 19654 7656 1 11 . 1 1 13 13 ILE CA C 13 66.420 66.420 65.890 0.530 19654 7657 1 11 . 1 1 13 13 ILE CB C 13 37.714 37.714 37.474 0.240 19654 7658 1 11 . 1 1 13 13 ILE H H 13 8.378 8.378 8.093 0.285 19654 7659 1 11 . 1 1 14 14 SER N N 14 113.892 113.892 115.659 -1.767 19654 7660 1 11 . 1 1 14 14 SER HA H 14 3.889 3.889 3.993 -0.104 19654 7661 1 11 . 1 1 14 14 SER CA C 14 62.310 62.310 61.711 0.599 19654 7662 1 11 . 1 1 14 14 SER CB C 14 62.282 62.282 63.008 -0.726 19654 7663 1 11 . 1 1 14 14 SER H H 14 9.048 9.048 8.280 0.768 19654 7664 1 11 . 1 1 15 15 ARG N N 15 118.890 118.890 120.846 -1.956 19654 7665 1 11 . 1 1 15 15 ARG HA H 15 4.033 4.033 3.948 0.085 19654 7666 1 11 . 1 1 15 15 ARG CA C 15 59.496 59.496 59.384 0.112 19654 7667 1 11 . 1 1 15 15 ARG CB C 15 29.727 29.727 30.145 -0.418 19654 7668 1 11 . 1 1 15 15 ARG H H 15 7.655 7.655 7.451 0.204 19654 7669 1 11 . 1 1 16 16 TYR N N 16 119.757 119.757 121.714 -1.957 19654 7670 1 11 . 1 1 16 16 TYR HA H 16 4.146 4.146 4.128 0.018 19654 7671 1 11 . 1 1 16 16 TYR CA C 16 61.265 61.265 61.738 -0.473 19654 7672 1 11 . 1 1 16 16 TYR CB C 16 38.495 38.495 38.349 0.146 19654 7673 1 11 . 1 1 16 16 TYR H H 16 8.351 8.351 8.209 0.142 19654 7674 1 11 . 1 1 17 17 LEU N N 17 118.494 118.494 119.159 -0.665 19654 7675 1 11 . 1 1 17 17 LEU HA H 17 3.375 3.375 3.759 -0.384 19654 7676 1 11 . 1 1 17 17 LEU CA C 17 59.627 59.627 58.482 1.145 19654 7677 1 11 . 1 1 17 17 LEU CB C 17 39.949 39.949 41.095 -1.146 19654 7678 1 11 . 1 1 17 17 LEU H H 17 8.578 8.578 8.605 -0.027 19654 7679 1 11 . 1 1 18 18 ARG N N 18 115.962 115.962 118.683 -2.721 19654 7680 1 11 . 1 1 18 18 ARG HA H 18 3.858 3.858 3.901 -0.043 19654 7681 1 11 . 1 1 18 18 ARG CA C 18 60.233 60.233 58.780 1.453 19654 7682 1 11 . 1 1 18 18 ARG CB C 18 29.993 29.993 29.786 0.207 19654 7683 1 11 . 1 1 18 18 ARG H H 18 8.044 8.044 7.887 0.157 19654 7684 1 11 . 1 1 19 19 GLU N N 19 120.998 120.998 119.410 1.588 19654 7685 1 11 . 1 1 19 19 GLU HA H 19 4.153 4.153 4.036 0.117 19654 7686 1 11 . 1 1 19 19 GLU CA C 19 58.857 58.857 58.809 0.048 19654 7687 1 11 . 1 1 19 19 GLU CB C 19 29.661 29.661 28.850 0.811 19654 7688 1 11 . 1 1 19 19 GLU H H 19 8.268 8.268 8.318 -0.050 19654 7689 1 11 . 1 1 20 20 GLN N N 20 119.903 119.903 118.165 1.738 19654 7690 1 11 . 1 1 20 20 GLN HA H 20 3.715 3.715 3.984 -0.269 19654 7691 1 11 . 1 1 20 20 GLN CA C 20 58.008 58.008 57.721 0.287 19654 7692 1 11 . 1 1 20 20 GLN CB C 20 28.666 28.666 27.799 0.867 19654 7693 1 11 . 1 1 20 20 GLN H H 20 8.193 8.193 8.136 0.057 19654 7694 1 11 . 1 1 21 21 ALA N N 21 117.771 117.771 120.603 -2.832 19654 7695 1 11 . 1 1 21 21 ALA HA H 21 3.985 3.985 4.101 -0.116 19654 7696 1 11 . 1 1 21 21 ALA CA C 21 54.397 54.397 54.575 -0.178 19654 7697 1 11 . 1 1 21 21 ALA CB C 21 20.022 20.022 18.844 1.178 19654 7698 1 11 . 1 1 21 21 ALA H H 21 7.883 7.883 7.468 0.415 19654 7699 1 11 . 1 1 22 22 THR N N 22 103.721 103.721 109.662 -5.941 19654 7700 1 11 . 1 1 22 22 THR HA H 22 4.279 4.279 4.185 0.094 19654 7701 1 11 . 1 1 22 22 THR CA C 22 62.357 62.357 63.400 -1.043 19654 7702 1 11 . 1 1 22 22 THR CB C 22 71.071 71.071 69.942 1.129 19654 7703 1 11 . 1 1 22 22 THR H H 22 8.024 8.024 7.780 0.244 19654 7704 1 11 . 1 1 23 23 GLY N N 23 111.610 111.610 111.412 0.198 19654 7705 1 11 . 1 1 23 23 GLY CA C 23 45.574 45.574 45.232 0.342 19654 7706 1 11 . 1 1 23 23 GLY H H 23 8.155 8.155 8.111 0.044 19654 7707 1 11 . 1 1 24 24 ALA N N 24 123.004 123.004 122.622 0.382 19654 7708 1 11 . 1 1 24 24 ALA HA H 24 4.526 4.526 4.613 -0.087 19654 7709 1 11 . 1 1 24 24 ALA CA C 24 50.763 50.763 51.645 -0.882 19654 7710 1 11 . 1 1 24 24 ALA CB C 24 20.186 20.186 21.195 -1.009 19654 7711 1 11 . 1 1 24 24 ALA H H 24 7.763 7.763 7.610 0.153 19654 7712 1 11 . 1 1 25 25 LYS N N 25 121.392 121.392 122.056 -0.664 19654 7713 1 11 . 1 1 25 25 LYS HA H 25 4.181 4.181 4.166 0.015 19654 7714 1 11 . 1 1 25 25 LYS CA C 25 55.729 55.729 56.325 -0.596 19654 7715 1 11 . 1 1 25 25 LYS CB C 25 33.175 33.175 32.706 0.469 19654 7716 1 11 . 1 1 25 25 LYS H H 25 8.349 8.349 8.218 0.131 19654 7717 1 11 . 1 1 26 26 ASP N N 26 124.433 124.433 120.153 4.280 19654 7718 1 11 . 1 1 26 26 ASP HA H 26 4.618 4.618 4.666 -0.048 19654 7719 1 11 . 1 1 26 26 ASP CA C 26 53.735 53.735 53.648 0.087 19654 7720 1 11 . 1 1 26 26 ASP CB C 26 41.402 41.402 41.838 -0.436 19654 7721 1 11 . 1 1 26 26 ASP H H 26 8.803 8.803 8.633 0.170 19654 7722 1 11 . 1 1 27 27 THR N N 27 116.332 116.332 115.369 0.963 19654 7723 1 11 . 1 1 27 27 THR HA H 27 4.249 4.249 4.438 -0.189 19654 7724 1 11 . 1 1 27 27 THR CA C 27 61.268 61.268 60.912 0.356 19654 7725 1 11 . 1 1 27 27 THR CB C 27 68.993 68.993 68.894 0.099 19654 7726 1 11 . 1 1 27 27 THR H H 27 8.363 8.363 8.275 0.088 19654 7727 1 11 . 1 1 28 28 LYS N N 28 125.551 125.551 123.364 2.187 19654 7728 1 11 . 1 1 28 28 LYS HA H 28 4.437 4.437 4.515 -0.078 19654 7729 1 11 . 1 1 28 28 LYS CA C 28 55.188 55.188 54.704 0.484 19654 7730 1 11 . 1 1 28 28 LYS CB C 28 31.409 31.409 32.261 -0.852 19654 7731 1 11 . 1 1 28 28 LYS H H 28 8.346 8.346 7.708 0.638 19654 7732 1 11 . 1 1 29 29 PRO HA H 29 4.392 4.392 4.357 0.035 19654 7733 1 11 . 1 1 29 29 PRO CA C 29 63.164 63.164 63.757 -0.593 19654 7734 1 11 . 1 1 29 29 PRO CB C 29 31.904 31.904 31.936 -0.033 19654 7735 1 11 . 1 1 30 30 MET N N 30 121.136 121.136 124.836 -3.700 19654 7736 1 11 . 1 1 30 30 MET HA H 30 4.381 4.381 4.213 0.168 19654 7737 1 11 . 1 1 30 30 MET CA C 30 55.229 55.229 57.450 -2.220 19654 7738 1 11 . 1 1 30 30 MET CB C 30 33.819 33.819 33.308 0.511 19654 7739 1 11 . 1 1 30 30 MET H H 30 8.585 8.585 8.680 -0.095 19654 7740 1 11 . 1 1 31 31 GLY N N 31 109.849 109.849 104.170 5.679 19654 7741 1 11 . 1 1 31 31 GLY CA C 31 44.983 44.983 45.303 -0.320 19654 7742 1 11 . 1 1 31 31 GLY H H 31 8.930 8.930 7.637 1.293 19654 7743 1 11 . 1 1 32 32 ARG N N 32 121.001 121.001 122.658 -1.657 19654 7744 1 11 . 1 1 32 32 ARG HA H 32 4.239 4.239 4.408 -0.169 19654 7745 1 11 . 1 1 32 32 ARG CA C 32 56.755 56.755 56.845 -0.090 19654 7746 1 11 . 1 1 32 32 ARG CB C 32 30.110 30.110 31.185 -1.075 19654 7747 1 11 . 1 1 32 32 ARG H H 32 8.447 8.447 8.614 -0.167 19654 7748 1 11 . 1 1 33 33 SER N N 33 119.991 119.991 113.731 6.260 19654 7749 1 11 . 1 1 33 33 SER HA H 33 4.386 4.386 4.686 -0.300 19654 7750 1 11 . 1 1 33 33 SER CA C 33 58.502 58.502 57.086 1.416 19654 7751 1 11 . 1 1 33 33 SER CB C 33 62.609 62.609 65.256 -2.647 19654 7752 1 11 . 1 1 33 33 SER H H 33 8.667 8.667 7.922 0.745 19654 7753 1 11 . 1 1 34 34 GLY N N 34 108.582 108.582 111.378 -2.796 19654 7754 1 11 . 1 1 34 34 GLY CA C 34 46.637 46.637 45.412 1.225 19654 7755 1 11 . 1 1 34 34 GLY H H 34 8.216 8.216 8.787 -0.571 19654 7756 1 11 . 1 1 35 35 ALA N N 35 123.445 123.445 124.133 -0.688 19654 7757 1 11 . 1 1 35 35 ALA HA H 35 4.193 4.193 4.174 0.019 19654 7758 1 11 . 1 1 35 35 ALA CA C 35 54.770 54.770 55.341 -0.571 19654 7759 1 11 . 1 1 35 35 ALA CB C 35 18.437 18.437 18.376 0.061 19654 7760 1 11 . 1 1 35 35 ALA H H 35 8.506 8.506 8.499 0.007 19654 7761 1 11 . 1 1 36 36 THR N N 36 115.716 115.716 114.969 0.747 19654 7762 1 11 . 1 1 36 36 THR HA H 36 3.919 3.919 3.964 -0.045 19654 7763 1 11 . 1 1 36 36 THR CA C 36 67.249 67.249 66.854 0.395 19654 7764 1 11 . 1 1 36 36 THR CB C 36 68.225 68.225 68.474 -0.249 19654 7765 1 11 . 1 1 36 36 THR H H 36 8.262 8.262 8.383 -0.121 19654 7766 1 11 . 1 1 37 37 SER N N 37 117.911 117.911 117.437 0.474 19654 7767 1 11 . 1 1 37 37 SER HA H 37 3.869 3.869 3.897 -0.028 19654 7768 1 11 . 1 1 37 37 SER CA C 37 62.333 62.333 61.271 1.062 19654 7769 1 11 . 1 1 37 37 SER CB C 37 62.333 62.333 62.527 -0.194 19654 7770 1 11 . 1 1 37 37 SER H H 37 8.389 8.389 8.246 0.143 19654 7771 1 11 . 1 1 38 38 ARG N N 38 120.924 120.924 122.804 -1.880 19654 7772 1 11 . 1 1 38 38 ARG HA H 38 3.901 3.901 3.911 -0.010 19654 7773 1 11 . 1 1 38 38 ARG CA C 38 59.923 59.923 59.593 0.330 19654 7774 1 11 . 1 1 38 38 ARG CB C 38 29.759 29.759 30.202 -0.443 19654 7775 1 11 . 1 1 38 38 ARG H H 38 8.278 8.278 7.817 0.461 19654 7776 1 11 . 1 1 39 39 LYS N N 39 119.172 119.172 118.973 0.199 19654 7777 1 11 . 1 1 39 39 LYS HA H 39 4.151 4.151 3.954 0.197 19654 7778 1 11 . 1 1 39 39 LYS CA C 39 59.086 59.086 59.658 -0.572 19654 7779 1 11 . 1 1 39 39 LYS CB C 39 32.807 32.807 32.218 0.589 19654 7780 1 11 . 1 1 39 39 LYS H H 39 7.930 7.930 8.161 -0.231 19654 7781 1 11 . 1 1 40 40 ALA N N 40 125.586 125.586 122.638 2.948 19654 7782 1 11 . 1 1 40 40 ALA HA H 40 4.175 4.175 4.339 -0.164 19654 7783 1 11 . 1 1 40 40 ALA CA C 40 55.633 55.633 55.242 0.391 19654 7784 1 11 . 1 1 40 40 ALA CB C 40 18.675 18.675 18.686 -0.011 19654 7785 1 11 . 1 1 40 40 ALA H H 40 9.192 9.192 8.367 0.825 19654 7786 1 11 . 1 1 41 41 LEU N N 41 120.080 120.080 120.324 -0.244 19654 7787 1 11 . 1 1 41 41 LEU HA H 41 3.930 3.930 3.948 -0.018 19654 7788 1 11 . 1 1 41 41 LEU CA C 41 58.169 58.169 58.084 0.085 19654 7789 1 11 . 1 1 41 41 LEU CB C 41 41.683 41.683 41.809 -0.126 19654 7790 1 11 . 1 1 41 41 LEU H H 41 8.209 8.209 8.384 -0.175 19654 7791 1 11 . 1 1 42 42 GLU N N 42 117.875 117.875 116.797 1.078 19654 7792 1 11 . 1 1 42 42 GLU HA H 42 3.977 3.977 4.034 -0.057 19654 7793 1 11 . 1 1 42 42 GLU CA C 42 59.335 59.335 59.292 0.043 19654 7794 1 11 . 1 1 42 42 GLU CB C 42 29.176 29.176 28.997 0.179 19654 7795 1 11 . 1 1 42 42 GLU H H 42 8.197 8.197 8.371 -0.174 19654 7796 1 11 . 1 1 43 43 THR N N 43 116.912 116.912 117.577 -0.665 19654 7797 1 11 . 1 1 43 43 THR HA H 43 3.793 3.793 4.029 -0.236 19654 7798 1 11 . 1 1 43 43 THR CA C 43 67.517 67.517 67.194 0.323 19654 7799 1 11 . 1 1 43 43 THR CB C 43 68.089 68.089 68.588 -0.499 19654 7800 1 11 . 1 1 43 43 THR H H 43 8.183 8.183 7.806 0.377 19654 7801 1 11 . 1 1 44 44 LEU N N 44 123.099 123.099 121.362 1.737 19654 7802 1 11 . 1 1 44 44 LEU HA H 44 3.699 3.699 3.995 -0.296 19654 7803 1 11 . 1 1 44 44 LEU CA C 44 58.261 58.261 58.165 0.096 19654 7804 1 11 . 1 1 44 44 LEU CB C 44 40.988 40.988 41.368 -0.380 19654 7805 1 11 . 1 1 44 44 LEU H H 44 8.509 8.509 8.508 0.001 19654 7806 1 11 . 1 1 45 45 ARG N N 45 116.885 116.885 117.373 -0.488 19654 7807 1 11 . 1 1 45 45 ARG HA H 45 4.125 4.125 4.489 -0.364 19654 7808 1 11 . 1 1 45 45 ARG CA C 45 59.617 59.617 58.978 0.639 19654 7809 1 11 . 1 1 45 45 ARG CB C 45 30.423 30.423 29.933 0.490 19654 7810 1 11 . 1 1 45 45 ARG H H 45 8.398 8.398 8.114 0.284 19654 7811 1 11 . 1 1 46 46 ARG N N 46 117.297 117.297 120.307 -3.010 19654 7812 1 11 . 1 1 46 46 ARG HA H 46 4.229 4.229 4.226 0.003 19654 7813 1 11 . 1 1 46 46 ARG CA C 46 58.427 58.427 58.955 -0.528 19654 7814 1 11 . 1 1 46 46 ARG CB C 46 30.408 30.408 30.182 0.226 19654 7815 1 11 . 1 1 46 46 ARG H H 46 7.421 7.421 7.825 -0.404 19654 7816 1 11 . 1 1 47 47 VAL N N 47 114.304 114.304 115.530 -1.226 19654 7817 1 11 . 1 1 47 47 VAL HA H 47 4.094 4.094 4.056 0.038 19654 7818 1 11 . 1 1 47 47 VAL CA C 47 63.242 63.242 64.707 -1.465 19654 7819 1 11 . 1 1 47 47 VAL CB C 47 32.378 32.378 31.358 1.020 19654 7820 1 11 . 1 1 47 47 VAL H H 47 8.515 8.515 8.117 0.398 19654 7821 1 11 . 1 1 48 48 GLY N N 48 110.132 110.132 109.388 0.744 19654 7822 1 11 . 1 1 48 48 GLY CA C 48 46.588 46.588 47.692 -1.104 19654 7823 1 11 . 1 1 48 48 GLY H H 48 8.890 8.890 8.522 0.368 19654 7824 1 11 . 1 1 49 49 ASP N N 49 121.292 121.292 122.814 -1.522 19654 7825 1 11 . 1 1 49 49 ASP HA H 49 4.456 4.456 4.439 0.017 19654 7826 1 11 . 1 1 49 49 ASP CA C 49 57.787 57.787 57.829 -0.042 19654 7827 1 11 . 1 1 49 49 ASP CB C 49 40.912 40.912 40.673 0.239 19654 7828 1 11 . 1 1 49 49 ASP H H 49 7.392 7.392 8.062 -0.670 19654 7829 1 11 . 1 1 50 50 GLY N N 50 106.682 106.682 107.914 -1.232 19654 7830 1 11 . 1 1 50 50 GLY CA C 50 46.932 46.932 47.482 -0.550 19654 7831 1 11 . 1 1 50 50 GLY H H 50 8.132 8.132 7.644 0.488 19654 7832 1 11 . 1 1 51 51 VAL N N 51 121.747 121.747 123.216 -1.469 19654 7833 1 11 . 1 1 51 51 VAL HA H 51 3.944 3.944 4.178 -0.234 19654 7834 1 11 . 1 1 51 51 VAL CA C 51 66.355 66.355 65.923 0.432 19654 7835 1 11 . 1 1 51 51 VAL CB C 51 31.594 31.594 31.680 -0.086 19654 7836 1 11 . 1 1 51 51 VAL H H 51 7.476 7.476 7.905 -0.429 19654 7837 1 11 . 1 1 52 52 GLN N N 52 118.494 118.494 119.270 -0.776 19654 7838 1 11 . 1 1 52 52 GLN HA H 52 3.913 3.913 4.124 -0.211 19654 7839 1 11 . 1 1 52 52 GLN CA C 52 60.391 60.391 59.669 0.722 19654 7840 1 11 . 1 1 52 52 GLN CB C 52 29.682 29.682 28.720 0.962 19654 7841 1 11 . 1 1 52 52 GLN H H 52 8.439 8.439 8.693 -0.254 19654 7842 1 11 . 1 1 53 53 ARG N N 53 116.807 116.807 117.152 -0.345 19654 7843 1 11 . 1 1 53 53 ARG HA H 53 4.163 4.163 4.109 0.054 19654 7844 1 11 . 1 1 53 53 ARG CA C 53 59.086 59.086 58.765 0.321 19654 7845 1 11 . 1 1 53 53 ARG CB C 53 30.009 30.009 30.027 -0.018 19654 7846 1 11 . 1 1 53 53 ARG H H 53 7.873 7.873 8.608 -0.735 19654 7847 1 11 . 1 1 54 54 ASN N N 54 116.356 116.356 114.775 1.581 19654 7848 1 11 . 1 1 54 54 ASN HA H 54 4.448 4.448 4.580 -0.132 19654 7849 1 11 . 1 1 54 54 ASN CA C 54 54.694 54.694 54.941 -0.248 19654 7850 1 11 . 1 1 54 54 ASN CB C 54 38.302 38.302 38.617 -0.316 19654 7851 1 11 . 1 1 54 54 ASN H H 54 8.123 8.123 7.689 0.434 19654 7852 1 11 . 1 1 55 55 HIS N N 55 114.809 114.809 117.971 -3.162 19654 7853 1 11 . 1 1 55 55 HIS HA H 55 4.504 4.504 4.449 0.055 19654 7854 1 11 . 1 1 55 55 HIS CA C 55 55.949 55.949 58.444 -2.495 19654 7855 1 11 . 1 1 55 55 HIS CB C 55 28.341 28.341 30.508 -2.167 19654 7856 1 11 . 1 1 55 55 HIS H H 55 7.558 7.558 8.280 -0.722 19654 7857 1 11 . 1 1 56 56 GLU N N 56 121.943 121.943 120.984 0.959 19654 7858 1 11 . 1 1 56 56 GLU HA H 56 3.640 3.640 4.033 -0.393 19654 7859 1 11 . 1 1 56 56 GLU CA C 56 61.360 61.360 60.535 0.825 19654 7860 1 11 . 1 1 56 56 GLU CB C 56 30.006 30.006 29.567 0.439 19654 7861 1 11 . 1 1 56 56 GLU H H 56 7.071 7.071 8.643 -1.572 19654 7862 1 11 . 1 1 57 57 THR N N 57 112.827 112.827 113.794 -0.967 19654 7863 1 11 . 1 1 57 57 THR HA H 57 3.984 3.984 4.122 -0.138 19654 7864 1 11 . 1 1 57 57 THR CA C 57 66.247 66.247 65.805 0.442 19654 7865 1 11 . 1 1 57 57 THR CB C 57 68.002 68.002 68.473 -0.471 19654 7866 1 11 . 1 1 57 57 THR H H 57 8.324 8.324 8.441 -0.117 19654 7867 1 11 . 1 1 58 58 ALA N N 58 126.520 126.520 124.075 2.445 19654 7868 1 11 . 1 1 58 58 ALA HA H 58 4.147 4.147 4.060 0.087 19654 7869 1 11 . 1 1 58 58 ALA CA C 58 54.707 54.707 54.775 -0.068 19654 7870 1 11 . 1 1 58 58 ALA CB C 58 17.734 17.734 17.875 -0.141 19654 7871 1 11 . 1 1 58 58 ALA H H 58 7.910 7.910 7.463 0.447 19654 7872 1 11 . 1 1 59 59 PHE N N 59 119.326 119.326 118.284 1.042 19654 7873 1 11 . 1 1 59 59 PHE HA H 59 4.518 4.518 4.076 0.442 19654 7874 1 11 . 1 1 59 59 PHE CA C 59 56.946 56.946 59.490 -2.544 19654 7875 1 11 . 1 1 59 59 PHE CB C 59 34.583 34.583 37.527 -2.944 19654 7876 1 11 . 1 1 59 59 PHE H H 59 9.017 9.017 8.014 1.003 19654 7877 1 11 . 1 1 60 60 GLN N N 60 119.670 119.670 118.477 1.193 19654 7878 1 11 . 1 1 60 60 GLN HA H 60 4.232 4.232 4.200 0.032 19654 7879 1 11 . 1 1 60 60 GLN CA C 60 59.359 59.359 59.285 0.074 19654 7880 1 11 . 1 1 60 60 GLN CB C 60 28.009 28.009 28.046 -0.037 19654 7881 1 11 . 1 1 60 60 GLN H H 60 8.678 8.678 8.817 -0.139 19654 7882 1 11 . 1 1 61 61 GLY N N 61 106.140 106.140 105.969 0.171 19654 7883 1 11 . 1 1 61 61 GLY CA C 61 47.085 47.085 46.937 0.148 19654 7884 1 11 . 1 1 61 61 GLY H H 61 7.975 7.975 7.909 0.066 19654 7885 1 11 . 1 1 62 62 MET N N 62 120.973 120.973 120.188 0.785 19654 7886 1 11 . 1 1 62 62 MET HA H 62 4.080 4.080 4.352 -0.272 19654 7887 1 11 . 1 1 62 62 MET CA C 62 58.752 58.752 58.366 0.386 19654 7888 1 11 . 1 1 62 62 MET CB C 62 33.824 33.824 32.829 0.995 19654 7889 1 11 . 1 1 62 62 MET H H 62 8.007 8.007 7.550 0.457 19654 7890 1 11 . 1 1 63 63 LEU N N 63 119.043 119.043 120.453 -1.410 19654 7891 1 11 . 1 1 63 63 LEU HA H 63 4.139 4.139 4.051 0.088 19654 7892 1 11 . 1 1 63 63 LEU CA C 63 57.645 57.645 58.001 -0.356 19654 7893 1 11 . 1 1 63 63 LEU CB C 63 42.173 42.173 40.886 1.287 19654 7894 1 11 . 1 1 63 63 LEU H H 63 8.394 8.394 8.496 -0.102 19654 7895 1 11 . 1 1 64 64 ARG N N 64 117.294 117.294 118.127 -0.833 19654 7896 1 11 . 1 1 64 64 ARG HA H 64 4.090 4.090 4.113 -0.023 19654 7897 1 11 . 1 1 64 64 ARG CA C 64 58.551 58.551 58.493 0.058 19654 7898 1 11 . 1 1 64 64 ARG CB C 64 29.772 29.772 30.153 -0.381 19654 7899 1 11 . 1 1 64 64 ARG H H 64 7.912 7.912 8.070 -0.159 19654 7900 1 11 . 1 1 65 65 LYS N N 65 116.840 116.840 116.018 0.822 19654 7901 1 11 . 1 1 65 65 LYS HA H 65 4.165 4.165 4.466 -0.301 19654 7902 1 11 . 1 1 65 65 LYS CA C 65 57.175 57.175 57.035 0.140 19654 7903 1 11 . 1 1 65 65 LYS CB C 65 32.299 32.299 32.834 -0.535 19654 7904 1 11 . 1 1 65 65 LYS H H 65 7.506 7.506 7.833 -0.327 19654 7905 1 11 . 1 1 66 66 LEU N N 66 119.257 119.257 120.558 -1.301 19654 7906 1 11 . 1 1 66 66 LEU HA H 66 4.232 4.232 4.339 -0.107 19654 7907 1 11 . 1 1 66 66 LEU CA C 66 55.442 55.442 56.495 -1.052 19654 7908 1 11 . 1 1 66 66 LEU CB C 66 43.042 43.042 42.860 0.182 19654 7909 1 11 . 1 1 66 66 LEU H H 66 7.736 7.736 7.635 0.101 19654 7910 1 11 . 1 1 67 67 ASP N N 67 119.743 119.743 114.438 5.305 19654 7911 1 11 . 1 1 67 67 ASP HA H 67 4.457 4.457 4.446 0.011 19654 7912 1 11 . 1 1 67 67 ASP CA C 67 53.850 53.850 57.106 -3.256 19654 7913 1 11 . 1 1 67 67 ASP CB C 67 40.195 40.195 40.861 -0.666 19654 7914 1 11 . 1 1 67 67 ASP H H 67 8.068 8.068 8.017 0.051 19654 7915 1 11 . 1 1 68 68 ILE N N 68 120.055 120.055 117.293 2.762 19654 7916 1 11 . 1 1 68 68 ILE HA H 68 3.870 3.870 3.899 -0.029 19654 7917 1 11 . 1 1 68 68 ILE CA C 68 61.524 61.524 62.216 -0.692 19654 7918 1 11 . 1 1 68 68 ILE CB C 68 37.986 37.986 37.562 0.423 19654 7919 1 11 . 1 1 68 68 ILE H H 68 8.275 8.275 8.336 -0.061 19654 7920 1 11 . 1 1 69 69 LYS N N 69 126.186 126.186 124.589 1.597 19654 7921 1 11 . 1 1 69 69 LYS HA H 69 4.481 4.481 4.539 -0.058 19654 7922 1 11 . 1 1 69 69 LYS CA C 69 56.304 56.304 55.829 0.475 19654 7923 1 11 . 1 1 69 69 LYS CB C 69 34.136 34.136 33.846 0.290 19654 7924 1 11 . 1 1 69 69 LYS H H 69 9.722 9.722 8.868 0.854 19654 7925 1 11 . 1 1 70 70 ASN N N 70 115.056 115.056 115.433 -0.377 19654 7926 1 11 . 1 1 70 70 ASN HA H 70 4.700 4.700 4.784 -0.084 19654 7927 1 11 . 1 1 70 70 ASN CA C 70 51.977 51.977 52.339 -0.361 19654 7928 1 11 . 1 1 70 70 ASN CB C 70 39.474 39.474 39.515 -0.041 19654 7929 1 11 . 1 1 70 70 ASN H H 70 7.959 7.959 8.073 -0.114 19654 7930 1 11 . 1 1 71 71 GLU N N 71 118.214 118.214 120.020 -1.806 19654 7931 1 11 . 1 1 71 71 GLU HA H 71 3.967 3.967 3.923 0.044 19654 7932 1 11 . 1 1 71 71 GLU CA C 71 59.354 59.354 59.364 -0.009 19654 7933 1 11 . 1 1 71 71 GLU CB C 71 29.520 29.520 29.647 -0.127 19654 7934 1 11 . 1 1 71 71 GLU H H 71 8.831 8.831 8.883 -0.052 19654 7935 1 11 . 1 1 72 72 ASP N N 72 120.319 120.319 118.612 1.707 19654 7936 1 11 . 1 1 72 72 ASP HA H 72 4.422 4.422 4.363 0.059 19654 7937 1 11 . 1 1 72 72 ASP CA C 72 57.036 57.036 57.470 -0.434 19654 7938 1 11 . 1 1 72 72 ASP CB C 72 39.945 39.945 40.442 -0.497 19654 7939 1 11 . 1 1 72 72 ASP H H 72 8.167 8.167 8.730 -0.563 19654 7940 1 11 . 1 1 73 73 ASP N N 73 119.793 119.793 119.584 0.209 19654 7941 1 11 . 1 1 73 73 ASP HA H 73 4.521 4.521 4.415 0.106 19654 7942 1 11 . 1 1 73 73 ASP CA C 73 56.337 56.337 57.269 -0.931 19654 7943 1 11 . 1 1 73 73 ASP CB C 73 41.927 41.927 40.752 1.175 19654 7944 1 11 . 1 1 73 73 ASP H H 73 8.153 8.153 7.824 0.329 19654 7945 1 11 . 1 1 74 74 VAL N N 74 117.572 117.572 120.340 -2.768 19654 7946 1 11 . 1 1 74 74 VAL HA H 74 3.714 3.714 3.630 0.084 19654 7947 1 11 . 1 1 74 74 VAL CA C 74 65.498 65.498 66.192 -0.694 19654 7948 1 11 . 1 1 74 74 VAL CB C 74 31.077 31.077 31.057 0.020 19654 7949 1 11 . 1 1 74 74 VAL H H 74 7.629 7.629 7.460 0.169 19654 7950 1 11 . 1 1 75 75 LYS N N 75 119.403 119.403 119.144 0.259 19654 7951 1 11 . 1 1 75 75 LYS HA H 75 4.154 4.154 4.026 0.128 19654 7952 1 11 . 1 1 75 75 LYS CA C 75 59.034 59.034 59.703 -0.668 19654 7953 1 11 . 1 1 75 75 LYS CB C 75 31.909 31.909 32.014 -0.105 19654 7954 1 11 . 1 1 75 75 LYS H H 75 7.961 7.961 8.552 -0.591 19654 7955 1 11 . 1 1 76 76 SER N N 76 114.355 114.355 115.133 -0.778 19654 7956 1 11 . 1 1 76 76 SER HA H 76 4.453 4.453 4.299 0.154 19654 7957 1 11 . 1 1 76 76 SER CA C 76 60.061 60.061 60.696 -0.635 19654 7958 1 11 . 1 1 76 76 SER CB C 76 63.023 63.023 62.849 0.174 19654 7959 1 11 . 1 1 76 76 SER H H 76 7.919 7.919 7.649 0.270 19654 7960 1 11 . 1 1 77 77 LEU N N 77 121.954 121.954 121.727 0.227 19654 7961 1 11 . 1 1 77 77 LEU HA H 77 4.230 4.230 4.006 0.224 19654 7962 1 11 . 1 1 77 77 LEU CA C 77 56.764 56.764 57.794 -1.030 19654 7963 1 11 . 1 1 77 77 LEU CB C 77 41.695 41.695 41.477 0.218 19654 7964 1 11 . 1 1 77 77 LEU H H 77 7.883 7.883 8.345 -0.462 19654 7965 1 11 . 1 1 78 78 SER N N 78 115.268 115.268 114.188 1.080 19654 7966 1 11 . 1 1 78 78 SER HA H 78 3.962 3.962 4.047 -0.085 19654 7967 1 11 . 1 1 78 78 SER CA C 78 62.337 62.337 61.987 0.350 19654 7968 1 11 . 1 1 78 78 SER CB C 78 62.218 62.218 62.965 -0.748 19654 7969 1 11 . 1 1 78 78 SER H H 78 8.185 8.185 7.951 0.234 19654 7970 1 11 . 1 1 79 79 ARG N N 79 119.021 119.021 119.517 -0.496 19654 7971 1 11 . 1 1 79 79 ARG HA H 79 4.090 4.090 4.052 0.038 19654 7972 1 11 . 1 1 79 79 ARG CA C 79 58.849 58.849 58.824 0.025 19654 7973 1 11 . 1 1 79 79 ARG CB C 79 29.930 29.930 29.587 0.344 19654 7974 1 11 . 1 1 79 79 ARG H H 79 7.684 7.684 7.668 0.016 19654 7975 1 11 . 1 1 80 80 VAL N N 80 116.979 116.979 120.201 -3.222 19654 7976 1 11 . 1 1 80 80 VAL HA H 80 3.953 3.953 3.905 0.048 19654 7977 1 11 . 1 1 80 80 VAL CA C 80 64.228 64.228 66.084 -1.856 19654 7978 1 11 . 1 1 80 80 VAL CB C 80 32.210 32.210 31.788 0.422 19654 7979 1 11 . 1 1 80 80 VAL H H 80 7.479 7.479 7.302 0.177 19654 7980 1 11 . 1 1 81 81 MET N N 81 117.822 117.822 118.771 -0.949 19654 7981 1 11 . 1 1 81 81 MET HA H 81 4.053 4.053 4.114 -0.061 19654 7982 1 11 . 1 1 81 81 MET CA C 81 58.322 58.322 57.581 0.741 19654 7983 1 11 . 1 1 81 81 MET CB C 81 32.555 32.555 31.468 1.087 19654 7984 1 11 . 1 1 81 81 MET H H 81 8.104 8.104 8.291 -0.187 19654 7985 1 11 . 1 1 82 82 ILE N N 82 116.348 116.348 117.377 -1.029 19654 7986 1 11 . 1 1 82 82 ILE HA H 82 3.815 3.815 3.757 0.058 19654 7987 1 11 . 1 1 82 82 ILE CA C 82 63.653 63.653 64.884 -1.231 19654 7988 1 11 . 1 1 82 82 ILE CB C 82 37.879 37.879 37.374 0.505 19654 7989 1 11 . 1 1 82 82 ILE H H 82 7.789 7.789 7.920 -0.131 19654 7990 1 11 . 1 1 83 83 HIS N N 83 118.994 118.994 118.333 0.661 19654 7991 1 11 . 1 1 83 83 HIS HA H 83 4.409 4.409 4.488 -0.079 19654 7992 1 11 . 1 1 83 83 HIS CA C 83 58.245 58.245 58.416 -0.171 19654 7993 1 11 . 1 1 83 83 HIS CB C 83 29.735 29.735 29.213 0.522 19654 7994 1 11 . 1 1 83 83 HIS H H 83 7.543 7.543 7.504 0.039 19654 7995 1 11 . 1 1 84 84 VAL N N 84 117.112 117.112 119.398 -2.286 19654 7996 1 11 . 1 1 84 84 VAL HA H 84 3.631 3.631 3.676 -0.045 19654 7997 1 11 . 1 1 84 84 VAL CA C 84 64.628 64.628 65.591 -0.963 19654 7998 1 11 . 1 1 84 84 VAL CB C 84 31.904 31.904 30.519 1.385 19654 7999 1 11 . 1 1 84 84 VAL H H 84 7.713 7.713 7.856 -0.143 19654 8000 1 11 . 1 1 85 85 PHE N N 85 115.531 115.531 116.120 -0.589 19654 8001 1 11 . 1 1 85 85 PHE HA H 85 4.733 4.733 4.616 0.117 19654 8002 1 11 . 1 1 85 85 PHE CA C 85 57.326 57.326 57.590 -0.264 19654 8003 1 11 . 1 1 85 85 PHE CB C 85 39.507 39.507 38.038 1.470 19654 8004 1 11 . 1 1 85 85 PHE H H 85 7.743 7.743 7.443 0.300 19654 8005 1 11 . 1 1 86 86 SER N N 86 114.812 114.812 116.903 -2.091 19654 8006 1 11 . 1 1 86 86 SER HA H 86 4.275 4.275 4.270 0.005 19654 8007 1 11 . 1 1 86 86 SER CA C 86 59.832 59.832 60.570 -0.738 19654 8008 1 11 . 1 1 86 86 SER CB C 86 63.482 63.482 62.960 0.522 19654 8009 1 11 . 1 1 86 86 SER H H 86 7.634 7.634 8.028 -0.394 19654 8010 1 11 . 1 1 87 87 ASP N N 87 120.986 120.986 120.237 0.749 19654 8011 1 11 . 1 1 87 87 ASP HA H 87 4.491 4.491 4.467 0.024 19654 8012 1 11 . 1 1 87 87 ASP CA C 87 54.032 54.032 55.743 -1.711 19654 8013 1 11 . 1 1 87 87 ASP CB C 87 40.411 40.411 40.828 -0.417 19654 8014 1 11 . 1 1 87 87 ASP H H 87 8.043 8.043 8.066 -0.023 19654 8015 1 11 . 1 1 88 88 GLY N N 88 108.171 108.171 107.894 0.277 19654 8016 1 11 . 1 1 88 88 GLY CA C 88 44.981 44.981 45.455 -0.473 19654 8017 1 11 . 1 1 88 88 GLY H H 88 8.163 8.163 7.922 0.241 19654 8018 1 11 . 1 1 89 89 VAL N N 89 121.716 121.716 116.503 5.213 19654 8019 1 11 . 1 1 89 89 VAL HA H 89 3.879 3.879 4.009 -0.130 19654 8020 1 11 . 1 1 89 89 VAL CA C 89 62.471 62.471 62.509 -0.038 19654 8021 1 11 . 1 1 89 89 VAL CB C 89 32.418 32.418 32.498 -0.080 19654 8022 1 11 . 1 1 89 89 VAL H H 89 7.886 7.886 7.322 0.564 19654 8023 1 11 . 1 1 90 90 THR N N 90 121.669 121.669 113.100 8.569 19654 8024 1 11 . 1 1 90 90 THR HA H 90 3.657 3.657 3.863 -0.206 19654 8025 1 11 . 1 1 90 90 THR CA C 90 62.473 62.473 62.553 -0.080 19654 8026 1 11 . 1 1 90 90 THR CB C 90 68.528 68.528 68.836 -0.308 19654 8027 1 11 . 1 1 90 90 THR H H 90 8.201 8.201 7.894 0.307 19654 8028 1 11 . 1 1 91 91 ASN HA H 91 4.162 4.162 4.057 0.105 19654 8029 1 11 . 1 1 91 91 ASN CA C 91 51.748 51.748 54.035 -2.287 19654 8030 1 11 . 1 1 91 91 ASN CB C 91 39.645 39.645 38.786 0.859 19654 8031 1 11 . 1 1 91 91 ASN H H 91 8.826 8.826 8.138 0.688 19654 8032 1 11 . 1 1 92 92 TRP N N 92 118.437 118.437 120.112 -1.675 19654 8033 1 11 . 1 1 92 92 TRP HA H 92 4.739 4.739 4.622 0.117 19654 8034 1 11 . 1 1 92 92 TRP CA C 92 60.233 60.233 57.945 2.288 19654 8035 1 11 . 1 1 92 92 TRP CB C 92 30.167 30.167 29.014 1.153 19654 8036 1 11 . 1 1 92 92 TRP H H 92 8.942 8.942 8.178 0.764 19654 8037 1 11 . 1 1 93 93 GLY N N 93 108.154 108.154 110.003 -1.849 19654 8038 1 11 . 1 1 93 93 GLY CA C 93 47.544 47.544 47.087 0.457 19654 8039 1 11 . 1 1 93 93 GLY H H 93 8.697 8.697 8.566 0.131 19654 8040 1 11 . 1 1 94 94 ARG N N 94 122.547 122.547 120.319 2.228 19654 8041 1 11 . 1 1 94 94 ARG HA H 94 4.072 4.072 4.018 0.054 19654 8042 1 11 . 1 1 94 94 ARG CA C 94 58.556 58.556 59.028 -0.472 19654 8043 1 11 . 1 1 94 94 ARG CB C 94 30.201 30.201 29.669 0.531 19654 8044 1 11 . 1 1 94 94 ARG H H 94 8.353 8.353 7.537 0.816 19654 8045 1 11 . 1 1 95 95 ILE N N 95 120.130 120.130 120.323 -0.193 19654 8046 1 11 . 1 1 95 95 ILE HA H 95 3.708 3.708 4.109 -0.401 19654 8047 1 11 . 1 1 95 95 ILE CA C 95 65.511 65.511 63.200 2.311 19654 8048 1 11 . 1 1 95 95 ILE CB C 95 37.486 37.486 36.900 0.586 19654 8049 1 11 . 1 1 95 95 ILE H H 95 7.545 7.545 7.723 -0.178 19654 8050 1 11 . 1 1 96 96 VAL N N 96 119.403 119.403 120.836 -1.433 19654 8051 1 11 . 1 1 96 96 VAL HA H 96 3.723 3.723 3.603 0.120 19654 8052 1 11 . 1 1 96 96 VAL CA C 96 67.249 67.249 67.493 -0.244 19654 8053 1 11 . 1 1 96 96 VAL CB C 96 31.001 31.001 31.258 -0.257 19654 8054 1 11 . 1 1 96 96 VAL H H 96 8.990 8.990 8.186 0.804 19654 8055 1 11 . 1 1 97 97 THR N N 97 122.016 122.016 117.229 4.787 19654 8056 1 11 . 1 1 97 97 THR HA H 97 3.784 3.784 4.050 -0.266 19654 8057 1 11 . 1 1 97 97 THR CA C 97 68.159 68.159 66.636 1.523 19654 8058 1 11 . 1 1 97 97 THR CB C 97 67.212 67.212 68.683 -1.471 19654 8059 1 11 . 1 1 97 97 THR H H 97 8.605 8.605 8.090 0.515 19654 8060 1 11 . 1 1 98 98 LEU N N 98 122.476 122.476 123.718 -1.242 19654 8061 1 11 . 1 1 98 98 LEU HA H 98 3.805 3.805 4.013 -0.208 19654 8062 1 11 . 1 1 98 98 LEU CA C 98 58.818 58.818 58.235 0.583 19654 8063 1 11 . 1 1 98 98 LEU CB C 98 41.158 41.158 41.815 -0.657 19654 8064 1 11 . 1 1 98 98 LEU H H 98 7.769 7.769 7.655 0.114 19654 8065 1 11 . 1 1 99 99 ILE N N 99 117.997 117.997 117.667 0.330 19654 8066 1 11 . 1 1 99 99 ILE HA H 99 3.509 3.509 3.668 -0.159 19654 8067 1 11 . 1 1 99 99 ILE CA C 99 66.261 66.261 65.626 0.635 19654 8068 1 11 . 1 1 99 99 ILE CB C 99 38.350 38.350 37.418 0.932 19654 8069 1 11 . 1 1 99 99 ILE H H 99 8.175 8.175 8.273 -0.098 19654 8070 1 11 . 1 1 100 100 SER N N 100 116.934 116.934 117.302 -0.368 19654 8071 1 11 . 1 1 100 100 SER HA H 100 4.447 4.447 4.428 0.019 19654 8072 1 11 . 1 1 100 100 SER CA C 100 63.290 63.290 62.153 1.137 19654 8073 1 11 . 1 1 100 100 SER CB C 100 62.867 62.867 63.202 -0.335 19654 8074 1 11 . 1 1 100 100 SER H H 100 8.989 8.989 8.588 0.401 19654 8075 1 11 . 1 1 101 101 PHE N N 101 124.640 124.640 124.053 0.587 19654 8076 1 11 . 1 1 101 101 PHE HA H 101 3.420 3.420 3.709 -0.289 19654 8077 1 11 . 1 1 101 101 PHE CA C 101 60.499 60.499 59.467 1.032 19654 8078 1 11 . 1 1 101 101 PHE CB C 101 37.333 37.333 38.358 -1.025 19654 8079 1 11 . 1 1 101 101 PHE H H 101 8.513 8.513 8.471 0.042 19654 8080 1 11 . 1 1 102 102 GLY N N 102 106.116 106.116 106.993 -0.877 19654 8081 1 11 . 1 1 102 102 GLY CA C 102 48.166 48.166 47.003 1.163 19654 8082 1 11 . 1 1 102 102 GLY H H 102 8.111 8.111 8.413 -0.302 19654 8083 1 11 . 1 1 103 103 ALA N N 103 124.560 124.560 124.434 0.126 19654 8084 1 11 . 1 1 103 103 ALA HA H 103 3.780 3.780 3.953 -0.173 19654 8085 1 11 . 1 1 103 103 ALA CA C 103 55.646 55.646 54.639 1.007 19654 8086 1 11 . 1 1 103 103 ALA CB C 103 18.476 18.476 18.528 -0.052 19654 8087 1 11 . 1 1 103 103 ALA H H 103 8.437 8.437 8.198 0.239 19654 8088 1 11 . 1 1 104 104 PHE N N 104 120.981 120.981 119.958 1.023 19654 8089 1 11 . 1 1 104 104 PHE HA H 104 3.989 3.989 4.127 -0.138 19654 8090 1 11 . 1 1 104 104 PHE CA C 104 62.258 62.258 61.957 0.301 19654 8091 1 11 . 1 1 104 104 PHE CB C 104 39.949 39.949 39.335 0.614 19654 8092 1 11 . 1 1 104 104 PHE H H 104 8.213 8.213 7.978 0.235 19654 8093 1 11 . 1 1 105 105 VAL N N 105 120.473 120.473 119.082 1.391 19654 8094 1 11 . 1 1 105 105 VAL HA H 105 3.236 3.236 3.517 -0.281 19654 8095 1 11 . 1 1 105 105 VAL CA C 105 66.348 66.348 66.556 -0.208 19654 8096 1 11 . 1 1 105 105 VAL CB C 105 30.720 30.720 31.039 -0.319 19654 8097 1 11 . 1 1 105 105 VAL H H 105 8.513 8.513 8.169 0.344 19654 8098 1 11 . 1 1 106 106 ALA N N 106 123.948 123.948 122.962 0.986 19654 8099 1 11 . 1 1 106 106 ALA HA H 106 3.660 3.660 3.800 -0.140 19654 8100 1 11 . 1 1 106 106 ALA CA C 106 55.607 55.607 55.530 0.077 19654 8101 1 11 . 1 1 106 106 ALA CB C 106 18.003 18.003 18.035 -0.032 19654 8102 1 11 . 1 1 106 106 ALA H H 106 8.807 8.807 8.100 0.707 19654 8103 1 11 . 1 1 107 107 LYS N N 107 115.836 115.836 118.389 -2.553 19654 8104 1 11 . 1 1 107 107 LYS HA H 107 3.733 3.733 3.839 -0.106 19654 8105 1 11 . 1 1 107 107 LYS CA C 107 60.462 60.462 59.755 0.707 19654 8106 1 11 . 1 1 107 107 LYS CB C 107 31.907 31.907 32.025 -0.118 19654 8107 1 11 . 1 1 107 107 LYS H H 107 7.934 7.934 7.711 0.223 19654 8108 1 11 . 1 1 108 108 HIS N N 108 120.459 120.459 119.379 1.080 19654 8109 1 11 . 1 1 108 108 HIS HA H 108 4.212 4.212 4.276 -0.064 19654 8110 1 11 . 1 1 108 108 HIS CA C 108 59.623 59.623 59.289 0.334 19654 8111 1 11 . 1 1 108 108 HIS CB C 108 29.838 29.838 29.655 0.183 19654 8112 1 11 . 1 1 108 108 HIS H H 108 7.254 7.254 7.406 -0.152 19654 8113 1 11 . 1 1 109 109 LEU N N 109 118.336 118.336 120.265 -1.929 19654 8114 1 11 . 1 1 109 109 LEU HA H 109 3.640 3.640 3.910 -0.270 19654 8115 1 11 . 1 1 109 109 LEU CA C 109 56.945 56.945 57.765 -0.820 19654 8116 1 11 . 1 1 109 109 LEU CB C 109 39.709 39.709 41.862 -2.153 19654 8117 1 11 . 1 1 109 109 LEU H H 109 8.709 8.709 8.344 0.365 19654 8118 1 11 . 1 1 110 110 LYS N N 110 118.036 118.036 119.144 -1.108 19654 8119 1 11 . 1 1 110 110 LYS HA H 110 3.944 3.944 3.943 0.001 19654 8120 1 11 . 1 1 110 110 LYS CA C 110 58.967 58.967 59.573 -0.606 19654 8121 1 11 . 1 1 110 110 LYS CB C 110 32.220 32.220 32.284 -0.064 19654 8122 1 11 . 1 1 110 110 LYS H H 110 7.752 7.752 8.310 -0.558 19654 8123 1 11 . 1 1 111 111 THR N N 111 115.985 115.985 116.410 -0.425 19654 8124 1 11 . 1 1 111 111 THR HA H 111 3.990 3.990 3.993 -0.003 19654 8125 1 11 . 1 1 111 111 THR CA C 111 65.921 65.921 65.975 -0.054 19654 8126 1 11 . 1 1 111 111 THR CB C 111 68.611 68.611 68.694 -0.083 19654 8127 1 11 . 1 1 111 111 THR H H 111 7.832 7.832 8.054 -0.222 19654 8128 1 11 . 1 1 112 112 ILE N N 112 112.606 112.606 116.361 -3.755 19654 8129 1 11 . 1 1 112 112 ILE HA H 112 4.454 4.454 4.372 0.082 19654 8130 1 11 . 1 1 112 112 ILE CA C 112 60.922 60.922 60.239 0.683 19654 8131 1 11 . 1 1 112 112 ILE CB C 112 36.813 36.813 36.711 0.102 19654 8132 1 11 . 1 1 112 112 ILE H H 112 7.262 7.262 7.249 0.013 19654 8133 1 11 . 1 1 113 113 ASN N N 113 116.297 116.297 114.872 1.425 19654 8134 1 11 . 1 1 113 113 ASN HA H 113 4.576 4.576 4.368 0.208 19654 8135 1 11 . 1 1 113 113 ASN CA C 113 54.653 54.653 54.512 0.141 19654 8136 1 11 . 1 1 113 113 ASN CB C 113 36.497 36.497 36.350 0.147 19654 8137 1 11 . 1 1 113 113 ASN H H 113 7.816 7.816 7.889 -0.073 19654 8138 1 11 . 1 1 114 114 GLN N N 114 117.958 117.958 117.287 0.671 19654 8139 1 11 . 1 1 114 114 GLN HA H 114 4.739 4.739 4.348 0.391 19654 8140 1 11 . 1 1 114 114 GLN CA C 114 54.079 54.079 54.916 -0.837 19654 8141 1 11 . 1 1 114 114 GLN CB C 114 28.840 28.840 28.120 0.720 19654 8142 1 11 . 1 1 114 114 GLN H H 114 8.522 8.522 8.313 0.209 19654 8143 1 11 . 1 1 115 115 GLU N N 115 120.597 120.597 121.450 -0.853 19654 8144 1 11 . 1 1 115 115 GLU HA H 115 3.646 3.646 3.912 -0.266 19654 8145 1 11 . 1 1 115 115 GLU CA C 115 59.569 59.569 59.711 -0.142 19654 8146 1 11 . 1 1 115 115 GLU CB C 115 29.061 29.061 29.241 -0.180 19654 8147 1 11 . 1 1 115 115 GLU H H 115 8.881 8.881 8.580 0.301 19654 8148 1 11 . 1 1 116 116 SER N N 116 115.352 115.352 114.247 1.105 19654 8149 1 11 . 1 1 116 116 SER HA H 116 4.250 4.250 4.132 0.118 19654 8150 1 11 . 1 1 116 116 SER CA C 116 60.593 60.593 61.052 -0.459 19654 8151 1 11 . 1 1 116 116 SER CB C 116 62.231 62.231 62.562 -0.331 19654 8152 1 11 . 1 1 116 116 SER H H 116 8.702 8.702 8.529 0.173 19654 8153 1 11 . 1 1 117 117 SER N N 117 116.944 116.944 117.826 -0.882 19654 8154 1 11 . 1 1 117 117 SER HA H 117 4.461 4.461 4.250 0.211 19654 8155 1 11 . 1 1 117 117 SER CA C 117 60.219 60.219 60.609 -0.390 19654 8156 1 11 . 1 1 117 117 SER CB C 117 64.116 64.116 62.724 1.392 19654 8157 1 11 . 1 1 117 117 SER H H 117 7.963 7.963 7.822 0.141 19654 8158 1 11 . 1 1 118 118 ILE N N 118 122.505 122.505 121.271 1.234 19654 8159 1 11 . 1 1 118 118 ILE HA H 118 3.419 3.419 3.601 -0.182 19654 8160 1 11 . 1 1 118 118 ILE CA C 118 66.227 66.227 65.045 1.182 19654 8161 1 11 . 1 1 118 118 ILE CB C 118 36.723 36.723 37.575 -0.852 19654 8162 1 11 . 1 1 118 118 ILE H H 118 7.945 7.945 7.435 0.510 19654 8163 1 11 . 1 1 119 119 GLU N N 119 119.604 119.604 119.635 -0.031 19654 8164 1 11 . 1 1 119 119 GLU HA H 119 4.244 4.244 4.234 0.010 19654 8165 1 11 . 1 1 119 119 GLU CA C 119 61.540 61.540 61.072 0.468 19654 8166 1 11 . 1 1 119 119 GLU CB C 119 26.092 26.092 27.879 -1.787 19654 8167 1 11 . 1 1 119 119 GLU H H 119 8.244 8.244 7.778 0.466 19654 8168 1 11 . 1 1 120 120 PRO HA H 120 4.446 4.446 4.571 -0.125 19654 8169 1 11 . 1 1 120 120 PRO CA C 120 65.583 65.583 65.499 0.085 19654 8170 1 11 . 1 1 120 120 PRO CB C 120 30.167 30.167 31.501 -1.334 19654 8171 1 11 . 1 1 121 121 LEU N N 121 120.974 120.974 119.777 1.197 19654 8172 1 11 . 1 1 121 121 LEU HA H 121 3.990 3.990 4.061 -0.071 19654 8173 1 11 . 1 1 121 121 LEU CA C 121 58.436 58.436 57.705 0.731 19654 8174 1 11 . 1 1 121 121 LEU CB C 121 40.988 40.988 41.654 -0.666 19654 8175 1 11 . 1 1 121 121 LEU H H 121 7.587 7.587 8.101 -0.514 19654 8176 1 11 . 1 1 122 122 ALA N N 122 121.982 121.982 121.350 0.632 19654 8177 1 11 . 1 1 122 122 ALA HA H 122 3.743 3.743 3.901 -0.158 19654 8178 1 11 . 1 1 122 122 ALA CA C 122 55.233 55.233 55.264 -0.031 19654 8179 1 11 . 1 1 122 122 ALA CB C 122 17.687 17.687 17.890 -0.203 19654 8180 1 11 . 1 1 122 122 ALA H H 122 8.593 8.593 8.232 0.361 19654 8181 1 11 . 1 1 123 123 GLU N N 123 120.516 120.516 118.928 1.588 19654 8182 1 11 . 1 1 123 123 GLU HA H 123 3.862 3.862 3.993 -0.131 19654 8183 1 11 . 1 1 123 123 GLU CA C 123 59.995 59.995 59.503 0.492 19654 8184 1 11 . 1 1 123 123 GLU CB C 123 29.298 29.298 29.511 -0.213 19654 8185 1 11 . 1 1 123 123 GLU H H 123 8.568 8.568 8.338 0.230 19654 8186 1 11 . 1 1 124 124 SER N N 124 116.054 116.054 115.844 0.210 19654 8187 1 11 . 1 1 124 124 SER HA H 124 4.367 4.367 4.254 0.113 19654 8188 1 11 . 1 1 124 124 SER CA C 124 62.240 62.240 62.200 0.040 19654 8189 1 11 . 1 1 124 124 SER CB C 124 63.074 63.074 62.916 0.158 19654 8190 1 11 . 1 1 124 124 SER H H 124 8.282 8.282 8.003 0.279 19654 8191 1 11 . 1 1 125 125 ILE N N 125 120.575 120.575 122.105 -1.530 19654 8192 1 11 . 1 1 125 125 ILE HA H 125 3.627 3.627 3.828 -0.201 19654 8193 1 11 . 1 1 125 125 ILE CA C 125 64.655 64.655 64.498 0.157 19654 8194 1 11 . 1 1 125 125 ILE CB C 125 37.413 37.413 37.081 0.332 19654 8195 1 11 . 1 1 125 125 ILE H H 125 8.343 8.343 8.568 -0.225 19654 8196 1 11 . 1 1 126 126 THR N N 126 116.459 116.459 115.472 0.987 19654 8197 1 11 . 1 1 126 126 THR HA H 126 3.482 3.482 3.949 -0.467 19654 8198 1 11 . 1 1 126 126 THR CA C 126 68.679 68.679 67.425 1.254 19654 8199 1 11 . 1 1 126 126 THR CB C 126 67.075 67.075 68.086 -1.011 19654 8200 1 11 . 1 1 126 126 THR H H 126 8.056 8.056 8.362 -0.306 19654 8201 1 11 . 1 1 127 127 ASP N N 127 120.236 120.236 122.689 -2.453 19654 8202 1 11 . 1 1 127 127 ASP HA H 127 4.481 4.481 4.661 -0.180 19654 8203 1 11 . 1 1 127 127 ASP CA C 127 58.322 58.322 58.001 0.321 19654 8204 1 11 . 1 1 127 127 ASP CB C 127 41.822 41.822 41.068 0.754 19654 8205 1 11 . 1 1 127 127 ASP H H 127 8.813 8.813 8.354 0.459 19654 8206 1 11 . 1 1 128 128 VAL N N 128 116.904 116.904 119.654 -2.750 19654 8207 1 11 . 1 1 128 128 VAL HA H 128 3.677 3.677 3.684 -0.007 19654 8208 1 11 . 1 1 128 128 VAL CA C 128 66.346 66.346 66.211 0.135 19654 8209 1 11 . 1 1 128 128 VAL CB C 128 31.351 31.351 31.832 -0.481 19654 8210 1 11 . 1 1 128 128 VAL H H 128 7.949 7.949 8.081 -0.132 19654 8211 1 11 . 1 1 129 129 LEU N N 129 121.043 121.043 120.864 0.179 19654 8212 1 11 . 1 1 129 129 LEU HA H 129 3.819 3.819 3.983 -0.164 19654 8213 1 11 . 1 1 129 129 LEU CA C 129 58.742 58.742 58.109 0.633 19654 8214 1 11 . 1 1 129 129 LEU CB C 129 42.370 42.370 42.093 0.277 19654 8215 1 11 . 1 1 129 129 LEU H H 129 8.198 8.198 7.401 0.797 19654 8216 1 11 . 1 1 130 130 VAL N N 130 114.370 114.370 118.120 -3.750 19654 8217 1 11 . 1 1 130 130 VAL HA H 130 3.525 3.525 3.737 -0.212 19654 8218 1 11 . 1 1 130 130 VAL CA C 130 66.004 66.004 66.019 -0.015 19654 8219 1 11 . 1 1 130 130 VAL CB C 130 31.320 31.320 31.591 -0.272 19654 8220 1 11 . 1 1 130 130 VAL H H 130 8.858 8.858 8.321 0.537 19654 8221 1 11 . 1 1 131 131 ARG N N 131 115.890 115.890 120.579 -4.689 19654 8222 1 11 . 1 1 131 131 ARG HA H 131 4.284 4.284 4.102 0.182 19654 8223 1 11 . 1 1 131 131 ARG CA C 131 59.255 59.255 59.178 0.077 19654 8224 1 11 . 1 1 131 131 ARG CB C 131 30.009 30.009 30.156 -0.147 19654 8225 1 11 . 1 1 131 131 ARG H H 131 8.619 8.619 8.518 0.101 19654 8226 1 11 . 1 1 132 132 THR N N 132 106.654 106.654 108.437 -1.783 19654 8227 1 11 . 1 1 132 132 THR HA H 132 4.464 4.464 4.450 0.014 19654 8228 1 11 . 1 1 132 132 THR CA C 132 64.081 64.081 63.190 0.892 19654 8229 1 11 . 1 1 132 132 THR CB C 132 69.870 69.870 69.748 0.122 19654 8230 1 11 . 1 1 132 132 THR H H 132 7.530 7.530 7.810 -0.280 19654 8231 1 11 . 1 1 133 133 LYS N N 133 117.426 117.426 122.134 -4.708 19654 8232 1 11 . 1 1 133 133 LYS HA H 133 5.029 5.029 4.857 0.172 19654 8233 1 11 . 1 1 133 133 LYS CA C 133 53.009 53.009 55.028 -2.019 19654 8234 1 11 . 1 1 133 133 LYS CB C 133 31.044 31.044 31.949 -0.905 19654 8235 1 11 . 1 1 133 133 LYS H H 133 7.691 7.691 7.736 -0.045 19654 8236 1 11 . 1 1 134 134 ARG N N 134 120.904 120.904 121.662 -0.758 19654 8237 1 11 . 1 1 134 134 ARG HA H 134 3.679 3.679 3.898 -0.220 19654 8238 1 11 . 1 1 134 134 ARG CA C 134 61.456 61.456 59.952 1.504 19654 8239 1 11 . 1 1 134 134 ARG CB C 134 30.261 30.261 29.674 0.587 19654 8240 1 11 . 1 1 134 134 ARG H H 134 7.341 7.341 7.761 -0.420 19654 8241 1 11 . 1 1 135 135 ASP N N 135 114.262 114.262 118.702 -4.440 19654 8242 1 11 . 1 1 135 135 ASP HA H 135 4.238 4.238 4.380 -0.142 19654 8243 1 11 . 1 1 135 135 ASP CA C 135 57.595 57.595 57.803 -0.208 19654 8244 1 11 . 1 1 135 135 ASP CB C 135 39.961 39.961 39.939 0.022 19654 8245 1 11 . 1 1 135 135 ASP H H 135 8.386 8.386 8.657 -0.271 19654 8246 1 11 . 1 1 136 136 TRP N N 136 121.564 121.564 120.354 1.210 19654 8247 1 11 . 1 1 136 136 TRP HA H 136 3.858 3.858 4.305 -0.447 19654 8248 1 11 . 1 1 136 136 TRP CA C 136 62.373 62.373 60.120 2.253 19654 8249 1 11 . 1 1 136 136 TRP CB C 136 28.807 28.807 29.183 -0.376 19654 8250 1 11 . 1 1 136 136 TRP H H 136 7.844 7.844 7.772 0.072 19654 8251 1 11 . 1 1 137 137 LEU N N 137 117.395 117.395 119.075 -1.680 19654 8252 1 11 . 1 1 137 137 LEU HA H 137 3.461 3.461 3.858 -0.397 19654 8253 1 11 . 1 1 137 137 LEU CA C 137 58.325 58.325 58.162 0.163 19654 8254 1 11 . 1 1 137 137 LEU CB C 137 42.979 42.979 41.395 1.584 19654 8255 1 11 . 1 1 137 137 LEU H H 137 8.623 8.623 8.643 -0.020 19654 8256 1 11 . 1 1 138 138 VAL N N 138 118.341 118.341 118.110 0.231 19654 8257 1 11 . 1 1 138 138 VAL HA H 138 3.586 3.586 3.816 -0.230 19654 8258 1 11 . 1 1 138 138 VAL CA C 138 66.501 66.501 65.428 1.073 19654 8259 1 11 . 1 1 138 138 VAL CB C 138 31.588 31.588 31.794 -0.206 19654 8260 1 11 . 1 1 138 138 VAL H H 138 8.631 8.631 7.633 0.998 19654 8261 1 11 . 1 1 139 139 LYS N N 139 122.096 122.096 119.694 2.402 19654 8262 1 11 . 1 1 139 139 LYS HA H 139 3.941 3.941 4.007 -0.066 19654 8263 1 11 . 1 1 139 139 LYS CA C 139 58.925 58.925 58.867 0.058 19654 8264 1 11 . 1 1 139 139 LYS CB C 139 31.752 31.752 32.163 -0.412 19654 8265 1 11 . 1 1 139 139 LYS H H 139 7.695 7.695 8.366 -0.671 19654 8266 1 11 . 1 1 140 140 GLN N N 140 115.416 115.416 115.104 0.312 19654 8267 1 11 . 1 1 140 140 GLN HA H 140 3.970 3.970 4.512 -0.542 19654 8268 1 11 . 1 1 140 140 GLN CA C 140 54.309 54.309 54.181 0.127 19654 8269 1 11 . 1 1 140 140 GLN CB C 140 27.174 27.174 29.528 -2.354 19654 8270 1 11 . 1 1 140 140 GLN H H 140 7.344 7.344 7.936 -0.592 19654 8271 1 11 . 1 1 141 141 ARG N N 141 110.160 110.160 116.403 -6.243 19654 8272 1 11 . 1 1 141 141 ARG HA H 141 3.899 3.899 3.929 -0.030 19654 8273 1 11 . 1 1 141 141 ARG CA C 141 57.400 57.400 56.416 0.984 19654 8274 1 11 . 1 1 141 141 ARG CB C 141 25.640 25.640 27.582 -1.942 19654 8275 1 11 . 1 1 141 141 ARG H H 141 7.677 7.677 7.209 0.468 19654 8276 1 11 . 1 1 142 142 GLY N N 142 107.741 107.741 107.710 0.031 19654 8277 1 11 . 1 1 142 142 GLY CA C 142 45.633 45.633 46.583 -0.950 19654 8278 1 11 . 1 1 142 142 GLY H H 142 8.931 8.931 8.500 0.431 19654 8279 1 11 . 1 1 143 143 TRP N N 143 123.871 123.871 120.432 3.439 19654 8280 1 11 . 1 1 143 143 TRP HA H 143 4.273 4.273 4.343 -0.070 19654 8281 1 11 . 1 1 143 143 TRP CA C 143 59.317 59.317 58.489 0.828 19654 8282 1 11 . 1 1 143 143 TRP CB C 143 28.435 28.435 29.316 -0.881 19654 8283 1 11 . 1 1 143 143 TRP H H 143 9.004 9.004 7.587 1.417 19654 8284 1 11 . 1 1 144 144 ASP N N 144 119.481 119.481 119.877 -0.396 19654 8285 1 11 . 1 1 144 144 ASP HA H 144 4.553 4.553 4.567 -0.014 19654 8286 1 11 . 1 1 144 144 ASP CA C 144 57.825 57.825 57.373 0.452 19654 8287 1 11 . 1 1 144 144 ASP CB C 144 40.435 40.435 40.864 -0.429 19654 8288 1 11 . 1 1 144 144 ASP H H 144 8.071 8.071 7.677 0.394 19654 8289 1 11 . 1 1 145 145 GLY N N 145 109.653 109.653 108.292 1.361 19654 8290 1 11 . 1 1 145 145 GLY CA C 145 46.856 46.856 46.970 -0.114 19654 8291 1 11 . 1 1 145 145 GLY H H 145 7.493 7.493 8.658 -1.165 19654 8292 1 11 . 1 1 146 146 PHE N N 146 124.053 124.053 122.341 1.712 19654 8293 1 11 . 1 1 146 146 PHE HA H 146 2.455 2.455 4.019 -1.564 19654 8294 1 11 . 1 1 146 146 PHE CA C 146 60.349 60.349 60.725 -0.376 19654 8295 1 11 . 1 1 146 146 PHE CB C 146 38.607 38.607 38.996 -0.389 19654 8296 1 11 . 1 1 146 146 PHE H H 146 7.257 7.257 8.100 -0.843 19654 8297 1 11 . 1 1 147 147 VAL N N 147 116.525 116.525 117.099 -0.574 19654 8298 1 11 . 1 1 147 147 VAL HA H 147 3.298 3.298 3.393 -0.094 19654 8299 1 11 . 1 1 147 147 VAL CA C 147 66.080 66.080 65.852 0.228 19654 8300 1 11 . 1 1 147 147 VAL CB C 147 31.904 31.904 31.757 0.147 19654 8301 1 11 . 1 1 147 147 VAL H H 147 7.700 7.700 7.525 0.175 19654 8302 1 11 . 1 1 148 148 GLU N N 148 118.404 118.404 118.509 -0.105 19654 8303 1 11 . 1 1 148 148 GLU HA H 148 3.985 3.985 4.403 -0.418 19654 8304 1 11 . 1 1 148 148 GLU CA C 148 58.933 58.933 58.336 0.597 19654 8305 1 11 . 1 1 148 148 GLU CB C 148 29.535 29.535 29.187 0.348 19654 8306 1 11 . 1 1 148 148 GLU H H 148 7.801 7.801 7.629 0.172 19654 8307 1 11 . 1 1 149 149 PHE N N 149 120.305 120.305 121.152 -0.847 19654 8308 1 11 . 1 1 149 149 PHE HA H 149 3.970 3.970 4.074 -0.104 19654 8309 1 11 . 1 1 149 149 PHE CA C 149 61.341 61.341 61.297 0.044 19654 8310 1 11 . 1 1 149 149 PHE CB C 149 39.011 39.011 39.208 -0.197 19654 8311 1 11 . 1 1 149 149 PHE H H 149 8.358 8.358 7.963 0.395 19654 8312 1 11 . 1 1 150 150 PHE N N 150 112.582 112.582 112.227 0.355 19654 8313 1 11 . 1 1 150 150 PHE HA H 150 4.255 4.255 4.350 -0.095 19654 8314 1 11 . 1 1 150 150 PHE CA C 150 59.075 59.075 58.957 0.118 19654 8315 1 11 . 1 1 150 150 PHE CB C 150 39.487 39.487 39.751 -0.264 19654 8316 1 11 . 1 1 150 150 PHE H H 150 6.927 6.927 7.441 -0.514 19654 8317 1 11 . 1 1 151 151 HIS N N 151 118.966 118.966 117.513 1.453 19654 8318 1 11 . 1 1 151 151 HIS HA H 151 4.370 4.370 4.420 -0.050 19654 8319 1 11 . 1 1 151 151 HIS CA C 151 56.788 56.788 56.530 0.258 19654 8320 1 11 . 1 1 151 151 HIS CB C 151 28.827 28.827 27.783 1.044 19654 8321 1 11 . 1 1 151 151 HIS H H 151 7.483 7.483 7.615 -0.132 19654 8322 1 11 . 1 1 152 152 VAL N N 152 120.499 120.499 123.438 -2.939 19654 8323 1 11 . 1 1 152 152 VAL HA H 152 3.950 3.950 4.028 -0.078 19654 8324 1 11 . 1 1 152 152 VAL CA C 152 62.110 62.110 63.886 -1.776 19654 8325 1 11 . 1 1 152 152 VAL CB C 152 32.593 32.593 33.269 -0.676 19654 8326 1 11 . 1 1 152 152 VAL H H 152 8.103 8.103 7.961 0.142 19654 8327 1 11 . 1 1 153 153 GLU N N 153 123.580 123.580 120.773 2.807 19654 8328 1 11 . 1 1 153 153 GLU HA H 153 4.162 4.162 4.447 -0.285 19654 8329 1 11 . 1 1 153 153 GLU CA C 153 56.433 56.433 55.534 0.899 19654 8330 1 11 . 1 1 153 153 GLU CB C 153 30.101 30.101 28.096 2.005 19654 8331 1 11 . 1 1 153 153 GLU H H 153 8.446 8.446 8.465 -0.019 19654 8332 1 11 . 1 1 154 154 ASP N N 154 120.964 120.964 118.316 2.648 19654 8333 1 11 . 1 1 154 154 ASP HA H 154 4.565 4.565 4.702 -0.137 19654 8334 1 11 . 1 1 154 154 ASP CA C 154 54.106 54.106 54.099 0.007 19654 8335 1 11 . 1 1 154 154 ASP CB C 154 40.836 40.836 42.174 -1.338 19654 8336 1 11 . 1 1 154 154 ASP H H 154 8.325 8.325 7.599 0.726 19654 8337 1 11 . 1 1 155 155 LEU N N 155 122.311 122.311 113.402 8.909 19654 8338 1 11 . 1 1 155 155 LEU HA H 155 4.230 4.230 4.991 -0.761 19654 8339 1 11 . 1 1 155 155 LEU CA C 155 55.340 55.340 55.122 0.218 19654 8340 1 11 . 1 1 155 155 LEU CB C 155 42.094 42.094 43.129 -1.035 19654 8341 1 11 . 1 1 155 155 LEU H H 155 8.210 8.210 8.206 0.004 19654 8342 1 11 . 1 1 156 156 GLU N N 156 120.023 120.023 119.282 0.741 19654 8343 1 11 . 1 1 156 156 GLU HA H 156 4.218 4.218 4.480 -0.262 19654 8344 1 11 . 1 1 156 156 GLU CA C 156 56.831 56.831 56.332 0.499 19654 8345 1 11 . 1 1 156 156 GLU CB C 156 29.930 29.930 31.534 -1.604 19654 8346 1 11 . 1 1 156 156 GLU H H 156 8.396 8.396 8.571 -0.175 19654 8347 1 11 . 1 1 157 157 GLY N N 157 109.371 109.371 109.624 -0.253 19654 8348 1 11 . 1 1 157 157 GLY CA C 157 45.327 45.327 45.412 -0.085 19654 8349 1 11 . 1 1 157 157 GLY H H 157 8.323 8.323 8.621 -0.298 19654 8350 1 11 . 1 1 158 158 GLY N N 158 108.074 108.074 114.056 -5.982 19654 8351 1 11 . 1 1 158 158 GLY CA C 158 45.061 45.061 44.141 0.920 19654 8352 1 11 . 1 1 158 158 GLY H H 158 8.226 8.226 8.250 -0.024 19654 8353 1 11 . 1 1 159 159 HIS N N 159 117.875 117.875 118.425 -0.550 19654 8354 1 11 . 1 1 159 159 HIS HA H 159 4.551 4.551 4.359 0.192 19654 8355 1 11 . 1 1 159 159 HIS CA C 159 55.600 55.600 55.617 -0.017 19654 8356 1 11 . 1 1 159 159 HIS CB C 159 29.800 29.800 29.377 0.423 19654 8357 1 11 . 1 1 159 159 HIS H H 159 8.210 8.210 8.116 0.094 19654 8358 1 11 . 1 1 161 161 HIS N N 161 125.094 125.094 118.851 6.243 19654 8359 1 11 . 1 1 161 161 HIS HA H 161 4.585 4.585 4.842 -0.257 19654 8360 1 11 . 1 1 161 161 HIS H H 161 8.162 8.162 8.266 -0.104 19654 8361 1 12 . 1 1 2 2 GLU HA H 2 4.333 4.333 4.440 -0.107 19654 8362 1 12 . 1 1 2 2 GLU CA C 2 56.183 56.183 55.746 0.437 19654 8363 1 12 . 1 1 2 2 GLU CB C 2 30.150 30.150 30.576 -0.426 19654 8364 1 12 . 1 1 3 3 ASP N N 3 122.553 122.553 122.648 -0.095 19654 8365 1 12 . 1 1 3 3 ASP HA H 3 4.729 4.729 4.706 0.023 19654 8366 1 12 . 1 1 3 3 ASP CA C 3 53.659 53.659 54.423 -0.764 19654 8367 1 12 . 1 1 3 3 ASP CB C 3 41.319 41.319 42.454 -1.135 19654 8368 1 12 . 1 1 3 3 ASP H H 3 8.437 8.437 8.515 -0.078 19654 8369 1 12 . 1 1 4 4 GLU N N 4 125.121 125.121 123.297 1.824 19654 8370 1 12 . 1 1 4 4 GLU HA H 4 4.235 4.235 4.026 0.209 19654 8371 1 12 . 1 1 4 4 GLU CA C 4 58.915 58.915 59.529 -0.614 19654 8372 1 12 . 1 1 4 4 GLU CB C 4 29.274 29.274 29.625 -0.351 19654 8373 1 12 . 1 1 4 4 GLU H H 4 8.726 8.726 8.863 -0.137 19654 8374 1 12 . 1 1 5 5 LEU N N 5 120.976 120.976 120.560 0.416 19654 8375 1 12 . 1 1 5 5 LEU HA H 5 4.517 4.517 4.167 0.350 19654 8376 1 12 . 1 1 5 5 LEU CA C 5 57.939 57.939 57.680 0.259 19654 8377 1 12 . 1 1 5 5 LEU CB C 5 40.917 40.917 41.317 -0.400 19654 8378 1 12 . 1 1 5 5 LEU H H 5 8.381 8.381 8.112 0.269 19654 8379 1 12 . 1 1 6 6 TYR N N 6 123.977 123.977 119.199 4.778 19654 8380 1 12 . 1 1 6 6 TYR HA H 6 3.865 3.865 4.148 -0.283 19654 8381 1 12 . 1 1 6 6 TYR CA C 6 62.721 62.721 61.934 0.787 19654 8382 1 12 . 1 1 6 6 TYR CB C 6 38.475 38.475 38.322 0.153 19654 8383 1 12 . 1 1 6 6 TYR H H 6 8.342 8.342 7.430 0.912 19654 8384 1 12 . 1 1 7 7 ARG N N 7 118.301 118.301 118.159 0.142 19654 8385 1 12 . 1 1 7 7 ARG HA H 7 3.828 3.828 3.964 -0.136 19654 8386 1 12 . 1 1 7 7 ARG CA C 7 59.619 59.619 58.575 1.044 19654 8387 1 12 . 1 1 7 7 ARG CB C 7 29.720 29.720 29.250 0.470 19654 8388 1 12 . 1 1 7 7 ARG H H 7 8.452 8.452 8.406 0.046 19654 8389 1 12 . 1 1 8 8 GLN N N 8 119.421 119.421 119.735 -0.314 19654 8390 1 12 . 1 1 8 8 GLN HA H 8 3.944 3.944 4.035 -0.091 19654 8391 1 12 . 1 1 8 8 GLN CA C 8 58.827 58.827 58.715 0.112 19654 8392 1 12 . 1 1 8 8 GLN CB C 8 28.918 28.918 28.071 0.847 19654 8393 1 12 . 1 1 8 8 GLN H H 8 8.894 8.894 8.329 0.565 19654 8394 1 12 . 1 1 9 9 SER N N 9 113.384 113.384 116.865 -3.481 19654 8395 1 12 . 1 1 9 9 SER HA H 9 4.007 4.007 3.704 0.303 19654 8396 1 12 . 1 1 9 9 SER CA C 9 62.117 62.117 62.188 -0.071 19654 8397 1 12 . 1 1 9 9 SER CB C 9 63.544 63.544 63.111 0.433 19654 8398 1 12 . 1 1 9 9 SER H H 9 8.018 8.018 8.093 -0.075 19654 8399 1 12 . 1 1 10 10 LEU N N 10 121.112 121.112 123.144 -2.032 19654 8400 1 12 . 1 1 10 10 LEU HA H 10 4.130 4.130 4.055 0.075 19654 8401 1 12 . 1 1 10 10 LEU CA C 10 57.022 57.022 57.239 -0.217 19654 8402 1 12 . 1 1 10 10 LEU CB C 10 41.146 41.146 41.503 -0.357 19654 8403 1 12 . 1 1 10 10 LEU H H 10 8.599 8.599 8.298 0.301 19654 8404 1 12 . 1 1 11 11 GLU N N 11 120.653 120.653 119.956 0.697 19654 8405 1 12 . 1 1 11 11 GLU HA H 11 3.914 3.914 3.934 -0.020 19654 8406 1 12 . 1 1 11 11 GLU CA C 11 59.627 59.627 59.369 0.258 19654 8407 1 12 . 1 1 11 11 GLU CB C 11 29.298 29.298 29.197 0.101 19654 8408 1 12 . 1 1 11 11 GLU H H 11 7.806 7.806 7.780 0.026 19654 8409 1 12 . 1 1 12 12 ILE N N 12 117.297 117.297 119.463 -2.166 19654 8410 1 12 . 1 1 12 12 ILE HA H 12 3.121 3.121 3.544 -0.423 19654 8411 1 12 . 1 1 12 12 ILE CA C 12 65.774 65.774 65.560 0.214 19654 8412 1 12 . 1 1 12 12 ILE CB C 12 39.143 39.143 37.692 1.451 19654 8413 1 12 . 1 1 12 12 ILE H H 12 7.401 7.401 7.431 -0.030 19654 8414 1 12 . 1 1 13 13 ILE N N 13 117.560 117.560 119.088 -1.528 19654 8415 1 12 . 1 1 13 13 ILE HA H 13 3.302 3.302 3.522 -0.220 19654 8416 1 12 . 1 1 13 13 ILE CA C 13 66.420 66.420 65.662 0.758 19654 8417 1 12 . 1 1 13 13 ILE CB C 13 37.714 37.714 37.526 0.188 19654 8418 1 12 . 1 1 13 13 ILE H H 13 8.378 8.378 7.917 0.461 19654 8419 1 12 . 1 1 14 14 SER N N 14 113.892 113.892 115.906 -2.014 19654 8420 1 12 . 1 1 14 14 SER HA H 14 3.889 3.889 4.032 -0.143 19654 8421 1 12 . 1 1 14 14 SER CA C 14 62.310 62.310 62.236 0.074 19654 8422 1 12 . 1 1 14 14 SER CB C 14 62.282 62.282 63.100 -0.818 19654 8423 1 12 . 1 1 14 14 SER H H 14 9.048 9.048 8.350 0.698 19654 8424 1 12 . 1 1 15 15 ARG N N 15 118.890 118.890 120.477 -1.587 19654 8425 1 12 . 1 1 15 15 ARG HA H 15 4.033 4.033 4.019 0.014 19654 8426 1 12 . 1 1 15 15 ARG CA C 15 59.496 59.496 59.291 0.205 19654 8427 1 12 . 1 1 15 15 ARG CB C 15 29.727 29.727 30.094 -0.367 19654 8428 1 12 . 1 1 15 15 ARG H H 15 7.655 7.655 7.638 0.017 19654 8429 1 12 . 1 1 16 16 TYR N N 16 119.757 119.757 122.284 -2.527 19654 8430 1 12 . 1 1 16 16 TYR HA H 16 4.146 4.146 4.148 -0.002 19654 8431 1 12 . 1 1 16 16 TYR CA C 16 61.265 61.265 62.130 -0.865 19654 8432 1 12 . 1 1 16 16 TYR CB C 16 38.495 38.495 38.374 0.121 19654 8433 1 12 . 1 1 16 16 TYR H H 16 8.351 8.351 8.012 0.339 19654 8434 1 12 . 1 1 17 17 LEU N N 17 118.494 118.494 119.148 -0.654 19654 8435 1 12 . 1 1 17 17 LEU HA H 17 3.375 3.375 3.859 -0.484 19654 8436 1 12 . 1 1 17 17 LEU CA C 17 59.627 59.627 58.594 1.033 19654 8437 1 12 . 1 1 17 17 LEU CB C 17 39.949 39.949 41.208 -1.259 19654 8438 1 12 . 1 1 17 17 LEU H H 17 8.578 8.578 8.572 0.006 19654 8439 1 12 . 1 1 18 18 ARG N N 18 115.962 115.962 118.758 -2.796 19654 8440 1 12 . 1 1 18 18 ARG HA H 18 3.858 3.858 3.916 -0.058 19654 8441 1 12 . 1 1 18 18 ARG CA C 18 60.233 60.233 58.909 1.324 19654 8442 1 12 . 1 1 18 18 ARG CB C 18 29.993 29.993 29.503 0.489 19654 8443 1 12 . 1 1 18 18 ARG H H 18 8.044 8.044 8.184 -0.140 19654 8444 1 12 . 1 1 19 19 GLU N N 19 120.998 120.998 118.694 2.304 19654 8445 1 12 . 1 1 19 19 GLU HA H 19 4.153 4.153 4.134 0.019 19654 8446 1 12 . 1 1 19 19 GLU CA C 19 58.857 58.857 58.766 0.091 19654 8447 1 12 . 1 1 19 19 GLU CB C 19 29.661 29.661 28.947 0.714 19654 8448 1 12 . 1 1 19 19 GLU H H 19 8.268 8.268 8.343 -0.075 19654 8449 1 12 . 1 1 20 20 GLN N N 20 119.903 119.903 117.390 2.513 19654 8450 1 12 . 1 1 20 20 GLN HA H 20 3.715 3.715 4.110 -0.395 19654 8451 1 12 . 1 1 20 20 GLN CA C 20 58.008 58.008 57.503 0.505 19654 8452 1 12 . 1 1 20 20 GLN CB C 20 28.666 28.666 28.160 0.506 19654 8453 1 12 . 1 1 20 20 GLN H H 20 8.193 8.193 7.847 0.346 19654 8454 1 12 . 1 1 21 21 ALA N N 21 117.771 117.771 120.873 -3.102 19654 8455 1 12 . 1 1 21 21 ALA HA H 21 3.985 3.985 4.149 -0.164 19654 8456 1 12 . 1 1 21 21 ALA CA C 21 54.397 54.397 54.478 -0.081 19654 8457 1 12 . 1 1 21 21 ALA CB C 21 20.022 20.022 18.892 1.130 19654 8458 1 12 . 1 1 21 21 ALA H H 21 7.883 7.883 7.577 0.306 19654 8459 1 12 . 1 1 22 22 THR N N 22 103.721 103.721 108.360 -4.639 19654 8460 1 12 . 1 1 22 22 THR HA H 22 4.279 4.279 4.218 0.061 19654 8461 1 12 . 1 1 22 22 THR CA C 22 62.357 62.357 62.609 -0.252 19654 8462 1 12 . 1 1 22 22 THR CB C 22 71.071 71.071 70.371 0.700 19654 8463 1 12 . 1 1 22 22 THR H H 22 8.024 8.024 7.896 0.128 19654 8464 1 12 . 1 1 23 23 GLY N N 23 111.610 111.610 110.469 1.141 19654 8465 1 12 . 1 1 23 23 GLY CA C 23 45.574 45.574 44.828 0.746 19654 8466 1 12 . 1 1 23 23 GLY H H 23 8.155 8.155 7.880 0.275 19654 8467 1 12 . 1 1 24 24 ALA N N 24 123.004 123.004 123.175 -0.171 19654 8468 1 12 . 1 1 24 24 ALA HA H 24 4.526 4.526 4.756 -0.230 19654 8469 1 12 . 1 1 24 24 ALA CA C 24 50.763 50.763 51.332 -0.569 19654 8470 1 12 . 1 1 24 24 ALA CB C 24 20.186 20.186 20.991 -0.805 19654 8471 1 12 . 1 1 24 24 ALA H H 24 7.763 7.763 8.090 -0.327 19654 8472 1 12 . 1 1 25 25 LYS N N 25 121.392 121.392 119.488 1.904 19654 8473 1 12 . 1 1 25 25 LYS HA H 25 4.181 4.181 4.563 -0.382 19654 8474 1 12 . 1 1 25 25 LYS CA C 25 55.729 55.729 55.362 0.367 19654 8475 1 12 . 1 1 25 25 LYS CB C 25 33.175 33.175 34.359 -1.184 19654 8476 1 12 . 1 1 25 25 LYS H H 25 8.349 8.349 8.132 0.217 19654 8477 1 12 . 1 1 26 26 ASP N N 26 124.433 124.433 121.164 3.269 19654 8478 1 12 . 1 1 26 26 ASP HA H 26 4.618 4.618 4.705 -0.087 19654 8479 1 12 . 1 1 26 26 ASP CA C 26 53.735 53.735 53.621 0.114 19654 8480 1 12 . 1 1 26 26 ASP CB C 26 41.402 41.402 42.215 -0.813 19654 8481 1 12 . 1 1 26 26 ASP H H 26 8.803 8.803 8.228 0.575 19654 8482 1 12 . 1 1 27 27 THR N N 27 116.332 116.332 113.374 2.958 19654 8483 1 12 . 1 1 27 27 THR HA H 27 4.249 4.249 4.448 -0.199 19654 8484 1 12 . 1 1 27 27 THR CA C 27 61.268 61.268 61.990 -0.722 19654 8485 1 12 . 1 1 27 27 THR CB C 27 68.993 68.993 68.314 0.679 19654 8486 1 12 . 1 1 27 27 THR H H 27 8.363 8.363 8.327 0.036 19654 8487 1 12 . 1 1 28 28 LYS N N 28 125.551 125.551 122.661 2.890 19654 8488 1 12 . 1 1 28 28 LYS HA H 28 4.437 4.437 4.842 -0.405 19654 8489 1 12 . 1 1 28 28 LYS CA C 28 55.188 55.188 53.337 1.851 19654 8490 1 12 . 1 1 28 28 LYS CB C 28 31.409 31.409 33.390 -1.981 19654 8491 1 12 . 1 1 28 28 LYS H H 28 8.346 8.346 7.815 0.531 19654 8492 1 12 . 1 1 29 29 PRO HA H 29 4.392 4.392 4.506 -0.114 19654 8493 1 12 . 1 1 29 29 PRO CA C 29 63.164 63.164 62.815 0.349 19654 8494 1 12 . 1 1 29 29 PRO CB C 29 31.904 31.904 32.305 -0.401 19654 8495 1 12 . 1 1 30 30 MET N N 30 121.136 121.136 120.537 0.599 19654 8496 1 12 . 1 1 30 30 MET HA H 30 4.381 4.381 4.498 -0.117 19654 8497 1 12 . 1 1 30 30 MET CA C 30 55.229 55.229 54.740 0.489 19654 8498 1 12 . 1 1 30 30 MET CB C 30 33.819 33.819 36.348 -2.529 19654 8499 1 12 . 1 1 30 30 MET H H 30 8.585 8.585 8.172 0.413 19654 8500 1 12 . 1 1 31 31 GLY N N 31 109.849 109.849 113.039 -3.190 19654 8501 1 12 . 1 1 31 31 GLY CA C 31 44.983 44.983 46.202 -1.219 19654 8502 1 12 . 1 1 31 31 GLY H H 31 8.930 8.930 8.638 0.292 19654 8503 1 12 . 1 1 32 32 ARG N N 32 121.001 121.001 122.883 -1.882 19654 8504 1 12 . 1 1 32 32 ARG HA H 32 4.239 4.239 4.246 -0.007 19654 8505 1 12 . 1 1 32 32 ARG CA C 32 56.755 56.755 58.022 -1.267 19654 8506 1 12 . 1 1 32 32 ARG CB C 32 30.110 30.110 31.030 -0.920 19654 8507 1 12 . 1 1 32 32 ARG H H 32 8.447 8.447 8.244 0.203 19654 8508 1 12 . 1 1 33 33 SER N N 33 119.991 119.991 114.969 5.022 19654 8509 1 12 . 1 1 33 33 SER HA H 33 4.386 4.386 4.592 -0.206 19654 8510 1 12 . 1 1 33 33 SER CA C 33 58.502 58.502 57.792 0.710 19654 8511 1 12 . 1 1 33 33 SER CB C 33 62.609 62.609 62.893 -0.284 19654 8512 1 12 . 1 1 33 33 SER H H 33 8.667 8.667 8.161 0.506 19654 8513 1 12 . 1 1 34 34 GLY N N 34 108.582 108.582 112.909 -4.327 19654 8514 1 12 . 1 1 34 34 GLY CA C 34 46.637 46.637 47.545 -0.908 19654 8515 1 12 . 1 1 34 34 GLY H H 34 8.216 8.216 8.137 0.079 19654 8516 1 12 . 1 1 35 35 ALA N N 35 123.445 123.445 122.758 0.687 19654 8517 1 12 . 1 1 35 35 ALA HA H 35 4.193 4.193 3.939 0.254 19654 8518 1 12 . 1 1 35 35 ALA CA C 35 54.770 54.770 55.349 -0.579 19654 8519 1 12 . 1 1 35 35 ALA CB C 35 18.437 18.437 18.157 0.280 19654 8520 1 12 . 1 1 35 35 ALA H H 35 8.506 8.506 8.453 0.053 19654 8521 1 12 . 1 1 36 36 THR N N 36 115.716 115.716 115.291 0.425 19654 8522 1 12 . 1 1 36 36 THR HA H 36 3.919 3.919 3.970 -0.051 19654 8523 1 12 . 1 1 36 36 THR CA C 36 67.249 67.249 66.850 0.399 19654 8524 1 12 . 1 1 36 36 THR CB C 36 68.225 68.225 68.545 -0.320 19654 8525 1 12 . 1 1 36 36 THR H H 36 8.262 8.262 8.148 0.114 19654 8526 1 12 . 1 1 37 37 SER N N 37 117.911 117.911 117.276 0.635 19654 8527 1 12 . 1 1 37 37 SER HA H 37 3.869 3.869 4.014 -0.145 19654 8528 1 12 . 1 1 37 37 SER CA C 37 62.333 62.333 61.778 0.555 19654 8529 1 12 . 1 1 37 37 SER CB C 37 62.333 62.333 63.171 -0.838 19654 8530 1 12 . 1 1 37 37 SER H H 37 8.389 8.389 8.186 0.203 19654 8531 1 12 . 1 1 38 38 ARG N N 38 120.924 120.924 121.645 -0.721 19654 8532 1 12 . 1 1 38 38 ARG HA H 38 3.901 3.901 4.083 -0.182 19654 8533 1 12 . 1 1 38 38 ARG CA C 38 59.923 59.923 58.429 1.494 19654 8534 1 12 . 1 1 38 38 ARG CB C 38 29.759 29.759 29.594 0.165 19654 8535 1 12 . 1 1 38 38 ARG H H 38 8.278 8.278 7.977 0.301 19654 8536 1 12 . 1 1 39 39 LYS N N 39 119.172 119.172 119.659 -0.487 19654 8537 1 12 . 1 1 39 39 LYS HA H 39 4.151 4.151 3.955 0.196 19654 8538 1 12 . 1 1 39 39 LYS CA C 39 59.086 59.086 59.883 -0.797 19654 8539 1 12 . 1 1 39 39 LYS CB C 39 32.807 32.807 32.119 0.688 19654 8540 1 12 . 1 1 39 39 LYS H H 39 7.930 7.930 8.163 -0.233 19654 8541 1 12 . 1 1 40 40 ALA N N 40 125.586 125.586 122.808 2.778 19654 8542 1 12 . 1 1 40 40 ALA HA H 40 4.175 4.175 4.368 -0.193 19654 8543 1 12 . 1 1 40 40 ALA CA C 40 55.633 55.633 55.282 0.350 19654 8544 1 12 . 1 1 40 40 ALA CB C 40 18.675 18.675 18.668 0.007 19654 8545 1 12 . 1 1 40 40 ALA H H 40 9.192 9.192 7.917 1.275 19654 8546 1 12 . 1 1 41 41 LEU N N 41 120.080 120.080 120.515 -0.435 19654 8547 1 12 . 1 1 41 41 LEU HA H 41 3.930 3.930 3.967 -0.037 19654 8548 1 12 . 1 1 41 41 LEU CA C 41 58.169 58.169 58.374 -0.205 19654 8549 1 12 . 1 1 41 41 LEU CB C 41 41.683 41.683 41.851 -0.168 19654 8550 1 12 . 1 1 41 41 LEU H H 41 8.209 8.209 8.128 0.081 19654 8551 1 12 . 1 1 42 42 GLU N N 42 117.875 117.875 117.015 0.860 19654 8552 1 12 . 1 1 42 42 GLU HA H 42 3.977 3.977 4.029 -0.052 19654 8553 1 12 . 1 1 42 42 GLU CA C 42 59.335 59.335 59.310 0.025 19654 8554 1 12 . 1 1 42 42 GLU CB C 42 29.176 29.176 28.964 0.212 19654 8555 1 12 . 1 1 42 42 GLU H H 42 8.197 8.197 8.622 -0.425 19654 8556 1 12 . 1 1 43 43 THR N N 43 116.912 116.912 117.964 -1.052 19654 8557 1 12 . 1 1 43 43 THR HA H 43 3.793 3.793 4.006 -0.213 19654 8558 1 12 . 1 1 43 43 THR CA C 43 67.517 67.517 66.523 0.994 19654 8559 1 12 . 1 1 43 43 THR CB C 43 68.089 68.089 68.474 -0.385 19654 8560 1 12 . 1 1 43 43 THR H H 43 8.183 8.183 8.027 0.156 19654 8561 1 12 . 1 1 44 44 LEU N N 44 123.099 123.099 121.579 1.520 19654 8562 1 12 . 1 1 44 44 LEU HA H 44 3.699 3.699 4.022 -0.323 19654 8563 1 12 . 1 1 44 44 LEU CA C 44 58.261 58.261 58.276 -0.015 19654 8564 1 12 . 1 1 44 44 LEU CB C 44 40.988 40.988 41.307 -0.319 19654 8565 1 12 . 1 1 44 44 LEU H H 44 8.509 8.509 8.702 -0.193 19654 8566 1 12 . 1 1 45 45 ARG N N 45 116.885 116.885 118.506 -1.621 19654 8567 1 12 . 1 1 45 45 ARG HA H 45 4.125 4.125 4.296 -0.171 19654 8568 1 12 . 1 1 45 45 ARG CA C 45 59.617 59.617 59.570 0.047 19654 8569 1 12 . 1 1 45 45 ARG CB C 45 30.423 30.423 30.076 0.347 19654 8570 1 12 . 1 1 45 45 ARG H H 45 8.398 8.398 8.014 0.384 19654 8571 1 12 . 1 1 46 46 ARG N N 46 117.297 117.297 120.089 -2.792 19654 8572 1 12 . 1 1 46 46 ARG HA H 46 4.229 4.229 4.080 0.149 19654 8573 1 12 . 1 1 46 46 ARG CA C 46 58.427 58.427 59.242 -0.815 19654 8574 1 12 . 1 1 46 46 ARG CB C 46 30.408 30.408 30.358 0.050 19654 8575 1 12 . 1 1 46 46 ARG H H 46 7.421 7.421 8.033 -0.612 19654 8576 1 12 . 1 1 47 47 VAL N N 47 114.304 114.304 113.028 1.276 19654 8577 1 12 . 1 1 47 47 VAL HA H 47 4.094 4.094 4.165 -0.071 19654 8578 1 12 . 1 1 47 47 VAL CA C 47 63.242 63.242 64.526 -1.284 19654 8579 1 12 . 1 1 47 47 VAL CB C 47 32.378 32.378 31.733 0.645 19654 8580 1 12 . 1 1 47 47 VAL H H 47 8.515 8.515 8.030 0.485 19654 8581 1 12 . 1 1 48 48 GLY N N 48 110.132 110.132 108.682 1.450 19654 8582 1 12 . 1 1 48 48 GLY CA C 48 46.588 46.588 47.070 -0.482 19654 8583 1 12 . 1 1 48 48 GLY H H 48 8.890 8.890 8.412 0.478 19654 8584 1 12 . 1 1 49 49 ASP N N 49 121.292 121.292 122.572 -1.280 19654 8585 1 12 . 1 1 49 49 ASP HA H 49 4.456 4.456 4.396 0.060 19654 8586 1 12 . 1 1 49 49 ASP CA C 49 57.787 57.787 58.137 -0.350 19654 8587 1 12 . 1 1 49 49 ASP CB C 49 40.912 40.912 40.647 0.265 19654 8588 1 12 . 1 1 49 49 ASP H H 49 7.392 7.392 8.281 -0.889 19654 8589 1 12 . 1 1 50 50 GLY N N 50 106.682 106.682 107.884 -1.202 19654 8590 1 12 . 1 1 50 50 GLY CA C 50 46.932 46.932 46.799 0.133 19654 8591 1 12 . 1 1 50 50 GLY H H 50 8.132 8.132 7.863 0.269 19654 8592 1 12 . 1 1 51 51 VAL N N 51 121.747 121.747 123.474 -1.727 19654 8593 1 12 . 1 1 51 51 VAL HA H 51 3.944 3.944 3.995 -0.051 19654 8594 1 12 . 1 1 51 51 VAL CA C 51 66.355 66.355 66.162 0.193 19654 8595 1 12 . 1 1 51 51 VAL CB C 51 31.594 31.594 31.647 -0.053 19654 8596 1 12 . 1 1 51 51 VAL H H 51 7.476 7.476 7.745 -0.269 19654 8597 1 12 . 1 1 52 52 GLN N N 52 118.494 118.494 118.816 -0.322 19654 8598 1 12 . 1 1 52 52 GLN HA H 52 3.913 3.913 4.118 -0.205 19654 8599 1 12 . 1 1 52 52 GLN CA C 52 60.391 60.391 59.248 1.143 19654 8600 1 12 . 1 1 52 52 GLN CB C 52 29.682 29.682 28.749 0.933 19654 8601 1 12 . 1 1 52 52 GLN H H 52 8.439 8.439 8.379 0.060 19654 8602 1 12 . 1 1 53 53 ARG N N 53 116.807 116.807 118.906 -2.099 19654 8603 1 12 . 1 1 53 53 ARG HA H 53 4.163 4.163 3.961 0.202 19654 8604 1 12 . 1 1 53 53 ARG CA C 53 59.086 59.086 59.678 -0.592 19654 8605 1 12 . 1 1 53 53 ARG CB C 53 30.009 30.009 30.047 -0.038 19654 8606 1 12 . 1 1 53 53 ARG H H 53 7.873 7.873 7.914 -0.041 19654 8607 1 12 . 1 1 54 54 ASN N N 54 116.356 116.356 115.965 0.391 19654 8608 1 12 . 1 1 54 54 ASN HA H 54 4.448 4.448 4.448 -0.000 19654 8609 1 12 . 1 1 54 54 ASN CA C 54 54.694 54.694 55.381 -0.687 19654 8610 1 12 . 1 1 54 54 ASN CB C 54 38.302 38.302 37.681 0.621 19654 8611 1 12 . 1 1 54 54 ASN H H 54 8.123 8.123 8.242 -0.119 19654 8612 1 12 . 1 1 55 55 HIS N N 55 114.809 114.809 117.884 -3.075 19654 8613 1 12 . 1 1 55 55 HIS HA H 55 4.504 4.504 4.237 0.267 19654 8614 1 12 . 1 1 55 55 HIS CA C 55 55.949 55.949 58.466 -2.517 19654 8615 1 12 . 1 1 55 55 HIS CB C 55 28.341 28.341 30.503 -2.162 19654 8616 1 12 . 1 1 55 55 HIS H H 55 7.558 7.558 8.045 -0.487 19654 8617 1 12 . 1 1 56 56 GLU N N 56 121.943 121.943 121.299 0.644 19654 8618 1 12 . 1 1 56 56 GLU HA H 56 3.640 3.640 3.150 0.490 19654 8619 1 12 . 1 1 56 56 GLU CA C 56 61.360 61.360 59.514 1.846 19654 8620 1 12 . 1 1 56 56 GLU CB C 56 30.006 30.006 28.955 1.051 19654 8621 1 12 . 1 1 56 56 GLU H H 56 7.071 7.071 8.150 -1.079 19654 8622 1 12 . 1 1 57 57 THR N N 57 112.827 112.827 113.459 -0.632 19654 8623 1 12 . 1 1 57 57 THR HA H 57 3.984 3.984 3.992 -0.008 19654 8624 1 12 . 1 1 57 57 THR CA C 57 66.247 66.247 65.115 1.132 19654 8625 1 12 . 1 1 57 57 THR CB C 57 68.002 68.002 68.713 -0.711 19654 8626 1 12 . 1 1 57 57 THR H H 57 8.324 8.324 7.465 0.859 19654 8627 1 12 . 1 1 58 58 ALA N N 58 126.520 126.520 122.943 3.577 19654 8628 1 12 . 1 1 58 58 ALA HA H 58 4.147 4.147 4.166 -0.019 19654 8629 1 12 . 1 1 58 58 ALA CA C 58 54.707 54.707 54.251 0.456 19654 8630 1 12 . 1 1 58 58 ALA CB C 58 17.734 17.734 18.311 -0.578 19654 8631 1 12 . 1 1 58 58 ALA H H 58 7.910 7.910 6.959 0.951 19654 8632 1 12 . 1 1 59 59 PHE N N 59 119.326 119.326 118.346 0.980 19654 8633 1 12 . 1 1 59 59 PHE HA H 59 4.518 4.518 4.391 0.127 19654 8634 1 12 . 1 1 59 59 PHE CA C 59 56.946 56.946 58.825 -1.879 19654 8635 1 12 . 1 1 59 59 PHE CB C 59 34.583 34.583 38.173 -3.590 19654 8636 1 12 . 1 1 59 59 PHE H H 59 9.017 9.017 8.387 0.630 19654 8637 1 12 . 1 1 60 60 GLN N N 60 119.670 119.670 119.041 0.629 19654 8638 1 12 . 1 1 60 60 GLN HA H 60 4.232 4.232 4.175 0.057 19654 8639 1 12 . 1 1 60 60 GLN CA C 60 59.359 59.359 59.496 -0.137 19654 8640 1 12 . 1 1 60 60 GLN CB C 60 28.009 28.009 27.864 0.145 19654 8641 1 12 . 1 1 60 60 GLN H H 60 8.678 8.678 8.566 0.112 19654 8642 1 12 . 1 1 61 61 GLY N N 61 106.140 106.140 106.182 -0.042 19654 8643 1 12 . 1 1 61 61 GLY CA C 61 47.085 47.085 46.857 0.228 19654 8644 1 12 . 1 1 61 61 GLY H H 61 7.975 7.975 7.948 0.027 19654 8645 1 12 . 1 1 62 62 MET N N 62 120.973 120.973 119.927 1.046 19654 8646 1 12 . 1 1 62 62 MET HA H 62 4.080 4.080 4.355 -0.275 19654 8647 1 12 . 1 1 62 62 MET CA C 62 58.752 58.752 58.165 0.587 19654 8648 1 12 . 1 1 62 62 MET CB C 62 33.824 33.824 33.023 0.801 19654 8649 1 12 . 1 1 62 62 MET H H 62 8.007 8.007 7.847 0.160 19654 8650 1 12 . 1 1 63 63 LEU N N 63 119.043 119.043 120.717 -1.674 19654 8651 1 12 . 1 1 63 63 LEU HA H 63 4.139 4.139 3.967 0.172 19654 8652 1 12 . 1 1 63 63 LEU CA C 63 57.645 57.645 58.489 -0.844 19654 8653 1 12 . 1 1 63 63 LEU CB C 63 42.173 42.173 41.070 1.103 19654 8654 1 12 . 1 1 63 63 LEU H H 63 8.394 8.394 8.744 -0.350 19654 8655 1 12 . 1 1 64 64 ARG N N 64 117.294 117.294 117.904 -0.610 19654 8656 1 12 . 1 1 64 64 ARG HA H 64 4.090 4.090 4.129 -0.039 19654 8657 1 12 . 1 1 64 64 ARG CA C 64 58.551 58.551 58.361 0.189 19654 8658 1 12 . 1 1 64 64 ARG CB C 64 29.772 29.772 30.155 -0.383 19654 8659 1 12 . 1 1 64 64 ARG H H 64 7.912 7.912 8.142 -0.230 19654 8660 1 12 . 1 1 65 65 LYS N N 65 116.840 116.840 116.715 0.125 19654 8661 1 12 . 1 1 65 65 LYS HA H 65 4.165 4.165 4.496 -0.331 19654 8662 1 12 . 1 1 65 65 LYS CA C 65 57.175 57.175 56.797 0.378 19654 8663 1 12 . 1 1 65 65 LYS CB C 65 32.299 32.299 33.348 -1.049 19654 8664 1 12 . 1 1 65 65 LYS H H 65 7.506 7.506 8.010 -0.504 19654 8665 1 12 . 1 1 66 66 LEU N N 66 119.257 119.257 120.912 -1.655 19654 8666 1 12 . 1 1 66 66 LEU HA H 66 4.232 4.232 4.423 -0.191 19654 8667 1 12 . 1 1 66 66 LEU CA C 66 55.442 55.442 55.347 0.095 19654 8668 1 12 . 1 1 66 66 LEU CB C 66 43.042 43.042 43.339 -0.297 19654 8669 1 12 . 1 1 66 66 LEU H H 66 7.736 7.736 7.561 0.175 19654 8670 1 12 . 1 1 67 67 ASP N N 67 119.743 119.743 118.147 1.596 19654 8671 1 12 . 1 1 67 67 ASP HA H 67 4.457 4.457 4.362 0.095 19654 8672 1 12 . 1 1 67 67 ASP CA C 67 53.850 53.850 55.028 -1.178 19654 8673 1 12 . 1 1 67 67 ASP CB C 67 40.195 40.195 39.673 0.522 19654 8674 1 12 . 1 1 67 67 ASP H H 67 8.068 8.068 8.069 -0.001 19654 8675 1 12 . 1 1 68 68 ILE N N 68 120.055 120.055 120.393 -0.338 19654 8676 1 12 . 1 1 68 68 ILE HA H 68 3.870 3.870 3.945 -0.075 19654 8677 1 12 . 1 1 68 68 ILE CA C 68 61.524 61.524 61.869 -0.345 19654 8678 1 12 . 1 1 68 68 ILE CB C 68 37.986 37.986 36.190 1.796 19654 8679 1 12 . 1 1 68 68 ILE H H 68 8.275 8.275 8.494 -0.219 19654 8680 1 12 . 1 1 69 69 LYS N N 69 126.186 126.186 127.157 -0.971 19654 8681 1 12 . 1 1 69 69 LYS HA H 69 4.481 4.481 4.463 0.018 19654 8682 1 12 . 1 1 69 69 LYS CA C 69 56.304 56.304 55.515 0.789 19654 8683 1 12 . 1 1 69 69 LYS CB C 69 34.136 34.136 33.168 0.968 19654 8684 1 12 . 1 1 69 69 LYS H H 69 9.722 9.722 8.988 0.734 19654 8685 1 12 . 1 1 70 70 ASN N N 70 115.056 115.056 116.654 -1.598 19654 8686 1 12 . 1 1 70 70 ASN HA H 70 4.700 4.700 4.788 -0.088 19654 8687 1 12 . 1 1 70 70 ASN CA C 70 51.977 51.977 52.062 -0.085 19654 8688 1 12 . 1 1 70 70 ASN CB C 70 39.474 39.474 40.204 -0.730 19654 8689 1 12 . 1 1 70 70 ASN H H 70 7.959 7.959 8.286 -0.327 19654 8690 1 12 . 1 1 71 71 GLU N N 71 118.214 118.214 119.732 -1.518 19654 8691 1 12 . 1 1 71 71 GLU HA H 71 3.967 3.967 3.898 0.069 19654 8692 1 12 . 1 1 71 71 GLU CA C 71 59.354 59.354 59.886 -0.532 19654 8693 1 12 . 1 1 71 71 GLU CB C 71 29.520 29.520 29.654 -0.134 19654 8694 1 12 . 1 1 71 71 GLU H H 71 8.831 8.831 8.892 -0.061 19654 8695 1 12 . 1 1 72 72 ASP N N 72 120.319 120.319 118.184 2.135 19654 8696 1 12 . 1 1 72 72 ASP HA H 72 4.422 4.422 4.341 0.081 19654 8697 1 12 . 1 1 72 72 ASP CA C 72 57.036 57.036 57.215 -0.179 19654 8698 1 12 . 1 1 72 72 ASP CB C 72 39.945 39.945 40.570 -0.625 19654 8699 1 12 . 1 1 72 72 ASP H H 72 8.167 8.167 8.170 -0.003 19654 8700 1 12 . 1 1 73 73 ASP N N 73 119.793 119.793 119.263 0.530 19654 8701 1 12 . 1 1 73 73 ASP HA H 73 4.521 4.521 4.392 0.129 19654 8702 1 12 . 1 1 73 73 ASP CA C 73 56.337 56.337 57.573 -1.236 19654 8703 1 12 . 1 1 73 73 ASP CB C 73 41.927 41.927 40.382 1.545 19654 8704 1 12 . 1 1 73 73 ASP H H 73 8.153 8.153 7.825 0.328 19654 8705 1 12 . 1 1 74 74 VAL N N 74 117.572 117.572 120.460 -2.888 19654 8706 1 12 . 1 1 74 74 VAL HA H 74 3.714 3.714 3.642 0.072 19654 8707 1 12 . 1 1 74 74 VAL CA C 74 65.498 65.498 66.140 -0.642 19654 8708 1 12 . 1 1 74 74 VAL CB C 74 31.077 31.077 31.621 -0.544 19654 8709 1 12 . 1 1 74 74 VAL H H 74 7.629 7.629 7.285 0.344 19654 8710 1 12 . 1 1 75 75 LYS N N 75 119.403 119.403 119.130 0.273 19654 8711 1 12 . 1 1 75 75 LYS HA H 75 4.154 4.154 3.980 0.174 19654 8712 1 12 . 1 1 75 75 LYS CA C 75 59.034 59.034 59.591 -0.557 19654 8713 1 12 . 1 1 75 75 LYS CB C 75 31.909 31.909 32.116 -0.207 19654 8714 1 12 . 1 1 75 75 LYS H H 75 7.961 7.961 8.060 -0.099 19654 8715 1 12 . 1 1 76 76 SER N N 76 114.355 114.355 116.197 -1.842 19654 8716 1 12 . 1 1 76 76 SER HA H 76 4.453 4.453 4.181 0.272 19654 8717 1 12 . 1 1 76 76 SER CA C 76 60.061 60.061 61.457 -1.396 19654 8718 1 12 . 1 1 76 76 SER CB C 76 63.023 63.023 63.180 -0.157 19654 8719 1 12 . 1 1 76 76 SER H H 76 7.919 7.919 7.924 -0.005 19654 8720 1 12 . 1 1 77 77 LEU N N 77 121.954 121.954 121.970 -0.016 19654 8721 1 12 . 1 1 77 77 LEU HA H 77 4.230 4.230 3.983 0.247 19654 8722 1 12 . 1 1 77 77 LEU CA C 77 56.764 56.764 57.733 -0.968 19654 8723 1 12 . 1 1 77 77 LEU CB C 77 41.695 41.695 41.415 0.280 19654 8724 1 12 . 1 1 77 77 LEU H H 77 7.883 7.883 8.196 -0.313 19654 8725 1 12 . 1 1 78 78 SER N N 78 115.268 115.268 114.138 1.130 19654 8726 1 12 . 1 1 78 78 SER HA H 78 3.962 3.962 4.059 -0.097 19654 8727 1 12 . 1 1 78 78 SER CA C 78 62.337 62.337 62.099 0.238 19654 8728 1 12 . 1 1 78 78 SER CB C 78 62.218 62.218 62.988 -0.770 19654 8729 1 12 . 1 1 78 78 SER H H 78 8.185 8.185 7.886 0.299 19654 8730 1 12 . 1 1 79 79 ARG N N 79 119.021 119.021 119.592 -0.571 19654 8731 1 12 . 1 1 79 79 ARG HA H 79 4.090 4.090 4.043 0.047 19654 8732 1 12 . 1 1 79 79 ARG CA C 79 58.849 58.849 58.572 0.277 19654 8733 1 12 . 1 1 79 79 ARG CB C 79 29.930 29.930 29.638 0.292 19654 8734 1 12 . 1 1 79 79 ARG H H 79 7.684 7.684 7.721 -0.037 19654 8735 1 12 . 1 1 80 80 VAL N N 80 116.979 116.979 120.813 -3.834 19654 8736 1 12 . 1 1 80 80 VAL HA H 80 3.953 3.953 3.900 0.053 19654 8737 1 12 . 1 1 80 80 VAL CA C 80 64.228 64.228 65.484 -1.256 19654 8738 1 12 . 1 1 80 80 VAL CB C 80 32.210 32.210 31.327 0.883 19654 8739 1 12 . 1 1 80 80 VAL H H 80 7.479 7.479 7.430 0.049 19654 8740 1 12 . 1 1 81 81 MET N N 81 117.822 117.822 118.689 -0.867 19654 8741 1 12 . 1 1 81 81 MET HA H 81 4.053 4.053 4.046 0.007 19654 8742 1 12 . 1 1 81 81 MET CA C 81 58.322 58.322 57.456 0.866 19654 8743 1 12 . 1 1 81 81 MET CB C 81 32.555 32.555 31.409 1.146 19654 8744 1 12 . 1 1 81 81 MET H H 81 8.104 8.104 8.318 -0.214 19654 8745 1 12 . 1 1 82 82 ILE N N 82 116.348 116.348 118.138 -1.790 19654 8746 1 12 . 1 1 82 82 ILE HA H 82 3.815 3.815 3.844 -0.029 19654 8747 1 12 . 1 1 82 82 ILE CA C 82 63.653 63.653 65.354 -1.701 19654 8748 1 12 . 1 1 82 82 ILE CB C 82 37.879 37.879 37.257 0.623 19654 8749 1 12 . 1 1 82 82 ILE H H 82 7.789 7.789 7.950 -0.161 19654 8750 1 12 . 1 1 83 83 HIS N N 83 118.994 118.994 118.951 0.043 19654 8751 1 12 . 1 1 83 83 HIS HA H 83 4.409 4.409 4.486 -0.077 19654 8752 1 12 . 1 1 83 83 HIS CA C 83 58.245 58.245 58.179 0.066 19654 8753 1 12 . 1 1 83 83 HIS CB C 83 29.735 29.735 28.936 0.799 19654 8754 1 12 . 1 1 83 83 HIS H H 83 7.543 7.543 7.306 0.237 19654 8755 1 12 . 1 1 84 84 VAL N N 84 117.112 117.112 119.934 -2.822 19654 8756 1 12 . 1 1 84 84 VAL HA H 84 3.631 3.631 3.610 0.021 19654 8757 1 12 . 1 1 84 84 VAL CA C 84 64.628 64.628 65.708 -1.080 19654 8758 1 12 . 1 1 84 84 VAL CB C 84 31.904 31.904 31.280 0.624 19654 8759 1 12 . 1 1 84 84 VAL H H 84 7.713 7.713 7.572 0.141 19654 8760 1 12 . 1 1 85 85 PHE N N 85 115.531 115.531 115.970 -0.439 19654 8761 1 12 . 1 1 85 85 PHE HA H 85 4.733 4.733 4.511 0.222 19654 8762 1 12 . 1 1 85 85 PHE CA C 85 57.326 57.326 57.700 -0.374 19654 8763 1 12 . 1 1 85 85 PHE CB C 85 39.507 39.507 38.078 1.429 19654 8764 1 12 . 1 1 85 85 PHE H H 85 7.743 7.743 7.441 0.302 19654 8765 1 12 . 1 1 86 86 SER N N 86 114.812 114.812 115.802 -0.990 19654 8766 1 12 . 1 1 86 86 SER HA H 86 4.275 4.275 4.208 0.067 19654 8767 1 12 . 1 1 86 86 SER CA C 86 59.832 59.832 60.813 -0.981 19654 8768 1 12 . 1 1 86 86 SER CB C 86 63.482 63.482 63.364 0.118 19654 8769 1 12 . 1 1 86 86 SER H H 86 7.634 7.634 7.927 -0.293 19654 8770 1 12 . 1 1 87 87 ASP N N 87 120.986 120.986 119.488 1.498 19654 8771 1 12 . 1 1 87 87 ASP HA H 87 4.491 4.491 4.662 -0.171 19654 8772 1 12 . 1 1 87 87 ASP CA C 87 54.032 54.032 54.942 -0.910 19654 8773 1 12 . 1 1 87 87 ASP CB C 87 40.411 40.411 41.386 -0.975 19654 8774 1 12 . 1 1 87 87 ASP H H 87 8.043 8.043 8.045 -0.002 19654 8775 1 12 . 1 1 88 88 GLY N N 88 108.171 108.171 108.926 -0.755 19654 8776 1 12 . 1 1 88 88 GLY CA C 88 44.981 44.981 45.433 -0.452 19654 8777 1 12 . 1 1 88 88 GLY H H 88 8.163 8.163 8.415 -0.252 19654 8778 1 12 . 1 1 89 89 VAL N N 89 121.716 121.716 114.105 7.611 19654 8779 1 12 . 1 1 89 89 VAL HA H 89 3.879 3.879 4.278 -0.399 19654 8780 1 12 . 1 1 89 89 VAL CA C 89 62.471 62.471 59.471 3.000 19654 8781 1 12 . 1 1 89 89 VAL CB C 89 32.418 32.418 32.889 -0.471 19654 8782 1 12 . 1 1 89 89 VAL H H 89 7.886 7.886 7.469 0.417 19654 8783 1 12 . 1 1 90 90 THR N N 90 121.669 121.669 114.581 7.088 19654 8784 1 12 . 1 1 90 90 THR HA H 90 3.657 3.657 3.624 0.033 19654 8785 1 12 . 1 1 90 90 THR CA C 90 62.473 62.473 64.225 -1.752 19654 8786 1 12 . 1 1 90 90 THR CB C 90 68.528 68.528 68.475 0.053 19654 8787 1 12 . 1 1 90 90 THR H H 90 8.201 8.201 8.362 -0.161 19654 8788 1 12 . 1 1 91 91 ASN HA H 91 4.162 4.162 3.554 0.608 19654 8789 1 12 . 1 1 91 91 ASN CA C 91 51.748 51.748 54.561 -2.813 19654 8790 1 12 . 1 1 91 91 ASN CB C 91 39.645 39.645 38.219 1.426 19654 8791 1 12 . 1 1 91 91 ASN H H 91 8.826 8.826 7.911 0.915 19654 8792 1 12 . 1 1 92 92 TRP N N 92 118.437 118.437 115.783 2.654 19654 8793 1 12 . 1 1 92 92 TRP HA H 92 4.739 4.739 4.289 0.450 19654 8794 1 12 . 1 1 92 92 TRP CA C 92 60.233 60.233 58.204 2.029 19654 8795 1 12 . 1 1 92 92 TRP CB C 92 30.167 30.167 26.196 3.971 19654 8796 1 12 . 1 1 92 92 TRP H H 92 8.942 8.942 7.631 1.311 19654 8797 1 12 . 1 1 93 93 GLY N N 93 108.154 108.154 106.203 1.951 19654 8798 1 12 . 1 1 93 93 GLY CA C 93 47.544 47.544 46.797 0.747 19654 8799 1 12 . 1 1 93 93 GLY H H 93 8.697 8.697 8.475 0.222 19654 8800 1 12 . 1 1 94 94 ARG N N 94 122.547 122.547 119.978 2.569 19654 8801 1 12 . 1 1 94 94 ARG HA H 94 4.072 4.072 4.105 -0.033 19654 8802 1 12 . 1 1 94 94 ARG CA C 94 58.556 58.556 58.164 0.392 19654 8803 1 12 . 1 1 94 94 ARG CB C 94 30.201 30.201 29.362 0.839 19654 8804 1 12 . 1 1 94 94 ARG H H 94 8.353 8.353 8.271 0.082 19654 8805 1 12 . 1 1 95 95 ILE N N 95 120.130 120.130 120.320 -0.190 19654 8806 1 12 . 1 1 95 95 ILE HA H 95 3.708 3.708 3.880 -0.172 19654 8807 1 12 . 1 1 95 95 ILE CA C 95 65.511 65.511 63.810 1.700 19654 8808 1 12 . 1 1 95 95 ILE CB C 95 37.486 37.486 36.779 0.707 19654 8809 1 12 . 1 1 95 95 ILE H H 95 7.545 7.545 7.840 -0.295 19654 8810 1 12 . 1 1 96 96 VAL N N 96 119.403 119.403 120.386 -0.983 19654 8811 1 12 . 1 1 96 96 VAL HA H 96 3.723 3.723 3.588 0.135 19654 8812 1 12 . 1 1 96 96 VAL CA C 96 67.249 67.249 67.381 -0.132 19654 8813 1 12 . 1 1 96 96 VAL CB C 96 31.001 31.001 31.235 -0.235 19654 8814 1 12 . 1 1 96 96 VAL H H 96 8.990 8.990 7.731 1.259 19654 8815 1 12 . 1 1 97 97 THR N N 97 122.016 122.016 116.560 5.456 19654 8816 1 12 . 1 1 97 97 THR HA H 97 3.784 3.784 3.888 -0.104 19654 8817 1 12 . 1 1 97 97 THR CA C 97 68.159 68.159 66.602 1.557 19654 8818 1 12 . 1 1 97 97 THR CB C 97 67.212 67.212 68.510 -1.298 19654 8819 1 12 . 1 1 97 97 THR H H 97 8.605 8.605 8.043 0.562 19654 8820 1 12 . 1 1 98 98 LEU N N 98 122.476 122.476 124.023 -1.547 19654 8821 1 12 . 1 1 98 98 LEU HA H 98 3.805 3.805 4.027 -0.222 19654 8822 1 12 . 1 1 98 98 LEU CA C 98 58.818 58.818 58.209 0.609 19654 8823 1 12 . 1 1 98 98 LEU CB C 98 41.158 41.158 41.685 -0.527 19654 8824 1 12 . 1 1 98 98 LEU H H 98 7.769 7.769 8.155 -0.386 19654 8825 1 12 . 1 1 99 99 ILE N N 99 117.997 117.997 118.074 -0.077 19654 8826 1 12 . 1 1 99 99 ILE HA H 99 3.509 3.509 3.657 -0.148 19654 8827 1 12 . 1 1 99 99 ILE CA C 99 66.261 66.261 65.481 0.780 19654 8828 1 12 . 1 1 99 99 ILE CB C 99 38.350 38.350 37.237 1.113 19654 8829 1 12 . 1 1 99 99 ILE H H 99 8.175 8.175 8.276 -0.101 19654 8830 1 12 . 1 1 100 100 SER N N 100 116.934 116.934 116.870 0.064 19654 8831 1 12 . 1 1 100 100 SER HA H 100 4.447 4.447 4.393 0.054 19654 8832 1 12 . 1 1 100 100 SER CA C 100 63.290 63.290 61.570 1.720 19654 8833 1 12 . 1 1 100 100 SER CB C 100 62.867 62.867 62.908 -0.042 19654 8834 1 12 . 1 1 100 100 SER H H 100 8.989 8.989 8.319 0.670 19654 8835 1 12 . 1 1 101 101 PHE N N 101 124.640 124.640 122.953 1.687 19654 8836 1 12 . 1 1 101 101 PHE HA H 101 3.420 3.420 4.234 -0.814 19654 8837 1 12 . 1 1 101 101 PHE CA C 101 60.499 60.499 59.684 0.815 19654 8838 1 12 . 1 1 101 101 PHE CB C 101 37.333 37.333 38.348 -1.015 19654 8839 1 12 . 1 1 101 101 PHE H H 101 8.513 8.513 8.764 -0.251 19654 8840 1 12 . 1 1 102 102 GLY N N 102 106.116 106.116 106.850 -0.734 19654 8841 1 12 . 1 1 102 102 GLY CA C 102 48.166 48.166 46.992 1.174 19654 8842 1 12 . 1 1 102 102 GLY H H 102 8.111 8.111 8.386 -0.275 19654 8843 1 12 . 1 1 103 103 ALA N N 103 124.560 124.560 124.902 -0.342 19654 8844 1 12 . 1 1 103 103 ALA HA H 103 3.780 3.780 4.019 -0.239 19654 8845 1 12 . 1 1 103 103 ALA CA C 103 55.646 55.646 55.052 0.594 19654 8846 1 12 . 1 1 103 103 ALA CB C 103 18.476 18.476 18.740 -0.264 19654 8847 1 12 . 1 1 103 103 ALA H H 103 8.437 8.437 8.294 0.143 19654 8848 1 12 . 1 1 104 104 PHE N N 104 120.981 120.981 120.217 0.764 19654 8849 1 12 . 1 1 104 104 PHE HA H 104 3.989 3.989 4.280 -0.291 19654 8850 1 12 . 1 1 104 104 PHE CA C 104 62.258 62.258 60.041 2.217 19654 8851 1 12 . 1 1 104 104 PHE CB C 104 39.949 39.949 39.201 0.748 19654 8852 1 12 . 1 1 104 104 PHE H H 104 8.213 8.213 8.470 -0.257 19654 8853 1 12 . 1 1 105 105 VAL N N 105 120.473 120.473 119.513 0.960 19654 8854 1 12 . 1 1 105 105 VAL HA H 105 3.236 3.236 3.216 0.020 19654 8855 1 12 . 1 1 105 105 VAL CA C 105 66.348 66.348 66.667 -0.319 19654 8856 1 12 . 1 1 105 105 VAL CB C 105 30.720 30.720 30.789 -0.069 19654 8857 1 12 . 1 1 105 105 VAL H H 105 8.513 8.513 8.179 0.334 19654 8858 1 12 . 1 1 106 106 ALA N N 106 123.948 123.948 123.449 0.499 19654 8859 1 12 . 1 1 106 106 ALA HA H 106 3.660 3.660 3.871 -0.211 19654 8860 1 12 . 1 1 106 106 ALA CA C 106 55.607 55.607 55.597 0.010 19654 8861 1 12 . 1 1 106 106 ALA CB C 106 18.003 18.003 18.273 -0.269 19654 8862 1 12 . 1 1 106 106 ALA H H 106 8.807 8.807 8.195 0.612 19654 8863 1 12 . 1 1 107 107 LYS N N 107 115.836 115.836 117.497 -1.661 19654 8864 1 12 . 1 1 107 107 LYS HA H 107 3.733 3.733 3.912 -0.179 19654 8865 1 12 . 1 1 107 107 LYS CA C 107 60.462 60.462 59.223 1.239 19654 8866 1 12 . 1 1 107 107 LYS CB C 107 31.907 31.907 32.016 -0.109 19654 8867 1 12 . 1 1 107 107 LYS H H 107 7.934 7.934 8.364 -0.430 19654 8868 1 12 . 1 1 108 108 HIS N N 108 120.459 120.459 120.426 0.033 19654 8869 1 12 . 1 1 108 108 HIS HA H 108 4.212 4.212 4.351 -0.139 19654 8870 1 12 . 1 1 108 108 HIS CA C 108 59.623 59.623 59.215 0.408 19654 8871 1 12 . 1 1 108 108 HIS CB C 108 29.838 29.838 29.621 0.217 19654 8872 1 12 . 1 1 108 108 HIS H H 108 7.254 7.254 7.699 -0.445 19654 8873 1 12 . 1 1 109 109 LEU N N 109 118.336 118.336 120.516 -2.180 19654 8874 1 12 . 1 1 109 109 LEU HA H 109 3.640 3.640 3.774 -0.134 19654 8875 1 12 . 1 1 109 109 LEU CA C 109 56.945 56.945 57.965 -1.020 19654 8876 1 12 . 1 1 109 109 LEU CB C 109 39.709 39.709 41.607 -1.898 19654 8877 1 12 . 1 1 109 109 LEU H H 109 8.709 8.709 8.320 0.389 19654 8878 1 12 . 1 1 110 110 LYS N N 110 118.036 118.036 119.341 -1.305 19654 8879 1 12 . 1 1 110 110 LYS HA H 110 3.944 3.944 3.971 -0.027 19654 8880 1 12 . 1 1 110 110 LYS CA C 110 58.967 58.967 59.533 -0.566 19654 8881 1 12 . 1 1 110 110 LYS CB C 110 32.220 32.220 32.261 -0.041 19654 8882 1 12 . 1 1 110 110 LYS H H 110 7.752 7.752 8.291 -0.539 19654 8883 1 12 . 1 1 111 111 THR N N 111 115.985 115.985 116.426 -0.441 19654 8884 1 12 . 1 1 111 111 THR HA H 111 3.990 3.990 4.004 -0.014 19654 8885 1 12 . 1 1 111 111 THR CA C 111 65.921 65.921 65.843 0.078 19654 8886 1 12 . 1 1 111 111 THR CB C 111 68.611 68.611 68.929 -0.318 19654 8887 1 12 . 1 1 111 111 THR H H 111 7.832 7.832 7.911 -0.079 19654 8888 1 12 . 1 1 112 112 ILE N N 112 112.606 112.606 113.691 -1.085 19654 8889 1 12 . 1 1 112 112 ILE HA H 112 4.454 4.454 4.392 0.062 19654 8890 1 12 . 1 1 112 112 ILE CA C 112 60.922 60.922 60.199 0.723 19654 8891 1 12 . 1 1 112 112 ILE CB C 112 36.813 36.813 37.581 -0.768 19654 8892 1 12 . 1 1 112 112 ILE H H 112 7.262 7.262 7.246 0.016 19654 8893 1 12 . 1 1 113 113 ASN N N 113 116.297 116.297 118.661 -2.364 19654 8894 1 12 . 1 1 113 113 ASN HA H 113 4.576 4.576 4.406 0.170 19654 8895 1 12 . 1 1 113 113 ASN CA C 113 54.653 54.653 54.590 0.063 19654 8896 1 12 . 1 1 113 113 ASN CB C 113 36.497 36.497 37.205 -0.708 19654 8897 1 12 . 1 1 113 113 ASN H H 113 7.816 7.816 7.941 -0.125 19654 8898 1 12 . 1 1 114 114 GLN N N 114 117.958 117.958 116.304 1.654 19654 8899 1 12 . 1 1 114 114 GLN HA H 114 4.739 4.739 4.489 0.250 19654 8900 1 12 . 1 1 114 114 GLN CA C 114 54.079 54.079 54.792 -0.713 19654 8901 1 12 . 1 1 114 114 GLN CB C 114 28.840 28.840 29.214 -0.374 19654 8902 1 12 . 1 1 114 114 GLN H H 114 8.522 8.522 8.249 0.273 19654 8903 1 12 . 1 1 115 115 GLU N N 115 120.597 120.597 120.849 -0.252 19654 8904 1 12 . 1 1 115 115 GLU HA H 115 3.646 3.646 3.906 -0.260 19654 8905 1 12 . 1 1 115 115 GLU CA C 115 59.569 59.569 59.896 -0.327 19654 8906 1 12 . 1 1 115 115 GLU CB C 115 29.061 29.061 28.987 0.074 19654 8907 1 12 . 1 1 115 115 GLU H H 115 8.881 8.881 8.684 0.197 19654 8908 1 12 . 1 1 116 116 SER N N 116 115.352 115.352 113.317 2.035 19654 8909 1 12 . 1 1 116 116 SER HA H 116 4.250 4.250 4.172 0.078 19654 8910 1 12 . 1 1 116 116 SER CA C 116 60.593 60.593 60.758 -0.165 19654 8911 1 12 . 1 1 116 116 SER CB C 116 62.231 62.231 62.727 -0.496 19654 8912 1 12 . 1 1 116 116 SER H H 116 8.702 8.702 8.428 0.274 19654 8913 1 12 . 1 1 117 117 SER N N 117 116.944 116.944 115.608 1.336 19654 8914 1 12 . 1 1 117 117 SER HA H 117 4.461 4.461 4.409 0.052 19654 8915 1 12 . 1 1 117 117 SER CA C 117 60.219 60.219 59.839 0.380 19654 8916 1 12 . 1 1 117 117 SER CB C 117 64.116 64.116 63.721 0.395 19654 8917 1 12 . 1 1 117 117 SER H H 117 7.963 7.963 7.870 0.093 19654 8918 1 12 . 1 1 118 118 ILE N N 118 122.505 122.505 122.619 -0.114 19654 8919 1 12 . 1 1 118 118 ILE HA H 118 3.419 3.419 3.565 -0.146 19654 8920 1 12 . 1 1 118 118 ILE CA C 118 66.227 66.227 65.443 0.784 19654 8921 1 12 . 1 1 118 118 ILE CB C 118 36.723 36.723 37.632 -0.909 19654 8922 1 12 . 1 1 118 118 ILE H H 118 7.945 7.945 7.782 0.163 19654 8923 1 12 . 1 1 119 119 GLU N N 119 119.604 119.604 119.543 0.061 19654 8924 1 12 . 1 1 119 119 GLU HA H 119 4.244 4.244 4.149 0.095 19654 8925 1 12 . 1 1 119 119 GLU CA C 119 61.540 61.540 61.245 0.295 19654 8926 1 12 . 1 1 119 119 GLU CB C 119 26.092 26.092 27.826 -1.734 19654 8927 1 12 . 1 1 119 119 GLU H H 119 8.244 8.244 8.056 0.188 19654 8928 1 12 . 1 1 120 120 PRO HA H 120 4.446 4.446 4.469 -0.023 19654 8929 1 12 . 1 1 120 120 PRO CA C 120 65.583 65.583 65.371 0.212 19654 8930 1 12 . 1 1 120 120 PRO CB C 120 30.167 30.167 31.459 -1.292 19654 8931 1 12 . 1 1 121 121 LEU N N 121 120.974 120.974 120.318 0.656 19654 8932 1 12 . 1 1 121 121 LEU HA H 121 3.990 3.990 4.077 -0.087 19654 8933 1 12 . 1 1 121 121 LEU CA C 121 58.436 58.436 57.482 0.954 19654 8934 1 12 . 1 1 121 121 LEU CB C 121 40.988 40.988 41.722 -0.734 19654 8935 1 12 . 1 1 121 121 LEU H H 121 7.587 7.587 7.982 -0.395 19654 8936 1 12 . 1 1 122 122 ALA N N 122 121.982 121.982 121.386 0.596 19654 8937 1 12 . 1 1 122 122 ALA HA H 122 3.743 3.743 3.904 -0.161 19654 8938 1 12 . 1 1 122 122 ALA CA C 122 55.233 55.233 55.285 -0.052 19654 8939 1 12 . 1 1 122 122 ALA CB C 122 17.687 17.687 17.891 -0.204 19654 8940 1 12 . 1 1 122 122 ALA H H 122 8.593 8.593 8.400 0.193 19654 8941 1 12 . 1 1 123 123 GLU N N 123 120.516 120.516 118.729 1.787 19654 8942 1 12 . 1 1 123 123 GLU HA H 123 3.862 3.862 3.976 -0.114 19654 8943 1 12 . 1 1 123 123 GLU CA C 123 59.995 59.995 59.361 0.634 19654 8944 1 12 . 1 1 123 123 GLU CB C 123 29.298 29.298 29.536 -0.238 19654 8945 1 12 . 1 1 123 123 GLU H H 123 8.568 8.568 8.406 0.162 19654 8946 1 12 . 1 1 124 124 SER N N 124 116.054 116.054 115.981 0.073 19654 8947 1 12 . 1 1 124 124 SER HA H 124 4.367 4.367 4.228 0.139 19654 8948 1 12 . 1 1 124 124 SER CA C 124 62.240 62.240 62.268 -0.028 19654 8949 1 12 . 1 1 124 124 SER CB C 124 63.074 63.074 62.701 0.373 19654 8950 1 12 . 1 1 124 124 SER H H 124 8.282 8.282 7.969 0.313 19654 8951 1 12 . 1 1 125 125 ILE N N 125 120.575 120.575 121.867 -1.292 19654 8952 1 12 . 1 1 125 125 ILE HA H 125 3.627 3.627 3.782 -0.155 19654 8953 1 12 . 1 1 125 125 ILE CA C 125 64.655 64.655 64.669 -0.014 19654 8954 1 12 . 1 1 125 125 ILE CB C 125 37.413 37.413 36.854 0.559 19654 8955 1 12 . 1 1 125 125 ILE H H 125 8.343 8.343 8.534 -0.191 19654 8956 1 12 . 1 1 126 126 THR N N 126 116.459 116.459 115.589 0.870 19654 8957 1 12 . 1 1 126 126 THR HA H 126 3.482 3.482 4.061 -0.579 19654 8958 1 12 . 1 1 126 126 THR CA C 126 68.679 68.679 67.093 1.586 19654 8959 1 12 . 1 1 126 126 THR CB C 126 67.075 67.075 68.087 -1.012 19654 8960 1 12 . 1 1 126 126 THR H H 126 8.056 8.056 8.116 -0.060 19654 8961 1 12 . 1 1 127 127 ASP N N 127 120.236 120.236 122.371 -2.135 19654 8962 1 12 . 1 1 127 127 ASP HA H 127 4.481 4.481 4.637 -0.156 19654 8963 1 12 . 1 1 127 127 ASP CA C 127 58.322 58.322 57.689 0.633 19654 8964 1 12 . 1 1 127 127 ASP CB C 127 41.822 41.822 40.942 0.880 19654 8965 1 12 . 1 1 127 127 ASP H H 127 8.813 8.813 8.398 0.415 19654 8966 1 12 . 1 1 128 128 VAL N N 128 116.904 116.904 119.200 -2.296 19654 8967 1 12 . 1 1 128 128 VAL HA H 128 3.677 3.677 3.750 -0.073 19654 8968 1 12 . 1 1 128 128 VAL CA C 128 66.346 66.346 66.344 0.002 19654 8969 1 12 . 1 1 128 128 VAL CB C 128 31.351 31.351 31.385 -0.034 19654 8970 1 12 . 1 1 128 128 VAL H H 128 7.949 7.949 7.972 -0.023 19654 8971 1 12 . 1 1 129 129 LEU N N 129 121.043 121.043 121.128 -0.085 19654 8972 1 12 . 1 1 129 129 LEU HA H 129 3.819 3.819 3.957 -0.138 19654 8973 1 12 . 1 1 129 129 LEU CA C 129 58.742 58.742 58.308 0.434 19654 8974 1 12 . 1 1 129 129 LEU CB C 129 42.370 42.370 41.958 0.412 19654 8975 1 12 . 1 1 129 129 LEU H H 129 8.198 8.198 7.608 0.590 19654 8976 1 12 . 1 1 130 130 VAL N N 130 114.370 114.370 117.332 -2.962 19654 8977 1 12 . 1 1 130 130 VAL HA H 130 3.525 3.525 3.781 -0.256 19654 8978 1 12 . 1 1 130 130 VAL CA C 130 66.004 66.004 66.168 -0.165 19654 8979 1 12 . 1 1 130 130 VAL CB C 130 31.320 31.320 31.650 -0.330 19654 8980 1 12 . 1 1 130 130 VAL H H 130 8.858 8.858 8.488 0.370 19654 8981 1 12 . 1 1 131 131 ARG N N 131 115.890 115.890 120.159 -4.269 19654 8982 1 12 . 1 1 131 131 ARG HA H 131 4.284 4.284 4.114 0.170 19654 8983 1 12 . 1 1 131 131 ARG CA C 131 59.255 59.255 58.909 0.346 19654 8984 1 12 . 1 1 131 131 ARG CB C 131 30.009 30.009 30.065 -0.056 19654 8985 1 12 . 1 1 131 131 ARG H H 131 8.619 8.619 8.222 0.397 19654 8986 1 12 . 1 1 132 132 THR N N 132 106.654 106.654 109.446 -2.792 19654 8987 1 12 . 1 1 132 132 THR HA H 132 4.464 4.464 4.387 0.077 19654 8988 1 12 . 1 1 132 132 THR CA C 132 64.081 64.081 63.205 0.876 19654 8989 1 12 . 1 1 132 132 THR CB C 132 69.870 69.870 69.835 0.035 19654 8990 1 12 . 1 1 132 132 THR H H 132 7.530 7.530 7.691 -0.161 19654 8991 1 12 . 1 1 133 133 LYS N N 133 117.426 117.426 121.140 -3.714 19654 8992 1 12 . 1 1 133 133 LYS HA H 133 5.029 5.029 4.804 0.225 19654 8993 1 12 . 1 1 133 133 LYS CA C 133 53.009 53.009 54.597 -1.588 19654 8994 1 12 . 1 1 133 133 LYS CB C 133 31.044 31.044 31.931 -0.887 19654 8995 1 12 . 1 1 133 133 LYS H H 133 7.691 7.691 7.821 -0.130 19654 8996 1 12 . 1 1 134 134 ARG N N 134 120.904 120.904 121.679 -0.775 19654 8997 1 12 . 1 1 134 134 ARG HA H 134 3.679 3.679 3.889 -0.210 19654 8998 1 12 . 1 1 134 134 ARG CA C 134 61.456 61.456 61.119 0.337 19654 8999 1 12 . 1 1 134 134 ARG CB C 134 30.261 30.261 30.148 0.113 19654 9000 1 12 . 1 1 134 134 ARG H H 134 7.341 7.341 7.644 -0.303 19654 9001 1 12 . 1 1 135 135 ASP N N 135 114.262 114.262 118.326 -4.064 19654 9002 1 12 . 1 1 135 135 ASP HA H 135 4.238 4.238 4.372 -0.134 19654 9003 1 12 . 1 1 135 135 ASP CA C 135 57.595 57.595 57.669 -0.074 19654 9004 1 12 . 1 1 135 135 ASP CB C 135 39.961 39.961 40.025 -0.064 19654 9005 1 12 . 1 1 135 135 ASP H H 135 8.386 8.386 8.861 -0.475 19654 9006 1 12 . 1 1 136 136 TRP N N 136 121.564 121.564 119.152 2.412 19654 9007 1 12 . 1 1 136 136 TRP HA H 136 3.858 3.858 4.379 -0.521 19654 9008 1 12 . 1 1 136 136 TRP CA C 136 62.373 62.373 60.526 1.847 19654 9009 1 12 . 1 1 136 136 TRP CB C 136 28.807 28.807 29.317 -0.510 19654 9010 1 12 . 1 1 136 136 TRP H H 136 7.844 7.844 8.052 -0.208 19654 9011 1 12 . 1 1 137 137 LEU N N 137 117.395 117.395 119.594 -2.199 19654 9012 1 12 . 1 1 137 137 LEU HA H 137 3.461 3.461 3.855 -0.394 19654 9013 1 12 . 1 1 137 137 LEU CA C 137 58.325 58.325 58.160 0.166 19654 9014 1 12 . 1 1 137 137 LEU CB C 137 42.979 42.979 41.599 1.380 19654 9015 1 12 . 1 1 137 137 LEU H H 137 8.623 8.623 8.127 0.496 19654 9016 1 12 . 1 1 138 138 VAL N N 138 118.341 118.341 118.210 0.131 19654 9017 1 12 . 1 1 138 138 VAL HA H 138 3.586 3.586 3.745 -0.159 19654 9018 1 12 . 1 1 138 138 VAL CA C 138 66.501 66.501 65.274 1.227 19654 9019 1 12 . 1 1 138 138 VAL CB C 138 31.588 31.588 32.082 -0.494 19654 9020 1 12 . 1 1 138 138 VAL H H 138 8.631 8.631 7.724 0.907 19654 9021 1 12 . 1 1 139 139 LYS N N 139 122.096 122.096 117.688 4.408 19654 9022 1 12 . 1 1 139 139 LYS HA H 139 3.941 3.941 4.073 -0.132 19654 9023 1 12 . 1 1 139 139 LYS CA C 139 58.925 58.925 58.713 0.212 19654 9024 1 12 . 1 1 139 139 LYS CB C 139 31.752 31.752 32.160 -0.408 19654 9025 1 12 . 1 1 139 139 LYS H H 139 7.695 7.695 8.319 -0.624 19654 9026 1 12 . 1 1 140 140 GLN N N 140 115.416 115.416 116.655 -1.239 19654 9027 1 12 . 1 1 140 140 GLN HA H 140 3.970 3.970 4.310 -0.340 19654 9028 1 12 . 1 1 140 140 GLN CA C 140 54.309 54.309 54.842 -0.533 19654 9029 1 12 . 1 1 140 140 GLN CB C 140 27.174 27.174 29.386 -2.212 19654 9030 1 12 . 1 1 140 140 GLN H H 140 7.344 7.344 7.913 -0.569 19654 9031 1 12 . 1 1 141 141 ARG N N 141 110.160 110.160 115.109 -4.949 19654 9032 1 12 . 1 1 141 141 ARG HA H 141 3.899 3.899 4.079 -0.180 19654 9033 1 12 . 1 1 141 141 ARG CA C 141 57.400 57.400 56.264 1.136 19654 9034 1 12 . 1 1 141 141 ARG CB C 141 25.640 25.640 27.483 -1.843 19654 9035 1 12 . 1 1 141 141 ARG H H 141 7.677 7.677 7.375 0.301 19654 9036 1 12 . 1 1 142 142 GLY N N 142 107.741 107.741 107.635 0.106 19654 9037 1 12 . 1 1 142 142 GLY CA C 142 45.633 45.633 46.495 -0.862 19654 9038 1 12 . 1 1 142 142 GLY H H 142 8.931 8.931 8.496 0.435 19654 9039 1 12 . 1 1 143 143 TRP N N 143 123.871 123.871 120.092 3.779 19654 9040 1 12 . 1 1 143 143 TRP HA H 143 4.273 4.273 4.466 -0.193 19654 9041 1 12 . 1 1 143 143 TRP CA C 143 59.317 59.317 58.303 1.014 19654 9042 1 12 . 1 1 143 143 TRP CB C 143 28.435 28.435 29.416 -0.981 19654 9043 1 12 . 1 1 143 143 TRP H H 143 9.004 9.004 7.806 1.198 19654 9044 1 12 . 1 1 144 144 ASP N N 144 119.481 119.481 119.891 -0.410 19654 9045 1 12 . 1 1 144 144 ASP HA H 144 4.553 4.553 4.589 -0.036 19654 9046 1 12 . 1 1 144 144 ASP CA C 144 57.825 57.825 57.213 0.612 19654 9047 1 12 . 1 1 144 144 ASP CB C 144 40.435 40.435 40.881 -0.446 19654 9048 1 12 . 1 1 144 144 ASP H H 144 8.071 8.071 7.683 0.388 19654 9049 1 12 . 1 1 145 145 GLY N N 145 109.653 109.653 108.277 1.376 19654 9050 1 12 . 1 1 145 145 GLY CA C 145 46.856 46.856 47.014 -0.158 19654 9051 1 12 . 1 1 145 145 GLY H H 145 7.493 7.493 8.652 -1.159 19654 9052 1 12 . 1 1 146 146 PHE N N 146 124.053 124.053 122.301 1.752 19654 9053 1 12 . 1 1 146 146 PHE HA H 146 2.455 2.455 4.150 -1.695 19654 9054 1 12 . 1 1 146 146 PHE CA C 146 60.349 60.349 60.380 -0.031 19654 9055 1 12 . 1 1 146 146 PHE CB C 146 38.607 38.607 39.269 -0.662 19654 9056 1 12 . 1 1 146 146 PHE H H 146 7.257 7.257 8.183 -0.926 19654 9057 1 12 . 1 1 147 147 VAL N N 147 116.525 116.525 117.496 -0.971 19654 9058 1 12 . 1 1 147 147 VAL HA H 147 3.298 3.298 3.658 -0.360 19654 9059 1 12 . 1 1 147 147 VAL CA C 147 66.080 66.080 65.640 0.440 19654 9060 1 12 . 1 1 147 147 VAL CB C 147 31.904 31.904 31.414 0.490 19654 9061 1 12 . 1 1 147 147 VAL H H 147 7.700 7.700 7.587 0.113 19654 9062 1 12 . 1 1 148 148 GLU N N 148 118.404 118.404 120.200 -1.796 19654 9063 1 12 . 1 1 148 148 GLU HA H 148 3.985 3.985 4.327 -0.342 19654 9064 1 12 . 1 1 148 148 GLU CA C 148 58.933 58.933 58.784 0.149 19654 9065 1 12 . 1 1 148 148 GLU CB C 148 29.535 29.535 28.924 0.611 19654 9066 1 12 . 1 1 148 148 GLU H H 148 7.801 7.801 7.781 0.020 19654 9067 1 12 . 1 1 149 149 PHE N N 149 120.305 120.305 120.198 0.107 19654 9068 1 12 . 1 1 149 149 PHE HA H 149 3.970 3.970 3.827 0.143 19654 9069 1 12 . 1 1 149 149 PHE CA C 149 61.341 61.341 60.657 0.684 19654 9070 1 12 . 1 1 149 149 PHE CB C 149 39.011 39.011 39.243 -0.232 19654 9071 1 12 . 1 1 149 149 PHE H H 149 8.358 8.358 7.903 0.455 19654 9072 1 12 . 1 1 150 150 PHE N N 150 112.582 112.582 111.796 0.786 19654 9073 1 12 . 1 1 150 150 PHE HA H 150 4.255 4.255 4.186 0.069 19654 9074 1 12 . 1 1 150 150 PHE CA C 150 59.075 59.075 59.043 0.032 19654 9075 1 12 . 1 1 150 150 PHE CB C 150 39.487 39.487 39.559 -0.071 19654 9076 1 12 . 1 1 150 150 PHE H H 150 6.927 6.927 7.373 -0.446 19654 9077 1 12 . 1 1 151 151 HIS N N 151 118.966 118.966 117.895 1.071 19654 9078 1 12 . 1 1 151 151 HIS HA H 151 4.370 4.370 4.502 -0.132 19654 9079 1 12 . 1 1 151 151 HIS CA C 151 56.788 56.788 56.652 0.136 19654 9080 1 12 . 1 1 151 151 HIS CB C 151 28.827 28.827 27.684 1.143 19654 9081 1 12 . 1 1 151 151 HIS H H 151 7.483 7.483 7.750 -0.267 19654 9082 1 12 . 1 1 152 152 VAL N N 152 120.499 120.499 120.559 -0.060 19654 9083 1 12 . 1 1 152 152 VAL HA H 152 3.950 3.950 4.003 -0.053 19654 9084 1 12 . 1 1 152 152 VAL CA C 152 62.110 62.110 64.397 -2.287 19654 9085 1 12 . 1 1 152 152 VAL CB C 152 32.593 32.593 33.102 -0.509 19654 9086 1 12 . 1 1 152 152 VAL H H 152 8.103 8.103 7.865 0.238 19654 9087 1 12 . 1 1 153 153 GLU N N 153 123.580 123.580 117.686 5.894 19654 9088 1 12 . 1 1 153 153 GLU HA H 153 4.162 4.162 4.314 -0.152 19654 9089 1 12 . 1 1 153 153 GLU CA C 153 56.433 56.433 55.339 1.094 19654 9090 1 12 . 1 1 153 153 GLU CB C 153 30.101 30.101 30.107 -0.006 19654 9091 1 12 . 1 1 153 153 GLU H H 153 8.446 8.446 8.375 0.071 19654 9092 1 12 . 1 1 154 154 ASP N N 154 120.964 120.964 119.244 1.720 19654 9093 1 12 . 1 1 154 154 ASP HA H 154 4.565 4.565 4.596 -0.031 19654 9094 1 12 . 1 1 154 154 ASP CA C 154 54.106 54.106 54.048 0.058 19654 9095 1 12 . 1 1 154 154 ASP CB C 154 40.836 40.836 42.182 -1.346 19654 9096 1 12 . 1 1 154 154 ASP H H 154 8.325 8.325 8.017 0.308 19654 9097 1 12 . 1 1 155 155 LEU N N 155 122.311 122.311 116.831 5.480 19654 9098 1 12 . 1 1 155 155 LEU HA H 155 4.230 4.230 4.538 -0.308 19654 9099 1 12 . 1 1 155 155 LEU CA C 155 55.340 55.340 54.668 0.672 19654 9100 1 12 . 1 1 155 155 LEU CB C 155 42.094 42.094 41.286 0.808 19654 9101 1 12 . 1 1 155 155 LEU H H 155 8.210 8.210 8.099 0.111 19654 9102 1 12 . 1 1 156 156 GLU N N 156 120.023 120.023 119.712 0.311 19654 9103 1 12 . 1 1 156 156 GLU HA H 156 4.218 4.218 3.852 0.366 19654 9104 1 12 . 1 1 156 156 GLU CA C 156 56.831 56.831 56.862 -0.031 19654 9105 1 12 . 1 1 156 156 GLU CB C 156 29.930 29.930 28.008 1.922 19654 9106 1 12 . 1 1 156 156 GLU H H 156 8.396 8.396 8.011 0.385 19654 9107 1 12 . 1 1 157 157 GLY N N 157 109.371 109.371 109.508 -0.137 19654 9108 1 12 . 1 1 157 157 GLY CA C 157 45.327 45.327 44.857 0.470 19654 9109 1 12 . 1 1 157 157 GLY H H 157 8.323 8.323 7.785 0.538 19654 9110 1 12 . 1 1 158 158 GLY N N 158 108.074 108.074 109.217 -1.143 19654 9111 1 12 . 1 1 158 158 GLY CA C 158 45.061 45.061 45.272 -0.211 19654 9112 1 12 . 1 1 158 158 GLY H H 158 8.226 8.226 8.317 -0.091 19654 9113 1 12 . 1 1 159 159 HIS N N 159 117.875 117.875 120.764 -2.889 19654 9114 1 12 . 1 1 159 159 HIS HA H 159 4.551 4.551 4.940 -0.389 19654 9115 1 12 . 1 1 159 159 HIS CA C 159 55.600 55.600 55.415 0.185 19654 9116 1 12 . 1 1 159 159 HIS CB C 159 29.800 29.800 29.561 0.239 19654 9117 1 12 . 1 1 159 159 HIS H H 159 8.210 8.210 8.491 -0.281 19654 9118 1 12 . 1 1 161 161 HIS N N 161 125.094 125.094 123.593 1.501 19654 9119 1 12 . 1 1 161 161 HIS HA H 161 4.585 4.585 4.393 0.192 19654 9120 1 12 . 1 1 161 161 HIS H H 161 8.162 8.162 9.226 -1.064 19654 9121 1 13 . 1 1 2 2 GLU HA H 2 4.333 4.333 4.479 -0.146 19654 9122 1 13 . 1 1 2 2 GLU CA C 2 56.183 56.183 55.781 0.402 19654 9123 1 13 . 1 1 2 2 GLU CB C 2 30.150 30.150 31.116 -0.966 19654 9124 1 13 . 1 1 3 3 ASP N N 3 122.553 122.553 123.180 -0.627 19654 9125 1 13 . 1 1 3 3 ASP HA H 3 4.729 4.729 4.544 0.185 19654 9126 1 13 . 1 1 3 3 ASP CA C 3 53.659 53.659 53.515 0.144 19654 9127 1 13 . 1 1 3 3 ASP CB C 3 41.319 41.319 42.507 -1.188 19654 9128 1 13 . 1 1 3 3 ASP H H 3 8.437 8.437 8.520 -0.083 19654 9129 1 13 . 1 1 4 4 GLU N N 4 125.121 125.121 119.290 5.831 19654 9130 1 13 . 1 1 4 4 GLU HA H 4 4.235 4.235 4.089 0.146 19654 9131 1 13 . 1 1 4 4 GLU CA C 4 58.915 58.915 59.444 -0.529 19654 9132 1 13 . 1 1 4 4 GLU CB C 4 29.274 29.274 29.741 -0.467 19654 9133 1 13 . 1 1 4 4 GLU H H 4 8.726 8.726 8.690 0.036 19654 9134 1 13 . 1 1 5 5 LEU N N 5 120.976 120.976 120.806 0.170 19654 9135 1 13 . 1 1 5 5 LEU HA H 5 4.517 4.517 4.154 0.363 19654 9136 1 13 . 1 1 5 5 LEU CA C 5 57.939 57.939 57.488 0.451 19654 9137 1 13 . 1 1 5 5 LEU CB C 5 40.917 40.917 41.676 -0.759 19654 9138 1 13 . 1 1 5 5 LEU H H 5 8.381 8.381 7.984 0.397 19654 9139 1 13 . 1 1 6 6 TYR N N 6 123.977 123.977 119.938 4.039 19654 9140 1 13 . 1 1 6 6 TYR HA H 6 3.865 3.865 4.099 -0.234 19654 9141 1 13 . 1 1 6 6 TYR CA C 6 62.721 62.721 62.307 0.414 19654 9142 1 13 . 1 1 6 6 TYR CB C 6 38.475 38.475 38.358 0.117 19654 9143 1 13 . 1 1 6 6 TYR H H 6 8.342 8.342 8.579 -0.237 19654 9144 1 13 . 1 1 7 7 ARG N N 7 118.301 118.301 118.803 -0.502 19654 9145 1 13 . 1 1 7 7 ARG HA H 7 3.828 3.828 3.934 -0.106 19654 9146 1 13 . 1 1 7 7 ARG CA C 7 59.619 59.619 59.185 0.434 19654 9147 1 13 . 1 1 7 7 ARG CB C 7 29.720 29.720 29.669 0.051 19654 9148 1 13 . 1 1 7 7 ARG H H 7 8.452 8.452 8.052 0.400 19654 9149 1 13 . 1 1 8 8 GLN N N 8 119.421 119.421 119.485 -0.064 19654 9150 1 13 . 1 1 8 8 GLN HA H 8 3.944 3.944 3.899 0.045 19654 9151 1 13 . 1 1 8 8 GLN CA C 8 58.827 58.827 59.639 -0.812 19654 9152 1 13 . 1 1 8 8 GLN CB C 8 28.918 28.918 28.635 0.283 19654 9153 1 13 . 1 1 8 8 GLN H H 8 8.894 8.894 8.691 0.203 19654 9154 1 13 . 1 1 9 9 SER N N 9 113.384 113.384 116.392 -3.008 19654 9155 1 13 . 1 1 9 9 SER HA H 9 4.007 4.007 4.016 -0.009 19654 9156 1 13 . 1 1 9 9 SER CA C 9 62.117 62.117 62.143 -0.026 19654 9157 1 13 . 1 1 9 9 SER CB C 9 63.544 63.544 63.183 0.361 19654 9158 1 13 . 1 1 9 9 SER H H 9 8.018 8.018 8.107 -0.089 19654 9159 1 13 . 1 1 10 10 LEU N N 10 121.112 121.112 123.960 -2.848 19654 9160 1 13 . 1 1 10 10 LEU HA H 10 4.130 4.130 4.064 0.066 19654 9161 1 13 . 1 1 10 10 LEU CA C 10 57.022 57.022 57.545 -0.523 19654 9162 1 13 . 1 1 10 10 LEU CB C 10 41.146 41.146 41.475 -0.329 19654 9163 1 13 . 1 1 10 10 LEU H H 10 8.599 8.599 8.189 0.410 19654 9164 1 13 . 1 1 11 11 GLU N N 11 120.653 120.653 119.715 0.938 19654 9165 1 13 . 1 1 11 11 GLU HA H 11 3.914 3.914 3.948 -0.034 19654 9166 1 13 . 1 1 11 11 GLU CA C 11 59.627 59.627 59.225 0.402 19654 9167 1 13 . 1 1 11 11 GLU CB C 11 29.298 29.298 29.152 0.146 19654 9168 1 13 . 1 1 11 11 GLU H H 11 7.806 7.806 8.233 -0.427 19654 9169 1 13 . 1 1 12 12 ILE N N 12 117.297 117.297 119.506 -2.209 19654 9170 1 13 . 1 1 12 12 ILE HA H 12 3.121 3.121 3.495 -0.374 19654 9171 1 13 . 1 1 12 12 ILE CA C 12 65.774 65.774 65.639 0.135 19654 9172 1 13 . 1 1 12 12 ILE CB C 12 39.143 39.143 37.583 1.560 19654 9173 1 13 . 1 1 12 12 ILE H H 12 7.401 7.401 7.488 -0.087 19654 9174 1 13 . 1 1 13 13 ILE N N 13 117.560 117.560 119.147 -1.587 19654 9175 1 13 . 1 1 13 13 ILE HA H 13 3.302 3.302 3.548 -0.246 19654 9176 1 13 . 1 1 13 13 ILE CA C 13 66.420 66.420 65.834 0.586 19654 9177 1 13 . 1 1 13 13 ILE CB C 13 37.714 37.714 37.638 0.076 19654 9178 1 13 . 1 1 13 13 ILE H H 13 8.378 8.378 8.134 0.244 19654 9179 1 13 . 1 1 14 14 SER N N 14 113.892 113.892 116.159 -2.267 19654 9180 1 13 . 1 1 14 14 SER HA H 14 3.889 3.889 4.004 -0.115 19654 9181 1 13 . 1 1 14 14 SER CA C 14 62.310 62.310 62.169 0.141 19654 9182 1 13 . 1 1 14 14 SER CB C 14 62.282 62.282 63.048 -0.766 19654 9183 1 13 . 1 1 14 14 SER H H 14 9.048 9.048 8.360 0.688 19654 9184 1 13 . 1 1 15 15 ARG N N 15 118.890 118.890 120.965 -2.075 19654 9185 1 13 . 1 1 15 15 ARG HA H 15 4.033 4.033 3.925 0.108 19654 9186 1 13 . 1 1 15 15 ARG CA C 15 59.496 59.496 59.790 -0.294 19654 9187 1 13 . 1 1 15 15 ARG CB C 15 29.727 29.727 29.977 -0.250 19654 9188 1 13 . 1 1 15 15 ARG H H 15 7.655 7.655 8.017 -0.362 19654 9189 1 13 . 1 1 16 16 TYR N N 16 119.757 119.757 120.860 -1.103 19654 9190 1 13 . 1 1 16 16 TYR HA H 16 4.146 4.146 4.130 0.016 19654 9191 1 13 . 1 1 16 16 TYR CA C 16 61.265 61.265 61.399 -0.134 19654 9192 1 13 . 1 1 16 16 TYR CB C 16 38.495 38.495 38.164 0.331 19654 9193 1 13 . 1 1 16 16 TYR H H 16 8.351 8.351 8.032 0.319 19654 9194 1 13 . 1 1 17 17 LEU N N 17 118.494 118.494 119.439 -0.945 19654 9195 1 13 . 1 1 17 17 LEU HA H 17 3.375 3.375 3.711 -0.336 19654 9196 1 13 . 1 1 17 17 LEU CA C 17 59.627 59.627 58.614 1.014 19654 9197 1 13 . 1 1 17 17 LEU CB C 17 39.949 39.949 41.097 -1.148 19654 9198 1 13 . 1 1 17 17 LEU H H 17 8.578 8.578 8.379 0.199 19654 9199 1 13 . 1 1 18 18 ARG N N 18 115.962 115.962 118.712 -2.750 19654 9200 1 13 . 1 1 18 18 ARG HA H 18 3.858 3.858 3.941 -0.083 19654 9201 1 13 . 1 1 18 18 ARG CA C 18 60.233 60.233 58.705 1.528 19654 9202 1 13 . 1 1 18 18 ARG CB C 18 29.993 29.993 29.352 0.641 19654 9203 1 13 . 1 1 18 18 ARG H H 18 8.044 8.044 7.844 0.200 19654 9204 1 13 . 1 1 19 19 GLU N N 19 120.998 120.998 119.630 1.368 19654 9205 1 13 . 1 1 19 19 GLU HA H 19 4.153 4.153 4.026 0.127 19654 9206 1 13 . 1 1 19 19 GLU CA C 19 58.857 58.857 59.203 -0.346 19654 9207 1 13 . 1 1 19 19 GLU CB C 19 29.661 29.661 29.012 0.649 19654 9208 1 13 . 1 1 19 19 GLU H H 19 8.268 8.268 8.555 -0.287 19654 9209 1 13 . 1 1 20 20 GLN N N 20 119.903 119.903 119.066 0.837 19654 9210 1 13 . 1 1 20 20 GLN HA H 20 3.715 3.715 3.990 -0.275 19654 9211 1 13 . 1 1 20 20 GLN CA C 20 58.008 58.008 57.940 0.068 19654 9212 1 13 . 1 1 20 20 GLN CB C 20 28.666 28.666 28.254 0.412 19654 9213 1 13 . 1 1 20 20 GLN H H 20 8.193 8.193 8.168 0.025 19654 9214 1 13 . 1 1 21 21 ALA N N 21 117.771 117.771 120.374 -2.603 19654 9215 1 13 . 1 1 21 21 ALA HA H 21 3.985 3.985 4.137 -0.152 19654 9216 1 13 . 1 1 21 21 ALA CA C 21 54.397 54.397 54.351 0.046 19654 9217 1 13 . 1 1 21 21 ALA CB C 21 20.022 20.022 18.936 1.086 19654 9218 1 13 . 1 1 21 21 ALA H H 21 7.883 7.883 7.786 0.097 19654 9219 1 13 . 1 1 22 22 THR N N 22 103.721 103.721 109.182 -5.461 19654 9220 1 13 . 1 1 22 22 THR HA H 22 4.279 4.279 4.280 -0.001 19654 9221 1 13 . 1 1 22 22 THR CA C 22 62.357 62.357 62.325 0.032 19654 9222 1 13 . 1 1 22 22 THR CB C 22 71.071 71.071 70.806 0.265 19654 9223 1 13 . 1 1 22 22 THR H H 22 8.024 8.024 7.967 0.057 19654 9224 1 13 . 1 1 23 23 GLY N N 23 111.610 111.610 111.009 0.601 19654 9225 1 13 . 1 1 23 23 GLY CA C 23 45.574 45.574 45.345 0.229 19654 9226 1 13 . 1 1 23 23 GLY H H 23 8.155 8.155 7.944 0.211 19654 9227 1 13 . 1 1 24 24 ALA N N 24 123.004 123.004 121.387 1.617 19654 9228 1 13 . 1 1 24 24 ALA HA H 24 4.526 4.526 4.805 -0.279 19654 9229 1 13 . 1 1 24 24 ALA CA C 24 50.763 50.763 51.060 -0.297 19654 9230 1 13 . 1 1 24 24 ALA CB C 24 20.186 20.186 21.754 -1.568 19654 9231 1 13 . 1 1 24 24 ALA H H 24 7.763 7.763 8.023 -0.260 19654 9232 1 13 . 1 1 25 25 LYS N N 25 121.392 121.392 118.720 2.672 19654 9233 1 13 . 1 1 25 25 LYS HA H 25 4.181 4.181 4.832 -0.651 19654 9234 1 13 . 1 1 25 25 LYS CA C 25 55.729 55.729 54.908 0.821 19654 9235 1 13 . 1 1 25 25 LYS CB C 25 33.175 33.175 34.398 -1.223 19654 9236 1 13 . 1 1 25 25 LYS H H 25 8.349 8.349 8.233 0.116 19654 9237 1 13 . 1 1 26 26 ASP N N 26 124.433 124.433 120.493 3.940 19654 9238 1 13 . 1 1 26 26 ASP HA H 26 4.618 4.618 4.686 -0.068 19654 9239 1 13 . 1 1 26 26 ASP CA C 26 53.735 53.735 53.965 -0.230 19654 9240 1 13 . 1 1 26 26 ASP CB C 26 41.402 41.402 41.958 -0.556 19654 9241 1 13 . 1 1 26 26 ASP H H 26 8.803 8.803 8.414 0.389 19654 9242 1 13 . 1 1 27 27 THR N N 27 116.332 116.332 116.297 0.035 19654 9243 1 13 . 1 1 27 27 THR HA H 27 4.249 4.249 4.383 -0.134 19654 9244 1 13 . 1 1 27 27 THR CA C 27 61.268 61.268 61.830 -0.562 19654 9245 1 13 . 1 1 27 27 THR CB C 27 68.993 68.993 69.746 -0.753 19654 9246 1 13 . 1 1 27 27 THR H H 27 8.363 8.363 8.137 0.226 19654 9247 1 13 . 1 1 28 28 LYS N N 28 125.551 125.551 123.544 2.007 19654 9248 1 13 . 1 1 28 28 LYS HA H 28 4.437 4.437 4.598 -0.161 19654 9249 1 13 . 1 1 28 28 LYS CA C 28 55.188 55.188 54.367 0.821 19654 9250 1 13 . 1 1 28 28 LYS CB C 28 31.409 31.409 31.952 -0.543 19654 9251 1 13 . 1 1 28 28 LYS H H 28 8.346 8.346 8.016 0.330 19654 9252 1 13 . 1 1 29 29 PRO HA H 29 4.392 4.392 4.428 -0.036 19654 9253 1 13 . 1 1 29 29 PRO CA C 29 63.164 63.164 63.019 0.145 19654 9254 1 13 . 1 1 29 29 PRO CB C 29 31.904 31.904 32.176 -0.272 19654 9255 1 13 . 1 1 30 30 MET N N 30 121.136 121.136 122.586 -1.450 19654 9256 1 13 . 1 1 30 30 MET HA H 30 4.381 4.381 4.414 -0.033 19654 9257 1 13 . 1 1 30 30 MET CA C 30 55.229 55.229 55.981 -0.752 19654 9258 1 13 . 1 1 30 30 MET CB C 30 33.819 33.819 33.418 0.401 19654 9259 1 13 . 1 1 30 30 MET H H 30 8.585 8.585 8.348 0.237 19654 9260 1 13 . 1 1 31 31 GLY N N 31 109.849 109.849 112.042 -2.193 19654 9261 1 13 . 1 1 31 31 GLY CA C 31 44.983 44.983 45.696 -0.713 19654 9262 1 13 . 1 1 31 31 GLY H H 31 8.930 8.930 8.662 0.268 19654 9263 1 13 . 1 1 32 32 ARG N N 32 121.001 121.001 118.725 2.276 19654 9264 1 13 . 1 1 32 32 ARG HA H 32 4.239 4.239 4.405 -0.166 19654 9265 1 13 . 1 1 32 32 ARG CA C 32 56.755 56.755 55.809 0.946 19654 9266 1 13 . 1 1 32 32 ARG CB C 32 30.110 30.110 30.812 -0.702 19654 9267 1 13 . 1 1 32 32 ARG H H 32 8.447 8.447 7.910 0.537 19654 9268 1 13 . 1 1 33 33 SER N N 33 119.991 119.991 115.713 4.278 19654 9269 1 13 . 1 1 33 33 SER HA H 33 4.386 4.386 4.631 -0.245 19654 9270 1 13 . 1 1 33 33 SER CA C 33 58.502 58.502 57.032 1.470 19654 9271 1 13 . 1 1 33 33 SER CB C 33 62.609 62.609 64.608 -1.999 19654 9272 1 13 . 1 1 33 33 SER H H 33 8.667 8.667 8.020 0.647 19654 9273 1 13 . 1 1 34 34 GLY N N 34 108.582 108.582 111.617 -3.035 19654 9274 1 13 . 1 1 34 34 GLY CA C 34 46.637 46.637 45.592 1.045 19654 9275 1 13 . 1 1 34 34 GLY H H 34 8.216 8.216 8.734 -0.518 19654 9276 1 13 . 1 1 35 35 ALA N N 35 123.445 123.445 124.790 -1.345 19654 9277 1 13 . 1 1 35 35 ALA HA H 35 4.193 4.193 3.992 0.201 19654 9278 1 13 . 1 1 35 35 ALA CA C 35 54.770 54.770 55.710 -0.940 19654 9279 1 13 . 1 1 35 35 ALA CB C 35 18.437 18.437 18.067 0.370 19654 9280 1 13 . 1 1 35 35 ALA H H 35 8.506 8.506 8.426 0.080 19654 9281 1 13 . 1 1 36 36 THR N N 36 115.716 115.716 114.388 1.328 19654 9282 1 13 . 1 1 36 36 THR HA H 36 3.919 3.919 3.964 -0.045 19654 9283 1 13 . 1 1 36 36 THR CA C 36 67.249 67.249 66.897 0.352 19654 9284 1 13 . 1 1 36 36 THR CB C 36 68.225 68.225 68.536 -0.311 19654 9285 1 13 . 1 1 36 36 THR H H 36 8.262 8.262 8.363 -0.101 19654 9286 1 13 . 1 1 37 37 SER N N 37 117.911 117.911 117.522 0.389 19654 9287 1 13 . 1 1 37 37 SER HA H 37 3.869 3.869 4.030 -0.161 19654 9288 1 13 . 1 1 37 37 SER CA C 37 62.333 62.333 61.556 0.777 19654 9289 1 13 . 1 1 37 37 SER CB C 37 62.333 62.333 62.687 -0.354 19654 9290 1 13 . 1 1 37 37 SER H H 37 8.389 8.389 7.853 0.536 19654 9291 1 13 . 1 1 38 38 ARG N N 38 120.924 120.924 122.414 -1.490 19654 9292 1 13 . 1 1 38 38 ARG HA H 38 3.901 3.901 3.964 -0.063 19654 9293 1 13 . 1 1 38 38 ARG CA C 38 59.923 59.923 59.836 0.087 19654 9294 1 13 . 1 1 38 38 ARG CB C 38 29.759 29.759 30.270 -0.511 19654 9295 1 13 . 1 1 38 38 ARG H H 38 8.278 8.278 7.769 0.509 19654 9296 1 13 . 1 1 39 39 LYS N N 39 119.172 119.172 119.263 -0.091 19654 9297 1 13 . 1 1 39 39 LYS HA H 39 4.151 4.151 4.359 -0.208 19654 9298 1 13 . 1 1 39 39 LYS CA C 39 59.086 59.086 59.201 -0.115 19654 9299 1 13 . 1 1 39 39 LYS CB C 39 32.807 32.807 32.024 0.783 19654 9300 1 13 . 1 1 39 39 LYS H H 39 7.930 7.930 8.438 -0.508 19654 9301 1 13 . 1 1 40 40 ALA N N 40 125.586 125.586 123.397 2.189 19654 9302 1 13 . 1 1 40 40 ALA HA H 40 4.175 4.175 4.348 -0.173 19654 9303 1 13 . 1 1 40 40 ALA CA C 40 55.633 55.633 55.020 0.612 19654 9304 1 13 . 1 1 40 40 ALA CB C 40 18.675 18.675 18.572 0.103 19654 9305 1 13 . 1 1 40 40 ALA H H 40 9.192 9.192 7.837 1.355 19654 9306 1 13 . 1 1 41 41 LEU N N 41 120.080 120.080 120.332 -0.252 19654 9307 1 13 . 1 1 41 41 LEU HA H 41 3.930 3.930 3.900 0.030 19654 9308 1 13 . 1 1 41 41 LEU CA C 41 58.169 58.169 58.011 0.158 19654 9309 1 13 . 1 1 41 41 LEU CB C 41 41.683 41.683 41.732 -0.049 19654 9310 1 13 . 1 1 41 41 LEU H H 41 8.209 8.209 8.162 0.047 19654 9311 1 13 . 1 1 42 42 GLU N N 42 117.875 117.875 117.300 0.575 19654 9312 1 13 . 1 1 42 42 GLU HA H 42 3.977 3.977 4.008 -0.031 19654 9313 1 13 . 1 1 42 42 GLU CA C 42 59.335 59.335 59.325 0.010 19654 9314 1 13 . 1 1 42 42 GLU CB C 42 29.176 29.176 28.993 0.183 19654 9315 1 13 . 1 1 42 42 GLU H H 42 8.197 8.197 8.794 -0.597 19654 9316 1 13 . 1 1 43 43 THR N N 43 116.912 116.912 117.833 -0.921 19654 9317 1 13 . 1 1 43 43 THR HA H 43 3.793 3.793 4.010 -0.217 19654 9318 1 13 . 1 1 43 43 THR CA C 43 67.517 67.517 66.545 0.972 19654 9319 1 13 . 1 1 43 43 THR CB C 43 68.089 68.089 68.577 -0.488 19654 9320 1 13 . 1 1 43 43 THR H H 43 8.183 8.183 7.777 0.406 19654 9321 1 13 . 1 1 44 44 LEU N N 44 123.099 123.099 121.056 2.043 19654 9322 1 13 . 1 1 44 44 LEU HA H 44 3.699 3.699 3.808 -0.109 19654 9323 1 13 . 1 1 44 44 LEU CA C 44 58.261 58.261 57.901 0.360 19654 9324 1 13 . 1 1 44 44 LEU CB C 44 40.988 40.988 41.046 -0.058 19654 9325 1 13 . 1 1 44 44 LEU H H 44 8.509 8.509 8.476 0.033 19654 9326 1 13 . 1 1 45 45 ARG N N 45 116.885 116.885 117.831 -0.946 19654 9327 1 13 . 1 1 45 45 ARG HA H 45 4.125 4.125 4.313 -0.188 19654 9328 1 13 . 1 1 45 45 ARG CA C 45 59.617 59.617 59.734 -0.117 19654 9329 1 13 . 1 1 45 45 ARG CB C 45 30.423 30.423 30.051 0.372 19654 9330 1 13 . 1 1 45 45 ARG H H 45 8.398 8.398 7.685 0.713 19654 9331 1 13 . 1 1 46 46 ARG N N 46 117.297 117.297 119.635 -2.338 19654 9332 1 13 . 1 1 46 46 ARG HA H 46 4.229 4.229 4.137 0.092 19654 9333 1 13 . 1 1 46 46 ARG CA C 46 58.427 58.427 59.059 -0.633 19654 9334 1 13 . 1 1 46 46 ARG CB C 46 30.408 30.408 30.116 0.292 19654 9335 1 13 . 1 1 46 46 ARG H H 46 7.421 7.421 8.005 -0.584 19654 9336 1 13 . 1 1 47 47 VAL N N 47 114.304 114.304 114.469 -0.165 19654 9337 1 13 . 1 1 47 47 VAL HA H 47 4.094 4.094 4.165 -0.071 19654 9338 1 13 . 1 1 47 47 VAL CA C 47 63.242 63.242 64.237 -0.995 19654 9339 1 13 . 1 1 47 47 VAL CB C 47 32.378 32.378 31.564 0.813 19654 9340 1 13 . 1 1 47 47 VAL H H 47 8.515 8.515 8.347 0.168 19654 9341 1 13 . 1 1 48 48 GLY N N 48 110.132 110.132 109.332 0.800 19654 9342 1 13 . 1 1 48 48 GLY CA C 48 46.588 46.588 47.447 -0.859 19654 9343 1 13 . 1 1 48 48 GLY H H 48 8.890 8.890 8.096 0.794 19654 9344 1 13 . 1 1 49 49 ASP N N 49 121.292 121.292 122.924 -1.632 19654 9345 1 13 . 1 1 49 49 ASP HA H 49 4.456 4.456 4.599 -0.143 19654 9346 1 13 . 1 1 49 49 ASP CA C 49 57.787 57.787 57.782 0.005 19654 9347 1 13 . 1 1 49 49 ASP CB C 49 40.912 40.912 40.853 0.059 19654 9348 1 13 . 1 1 49 49 ASP H H 49 7.392 7.392 8.081 -0.689 19654 9349 1 13 . 1 1 50 50 GLY N N 50 106.682 106.682 108.109 -1.427 19654 9350 1 13 . 1 1 50 50 GLY CA C 50 46.932 46.932 47.364 -0.432 19654 9351 1 13 . 1 1 50 50 GLY H H 50 8.132 8.132 7.585 0.547 19654 9352 1 13 . 1 1 51 51 VAL N N 51 121.747 121.747 122.603 -0.856 19654 9353 1 13 . 1 1 51 51 VAL HA H 51 3.944 3.944 3.521 0.423 19654 9354 1 13 . 1 1 51 51 VAL CA C 51 66.355 66.355 66.362 -0.007 19654 9355 1 13 . 1 1 51 51 VAL CB C 51 31.594 31.594 31.384 0.210 19654 9356 1 13 . 1 1 51 51 VAL H H 51 7.476 7.476 8.226 -0.750 19654 9357 1 13 . 1 1 52 52 GLN N N 52 118.494 118.494 119.158 -0.664 19654 9358 1 13 . 1 1 52 52 GLN HA H 52 3.913 3.913 4.063 -0.150 19654 9359 1 13 . 1 1 52 52 GLN CA C 52 60.391 60.391 59.274 1.117 19654 9360 1 13 . 1 1 52 52 GLN CB C 52 29.682 29.682 28.730 0.952 19654 9361 1 13 . 1 1 52 52 GLN H H 52 8.439 8.439 8.413 0.026 19654 9362 1 13 . 1 1 53 53 ARG N N 53 116.807 116.807 117.335 -0.528 19654 9363 1 13 . 1 1 53 53 ARG HA H 53 4.163 4.163 4.059 0.104 19654 9364 1 13 . 1 1 53 53 ARG CA C 53 59.086 59.086 59.225 -0.139 19654 9365 1 13 . 1 1 53 53 ARG CB C 53 30.009 30.009 30.236 -0.227 19654 9366 1 13 . 1 1 53 53 ARG H H 53 7.873 7.873 8.163 -0.290 19654 9367 1 13 . 1 1 54 54 ASN N N 54 116.356 116.356 114.755 1.601 19654 9368 1 13 . 1 1 54 54 ASN HA H 54 4.448 4.448 4.719 -0.271 19654 9369 1 13 . 1 1 54 54 ASN CA C 54 54.694 54.694 55.015 -0.321 19654 9370 1 13 . 1 1 54 54 ASN CB C 54 38.302 38.302 38.705 -0.403 19654 9371 1 13 . 1 1 54 54 ASN H H 54 8.123 8.123 7.675 0.448 19654 9372 1 13 . 1 1 55 55 HIS N N 55 114.809 114.809 118.247 -3.438 19654 9373 1 13 . 1 1 55 55 HIS HA H 55 4.504 4.504 4.289 0.215 19654 9374 1 13 . 1 1 55 55 HIS CA C 55 55.949 55.949 57.337 -1.389 19654 9375 1 13 . 1 1 55 55 HIS CB C 55 28.341 28.341 30.370 -2.030 19654 9376 1 13 . 1 1 55 55 HIS H H 55 7.558 7.558 8.338 -0.780 19654 9377 1 13 . 1 1 56 56 GLU N N 56 121.943 121.943 120.733 1.210 19654 9378 1 13 . 1 1 56 56 GLU HA H 56 3.640 3.640 3.468 0.172 19654 9379 1 13 . 1 1 56 56 GLU CA C 56 61.360 61.360 59.848 1.512 19654 9380 1 13 . 1 1 56 56 GLU CB C 56 30.006 30.006 29.190 0.816 19654 9381 1 13 . 1 1 56 56 GLU H H 56 7.071 7.071 8.431 -1.360 19654 9382 1 13 . 1 1 57 57 THR N N 57 112.827 112.827 113.541 -0.714 19654 9383 1 13 . 1 1 57 57 THR HA H 57 3.984 3.984 4.078 -0.094 19654 9384 1 13 . 1 1 57 57 THR CA C 57 66.247 66.247 65.186 1.061 19654 9385 1 13 . 1 1 57 57 THR CB C 57 68.002 68.002 68.570 -0.568 19654 9386 1 13 . 1 1 57 57 THR H H 57 8.324 8.324 8.320 0.004 19654 9387 1 13 . 1 1 58 58 ALA N N 58 126.520 126.520 123.344 3.176 19654 9388 1 13 . 1 1 58 58 ALA HA H 58 4.147 4.147 4.185 -0.038 19654 9389 1 13 . 1 1 58 58 ALA CA C 58 54.707 54.707 54.194 0.513 19654 9390 1 13 . 1 1 58 58 ALA CB C 58 17.734 17.734 18.286 -0.552 19654 9391 1 13 . 1 1 58 58 ALA H H 58 7.910 7.910 7.334 0.576 19654 9392 1 13 . 1 1 59 59 PHE N N 59 119.326 119.326 117.532 1.794 19654 9393 1 13 . 1 1 59 59 PHE HA H 59 4.518 4.518 4.383 0.135 19654 9394 1 13 . 1 1 59 59 PHE CA C 59 56.946 56.946 58.781 -1.835 19654 9395 1 13 . 1 1 59 59 PHE CB C 59 34.583 34.583 38.199 -3.616 19654 9396 1 13 . 1 1 59 59 PHE H H 59 9.017 9.017 7.565 1.452 19654 9397 1 13 . 1 1 60 60 GLN N N 60 119.670 119.670 119.138 0.532 19654 9398 1 13 . 1 1 60 60 GLN HA H 60 4.232 4.232 4.145 0.087 19654 9399 1 13 . 1 1 60 60 GLN CA C 60 59.359 59.359 59.873 -0.514 19654 9400 1 13 . 1 1 60 60 GLN CB C 60 28.009 28.009 28.085 -0.076 19654 9401 1 13 . 1 1 60 60 GLN H H 60 8.678 8.678 8.800 -0.122 19654 9402 1 13 . 1 1 61 61 GLY N N 61 106.140 106.140 104.817 1.323 19654 9403 1 13 . 1 1 61 61 GLY CA C 61 47.085 47.085 46.695 0.390 19654 9404 1 13 . 1 1 61 61 GLY H H 61 7.975 7.975 8.712 -0.737 19654 9405 1 13 . 1 1 62 62 MET N N 62 120.973 120.973 120.237 0.736 19654 9406 1 13 . 1 1 62 62 MET HA H 62 4.080 4.080 4.410 -0.330 19654 9407 1 13 . 1 1 62 62 MET CA C 62 58.752 58.752 57.909 0.843 19654 9408 1 13 . 1 1 62 62 MET CB C 62 33.824 33.824 32.967 0.858 19654 9409 1 13 . 1 1 62 62 MET H H 62 8.007 8.007 7.726 0.281 19654 9410 1 13 . 1 1 63 63 LEU N N 63 119.043 119.043 121.747 -2.704 19654 9411 1 13 . 1 1 63 63 LEU HA H 63 4.139 4.139 4.014 0.125 19654 9412 1 13 . 1 1 63 63 LEU CA C 63 57.645 57.645 58.328 -0.683 19654 9413 1 13 . 1 1 63 63 LEU CB C 63 42.173 42.173 41.606 0.567 19654 9414 1 13 . 1 1 63 63 LEU H H 63 8.394 8.394 8.710 -0.316 19654 9415 1 13 . 1 1 64 64 ARG N N 64 117.294 117.294 117.259 0.035 19654 9416 1 13 . 1 1 64 64 ARG HA H 64 4.090 4.090 4.020 0.070 19654 9417 1 13 . 1 1 64 64 ARG CA C 64 58.551 58.551 58.988 -0.437 19654 9418 1 13 . 1 1 64 64 ARG CB C 64 29.772 29.772 30.166 -0.394 19654 9419 1 13 . 1 1 64 64 ARG H H 64 7.912 7.912 7.880 0.032 19654 9420 1 13 . 1 1 65 65 LYS N N 65 116.840 116.840 117.785 -0.945 19654 9421 1 13 . 1 1 65 65 LYS HA H 65 4.165 4.165 4.225 -0.060 19654 9422 1 13 . 1 1 65 65 LYS CA C 65 57.175 57.175 57.748 -0.573 19654 9423 1 13 . 1 1 65 65 LYS CB C 65 32.299 32.299 31.722 0.577 19654 9424 1 13 . 1 1 65 65 LYS H H 65 7.506 7.506 7.768 -0.262 19654 9425 1 13 . 1 1 66 66 LEU N N 66 119.257 119.257 120.398 -1.141 19654 9426 1 13 . 1 1 66 66 LEU HA H 66 4.232 4.232 4.267 -0.035 19654 9427 1 13 . 1 1 66 66 LEU CA C 66 55.442 55.442 56.284 -0.842 19654 9428 1 13 . 1 1 66 66 LEU CB C 66 43.042 43.042 42.324 0.718 19654 9429 1 13 . 1 1 66 66 LEU H H 66 7.736 7.736 7.471 0.265 19654 9430 1 13 . 1 1 67 67 ASP N N 67 119.743 119.743 118.670 1.073 19654 9431 1 13 . 1 1 67 67 ASP HA H 67 4.457 4.457 4.212 0.245 19654 9432 1 13 . 1 1 67 67 ASP CA C 67 53.850 53.850 54.513 -0.663 19654 9433 1 13 . 1 1 67 67 ASP CB C 67 40.195 40.195 40.776 -0.581 19654 9434 1 13 . 1 1 67 67 ASP H H 67 8.068 8.068 7.944 0.124 19654 9435 1 13 . 1 1 68 68 ILE N N 68 120.055 120.055 122.496 -2.441 19654 9436 1 13 . 1 1 68 68 ILE HA H 68 3.870 3.870 4.022 -0.152 19654 9437 1 13 . 1 1 68 68 ILE CA C 68 61.524 61.524 61.583 -0.059 19654 9438 1 13 . 1 1 68 68 ILE CB C 68 37.986 37.986 36.633 1.353 19654 9439 1 13 . 1 1 68 68 ILE H H 68 8.275 8.275 8.452 -0.177 19654 9440 1 13 . 1 1 69 69 LYS N N 69 126.186 126.186 126.085 0.101 19654 9441 1 13 . 1 1 69 69 LYS HA H 69 4.481 4.481 4.307 0.174 19654 9442 1 13 . 1 1 69 69 LYS CA C 69 56.304 56.304 56.059 0.245 19654 9443 1 13 . 1 1 69 69 LYS CB C 69 34.136 34.136 33.205 0.931 19654 9444 1 13 . 1 1 69 69 LYS H H 69 9.722 9.722 8.701 1.021 19654 9445 1 13 . 1 1 70 70 ASN N N 70 115.056 115.056 115.701 -0.645 19654 9446 1 13 . 1 1 70 70 ASN HA H 70 4.700 4.700 4.773 -0.073 19654 9447 1 13 . 1 1 70 70 ASN CA C 70 51.977 51.977 52.291 -0.314 19654 9448 1 13 . 1 1 70 70 ASN CB C 70 39.474 39.474 39.588 -0.114 19654 9449 1 13 . 1 1 70 70 ASN H H 70 7.959 7.959 8.142 -0.183 19654 9450 1 13 . 1 1 71 71 GLU N N 71 118.214 118.214 119.636 -1.422 19654 9451 1 13 . 1 1 71 71 GLU HA H 71 3.967 3.967 3.893 0.074 19654 9452 1 13 . 1 1 71 71 GLU CA C 71 59.354 59.354 60.113 -0.759 19654 9453 1 13 . 1 1 71 71 GLU CB C 71 29.520 29.520 29.589 -0.069 19654 9454 1 13 . 1 1 71 71 GLU H H 71 8.831 8.831 8.894 -0.063 19654 9455 1 13 . 1 1 72 72 ASP N N 72 120.319 120.319 117.689 2.630 19654 9456 1 13 . 1 1 72 72 ASP HA H 72 4.422 4.422 4.352 0.070 19654 9457 1 13 . 1 1 72 72 ASP CA C 72 57.036 57.036 57.344 -0.308 19654 9458 1 13 . 1 1 72 72 ASP CB C 72 39.945 39.945 40.538 -0.593 19654 9459 1 13 . 1 1 72 72 ASP H H 72 8.167 8.167 8.101 0.066 19654 9460 1 13 . 1 1 73 73 ASP N N 73 119.793 119.793 119.286 0.507 19654 9461 1 13 . 1 1 73 73 ASP HA H 73 4.521 4.521 4.408 0.113 19654 9462 1 13 . 1 1 73 73 ASP CA C 73 56.337 56.337 57.632 -1.295 19654 9463 1 13 . 1 1 73 73 ASP CB C 73 41.927 41.927 40.516 1.411 19654 9464 1 13 . 1 1 73 73 ASP H H 73 8.153 8.153 7.978 0.175 19654 9465 1 13 . 1 1 74 74 VAL N N 74 117.572 117.572 120.856 -3.284 19654 9466 1 13 . 1 1 74 74 VAL HA H 74 3.714 3.714 3.673 0.041 19654 9467 1 13 . 1 1 74 74 VAL CA C 74 65.498 65.498 66.242 -0.744 19654 9468 1 13 . 1 1 74 74 VAL CB C 74 31.077 31.077 31.664 -0.587 19654 9469 1 13 . 1 1 74 74 VAL H H 74 7.629 7.629 7.252 0.377 19654 9470 1 13 . 1 1 75 75 LYS N N 75 119.403 119.403 119.121 0.282 19654 9471 1 13 . 1 1 75 75 LYS HA H 75 4.154 4.154 4.060 0.094 19654 9472 1 13 . 1 1 75 75 LYS CA C 75 59.034 59.034 59.229 -0.195 19654 9473 1 13 . 1 1 75 75 LYS CB C 75 31.909 31.909 31.991 -0.083 19654 9474 1 13 . 1 1 75 75 LYS H H 75 7.961 7.961 8.072 -0.111 19654 9475 1 13 . 1 1 76 76 SER N N 76 114.355 114.355 115.839 -1.484 19654 9476 1 13 . 1 1 76 76 SER HA H 76 4.453 4.453 4.191 0.262 19654 9477 1 13 . 1 1 76 76 SER CA C 76 60.061 60.061 60.996 -0.935 19654 9478 1 13 . 1 1 76 76 SER CB C 76 63.023 63.023 62.958 0.065 19654 9479 1 13 . 1 1 76 76 SER H H 76 7.919 7.919 8.034 -0.115 19654 9480 1 13 . 1 1 77 77 LEU N N 77 121.954 121.954 122.100 -0.146 19654 9481 1 13 . 1 1 77 77 LEU HA H 77 4.230 4.230 4.021 0.209 19654 9482 1 13 . 1 1 77 77 LEU CA C 77 56.764 56.764 57.709 -0.945 19654 9483 1 13 . 1 1 77 77 LEU CB C 77 41.695 41.695 41.644 0.051 19654 9484 1 13 . 1 1 77 77 LEU H H 77 7.883 7.883 8.239 -0.356 19654 9485 1 13 . 1 1 78 78 SER N N 78 115.268 115.268 114.785 0.483 19654 9486 1 13 . 1 1 78 78 SER HA H 78 3.962 3.962 4.101 -0.139 19654 9487 1 13 . 1 1 78 78 SER CA C 78 62.337 62.337 61.719 0.618 19654 9488 1 13 . 1 1 78 78 SER CB C 78 62.218 62.218 62.774 -0.556 19654 9489 1 13 . 1 1 78 78 SER H H 78 8.185 8.185 8.038 0.147 19654 9490 1 13 . 1 1 79 79 ARG N N 79 119.021 119.021 121.207 -2.186 19654 9491 1 13 . 1 1 79 79 ARG HA H 79 4.090 4.090 4.214 -0.124 19654 9492 1 13 . 1 1 79 79 ARG CA C 79 58.849 58.849 58.484 0.365 19654 9493 1 13 . 1 1 79 79 ARG CB C 79 29.930 29.930 29.738 0.192 19654 9494 1 13 . 1 1 79 79 ARG H H 79 7.684 7.684 7.614 0.070 19654 9495 1 13 . 1 1 80 80 VAL N N 80 116.979 116.979 121.087 -4.108 19654 9496 1 13 . 1 1 80 80 VAL HA H 80 3.953 3.953 3.591 0.362 19654 9497 1 13 . 1 1 80 80 VAL CA C 80 64.228 64.228 66.588 -2.360 19654 9498 1 13 . 1 1 80 80 VAL CB C 80 32.210 32.210 31.571 0.639 19654 9499 1 13 . 1 1 80 80 VAL H H 80 7.479 7.479 7.447 0.032 19654 9500 1 13 . 1 1 81 81 MET N N 81 117.822 117.822 117.731 0.091 19654 9501 1 13 . 1 1 81 81 MET HA H 81 4.053 4.053 4.050 0.003 19654 9502 1 13 . 1 1 81 81 MET CA C 81 58.322 58.322 57.151 1.171 19654 9503 1 13 . 1 1 81 81 MET CB C 81 32.555 32.555 31.351 1.204 19654 9504 1 13 . 1 1 81 81 MET H H 81 8.104 8.104 8.338 -0.234 19654 9505 1 13 . 1 1 82 82 ILE N N 82 116.348 116.348 119.051 -2.703 19654 9506 1 13 . 1 1 82 82 ILE HA H 82 3.815 3.815 3.768 0.047 19654 9507 1 13 . 1 1 82 82 ILE CA C 82 63.653 63.653 64.725 -1.072 19654 9508 1 13 . 1 1 82 82 ILE CB C 82 37.879 37.879 37.585 0.294 19654 9509 1 13 . 1 1 82 82 ILE H H 82 7.789 7.789 7.911 -0.122 19654 9510 1 13 . 1 1 83 83 HIS N N 83 118.994 118.994 117.071 1.923 19654 9511 1 13 . 1 1 83 83 HIS HA H 83 4.409 4.409 4.419 -0.010 19654 9512 1 13 . 1 1 83 83 HIS CA C 83 58.245 58.245 59.223 -0.978 19654 9513 1 13 . 1 1 83 83 HIS CB C 83 29.735 29.735 30.069 -0.334 19654 9514 1 13 . 1 1 83 83 HIS H H 83 7.543 7.543 7.922 -0.379 19654 9515 1 13 . 1 1 84 84 VAL N N 84 117.112 117.112 120.137 -3.025 19654 9516 1 13 . 1 1 84 84 VAL HA H 84 3.631 3.631 3.752 -0.121 19654 9517 1 13 . 1 1 84 84 VAL CA C 84 64.628 64.628 65.784 -1.156 19654 9518 1 13 . 1 1 84 84 VAL CB C 84 31.904 31.904 30.961 0.943 19654 9519 1 13 . 1 1 84 84 VAL H H 84 7.713 7.713 7.954 -0.241 19654 9520 1 13 . 1 1 85 85 PHE N N 85 115.531 115.531 114.357 1.174 19654 9521 1 13 . 1 1 85 85 PHE HA H 85 4.733 4.733 4.668 0.065 19654 9522 1 13 . 1 1 85 85 PHE CA C 85 57.326 57.326 56.393 0.933 19654 9523 1 13 . 1 1 85 85 PHE CB C 85 39.507 39.507 37.299 2.208 19654 9524 1 13 . 1 1 85 85 PHE H H 85 7.743 7.743 7.395 0.348 19654 9525 1 13 . 1 1 86 86 SER N N 86 114.812 114.812 116.116 -1.304 19654 9526 1 13 . 1 1 86 86 SER HA H 86 4.275 4.275 4.293 -0.018 19654 9527 1 13 . 1 1 86 86 SER CA C 86 59.832 59.832 60.320 -0.488 19654 9528 1 13 . 1 1 86 86 SER CB C 86 63.482 63.482 63.682 -0.201 19654 9529 1 13 . 1 1 86 86 SER H H 86 7.634 7.634 7.592 0.042 19654 9530 1 13 . 1 1 87 87 ASP N N 87 120.986 120.986 123.582 -2.596 19654 9531 1 13 . 1 1 87 87 ASP HA H 87 4.491 4.491 4.615 -0.124 19654 9532 1 13 . 1 1 87 87 ASP CA C 87 54.032 54.032 55.094 -1.062 19654 9533 1 13 . 1 1 87 87 ASP CB C 87 40.411 40.411 40.368 0.043 19654 9534 1 13 . 1 1 87 87 ASP H H 87 8.043 8.043 7.870 0.173 19654 9535 1 13 . 1 1 88 88 GLY N N 88 108.171 108.171 112.858 -4.687 19654 9536 1 13 . 1 1 88 88 GLY CA C 88 44.981 44.981 45.166 -0.185 19654 9537 1 13 . 1 1 88 88 GLY H H 88 8.163 8.163 8.505 -0.342 19654 9538 1 13 . 1 1 89 89 VAL N N 89 121.716 121.716 122.344 -0.628 19654 9539 1 13 . 1 1 89 89 VAL HA H 89 3.879 3.879 4.239 -0.360 19654 9540 1 13 . 1 1 89 89 VAL CA C 89 62.471 62.471 60.786 1.685 19654 9541 1 13 . 1 1 89 89 VAL CB C 89 32.418 32.418 34.726 -2.308 19654 9542 1 13 . 1 1 89 89 VAL H H 89 7.886 7.886 7.683 0.203 19654 9543 1 13 . 1 1 90 90 THR N N 90 121.669 121.669 117.803 3.866 19654 9544 1 13 . 1 1 90 90 THR HA H 90 3.657 3.657 3.881 -0.224 19654 9545 1 13 . 1 1 90 90 THR CA C 90 62.473 62.473 62.159 0.314 19654 9546 1 13 . 1 1 90 90 THR CB C 90 68.528 68.528 68.682 -0.154 19654 9547 1 13 . 1 1 90 90 THR H H 90 8.201 8.201 8.196 0.005 19654 9548 1 13 . 1 1 91 91 ASN HA H 91 4.162 4.162 4.359 -0.197 19654 9549 1 13 . 1 1 91 91 ASN CA C 91 51.748 51.748 52.688 -0.940 19654 9550 1 13 . 1 1 91 91 ASN CB C 91 39.645 39.645 37.674 1.971 19654 9551 1 13 . 1 1 91 91 ASN H H 91 8.826 8.826 7.853 0.973 19654 9552 1 13 . 1 1 92 92 TRP N N 92 118.437 118.437 125.147 -6.710 19654 9553 1 13 . 1 1 92 92 TRP HA H 92 4.739 4.739 4.314 0.425 19654 9554 1 13 . 1 1 92 92 TRP CA C 92 60.233 60.233 59.655 0.578 19654 9555 1 13 . 1 1 92 92 TRP CB C 92 30.167 30.167 28.650 1.517 19654 9556 1 13 . 1 1 92 92 TRP H H 92 8.942 8.942 8.136 0.806 19654 9557 1 13 . 1 1 93 93 GLY N N 93 108.154 108.154 109.081 -0.927 19654 9558 1 13 . 1 1 93 93 GLY CA C 93 47.544 47.544 47.129 0.415 19654 9559 1 13 . 1 1 93 93 GLY H H 93 8.697 8.697 8.664 0.033 19654 9560 1 13 . 1 1 94 94 ARG N N 94 122.547 122.547 120.866 1.681 19654 9561 1 13 . 1 1 94 94 ARG HA H 94 4.072 4.072 4.359 -0.287 19654 9562 1 13 . 1 1 94 94 ARG CA C 94 58.556 58.556 57.593 0.963 19654 9563 1 13 . 1 1 94 94 ARG CB C 94 30.201 30.201 29.561 0.640 19654 9564 1 13 . 1 1 94 94 ARG H H 94 8.353 8.353 8.030 0.323 19654 9565 1 13 . 1 1 95 95 ILE N N 95 120.130 120.130 120.980 -0.850 19654 9566 1 13 . 1 1 95 95 ILE HA H 95 3.708 3.708 4.156 -0.448 19654 9567 1 13 . 1 1 95 95 ILE CA C 95 65.511 65.511 63.924 1.587 19654 9568 1 13 . 1 1 95 95 ILE CB C 95 37.486 37.486 36.997 0.489 19654 9569 1 13 . 1 1 95 95 ILE H H 95 7.545 7.545 7.863 -0.318 19654 9570 1 13 . 1 1 96 96 VAL N N 96 119.403 119.403 120.361 -0.958 19654 9571 1 13 . 1 1 96 96 VAL HA H 96 3.723 3.723 3.788 -0.065 19654 9572 1 13 . 1 1 96 96 VAL CA C 96 67.249 67.249 67.172 0.077 19654 9573 1 13 . 1 1 96 96 VAL CB C 96 31.001 31.001 30.697 0.304 19654 9574 1 13 . 1 1 96 96 VAL H H 96 8.990 8.990 8.258 0.732 19654 9575 1 13 . 1 1 97 97 THR N N 97 122.016 122.016 116.749 5.267 19654 9576 1 13 . 1 1 97 97 THR HA H 97 3.784 3.784 4.153 -0.369 19654 9577 1 13 . 1 1 97 97 THR CA C 97 68.159 68.159 67.385 0.774 19654 9578 1 13 . 1 1 97 97 THR CB C 97 67.212 67.212 68.592 -1.380 19654 9579 1 13 . 1 1 97 97 THR H H 97 8.605 8.605 8.146 0.459 19654 9580 1 13 . 1 1 98 98 LEU N N 98 122.476 122.476 123.525 -1.049 19654 9581 1 13 . 1 1 98 98 LEU HA H 98 3.805 3.805 4.066 -0.261 19654 9582 1 13 . 1 1 98 98 LEU CA C 98 58.818 58.818 58.412 0.406 19654 9583 1 13 . 1 1 98 98 LEU CB C 98 41.158 41.158 41.887 -0.729 19654 9584 1 13 . 1 1 98 98 LEU H H 98 7.769 7.769 7.815 -0.046 19654 9585 1 13 . 1 1 99 99 ILE N N 99 117.997 117.997 117.772 0.225 19654 9586 1 13 . 1 1 99 99 ILE HA H 99 3.509 3.509 3.732 -0.223 19654 9587 1 13 . 1 1 99 99 ILE CA C 99 66.261 66.261 65.401 0.860 19654 9588 1 13 . 1 1 99 99 ILE CB C 99 38.350 38.350 37.441 0.909 19654 9589 1 13 . 1 1 99 99 ILE H H 99 8.175 8.175 7.891 0.284 19654 9590 1 13 . 1 1 100 100 SER N N 100 116.934 116.934 116.920 0.014 19654 9591 1 13 . 1 1 100 100 SER HA H 100 4.447 4.447 4.339 0.108 19654 9592 1 13 . 1 1 100 100 SER CA C 100 63.290 63.290 62.407 0.883 19654 9593 1 13 . 1 1 100 100 SER CB C 100 62.867 62.867 63.308 -0.441 19654 9594 1 13 . 1 1 100 100 SER H H 100 8.989 8.989 8.800 0.189 19654 9595 1 13 . 1 1 101 101 PHE N N 101 124.640 124.640 121.762 2.878 19654 9596 1 13 . 1 1 101 101 PHE HA H 101 3.420 3.420 4.159 -0.739 19654 9597 1 13 . 1 1 101 101 PHE CA C 101 60.499 60.499 59.574 0.925 19654 9598 1 13 . 1 1 101 101 PHE CB C 101 37.333 37.333 38.573 -1.240 19654 9599 1 13 . 1 1 101 101 PHE H H 101 8.513 8.513 8.581 -0.068 19654 9600 1 13 . 1 1 102 102 GLY N N 102 106.116 106.116 107.363 -1.247 19654 9601 1 13 . 1 1 102 102 GLY CA C 102 48.166 48.166 47.013 1.153 19654 9602 1 13 . 1 1 102 102 GLY H H 102 8.111 8.111 8.180 -0.068 19654 9603 1 13 . 1 1 103 103 ALA N N 103 124.560 124.560 124.615 -0.055 19654 9604 1 13 . 1 1 103 103 ALA HA H 103 3.780 3.780 3.943 -0.163 19654 9605 1 13 . 1 1 103 103 ALA CA C 103 55.646 55.646 54.771 0.875 19654 9606 1 13 . 1 1 103 103 ALA CB C 103 18.476 18.476 18.606 -0.130 19654 9607 1 13 . 1 1 103 103 ALA H H 103 8.437 8.437 8.245 0.192 19654 9608 1 13 . 1 1 104 104 PHE N N 104 120.981 120.981 120.374 0.607 19654 9609 1 13 . 1 1 104 104 PHE HA H 104 3.989 3.989 4.277 -0.288 19654 9610 1 13 . 1 1 104 104 PHE CA C 104 62.258 62.258 61.070 1.188 19654 9611 1 13 . 1 1 104 104 PHE CB C 104 39.949 39.949 39.337 0.612 19654 9612 1 13 . 1 1 104 104 PHE H H 104 8.213 8.213 8.289 -0.076 19654 9613 1 13 . 1 1 105 105 VAL N N 105 120.473 120.473 119.101 1.372 19654 9614 1 13 . 1 1 105 105 VAL HA H 105 3.236 3.236 3.282 -0.046 19654 9615 1 13 . 1 1 105 105 VAL CA C 105 66.348 66.348 66.544 -0.196 19654 9616 1 13 . 1 1 105 105 VAL CB C 105 30.720 30.720 30.899 -0.179 19654 9617 1 13 . 1 1 105 105 VAL H H 105 8.513 8.513 8.137 0.376 19654 9618 1 13 . 1 1 106 106 ALA N N 106 123.948 123.948 122.919 1.029 19654 9619 1 13 . 1 1 106 106 ALA HA H 106 3.660 3.660 3.785 -0.125 19654 9620 1 13 . 1 1 106 106 ALA CA C 106 55.607 55.607 55.458 0.149 19654 9621 1 13 . 1 1 106 106 ALA CB C 106 18.003 18.003 17.988 0.015 19654 9622 1 13 . 1 1 106 106 ALA H H 106 8.807 8.807 8.079 0.728 19654 9623 1 13 . 1 1 107 107 LYS N N 107 115.836 115.836 118.560 -2.724 19654 9624 1 13 . 1 1 107 107 LYS HA H 107 3.733 3.733 3.819 -0.086 19654 9625 1 13 . 1 1 107 107 LYS CA C 107 60.462 60.462 59.958 0.504 19654 9626 1 13 . 1 1 107 107 LYS CB C 107 31.907 31.907 32.065 -0.158 19654 9627 1 13 . 1 1 107 107 LYS H H 107 7.934 7.934 7.746 0.188 19654 9628 1 13 . 1 1 108 108 HIS N N 108 120.459 120.459 119.313 1.146 19654 9629 1 13 . 1 1 108 108 HIS HA H 108 4.212 4.212 4.212 0.000 19654 9630 1 13 . 1 1 108 108 HIS CA C 108 59.623 59.623 59.600 0.023 19654 9631 1 13 . 1 1 108 108 HIS CB C 108 29.838 29.838 29.717 0.121 19654 9632 1 13 . 1 1 108 108 HIS H H 108 7.254 7.254 7.308 -0.054 19654 9633 1 13 . 1 1 109 109 LEU N N 109 118.336 118.336 120.297 -1.961 19654 9634 1 13 . 1 1 109 109 LEU HA H 109 3.640 3.640 3.854 -0.214 19654 9635 1 13 . 1 1 109 109 LEU CA C 109 56.945 56.945 57.995 -1.050 19654 9636 1 13 . 1 1 109 109 LEU CB C 109 39.709 39.709 41.647 -1.938 19654 9637 1 13 . 1 1 109 109 LEU H H 109 8.709 8.709 8.614 0.095 19654 9638 1 13 . 1 1 110 110 LYS N N 110 118.036 118.036 118.317 -0.281 19654 9639 1 13 . 1 1 110 110 LYS HA H 110 3.944 3.944 3.964 -0.020 19654 9640 1 13 . 1 1 110 110 LYS CA C 110 58.967 58.967 59.219 -0.252 19654 9641 1 13 . 1 1 110 110 LYS CB C 110 32.220 32.220 32.058 0.162 19654 9642 1 13 . 1 1 110 110 LYS H H 110 7.752 7.752 8.273 -0.521 19654 9643 1 13 . 1 1 111 111 THR N N 111 115.985 115.985 114.516 1.469 19654 9644 1 13 . 1 1 111 111 THR HA H 111 3.990 3.990 4.092 -0.102 19654 9645 1 13 . 1 1 111 111 THR CA C 111 65.921 65.921 65.433 0.488 19654 9646 1 13 . 1 1 111 111 THR CB C 111 68.611 68.611 69.196 -0.585 19654 9647 1 13 . 1 1 111 111 THR H H 111 7.832 7.832 7.408 0.424 19654 9648 1 13 . 1 1 112 112 ILE N N 112 112.606 112.606 115.547 -2.941 19654 9649 1 13 . 1 1 112 112 ILE HA H 112 4.454 4.454 4.217 0.237 19654 9650 1 13 . 1 1 112 112 ILE CA C 112 60.922 60.922 61.117 -0.195 19654 9651 1 13 . 1 1 112 112 ILE CB C 112 36.813 36.813 36.957 -0.144 19654 9652 1 13 . 1 1 112 112 ILE H H 112 7.262 7.262 7.652 -0.390 19654 9653 1 13 . 1 1 113 113 ASN N N 113 116.297 116.297 115.017 1.280 19654 9654 1 13 . 1 1 113 113 ASN HA H 113 4.576 4.576 4.414 0.162 19654 9655 1 13 . 1 1 113 113 ASN CA C 113 54.653 54.653 54.983 -0.329 19654 9656 1 13 . 1 1 113 113 ASN CB C 113 36.497 36.497 37.506 -1.009 19654 9657 1 13 . 1 1 113 113 ASN H H 113 7.816 7.816 7.895 -0.079 19654 9658 1 13 . 1 1 114 114 GLN N N 114 117.958 117.958 117.121 0.837 19654 9659 1 13 . 1 1 114 114 GLN HA H 114 4.739 4.739 4.522 0.217 19654 9660 1 13 . 1 1 114 114 GLN CA C 114 54.079 54.079 54.528 -0.449 19654 9661 1 13 . 1 1 114 114 GLN CB C 114 28.840 28.840 28.120 0.720 19654 9662 1 13 . 1 1 114 114 GLN H H 114 8.522 8.522 8.193 0.329 19654 9663 1 13 . 1 1 115 115 GLU N N 115 120.597 120.597 122.134 -1.537 19654 9664 1 13 . 1 1 115 115 GLU HA H 115 3.646 3.646 3.940 -0.294 19654 9665 1 13 . 1 1 115 115 GLU CA C 115 59.569 59.569 60.042 -0.473 19654 9666 1 13 . 1 1 115 115 GLU CB C 115 29.061 29.061 29.145 -0.084 19654 9667 1 13 . 1 1 115 115 GLU H H 115 8.881 8.881 8.572 0.309 19654 9668 1 13 . 1 1 116 116 SER N N 116 115.352 115.352 114.827 0.525 19654 9669 1 13 . 1 1 116 116 SER HA H 116 4.250 4.250 4.140 0.110 19654 9670 1 13 . 1 1 116 116 SER CA C 116 60.593 60.593 61.014 -0.421 19654 9671 1 13 . 1 1 116 116 SER CB C 116 62.231 62.231 62.948 -0.717 19654 9672 1 13 . 1 1 116 116 SER H H 116 8.702 8.702 8.607 0.095 19654 9673 1 13 . 1 1 117 117 SER N N 117 116.944 116.944 118.534 -1.590 19654 9674 1 13 . 1 1 117 117 SER HA H 117 4.461 4.461 4.162 0.299 19654 9675 1 13 . 1 1 117 117 SER CA C 117 60.219 60.219 61.329 -1.110 19654 9676 1 13 . 1 1 117 117 SER CB C 117 64.116 64.116 63.026 1.091 19654 9677 1 13 . 1 1 117 117 SER H H 117 7.963 7.963 7.832 0.131 19654 9678 1 13 . 1 1 118 118 ILE N N 118 122.505 122.505 121.804 0.701 19654 9679 1 13 . 1 1 118 118 ILE HA H 118 3.419 3.419 3.537 -0.118 19654 9680 1 13 . 1 1 118 118 ILE CA C 118 66.227 66.227 65.480 0.747 19654 9681 1 13 . 1 1 118 118 ILE CB C 118 36.723 36.723 37.658 -0.935 19654 9682 1 13 . 1 1 118 118 ILE H H 118 7.945 7.945 7.696 0.249 19654 9683 1 13 . 1 1 119 119 GLU N N 119 119.604 119.604 119.408 0.196 19654 9684 1 13 . 1 1 119 119 GLU HA H 119 4.244 4.244 4.172 0.072 19654 9685 1 13 . 1 1 119 119 GLU CA C 119 61.540 61.540 60.815 0.725 19654 9686 1 13 . 1 1 119 119 GLU CB C 119 26.092 26.092 27.856 -1.764 19654 9687 1 13 . 1 1 119 119 GLU H H 119 8.244 8.244 7.744 0.500 19654 9688 1 13 . 1 1 120 120 PRO HA H 120 4.446 4.446 4.533 -0.087 19654 9689 1 13 . 1 1 120 120 PRO CA C 120 65.583 65.583 65.115 0.468 19654 9690 1 13 . 1 1 120 120 PRO CB C 120 30.167 30.167 31.563 -1.396 19654 9691 1 13 . 1 1 121 121 LEU N N 121 120.974 120.974 120.229 0.745 19654 9692 1 13 . 1 1 121 121 LEU HA H 121 3.990 3.990 4.045 -0.055 19654 9693 1 13 . 1 1 121 121 LEU CA C 121 58.436 58.436 57.705 0.731 19654 9694 1 13 . 1 1 121 121 LEU CB C 121 40.988 40.988 41.655 -0.667 19654 9695 1 13 . 1 1 121 121 LEU H H 121 7.587 7.587 7.977 -0.390 19654 9696 1 13 . 1 1 122 122 ALA N N 122 121.982 121.982 120.844 1.138 19654 9697 1 13 . 1 1 122 122 ALA HA H 122 3.743 3.743 3.922 -0.179 19654 9698 1 13 . 1 1 122 122 ALA CA C 122 55.233 55.233 55.205 0.028 19654 9699 1 13 . 1 1 122 122 ALA CB C 122 17.687 17.687 17.878 -0.191 19654 9700 1 13 . 1 1 122 122 ALA H H 122 8.593 8.593 7.990 0.603 19654 9701 1 13 . 1 1 123 123 GLU N N 123 120.516 120.516 119.018 1.498 19654 9702 1 13 . 1 1 123 123 GLU HA H 123 3.862 3.862 3.940 -0.078 19654 9703 1 13 . 1 1 123 123 GLU CA C 123 59.995 59.995 59.519 0.476 19654 9704 1 13 . 1 1 123 123 GLU CB C 123 29.298 29.298 29.483 -0.185 19654 9705 1 13 . 1 1 123 123 GLU H H 123 8.568 8.568 7.739 0.829 19654 9706 1 13 . 1 1 124 124 SER N N 124 116.054 116.054 116.436 -0.382 19654 9707 1 13 . 1 1 124 124 SER HA H 124 4.367 4.367 4.194 0.173 19654 9708 1 13 . 1 1 124 124 SER CA C 124 62.240 62.240 62.337 -0.097 19654 9709 1 13 . 1 1 124 124 SER CB C 124 63.074 63.074 63.147 -0.072 19654 9710 1 13 . 1 1 124 124 SER H H 124 8.282 8.282 7.994 0.288 19654 9711 1 13 . 1 1 125 125 ILE N N 125 120.575 120.575 122.034 -1.459 19654 9712 1 13 . 1 1 125 125 ILE HA H 125 3.627 3.627 3.849 -0.222 19654 9713 1 13 . 1 1 125 125 ILE CA C 125 64.655 64.655 64.484 0.171 19654 9714 1 13 . 1 1 125 125 ILE CB C 125 37.413 37.413 36.938 0.475 19654 9715 1 13 . 1 1 125 125 ILE H H 125 8.343 8.343 8.458 -0.115 19654 9716 1 13 . 1 1 126 126 THR N N 126 116.459 116.459 116.085 0.374 19654 9717 1 13 . 1 1 126 126 THR HA H 126 3.482 3.482 4.023 -0.541 19654 9718 1 13 . 1 1 126 126 THR CA C 126 68.679 68.679 67.180 1.499 19654 9719 1 13 . 1 1 126 126 THR CB C 126 67.075 67.075 68.035 -0.960 19654 9720 1 13 . 1 1 126 126 THR H H 126 8.056 8.056 8.158 -0.102 19654 9721 1 13 . 1 1 127 127 ASP N N 127 120.236 120.236 122.205 -1.969 19654 9722 1 13 . 1 1 127 127 ASP HA H 127 4.481 4.481 4.660 -0.179 19654 9723 1 13 . 1 1 127 127 ASP CA C 127 58.322 58.322 57.769 0.553 19654 9724 1 13 . 1 1 127 127 ASP CB C 127 41.822 41.822 40.995 0.827 19654 9725 1 13 . 1 1 127 127 ASP H H 127 8.813 8.813 8.499 0.314 19654 9726 1 13 . 1 1 128 128 VAL N N 128 116.904 116.904 119.855 -2.951 19654 9727 1 13 . 1 1 128 128 VAL HA H 128 3.677 3.677 3.857 -0.180 19654 9728 1 13 . 1 1 128 128 VAL CA C 128 66.346 66.346 66.110 0.236 19654 9729 1 13 . 1 1 128 128 VAL CB C 128 31.351 31.351 31.496 -0.145 19654 9730 1 13 . 1 1 128 128 VAL H H 128 7.949 7.949 7.908 0.041 19654 9731 1 13 . 1 1 129 129 LEU N N 129 121.043 121.043 121.511 -0.468 19654 9732 1 13 . 1 1 129 129 LEU HA H 129 3.819 3.819 4.039 -0.220 19654 9733 1 13 . 1 1 129 129 LEU CA C 129 58.742 58.742 58.360 0.382 19654 9734 1 13 . 1 1 129 129 LEU CB C 129 42.370 42.370 41.920 0.450 19654 9735 1 13 . 1 1 129 129 LEU H H 129 8.198 8.198 8.056 0.142 19654 9736 1 13 . 1 1 130 130 VAL N N 130 114.370 114.370 117.500 -3.130 19654 9737 1 13 . 1 1 130 130 VAL HA H 130 3.525 3.525 3.758 -0.233 19654 9738 1 13 . 1 1 130 130 VAL CA C 130 66.004 66.004 65.642 0.362 19654 9739 1 13 . 1 1 130 130 VAL CB C 130 31.320 31.320 31.067 0.253 19654 9740 1 13 . 1 1 130 130 VAL H H 130 8.858 8.858 8.600 0.258 19654 9741 1 13 . 1 1 131 131 ARG N N 131 115.890 115.890 119.525 -3.635 19654 9742 1 13 . 1 1 131 131 ARG HA H 131 4.284 4.284 4.147 0.137 19654 9743 1 13 . 1 1 131 131 ARG CA C 131 59.255 59.255 58.838 0.417 19654 9744 1 13 . 1 1 131 131 ARG CB C 131 30.009 30.009 30.177 -0.168 19654 9745 1 13 . 1 1 131 131 ARG H H 131 8.619 8.619 8.336 0.283 19654 9746 1 13 . 1 1 132 132 THR N N 132 106.654 106.654 109.417 -2.763 19654 9747 1 13 . 1 1 132 132 THR HA H 132 4.464 4.464 4.403 0.061 19654 9748 1 13 . 1 1 132 132 THR CA C 132 64.081 64.081 63.221 0.860 19654 9749 1 13 . 1 1 132 132 THR CB C 132 69.870 69.870 69.950 -0.080 19654 9750 1 13 . 1 1 132 132 THR H H 132 7.530 7.530 7.700 -0.170 19654 9751 1 13 . 1 1 133 133 LYS N N 133 117.426 117.426 120.561 -3.135 19654 9752 1 13 . 1 1 133 133 LYS HA H 133 5.029 5.029 4.864 0.165 19654 9753 1 13 . 1 1 133 133 LYS CA C 133 53.009 53.009 54.574 -1.565 19654 9754 1 13 . 1 1 133 133 LYS CB C 133 31.044 31.044 32.211 -1.167 19654 9755 1 13 . 1 1 133 133 LYS H H 133 7.691 7.691 7.983 -0.292 19654 9756 1 13 . 1 1 134 134 ARG N N 134 120.904 120.904 121.644 -0.740 19654 9757 1 13 . 1 1 134 134 ARG HA H 134 3.679 3.679 3.837 -0.158 19654 9758 1 13 . 1 1 134 134 ARG CA C 134 61.456 61.456 61.145 0.311 19654 9759 1 13 . 1 1 134 134 ARG CB C 134 30.261 30.261 30.266 -0.005 19654 9760 1 13 . 1 1 134 134 ARG H H 134 7.341 7.341 7.569 -0.228 19654 9761 1 13 . 1 1 135 135 ASP N N 135 114.262 114.262 117.845 -3.583 19654 9762 1 13 . 1 1 135 135 ASP HA H 135 4.238 4.238 4.314 -0.076 19654 9763 1 13 . 1 1 135 135 ASP CA C 135 57.595 57.595 57.500 0.095 19654 9764 1 13 . 1 1 135 135 ASP CB C 135 39.961 39.961 39.663 0.298 19654 9765 1 13 . 1 1 135 135 ASP H H 135 8.386 8.386 8.732 -0.346 19654 9766 1 13 . 1 1 136 136 TRP N N 136 121.564 121.564 119.756 1.808 19654 9767 1 13 . 1 1 136 136 TRP HA H 136 3.858 3.858 4.404 -0.546 19654 9768 1 13 . 1 1 136 136 TRP CA C 136 62.373 62.373 59.187 3.186 19654 9769 1 13 . 1 1 136 136 TRP CB C 136 28.807 28.807 29.383 -0.576 19654 9770 1 13 . 1 1 136 136 TRP H H 136 7.844 7.844 7.524 0.320 19654 9771 1 13 . 1 1 137 137 LEU N N 137 117.395 117.395 119.697 -2.302 19654 9772 1 13 . 1 1 137 137 LEU HA H 137 3.461 3.461 3.848 -0.387 19654 9773 1 13 . 1 1 137 137 LEU CA C 137 58.325 58.325 58.139 0.186 19654 9774 1 13 . 1 1 137 137 LEU CB C 137 42.979 42.979 41.467 1.512 19654 9775 1 13 . 1 1 137 137 LEU H H 137 8.623 8.623 8.148 0.475 19654 9776 1 13 . 1 1 138 138 VAL N N 138 118.341 118.341 118.101 0.240 19654 9777 1 13 . 1 1 138 138 VAL HA H 138 3.586 3.586 3.821 -0.235 19654 9778 1 13 . 1 1 138 138 VAL CA C 138 66.501 66.501 65.232 1.269 19654 9779 1 13 . 1 1 138 138 VAL CB C 138 31.588 31.588 32.016 -0.428 19654 9780 1 13 . 1 1 138 138 VAL H H 138 8.631 8.631 7.516 1.115 19654 9781 1 13 . 1 1 139 139 LYS N N 139 122.096 122.096 118.985 3.111 19654 9782 1 13 . 1 1 139 139 LYS HA H 139 3.941 3.941 4.133 -0.192 19654 9783 1 13 . 1 1 139 139 LYS CA C 139 58.925 58.925 58.654 0.272 19654 9784 1 13 . 1 1 139 139 LYS CB C 139 31.752 31.752 32.416 -0.664 19654 9785 1 13 . 1 1 139 139 LYS H H 139 7.695 7.695 8.325 -0.630 19654 9786 1 13 . 1 1 140 140 GLN N N 140 115.416 115.416 116.334 -0.918 19654 9787 1 13 . 1 1 140 140 GLN HA H 140 3.970 3.970 4.522 -0.552 19654 9788 1 13 . 1 1 140 140 GLN CA C 140 54.309 54.309 54.734 -0.425 19654 9789 1 13 . 1 1 140 140 GLN CB C 140 27.174 27.174 29.870 -2.696 19654 9790 1 13 . 1 1 140 140 GLN H H 140 7.344 7.344 8.129 -0.785 19654 9791 1 13 . 1 1 141 141 ARG N N 141 110.160 110.160 116.039 -5.879 19654 9792 1 13 . 1 1 141 141 ARG HA H 141 3.899 3.899 4.017 -0.118 19654 9793 1 13 . 1 1 141 141 ARG CA C 141 57.400 57.400 56.335 1.065 19654 9794 1 13 . 1 1 141 141 ARG CB C 141 25.640 25.640 27.389 -1.749 19654 9795 1 13 . 1 1 141 141 ARG H H 141 7.677 7.677 7.865 -0.189 19654 9796 1 13 . 1 1 142 142 GLY N N 142 107.741 107.741 107.871 -0.130 19654 9797 1 13 . 1 1 142 142 GLY CA C 142 45.633 45.633 46.827 -1.194 19654 9798 1 13 . 1 1 142 142 GLY H H 142 8.931 8.931 8.692 0.239 19654 9799 1 13 . 1 1 143 143 TRP N N 143 123.871 123.871 120.455 3.416 19654 9800 1 13 . 1 1 143 143 TRP HA H 143 4.273 4.273 4.382 -0.109 19654 9801 1 13 . 1 1 143 143 TRP CA C 143 59.317 59.317 57.946 1.371 19654 9802 1 13 . 1 1 143 143 TRP CB C 143 28.435 28.435 29.355 -0.920 19654 9803 1 13 . 1 1 143 143 TRP H H 143 9.004 9.004 7.963 1.041 19654 9804 1 13 . 1 1 144 144 ASP N N 144 119.481 119.481 119.881 -0.400 19654 9805 1 13 . 1 1 144 144 ASP HA H 144 4.553 4.553 4.576 -0.023 19654 9806 1 13 . 1 1 144 144 ASP CA C 144 57.825 57.825 57.547 0.278 19654 9807 1 13 . 1 1 144 144 ASP CB C 144 40.435 40.435 40.799 -0.364 19654 9808 1 13 . 1 1 144 144 ASP H H 144 8.071 8.071 7.784 0.287 19654 9809 1 13 . 1 1 145 145 GLY N N 145 109.653 109.653 108.200 1.453 19654 9810 1 13 . 1 1 145 145 GLY CA C 145 46.856 46.856 46.866 -0.010 19654 9811 1 13 . 1 1 145 145 GLY H H 145 7.493 7.493 8.453 -0.960 19654 9812 1 13 . 1 1 146 146 PHE N N 146 124.053 124.053 121.972 2.081 19654 9813 1 13 . 1 1 146 146 PHE HA H 146 2.455 2.455 3.846 -1.391 19654 9814 1 13 . 1 1 146 146 PHE CA C 146 60.349 60.349 60.697 -0.348 19654 9815 1 13 . 1 1 146 146 PHE CB C 146 38.607 38.607 39.215 -0.608 19654 9816 1 13 . 1 1 146 146 PHE H H 146 7.257 7.257 7.984 -0.727 19654 9817 1 13 . 1 1 147 147 VAL N N 147 116.525 116.525 117.921 -1.396 19654 9818 1 13 . 1 1 147 147 VAL HA H 147 3.298 3.298 3.631 -0.333 19654 9819 1 13 . 1 1 147 147 VAL CA C 147 66.080 66.080 65.821 0.259 19654 9820 1 13 . 1 1 147 147 VAL CB C 147 31.904 31.904 31.387 0.517 19654 9821 1 13 . 1 1 147 147 VAL H H 147 7.700 7.700 7.679 0.021 19654 9822 1 13 . 1 1 148 148 GLU N N 148 118.404 118.404 119.805 -1.401 19654 9823 1 13 . 1 1 148 148 GLU HA H 148 3.985 3.985 4.300 -0.315 19654 9824 1 13 . 1 1 148 148 GLU CA C 148 58.933 58.933 58.289 0.644 19654 9825 1 13 . 1 1 148 148 GLU CB C 148 29.535 29.535 28.987 0.548 19654 9826 1 13 . 1 1 148 148 GLU H H 148 7.801 7.801 7.605 0.196 19654 9827 1 13 . 1 1 149 149 PHE N N 149 120.305 120.305 120.479 -0.174 19654 9828 1 13 . 1 1 149 149 PHE HA H 149 3.970 3.970 3.823 0.147 19654 9829 1 13 . 1 1 149 149 PHE CA C 149 61.341 61.341 61.027 0.314 19654 9830 1 13 . 1 1 149 149 PHE CB C 149 39.011 39.011 39.158 -0.147 19654 9831 1 13 . 1 1 149 149 PHE H H 149 8.358 8.358 8.108 0.250 19654 9832 1 13 . 1 1 150 150 PHE N N 150 112.582 112.582 112.564 0.018 19654 9833 1 13 . 1 1 150 150 PHE HA H 150 4.255 4.255 4.161 0.094 19654 9834 1 13 . 1 1 150 150 PHE CA C 150 59.075 59.075 58.839 0.236 19654 9835 1 13 . 1 1 150 150 PHE CB C 150 39.487 39.487 39.384 0.103 19654 9836 1 13 . 1 1 150 150 PHE H H 150 6.927 6.927 7.302 -0.375 19654 9837 1 13 . 1 1 151 151 HIS N N 151 118.966 118.966 113.691 5.275 19654 9838 1 13 . 1 1 151 151 HIS HA H 151 4.370 4.370 4.499 -0.129 19654 9839 1 13 . 1 1 151 151 HIS CA C 151 56.788 56.788 56.542 0.246 19654 9840 1 13 . 1 1 151 151 HIS CB C 151 28.827 28.827 26.635 2.192 19654 9841 1 13 . 1 1 151 151 HIS H H 151 7.483 7.483 7.311 0.172 19654 9842 1 13 . 1 1 152 152 VAL N N 152 120.499 120.499 116.534 3.965 19654 9843 1 13 . 1 1 152 152 VAL HA H 152 3.950 3.950 3.811 0.139 19654 9844 1 13 . 1 1 152 152 VAL CA C 152 62.110 62.110 65.921 -3.811 19654 9845 1 13 . 1 1 152 152 VAL CB C 152 32.593 32.593 31.972 0.621 19654 9846 1 13 . 1 1 152 152 VAL H H 152 8.103 8.103 8.043 0.060 19654 9847 1 13 . 1 1 153 153 GLU N N 153 123.580 123.580 116.704 6.876 19654 9848 1 13 . 1 1 153 153 GLU HA H 153 4.162 4.162 4.434 -0.272 19654 9849 1 13 . 1 1 153 153 GLU CA C 153 56.433 56.433 55.868 0.564 19654 9850 1 13 . 1 1 153 153 GLU CB C 153 30.101 30.101 30.676 -0.575 19654 9851 1 13 . 1 1 153 153 GLU H H 153 8.446 8.446 8.358 0.088 19654 9852 1 13 . 1 1 154 154 ASP N N 154 120.964 120.964 120.579 0.385 19654 9853 1 13 . 1 1 154 154 ASP HA H 154 4.565 4.565 4.861 -0.296 19654 9854 1 13 . 1 1 154 154 ASP CA C 154 54.106 54.106 53.611 0.495 19654 9855 1 13 . 1 1 154 154 ASP CB C 154 40.836 40.836 41.801 -0.965 19654 9856 1 13 . 1 1 154 154 ASP H H 154 8.325 8.325 7.856 0.469 19654 9857 1 13 . 1 1 155 155 LEU N N 155 122.311 122.311 120.798 1.513 19654 9858 1 13 . 1 1 155 155 LEU HA H 155 4.230 4.230 4.281 -0.051 19654 9859 1 13 . 1 1 155 155 LEU CA C 155 55.340 55.340 56.548 -1.208 19654 9860 1 13 . 1 1 155 155 LEU CB C 155 42.094 42.094 41.196 0.898 19654 9861 1 13 . 1 1 155 155 LEU H H 155 8.210 8.210 8.504 -0.294 19654 9862 1 13 . 1 1 156 156 GLU N N 156 120.023 120.023 122.496 -2.473 19654 9863 1 13 . 1 1 156 156 GLU HA H 156 4.218 4.218 4.357 -0.139 19654 9864 1 13 . 1 1 156 156 GLU CA C 156 56.831 56.831 56.203 0.628 19654 9865 1 13 . 1 1 156 156 GLU CB C 156 29.930 29.930 27.608 2.322 19654 9866 1 13 . 1 1 156 156 GLU H H 156 8.396 8.396 8.511 -0.115 19654 9867 1 13 . 1 1 157 157 GLY N N 157 109.371 109.371 107.169 2.202 19654 9868 1 13 . 1 1 157 157 GLY CA C 157 45.327 45.327 44.174 1.153 19654 9869 1 13 . 1 1 157 157 GLY H H 157 8.323 8.323 7.546 0.777 19654 9870 1 13 . 1 1 158 158 GLY N N 158 108.074 108.074 107.595 0.479 19654 9871 1 13 . 1 1 158 158 GLY CA C 158 45.061 45.061 43.884 1.177 19654 9872 1 13 . 1 1 158 158 GLY H H 158 8.226 8.226 8.013 0.213 19654 9873 1 13 . 1 1 159 159 HIS N N 159 117.875 117.875 119.880 -2.005 19654 9874 1 13 . 1 1 159 159 HIS HA H 159 4.551 4.551 4.749 -0.198 19654 9875 1 13 . 1 1 159 159 HIS CA C 159 55.600 55.600 56.048 -0.448 19654 9876 1 13 . 1 1 159 159 HIS CB C 159 29.800 29.800 29.770 0.030 19654 9877 1 13 . 1 1 159 159 HIS H H 159 8.210 8.210 8.425 -0.215 19654 9878 1 13 . 1 1 161 161 HIS N N 161 125.094 125.094 116.675 8.419 19654 9879 1 13 . 1 1 161 161 HIS HA H 161 4.585 4.585 4.762 -0.177 19654 9880 1 13 . 1 1 161 161 HIS H H 161 8.162 8.162 8.330 -0.168 19654 9881 1 14 . 1 1 2 2 GLU HA H 2 4.333 4.333 4.238 0.095 19654 9882 1 14 . 1 1 2 2 GLU CA C 2 56.183 56.183 55.872 0.311 19654 9883 1 14 . 1 1 2 2 GLU CB C 2 30.150 30.150 30.005 0.145 19654 9884 1 14 . 1 1 3 3 ASP N N 3 122.553 122.553 120.973 1.580 19654 9885 1 14 . 1 1 3 3 ASP HA H 3 4.729 4.729 4.472 0.257 19654 9886 1 14 . 1 1 3 3 ASP CA C 3 53.659 53.659 54.890 -1.231 19654 9887 1 14 . 1 1 3 3 ASP CB C 3 41.319 41.319 42.527 -1.208 19654 9888 1 14 . 1 1 3 3 ASP H H 3 8.437 8.437 8.348 0.089 19654 9889 1 14 . 1 1 4 4 GLU N N 4 125.121 125.121 125.348 -0.227 19654 9890 1 14 . 1 1 4 4 GLU HA H 4 4.235 4.235 4.039 0.196 19654 9891 1 14 . 1 1 4 4 GLU CA C 4 58.915 58.915 59.541 -0.626 19654 9892 1 14 . 1 1 4 4 GLU CB C 4 29.274 29.274 29.775 -0.501 19654 9893 1 14 . 1 1 4 4 GLU H H 4 8.726 8.726 8.832 -0.106 19654 9894 1 14 . 1 1 5 5 LEU N N 5 120.976 120.976 119.600 1.376 19654 9895 1 14 . 1 1 5 5 LEU HA H 5 4.517 4.517 4.212 0.305 19654 9896 1 14 . 1 1 5 5 LEU CA C 5 57.939 57.939 57.017 0.922 19654 9897 1 14 . 1 1 5 5 LEU CB C 5 40.917 40.917 41.916 -0.999 19654 9898 1 14 . 1 1 5 5 LEU H H 5 8.381 8.381 8.295 0.086 19654 9899 1 14 . 1 1 6 6 TYR N N 6 123.977 123.977 120.501 3.476 19654 9900 1 14 . 1 1 6 6 TYR HA H 6 3.865 3.865 4.152 -0.287 19654 9901 1 14 . 1 1 6 6 TYR CA C 6 62.721 62.721 61.875 0.846 19654 9902 1 14 . 1 1 6 6 TYR CB C 6 38.475 38.475 38.283 0.192 19654 9903 1 14 . 1 1 6 6 TYR H H 6 8.342 8.342 7.731 0.611 19654 9904 1 14 . 1 1 7 7 ARG N N 7 118.301 118.301 118.159 0.142 19654 9905 1 14 . 1 1 7 7 ARG HA H 7 3.828 3.828 4.018 -0.190 19654 9906 1 14 . 1 1 7 7 ARG CA C 7 59.619 59.619 58.761 0.858 19654 9907 1 14 . 1 1 7 7 ARG CB C 7 29.720 29.720 29.127 0.593 19654 9908 1 14 . 1 1 7 7 ARG H H 7 8.452 8.452 8.773 -0.321 19654 9909 1 14 . 1 1 8 8 GLN N N 8 119.421 119.421 120.206 -0.785 19654 9910 1 14 . 1 1 8 8 GLN HA H 8 3.944 3.944 4.353 -0.409 19654 9911 1 14 . 1 1 8 8 GLN CA C 8 58.827 58.827 59.054 -0.227 19654 9912 1 14 . 1 1 8 8 GLN CB C 8 28.918 28.918 28.499 0.419 19654 9913 1 14 . 1 1 8 8 GLN H H 8 8.894 8.894 8.042 0.852 19654 9914 1 14 . 1 1 9 9 SER N N 9 113.384 113.384 116.335 -2.951 19654 9915 1 14 . 1 1 9 9 SER HA H 9 4.007 4.007 3.940 0.067 19654 9916 1 14 . 1 1 9 9 SER CA C 9 62.117 62.117 62.130 -0.013 19654 9917 1 14 . 1 1 9 9 SER CB C 9 63.544 63.544 63.149 0.395 19654 9918 1 14 . 1 1 9 9 SER H H 9 8.018 8.018 8.331 -0.313 19654 9919 1 14 . 1 1 10 10 LEU N N 10 121.112 121.112 123.838 -2.726 19654 9920 1 14 . 1 1 10 10 LEU HA H 10 4.130 4.130 4.272 -0.142 19654 9921 1 14 . 1 1 10 10 LEU CA C 10 57.022 57.022 57.261 -0.239 19654 9922 1 14 . 1 1 10 10 LEU CB C 10 41.146 41.146 41.858 -0.712 19654 9923 1 14 . 1 1 10 10 LEU H H 10 8.599 8.599 8.148 0.451 19654 9924 1 14 . 1 1 11 11 GLU N N 11 120.653 120.653 120.030 0.623 19654 9925 1 14 . 1 1 11 11 GLU HA H 11 3.914 3.914 3.962 -0.048 19654 9926 1 14 . 1 1 11 11 GLU CA C 11 59.627 59.627 59.385 0.242 19654 9927 1 14 . 1 1 11 11 GLU CB C 11 29.298 29.298 29.022 0.276 19654 9928 1 14 . 1 1 11 11 GLU H H 11 7.806 7.806 8.430 -0.624 19654 9929 1 14 . 1 1 12 12 ILE N N 12 117.297 117.297 120.334 -3.037 19654 9930 1 14 . 1 1 12 12 ILE HA H 12 3.121 3.121 3.594 -0.473 19654 9931 1 14 . 1 1 12 12 ILE CA C 12 65.774 65.774 65.103 0.671 19654 9932 1 14 . 1 1 12 12 ILE CB C 12 39.143 39.143 37.643 1.500 19654 9933 1 14 . 1 1 12 12 ILE H H 12 7.401 7.401 7.317 0.084 19654 9934 1 14 . 1 1 13 13 ILE N N 13 117.560 117.560 119.218 -1.658 19654 9935 1 14 . 1 1 13 13 ILE HA H 13 3.302 3.302 3.528 -0.226 19654 9936 1 14 . 1 1 13 13 ILE CA C 13 66.420 66.420 65.566 0.854 19654 9937 1 14 . 1 1 13 13 ILE CB C 13 37.714 37.714 37.655 0.059 19654 9938 1 14 . 1 1 13 13 ILE H H 13 8.378 8.378 7.499 0.879 19654 9939 1 14 . 1 1 14 14 SER N N 14 113.892 113.892 115.515 -1.623 19654 9940 1 14 . 1 1 14 14 SER HA H 14 3.889 3.889 4.014 -0.125 19654 9941 1 14 . 1 1 14 14 SER CA C 14 62.310 62.310 61.825 0.485 19654 9942 1 14 . 1 1 14 14 SER CB C 14 62.282 62.282 63.115 -0.833 19654 9943 1 14 . 1 1 14 14 SER H H 14 9.048 9.048 8.450 0.598 19654 9944 1 14 . 1 1 15 15 ARG N N 15 118.890 118.890 121.237 -2.347 19654 9945 1 14 . 1 1 15 15 ARG HA H 15 4.033 4.033 3.971 0.062 19654 9946 1 14 . 1 1 15 15 ARG CA C 15 59.496 59.496 59.499 -0.003 19654 9947 1 14 . 1 1 15 15 ARG CB C 15 29.727 29.727 30.100 -0.373 19654 9948 1 14 . 1 1 15 15 ARG H H 15 7.655 7.655 7.600 0.055 19654 9949 1 14 . 1 1 16 16 TYR N N 16 119.757 119.757 121.317 -1.560 19654 9950 1 14 . 1 1 16 16 TYR HA H 16 4.146 4.146 4.154 -0.008 19654 9951 1 14 . 1 1 16 16 TYR CA C 16 61.265 61.265 61.968 -0.703 19654 9952 1 14 . 1 1 16 16 TYR CB C 16 38.495 38.495 38.225 0.270 19654 9953 1 14 . 1 1 16 16 TYR H H 16 8.351 8.351 7.848 0.503 19654 9954 1 14 . 1 1 17 17 LEU N N 17 118.494 118.494 119.261 -0.767 19654 9955 1 14 . 1 1 17 17 LEU HA H 17 3.375 3.375 3.883 -0.508 19654 9956 1 14 . 1 1 17 17 LEU CA C 17 59.627 59.627 58.646 0.981 19654 9957 1 14 . 1 1 17 17 LEU CB C 17 39.949 39.949 41.209 -1.260 19654 9958 1 14 . 1 1 17 17 LEU H H 17 8.578 8.578 8.312 0.266 19654 9959 1 14 . 1 1 18 18 ARG N N 18 115.962 115.962 119.350 -3.388 19654 9960 1 14 . 1 1 18 18 ARG HA H 18 3.858 3.858 3.944 -0.086 19654 9961 1 14 . 1 1 18 18 ARG CA C 18 60.233 60.233 59.097 1.136 19654 9962 1 14 . 1 1 18 18 ARG CB C 18 29.993 29.993 29.404 0.589 19654 9963 1 14 . 1 1 18 18 ARG H H 18 8.044 8.044 7.697 0.347 19654 9964 1 14 . 1 1 19 19 GLU N N 19 120.998 120.998 119.321 1.677 19654 9965 1 14 . 1 1 19 19 GLU HA H 19 4.153 4.153 3.985 0.168 19654 9966 1 14 . 1 1 19 19 GLU CA C 19 58.857 58.857 59.084 -0.227 19654 9967 1 14 . 1 1 19 19 GLU CB C 19 29.661 29.661 29.034 0.627 19654 9968 1 14 . 1 1 19 19 GLU H H 19 8.268 8.268 8.518 -0.250 19654 9969 1 14 . 1 1 20 20 GLN N N 20 119.903 119.903 119.001 0.902 19654 9970 1 14 . 1 1 20 20 GLN HA H 20 3.715 3.715 4.032 -0.317 19654 9971 1 14 . 1 1 20 20 GLN CA C 20 58.008 58.008 58.045 -0.037 19654 9972 1 14 . 1 1 20 20 GLN CB C 20 28.666 28.666 28.191 0.475 19654 9973 1 14 . 1 1 20 20 GLN H H 20 8.193 8.193 7.993 0.200 19654 9974 1 14 . 1 1 21 21 ALA N N 21 117.771 117.771 120.775 -3.004 19654 9975 1 14 . 1 1 21 21 ALA HA H 21 3.985 3.985 4.025 -0.040 19654 9976 1 14 . 1 1 21 21 ALA CA C 21 54.397 54.397 55.218 -0.821 19654 9977 1 14 . 1 1 21 21 ALA CB C 21 20.022 20.022 18.576 1.446 19654 9978 1 14 . 1 1 21 21 ALA H H 21 7.883 7.883 8.317 -0.434 19654 9979 1 14 . 1 1 22 22 THR N N 22 103.721 103.721 108.383 -4.662 19654 9980 1 14 . 1 1 22 22 THR HA H 22 4.279 4.279 4.155 0.124 19654 9981 1 14 . 1 1 22 22 THR CA C 22 62.357 62.357 63.470 -1.113 19654 9982 1 14 . 1 1 22 22 THR CB C 22 71.071 71.071 70.137 0.934 19654 9983 1 14 . 1 1 22 22 THR H H 22 8.024 8.024 7.911 0.113 19654 9984 1 14 . 1 1 23 23 GLY N N 23 111.610 111.610 111.295 0.315 19654 9985 1 14 . 1 1 23 23 GLY CA C 23 45.574 45.574 45.482 0.092 19654 9986 1 14 . 1 1 23 23 GLY H H 23 8.155 8.155 7.865 0.290 19654 9987 1 14 . 1 1 24 24 ALA N N 24 123.004 123.004 124.409 -1.405 19654 9988 1 14 . 1 1 24 24 ALA HA H 24 4.526 4.526 4.661 -0.135 19654 9989 1 14 . 1 1 24 24 ALA CA C 24 50.763 50.763 50.930 -0.167 19654 9990 1 14 . 1 1 24 24 ALA CB C 24 20.186 20.186 20.204 -0.018 19654 9991 1 14 . 1 1 24 24 ALA H H 24 7.763 7.763 7.387 0.376 19654 9992 1 14 . 1 1 25 25 LYS N N 25 121.392 121.392 124.455 -3.063 19654 9993 1 14 . 1 1 25 25 LYS HA H 25 4.181 4.181 4.448 -0.267 19654 9994 1 14 . 1 1 25 25 LYS CA C 25 55.729 55.729 55.917 -0.188 19654 9995 1 14 . 1 1 25 25 LYS CB C 25 33.175 33.175 32.398 0.777 19654 9996 1 14 . 1 1 25 25 LYS H H 25 8.349 8.349 8.486 -0.137 19654 9997 1 14 . 1 1 26 26 ASP N N 26 124.433 124.433 123.685 0.748 19654 9998 1 14 . 1 1 26 26 ASP HA H 26 4.618 4.618 4.786 -0.168 19654 9999 1 14 . 1 1 26 26 ASP CA C 26 53.735 53.735 53.645 0.090 19654 10000 1 14 . 1 1 26 26 ASP CB C 26 41.402 41.402 43.722 -2.320 19654 10001 1 14 . 1 1 26 26 ASP H H 26 8.803 8.803 8.634 0.169 19654 10002 1 14 . 1 1 27 27 THR N N 27 116.332 116.332 116.673 -0.341 19654 10003 1 14 . 1 1 27 27 THR HA H 27 4.249 4.249 4.358 -0.109 19654 10004 1 14 . 1 1 27 27 THR CA C 27 61.268 61.268 61.001 0.268 19654 10005 1 14 . 1 1 27 27 THR CB C 27 68.993 68.993 69.077 -0.084 19654 10006 1 14 . 1 1 27 27 THR H H 27 8.363 8.363 8.430 -0.067 19654 10007 1 14 . 1 1 28 28 LYS N N 28 125.551 125.551 123.396 2.155 19654 10008 1 14 . 1 1 28 28 LYS HA H 28 4.437 4.437 4.218 0.219 19654 10009 1 14 . 1 1 28 28 LYS CA C 28 55.188 55.188 55.811 -0.623 19654 10010 1 14 . 1 1 28 28 LYS CB C 28 31.409 31.409 32.208 -0.799 19654 10011 1 14 . 1 1 28 28 LYS H H 28 8.346 8.346 7.718 0.628 19654 10012 1 14 . 1 1 29 29 PRO HA H 29 4.392 4.392 4.359 0.033 19654 10013 1 14 . 1 1 29 29 PRO CA C 29 63.164 63.164 63.566 -0.402 19654 10014 1 14 . 1 1 29 29 PRO CB C 29 31.904 31.904 30.367 1.537 19654 10015 1 14 . 1 1 30 30 MET N N 30 121.136 121.136 117.246 3.890 19654 10016 1 14 . 1 1 30 30 MET HA H 30 4.381 4.381 3.944 0.437 19654 10017 1 14 . 1 1 30 30 MET CA C 30 55.229 55.229 57.985 -2.756 19654 10018 1 14 . 1 1 30 30 MET CB C 30 33.819 33.819 31.024 2.795 19654 10019 1 14 . 1 1 30 30 MET H H 30 8.585 8.585 8.704 -0.119 19654 10020 1 14 . 1 1 31 31 GLY N N 31 109.849 109.849 102.080 7.769 19654 10021 1 14 . 1 1 31 31 GLY CA C 31 44.983 44.983 45.307 -0.324 19654 10022 1 14 . 1 1 31 31 GLY H H 31 8.930 8.930 8.365 0.565 19654 10023 1 14 . 1 1 32 32 ARG N N 32 121.001 121.001 120.743 0.258 19654 10024 1 14 . 1 1 32 32 ARG HA H 32 4.239 4.239 4.631 -0.392 19654 10025 1 14 . 1 1 32 32 ARG CA C 32 56.755 56.755 56.143 0.612 19654 10026 1 14 . 1 1 32 32 ARG CB C 32 30.110 30.110 32.360 -2.250 19654 10027 1 14 . 1 1 32 32 ARG H H 32 8.447 8.447 8.785 -0.338 19654 10028 1 14 . 1 1 33 33 SER N N 33 119.991 119.991 116.303 3.688 19654 10029 1 14 . 1 1 33 33 SER HA H 33 4.386 4.386 4.572 -0.186 19654 10030 1 14 . 1 1 33 33 SER CA C 33 58.502 58.502 58.628 -0.126 19654 10031 1 14 . 1 1 33 33 SER CB C 33 62.609 62.609 64.427 -1.818 19654 10032 1 14 . 1 1 33 33 SER H H 33 8.667 8.667 8.314 0.353 19654 10033 1 14 . 1 1 34 34 GLY N N 34 108.582 108.582 108.543 0.039 19654 10034 1 14 . 1 1 34 34 GLY CA C 34 46.637 46.637 45.207 1.430 19654 10035 1 14 . 1 1 34 34 GLY H H 34 8.216 8.216 8.166 0.050 19654 10036 1 14 . 1 1 35 35 ALA N N 35 123.445 123.445 125.205 -1.760 19654 10037 1 14 . 1 1 35 35 ALA HA H 35 4.193 4.193 4.013 0.180 19654 10038 1 14 . 1 1 35 35 ALA CA C 35 54.770 54.770 55.597 -0.827 19654 10039 1 14 . 1 1 35 35 ALA CB C 35 18.437 18.437 18.143 0.294 19654 10040 1 14 . 1 1 35 35 ALA H H 35 8.506 8.506 8.490 0.016 19654 10041 1 14 . 1 1 36 36 THR N N 36 115.716 115.716 114.060 1.656 19654 10042 1 14 . 1 1 36 36 THR HA H 36 3.919 3.919 4.074 -0.155 19654 10043 1 14 . 1 1 36 36 THR CA C 36 67.249 67.249 66.304 0.945 19654 10044 1 14 . 1 1 36 36 THR CB C 36 68.225 68.225 68.686 -0.461 19654 10045 1 14 . 1 1 36 36 THR H H 36 8.262 8.262 8.339 -0.077 19654 10046 1 14 . 1 1 37 37 SER N N 37 117.911 117.911 117.814 0.097 19654 10047 1 14 . 1 1 37 37 SER HA H 37 3.869 3.869 4.003 -0.134 19654 10048 1 14 . 1 1 37 37 SER CA C 37 62.333 62.333 62.056 0.277 19654 10049 1 14 . 1 1 37 37 SER CB C 37 62.333 62.333 62.865 -0.532 19654 10050 1 14 . 1 1 37 37 SER H H 37 8.389 8.389 8.241 0.148 19654 10051 1 14 . 1 1 38 38 ARG N N 38 120.924 120.924 122.381 -1.457 19654 10052 1 14 . 1 1 38 38 ARG HA H 38 3.901 3.901 4.079 -0.178 19654 10053 1 14 . 1 1 38 38 ARG CA C 38 59.923 59.923 59.332 0.591 19654 10054 1 14 . 1 1 38 38 ARG CB C 38 29.759 29.759 30.493 -0.734 19654 10055 1 14 . 1 1 38 38 ARG H H 38 8.278 8.278 8.461 -0.183 19654 10056 1 14 . 1 1 39 39 LYS N N 39 119.172 119.172 118.843 0.329 19654 10057 1 14 . 1 1 39 39 LYS HA H 39 4.151 4.151 4.184 -0.033 19654 10058 1 14 . 1 1 39 39 LYS CA C 39 59.086 59.086 59.546 -0.460 19654 10059 1 14 . 1 1 39 39 LYS CB C 39 32.807 32.807 31.847 0.960 19654 10060 1 14 . 1 1 39 39 LYS H H 39 7.930 7.930 8.347 -0.417 19654 10061 1 14 . 1 1 40 40 ALA N N 40 125.586 125.586 123.440 2.146 19654 10062 1 14 . 1 1 40 40 ALA HA H 40 4.175 4.175 4.353 -0.178 19654 10063 1 14 . 1 1 40 40 ALA CA C 40 55.633 55.633 54.988 0.645 19654 10064 1 14 . 1 1 40 40 ALA CB C 40 18.675 18.675 18.512 0.163 19654 10065 1 14 . 1 1 40 40 ALA H H 40 9.192 9.192 7.778 1.414 19654 10066 1 14 . 1 1 41 41 LEU N N 41 120.080 120.080 120.111 -0.031 19654 10067 1 14 . 1 1 41 41 LEU HA H 41 3.930 3.930 4.034 -0.104 19654 10068 1 14 . 1 1 41 41 LEU CA C 41 58.169 58.169 58.079 0.090 19654 10069 1 14 . 1 1 41 41 LEU CB C 41 41.683 41.683 41.855 -0.172 19654 10070 1 14 . 1 1 41 41 LEU H H 41 8.209 8.209 7.869 0.340 19654 10071 1 14 . 1 1 42 42 GLU N N 42 117.875 117.875 117.771 0.104 19654 10072 1 14 . 1 1 42 42 GLU HA H 42 3.977 3.977 4.078 -0.101 19654 10073 1 14 . 1 1 42 42 GLU CA C 42 59.335 59.335 59.473 -0.138 19654 10074 1 14 . 1 1 42 42 GLU CB C 42 29.176 29.176 29.130 0.046 19654 10075 1 14 . 1 1 42 42 GLU H H 42 8.197 8.197 8.698 -0.501 19654 10076 1 14 . 1 1 43 43 THR N N 43 116.912 116.912 117.560 -0.648 19654 10077 1 14 . 1 1 43 43 THR HA H 43 3.793 3.793 4.103 -0.310 19654 10078 1 14 . 1 1 43 43 THR CA C 43 67.517 67.517 67.037 0.480 19654 10079 1 14 . 1 1 43 43 THR CB C 43 68.089 68.089 68.506 -0.417 19654 10080 1 14 . 1 1 43 43 THR H H 43 8.183 8.183 7.848 0.335 19654 10081 1 14 . 1 1 44 44 LEU N N 44 123.099 123.099 121.371 1.728 19654 10082 1 14 . 1 1 44 44 LEU HA H 44 3.699 3.699 4.054 -0.355 19654 10083 1 14 . 1 1 44 44 LEU CA C 44 58.261 58.261 58.325 -0.064 19654 10084 1 14 . 1 1 44 44 LEU CB C 44 40.988 40.988 41.475 -0.487 19654 10085 1 14 . 1 1 44 44 LEU H H 44 8.509 8.509 8.860 -0.351 19654 10086 1 14 . 1 1 45 45 ARG N N 45 116.885 116.885 117.486 -0.601 19654 10087 1 14 . 1 1 45 45 ARG HA H 45 4.125 4.125 4.489 -0.364 19654 10088 1 14 . 1 1 45 45 ARG CA C 45 59.617 59.617 58.502 1.115 19654 10089 1 14 . 1 1 45 45 ARG CB C 45 30.423 30.423 29.758 0.665 19654 10090 1 14 . 1 1 45 45 ARG H H 45 8.398 8.398 7.820 0.578 19654 10091 1 14 . 1 1 46 46 ARG N N 46 117.297 117.297 121.303 -4.006 19654 10092 1 14 . 1 1 46 46 ARG HA H 46 4.229 4.229 4.106 0.123 19654 10093 1 14 . 1 1 46 46 ARG CA C 46 58.427 58.427 59.260 -0.833 19654 10094 1 14 . 1 1 46 46 ARG CB C 46 30.408 30.408 30.351 0.058 19654 10095 1 14 . 1 1 46 46 ARG H H 46 7.421 7.421 8.165 -0.744 19654 10096 1 14 . 1 1 47 47 VAL N N 47 114.304 114.304 112.790 1.514 19654 10097 1 14 . 1 1 47 47 VAL HA H 47 4.094 4.094 4.238 -0.144 19654 10098 1 14 . 1 1 47 47 VAL CA C 47 63.242 63.242 64.314 -1.072 19654 10099 1 14 . 1 1 47 47 VAL CB C 47 32.378 32.378 31.922 0.456 19654 10100 1 14 . 1 1 47 47 VAL H H 47 8.515 8.515 8.244 0.271 19654 10101 1 14 . 1 1 48 48 GLY N N 48 110.132 110.132 109.281 0.851 19654 10102 1 14 . 1 1 48 48 GLY CA C 48 46.588 46.588 47.470 -0.882 19654 10103 1 14 . 1 1 48 48 GLY H H 48 8.890 8.890 8.432 0.458 19654 10104 1 14 . 1 1 49 49 ASP N N 49 121.292 121.292 122.407 -1.115 19654 10105 1 14 . 1 1 49 49 ASP HA H 49 4.456 4.456 4.423 0.033 19654 10106 1 14 . 1 1 49 49 ASP CA C 49 57.787 57.787 57.502 0.285 19654 10107 1 14 . 1 1 49 49 ASP CB C 49 40.912 40.912 40.545 0.367 19654 10108 1 14 . 1 1 49 49 ASP H H 49 7.392 7.392 8.130 -0.738 19654 10109 1 14 . 1 1 50 50 GLY N N 50 106.682 106.682 107.975 -1.293 19654 10110 1 14 . 1 1 50 50 GLY CA C 50 46.932 46.932 46.696 0.236 19654 10111 1 14 . 1 1 50 50 GLY H H 50 8.132 8.132 7.810 0.322 19654 10112 1 14 . 1 1 51 51 VAL N N 51 121.747 121.747 122.710 -0.963 19654 10113 1 14 . 1 1 51 51 VAL HA H 51 3.944 3.944 3.404 0.540 19654 10114 1 14 . 1 1 51 51 VAL CA C 51 66.355 66.355 66.347 0.008 19654 10115 1 14 . 1 1 51 51 VAL CB C 51 31.594 31.594 31.358 0.235 19654 10116 1 14 . 1 1 51 51 VAL H H 51 7.476 7.476 8.113 -0.637 19654 10117 1 14 . 1 1 52 52 GLN N N 52 118.494 118.494 117.174 1.320 19654 10118 1 14 . 1 1 52 52 GLN HA H 52 3.913 3.913 4.004 -0.091 19654 10119 1 14 . 1 1 52 52 GLN CA C 52 60.391 60.391 58.825 1.566 19654 10120 1 14 . 1 1 52 52 GLN CB C 52 29.682 29.682 28.639 1.043 19654 10121 1 14 . 1 1 52 52 GLN H H 52 8.439 8.439 8.286 0.153 19654 10122 1 14 . 1 1 53 53 ARG N N 53 116.807 116.807 119.603 -2.796 19654 10123 1 14 . 1 1 53 53 ARG HA H 53 4.163 4.163 4.043 0.120 19654 10124 1 14 . 1 1 53 53 ARG CA C 53 59.086 59.086 59.368 -0.283 19654 10125 1 14 . 1 1 53 53 ARG CB C 53 30.009 30.009 30.143 -0.134 19654 10126 1 14 . 1 1 53 53 ARG H H 53 7.873 7.873 7.642 0.231 19654 10127 1 14 . 1 1 54 54 ASN N N 54 116.356 116.356 115.091 1.265 19654 10128 1 14 . 1 1 54 54 ASN HA H 54 4.448 4.448 4.511 -0.063 19654 10129 1 14 . 1 1 54 54 ASN CA C 54 54.694 54.694 55.462 -0.768 19654 10130 1 14 . 1 1 54 54 ASN CB C 54 38.302 38.302 38.272 0.030 19654 10131 1 14 . 1 1 54 54 ASN H H 54 8.123 8.123 7.728 0.395 19654 10132 1 14 . 1 1 55 55 HIS N N 55 114.809 114.809 118.364 -3.555 19654 10133 1 14 . 1 1 55 55 HIS HA H 55 4.504 4.504 4.042 0.462 19654 10134 1 14 . 1 1 55 55 HIS CA C 55 55.949 55.949 57.096 -1.147 19654 10135 1 14 . 1 1 55 55 HIS CB C 55 28.341 28.341 29.792 -1.451 19654 10136 1 14 . 1 1 55 55 HIS H H 55 7.558 7.558 8.388 -0.830 19654 10137 1 14 . 1 1 56 56 GLU N N 56 121.943 121.943 120.678 1.265 19654 10138 1 14 . 1 1 56 56 GLU HA H 56 3.640 3.640 3.391 0.249 19654 10139 1 14 . 1 1 56 56 GLU CA C 56 61.360 61.360 59.728 1.631 19654 10140 1 14 . 1 1 56 56 GLU CB C 56 30.006 30.006 29.331 0.675 19654 10141 1 14 . 1 1 56 56 GLU H H 56 7.071 7.071 7.865 -0.794 19654 10142 1 14 . 1 1 57 57 THR N N 57 112.827 112.827 113.818 -0.991 19654 10143 1 14 . 1 1 57 57 THR HA H 57 3.984 3.984 4.003 -0.019 19654 10144 1 14 . 1 1 57 57 THR CA C 57 66.247 66.247 66.034 0.214 19654 10145 1 14 . 1 1 57 57 THR CB C 57 68.002 68.002 68.536 -0.534 19654 10146 1 14 . 1 1 57 57 THR H H 57 8.324 8.324 7.910 0.414 19654 10147 1 14 . 1 1 58 58 ALA N N 58 126.520 126.520 123.202 3.318 19654 10148 1 14 . 1 1 58 58 ALA HA H 58 4.147 4.147 4.122 0.025 19654 10149 1 14 . 1 1 58 58 ALA CA C 58 54.707 54.707 54.528 0.179 19654 10150 1 14 . 1 1 58 58 ALA CB C 58 17.734 17.734 17.956 -0.222 19654 10151 1 14 . 1 1 58 58 ALA H H 58 7.910 7.910 7.155 0.755 19654 10152 1 14 . 1 1 59 59 PHE N N 59 119.326 119.326 117.907 1.419 19654 10153 1 14 . 1 1 59 59 PHE HA H 59 4.518 4.518 4.194 0.324 19654 10154 1 14 . 1 1 59 59 PHE CA C 59 56.946 56.946 58.691 -1.745 19654 10155 1 14 . 1 1 59 59 PHE CB C 59 34.583 34.583 37.695 -3.112 19654 10156 1 14 . 1 1 59 59 PHE H H 59 9.017 9.017 8.139 0.878 19654 10157 1 14 . 1 1 60 60 GLN N N 60 119.670 119.670 118.640 1.030 19654 10158 1 14 . 1 1 60 60 GLN HA H 60 4.232 4.232 4.082 0.150 19654 10159 1 14 . 1 1 60 60 GLN CA C 60 59.359 59.359 59.575 -0.216 19654 10160 1 14 . 1 1 60 60 GLN CB C 60 28.009 28.009 27.990 0.019 19654 10161 1 14 . 1 1 60 60 GLN H H 60 8.678 8.678 8.868 -0.190 19654 10162 1 14 . 1 1 61 61 GLY N N 61 106.140 106.140 105.615 0.525 19654 10163 1 14 . 1 1 61 61 GLY CA C 61 47.085 47.085 47.047 0.038 19654 10164 1 14 . 1 1 61 61 GLY H H 61 7.975 7.975 7.934 0.041 19654 10165 1 14 . 1 1 62 62 MET N N 62 120.973 120.973 120.583 0.390 19654 10166 1 14 . 1 1 62 62 MET HA H 62 4.080 4.080 4.289 -0.209 19654 10167 1 14 . 1 1 62 62 MET CA C 62 58.752 58.752 58.464 0.288 19654 10168 1 14 . 1 1 62 62 MET CB C 62 33.824 33.824 32.760 1.064 19654 10169 1 14 . 1 1 62 62 MET H H 62 8.007 8.007 7.578 0.429 19654 10170 1 14 . 1 1 63 63 LEU N N 63 119.043 119.043 120.586 -1.543 19654 10171 1 14 . 1 1 63 63 LEU HA H 63 4.139 4.139 3.954 0.185 19654 10172 1 14 . 1 1 63 63 LEU CA C 63 57.645 57.645 58.304 -0.659 19654 10173 1 14 . 1 1 63 63 LEU CB C 63 42.173 42.173 40.695 1.478 19654 10174 1 14 . 1 1 63 63 LEU H H 63 8.394 8.394 8.714 -0.320 19654 10175 1 14 . 1 1 64 64 ARG N N 64 117.294 117.294 118.415 -1.121 19654 10176 1 14 . 1 1 64 64 ARG HA H 64 4.090 4.090 4.011 0.079 19654 10177 1 14 . 1 1 64 64 ARG CA C 64 58.551 58.551 58.977 -0.426 19654 10178 1 14 . 1 1 64 64 ARG CB C 64 29.772 29.772 30.058 -0.287 19654 10179 1 14 . 1 1 64 64 ARG H H 64 7.912 7.912 8.236 -0.324 19654 10180 1 14 . 1 1 65 65 LYS N N 65 116.840 116.840 117.999 -1.159 19654 10181 1 14 . 1 1 65 65 LYS HA H 65 4.165 4.165 4.236 -0.071 19654 10182 1 14 . 1 1 65 65 LYS CA C 65 57.175 57.175 57.492 -0.317 19654 10183 1 14 . 1 1 65 65 LYS CB C 65 32.299 32.299 32.721 -0.422 19654 10184 1 14 . 1 1 65 65 LYS H H 65 7.506 7.506 7.606 -0.100 19654 10185 1 14 . 1 1 66 66 LEU N N 66 119.257 119.257 119.657 -0.400 19654 10186 1 14 . 1 1 66 66 LEU HA H 66 4.232 4.232 4.176 0.056 19654 10187 1 14 . 1 1 66 66 LEU CA C 66 55.442 55.442 56.858 -1.416 19654 10188 1 14 . 1 1 66 66 LEU CB C 66 43.042 43.042 42.474 0.568 19654 10189 1 14 . 1 1 66 66 LEU H H 66 7.736 7.736 8.160 -0.424 19654 10190 1 14 . 1 1 67 67 ASP N N 67 119.743 119.743 118.360 1.383 19654 10191 1 14 . 1 1 67 67 ASP HA H 67 4.457 4.457 4.412 0.045 19654 10192 1 14 . 1 1 67 67 ASP CA C 67 53.850 53.850 54.529 -0.679 19654 10193 1 14 . 1 1 67 67 ASP CB C 67 40.195 40.195 40.672 -0.477 19654 10194 1 14 . 1 1 67 67 ASP H H 67 8.068 8.068 7.947 0.121 19654 10195 1 14 . 1 1 68 68 ILE N N 68 120.055 120.055 121.455 -1.400 19654 10196 1 14 . 1 1 68 68 ILE HA H 68 3.870 3.870 4.021 -0.151 19654 10197 1 14 . 1 1 68 68 ILE CA C 68 61.524 61.524 62.025 -0.501 19654 10198 1 14 . 1 1 68 68 ILE CB C 68 37.986 37.986 36.752 1.234 19654 10199 1 14 . 1 1 68 68 ILE H H 68 8.275 8.275 8.568 -0.293 19654 10200 1 14 . 1 1 69 69 LYS N N 69 126.186 126.186 127.550 -1.364 19654 10201 1 14 . 1 1 69 69 LYS HA H 69 4.481 4.481 4.417 0.064 19654 10202 1 14 . 1 1 69 69 LYS CA C 69 56.304 56.304 55.808 0.496 19654 10203 1 14 . 1 1 69 69 LYS CB C 69 34.136 34.136 33.410 0.726 19654 10204 1 14 . 1 1 69 69 LYS H H 69 9.722 9.722 8.992 0.730 19654 10205 1 14 . 1 1 70 70 ASN N N 70 115.056 115.056 115.851 -0.795 19654 10206 1 14 . 1 1 70 70 ASN HA H 70 4.700 4.700 4.784 -0.084 19654 10207 1 14 . 1 1 70 70 ASN CA C 70 51.977 51.977 51.948 0.029 19654 10208 1 14 . 1 1 70 70 ASN CB C 70 39.474 39.474 39.894 -0.420 19654 10209 1 14 . 1 1 70 70 ASN H H 70 7.959 7.959 8.271 -0.312 19654 10210 1 14 . 1 1 71 71 GLU N N 71 118.214 118.214 119.567 -1.353 19654 10211 1 14 . 1 1 71 71 GLU HA H 71 3.967 3.967 3.909 0.058 19654 10212 1 14 . 1 1 71 71 GLU CA C 71 59.354 59.354 59.877 -0.523 19654 10213 1 14 . 1 1 71 71 GLU CB C 71 29.520 29.520 29.576 -0.056 19654 10214 1 14 . 1 1 71 71 GLU H H 71 8.831 8.831 8.919 -0.088 19654 10215 1 14 . 1 1 72 72 ASP N N 72 120.319 120.319 118.472 1.847 19654 10216 1 14 . 1 1 72 72 ASP HA H 72 4.422 4.422 4.333 0.089 19654 10217 1 14 . 1 1 72 72 ASP CA C 72 57.036 57.036 57.446 -0.410 19654 10218 1 14 . 1 1 72 72 ASP CB C 72 39.945 39.945 40.638 -0.693 19654 10219 1 14 . 1 1 72 72 ASP H H 72 8.167 8.167 8.146 0.021 19654 10220 1 14 . 1 1 73 73 ASP N N 73 119.793 119.793 119.155 0.638 19654 10221 1 14 . 1 1 73 73 ASP HA H 73 4.521 4.521 4.396 0.125 19654 10222 1 14 . 1 1 73 73 ASP CA C 73 56.337 56.337 57.550 -1.213 19654 10223 1 14 . 1 1 73 73 ASP CB C 73 41.927 41.927 40.555 1.372 19654 10224 1 14 . 1 1 73 73 ASP H H 73 8.153 8.153 7.952 0.201 19654 10225 1 14 . 1 1 74 74 VAL N N 74 117.572 117.572 120.022 -2.450 19654 10226 1 14 . 1 1 74 74 VAL HA H 74 3.714 3.714 3.635 0.079 19654 10227 1 14 . 1 1 74 74 VAL CA C 74 65.498 65.498 66.325 -0.827 19654 10228 1 14 . 1 1 74 74 VAL CB C 74 31.077 31.077 31.563 -0.486 19654 10229 1 14 . 1 1 74 74 VAL H H 74 7.629 7.629 7.376 0.253 19654 10230 1 14 . 1 1 75 75 LYS N N 75 119.403 119.403 118.887 0.516 19654 10231 1 14 . 1 1 75 75 LYS HA H 75 4.154 4.154 3.972 0.182 19654 10232 1 14 . 1 1 75 75 LYS CA C 75 59.034 59.034 59.679 -0.645 19654 10233 1 14 . 1 1 75 75 LYS CB C 75 31.909 31.909 32.086 -0.177 19654 10234 1 14 . 1 1 75 75 LYS H H 75 7.961 7.961 7.813 0.148 19654 10235 1 14 . 1 1 76 76 SER N N 76 114.355 114.355 116.264 -1.909 19654 10236 1 14 . 1 1 76 76 SER HA H 76 4.453 4.453 4.260 0.193 19654 10237 1 14 . 1 1 76 76 SER CA C 76 60.061 60.061 61.173 -1.112 19654 10238 1 14 . 1 1 76 76 SER CB C 76 63.023 63.023 63.045 -0.022 19654 10239 1 14 . 1 1 76 76 SER H H 76 7.919 7.919 8.074 -0.155 19654 10240 1 14 . 1 1 77 77 LEU N N 77 121.954 121.954 122.052 -0.098 19654 10241 1 14 . 1 1 77 77 LEU HA H 77 4.230 4.230 4.036 0.194 19654 10242 1 14 . 1 1 77 77 LEU CA C 77 56.764 56.764 57.813 -1.049 19654 10243 1 14 . 1 1 77 77 LEU CB C 77 41.695 41.695 41.614 0.081 19654 10244 1 14 . 1 1 77 77 LEU H H 77 7.883 7.883 8.414 -0.531 19654 10245 1 14 . 1 1 78 78 SER N N 78 115.268 115.268 113.967 1.301 19654 10246 1 14 . 1 1 78 78 SER HA H 78 3.962 3.962 4.014 -0.052 19654 10247 1 14 . 1 1 78 78 SER CA C 78 62.337 62.337 61.735 0.602 19654 10248 1 14 . 1 1 78 78 SER CB C 78 62.218 62.218 62.967 -0.749 19654 10249 1 14 . 1 1 78 78 SER H H 78 8.185 8.185 8.058 0.127 19654 10250 1 14 . 1 1 79 79 ARG N N 79 119.021 119.021 120.031 -1.010 19654 10251 1 14 . 1 1 79 79 ARG HA H 79 4.090 4.090 4.123 -0.033 19654 10252 1 14 . 1 1 79 79 ARG CA C 79 58.849 58.849 58.399 0.450 19654 10253 1 14 . 1 1 79 79 ARG CB C 79 29.930 29.930 29.705 0.225 19654 10254 1 14 . 1 1 79 79 ARG H H 79 7.684 7.684 7.467 0.217 19654 10255 1 14 . 1 1 80 80 VAL N N 80 116.979 116.979 121.432 -4.453 19654 10256 1 14 . 1 1 80 80 VAL HA H 80 3.953 3.953 3.901 0.052 19654 10257 1 14 . 1 1 80 80 VAL CA C 80 64.228 64.228 66.316 -2.088 19654 10258 1 14 . 1 1 80 80 VAL CB C 80 32.210 32.210 31.709 0.501 19654 10259 1 14 . 1 1 80 80 VAL H H 80 7.479 7.479 7.495 -0.016 19654 10260 1 14 . 1 1 81 81 MET N N 81 117.822 117.822 118.477 -0.655 19654 10261 1 14 . 1 1 81 81 MET HA H 81 4.053 4.053 4.103 -0.050 19654 10262 1 14 . 1 1 81 81 MET CA C 81 58.322 58.322 57.466 0.856 19654 10263 1 14 . 1 1 81 81 MET CB C 81 32.555 32.555 31.286 1.269 19654 10264 1 14 . 1 1 81 81 MET H H 81 8.104 8.104 8.330 -0.226 19654 10265 1 14 . 1 1 82 82 ILE N N 82 116.348 116.348 119.280 -2.932 19654 10266 1 14 . 1 1 82 82 ILE HA H 82 3.815 3.815 3.684 0.131 19654 10267 1 14 . 1 1 82 82 ILE CA C 82 63.653 63.653 64.840 -1.187 19654 10268 1 14 . 1 1 82 82 ILE CB C 82 37.879 37.879 37.373 0.506 19654 10269 1 14 . 1 1 82 82 ILE H H 82 7.789 7.789 7.770 0.019 19654 10270 1 14 . 1 1 83 83 HIS N N 83 118.994 118.994 117.527 1.467 19654 10271 1 14 . 1 1 83 83 HIS HA H 83 4.409 4.409 4.335 0.074 19654 10272 1 14 . 1 1 83 83 HIS CA C 83 58.245 58.245 59.663 -1.418 19654 10273 1 14 . 1 1 83 83 HIS CB C 83 29.735 29.735 29.536 0.199 19654 10274 1 14 . 1 1 83 83 HIS H H 83 7.543 7.543 7.443 0.100 19654 10275 1 14 . 1 1 84 84 VAL N N 84 117.112 117.112 120.242 -3.130 19654 10276 1 14 . 1 1 84 84 VAL HA H 84 3.631 3.631 3.571 0.060 19654 10277 1 14 . 1 1 84 84 VAL CA C 84 64.628 64.628 66.184 -1.556 19654 10278 1 14 . 1 1 84 84 VAL CB C 84 31.904 31.904 31.405 0.499 19654 10279 1 14 . 1 1 84 84 VAL H H 84 7.713 7.713 7.870 -0.157 19654 10280 1 14 . 1 1 85 85 PHE N N 85 115.531 115.531 114.136 1.395 19654 10281 1 14 . 1 1 85 85 PHE HA H 85 4.733 4.733 4.467 0.266 19654 10282 1 14 . 1 1 85 85 PHE CA C 85 57.326 57.326 58.164 -0.838 19654 10283 1 14 . 1 1 85 85 PHE CB C 85 39.507 39.507 38.167 1.339 19654 10284 1 14 . 1 1 85 85 PHE H H 85 7.743 7.743 7.423 0.320 19654 10285 1 14 . 1 1 86 86 SER N N 86 114.812 114.812 114.235 0.577 19654 10286 1 14 . 1 1 86 86 SER HA H 86 4.275 4.275 4.360 -0.085 19654 10287 1 14 . 1 1 86 86 SER CA C 86 59.832 59.832 58.964 0.868 19654 10288 1 14 . 1 1 86 86 SER CB C 86 63.482 63.482 63.347 0.135 19654 10289 1 14 . 1 1 86 86 SER H H 86 7.634 7.634 7.788 -0.154 19654 10290 1 14 . 1 1 87 87 ASP N N 87 120.986 120.986 120.853 0.133 19654 10291 1 14 . 1 1 87 87 ASP HA H 87 4.491 4.491 4.408 0.083 19654 10292 1 14 . 1 1 87 87 ASP CA C 87 54.032 54.032 56.079 -2.047 19654 10293 1 14 . 1 1 87 87 ASP CB C 87 40.411 40.411 41.230 -0.819 19654 10294 1 14 . 1 1 87 87 ASP H H 87 8.043 8.043 7.544 0.499 19654 10295 1 14 . 1 1 88 88 GLY N N 88 108.171 108.171 107.200 0.971 19654 10296 1 14 . 1 1 88 88 GLY CA C 88 44.981 44.981 44.815 0.166 19654 10297 1 14 . 1 1 88 88 GLY H H 88 8.163 8.163 8.417 -0.254 19654 10298 1 14 . 1 1 89 89 VAL N N 89 121.716 121.716 123.062 -1.346 19654 10299 1 14 . 1 1 89 89 VAL HA H 89 3.879 3.879 4.150 -0.271 19654 10300 1 14 . 1 1 89 89 VAL CA C 89 62.471 62.471 61.221 1.250 19654 10301 1 14 . 1 1 89 89 VAL CB C 89 32.418 32.418 29.828 2.591 19654 10302 1 14 . 1 1 89 89 VAL H H 89 7.886 7.886 8.086 -0.200 19654 10303 1 14 . 1 1 90 90 THR N N 90 121.669 121.669 123.736 -2.067 19654 10304 1 14 . 1 1 90 90 THR HA H 90 3.657 3.657 4.080 -0.423 19654 10305 1 14 . 1 1 90 90 THR CA C 90 62.473 62.473 63.303 -0.830 19654 10306 1 14 . 1 1 90 90 THR CB C 90 68.528 68.528 67.951 0.577 19654 10307 1 14 . 1 1 90 90 THR H H 90 8.201 8.201 8.050 0.151 19654 10308 1 14 . 1 1 91 91 ASN HA H 91 4.162 4.162 4.210 -0.048 19654 10309 1 14 . 1 1 91 91 ASN CA C 91 51.748 51.748 51.404 0.344 19654 10310 1 14 . 1 1 91 91 ASN CB C 91 39.645 39.645 39.874 -0.229 19654 10311 1 14 . 1 1 91 91 ASN H H 91 8.826 8.826 7.925 0.901 19654 10312 1 14 . 1 1 92 92 TRP N N 92 118.437 118.437 121.182 -2.745 19654 10313 1 14 . 1 1 92 92 TRP HA H 92 4.739 4.739 4.405 0.334 19654 10314 1 14 . 1 1 92 92 TRP CA C 92 60.233 60.233 59.248 0.985 19654 10315 1 14 . 1 1 92 92 TRP CB C 92 30.167 30.167 29.045 1.122 19654 10316 1 14 . 1 1 92 92 TRP H H 92 8.942 8.942 8.084 0.858 19654 10317 1 14 . 1 1 93 93 GLY N N 93 108.154 108.154 107.925 0.229 19654 10318 1 14 . 1 1 93 93 GLY CA C 93 47.544 47.544 46.819 0.725 19654 10319 1 14 . 1 1 93 93 GLY H H 93 8.697 8.697 8.527 0.170 19654 10320 1 14 . 1 1 94 94 ARG N N 94 122.547 122.547 121.327 1.220 19654 10321 1 14 . 1 1 94 94 ARG HA H 94 4.072 4.072 4.244 -0.172 19654 10322 1 14 . 1 1 94 94 ARG CA C 94 58.556 58.556 57.528 1.028 19654 10323 1 14 . 1 1 94 94 ARG CB C 94 30.201 30.201 29.635 0.566 19654 10324 1 14 . 1 1 94 94 ARG H H 94 8.353 8.353 7.764 0.589 19654 10325 1 14 . 1 1 95 95 ILE N N 95 120.130 120.130 120.332 -0.202 19654 10326 1 14 . 1 1 95 95 ILE HA H 95 3.708 3.708 3.888 -0.180 19654 10327 1 14 . 1 1 95 95 ILE CA C 95 65.511 65.511 64.039 1.472 19654 10328 1 14 . 1 1 95 95 ILE CB C 95 37.486 37.486 36.579 0.907 19654 10329 1 14 . 1 1 95 95 ILE H H 95 7.545 7.545 7.426 0.119 19654 10330 1 14 . 1 1 96 96 VAL N N 96 119.403 119.403 119.817 -0.414 19654 10331 1 14 . 1 1 96 96 VAL HA H 96 3.723 3.723 3.495 0.228 19654 10332 1 14 . 1 1 96 96 VAL CA C 96 67.249 67.249 67.279 -0.030 19654 10333 1 14 . 1 1 96 96 VAL CB C 96 31.001 31.001 31.054 -0.053 19654 10334 1 14 . 1 1 96 96 VAL H H 96 8.990 8.990 7.750 1.240 19654 10335 1 14 . 1 1 97 97 THR N N 97 122.016 122.016 117.544 4.472 19654 10336 1 14 . 1 1 97 97 THR HA H 97 3.784 3.784 4.188 -0.404 19654 10337 1 14 . 1 1 97 97 THR CA C 97 68.159 68.159 66.597 1.562 19654 10338 1 14 . 1 1 97 97 THR CB C 97 67.212 67.212 68.714 -1.502 19654 10339 1 14 . 1 1 97 97 THR H H 97 8.605 8.605 7.672 0.933 19654 10340 1 14 . 1 1 98 98 LEU N N 98 122.476 122.476 123.389 -0.913 19654 10341 1 14 . 1 1 98 98 LEU HA H 98 3.805 3.805 4.046 -0.241 19654 10342 1 14 . 1 1 98 98 LEU CA C 98 58.818 58.818 58.111 0.707 19654 10343 1 14 . 1 1 98 98 LEU CB C 98 41.158 41.158 41.758 -0.600 19654 10344 1 14 . 1 1 98 98 LEU H H 98 7.769 7.769 8.094 -0.325 19654 10345 1 14 . 1 1 99 99 ILE N N 99 117.997 117.997 118.079 -0.082 19654 10346 1 14 . 1 1 99 99 ILE HA H 99 3.509 3.509 3.633 -0.124 19654 10347 1 14 . 1 1 99 99 ILE CA C 99 66.261 66.261 65.748 0.513 19654 10348 1 14 . 1 1 99 99 ILE CB C 99 38.350 38.350 37.391 0.959 19654 10349 1 14 . 1 1 99 99 ILE H H 99 8.175 8.175 8.268 -0.093 19654 10350 1 14 . 1 1 100 100 SER N N 100 116.934 116.934 117.170 -0.236 19654 10351 1 14 . 1 1 100 100 SER HA H 100 4.447 4.447 4.366 0.081 19654 10352 1 14 . 1 1 100 100 SER CA C 100 63.290 63.290 62.156 1.134 19654 10353 1 14 . 1 1 100 100 SER CB C 100 62.867 62.867 62.903 -0.036 19654 10354 1 14 . 1 1 100 100 SER H H 100 8.989 8.989 8.627 0.362 19654 10355 1 14 . 1 1 101 101 PHE N N 101 124.640 124.640 124.659 -0.019 19654 10356 1 14 . 1 1 101 101 PHE HA H 101 3.420 3.420 3.846 -0.426 19654 10357 1 14 . 1 1 101 101 PHE CA C 101 60.499 60.499 60.167 0.332 19654 10358 1 14 . 1 1 101 101 PHE CB C 101 37.333 37.333 38.344 -1.011 19654 10359 1 14 . 1 1 101 101 PHE H H 101 8.513 8.513 8.164 0.349 19654 10360 1 14 . 1 1 102 102 GLY N N 102 106.116 106.116 106.957 -0.841 19654 10361 1 14 . 1 1 102 102 GLY CA C 102 48.166 48.166 47.055 1.111 19654 10362 1 14 . 1 1 102 102 GLY H H 102 8.111 8.111 8.200 -0.089 19654 10363 1 14 . 1 1 103 103 ALA N N 103 124.560 124.560 124.537 0.023 19654 10364 1 14 . 1 1 103 103 ALA HA H 103 3.780 3.780 4.033 -0.253 19654 10365 1 14 . 1 1 103 103 ALA CA C 103 55.646 55.646 54.730 0.916 19654 10366 1 14 . 1 1 103 103 ALA CB C 103 18.476 18.476 18.823 -0.347 19654 10367 1 14 . 1 1 103 103 ALA H H 103 8.437 8.437 8.169 0.268 19654 10368 1 14 . 1 1 104 104 PHE N N 104 120.981 120.981 120.376 0.605 19654 10369 1 14 . 1 1 104 104 PHE HA H 104 3.989 3.989 4.234 -0.245 19654 10370 1 14 . 1 1 104 104 PHE CA C 104 62.258 62.258 61.625 0.633 19654 10371 1 14 . 1 1 104 104 PHE CB C 104 39.949 39.949 39.610 0.339 19654 10372 1 14 . 1 1 104 104 PHE H H 104 8.213 8.213 8.445 -0.232 19654 10373 1 14 . 1 1 105 105 VAL N N 105 120.473 120.473 119.243 1.230 19654 10374 1 14 . 1 1 105 105 VAL HA H 105 3.236 3.236 3.470 -0.234 19654 10375 1 14 . 1 1 105 105 VAL CA C 105 66.348 66.348 66.686 -0.339 19654 10376 1 14 . 1 1 105 105 VAL CB C 105 30.720 30.720 31.002 -0.282 19654 10377 1 14 . 1 1 105 105 VAL H H 105 8.513 8.513 8.230 0.283 19654 10378 1 14 . 1 1 106 106 ALA N N 106 123.948 123.948 123.037 0.911 19654 10379 1 14 . 1 1 106 106 ALA HA H 106 3.660 3.660 3.803 -0.143 19654 10380 1 14 . 1 1 106 106 ALA CA C 106 55.607 55.607 55.517 0.090 19654 10381 1 14 . 1 1 106 106 ALA CB C 106 18.003 18.003 18.009 -0.006 19654 10382 1 14 . 1 1 106 106 ALA H H 106 8.807 8.807 7.888 0.919 19654 10383 1 14 . 1 1 107 107 LYS N N 107 115.836 115.836 118.397 -2.561 19654 10384 1 14 . 1 1 107 107 LYS HA H 107 3.733 3.733 3.839 -0.106 19654 10385 1 14 . 1 1 107 107 LYS CA C 107 60.462 60.462 59.884 0.578 19654 10386 1 14 . 1 1 107 107 LYS CB C 107 31.907 31.907 32.134 -0.227 19654 10387 1 14 . 1 1 107 107 LYS H H 107 7.934 7.934 7.658 0.276 19654 10388 1 14 . 1 1 108 108 HIS N N 108 120.459 120.459 119.045 1.414 19654 10389 1 14 . 1 1 108 108 HIS HA H 108 4.212 4.212 4.253 -0.041 19654 10390 1 14 . 1 1 108 108 HIS CA C 108 59.623 59.623 59.336 0.287 19654 10391 1 14 . 1 1 108 108 HIS CB C 108 29.838 29.838 29.647 0.191 19654 10392 1 14 . 1 1 108 108 HIS H H 108 7.254 7.254 7.331 -0.077 19654 10393 1 14 . 1 1 109 109 LEU N N 109 118.336 118.336 120.279 -1.943 19654 10394 1 14 . 1 1 109 109 LEU HA H 109 3.640 3.640 3.827 -0.187 19654 10395 1 14 . 1 1 109 109 LEU CA C 109 56.945 56.945 57.982 -1.037 19654 10396 1 14 . 1 1 109 109 LEU CB C 109 39.709 39.709 41.653 -1.944 19654 10397 1 14 . 1 1 109 109 LEU H H 109 8.709 8.709 8.564 0.145 19654 10398 1 14 . 1 1 110 110 LYS N N 110 118.036 118.036 119.000 -0.964 19654 10399 1 14 . 1 1 110 110 LYS HA H 110 3.944 3.944 3.910 0.034 19654 10400 1 14 . 1 1 110 110 LYS CA C 110 58.967 58.967 59.629 -0.662 19654 10401 1 14 . 1 1 110 110 LYS CB C 110 32.220 32.220 32.218 0.002 19654 10402 1 14 . 1 1 110 110 LYS H H 110 7.752 7.752 8.172 -0.420 19654 10403 1 14 . 1 1 111 111 THR N N 111 115.985 115.985 116.116 -0.131 19654 10404 1 14 . 1 1 111 111 THR HA H 111 3.990 3.990 4.006 -0.016 19654 10405 1 14 . 1 1 111 111 THR CA C 111 65.921 65.921 66.048 -0.127 19654 10406 1 14 . 1 1 111 111 THR CB C 111 68.611 68.611 68.793 -0.182 19654 10407 1 14 . 1 1 111 111 THR H H 111 7.832 7.832 7.711 0.121 19654 10408 1 14 . 1 1 112 112 ILE N N 112 112.606 112.606 114.477 -1.871 19654 10409 1 14 . 1 1 112 112 ILE HA H 112 4.454 4.454 4.346 0.108 19654 10410 1 14 . 1 1 112 112 ILE CA C 112 60.922 60.922 60.833 0.089 19654 10411 1 14 . 1 1 112 112 ILE CB C 112 36.813 36.813 37.060 -0.247 19654 10412 1 14 . 1 1 112 112 ILE H H 112 7.262 7.262 7.317 -0.055 19654 10413 1 14 . 1 1 113 113 ASN N N 113 116.297 116.297 115.204 1.093 19654 10414 1 14 . 1 1 113 113 ASN HA H 113 4.576 4.576 4.365 0.211 19654 10415 1 14 . 1 1 113 113 ASN CA C 113 54.653 54.653 55.263 -0.610 19654 10416 1 14 . 1 1 113 113 ASN CB C 113 36.497 36.497 37.230 -0.733 19654 10417 1 14 . 1 1 113 113 ASN H H 113 7.816 7.816 7.787 0.029 19654 10418 1 14 . 1 1 114 114 GLN N N 114 117.958 117.958 117.277 0.681 19654 10419 1 14 . 1 1 114 114 GLN HA H 114 4.739 4.739 4.392 0.347 19654 10420 1 14 . 1 1 114 114 GLN CA C 114 54.079 54.079 54.870 -0.791 19654 10421 1 14 . 1 1 114 114 GLN CB C 114 28.840 28.840 26.743 2.097 19654 10422 1 14 . 1 1 114 114 GLN H H 114 8.522 8.522 8.356 0.166 19654 10423 1 14 . 1 1 115 115 GLU N N 115 120.597 120.597 121.174 -0.577 19654 10424 1 14 . 1 1 115 115 GLU HA H 115 3.646 3.646 3.956 -0.310 19654 10425 1 14 . 1 1 115 115 GLU CA C 115 59.569 59.569 59.537 0.032 19654 10426 1 14 . 1 1 115 115 GLU CB C 115 29.061 29.061 29.223 -0.162 19654 10427 1 14 . 1 1 115 115 GLU H H 115 8.881 8.881 7.656 1.225 19654 10428 1 14 . 1 1 116 116 SER N N 116 115.352 115.352 115.470 -0.118 19654 10429 1 14 . 1 1 116 116 SER HA H 116 4.250 4.250 4.161 0.089 19654 10430 1 14 . 1 1 116 116 SER CA C 116 60.593 60.593 60.828 -0.235 19654 10431 1 14 . 1 1 116 116 SER CB C 116 62.231 62.231 63.022 -0.791 19654 10432 1 14 . 1 1 116 116 SER H H 116 8.702 8.702 8.482 0.220 19654 10433 1 14 . 1 1 117 117 SER N N 117 116.944 116.944 118.358 -1.414 19654 10434 1 14 . 1 1 117 117 SER HA H 117 4.461 4.461 4.234 0.227 19654 10435 1 14 . 1 1 117 117 SER CA C 117 60.219 60.219 61.050 -0.831 19654 10436 1 14 . 1 1 117 117 SER CB C 117 64.116 64.116 63.136 0.980 19654 10437 1 14 . 1 1 117 117 SER H H 117 7.963 7.963 7.854 0.109 19654 10438 1 14 . 1 1 118 118 ILE N N 118 122.505 122.505 121.700 0.805 19654 10439 1 14 . 1 1 118 118 ILE HA H 118 3.419 3.419 3.568 -0.149 19654 10440 1 14 . 1 1 118 118 ILE CA C 118 66.227 66.227 65.481 0.746 19654 10441 1 14 . 1 1 118 118 ILE CB C 118 36.723 36.723 37.659 -0.936 19654 10442 1 14 . 1 1 118 118 ILE H H 118 7.945 7.945 7.718 0.227 19654 10443 1 14 . 1 1 119 119 GLU N N 119 119.604 119.604 119.413 0.191 19654 10444 1 14 . 1 1 119 119 GLU HA H 119 4.244 4.244 4.147 0.097 19654 10445 1 14 . 1 1 119 119 GLU CA C 119 61.540 61.540 61.118 0.422 19654 10446 1 14 . 1 1 119 119 GLU CB C 119 26.092 26.092 27.735 -1.643 19654 10447 1 14 . 1 1 119 119 GLU H H 119 8.244 8.244 7.872 0.372 19654 10448 1 14 . 1 1 120 120 PRO HA H 120 4.446 4.446 4.549 -0.103 19654 10449 1 14 . 1 1 120 120 PRO CA C 120 65.583 65.583 65.179 0.404 19654 10450 1 14 . 1 1 120 120 PRO CB C 120 30.167 30.167 31.642 -1.475 19654 10451 1 14 . 1 1 121 121 LEU N N 121 120.974 120.974 120.426 0.548 19654 10452 1 14 . 1 1 121 121 LEU HA H 121 3.990 3.990 4.080 -0.090 19654 10453 1 14 . 1 1 121 121 LEU CA C 121 58.436 58.436 57.541 0.895 19654 10454 1 14 . 1 1 121 121 LEU CB C 121 40.988 40.988 41.801 -0.813 19654 10455 1 14 . 1 1 121 121 LEU H H 121 7.587 7.587 8.188 -0.601 19654 10456 1 14 . 1 1 122 122 ALA N N 122 121.982 121.982 120.848 1.134 19654 10457 1 14 . 1 1 122 122 ALA HA H 122 3.743 3.743 3.913 -0.170 19654 10458 1 14 . 1 1 122 122 ALA CA C 122 55.233 55.233 55.217 0.016 19654 10459 1 14 . 1 1 122 122 ALA CB C 122 17.687 17.687 18.183 -0.496 19654 10460 1 14 . 1 1 122 122 ALA H H 122 8.593 8.593 8.290 0.303 19654 10461 1 14 . 1 1 123 123 GLU N N 123 120.516 120.516 117.859 2.657 19654 10462 1 14 . 1 1 123 123 GLU HA H 123 3.862 3.862 4.023 -0.161 19654 10463 1 14 . 1 1 123 123 GLU CA C 123 59.995 59.995 59.285 0.710 19654 10464 1 14 . 1 1 123 123 GLU CB C 123 29.298 29.298 29.753 -0.455 19654 10465 1 14 . 1 1 123 123 GLU H H 123 8.568 8.568 7.804 0.764 19654 10466 1 14 . 1 1 124 124 SER N N 124 116.054 116.054 116.064 -0.010 19654 10467 1 14 . 1 1 124 124 SER HA H 124 4.367 4.367 4.282 0.085 19654 10468 1 14 . 1 1 124 124 SER CA C 124 62.240 62.240 62.207 0.033 19654 10469 1 14 . 1 1 124 124 SER CB C 124 63.074 63.074 62.825 0.249 19654 10470 1 14 . 1 1 124 124 SER H H 124 8.282 8.282 8.123 0.159 19654 10471 1 14 . 1 1 125 125 ILE N N 125 120.575 120.575 123.097 -2.522 19654 10472 1 14 . 1 1 125 125 ILE HA H 125 3.627 3.627 3.816 -0.189 19654 10473 1 14 . 1 1 125 125 ILE CA C 125 64.655 64.655 64.169 0.486 19654 10474 1 14 . 1 1 125 125 ILE CB C 125 37.413 37.413 36.632 0.781 19654 10475 1 14 . 1 1 125 125 ILE H H 125 8.343 8.343 8.051 0.292 19654 10476 1 14 . 1 1 126 126 THR N N 126 116.459 116.459 115.676 0.783 19654 10477 1 14 . 1 1 126 126 THR HA H 126 3.482 3.482 3.950 -0.468 19654 10478 1 14 . 1 1 126 126 THR CA C 126 68.679 68.679 67.180 1.498 19654 10479 1 14 . 1 1 126 126 THR CB C 126 67.075 67.075 68.009 -0.934 19654 10480 1 14 . 1 1 126 126 THR H H 126 8.056 8.056 7.641 0.415 19654 10481 1 14 . 1 1 127 127 ASP N N 127 120.236 120.236 122.363 -2.127 19654 10482 1 14 . 1 1 127 127 ASP HA H 127 4.481 4.481 4.693 -0.212 19654 10483 1 14 . 1 1 127 127 ASP CA C 127 58.322 58.322 57.844 0.478 19654 10484 1 14 . 1 1 127 127 ASP CB C 127 41.822 41.822 41.078 0.744 19654 10485 1 14 . 1 1 127 127 ASP H H 127 8.813 8.813 8.139 0.674 19654 10486 1 14 . 1 1 128 128 VAL N N 128 116.904 116.904 119.325 -2.421 19654 10487 1 14 . 1 1 128 128 VAL HA H 128 3.677 3.677 3.702 -0.025 19654 10488 1 14 . 1 1 128 128 VAL CA C 128 66.346 66.346 66.488 -0.142 19654 10489 1 14 . 1 1 128 128 VAL CB C 128 31.351 31.351 31.990 -0.639 19654 10490 1 14 . 1 1 128 128 VAL H H 128 7.949 7.949 8.135 -0.186 19654 10491 1 14 . 1 1 129 129 LEU N N 129 121.043 121.043 121.041 0.002 19654 10492 1 14 . 1 1 129 129 LEU HA H 129 3.819 3.819 3.915 -0.096 19654 10493 1 14 . 1 1 129 129 LEU CA C 129 58.742 58.742 58.260 0.482 19654 10494 1 14 . 1 1 129 129 LEU CB C 129 42.370 42.370 41.868 0.502 19654 10495 1 14 . 1 1 129 129 LEU H H 129 8.198 8.198 7.700 0.498 19654 10496 1 14 . 1 1 130 130 VAL N N 130 114.370 114.370 116.681 -2.311 19654 10497 1 14 . 1 1 130 130 VAL HA H 130 3.525 3.525 3.765 -0.240 19654 10498 1 14 . 1 1 130 130 VAL CA C 130 66.004 66.004 65.496 0.508 19654 10499 1 14 . 1 1 130 130 VAL CB C 130 31.320 31.320 30.891 0.429 19654 10500 1 14 . 1 1 130 130 VAL H H 130 8.858 8.858 8.438 0.420 19654 10501 1 14 . 1 1 131 131 ARG N N 131 115.890 115.890 120.264 -4.374 19654 10502 1 14 . 1 1 131 131 ARG HA H 131 4.284 4.284 4.153 0.131 19654 10503 1 14 . 1 1 131 131 ARG CA C 131 59.255 59.255 59.104 0.151 19654 10504 1 14 . 1 1 131 131 ARG CB C 131 30.009 30.009 30.243 -0.234 19654 10505 1 14 . 1 1 131 131 ARG H H 131 8.619 8.619 8.203 0.416 19654 10506 1 14 . 1 1 132 132 THR N N 132 106.654 106.654 109.951 -3.297 19654 10507 1 14 . 1 1 132 132 THR HA H 132 4.464 4.464 4.388 0.076 19654 10508 1 14 . 1 1 132 132 THR CA C 132 64.081 64.081 63.670 0.411 19654 10509 1 14 . 1 1 132 132 THR CB C 132 69.870 69.870 69.937 -0.067 19654 10510 1 14 . 1 1 132 132 THR H H 132 7.530 7.530 7.618 -0.088 19654 10511 1 14 . 1 1 133 133 LYS N N 133 117.426 117.426 120.642 -3.216 19654 10512 1 14 . 1 1 133 133 LYS HA H 133 5.029 5.029 4.836 0.193 19654 10513 1 14 . 1 1 133 133 LYS CA C 133 53.009 53.009 54.713 -1.704 19654 10514 1 14 . 1 1 133 133 LYS CB C 133 31.044 31.044 31.943 -0.899 19654 10515 1 14 . 1 1 133 133 LYS H H 133 7.691 7.691 8.149 -0.458 19654 10516 1 14 . 1 1 134 134 ARG N N 134 120.904 120.904 121.615 -0.711 19654 10517 1 14 . 1 1 134 134 ARG HA H 134 3.679 3.679 3.894 -0.215 19654 10518 1 14 . 1 1 134 134 ARG CA C 134 61.456 61.456 61.036 0.420 19654 10519 1 14 . 1 1 134 134 ARG CB C 134 30.261 30.261 30.201 0.060 19654 10520 1 14 . 1 1 134 134 ARG H H 134 7.341 7.341 7.857 -0.516 19654 10521 1 14 . 1 1 135 135 ASP N N 135 114.262 114.262 118.335 -4.073 19654 10522 1 14 . 1 1 135 135 ASP HA H 135 4.238 4.238 4.348 -0.110 19654 10523 1 14 . 1 1 135 135 ASP CA C 135 57.595 57.595 57.671 -0.076 19654 10524 1 14 . 1 1 135 135 ASP CB C 135 39.961 39.961 39.999 -0.038 19654 10525 1 14 . 1 1 135 135 ASP H H 135 8.386 8.386 8.807 -0.421 19654 10526 1 14 . 1 1 136 136 TRP N N 136 121.564 121.564 119.156 2.408 19654 10527 1 14 . 1 1 136 136 TRP HA H 136 3.858 3.858 4.389 -0.531 19654 10528 1 14 . 1 1 136 136 TRP CA C 136 62.373 62.373 60.219 2.154 19654 10529 1 14 . 1 1 136 136 TRP CB C 136 28.807 28.807 29.333 -0.526 19654 10530 1 14 . 1 1 136 136 TRP H H 136 7.844 7.844 7.918 -0.074 19654 10531 1 14 . 1 1 137 137 LEU N N 137 117.395 117.395 119.544 -2.149 19654 10532 1 14 . 1 1 137 137 LEU HA H 137 3.461 3.461 3.840 -0.379 19654 10533 1 14 . 1 1 137 137 LEU CA C 137 58.325 58.325 58.123 0.202 19654 10534 1 14 . 1 1 137 137 LEU CB C 137 42.979 42.979 41.537 1.442 19654 10535 1 14 . 1 1 137 137 LEU H H 137 8.623 8.623 8.397 0.226 19654 10536 1 14 . 1 1 138 138 VAL N N 138 118.341 118.341 118.246 0.095 19654 10537 1 14 . 1 1 138 138 VAL HA H 138 3.586 3.586 3.822 -0.236 19654 10538 1 14 . 1 1 138 138 VAL CA C 138 66.501 66.501 65.527 0.974 19654 10539 1 14 . 1 1 138 138 VAL CB C 138 31.588 31.588 32.099 -0.511 19654 10540 1 14 . 1 1 138 138 VAL H H 138 8.631 8.631 7.699 0.932 19654 10541 1 14 . 1 1 139 139 LYS N N 139 122.096 122.096 119.744 2.352 19654 10542 1 14 . 1 1 139 139 LYS HA H 139 3.941 3.941 4.135 -0.194 19654 10543 1 14 . 1 1 139 139 LYS CA C 139 58.925 58.925 58.464 0.461 19654 10544 1 14 . 1 1 139 139 LYS CB C 139 31.752 31.752 32.296 -0.544 19654 10545 1 14 . 1 1 139 139 LYS H H 139 7.695 7.695 8.314 -0.619 19654 10546 1 14 . 1 1 140 140 GLN N N 140 115.416 115.416 115.659 -0.243 19654 10547 1 14 . 1 1 140 140 GLN HA H 140 3.970 3.970 4.414 -0.444 19654 10548 1 14 . 1 1 140 140 GLN CA C 140 54.309 54.309 55.399 -1.090 19654 10549 1 14 . 1 1 140 140 GLN CB C 140 27.174 27.174 29.691 -2.517 19654 10550 1 14 . 1 1 140 140 GLN H H 140 7.344 7.344 7.900 -0.556 19654 10551 1 14 . 1 1 141 141 ARG N N 141 110.160 110.160 116.842 -6.682 19654 10552 1 14 . 1 1 141 141 ARG HA H 141 3.899 3.899 4.082 -0.183 19654 10553 1 14 . 1 1 141 141 ARG CA C 141 57.400 57.400 56.395 1.005 19654 10554 1 14 . 1 1 141 141 ARG CB C 141 25.640 25.640 27.578 -1.938 19654 10555 1 14 . 1 1 141 141 ARG H H 141 7.677 7.677 7.470 0.207 19654 10556 1 14 . 1 1 142 142 GLY N N 142 107.741 107.741 109.251 -1.510 19654 10557 1 14 . 1 1 142 142 GLY CA C 142 45.633 45.633 45.927 -0.294 19654 10558 1 14 . 1 1 142 142 GLY H H 142 8.931 8.931 8.372 0.559 19654 10559 1 14 . 1 1 143 143 TRP N N 143 123.871 123.871 120.586 3.285 19654 10560 1 14 . 1 1 143 143 TRP HA H 143 4.273 4.273 4.381 -0.108 19654 10561 1 14 . 1 1 143 143 TRP CA C 143 59.317 59.317 60.231 -0.914 19654 10562 1 14 . 1 1 143 143 TRP CB C 143 28.435 28.435 29.163 -0.728 19654 10563 1 14 . 1 1 143 143 TRP H H 143 9.004 9.004 7.634 1.370 19654 10564 1 14 . 1 1 144 144 ASP N N 144 119.481 119.481 118.750 0.731 19654 10565 1 14 . 1 1 144 144 ASP HA H 144 4.553 4.553 4.394 0.159 19654 10566 1 14 . 1 1 144 144 ASP CA C 144 57.825 57.825 58.256 -0.431 19654 10567 1 14 . 1 1 144 144 ASP CB C 144 40.435 40.435 40.316 0.118 19654 10568 1 14 . 1 1 144 144 ASP H H 144 8.071 8.071 8.280 -0.209 19654 10569 1 14 . 1 1 145 145 GLY N N 145 109.653 109.653 108.238 1.415 19654 10570 1 14 . 1 1 145 145 GLY CA C 145 46.856 46.856 47.081 -0.225 19654 10571 1 14 . 1 1 145 145 GLY H H 145 7.493 7.493 8.281 -0.788 19654 10572 1 14 . 1 1 146 146 PHE N N 146 124.053 124.053 122.567 1.486 19654 10573 1 14 . 1 1 146 146 PHE HA H 146 2.455 2.455 4.169 -1.714 19654 10574 1 14 . 1 1 146 146 PHE CA C 146 60.349 60.349 60.379 -0.030 19654 10575 1 14 . 1 1 146 146 PHE CB C 146 38.607 38.607 39.130 -0.523 19654 10576 1 14 . 1 1 146 146 PHE H H 146 7.257 7.257 7.855 -0.598 19654 10577 1 14 . 1 1 147 147 VAL N N 147 116.525 116.525 119.050 -2.525 19654 10578 1 14 . 1 1 147 147 VAL HA H 147 3.298 3.298 3.133 0.165 19654 10579 1 14 . 1 1 147 147 VAL CA C 147 66.080 66.080 66.140 -0.060 19654 10580 1 14 . 1 1 147 147 VAL CB C 147 31.904 31.904 31.618 0.286 19654 10581 1 14 . 1 1 147 147 VAL H H 147 7.700 7.700 7.463 0.237 19654 10582 1 14 . 1 1 148 148 GLU N N 148 118.404 118.404 118.368 0.036 19654 10583 1 14 . 1 1 148 148 GLU HA H 148 3.985 3.985 4.074 -0.089 19654 10584 1 14 . 1 1 148 148 GLU CA C 148 58.933 58.933 58.559 0.374 19654 10585 1 14 . 1 1 148 148 GLU CB C 148 29.535 29.535 29.535 -0.000 19654 10586 1 14 . 1 1 148 148 GLU H H 148 7.801 7.801 8.116 -0.315 19654 10587 1 14 . 1 1 149 149 PHE N N 149 120.305 120.305 121.297 -0.992 19654 10588 1 14 . 1 1 149 149 PHE HA H 149 3.970 3.970 4.450 -0.480 19654 10589 1 14 . 1 1 149 149 PHE CA C 149 61.341 61.341 61.039 0.302 19654 10590 1 14 . 1 1 149 149 PHE CB C 149 39.011 39.011 39.411 -0.400 19654 10591 1 14 . 1 1 149 149 PHE H H 149 8.358 8.358 7.954 0.404 19654 10592 1 14 . 1 1 150 150 PHE N N 150 112.582 112.582 114.663 -2.081 19654 10593 1 14 . 1 1 150 150 PHE HA H 150 4.255 4.255 4.283 -0.028 19654 10594 1 14 . 1 1 150 150 PHE CA C 150 59.075 59.075 58.769 0.306 19654 10595 1 14 . 1 1 150 150 PHE CB C 150 39.487 39.487 39.112 0.375 19654 10596 1 14 . 1 1 150 150 PHE H H 150 6.927 6.927 7.547 -0.620 19654 10597 1 14 . 1 1 151 151 HIS N N 151 118.966 118.966 118.124 0.842 19654 10598 1 14 . 1 1 151 151 HIS HA H 151 4.370 4.370 4.338 0.032 19654 10599 1 14 . 1 1 151 151 HIS CA C 151 56.788 56.788 56.628 0.160 19654 10600 1 14 . 1 1 151 151 HIS CB C 151 28.827 28.827 27.655 1.171 19654 10601 1 14 . 1 1 151 151 HIS H H 151 7.483 7.483 7.657 -0.174 19654 10602 1 14 . 1 1 152 152 VAL N N 152 120.499 120.499 121.733 -1.234 19654 10603 1 14 . 1 1 152 152 VAL HA H 152 3.950 3.950 4.239 -0.289 19654 10604 1 14 . 1 1 152 152 VAL CA C 152 62.110 62.110 63.857 -1.747 19654 10605 1 14 . 1 1 152 152 VAL CB C 152 32.593 32.593 33.758 -1.165 19654 10606 1 14 . 1 1 152 152 VAL H H 152 8.103 8.103 7.562 0.541 19654 10607 1 14 . 1 1 153 153 GLU N N 153 123.580 123.580 119.944 3.636 19654 10608 1 14 . 1 1 153 153 GLU HA H 153 4.162 4.162 4.530 -0.368 19654 10609 1 14 . 1 1 153 153 GLU CA C 153 56.433 56.433 55.315 1.118 19654 10610 1 14 . 1 1 153 153 GLU CB C 153 30.101 30.101 29.298 0.803 19654 10611 1 14 . 1 1 153 153 GLU H H 153 8.446 8.446 8.442 0.004 19654 10612 1 14 . 1 1 154 154 ASP N N 154 120.964 120.964 118.699 2.265 19654 10613 1 14 . 1 1 154 154 ASP HA H 154 4.565 4.565 4.690 -0.125 19654 10614 1 14 . 1 1 154 154 ASP CA C 154 54.106 54.106 53.238 0.868 19654 10615 1 14 . 1 1 154 154 ASP CB C 154 40.836 40.836 41.615 -0.779 19654 10616 1 14 . 1 1 154 154 ASP H H 154 8.325 8.325 8.002 0.323 19654 10617 1 14 . 1 1 155 155 LEU N N 155 122.311 122.311 118.543 3.768 19654 10618 1 14 . 1 1 155 155 LEU HA H 155 4.230 4.230 4.679 -0.449 19654 10619 1 14 . 1 1 155 155 LEU CA C 155 55.340 55.340 54.558 0.782 19654 10620 1 14 . 1 1 155 155 LEU CB C 155 42.094 42.094 42.140 -0.046 19654 10621 1 14 . 1 1 155 155 LEU H H 155 8.210 8.210 8.459 -0.249 19654 10622 1 14 . 1 1 156 156 GLU N N 156 120.023 120.023 118.392 1.631 19654 10623 1 14 . 1 1 156 156 GLU HA H 156 4.218 4.218 3.475 0.743 19654 10624 1 14 . 1 1 156 156 GLU CA C 156 56.831 56.831 58.032 -1.201 19654 10625 1 14 . 1 1 156 156 GLU CB C 156 29.930 29.930 27.694 2.236 19654 10626 1 14 . 1 1 156 156 GLU H H 156 8.396 8.396 8.900 -0.504 19654 10627 1 14 . 1 1 157 157 GLY N N 157 109.371 109.371 109.549 -0.178 19654 10628 1 14 . 1 1 157 157 GLY CA C 157 45.327 45.327 46.143 -0.816 19654 10629 1 14 . 1 1 157 157 GLY H H 157 8.323 8.323 8.133 0.190 19654 10630 1 14 . 1 1 158 158 GLY N N 158 108.074 108.074 108.382 -0.308 19654 10631 1 14 . 1 1 158 158 GLY CA C 158 45.061 45.061 46.390 -1.329 19654 10632 1 14 . 1 1 158 158 GLY H H 158 8.226 8.226 8.713 -0.487 19654 10633 1 14 . 1 1 159 159 HIS N N 159 117.875 117.875 120.070 -2.195 19654 10634 1 14 . 1 1 159 159 HIS HA H 159 4.551 4.551 4.508 0.043 19654 10635 1 14 . 1 1 159 159 HIS CA C 159 55.600 55.600 55.615 -0.015 19654 10636 1 14 . 1 1 159 159 HIS CB C 159 29.800 29.800 29.740 0.060 19654 10637 1 14 . 1 1 159 159 HIS H H 159 8.210 8.210 7.829 0.382 19654 10638 1 14 . 1 1 161 161 HIS N N 161 125.094 125.094 126.500 -1.406 19654 10639 1 14 . 1 1 161 161 HIS HA H 161 4.585 4.585 4.584 0.001 19654 10640 1 14 . 1 1 161 161 HIS H H 161 8.162 8.162 8.697 -0.535 19654 10641 1 15 . 1 1 2 2 GLU HA H 2 4.333 4.333 4.611 -0.278 19654 10642 1 15 . 1 1 2 2 GLU CA C 2 56.183 56.183 55.398 0.785 19654 10643 1 15 . 1 1 2 2 GLU CB C 2 30.150 30.150 31.030 -0.880 19654 10644 1 15 . 1 1 3 3 ASP N N 3 122.553 122.553 121.275 1.278 19654 10645 1 15 . 1 1 3 3 ASP HA H 3 4.729 4.729 4.799 -0.070 19654 10646 1 15 . 1 1 3 3 ASP CA C 3 53.659 53.659 53.724 -0.065 19654 10647 1 15 . 1 1 3 3 ASP CB C 3 41.319 41.319 42.352 -1.033 19654 10648 1 15 . 1 1 3 3 ASP H H 3 8.437 8.437 8.524 -0.087 19654 10649 1 15 . 1 1 4 4 GLU N N 4 125.121 125.121 122.458 2.663 19654 10650 1 15 . 1 1 4 4 GLU HA H 4 4.235 4.235 4.058 0.177 19654 10651 1 15 . 1 1 4 4 GLU CA C 4 58.915 58.915 59.498 -0.583 19654 10652 1 15 . 1 1 4 4 GLU CB C 4 29.274 29.274 29.852 -0.578 19654 10653 1 15 . 1 1 4 4 GLU H H 4 8.726 8.726 8.815 -0.089 19654 10654 1 15 . 1 1 5 5 LEU N N 5 120.976 120.976 119.734 1.242 19654 10655 1 15 . 1 1 5 5 LEU HA H 5 4.517 4.517 4.235 0.282 19654 10656 1 15 . 1 1 5 5 LEU CA C 5 57.939 57.939 57.850 0.089 19654 10657 1 15 . 1 1 5 5 LEU CB C 5 40.917 40.917 41.629 -0.712 19654 10658 1 15 . 1 1 5 5 LEU H H 5 8.381 8.381 8.273 0.108 19654 10659 1 15 . 1 1 6 6 TYR N N 6 123.977 123.977 119.235 4.742 19654 10660 1 15 . 1 1 6 6 TYR HA H 6 3.865 3.865 4.375 -0.510 19654 10661 1 15 . 1 1 6 6 TYR CA C 6 62.721 62.721 61.367 1.354 19654 10662 1 15 . 1 1 6 6 TYR CB C 6 38.475 38.475 38.417 0.058 19654 10663 1 15 . 1 1 6 6 TYR H H 6 8.342 8.342 7.508 0.834 19654 10664 1 15 . 1 1 7 7 ARG N N 7 118.301 118.301 118.186 0.115 19654 10665 1 15 . 1 1 7 7 ARG HA H 7 3.828 3.828 4.013 -0.185 19654 10666 1 15 . 1 1 7 7 ARG CA C 7 59.619 59.619 58.180 1.439 19654 10667 1 15 . 1 1 7 7 ARG CB C 7 29.720 29.720 29.237 0.483 19654 10668 1 15 . 1 1 7 7 ARG H H 7 8.452 8.452 8.095 0.357 19654 10669 1 15 . 1 1 8 8 GLN N N 8 119.421 119.421 119.813 -0.392 19654 10670 1 15 . 1 1 8 8 GLN HA H 8 3.944 3.944 4.014 -0.070 19654 10671 1 15 . 1 1 8 8 GLN CA C 8 58.827 58.827 59.282 -0.456 19654 10672 1 15 . 1 1 8 8 GLN CB C 8 28.918 28.918 28.761 0.157 19654 10673 1 15 . 1 1 8 8 GLN H H 8 8.894 8.894 8.676 0.218 19654 10674 1 15 . 1 1 9 9 SER N N 9 113.384 113.384 116.275 -2.891 19654 10675 1 15 . 1 1 9 9 SER HA H 9 4.007 4.007 3.787 0.220 19654 10676 1 15 . 1 1 9 9 SER CA C 9 62.117 62.117 61.644 0.473 19654 10677 1 15 . 1 1 9 9 SER CB C 9 63.544 63.544 63.154 0.390 19654 10678 1 15 . 1 1 9 9 SER H H 9 8.018 8.018 8.288 -0.270 19654 10679 1 15 . 1 1 10 10 LEU N N 10 121.112 121.112 124.140 -3.028 19654 10680 1 15 . 1 1 10 10 LEU HA H 10 4.130 4.130 4.079 0.051 19654 10681 1 15 . 1 1 10 10 LEU CA C 10 57.022 57.022 57.596 -0.574 19654 10682 1 15 . 1 1 10 10 LEU CB C 10 41.146 41.146 41.411 -0.265 19654 10683 1 15 . 1 1 10 10 LEU H H 10 8.599 8.599 8.079 0.519 19654 10684 1 15 . 1 1 11 11 GLU N N 11 120.653 120.653 119.641 1.012 19654 10685 1 15 . 1 1 11 11 GLU HA H 11 3.914 3.914 3.953 -0.039 19654 10686 1 15 . 1 1 11 11 GLU CA C 11 59.627 59.627 59.285 0.342 19654 10687 1 15 . 1 1 11 11 GLU CB C 11 29.298 29.298 29.216 0.082 19654 10688 1 15 . 1 1 11 11 GLU H H 11 7.806 7.806 8.057 -0.251 19654 10689 1 15 . 1 1 12 12 ILE N N 12 117.297 117.297 119.514 -2.217 19654 10690 1 15 . 1 1 12 12 ILE HA H 12 3.121 3.121 3.549 -0.428 19654 10691 1 15 . 1 1 12 12 ILE CA C 12 65.774 65.774 65.554 0.220 19654 10692 1 15 . 1 1 12 12 ILE CB C 12 39.143 39.143 37.676 1.467 19654 10693 1 15 . 1 1 12 12 ILE H H 12 7.401 7.401 7.837 -0.436 19654 10694 1 15 . 1 1 13 13 ILE N N 13 117.560 117.560 118.904 -1.344 19654 10695 1 15 . 1 1 13 13 ILE HA H 13 3.302 3.302 3.528 -0.226 19654 10696 1 15 . 1 1 13 13 ILE CA C 13 66.420 66.420 65.701 0.719 19654 10697 1 15 . 1 1 13 13 ILE CB C 13 37.714 37.714 37.426 0.288 19654 10698 1 15 . 1 1 13 13 ILE H H 13 8.378 8.378 8.143 0.235 19654 10699 1 15 . 1 1 14 14 SER N N 14 113.892 113.892 116.346 -2.454 19654 10700 1 15 . 1 1 14 14 SER HA H 14 3.889 3.889 3.981 -0.092 19654 10701 1 15 . 1 1 14 14 SER CA C 14 62.310 62.310 61.984 0.326 19654 10702 1 15 . 1 1 14 14 SER CB C 14 62.282 62.282 63.020 -0.738 19654 10703 1 15 . 1 1 14 14 SER H H 14 9.048 9.048 8.356 0.692 19654 10704 1 15 . 1 1 15 15 ARG N N 15 118.890 118.890 120.063 -1.173 19654 10705 1 15 . 1 1 15 15 ARG HA H 15 4.033 4.033 4.043 -0.010 19654 10706 1 15 . 1 1 15 15 ARG CA C 15 59.496 59.496 59.123 0.372 19654 10707 1 15 . 1 1 15 15 ARG CB C 15 29.727 29.727 30.016 -0.289 19654 10708 1 15 . 1 1 15 15 ARG H H 15 7.655 7.655 7.714 -0.059 19654 10709 1 15 . 1 1 16 16 TYR N N 16 119.757 119.757 122.359 -2.602 19654 10710 1 15 . 1 1 16 16 TYR HA H 16 4.146 4.146 4.299 -0.153 19654 10711 1 15 . 1 1 16 16 TYR CA C 16 61.265 61.265 61.364 -0.099 19654 10712 1 15 . 1 1 16 16 TYR CB C 16 38.495 38.495 38.195 0.300 19654 10713 1 15 . 1 1 16 16 TYR H H 16 8.351 8.351 8.254 0.097 19654 10714 1 15 . 1 1 17 17 LEU N N 17 118.494 118.494 118.738 -0.244 19654 10715 1 15 . 1 1 17 17 LEU HA H 17 3.375 3.375 3.680 -0.305 19654 10716 1 15 . 1 1 17 17 LEU CA C 17 59.627 59.627 58.286 1.341 19654 10717 1 15 . 1 1 17 17 LEU CB C 17 39.949 39.949 41.117 -1.168 19654 10718 1 15 . 1 1 17 17 LEU H H 17 8.578 8.578 8.528 0.050 19654 10719 1 15 . 1 1 18 18 ARG N N 18 115.962 115.962 118.981 -3.019 19654 10720 1 15 . 1 1 18 18 ARG HA H 18 3.858 3.858 3.925 -0.067 19654 10721 1 15 . 1 1 18 18 ARG CA C 18 60.233 60.233 58.458 1.775 19654 10722 1 15 . 1 1 18 18 ARG CB C 18 29.993 29.993 29.409 0.584 19654 10723 1 15 . 1 1 18 18 ARG H H 18 8.044 8.044 7.789 0.255 19654 10724 1 15 . 1 1 19 19 GLU N N 19 120.998 120.998 119.771 1.227 19654 10725 1 15 . 1 1 19 19 GLU HA H 19 4.153 4.153 4.181 -0.028 19654 10726 1 15 . 1 1 19 19 GLU CA C 19 58.857 58.857 58.936 -0.079 19654 10727 1 15 . 1 1 19 19 GLU CB C 19 29.661 29.661 28.819 0.842 19654 10728 1 15 . 1 1 19 19 GLU H H 19 8.268 8.268 8.544 -0.276 19654 10729 1 15 . 1 1 20 20 GLN N N 20 119.903 119.903 118.100 1.803 19654 10730 1 15 . 1 1 20 20 GLN HA H 20 3.715 3.715 3.971 -0.256 19654 10731 1 15 . 1 1 20 20 GLN CA C 20 58.008 58.008 57.539 0.469 19654 10732 1 15 . 1 1 20 20 GLN CB C 20 28.666 28.666 28.044 0.622 19654 10733 1 15 . 1 1 20 20 GLN H H 20 8.193 8.193 7.838 0.355 19654 10734 1 15 . 1 1 21 21 ALA N N 21 117.771 117.771 119.585 -1.814 19654 10735 1 15 . 1 1 21 21 ALA HA H 21 3.985 3.985 4.086 -0.101 19654 10736 1 15 . 1 1 21 21 ALA CA C 21 54.397 54.397 54.332 0.065 19654 10737 1 15 . 1 1 21 21 ALA CB C 21 20.022 20.022 18.962 1.060 19654 10738 1 15 . 1 1 21 21 ALA H H 21 7.883 7.883 7.536 0.347 19654 10739 1 15 . 1 1 22 22 THR N N 22 103.721 103.721 109.629 -5.908 19654 10740 1 15 . 1 1 22 22 THR HA H 22 4.279 4.279 4.176 0.103 19654 10741 1 15 . 1 1 22 22 THR CA C 22 62.357 62.357 63.498 -1.141 19654 10742 1 15 . 1 1 22 22 THR CB C 22 71.071 71.071 70.322 0.749 19654 10743 1 15 . 1 1 22 22 THR H H 22 8.024 8.024 8.092 -0.068 19654 10744 1 15 . 1 1 23 23 GLY N N 23 111.610 111.610 110.569 1.041 19654 10745 1 15 . 1 1 23 23 GLY CA C 23 45.574 45.574 44.932 0.642 19654 10746 1 15 . 1 1 23 23 GLY H H 23 8.155 8.155 8.001 0.154 19654 10747 1 15 . 1 1 24 24 ALA N N 24 123.004 123.004 121.037 1.967 19654 10748 1 15 . 1 1 24 24 ALA HA H 24 4.526 4.526 4.548 -0.022 19654 10749 1 15 . 1 1 24 24 ALA CA C 24 50.763 50.763 51.244 -0.481 19654 10750 1 15 . 1 1 24 24 ALA CB C 24 20.186 20.186 21.376 -1.190 19654 10751 1 15 . 1 1 24 24 ALA H H 24 7.763 7.763 7.569 0.194 19654 10752 1 15 . 1 1 25 25 LYS N N 25 121.392 121.392 120.949 0.443 19654 10753 1 15 . 1 1 25 25 LYS HA H 25 4.181 4.181 4.341 -0.160 19654 10754 1 15 . 1 1 25 25 LYS CA C 25 55.729 55.729 55.970 -0.241 19654 10755 1 15 . 1 1 25 25 LYS CB C 25 33.175 33.175 32.815 0.360 19654 10756 1 15 . 1 1 25 25 LYS H H 25 8.349 8.349 8.200 0.149 19654 10757 1 15 . 1 1 26 26 ASP N N 26 124.433 124.433 122.162 2.271 19654 10758 1 15 . 1 1 26 26 ASP HA H 26 4.618 4.618 4.543 0.075 19654 10759 1 15 . 1 1 26 26 ASP CA C 26 53.735 53.735 54.654 -0.919 19654 10760 1 15 . 1 1 26 26 ASP CB C 26 41.402 41.402 40.996 0.406 19654 10761 1 15 . 1 1 26 26 ASP H H 26 8.803 8.803 8.522 0.281 19654 10762 1 15 . 1 1 27 27 THR N N 27 116.332 116.332 112.909 3.423 19654 10763 1 15 . 1 1 27 27 THR HA H 27 4.249 4.249 4.389 -0.140 19654 10764 1 15 . 1 1 27 27 THR CA C 27 61.268 61.268 61.873 -0.605 19654 10765 1 15 . 1 1 27 27 THR CB C 27 68.993 68.993 69.190 -0.197 19654 10766 1 15 . 1 1 27 27 THR H H 27 8.363 8.363 8.064 0.299 19654 10767 1 15 . 1 1 28 28 LYS N N 28 125.551 125.551 122.117 3.434 19654 10768 1 15 . 1 1 28 28 LYS HA H 28 4.437 4.437 4.660 -0.223 19654 10769 1 15 . 1 1 28 28 LYS CA C 28 55.188 55.188 53.550 1.638 19654 10770 1 15 . 1 1 28 28 LYS CB C 28 31.409 31.409 33.372 -1.963 19654 10771 1 15 . 1 1 28 28 LYS H H 28 8.346 8.346 7.622 0.724 19654 10772 1 15 . 1 1 29 29 PRO HA H 29 4.392 4.392 4.481 -0.089 19654 10773 1 15 . 1 1 29 29 PRO CA C 29 63.164 63.164 62.565 0.599 19654 10774 1 15 . 1 1 29 29 PRO CB C 29 31.904 31.904 32.441 -0.537 19654 10775 1 15 . 1 1 30 30 MET N N 30 121.136 121.136 118.293 2.843 19654 10776 1 15 . 1 1 30 30 MET HA H 30 4.381 4.381 4.688 -0.307 19654 10777 1 15 . 1 1 30 30 MET CA C 30 55.229 55.229 54.047 1.182 19654 10778 1 15 . 1 1 30 30 MET CB C 30 33.819 33.819 33.066 0.753 19654 10779 1 15 . 1 1 30 30 MET H H 30 8.585 8.585 8.229 0.356 19654 10780 1 15 . 1 1 31 31 GLY N N 31 109.849 109.849 105.439 4.410 19654 10781 1 15 . 1 1 31 31 GLY CA C 31 44.983 44.983 44.299 0.684 19654 10782 1 15 . 1 1 31 31 GLY H H 31 8.930 8.930 8.420 0.510 19654 10783 1 15 . 1 1 32 32 ARG N N 32 121.001 121.001 119.176 1.825 19654 10784 1 15 . 1 1 32 32 ARG HA H 32 4.239 4.239 4.063 0.176 19654 10785 1 15 . 1 1 32 32 ARG CA C 32 56.755 56.755 58.362 -1.607 19654 10786 1 15 . 1 1 32 32 ARG CB C 32 30.110 30.110 30.172 -0.062 19654 10787 1 15 . 1 1 32 32 ARG H H 32 8.447 8.447 8.780 -0.333 19654 10788 1 15 . 1 1 33 33 SER N N 33 119.991 119.991 113.412 6.579 19654 10789 1 15 . 1 1 33 33 SER HA H 33 4.386 4.386 4.482 -0.096 19654 10790 1 15 . 1 1 33 33 SER CA C 33 58.502 58.502 57.985 0.517 19654 10791 1 15 . 1 1 33 33 SER CB C 33 62.609 62.609 63.039 -0.430 19654 10792 1 15 . 1 1 33 33 SER H H 33 8.667 8.667 7.830 0.837 19654 10793 1 15 . 1 1 34 34 GLY N N 34 108.582 108.582 109.788 -1.206 19654 10794 1 15 . 1 1 34 34 GLY CA C 34 46.637 46.637 47.023 -0.386 19654 10795 1 15 . 1 1 34 34 GLY H H 34 8.216 8.216 8.005 0.211 19654 10796 1 15 . 1 1 35 35 ALA N N 35 123.445 123.445 127.373 -3.928 19654 10797 1 15 . 1 1 35 35 ALA HA H 35 4.193 4.193 3.853 0.340 19654 10798 1 15 . 1 1 35 35 ALA CA C 35 54.770 54.770 55.260 -0.490 19654 10799 1 15 . 1 1 35 35 ALA CB C 35 18.437 18.437 18.365 0.072 19654 10800 1 15 . 1 1 35 35 ALA H H 35 8.506 8.506 8.287 0.219 19654 10801 1 15 . 1 1 36 36 THR N N 36 115.716 115.716 113.463 2.253 19654 10802 1 15 . 1 1 36 36 THR HA H 36 3.919 3.919 4.032 -0.113 19654 10803 1 15 . 1 1 36 36 THR CA C 36 67.249 67.249 66.891 0.358 19654 10804 1 15 . 1 1 36 36 THR CB C 36 68.225 68.225 68.666 -0.441 19654 10805 1 15 . 1 1 36 36 THR H H 36 8.262 8.262 7.992 0.270 19654 10806 1 15 . 1 1 37 37 SER N N 37 117.911 117.911 116.660 1.251 19654 10807 1 15 . 1 1 37 37 SER HA H 37 3.869 3.869 4.175 -0.306 19654 10808 1 15 . 1 1 37 37 SER CA C 37 62.333 62.333 61.046 1.287 19654 10809 1 15 . 1 1 37 37 SER CB C 37 62.333 62.333 62.642 -0.310 19654 10810 1 15 . 1 1 37 37 SER H H 37 8.389 8.389 7.848 0.541 19654 10811 1 15 . 1 1 38 38 ARG N N 38 120.924 120.924 123.365 -2.441 19654 10812 1 15 . 1 1 38 38 ARG HA H 38 3.901 3.901 4.090 -0.189 19654 10813 1 15 . 1 1 38 38 ARG CA C 38 59.923 59.923 58.495 1.428 19654 10814 1 15 . 1 1 38 38 ARG CB C 38 29.759 29.759 29.996 -0.237 19654 10815 1 15 . 1 1 38 38 ARG H H 38 8.278 8.278 8.193 0.085 19654 10816 1 15 . 1 1 39 39 LYS N N 39 119.172 119.172 119.456 -0.284 19654 10817 1 15 . 1 1 39 39 LYS HA H 39 4.151 4.151 4.043 0.107 19654 10818 1 15 . 1 1 39 39 LYS CA C 39 59.086 59.086 59.572 -0.486 19654 10819 1 15 . 1 1 39 39 LYS CB C 39 32.807 32.807 31.807 1.000 19654 10820 1 15 . 1 1 39 39 LYS H H 39 7.930 7.930 8.391 -0.461 19654 10821 1 15 . 1 1 40 40 ALA N N 40 125.586 125.586 123.319 2.267 19654 10822 1 15 . 1 1 40 40 ALA HA H 40 4.175 4.175 4.312 -0.137 19654 10823 1 15 . 1 1 40 40 ALA CA C 40 55.633 55.633 55.057 0.576 19654 10824 1 15 . 1 1 40 40 ALA CB C 40 18.675 18.675 18.381 0.294 19654 10825 1 15 . 1 1 40 40 ALA H H 40 9.192 9.192 7.806 1.386 19654 10826 1 15 . 1 1 41 41 LEU N N 41 120.080 120.080 120.277 -0.197 19654 10827 1 15 . 1 1 41 41 LEU HA H 41 3.930 3.930 3.851 0.079 19654 10828 1 15 . 1 1 41 41 LEU CA C 41 58.169 58.169 58.173 -0.004 19654 10829 1 15 . 1 1 41 41 LEU CB C 41 41.683 41.683 41.838 -0.155 19654 10830 1 15 . 1 1 41 41 LEU H H 41 8.209 8.209 7.611 0.598 19654 10831 1 15 . 1 1 42 42 GLU N N 42 117.875 117.875 115.634 2.241 19654 10832 1 15 . 1 1 42 42 GLU HA H 42 3.977 3.977 4.104 -0.127 19654 10833 1 15 . 1 1 42 42 GLU CA C 42 59.335 59.335 58.977 0.357 19654 10834 1 15 . 1 1 42 42 GLU CB C 42 29.176 29.176 29.123 0.053 19654 10835 1 15 . 1 1 42 42 GLU H H 42 8.197 8.197 8.212 -0.015 19654 10836 1 15 . 1 1 43 43 THR N N 43 116.912 116.912 117.913 -1.001 19654 10837 1 15 . 1 1 43 43 THR HA H 43 3.793 3.793 4.060 -0.267 19654 10838 1 15 . 1 1 43 43 THR CA C 43 67.517 67.517 66.705 0.812 19654 10839 1 15 . 1 1 43 43 THR CB C 43 68.089 68.089 68.507 -0.418 19654 10840 1 15 . 1 1 43 43 THR H H 43 8.183 8.183 8.062 0.121 19654 10841 1 15 . 1 1 44 44 LEU N N 44 123.099 123.099 121.638 1.461 19654 10842 1 15 . 1 1 44 44 LEU HA H 44 3.699 3.699 3.952 -0.253 19654 10843 1 15 . 1 1 44 44 LEU CA C 44 58.261 58.261 58.257 0.004 19654 10844 1 15 . 1 1 44 44 LEU CB C 44 40.988 40.988 41.143 -0.155 19654 10845 1 15 . 1 1 44 44 LEU H H 44 8.509 8.509 8.341 0.168 19654 10846 1 15 . 1 1 45 45 ARG N N 45 116.885 116.885 117.253 -0.368 19654 10847 1 15 . 1 1 45 45 ARG HA H 45 4.125 4.125 4.409 -0.284 19654 10848 1 15 . 1 1 45 45 ARG CA C 45 59.617 59.617 59.073 0.544 19654 10849 1 15 . 1 1 45 45 ARG CB C 45 30.423 30.423 29.741 0.682 19654 10850 1 15 . 1 1 45 45 ARG H H 45 8.398 8.398 7.786 0.612 19654 10851 1 15 . 1 1 46 46 ARG N N 46 117.297 117.297 119.026 -1.729 19654 10852 1 15 . 1 1 46 46 ARG HA H 46 4.229 4.229 4.207 0.022 19654 10853 1 15 . 1 1 46 46 ARG CA C 46 58.427 58.427 58.638 -0.211 19654 10854 1 15 . 1 1 46 46 ARG CB C 46 30.408 30.408 30.099 0.309 19654 10855 1 15 . 1 1 46 46 ARG H H 46 7.421 7.421 7.668 -0.247 19654 10856 1 15 . 1 1 47 47 VAL N N 47 114.304 114.304 114.530 -0.226 19654 10857 1 15 . 1 1 47 47 VAL HA H 47 4.094 4.094 4.304 -0.210 19654 10858 1 15 . 1 1 47 47 VAL CA C 47 63.242 63.242 63.859 -0.617 19654 10859 1 15 . 1 1 47 47 VAL CB C 47 32.378 32.378 32.053 0.324 19654 10860 1 15 . 1 1 47 47 VAL H H 47 8.515 8.515 7.698 0.817 19654 10861 1 15 . 1 1 48 48 GLY N N 48 110.132 110.132 109.431 0.701 19654 10862 1 15 . 1 1 48 48 GLY CA C 48 46.588 46.588 47.246 -0.658 19654 10863 1 15 . 1 1 48 48 GLY H H 48 8.890 8.890 8.690 0.200 19654 10864 1 15 . 1 1 49 49 ASP N N 49 121.292 121.292 122.309 -1.017 19654 10865 1 15 . 1 1 49 49 ASP HA H 49 4.456 4.456 4.413 0.043 19654 10866 1 15 . 1 1 49 49 ASP CA C 49 57.787 57.787 58.229 -0.442 19654 10867 1 15 . 1 1 49 49 ASP CB C 49 40.912 40.912 40.747 0.165 19654 10868 1 15 . 1 1 49 49 ASP H H 49 7.392 7.392 8.084 -0.692 19654 10869 1 15 . 1 1 50 50 GLY N N 50 106.682 106.682 107.310 -0.628 19654 10870 1 15 . 1 1 50 50 GLY CA C 50 46.932 46.932 47.255 -0.323 19654 10871 1 15 . 1 1 50 50 GLY H H 50 8.132 8.132 8.347 -0.215 19654 10872 1 15 . 1 1 51 51 VAL N N 51 121.747 121.747 122.942 -1.195 19654 10873 1 15 . 1 1 51 51 VAL HA H 51 3.944 3.944 3.615 0.329 19654 10874 1 15 . 1 1 51 51 VAL CA C 51 66.355 66.355 66.430 -0.075 19654 10875 1 15 . 1 1 51 51 VAL CB C 51 31.594 31.594 31.474 0.120 19654 10876 1 15 . 1 1 51 51 VAL H H 51 7.476 7.476 7.437 0.039 19654 10877 1 15 . 1 1 52 52 GLN N N 52 118.494 118.494 118.579 -0.085 19654 10878 1 15 . 1 1 52 52 GLN HA H 52 3.913 3.913 4.011 -0.098 19654 10879 1 15 . 1 1 52 52 GLN CA C 52 60.391 60.391 59.427 0.964 19654 10880 1 15 . 1 1 52 52 GLN CB C 52 29.682 29.682 28.625 1.057 19654 10881 1 15 . 1 1 52 52 GLN H H 52 8.439 8.439 8.578 -0.139 19654 10882 1 15 . 1 1 53 53 ARG N N 53 116.807 116.807 119.446 -2.639 19654 10883 1 15 . 1 1 53 53 ARG HA H 53 4.163 4.163 4.129 0.034 19654 10884 1 15 . 1 1 53 53 ARG CA C 53 59.086 59.086 59.458 -0.372 19654 10885 1 15 . 1 1 53 53 ARG CB C 53 30.009 30.009 30.159 -0.150 19654 10886 1 15 . 1 1 53 53 ARG H H 53 7.873 7.873 8.108 -0.235 19654 10887 1 15 . 1 1 54 54 ASN N N 54 116.356 116.356 116.041 0.315 19654 10888 1 15 . 1 1 54 54 ASN HA H 54 4.448 4.448 4.551 -0.103 19654 10889 1 15 . 1 1 54 54 ASN CA C 54 54.694 54.694 55.581 -0.888 19654 10890 1 15 . 1 1 54 54 ASN CB C 54 38.302 38.302 38.749 -0.447 19654 10891 1 15 . 1 1 54 54 ASN H H 54 8.123 8.123 8.154 -0.031 19654 10892 1 15 . 1 1 55 55 HIS N N 55 114.809 114.809 118.284 -3.475 19654 10893 1 15 . 1 1 55 55 HIS HA H 55 4.504 4.504 4.264 0.240 19654 10894 1 15 . 1 1 55 55 HIS CA C 55 55.949 55.949 57.586 -1.637 19654 10895 1 15 . 1 1 55 55 HIS CB C 55 28.341 28.341 29.874 -1.533 19654 10896 1 15 . 1 1 55 55 HIS H H 55 7.558 7.558 8.486 -0.928 19654 10897 1 15 . 1 1 56 56 GLU N N 56 121.943 121.943 120.623 1.320 19654 10898 1 15 . 1 1 56 56 GLU HA H 56 3.640 3.640 3.708 -0.068 19654 10899 1 15 . 1 1 56 56 GLU CA C 56 61.360 61.360 60.080 1.280 19654 10900 1 15 . 1 1 56 56 GLU CB C 56 30.006 30.006 29.198 0.808 19654 10901 1 15 . 1 1 56 56 GLU H H 56 7.071 7.071 8.014 -0.943 19654 10902 1 15 . 1 1 57 57 THR N N 57 112.827 112.827 113.549 -0.722 19654 10903 1 15 . 1 1 57 57 THR HA H 57 3.984 3.984 4.069 -0.085 19654 10904 1 15 . 1 1 57 57 THR CA C 57 66.247 66.247 65.311 0.936 19654 10905 1 15 . 1 1 57 57 THR CB C 57 68.002 68.002 68.526 -0.524 19654 10906 1 15 . 1 1 57 57 THR H H 57 8.324 8.324 8.199 0.125 19654 10907 1 15 . 1 1 58 58 ALA N N 58 126.520 126.520 123.598 2.922 19654 10908 1 15 . 1 1 58 58 ALA HA H 58 4.147 4.147 4.157 -0.010 19654 10909 1 15 . 1 1 58 58 ALA CA C 58 54.707 54.707 54.424 0.283 19654 10910 1 15 . 1 1 58 58 ALA CB C 58 17.734 17.734 18.171 -0.437 19654 10911 1 15 . 1 1 58 58 ALA H H 58 7.910 7.910 7.514 0.396 19654 10912 1 15 . 1 1 59 59 PHE N N 59 119.326 119.326 118.298 1.028 19654 10913 1 15 . 1 1 59 59 PHE HA H 59 4.518 4.518 4.197 0.321 19654 10914 1 15 . 1 1 59 59 PHE CA C 59 56.946 56.946 59.167 -2.221 19654 10915 1 15 . 1 1 59 59 PHE CB C 59 34.583 34.583 37.979 -3.396 19654 10916 1 15 . 1 1 59 59 PHE H H 59 9.017 9.017 8.025 0.992 19654 10917 1 15 . 1 1 60 60 GLN N N 60 119.670 119.670 118.591 1.079 19654 10918 1 15 . 1 1 60 60 GLN HA H 60 4.232 4.232 4.148 0.084 19654 10919 1 15 . 1 1 60 60 GLN CA C 60 59.359 59.359 59.293 0.066 19654 10920 1 15 . 1 1 60 60 GLN CB C 60 28.009 28.009 27.736 0.273 19654 10921 1 15 . 1 1 60 60 GLN H H 60 8.678 8.678 8.873 -0.195 19654 10922 1 15 . 1 1 61 61 GLY N N 61 106.140 106.140 105.936 0.204 19654 10923 1 15 . 1 1 61 61 GLY CA C 61 47.085 47.085 46.820 0.265 19654 10924 1 15 . 1 1 61 61 GLY H H 61 7.975 7.975 8.000 -0.025 19654 10925 1 15 . 1 1 62 62 MET N N 62 120.973 120.973 119.132 1.841 19654 10926 1 15 . 1 1 62 62 MET HA H 62 4.080 4.080 4.458 -0.378 19654 10927 1 15 . 1 1 62 62 MET CA C 62 58.752 58.752 57.929 0.823 19654 10928 1 15 . 1 1 62 62 MET CB C 62 33.824 33.824 33.234 0.590 19654 10929 1 15 . 1 1 62 62 MET H H 62 8.007 8.007 7.644 0.363 19654 10930 1 15 . 1 1 63 63 LEU N N 63 119.043 119.043 120.295 -1.252 19654 10931 1 15 . 1 1 63 63 LEU HA H 63 4.139 4.139 3.972 0.167 19654 10932 1 15 . 1 1 63 63 LEU CA C 63 57.645 57.645 58.698 -1.053 19654 10933 1 15 . 1 1 63 63 LEU CB C 63 42.173 42.173 41.099 1.074 19654 10934 1 15 . 1 1 63 63 LEU H H 63 8.394 8.394 8.801 -0.407 19654 10935 1 15 . 1 1 64 64 ARG N N 64 117.294 117.294 117.645 -0.351 19654 10936 1 15 . 1 1 64 64 ARG HA H 64 4.090 4.090 4.128 -0.038 19654 10937 1 15 . 1 1 64 64 ARG CA C 64 58.551 58.551 58.666 -0.115 19654 10938 1 15 . 1 1 64 64 ARG CB C 64 29.772 29.772 30.128 -0.356 19654 10939 1 15 . 1 1 64 64 ARG H H 64 7.912 7.912 8.326 -0.414 19654 10940 1 15 . 1 1 65 65 LYS N N 65 116.840 116.840 117.534 -0.694 19654 10941 1 15 . 1 1 65 65 LYS HA H 65 4.165 4.165 4.379 -0.214 19654 10942 1 15 . 1 1 65 65 LYS CA C 65 57.175 57.175 56.926 0.249 19654 10943 1 15 . 1 1 65 65 LYS CB C 65 32.299 32.299 32.713 -0.414 19654 10944 1 15 . 1 1 65 65 LYS H H 65 7.506 7.506 7.857 -0.351 19654 10945 1 15 . 1 1 66 66 LEU N N 66 119.257 119.257 120.823 -1.566 19654 10946 1 15 . 1 1 66 66 LEU HA H 66 4.232 4.232 4.332 -0.100 19654 10947 1 15 . 1 1 66 66 LEU CA C 66 55.442 55.442 56.246 -0.804 19654 10948 1 15 . 1 1 66 66 LEU CB C 66 43.042 43.042 42.434 0.608 19654 10949 1 15 . 1 1 66 66 LEU H H 66 7.736 7.736 7.706 0.030 19654 10950 1 15 . 1 1 67 67 ASP N N 67 119.743 119.743 119.119 0.624 19654 10951 1 15 . 1 1 67 67 ASP HA H 67 4.457 4.457 4.340 0.117 19654 10952 1 15 . 1 1 67 67 ASP CA C 67 53.850 53.850 54.721 -0.871 19654 10953 1 15 . 1 1 67 67 ASP CB C 67 40.195 40.195 40.770 -0.575 19654 10954 1 15 . 1 1 67 67 ASP H H 67 8.068 8.068 7.981 0.087 19654 10955 1 15 . 1 1 68 68 ILE N N 68 120.055 120.055 122.480 -2.425 19654 10956 1 15 . 1 1 68 68 ILE HA H 68 3.870 3.870 4.026 -0.156 19654 10957 1 15 . 1 1 68 68 ILE CA C 68 61.524 61.524 61.599 -0.075 19654 10958 1 15 . 1 1 68 68 ILE CB C 68 37.986 37.986 36.873 1.113 19654 10959 1 15 . 1 1 68 68 ILE H H 68 8.275 8.275 8.615 -0.340 19654 10960 1 15 . 1 1 69 69 LYS N N 69 126.186 126.186 127.147 -0.961 19654 10961 1 15 . 1 1 69 69 LYS HA H 69 4.481 4.481 4.403 0.078 19654 10962 1 15 . 1 1 69 69 LYS CA C 69 56.304 56.304 55.702 0.602 19654 10963 1 15 . 1 1 69 69 LYS CB C 69 34.136 34.136 33.008 1.128 19654 10964 1 15 . 1 1 69 69 LYS H H 69 9.722 9.722 8.844 0.878 19654 10965 1 15 . 1 1 70 70 ASN N N 70 115.056 115.056 115.611 -0.555 19654 10966 1 15 . 1 1 70 70 ASN HA H 70 4.700 4.700 4.799 -0.099 19654 10967 1 15 . 1 1 70 70 ASN CA C 70 51.977 51.977 51.991 -0.014 19654 10968 1 15 . 1 1 70 70 ASN CB C 70 39.474 39.474 40.279 -0.805 19654 10969 1 15 . 1 1 70 70 ASN H H 70 7.959 7.959 8.236 -0.277 19654 10970 1 15 . 1 1 71 71 GLU N N 71 118.214 118.214 119.826 -1.612 19654 10971 1 15 . 1 1 71 71 GLU HA H 71 3.967 3.967 3.942 0.025 19654 10972 1 15 . 1 1 71 71 GLU CA C 71 59.354 59.354 59.851 -0.497 19654 10973 1 15 . 1 1 71 71 GLU CB C 71 29.520 29.520 29.538 -0.018 19654 10974 1 15 . 1 1 71 71 GLU H H 71 8.831 8.831 9.024 -0.193 19654 10975 1 15 . 1 1 72 72 ASP N N 72 120.319 120.319 118.455 1.864 19654 10976 1 15 . 1 1 72 72 ASP HA H 72 4.422 4.422 4.322 0.100 19654 10977 1 15 . 1 1 72 72 ASP CA C 72 57.036 57.036 57.790 -0.754 19654 10978 1 15 . 1 1 72 72 ASP CB C 72 39.945 39.945 40.160 -0.215 19654 10979 1 15 . 1 1 72 72 ASP H H 72 8.167 8.167 8.250 -0.083 19654 10980 1 15 . 1 1 73 73 ASP N N 73 119.793 119.793 119.718 0.075 19654 10981 1 15 . 1 1 73 73 ASP HA H 73 4.521 4.521 4.416 0.105 19654 10982 1 15 . 1 1 73 73 ASP CA C 73 56.337 56.337 57.236 -0.899 19654 10983 1 15 . 1 1 73 73 ASP CB C 73 41.927 41.927 40.515 1.412 19654 10984 1 15 . 1 1 73 73 ASP H H 73 8.153 8.153 7.893 0.260 19654 10985 1 15 . 1 1 74 74 VAL N N 74 117.572 117.572 120.445 -2.873 19654 10986 1 15 . 1 1 74 74 VAL HA H 74 3.714 3.714 3.594 0.120 19654 10987 1 15 . 1 1 74 74 VAL CA C 74 65.498 65.498 66.565 -1.067 19654 10988 1 15 . 1 1 74 74 VAL CB C 74 31.077 31.077 31.544 -0.467 19654 10989 1 15 . 1 1 74 74 VAL H H 74 7.629 7.629 7.385 0.244 19654 10990 1 15 . 1 1 75 75 LYS N N 75 119.403 119.403 118.479 0.924 19654 10991 1 15 . 1 1 75 75 LYS HA H 75 4.154 4.154 4.004 0.150 19654 10992 1 15 . 1 1 75 75 LYS CA C 75 59.034 59.034 59.407 -0.373 19654 10993 1 15 . 1 1 75 75 LYS CB C 75 31.909 31.909 32.132 -0.223 19654 10994 1 15 . 1 1 75 75 LYS H H 75 7.961 7.961 8.070 -0.109 19654 10995 1 15 . 1 1 76 76 SER N N 76 114.355 114.355 115.042 -0.687 19654 10996 1 15 . 1 1 76 76 SER HA H 76 4.453 4.453 4.320 0.133 19654 10997 1 15 . 1 1 76 76 SER CA C 76 60.061 60.061 60.887 -0.826 19654 10998 1 15 . 1 1 76 76 SER CB C 76 63.023 63.023 63.093 -0.070 19654 10999 1 15 . 1 1 76 76 SER H H 76 7.919 7.919 7.824 0.095 19654 11000 1 15 . 1 1 77 77 LEU N N 77 121.954 121.954 122.824 -0.870 19654 11001 1 15 . 1 1 77 77 LEU HA H 77 4.230 4.230 4.003 0.227 19654 11002 1 15 . 1 1 77 77 LEU CA C 77 56.764 56.764 57.757 -0.993 19654 11003 1 15 . 1 1 77 77 LEU CB C 77 41.695 41.695 41.373 0.322 19654 11004 1 15 . 1 1 77 77 LEU H H 77 7.883 7.883 8.360 -0.477 19654 11005 1 15 . 1 1 78 78 SER N N 78 115.268 115.268 114.085 1.183 19654 11006 1 15 . 1 1 78 78 SER HA H 78 3.962 3.962 4.028 -0.066 19654 11007 1 15 . 1 1 78 78 SER CA C 78 62.337 62.337 61.548 0.789 19654 11008 1 15 . 1 1 78 78 SER CB C 78 62.218 62.218 62.978 -0.760 19654 11009 1 15 . 1 1 78 78 SER H H 78 8.185 8.185 7.875 0.310 19654 11010 1 15 . 1 1 79 79 ARG N N 79 119.021 119.021 120.367 -1.346 19654 11011 1 15 . 1 1 79 79 ARG HA H 79 4.090 4.090 4.176 -0.086 19654 11012 1 15 . 1 1 79 79 ARG CA C 79 58.849 58.849 58.421 0.428 19654 11013 1 15 . 1 1 79 79 ARG CB C 79 29.930 29.930 29.677 0.253 19654 11014 1 15 . 1 1 79 79 ARG H H 79 7.684 7.684 7.730 -0.046 19654 11015 1 15 . 1 1 80 80 VAL N N 80 116.979 116.979 121.076 -4.097 19654 11016 1 15 . 1 1 80 80 VAL HA H 80 3.953 3.953 3.701 0.252 19654 11017 1 15 . 1 1 80 80 VAL CA C 80 64.228 64.228 66.528 -2.300 19654 11018 1 15 . 1 1 80 80 VAL CB C 80 32.210 32.210 31.616 0.594 19654 11019 1 15 . 1 1 80 80 VAL H H 80 7.479 7.479 7.351 0.128 19654 11020 1 15 . 1 1 81 81 MET N N 81 117.822 117.822 118.216 -0.394 19654 11021 1 15 . 1 1 81 81 MET HA H 81 4.053 4.053 4.138 -0.085 19654 11022 1 15 . 1 1 81 81 MET CA C 81 58.322 58.322 57.660 0.662 19654 11023 1 15 . 1 1 81 81 MET CB C 81 32.555 32.555 31.402 1.153 19654 11024 1 15 . 1 1 81 81 MET H H 81 8.104 8.104 8.178 -0.074 19654 11025 1 15 . 1 1 82 82 ILE N N 82 116.348 116.348 118.065 -1.717 19654 11026 1 15 . 1 1 82 82 ILE HA H 82 3.815 3.815 3.897 -0.082 19654 11027 1 15 . 1 1 82 82 ILE CA C 82 63.653 63.653 65.011 -1.359 19654 11028 1 15 . 1 1 82 82 ILE CB C 82 37.879 37.879 37.426 0.453 19654 11029 1 15 . 1 1 82 82 ILE H H 82 7.789 7.789 7.753 0.036 19654 11030 1 15 . 1 1 83 83 HIS N N 83 118.994 118.994 117.816 1.178 19654 11031 1 15 . 1 1 83 83 HIS HA H 83 4.409 4.409 4.498 -0.089 19654 11032 1 15 . 1 1 83 83 HIS CA C 83 58.245 58.245 59.262 -1.017 19654 11033 1 15 . 1 1 83 83 HIS CB C 83 29.735 29.735 29.691 0.044 19654 11034 1 15 . 1 1 83 83 HIS H H 83 7.543 7.543 7.395 0.148 19654 11035 1 15 . 1 1 84 84 VAL N N 84 117.112 117.112 119.440 -2.328 19654 11036 1 15 . 1 1 84 84 VAL HA H 84 3.631 3.631 3.717 -0.086 19654 11037 1 15 . 1 1 84 84 VAL CA C 84 64.628 64.628 65.427 -0.799 19654 11038 1 15 . 1 1 84 84 VAL CB C 84 31.904 31.904 30.680 1.224 19654 11039 1 15 . 1 1 84 84 VAL H H 84 7.713 7.713 8.192 -0.479 19654 11040 1 15 . 1 1 85 85 PHE N N 85 115.531 115.531 115.974 -0.443 19654 11041 1 15 . 1 1 85 85 PHE HA H 85 4.733 4.733 4.775 -0.042 19654 11042 1 15 . 1 1 85 85 PHE CA C 85 57.326 57.326 57.473 -0.147 19654 11043 1 15 . 1 1 85 85 PHE CB C 85 39.507 39.507 37.158 2.349 19654 11044 1 15 . 1 1 85 85 PHE H H 85 7.743 7.743 7.406 0.337 19654 11045 1 15 . 1 1 86 86 SER N N 86 114.812 114.812 116.197 -1.385 19654 11046 1 15 . 1 1 86 86 SER HA H 86 4.275 4.275 4.385 -0.110 19654 11047 1 15 . 1 1 86 86 SER CA C 86 59.832 59.832 58.804 1.028 19654 11048 1 15 . 1 1 86 86 SER CB C 86 63.482 63.482 62.695 0.787 19654 11049 1 15 . 1 1 86 86 SER H H 86 7.634 7.634 7.970 -0.336 19654 11050 1 15 . 1 1 87 87 ASP N N 87 120.986 120.986 122.243 -1.257 19654 11051 1 15 . 1 1 87 87 ASP HA H 87 4.491 4.491 4.468 0.023 19654 11052 1 15 . 1 1 87 87 ASP CA C 87 54.032 54.032 56.030 -1.998 19654 11053 1 15 . 1 1 87 87 ASP CB C 87 40.411 40.411 41.078 -0.667 19654 11054 1 15 . 1 1 87 87 ASP H H 87 8.043 8.043 8.075 -0.032 19654 11055 1 15 . 1 1 88 88 GLY N N 88 108.171 108.171 106.958 1.213 19654 11056 1 15 . 1 1 88 88 GLY CA C 88 44.981 44.981 44.603 0.378 19654 11057 1 15 . 1 1 88 88 GLY H H 88 8.163 8.163 8.415 -0.252 19654 11058 1 15 . 1 1 89 89 VAL N N 89 121.716 121.716 122.802 -1.086 19654 11059 1 15 . 1 1 89 89 VAL HA H 89 3.879 3.879 4.181 -0.302 19654 11060 1 15 . 1 1 89 89 VAL CA C 89 62.471 62.471 61.123 1.348 19654 11061 1 15 . 1 1 89 89 VAL CB C 89 32.418 32.418 32.984 -0.566 19654 11062 1 15 . 1 1 89 89 VAL H H 89 7.886 7.886 7.696 0.190 19654 11063 1 15 . 1 1 90 90 THR N N 90 121.669 121.669 120.177 1.492 19654 11064 1 15 . 1 1 90 90 THR HA H 90 3.657 3.657 4.128 -0.471 19654 11065 1 15 . 1 1 90 90 THR CA C 90 62.473 62.473 60.493 1.980 19654 11066 1 15 . 1 1 90 90 THR CB C 90 68.528 68.528 67.312 1.216 19654 11067 1 15 . 1 1 90 90 THR H H 90 8.201 8.201 8.298 -0.097 19654 11068 1 15 . 1 1 91 91 ASN HA H 91 4.162 4.162 4.448 -0.286 19654 11069 1 15 . 1 1 91 91 ASN CA C 91 51.748 51.748 51.835 -0.087 19654 11070 1 15 . 1 1 91 91 ASN CB C 91 39.645 39.645 40.278 -0.633 19654 11071 1 15 . 1 1 91 91 ASN H H 91 8.826 8.826 7.406 1.420 19654 11072 1 15 . 1 1 92 92 TRP N N 92 118.437 118.437 124.034 -5.597 19654 11073 1 15 . 1 1 92 92 TRP HA H 92 4.739 4.739 4.218 0.521 19654 11074 1 15 . 1 1 92 92 TRP CA C 92 60.233 60.233 59.373 0.860 19654 11075 1 15 . 1 1 92 92 TRP CB C 92 30.167 30.167 28.864 1.303 19654 11076 1 15 . 1 1 92 92 TRP H H 92 8.942 8.942 8.118 0.824 19654 11077 1 15 . 1 1 93 93 GLY N N 93 108.154 108.154 108.228 -0.074 19654 11078 1 15 . 1 1 93 93 GLY CA C 93 47.544 47.544 46.896 0.648 19654 11079 1 15 . 1 1 93 93 GLY H H 93 8.697 8.697 8.250 0.447 19654 11080 1 15 . 1 1 94 94 ARG N N 94 122.547 122.547 120.121 2.426 19654 11081 1 15 . 1 1 94 94 ARG HA H 94 4.072 4.072 4.220 -0.148 19654 11082 1 15 . 1 1 94 94 ARG CA C 94 58.556 58.556 58.572 -0.016 19654 11083 1 15 . 1 1 94 94 ARG CB C 94 30.201 30.201 29.922 0.279 19654 11084 1 15 . 1 1 94 94 ARG H H 94 8.353 8.353 7.927 0.426 19654 11085 1 15 . 1 1 95 95 ILE N N 95 120.130 120.130 120.545 -0.415 19654 11086 1 15 . 1 1 95 95 ILE HA H 95 3.708 3.708 4.021 -0.313 19654 11087 1 15 . 1 1 95 95 ILE CA C 95 65.511 65.511 63.271 2.240 19654 11088 1 15 . 1 1 95 95 ILE CB C 95 37.486 37.486 36.795 0.691 19654 11089 1 15 . 1 1 95 95 ILE H H 95 7.545 7.545 7.741 -0.196 19654 11090 1 15 . 1 1 96 96 VAL N N 96 119.403 119.403 120.864 -1.461 19654 11091 1 15 . 1 1 96 96 VAL HA H 96 3.723 3.723 3.589 0.134 19654 11092 1 15 . 1 1 96 96 VAL CA C 96 67.249 67.249 67.468 -0.219 19654 11093 1 15 . 1 1 96 96 VAL CB C 96 31.001 31.001 31.246 -0.245 19654 11094 1 15 . 1 1 96 96 VAL H H 96 8.990 8.990 7.920 1.070 19654 11095 1 15 . 1 1 97 97 THR N N 97 122.016 122.016 117.385 4.631 19654 11096 1 15 . 1 1 97 97 THR HA H 97 3.784 3.784 4.007 -0.223 19654 11097 1 15 . 1 1 97 97 THR CA C 97 68.159 68.159 66.666 1.493 19654 11098 1 15 . 1 1 97 97 THR CB C 97 67.212 67.212 68.659 -1.447 19654 11099 1 15 . 1 1 97 97 THR H H 97 8.605 8.605 7.960 0.645 19654 11100 1 15 . 1 1 98 98 LEU N N 98 122.476 122.476 123.361 -0.885 19654 11101 1 15 . 1 1 98 98 LEU HA H 98 3.805 3.805 4.069 -0.264 19654 11102 1 15 . 1 1 98 98 LEU CA C 98 58.818 58.818 58.133 0.685 19654 11103 1 15 . 1 1 98 98 LEU CB C 98 41.158 41.158 41.800 -0.642 19654 11104 1 15 . 1 1 98 98 LEU H H 98 7.769 7.769 7.693 0.076 19654 11105 1 15 . 1 1 99 99 ILE N N 99 117.997 117.997 117.870 0.127 19654 11106 1 15 . 1 1 99 99 ILE HA H 99 3.509 3.509 3.679 -0.170 19654 11107 1 15 . 1 1 99 99 ILE CA C 99 66.261 66.261 65.664 0.597 19654 11108 1 15 . 1 1 99 99 ILE CB C 99 38.350 38.350 37.539 0.810 19654 11109 1 15 . 1 1 99 99 ILE H H 99 8.175 8.175 7.976 0.199 19654 11110 1 15 . 1 1 100 100 SER N N 100 116.934 116.934 117.523 -0.589 19654 11111 1 15 . 1 1 100 100 SER HA H 100 4.447 4.447 4.542 -0.095 19654 11112 1 15 . 1 1 100 100 SER CA C 100 63.290 63.290 62.010 1.280 19654 11113 1 15 . 1 1 100 100 SER CB C 100 62.867 62.867 63.396 -0.529 19654 11114 1 15 . 1 1 100 100 SER H H 100 8.989 8.989 8.703 0.286 19654 11115 1 15 . 1 1 101 101 PHE N N 101 124.640 124.640 123.997 0.643 19654 11116 1 15 . 1 1 101 101 PHE HA H 101 3.420 3.420 3.948 -0.528 19654 11117 1 15 . 1 1 101 101 PHE CA C 101 60.499 60.499 59.837 0.662 19654 11118 1 15 . 1 1 101 101 PHE CB C 101 37.333 37.333 38.406 -1.073 19654 11119 1 15 . 1 1 101 101 PHE H H 101 8.513 8.513 8.462 0.051 19654 11120 1 15 . 1 1 102 102 GLY N N 102 106.116 106.116 106.939 -0.823 19654 11121 1 15 . 1 1 102 102 GLY CA C 102 48.166 48.166 46.943 1.223 19654 11122 1 15 . 1 1 102 102 GLY H H 102 8.111 8.111 8.024 0.087 19654 11123 1 15 . 1 1 103 103 ALA N N 103 124.560 124.560 124.571 -0.011 19654 11124 1 15 . 1 1 103 103 ALA HA H 103 3.780 3.780 3.875 -0.095 19654 11125 1 15 . 1 1 103 103 ALA CA C 103 55.646 55.646 54.593 1.053 19654 11126 1 15 . 1 1 103 103 ALA CB C 103 18.476 18.476 18.364 0.112 19654 11127 1 15 . 1 1 103 103 ALA H H 103 8.437 8.437 8.110 0.327 19654 11128 1 15 . 1 1 104 104 PHE N N 104 120.981 120.981 120.127 0.854 19654 11129 1 15 . 1 1 104 104 PHE HA H 104 3.989 3.989 4.112 -0.123 19654 11130 1 15 . 1 1 104 104 PHE CA C 104 62.258 62.258 61.774 0.484 19654 11131 1 15 . 1 1 104 104 PHE CB C 104 39.949 39.949 39.360 0.589 19654 11132 1 15 . 1 1 104 104 PHE H H 104 8.213 8.213 8.260 -0.047 19654 11133 1 15 . 1 1 105 105 VAL N N 105 120.473 120.473 119.337 1.136 19654 11134 1 15 . 1 1 105 105 VAL HA H 105 3.236 3.236 3.384 -0.148 19654 11135 1 15 . 1 1 105 105 VAL CA C 105 66.348 66.348 66.530 -0.182 19654 11136 1 15 . 1 1 105 105 VAL CB C 105 30.720 30.720 30.930 -0.210 19654 11137 1 15 . 1 1 105 105 VAL H H 105 8.513 8.513 8.177 0.336 19654 11138 1 15 . 1 1 106 106 ALA N N 106 123.948 123.948 123.255 0.693 19654 11139 1 15 . 1 1 106 106 ALA HA H 106 3.660 3.660 3.771 -0.111 19654 11140 1 15 . 1 1 106 106 ALA CA C 106 55.607 55.607 55.544 0.063 19654 11141 1 15 . 1 1 106 106 ALA CB C 106 18.003 18.003 17.997 0.006 19654 11142 1 15 . 1 1 106 106 ALA H H 106 8.807 8.807 8.213 0.594 19654 11143 1 15 . 1 1 107 107 LYS N N 107 115.836 115.836 117.982 -2.146 19654 11144 1 15 . 1 1 107 107 LYS HA H 107 3.733 3.733 3.783 -0.050 19654 11145 1 15 . 1 1 107 107 LYS CA C 107 60.462 60.462 59.897 0.565 19654 11146 1 15 . 1 1 107 107 LYS CB C 107 31.907 31.907 32.139 -0.232 19654 11147 1 15 . 1 1 107 107 LYS H H 107 7.934 7.934 7.856 0.078 19654 11148 1 15 . 1 1 108 108 HIS N N 108 120.459 120.459 119.012 1.447 19654 11149 1 15 . 1 1 108 108 HIS HA H 108 4.212 4.212 4.213 -0.001 19654 11150 1 15 . 1 1 108 108 HIS CA C 108 59.623 59.623 59.365 0.258 19654 11151 1 15 . 1 1 108 108 HIS CB C 108 29.838 29.838 29.618 0.220 19654 11152 1 15 . 1 1 108 108 HIS H H 108 7.254 7.254 7.425 -0.171 19654 11153 1 15 . 1 1 109 109 LEU N N 109 118.336 118.336 120.505 -2.169 19654 11154 1 15 . 1 1 109 109 LEU HA H 109 3.640 3.640 3.791 -0.151 19654 11155 1 15 . 1 1 109 109 LEU CA C 109 56.945 56.945 58.095 -1.150 19654 11156 1 15 . 1 1 109 109 LEU CB C 109 39.709 39.709 41.637 -1.928 19654 11157 1 15 . 1 1 109 109 LEU H H 109 8.709 8.709 8.437 0.272 19654 11158 1 15 . 1 1 110 110 LYS N N 110 118.036 118.036 118.902 -0.866 19654 11159 1 15 . 1 1 110 110 LYS HA H 110 3.944 3.944 3.911 0.033 19654 11160 1 15 . 1 1 110 110 LYS CA C 110 58.967 58.967 59.633 -0.666 19654 11161 1 15 . 1 1 110 110 LYS CB C 110 32.220 32.220 32.242 -0.022 19654 11162 1 15 . 1 1 110 110 LYS H H 110 7.752 7.752 8.148 -0.396 19654 11163 1 15 . 1 1 111 111 THR N N 111 115.985 115.985 116.470 -0.485 19654 11164 1 15 . 1 1 111 111 THR HA H 111 3.990 3.990 3.986 0.004 19654 11165 1 15 . 1 1 111 111 THR CA C 111 65.921 65.921 66.090 -0.169 19654 11166 1 15 . 1 1 111 111 THR CB C 111 68.611 68.611 68.780 -0.169 19654 11167 1 15 . 1 1 111 111 THR H H 111 7.832 7.832 7.649 0.183 19654 11168 1 15 . 1 1 112 112 ILE N N 112 112.606 112.606 114.026 -1.420 19654 11169 1 15 . 1 1 112 112 ILE HA H 112 4.454 4.454 4.257 0.197 19654 11170 1 15 . 1 1 112 112 ILE CA C 112 60.922 60.922 60.869 0.053 19654 11171 1 15 . 1 1 112 112 ILE CB C 112 36.813 36.813 36.748 0.065 19654 11172 1 15 . 1 1 112 112 ILE H H 112 7.262 7.262 7.499 -0.237 19654 11173 1 15 . 1 1 113 113 ASN N N 113 116.297 116.297 115.156 1.141 19654 11174 1 15 . 1 1 113 113 ASN HA H 113 4.576 4.576 4.435 0.141 19654 11175 1 15 . 1 1 113 113 ASN CA C 113 54.653 54.653 54.694 -0.041 19654 11176 1 15 . 1 1 113 113 ASN CB C 113 36.497 36.497 37.450 -0.953 19654 11177 1 15 . 1 1 113 113 ASN H H 113 7.816 7.816 7.768 0.048 19654 11178 1 15 . 1 1 114 114 GLN N N 114 117.958 117.958 117.000 0.958 19654 11179 1 15 . 1 1 114 114 GLN HA H 114 4.739 4.739 4.496 0.243 19654 11180 1 15 . 1 1 114 114 GLN CA C 114 54.079 54.079 54.596 -0.517 19654 11181 1 15 . 1 1 114 114 GLN CB C 114 28.840 28.840 27.791 1.048 19654 11182 1 15 . 1 1 114 114 GLN H H 114 8.522 8.522 8.330 0.192 19654 11183 1 15 . 1 1 115 115 GLU N N 115 120.597 120.597 122.125 -1.528 19654 11184 1 15 . 1 1 115 115 GLU HA H 115 3.646 3.646 3.978 -0.332 19654 11185 1 15 . 1 1 115 115 GLU CA C 115 59.569 59.569 59.767 -0.198 19654 11186 1 15 . 1 1 115 115 GLU CB C 115 29.061 29.061 29.147 -0.086 19654 11187 1 15 . 1 1 115 115 GLU H H 115 8.881 8.881 8.584 0.297 19654 11188 1 15 . 1 1 116 116 SER N N 116 115.352 115.352 113.648 1.704 19654 11189 1 15 . 1 1 116 116 SER HA H 116 4.250 4.250 4.207 0.043 19654 11190 1 15 . 1 1 116 116 SER CA C 116 60.593 60.593 61.398 -0.805 19654 11191 1 15 . 1 1 116 116 SER CB C 116 62.231 62.231 62.839 -0.608 19654 11192 1 15 . 1 1 116 116 SER H H 116 8.702 8.702 8.646 0.056 19654 11193 1 15 . 1 1 117 117 SER N N 117 116.944 116.944 116.956 -0.012 19654 11194 1 15 . 1 1 117 117 SER HA H 117 4.461 4.461 4.304 0.157 19654 11195 1 15 . 1 1 117 117 SER CA C 117 60.219 60.219 61.045 -0.827 19654 11196 1 15 . 1 1 117 117 SER CB C 117 64.116 64.116 63.389 0.727 19654 11197 1 15 . 1 1 117 117 SER H H 117 7.963 7.963 7.726 0.237 19654 11198 1 15 . 1 1 118 118 ILE N N 118 122.505 122.505 121.195 1.310 19654 11199 1 15 . 1 1 118 118 ILE HA H 118 3.419 3.419 3.582 -0.163 19654 11200 1 15 . 1 1 118 118 ILE CA C 118 66.227 66.227 65.596 0.631 19654 11201 1 15 . 1 1 118 118 ILE CB C 118 36.723 36.723 37.629 -0.906 19654 11202 1 15 . 1 1 118 118 ILE H H 118 7.945 7.945 7.590 0.355 19654 11203 1 15 . 1 1 119 119 GLU N N 119 119.604 119.604 119.189 0.415 19654 11204 1 15 . 1 1 119 119 GLU HA H 119 4.244 4.244 4.110 0.134 19654 11205 1 15 . 1 1 119 119 GLU CA C 119 61.540 61.540 61.425 0.115 19654 11206 1 15 . 1 1 119 119 GLU CB C 119 26.092 26.092 27.568 -1.476 19654 11207 1 15 . 1 1 119 119 GLU H H 119 8.244 8.244 8.393 -0.149 19654 11208 1 15 . 1 1 120 120 PRO HA H 120 4.446 4.446 4.445 0.001 19654 11209 1 15 . 1 1 120 120 PRO CA C 120 65.583 65.583 65.393 0.190 19654 11210 1 15 . 1 1 120 120 PRO CB C 120 30.167 30.167 31.433 -1.266 19654 11211 1 15 . 1 1 121 121 LEU N N 121 120.974 120.974 120.292 0.682 19654 11212 1 15 . 1 1 121 121 LEU HA H 121 3.990 3.990 4.059 -0.069 19654 11213 1 15 . 1 1 121 121 LEU CA C 121 58.436 58.436 57.601 0.835 19654 11214 1 15 . 1 1 121 121 LEU CB C 121 40.988 40.988 41.700 -0.712 19654 11215 1 15 . 1 1 121 121 LEU H H 121 7.587 7.587 7.803 -0.216 19654 11216 1 15 . 1 1 122 122 ALA N N 122 121.982 121.982 121.317 0.665 19654 11217 1 15 . 1 1 122 122 ALA HA H 122 3.743 3.743 3.880 -0.137 19654 11218 1 15 . 1 1 122 122 ALA CA C 122 55.233 55.233 55.307 -0.074 19654 11219 1 15 . 1 1 122 122 ALA CB C 122 17.687 17.687 17.895 -0.208 19654 11220 1 15 . 1 1 122 122 ALA H H 122 8.593 8.593 8.141 0.452 19654 11221 1 15 . 1 1 123 123 GLU N N 123 120.516 120.516 118.032 2.484 19654 11222 1 15 . 1 1 123 123 GLU HA H 123 3.862 3.862 3.893 -0.032 19654 11223 1 15 . 1 1 123 123 GLU CA C 123 59.995 59.995 59.409 0.586 19654 11224 1 15 . 1 1 123 123 GLU CB C 123 29.298 29.298 29.510 -0.212 19654 11225 1 15 . 1 1 123 123 GLU H H 123 8.568 8.568 8.258 0.310 19654 11226 1 15 . 1 1 124 124 SER N N 124 116.054 116.054 116.066 -0.012 19654 11227 1 15 . 1 1 124 124 SER HA H 124 4.367 4.367 4.254 0.113 19654 11228 1 15 . 1 1 124 124 SER CA C 124 62.240 62.240 62.335 -0.095 19654 11229 1 15 . 1 1 124 124 SER CB C 124 63.074 63.074 62.823 0.251 19654 11230 1 15 . 1 1 124 124 SER H H 124 8.282 8.282 8.046 0.236 19654 11231 1 15 . 1 1 125 125 ILE N N 125 120.575 120.575 121.992 -1.417 19654 11232 1 15 . 1 1 125 125 ILE HA H 125 3.627 3.627 3.761 -0.134 19654 11233 1 15 . 1 1 125 125 ILE CA C 125 64.655 64.655 64.420 0.235 19654 11234 1 15 . 1 1 125 125 ILE CB C 125 37.413 37.413 36.886 0.527 19654 11235 1 15 . 1 1 125 125 ILE H H 125 8.343 8.343 8.425 -0.082 19654 11236 1 15 . 1 1 126 126 THR N N 126 116.459 116.459 116.090 0.369 19654 11237 1 15 . 1 1 126 126 THR HA H 126 3.482 3.482 3.958 -0.476 19654 11238 1 15 . 1 1 126 126 THR CA C 126 68.679 68.679 67.540 1.139 19654 11239 1 15 . 1 1 126 126 THR CB C 126 67.075 67.075 68.067 -0.992 19654 11240 1 15 . 1 1 126 126 THR H H 126 8.056 8.056 7.972 0.084 19654 11241 1 15 . 1 1 127 127 ASP N N 127 120.236 120.236 122.599 -2.363 19654 11242 1 15 . 1 1 127 127 ASP HA H 127 4.481 4.481 4.567 -0.086 19654 11243 1 15 . 1 1 127 127 ASP CA C 127 58.322 58.322 57.873 0.449 19654 11244 1 15 . 1 1 127 127 ASP CB C 127 41.822 41.822 40.955 0.867 19654 11245 1 15 . 1 1 127 127 ASP H H 127 8.813 8.813 8.066 0.747 19654 11246 1 15 . 1 1 128 128 VAL N N 128 116.904 116.904 119.469 -2.565 19654 11247 1 15 . 1 1 128 128 VAL HA H 128 3.677 3.677 3.718 -0.041 19654 11248 1 15 . 1 1 128 128 VAL CA C 128 66.346 66.346 66.586 -0.240 19654 11249 1 15 . 1 1 128 128 VAL CB C 128 31.351 31.351 32.056 -0.705 19654 11250 1 15 . 1 1 128 128 VAL H H 128 7.949 7.949 7.867 0.082 19654 11251 1 15 . 1 1 129 129 LEU N N 129 121.043 121.043 121.535 -0.492 19654 11252 1 15 . 1 1 129 129 LEU HA H 129 3.819 3.819 4.094 -0.275 19654 11253 1 15 . 1 1 129 129 LEU CA C 129 58.742 58.742 58.417 0.325 19654 11254 1 15 . 1 1 129 129 LEU CB C 129 42.370 42.370 41.882 0.488 19654 11255 1 15 . 1 1 129 129 LEU H H 129 8.198 8.198 8.225 -0.027 19654 11256 1 15 . 1 1 130 130 VAL N N 130 114.370 114.370 117.978 -3.608 19654 11257 1 15 . 1 1 130 130 VAL HA H 130 3.525 3.525 3.740 -0.215 19654 11258 1 15 . 1 1 130 130 VAL CA C 130 66.004 66.004 66.352 -0.348 19654 11259 1 15 . 1 1 130 130 VAL CB C 130 31.320 31.320 31.564 -0.244 19654 11260 1 15 . 1 1 130 130 VAL H H 130 8.858 8.858 8.434 0.424 19654 11261 1 15 . 1 1 131 131 ARG N N 131 115.890 115.890 120.004 -4.114 19654 11262 1 15 . 1 1 131 131 ARG HA H 131 4.284 4.284 4.123 0.161 19654 11263 1 15 . 1 1 131 131 ARG CA C 131 59.255 59.255 59.013 0.242 19654 11264 1 15 . 1 1 131 131 ARG CB C 131 30.009 30.009 29.953 0.056 19654 11265 1 15 . 1 1 131 131 ARG H H 131 8.619 8.619 7.820 0.799 19654 11266 1 15 . 1 1 132 132 THR N N 132 106.654 106.654 111.371 -4.717 19654 11267 1 15 . 1 1 132 132 THR HA H 132 4.464 4.464 4.401 0.063 19654 11268 1 15 . 1 1 132 132 THR CA C 132 64.081 64.081 63.561 0.520 19654 11269 1 15 . 1 1 132 132 THR CB C 132 69.870 69.870 69.748 0.122 19654 11270 1 15 . 1 1 132 132 THR H H 132 7.530 7.530 7.769 -0.239 19654 11271 1 15 . 1 1 133 133 LYS N N 133 117.426 117.426 122.004 -4.578 19654 11272 1 15 . 1 1 133 133 LYS HA H 133 5.029 5.029 4.760 0.269 19654 11273 1 15 . 1 1 133 133 LYS CA C 133 53.009 53.009 54.281 -1.272 19654 11274 1 15 . 1 1 133 133 LYS CB C 133 31.044 31.044 31.523 -0.479 19654 11275 1 15 . 1 1 133 133 LYS H H 133 7.691 7.691 7.911 -0.220 19654 11276 1 15 . 1 1 134 134 ARG N N 134 120.904 120.904 121.320 -0.416 19654 11277 1 15 . 1 1 134 134 ARG HA H 134 3.679 3.679 3.918 -0.239 19654 11278 1 15 . 1 1 134 134 ARG CA C 134 61.456 61.456 59.755 1.701 19654 11279 1 15 . 1 1 134 134 ARG CB C 134 30.261 30.261 29.716 0.545 19654 11280 1 15 . 1 1 134 134 ARG H H 134 7.341 7.341 7.701 -0.360 19654 11281 1 15 . 1 1 135 135 ASP N N 135 114.262 114.262 118.363 -4.101 19654 11282 1 15 . 1 1 135 135 ASP HA H 135 4.238 4.238 4.358 -0.120 19654 11283 1 15 . 1 1 135 135 ASP CA C 135 57.595 57.595 57.715 -0.120 19654 11284 1 15 . 1 1 135 135 ASP CB C 135 39.961 39.961 39.870 0.091 19654 11285 1 15 . 1 1 135 135 ASP H H 135 8.386 8.386 8.658 -0.272 19654 11286 1 15 . 1 1 136 136 TRP N N 136 121.564 121.564 120.382 1.182 19654 11287 1 15 . 1 1 136 136 TRP HA H 136 3.858 3.858 4.354 -0.496 19654 11288 1 15 . 1 1 136 136 TRP CA C 136 62.373 62.373 59.634 2.739 19654 11289 1 15 . 1 1 136 136 TRP CB C 136 28.807 28.807 29.335 -0.528 19654 11290 1 15 . 1 1 136 136 TRP H H 136 7.844 7.844 7.623 0.221 19654 11291 1 15 . 1 1 137 137 LEU N N 137 117.395 117.395 119.185 -1.790 19654 11292 1 15 . 1 1 137 137 LEU HA H 137 3.461 3.461 3.885 -0.424 19654 11293 1 15 . 1 1 137 137 LEU CA C 137 58.325 58.325 58.207 0.118 19654 11294 1 15 . 1 1 137 137 LEU CB C 137 42.979 42.979 41.382 1.597 19654 11295 1 15 . 1 1 137 137 LEU H H 137 8.623 8.623 8.566 0.057 19654 11296 1 15 . 1 1 138 138 VAL N N 138 118.341 118.341 118.014 0.327 19654 11297 1 15 . 1 1 138 138 VAL HA H 138 3.586 3.586 3.852 -0.266 19654 11298 1 15 . 1 1 138 138 VAL CA C 138 66.501 66.501 65.409 1.092 19654 11299 1 15 . 1 1 138 138 VAL CB C 138 31.588 31.588 31.754 -0.166 19654 11300 1 15 . 1 1 138 138 VAL H H 138 8.631 8.631 7.596 1.035 19654 11301 1 15 . 1 1 139 139 LYS N N 139 122.096 122.096 120.460 1.636 19654 11302 1 15 . 1 1 139 139 LYS HA H 139 3.941 3.941 4.128 -0.187 19654 11303 1 15 . 1 1 139 139 LYS CA C 139 58.925 58.925 58.649 0.276 19654 11304 1 15 . 1 1 139 139 LYS CB C 139 31.752 31.752 32.239 -0.487 19654 11305 1 15 . 1 1 139 139 LYS H H 139 7.695 7.695 8.318 -0.623 19654 11306 1 15 . 1 1 140 140 GLN N N 140 115.416 115.416 115.975 -0.559 19654 11307 1 15 . 1 1 140 140 GLN HA H 140 3.970 3.970 4.633 -0.663 19654 11308 1 15 . 1 1 140 140 GLN CA C 140 54.309 54.309 54.218 0.091 19654 11309 1 15 . 1 1 140 140 GLN CB C 140 27.174 27.174 29.554 -2.380 19654 11310 1 15 . 1 1 140 140 GLN H H 140 7.344 7.344 7.947 -0.603 19654 11311 1 15 . 1 1 141 141 ARG N N 141 110.160 110.160 116.692 -6.532 19654 11312 1 15 . 1 1 141 141 ARG HA H 141 3.899 3.899 3.975 -0.076 19654 11313 1 15 . 1 1 141 141 ARG CA C 141 57.400 57.400 56.436 0.964 19654 11314 1 15 . 1 1 141 141 ARG CB C 141 25.640 25.640 27.634 -1.994 19654 11315 1 15 . 1 1 141 141 ARG H H 141 7.677 7.677 7.239 0.438 19654 11316 1 15 . 1 1 142 142 GLY N N 142 107.741 107.741 108.139 -0.398 19654 11317 1 15 . 1 1 142 142 GLY CA C 142 45.633 45.633 46.588 -0.955 19654 11318 1 15 . 1 1 142 142 GLY H H 142 8.931 8.931 8.622 0.309 19654 11319 1 15 . 1 1 143 143 TRP N N 143 123.871 123.871 120.028 3.843 19654 11320 1 15 . 1 1 143 143 TRP HA H 143 4.273 4.273 4.524 -0.251 19654 11321 1 15 . 1 1 143 143 TRP CA C 143 59.317 59.317 57.955 1.362 19654 11322 1 15 . 1 1 143 143 TRP CB C 143 28.435 28.435 29.453 -1.018 19654 11323 1 15 . 1 1 143 143 TRP H H 143 9.004 9.004 7.735 1.269 19654 11324 1 15 . 1 1 144 144 ASP N N 144 119.481 119.481 121.229 -1.748 19654 11325 1 15 . 1 1 144 144 ASP HA H 144 4.553 4.553 4.582 -0.029 19654 11326 1 15 . 1 1 144 144 ASP CA C 144 57.825 57.825 57.961 -0.136 19654 11327 1 15 . 1 1 144 144 ASP CB C 144 40.435 40.435 40.919 -0.484 19654 11328 1 15 . 1 1 144 144 ASP H H 144 8.071 8.071 7.748 0.323 19654 11329 1 15 . 1 1 145 145 GLY N N 145 109.653 109.653 108.567 1.086 19654 11330 1 15 . 1 1 145 145 GLY CA C 145 46.856 46.856 47.101 -0.245 19654 11331 1 15 . 1 1 145 145 GLY H H 145 7.493 7.493 8.572 -1.079 19654 11332 1 15 . 1 1 146 146 PHE N N 146 124.053 124.053 121.647 2.406 19654 11333 1 15 . 1 1 146 146 PHE HA H 146 2.455 2.455 3.973 -1.518 19654 11334 1 15 . 1 1 146 146 PHE CA C 146 60.349 60.349 60.512 -0.163 19654 11335 1 15 . 1 1 146 146 PHE CB C 146 38.607 38.607 39.162 -0.555 19654 11336 1 15 . 1 1 146 146 PHE H H 146 7.257 7.257 7.886 -0.629 19654 11337 1 15 . 1 1 147 147 VAL N N 147 116.525 116.525 117.960 -1.435 19654 11338 1 15 . 1 1 147 147 VAL HA H 147 3.298 3.298 3.283 0.015 19654 11339 1 15 . 1 1 147 147 VAL CA C 147 66.080 66.080 65.948 0.132 19654 11340 1 15 . 1 1 147 147 VAL CB C 147 31.904 31.904 31.128 0.776 19654 11341 1 15 . 1 1 147 147 VAL H H 147 7.700 7.700 7.477 0.223 19654 11342 1 15 . 1 1 148 148 GLU N N 148 118.404 118.404 119.606 -1.202 19654 11343 1 15 . 1 1 148 148 GLU HA H 148 3.985 3.985 4.146 -0.161 19654 11344 1 15 . 1 1 148 148 GLU CA C 148 58.933 58.933 58.974 -0.041 19654 11345 1 15 . 1 1 148 148 GLU CB C 148 29.535 29.535 29.110 0.425 19654 11346 1 15 . 1 1 148 148 GLU H H 148 7.801 7.801 8.230 -0.429 19654 11347 1 15 . 1 1 149 149 PHE N N 149 120.305 120.305 123.757 -3.452 19654 11348 1 15 . 1 1 149 149 PHE HA H 149 3.970 3.970 4.157 -0.187 19654 11349 1 15 . 1 1 149 149 PHE CA C 149 61.341 61.341 61.234 0.107 19654 11350 1 15 . 1 1 149 149 PHE CB C 149 39.011 39.011 39.278 -0.267 19654 11351 1 15 . 1 1 149 149 PHE H H 149 8.358 8.358 8.189 0.169 19654 11352 1 15 . 1 1 150 150 PHE N N 150 112.582 112.582 113.119 -0.537 19654 11353 1 15 . 1 1 150 150 PHE HA H 150 4.255 4.255 4.157 0.098 19654 11354 1 15 . 1 1 150 150 PHE CA C 150 59.075 59.075 58.584 0.491 19654 11355 1 15 . 1 1 150 150 PHE CB C 150 39.487 39.487 38.799 0.688 19654 11356 1 15 . 1 1 150 150 PHE H H 150 6.927 6.927 7.495 -0.568 19654 11357 1 15 . 1 1 151 151 HIS N N 151 118.966 118.966 116.737 2.229 19654 11358 1 15 . 1 1 151 151 HIS HA H 151 4.370 4.370 4.388 -0.018 19654 11359 1 15 . 1 1 151 151 HIS CA C 151 56.788 56.788 56.124 0.664 19654 11360 1 15 . 1 1 151 151 HIS CB C 151 28.827 28.827 27.381 1.446 19654 11361 1 15 . 1 1 151 151 HIS H H 151 7.483 7.483 7.877 -0.394 19654 11362 1 15 . 1 1 152 152 VAL N N 152 120.499 120.499 117.540 2.959 19654 11363 1 15 . 1 1 152 152 VAL HA H 152 3.950 3.950 3.920 0.030 19654 11364 1 15 . 1 1 152 152 VAL CA C 152 62.110 62.110 65.076 -2.966 19654 11365 1 15 . 1 1 152 152 VAL CB C 152 32.593 32.593 32.312 0.281 19654 11366 1 15 . 1 1 152 152 VAL H H 152 8.103 8.103 7.975 0.128 19654 11367 1 15 . 1 1 153 153 GLU N N 153 123.580 123.580 119.026 4.554 19654 11368 1 15 . 1 1 153 153 GLU HA H 153 4.162 4.162 4.399 -0.237 19654 11369 1 15 . 1 1 153 153 GLU CA C 153 56.433 56.433 56.778 -0.345 19654 11370 1 15 . 1 1 153 153 GLU CB C 153 30.101 30.101 30.537 -0.436 19654 11371 1 15 . 1 1 153 153 GLU H H 153 8.446 8.446 8.019 0.427 19654 11372 1 15 . 1 1 154 154 ASP N N 154 120.964 120.964 120.093 0.871 19654 11373 1 15 . 1 1 154 154 ASP HA H 154 4.565 4.565 4.482 0.083 19654 11374 1 15 . 1 1 154 154 ASP CA C 154 54.106 54.106 54.573 -0.467 19654 11375 1 15 . 1 1 154 154 ASP CB C 154 40.836 40.836 41.651 -0.815 19654 11376 1 15 . 1 1 154 154 ASP H H 154 8.325 8.325 8.052 0.273 19654 11377 1 15 . 1 1 155 155 LEU N N 155 122.311 122.311 116.347 5.964 19654 11378 1 15 . 1 1 155 155 LEU HA H 155 4.230 4.230 4.319 -0.089 19654 11379 1 15 . 1 1 155 155 LEU CA C 155 55.340 55.340 54.299 1.041 19654 11380 1 15 . 1 1 155 155 LEU CB C 155 42.094 42.094 40.636 1.458 19654 11381 1 15 . 1 1 155 155 LEU H H 155 8.210 8.210 8.412 -0.202 19654 11382 1 15 . 1 1 156 156 GLU N N 156 120.023 120.023 120.429 -0.406 19654 11383 1 15 . 1 1 156 156 GLU HA H 156 4.218 4.218 4.576 -0.358 19654 11384 1 15 . 1 1 156 156 GLU CA C 156 56.831 56.831 56.685 0.146 19654 11385 1 15 . 1 1 156 156 GLU CB C 156 29.930 29.930 31.953 -2.023 19654 11386 1 15 . 1 1 156 156 GLU H H 156 8.396 8.396 8.992 -0.596 19654 11387 1 15 . 1 1 157 157 GLY N N 157 109.371 109.371 109.614 -0.243 19654 11388 1 15 . 1 1 157 157 GLY CA C 157 45.327 45.327 45.374 -0.047 19654 11389 1 15 . 1 1 157 157 GLY H H 157 8.323 8.323 8.457 -0.134 19654 11390 1 15 . 1 1 158 158 GLY N N 158 108.074 108.074 109.907 -1.833 19654 11391 1 15 . 1 1 158 158 GLY CA C 158 45.061 45.061 44.444 0.617 19654 11392 1 15 . 1 1 158 158 GLY H H 158 8.226 8.226 7.644 0.582 19654 11393 1 15 . 1 1 159 159 HIS N N 159 117.875 117.875 121.315 -3.440 19654 11394 1 15 . 1 1 159 159 HIS HA H 159 4.551 4.551 4.441 0.110 19654 11395 1 15 . 1 1 159 159 HIS CA C 159 55.600 55.600 56.911 -1.311 19654 11396 1 15 . 1 1 159 159 HIS CB C 159 29.800 29.800 28.308 1.492 19654 11397 1 15 . 1 1 159 159 HIS H H 159 8.210 8.210 8.149 0.061 19654 11398 1 15 . 1 1 161 161 HIS N N 161 125.094 125.094 123.641 1.453 19654 11399 1 15 . 1 1 161 161 HIS HA H 161 4.585 4.585 4.600 -0.015 19654 11400 1 15 . 1 1 161 161 HIS H H 161 8.162 8.162 8.331 -0.169 19654 11401 1 16 . 1 1 2 2 GLU HA H 2 4.333 4.333 4.513 -0.180 19654 11402 1 16 . 1 1 2 2 GLU CA C 2 56.183 56.183 55.324 0.859 19654 11403 1 16 . 1 1 2 2 GLU CB C 2 30.150 30.150 30.923 -0.773 19654 11404 1 16 . 1 1 3 3 ASP N N 3 122.553 122.553 120.129 2.424 19654 11405 1 16 . 1 1 3 3 ASP HA H 3 4.729 4.729 4.619 0.110 19654 11406 1 16 . 1 1 3 3 ASP CA C 3 53.659 53.659 53.427 0.232 19654 11407 1 16 . 1 1 3 3 ASP CB C 3 41.319 41.319 43.093 -1.774 19654 11408 1 16 . 1 1 3 3 ASP H H 3 8.437 8.437 8.322 0.115 19654 11409 1 16 . 1 1 4 4 GLU N N 4 125.121 125.121 123.697 1.424 19654 11410 1 16 . 1 1 4 4 GLU HA H 4 4.235 4.235 4.118 0.117 19654 11411 1 16 . 1 1 4 4 GLU CA C 4 58.915 58.915 59.617 -0.702 19654 11412 1 16 . 1 1 4 4 GLU CB C 4 29.274 29.274 29.567 -0.293 19654 11413 1 16 . 1 1 4 4 GLU H H 4 8.726 8.726 8.878 -0.152 19654 11414 1 16 . 1 1 5 5 LEU N N 5 120.976 120.976 119.728 1.248 19654 11415 1 16 . 1 1 5 5 LEU HA H 5 4.517 4.517 4.240 0.277 19654 11416 1 16 . 1 1 5 5 LEU CA C 5 57.939 57.939 57.535 0.404 19654 11417 1 16 . 1 1 5 5 LEU CB C 5 40.917 40.917 41.913 -0.996 19654 11418 1 16 . 1 1 5 5 LEU H H 5 8.381 8.381 8.567 -0.186 19654 11419 1 16 . 1 1 6 6 TYR N N 6 123.977 123.977 119.862 4.115 19654 11420 1 16 . 1 1 6 6 TYR HA H 6 3.865 3.865 4.154 -0.289 19654 11421 1 16 . 1 1 6 6 TYR CA C 6 62.721 62.721 61.929 0.792 19654 11422 1 16 . 1 1 6 6 TYR CB C 6 38.475 38.475 38.234 0.241 19654 11423 1 16 . 1 1 6 6 TYR H H 6 8.342 8.342 7.658 0.684 19654 11424 1 16 . 1 1 7 7 ARG N N 7 118.301 118.301 119.242 -0.941 19654 11425 1 16 . 1 1 7 7 ARG HA H 7 3.828 3.828 4.146 -0.318 19654 11426 1 16 . 1 1 7 7 ARG CA C 7 59.619 59.619 58.834 0.785 19654 11427 1 16 . 1 1 7 7 ARG CB C 7 29.720 29.720 29.774 -0.054 19654 11428 1 16 . 1 1 7 7 ARG H H 7 8.452 8.452 8.720 -0.268 19654 11429 1 16 . 1 1 8 8 GLN N N 8 119.421 119.421 119.541 -0.120 19654 11430 1 16 . 1 1 8 8 GLN HA H 8 3.944 3.944 4.006 -0.062 19654 11431 1 16 . 1 1 8 8 GLN CA C 8 58.827 58.827 59.660 -0.833 19654 11432 1 16 . 1 1 8 8 GLN CB C 8 28.918 28.918 28.585 0.333 19654 11433 1 16 . 1 1 8 8 GLN H H 8 8.894 8.894 8.262 0.632 19654 11434 1 16 . 1 1 9 9 SER N N 9 113.384 113.384 116.891 -3.507 19654 11435 1 16 . 1 1 9 9 SER HA H 9 4.007 4.007 4.070 -0.063 19654 11436 1 16 . 1 1 9 9 SER CA C 9 62.117 62.117 62.086 0.031 19654 11437 1 16 . 1 1 9 9 SER CB C 9 63.544 63.544 63.148 0.396 19654 11438 1 16 . 1 1 9 9 SER H H 9 8.018 8.018 7.910 0.108 19654 11439 1 16 . 1 1 10 10 LEU N N 10 121.112 121.112 124.243 -3.131 19654 11440 1 16 . 1 1 10 10 LEU HA H 10 4.130 4.130 4.147 -0.017 19654 11441 1 16 . 1 1 10 10 LEU CA C 10 57.022 57.022 57.877 -0.855 19654 11442 1 16 . 1 1 10 10 LEU CB C 10 41.146 41.146 41.728 -0.582 19654 11443 1 16 . 1 1 10 10 LEU H H 10 8.599 8.599 8.493 0.106 19654 11444 1 16 . 1 1 11 11 GLU N N 11 120.653 120.653 119.997 0.656 19654 11445 1 16 . 1 1 11 11 GLU HA H 11 3.914 3.914 3.981 -0.067 19654 11446 1 16 . 1 1 11 11 GLU CA C 11 59.627 59.627 59.794 -0.167 19654 11447 1 16 . 1 1 11 11 GLU CB C 11 29.298 29.298 29.688 -0.390 19654 11448 1 16 . 1 1 11 11 GLU H H 11 7.806 7.806 8.191 -0.385 19654 11449 1 16 . 1 1 12 12 ILE N N 12 117.297 117.297 119.889 -2.592 19654 11450 1 16 . 1 1 12 12 ILE HA H 12 3.121 3.121 3.532 -0.411 19654 11451 1 16 . 1 1 12 12 ILE CA C 12 65.774 65.774 65.747 0.027 19654 11452 1 16 . 1 1 12 12 ILE CB C 12 39.143 39.143 37.657 1.486 19654 11453 1 16 . 1 1 12 12 ILE H H 12 7.401 7.401 7.855 -0.454 19654 11454 1 16 . 1 1 13 13 ILE N N 13 117.560 117.560 119.276 -1.716 19654 11455 1 16 . 1 1 13 13 ILE HA H 13 3.302 3.302 3.558 -0.256 19654 11456 1 16 . 1 1 13 13 ILE CA C 13 66.420 66.420 65.657 0.763 19654 11457 1 16 . 1 1 13 13 ILE CB C 13 37.714 37.714 37.512 0.202 19654 11458 1 16 . 1 1 13 13 ILE H H 13 8.378 8.378 8.325 0.053 19654 11459 1 16 . 1 1 14 14 SER N N 14 113.892 113.892 116.195 -2.303 19654 11460 1 16 . 1 1 14 14 SER HA H 14 3.889 3.889 3.998 -0.109 19654 11461 1 16 . 1 1 14 14 SER CA C 14 62.310 62.310 62.097 0.213 19654 11462 1 16 . 1 1 14 14 SER CB C 14 62.282 62.282 63.132 -0.850 19654 11463 1 16 . 1 1 14 14 SER H H 14 9.048 9.048 8.375 0.673 19654 11464 1 16 . 1 1 15 15 ARG N N 15 118.890 118.890 121.146 -2.256 19654 11465 1 16 . 1 1 15 15 ARG HA H 15 4.033 4.033 4.020 0.013 19654 11466 1 16 . 1 1 15 15 ARG CA C 15 59.496 59.496 59.398 0.098 19654 11467 1 16 . 1 1 15 15 ARG CB C 15 29.727 29.727 30.086 -0.359 19654 11468 1 16 . 1 1 15 15 ARG H H 15 7.655 7.655 8.196 -0.541 19654 11469 1 16 . 1 1 16 16 TYR N N 16 119.757 119.757 121.658 -1.901 19654 11470 1 16 . 1 1 16 16 TYR HA H 16 4.146 4.146 4.129 0.017 19654 11471 1 16 . 1 1 16 16 TYR CA C 16 61.265 61.265 60.916 0.349 19654 11472 1 16 . 1 1 16 16 TYR CB C 16 38.495 38.495 38.052 0.443 19654 11473 1 16 . 1 1 16 16 TYR H H 16 8.351 8.351 8.195 0.156 19654 11474 1 16 . 1 1 17 17 LEU N N 17 118.494 118.494 119.145 -0.651 19654 11475 1 16 . 1 1 17 17 LEU HA H 17 3.375 3.375 3.499 -0.124 19654 11476 1 16 . 1 1 17 17 LEU CA C 17 59.627 59.627 58.529 1.098 19654 11477 1 16 . 1 1 17 17 LEU CB C 17 39.949 39.949 41.169 -1.220 19654 11478 1 16 . 1 1 17 17 LEU H H 17 8.578 8.578 8.428 0.150 19654 11479 1 16 . 1 1 18 18 ARG N N 18 115.962 115.962 118.479 -2.517 19654 11480 1 16 . 1 1 18 18 ARG HA H 18 3.858 3.858 3.857 0.001 19654 11481 1 16 . 1 1 18 18 ARG CA C 18 60.233 60.233 59.920 0.313 19654 11482 1 16 . 1 1 18 18 ARG CB C 18 29.993 29.993 30.080 -0.087 19654 11483 1 16 . 1 1 18 18 ARG H H 18 8.044 8.044 7.825 0.219 19654 11484 1 16 . 1 1 19 19 GLU N N 19 120.998 120.998 119.514 1.484 19654 11485 1 16 . 1 1 19 19 GLU HA H 19 4.153 4.153 4.190 -0.037 19654 11486 1 16 . 1 1 19 19 GLU CA C 19 58.857 58.857 58.717 0.140 19654 11487 1 16 . 1 1 19 19 GLU CB C 19 29.661 29.661 28.896 0.765 19654 11488 1 16 . 1 1 19 19 GLU H H 19 8.268 8.268 8.753 -0.485 19654 11489 1 16 . 1 1 20 20 GLN N N 20 119.903 119.903 119.875 0.028 19654 11490 1 16 . 1 1 20 20 GLN HA H 20 3.715 3.715 4.075 -0.360 19654 11491 1 16 . 1 1 20 20 GLN CA C 20 58.008 58.008 58.153 -0.145 19654 11492 1 16 . 1 1 20 20 GLN CB C 20 28.666 28.666 28.147 0.519 19654 11493 1 16 . 1 1 20 20 GLN H H 20 8.193 8.193 8.284 -0.091 19654 11494 1 16 . 1 1 21 21 ALA N N 21 117.771 117.771 120.792 -3.021 19654 11495 1 16 . 1 1 21 21 ALA HA H 21 3.985 3.985 4.174 -0.189 19654 11496 1 16 . 1 1 21 21 ALA CA C 21 54.397 54.397 54.495 -0.098 19654 11497 1 16 . 1 1 21 21 ALA CB C 21 20.022 20.022 18.813 1.209 19654 11498 1 16 . 1 1 21 21 ALA H H 21 7.883 7.883 7.537 0.346 19654 11499 1 16 . 1 1 22 22 THR N N 22 103.721 103.721 108.959 -5.238 19654 11500 1 16 . 1 1 22 22 THR HA H 22 4.279 4.279 4.212 0.067 19654 11501 1 16 . 1 1 22 22 THR CA C 22 62.357 62.357 63.041 -0.684 19654 11502 1 16 . 1 1 22 22 THR CB C 22 71.071 71.071 70.682 0.389 19654 11503 1 16 . 1 1 22 22 THR H H 22 8.024 8.024 8.152 -0.128 19654 11504 1 16 . 1 1 23 23 GLY N N 23 111.610 111.610 111.324 0.286 19654 11505 1 16 . 1 1 23 23 GLY CA C 23 45.574 45.574 45.195 0.379 19654 11506 1 16 . 1 1 23 23 GLY H H 23 8.155 8.155 8.052 0.103 19654 11507 1 16 . 1 1 24 24 ALA N N 24 123.004 123.004 123.301 -0.297 19654 11508 1 16 . 1 1 24 24 ALA HA H 24 4.526 4.526 4.714 -0.188 19654 11509 1 16 . 1 1 24 24 ALA CA C 24 50.763 50.763 51.302 -0.539 19654 11510 1 16 . 1 1 24 24 ALA CB C 24 20.186 20.186 21.090 -0.904 19654 11511 1 16 . 1 1 24 24 ALA H H 24 7.763 7.763 7.624 0.139 19654 11512 1 16 . 1 1 25 25 LYS N N 25 121.392 121.392 122.507 -1.115 19654 11513 1 16 . 1 1 25 25 LYS HA H 25 4.181 4.181 4.231 -0.050 19654 11514 1 16 . 1 1 25 25 LYS CA C 25 55.729 55.729 56.274 -0.545 19654 11515 1 16 . 1 1 25 25 LYS CB C 25 33.175 33.175 32.874 0.301 19654 11516 1 16 . 1 1 25 25 LYS H H 25 8.349 8.349 8.361 -0.012 19654 11517 1 16 . 1 1 26 26 ASP N N 26 124.433 124.433 119.943 4.490 19654 11518 1 16 . 1 1 26 26 ASP HA H 26 4.618 4.618 4.680 -0.062 19654 11519 1 16 . 1 1 26 26 ASP CA C 26 53.735 53.735 54.393 -0.658 19654 11520 1 16 . 1 1 26 26 ASP CB C 26 41.402 41.402 41.315 0.087 19654 11521 1 16 . 1 1 26 26 ASP H H 26 8.803 8.803 8.487 0.316 19654 11522 1 16 . 1 1 27 27 THR N N 27 116.332 116.332 113.842 2.490 19654 11523 1 16 . 1 1 27 27 THR HA H 27 4.249 4.249 4.292 -0.043 19654 11524 1 16 . 1 1 27 27 THR CA C 27 61.268 61.268 62.443 -1.175 19654 11525 1 16 . 1 1 27 27 THR CB C 27 68.993 68.993 68.790 0.203 19654 11526 1 16 . 1 1 27 27 THR H H 27 8.363 8.363 8.361 0.002 19654 11527 1 16 . 1 1 28 28 LYS N N 28 125.551 125.551 121.970 3.581 19654 11528 1 16 . 1 1 28 28 LYS HA H 28 4.437 4.437 4.740 -0.303 19654 11529 1 16 . 1 1 28 28 LYS CA C 28 55.188 55.188 53.571 1.617 19654 11530 1 16 . 1 1 28 28 LYS CB C 28 31.409 31.409 33.099 -1.690 19654 11531 1 16 . 1 1 28 28 LYS H H 28 8.346 8.346 7.649 0.698 19654 11532 1 16 . 1 1 29 29 PRO HA H 29 4.392 4.392 4.392 0.000 19654 11533 1 16 . 1 1 29 29 PRO CA C 29 63.164 63.164 62.738 0.426 19654 11534 1 16 . 1 1 29 29 PRO CB C 29 31.904 31.904 32.186 -0.282 19654 11535 1 16 . 1 1 30 30 MET N N 30 121.136 121.136 118.275 2.861 19654 11536 1 16 . 1 1 30 30 MET HA H 30 4.381 4.381 4.612 -0.231 19654 11537 1 16 . 1 1 30 30 MET CA C 30 55.229 55.229 54.073 1.156 19654 11538 1 16 . 1 1 30 30 MET CB C 30 33.819 33.819 33.599 0.220 19654 11539 1 16 . 1 1 30 30 MET H H 30 8.585 8.585 8.056 0.529 19654 11540 1 16 . 1 1 31 31 GLY N N 31 109.849 109.849 106.080 3.769 19654 11541 1 16 . 1 1 31 31 GLY CA C 31 44.983 44.983 44.207 0.776 19654 11542 1 16 . 1 1 31 31 GLY H H 31 8.930 8.930 8.170 0.760 19654 11543 1 16 . 1 1 32 32 ARG N N 32 121.001 121.001 119.046 1.955 19654 11544 1 16 . 1 1 32 32 ARG HA H 32 4.239 4.239 3.992 0.247 19654 11545 1 16 . 1 1 32 32 ARG CA C 32 56.755 56.755 58.009 -1.254 19654 11546 1 16 . 1 1 32 32 ARG CB C 32 30.110 30.110 29.671 0.439 19654 11547 1 16 . 1 1 32 32 ARG H H 32 8.447 8.447 8.704 -0.257 19654 11548 1 16 . 1 1 33 33 SER N N 33 119.991 119.991 114.057 5.934 19654 11549 1 16 . 1 1 33 33 SER HA H 33 4.386 4.386 4.511 -0.125 19654 11550 1 16 . 1 1 33 33 SER CA C 33 58.502 58.502 59.652 -1.150 19654 11551 1 16 . 1 1 33 33 SER CB C 33 62.609 62.609 63.844 -1.235 19654 11552 1 16 . 1 1 33 33 SER H H 33 8.667 8.667 8.016 0.651 19654 11553 1 16 . 1 1 34 34 GLY N N 34 108.582 108.582 109.389 -0.807 19654 11554 1 16 . 1 1 34 34 GLY CA C 34 46.637 46.637 46.360 0.277 19654 11555 1 16 . 1 1 34 34 GLY H H 34 8.216 8.216 8.203 0.013 19654 11556 1 16 . 1 1 35 35 ALA N N 35 123.445 123.445 126.755 -3.310 19654 11557 1 16 . 1 1 35 35 ALA HA H 35 4.193 4.193 4.048 0.145 19654 11558 1 16 . 1 1 35 35 ALA CA C 35 54.770 54.770 55.392 -0.622 19654 11559 1 16 . 1 1 35 35 ALA CB C 35 18.437 18.437 18.642 -0.205 19654 11560 1 16 . 1 1 35 35 ALA H H 35 8.506 8.506 8.244 0.262 19654 11561 1 16 . 1 1 36 36 THR N N 36 115.716 115.716 113.268 2.448 19654 11562 1 16 . 1 1 36 36 THR HA H 36 3.919 3.919 3.952 -0.033 19654 11563 1 16 . 1 1 36 36 THR CA C 36 67.249 67.249 66.722 0.527 19654 11564 1 16 . 1 1 36 36 THR CB C 36 68.225 68.225 68.409 -0.184 19654 11565 1 16 . 1 1 36 36 THR H H 36 8.262 8.262 8.422 -0.160 19654 11566 1 16 . 1 1 37 37 SER N N 37 117.911 117.911 116.897 1.014 19654 11567 1 16 . 1 1 37 37 SER HA H 37 3.869 3.869 4.181 -0.312 19654 11568 1 16 . 1 1 37 37 SER CA C 37 62.333 62.333 60.916 1.417 19654 11569 1 16 . 1 1 37 37 SER CB C 37 62.333 62.333 62.657 -0.324 19654 11570 1 16 . 1 1 37 37 SER H H 37 8.389 8.389 7.462 0.927 19654 11571 1 16 . 1 1 38 38 ARG N N 38 120.924 120.924 122.206 -1.282 19654 11572 1 16 . 1 1 38 38 ARG HA H 38 3.901 3.901 3.981 -0.080 19654 11573 1 16 . 1 1 38 38 ARG CA C 38 59.923 59.923 59.530 0.393 19654 11574 1 16 . 1 1 38 38 ARG CB C 38 29.759 29.759 30.237 -0.478 19654 11575 1 16 . 1 1 38 38 ARG H H 38 8.278 8.278 8.193 0.085 19654 11576 1 16 . 1 1 39 39 LYS N N 39 119.172 119.172 119.050 0.122 19654 11577 1 16 . 1 1 39 39 LYS HA H 39 4.151 4.151 4.318 -0.167 19654 11578 1 16 . 1 1 39 39 LYS CA C 39 59.086 59.086 59.471 -0.385 19654 11579 1 16 . 1 1 39 39 LYS CB C 39 32.807 32.807 32.244 0.563 19654 11580 1 16 . 1 1 39 39 LYS H H 39 7.930 7.930 8.281 -0.351 19654 11581 1 16 . 1 1 40 40 ALA N N 40 125.586 125.586 122.685 2.901 19654 11582 1 16 . 1 1 40 40 ALA HA H 40 4.175 4.175 4.231 -0.056 19654 11583 1 16 . 1 1 40 40 ALA CA C 40 55.633 55.633 55.128 0.505 19654 11584 1 16 . 1 1 40 40 ALA CB C 40 18.675 18.675 18.307 0.368 19654 11585 1 16 . 1 1 40 40 ALA H H 40 9.192 9.192 8.062 1.130 19654 11586 1 16 . 1 1 41 41 LEU N N 41 120.080 120.080 120.187 -0.107 19654 11587 1 16 . 1 1 41 41 LEU HA H 41 3.930 3.930 3.833 0.097 19654 11588 1 16 . 1 1 41 41 LEU CA C 41 58.169 58.169 57.994 0.175 19654 11589 1 16 . 1 1 41 41 LEU CB C 41 41.683 41.683 41.695 -0.012 19654 11590 1 16 . 1 1 41 41 LEU H H 41 8.209 8.209 7.617 0.592 19654 11591 1 16 . 1 1 42 42 GLU N N 42 117.875 117.875 116.936 0.939 19654 11592 1 16 . 1 1 42 42 GLU HA H 42 3.977 3.977 3.950 0.027 19654 11593 1 16 . 1 1 42 42 GLU CA C 42 59.335 59.335 59.180 0.155 19654 11594 1 16 . 1 1 42 42 GLU CB C 42 29.176 29.176 28.968 0.208 19654 11595 1 16 . 1 1 42 42 GLU H H 42 8.197 8.197 8.581 -0.384 19654 11596 1 16 . 1 1 43 43 THR N N 43 116.912 116.912 117.202 -0.290 19654 11597 1 16 . 1 1 43 43 THR HA H 43 3.793 3.793 4.039 -0.246 19654 11598 1 16 . 1 1 43 43 THR CA C 43 67.517 67.517 66.064 1.454 19654 11599 1 16 . 1 1 43 43 THR CB C 43 68.089 68.089 68.564 -0.475 19654 11600 1 16 . 1 1 43 43 THR H H 43 8.183 8.183 7.764 0.419 19654 11601 1 16 . 1 1 44 44 LEU N N 44 123.099 123.099 121.675 1.424 19654 11602 1 16 . 1 1 44 44 LEU HA H 44 3.699 3.699 3.777 -0.078 19654 11603 1 16 . 1 1 44 44 LEU CA C 44 58.261 58.261 58.056 0.205 19654 11604 1 16 . 1 1 44 44 LEU CB C 44 40.988 40.988 41.166 -0.178 19654 11605 1 16 . 1 1 44 44 LEU H H 44 8.509 8.509 8.255 0.254 19654 11606 1 16 . 1 1 45 45 ARG N N 45 116.885 116.885 116.941 -0.056 19654 11607 1 16 . 1 1 45 45 ARG HA H 45 4.125 4.125 4.204 -0.079 19654 11608 1 16 . 1 1 45 45 ARG CA C 45 59.617 59.617 59.306 0.311 19654 11609 1 16 . 1 1 45 45 ARG CB C 45 30.423 30.423 29.580 0.843 19654 11610 1 16 . 1 1 45 45 ARG H H 45 8.398 8.398 7.871 0.527 19654 11611 1 16 . 1 1 46 46 ARG N N 46 117.297 117.297 120.480 -3.183 19654 11612 1 16 . 1 1 46 46 ARG HA H 46 4.229 4.229 4.140 0.089 19654 11613 1 16 . 1 1 46 46 ARG CA C 46 58.427 58.427 59.027 -0.600 19654 11614 1 16 . 1 1 46 46 ARG CB C 46 30.408 30.408 30.519 -0.111 19654 11615 1 16 . 1 1 46 46 ARG H H 46 7.421 7.421 7.573 -0.152 19654 11616 1 16 . 1 1 47 47 VAL N N 47 114.304 114.304 114.345 -0.041 19654 11617 1 16 . 1 1 47 47 VAL HA H 47 4.094 4.094 4.141 -0.047 19654 11618 1 16 . 1 1 47 47 VAL CA C 47 63.242 63.242 64.827 -1.585 19654 11619 1 16 . 1 1 47 47 VAL CB C 47 32.378 32.378 31.435 0.943 19654 11620 1 16 . 1 1 47 47 VAL H H 47 8.515 8.515 8.167 0.348 19654 11621 1 16 . 1 1 48 48 GLY N N 48 110.132 110.132 109.029 1.103 19654 11622 1 16 . 1 1 48 48 GLY CA C 48 46.588 46.588 47.281 -0.693 19654 11623 1 16 . 1 1 48 48 GLY H H 48 8.890 8.890 8.388 0.502 19654 11624 1 16 . 1 1 49 49 ASP N N 49 121.292 121.292 123.500 -2.208 19654 11625 1 16 . 1 1 49 49 ASP HA H 49 4.456 4.456 4.530 -0.074 19654 11626 1 16 . 1 1 49 49 ASP CA C 49 57.787 57.787 57.816 -0.029 19654 11627 1 16 . 1 1 49 49 ASP CB C 49 40.912 40.912 40.828 0.084 19654 11628 1 16 . 1 1 49 49 ASP H H 49 7.392 7.392 8.027 -0.635 19654 11629 1 16 . 1 1 50 50 GLY N N 50 106.682 106.682 108.253 -1.571 19654 11630 1 16 . 1 1 50 50 GLY CA C 50 46.932 46.932 47.446 -0.514 19654 11631 1 16 . 1 1 50 50 GLY H H 50 8.132 8.132 7.697 0.435 19654 11632 1 16 . 1 1 51 51 VAL N N 51 121.747 121.747 122.618 -0.871 19654 11633 1 16 . 1 1 51 51 VAL HA H 51 3.944 3.944 3.705 0.239 19654 11634 1 16 . 1 1 51 51 VAL CA C 51 66.355 66.355 66.521 -0.166 19654 11635 1 16 . 1 1 51 51 VAL CB C 51 31.594 31.594 31.503 0.091 19654 11636 1 16 . 1 1 51 51 VAL H H 51 7.476 7.476 7.733 -0.257 19654 11637 1 16 . 1 1 52 52 GLN N N 52 118.494 118.494 119.016 -0.522 19654 11638 1 16 . 1 1 52 52 GLN HA H 52 3.913 3.913 4.076 -0.163 19654 11639 1 16 . 1 1 52 52 GLN CA C 52 60.391 60.391 59.511 0.880 19654 11640 1 16 . 1 1 52 52 GLN CB C 52 29.682 29.682 28.800 0.882 19654 11641 1 16 . 1 1 52 52 GLN H H 52 8.439 8.439 8.191 0.248 19654 11642 1 16 . 1 1 53 53 ARG N N 53 116.807 116.807 118.406 -1.599 19654 11643 1 16 . 1 1 53 53 ARG HA H 53 4.163 4.163 4.112 0.051 19654 11644 1 16 . 1 1 53 53 ARG CA C 53 59.086 59.086 59.702 -0.616 19654 11645 1 16 . 1 1 53 53 ARG CB C 53 30.009 30.009 30.220 -0.211 19654 11646 1 16 . 1 1 53 53 ARG H H 53 7.873 7.873 8.399 -0.526 19654 11647 1 16 . 1 1 54 54 ASN N N 54 116.356 116.356 116.118 0.238 19654 11648 1 16 . 1 1 54 54 ASN HA H 54 4.448 4.448 4.647 -0.199 19654 11649 1 16 . 1 1 54 54 ASN CA C 54 54.694 54.694 55.329 -0.635 19654 11650 1 16 . 1 1 54 54 ASN CB C 54 38.302 38.302 38.554 -0.252 19654 11651 1 16 . 1 1 54 54 ASN H H 54 8.123 8.123 7.858 0.265 19654 11652 1 16 . 1 1 55 55 HIS N N 55 114.809 114.809 118.813 -4.004 19654 11653 1 16 . 1 1 55 55 HIS HA H 55 4.504 4.504 4.203 0.301 19654 11654 1 16 . 1 1 55 55 HIS CA C 55 55.949 55.949 57.925 -1.976 19654 11655 1 16 . 1 1 55 55 HIS CB C 55 28.341 28.341 29.709 -1.368 19654 11656 1 16 . 1 1 55 55 HIS H H 55 7.558 7.558 8.444 -0.886 19654 11657 1 16 . 1 1 56 56 GLU N N 56 121.943 121.943 120.662 1.281 19654 11658 1 16 . 1 1 56 56 GLU HA H 56 3.640 3.640 3.770 -0.130 19654 11659 1 16 . 1 1 56 56 GLU CA C 56 61.360 61.360 60.218 1.142 19654 11660 1 16 . 1 1 56 56 GLU CB C 56 30.006 30.006 29.381 0.625 19654 11661 1 16 . 1 1 56 56 GLU H H 56 7.071 7.071 8.298 -1.227 19654 11662 1 16 . 1 1 57 57 THR N N 57 112.827 112.827 113.588 -0.761 19654 11663 1 16 . 1 1 57 57 THR HA H 57 3.984 3.984 4.135 -0.151 19654 11664 1 16 . 1 1 57 57 THR CA C 57 66.247 66.247 65.144 1.103 19654 11665 1 16 . 1 1 57 57 THR CB C 57 68.002 68.002 68.532 -0.530 19654 11666 1 16 . 1 1 57 57 THR H H 57 8.324 8.324 8.317 0.007 19654 11667 1 16 . 1 1 58 58 ALA N N 58 126.520 126.520 124.194 2.326 19654 11668 1 16 . 1 1 58 58 ALA HA H 58 4.147 4.147 4.118 0.029 19654 11669 1 16 . 1 1 58 58 ALA CA C 58 54.707 54.707 54.565 0.142 19654 11670 1 16 . 1 1 58 58 ALA CB C 58 17.734 17.734 18.041 -0.307 19654 11671 1 16 . 1 1 58 58 ALA H H 58 7.910 7.910 7.366 0.544 19654 11672 1 16 . 1 1 59 59 PHE N N 59 119.326 119.326 118.042 1.284 19654 11673 1 16 . 1 1 59 59 PHE HA H 59 4.518 4.518 4.122 0.396 19654 11674 1 16 . 1 1 59 59 PHE CA C 59 56.946 56.946 59.282 -2.336 19654 11675 1 16 . 1 1 59 59 PHE CB C 59 34.583 34.583 37.790 -3.207 19654 11676 1 16 . 1 1 59 59 PHE H H 59 9.017 9.017 8.072 0.945 19654 11677 1 16 . 1 1 60 60 GLN N N 60 119.670 119.670 117.991 1.679 19654 11678 1 16 . 1 1 60 60 GLN HA H 60 4.232 4.232 4.212 0.020 19654 11679 1 16 . 1 1 60 60 GLN CA C 60 59.359 59.359 59.420 -0.061 19654 11680 1 16 . 1 1 60 60 GLN CB C 60 28.009 28.009 27.889 0.120 19654 11681 1 16 . 1 1 60 60 GLN H H 60 8.678 8.678 8.679 -0.001 19654 11682 1 16 . 1 1 61 61 GLY N N 61 106.140 106.140 106.057 0.083 19654 11683 1 16 . 1 1 61 61 GLY CA C 61 47.085 47.085 46.960 0.125 19654 11684 1 16 . 1 1 61 61 GLY H H 61 7.975 7.975 7.911 0.064 19654 11685 1 16 . 1 1 62 62 MET N N 62 120.973 120.973 119.632 1.341 19654 11686 1 16 . 1 1 62 62 MET HA H 62 4.080 4.080 4.458 -0.378 19654 11687 1 16 . 1 1 62 62 MET CA C 62 58.752 58.752 57.504 1.248 19654 11688 1 16 . 1 1 62 62 MET CB C 62 33.824 33.824 33.099 0.725 19654 11689 1 16 . 1 1 62 62 MET H H 62 8.007 8.007 7.645 0.362 19654 11690 1 16 . 1 1 63 63 LEU N N 63 119.043 119.043 122.698 -3.655 19654 11691 1 16 . 1 1 63 63 LEU HA H 63 4.139 4.139 3.989 0.150 19654 11692 1 16 . 1 1 63 63 LEU CA C 63 57.645 57.645 58.397 -0.752 19654 11693 1 16 . 1 1 63 63 LEU CB C 63 42.173 42.173 41.778 0.395 19654 11694 1 16 . 1 1 63 63 LEU H H 63 8.394 8.394 8.852 -0.458 19654 11695 1 16 . 1 1 64 64 ARG N N 64 117.294 117.294 114.273 3.021 19654 11696 1 16 . 1 1 64 64 ARG HA H 64 4.090 4.090 4.133 -0.043 19654 11697 1 16 . 1 1 64 64 ARG CA C 64 58.551 58.551 58.110 0.441 19654 11698 1 16 . 1 1 64 64 ARG CB C 64 29.772 29.772 30.251 -0.479 19654 11699 1 16 . 1 1 64 64 ARG H H 64 7.912 7.912 7.967 -0.055 19654 11700 1 16 . 1 1 65 65 LYS N N 65 116.840 116.840 117.204 -0.364 19654 11701 1 16 . 1 1 65 65 LYS HA H 65 4.165 4.165 4.513 -0.348 19654 11702 1 16 . 1 1 65 65 LYS CA C 65 57.175 57.175 56.685 0.490 19654 11703 1 16 . 1 1 65 65 LYS CB C 65 32.299 32.299 32.416 -0.117 19654 11704 1 16 . 1 1 65 65 LYS H H 65 7.506 7.506 7.742 -0.236 19654 11705 1 16 . 1 1 66 66 LEU N N 66 119.257 119.257 120.627 -1.370 19654 11706 1 16 . 1 1 66 66 LEU HA H 66 4.232 4.232 4.266 -0.034 19654 11707 1 16 . 1 1 66 66 LEU CA C 66 55.442 55.442 56.641 -1.199 19654 11708 1 16 . 1 1 66 66 LEU CB C 66 43.042 43.042 42.809 0.233 19654 11709 1 16 . 1 1 66 66 LEU H H 66 7.736 7.736 7.508 0.228 19654 11710 1 16 . 1 1 67 67 ASP N N 67 119.743 119.743 114.331 5.412 19654 11711 1 16 . 1 1 67 67 ASP HA H 67 4.457 4.457 4.191 0.266 19654 11712 1 16 . 1 1 67 67 ASP CA C 67 53.850 53.850 57.146 -3.296 19654 11713 1 16 . 1 1 67 67 ASP CB C 67 40.195 40.195 40.731 -0.536 19654 11714 1 16 . 1 1 67 67 ASP H H 67 8.068 8.068 8.232 -0.164 19654 11715 1 16 . 1 1 68 68 ILE N N 68 120.055 120.055 117.489 2.566 19654 11716 1 16 . 1 1 68 68 ILE HA H 68 3.870 3.870 3.859 0.011 19654 11717 1 16 . 1 1 68 68 ILE CA C 68 61.524 61.524 62.066 -0.543 19654 11718 1 16 . 1 1 68 68 ILE CB C 68 37.986 37.986 37.001 0.985 19654 11719 1 16 . 1 1 68 68 ILE H H 68 8.275 8.275 8.285 -0.010 19654 11720 1 16 . 1 1 69 69 LYS N N 69 126.186 126.186 122.913 3.273 19654 11721 1 16 . 1 1 69 69 LYS HA H 69 4.481 4.481 4.389 0.092 19654 11722 1 16 . 1 1 69 69 LYS CA C 69 56.304 56.304 56.169 0.135 19654 11723 1 16 . 1 1 69 69 LYS CB C 69 34.136 34.136 33.898 0.238 19654 11724 1 16 . 1 1 69 69 LYS H H 69 9.722 9.722 9.036 0.686 19654 11725 1 16 . 1 1 70 70 ASN N N 70 115.056 115.056 116.889 -1.833 19654 11726 1 16 . 1 1 70 70 ASN HA H 70 4.700 4.700 4.794 -0.094 19654 11727 1 16 . 1 1 70 70 ASN CA C 70 51.977 51.977 52.185 -0.208 19654 11728 1 16 . 1 1 70 70 ASN CB C 70 39.474 39.474 40.195 -0.721 19654 11729 1 16 . 1 1 70 70 ASN H H 70 7.959 7.959 8.188 -0.229 19654 11730 1 16 . 1 1 71 71 GLU N N 71 118.214 118.214 119.420 -1.206 19654 11731 1 16 . 1 1 71 71 GLU HA H 71 3.967 3.967 3.891 0.076 19654 11732 1 16 . 1 1 71 71 GLU CA C 71 59.354 59.354 59.869 -0.515 19654 11733 1 16 . 1 1 71 71 GLU CB C 71 29.520 29.520 29.582 -0.062 19654 11734 1 16 . 1 1 71 71 GLU H H 71 8.831 8.831 8.850 -0.019 19654 11735 1 16 . 1 1 72 72 ASP N N 72 120.319 120.319 119.116 1.203 19654 11736 1 16 . 1 1 72 72 ASP HA H 72 4.422 4.422 4.324 0.098 19654 11737 1 16 . 1 1 72 72 ASP CA C 72 57.036 57.036 57.708 -0.672 19654 11738 1 16 . 1 1 72 72 ASP CB C 72 39.945 39.945 40.730 -0.785 19654 11739 1 16 . 1 1 72 72 ASP H H 72 8.167 8.167 8.673 -0.506 19654 11740 1 16 . 1 1 73 73 ASP N N 73 119.793 119.793 119.475 0.318 19654 11741 1 16 . 1 1 73 73 ASP HA H 73 4.521 4.521 4.389 0.132 19654 11742 1 16 . 1 1 73 73 ASP CA C 73 56.337 56.337 57.265 -0.928 19654 11743 1 16 . 1 1 73 73 ASP CB C 73 41.927 41.927 40.603 1.324 19654 11744 1 16 . 1 1 73 73 ASP H H 73 8.153 8.153 7.810 0.343 19654 11745 1 16 . 1 1 74 74 VAL N N 74 117.572 117.572 120.518 -2.946 19654 11746 1 16 . 1 1 74 74 VAL HA H 74 3.714 3.714 3.599 0.115 19654 11747 1 16 . 1 1 74 74 VAL CA C 74 65.498 65.498 66.558 -1.060 19654 11748 1 16 . 1 1 74 74 VAL CB C 74 31.077 31.077 31.590 -0.513 19654 11749 1 16 . 1 1 74 74 VAL H H 74 7.629 7.629 7.447 0.182 19654 11750 1 16 . 1 1 75 75 LYS N N 75 119.403 119.403 118.849 0.554 19654 11751 1 16 . 1 1 75 75 LYS HA H 75 4.154 4.154 4.079 0.075 19654 11752 1 16 . 1 1 75 75 LYS CA C 75 59.034 59.034 59.145 -0.111 19654 11753 1 16 . 1 1 75 75 LYS CB C 75 31.909 31.909 32.291 -0.382 19654 11754 1 16 . 1 1 75 75 LYS H H 75 7.961 7.961 8.336 -0.375 19654 11755 1 16 . 1 1 76 76 SER N N 76 114.355 114.355 115.888 -1.533 19654 11756 1 16 . 1 1 76 76 SER HA H 76 4.453 4.453 4.234 0.219 19654 11757 1 16 . 1 1 76 76 SER CA C 76 60.061 60.061 61.593 -1.532 19654 11758 1 16 . 1 1 76 76 SER CB C 76 63.023 63.023 63.052 -0.029 19654 11759 1 16 . 1 1 76 76 SER H H 76 7.919 7.919 8.037 -0.118 19654 11760 1 16 . 1 1 77 77 LEU N N 77 121.954 121.954 122.549 -0.595 19654 11761 1 16 . 1 1 77 77 LEU HA H 77 4.230 4.230 3.987 0.243 19654 11762 1 16 . 1 1 77 77 LEU CA C 77 56.764 56.764 57.728 -0.964 19654 11763 1 16 . 1 1 77 77 LEU CB C 77 41.695 41.695 41.362 0.333 19654 11764 1 16 . 1 1 77 77 LEU H H 77 7.883 7.883 8.151 -0.268 19654 11765 1 16 . 1 1 78 78 SER N N 78 115.268 115.268 113.875 1.393 19654 11766 1 16 . 1 1 78 78 SER HA H 78 3.962 3.962 4.025 -0.063 19654 11767 1 16 . 1 1 78 78 SER CA C 78 62.337 62.337 61.550 0.787 19654 11768 1 16 . 1 1 78 78 SER CB C 78 62.218 62.218 62.863 -0.645 19654 11769 1 16 . 1 1 78 78 SER H H 78 8.185 8.185 7.886 0.299 19654 11770 1 16 . 1 1 79 79 ARG N N 79 119.021 119.021 119.902 -0.881 19654 11771 1 16 . 1 1 79 79 ARG HA H 79 4.090 4.090 4.132 -0.042 19654 11772 1 16 . 1 1 79 79 ARG CA C 79 58.849 58.849 58.589 0.260 19654 11773 1 16 . 1 1 79 79 ARG CB C 79 29.930 29.930 29.525 0.405 19654 11774 1 16 . 1 1 79 79 ARG H H 79 7.684 7.684 7.629 0.055 19654 11775 1 16 . 1 1 80 80 VAL N N 80 116.979 116.979 120.692 -3.713 19654 11776 1 16 . 1 1 80 80 VAL HA H 80 3.953 3.953 3.916 0.037 19654 11777 1 16 . 1 1 80 80 VAL CA C 80 64.228 64.228 65.224 -0.996 19654 11778 1 16 . 1 1 80 80 VAL CB C 80 32.210 32.210 31.277 0.933 19654 11779 1 16 . 1 1 80 80 VAL H H 80 7.479 7.479 7.821 -0.342 19654 11780 1 16 . 1 1 81 81 MET N N 81 117.822 117.822 119.348 -1.526 19654 11781 1 16 . 1 1 81 81 MET HA H 81 4.053 4.053 4.027 0.026 19654 11782 1 16 . 1 1 81 81 MET CA C 81 58.322 58.322 57.617 0.704 19654 11783 1 16 . 1 1 81 81 MET CB C 81 32.555 32.555 31.171 1.384 19654 11784 1 16 . 1 1 81 81 MET H H 81 8.104 8.104 8.216 -0.112 19654 11785 1 16 . 1 1 82 82 ILE N N 82 116.348 116.348 118.036 -1.688 19654 11786 1 16 . 1 1 82 82 ILE HA H 82 3.815 3.815 3.572 0.243 19654 11787 1 16 . 1 1 82 82 ILE CA C 82 63.653 63.653 65.175 -1.522 19654 11788 1 16 . 1 1 82 82 ILE CB C 82 37.879 37.879 37.225 0.654 19654 11789 1 16 . 1 1 82 82 ILE H H 82 7.789 7.789 8.384 -0.595 19654 11790 1 16 . 1 1 83 83 HIS N N 83 118.994 118.994 120.003 -1.009 19654 11791 1 16 . 1 1 83 83 HIS HA H 83 4.409 4.409 4.470 -0.061 19654 11792 1 16 . 1 1 83 83 HIS CA C 83 58.245 58.245 59.814 -1.569 19654 11793 1 16 . 1 1 83 83 HIS CB C 83 29.735 29.735 29.729 0.006 19654 11794 1 16 . 1 1 83 83 HIS H H 83 7.543 7.543 7.633 -0.090 19654 11795 1 16 . 1 1 84 84 VAL N N 84 117.112 117.112 120.398 -3.286 19654 11796 1 16 . 1 1 84 84 VAL HA H 84 3.631 3.631 3.764 -0.133 19654 11797 1 16 . 1 1 84 84 VAL CA C 84 64.628 64.628 65.968 -1.340 19654 11798 1 16 . 1 1 84 84 VAL CB C 84 31.904 31.904 31.800 0.104 19654 11799 1 16 . 1 1 84 84 VAL H H 84 7.713 7.713 7.750 -0.037 19654 11800 1 16 . 1 1 85 85 PHE N N 85 115.531 115.531 116.240 -0.709 19654 11801 1 16 . 1 1 85 85 PHE HA H 85 4.733 4.733 4.762 -0.029 19654 11802 1 16 . 1 1 85 85 PHE CA C 85 57.326 57.326 54.826 2.500 19654 11803 1 16 . 1 1 85 85 PHE CB C 85 39.507 39.507 37.571 1.936 19654 11804 1 16 . 1 1 85 85 PHE H H 85 7.743 7.743 7.640 0.103 19654 11805 1 16 . 1 1 86 86 SER N N 86 114.812 114.812 118.428 -3.616 19654 11806 1 16 . 1 1 86 86 SER HA H 86 4.275 4.275 4.543 -0.268 19654 11807 1 16 . 1 1 86 86 SER CA C 86 59.832 59.832 59.361 0.471 19654 11808 1 16 . 1 1 86 86 SER CB C 86 63.482 63.482 62.105 1.377 19654 11809 1 16 . 1 1 86 86 SER H H 86 7.634 7.634 7.924 -0.290 19654 11810 1 16 . 1 1 87 87 ASP N N 87 120.986 120.986 119.305 1.681 19654 11811 1 16 . 1 1 87 87 ASP HA H 87 4.491 4.491 4.739 -0.248 19654 11812 1 16 . 1 1 87 87 ASP CA C 87 54.032 54.032 54.239 -0.207 19654 11813 1 16 . 1 1 87 87 ASP CB C 87 40.411 40.411 43.501 -3.090 19654 11814 1 16 . 1 1 87 87 ASP H H 87 8.043 8.043 7.872 0.171 19654 11815 1 16 . 1 1 88 88 GLY N N 88 108.171 108.171 108.077 0.094 19654 11816 1 16 . 1 1 88 88 GLY CA C 88 44.981 44.981 44.470 0.511 19654 11817 1 16 . 1 1 88 88 GLY H H 88 8.163 8.163 8.351 -0.188 19654 11818 1 16 . 1 1 89 89 VAL N N 89 121.716 121.716 119.816 1.900 19654 11819 1 16 . 1 1 89 89 VAL HA H 89 3.879 3.879 4.067 -0.188 19654 11820 1 16 . 1 1 89 89 VAL CA C 89 62.471 62.471 61.135 1.336 19654 11821 1 16 . 1 1 89 89 VAL CB C 89 32.418 32.418 32.009 0.409 19654 11822 1 16 . 1 1 89 89 VAL H H 89 7.886 7.886 8.074 -0.188 19654 11823 1 16 . 1 1 90 90 THR N N 90 121.669 121.669 117.213 4.456 19654 11824 1 16 . 1 1 90 90 THR HA H 90 3.657 3.657 3.968 -0.311 19654 11825 1 16 . 1 1 90 90 THR CA C 90 62.473 62.473 61.701 0.772 19654 11826 1 16 . 1 1 90 90 THR CB C 90 68.528 68.528 67.713 0.815 19654 11827 1 16 . 1 1 90 90 THR H H 90 8.201 8.201 8.158 0.043 19654 11828 1 16 . 1 1 91 91 ASN HA H 91 4.162 4.162 4.625 -0.463 19654 11829 1 16 . 1 1 91 91 ASN CA C 91 51.748 51.748 52.450 -0.702 19654 11830 1 16 . 1 1 91 91 ASN CB C 91 39.645 39.645 41.656 -2.011 19654 11831 1 16 . 1 1 91 91 ASN H H 91 8.826 8.826 7.701 1.125 19654 11832 1 16 . 1 1 92 92 TRP N N 92 118.437 118.437 123.952 -5.515 19654 11833 1 16 . 1 1 92 92 TRP HA H 92 4.739 4.739 4.183 0.556 19654 11834 1 16 . 1 1 92 92 TRP CA C 92 60.233 60.233 58.800 1.433 19654 11835 1 16 . 1 1 92 92 TRP CB C 92 30.167 30.167 29.443 0.724 19654 11836 1 16 . 1 1 92 92 TRP H H 92 8.942 8.942 7.813 1.129 19654 11837 1 16 . 1 1 93 93 GLY N N 93 108.154 108.154 107.122 1.032 19654 11838 1 16 . 1 1 93 93 GLY CA C 93 47.544 47.544 47.218 0.326 19654 11839 1 16 . 1 1 93 93 GLY H H 93 8.697 8.697 8.559 0.138 19654 11840 1 16 . 1 1 94 94 ARG N N 94 122.547 122.547 121.231 1.316 19654 11841 1 16 . 1 1 94 94 ARG HA H 94 4.072 4.072 4.326 -0.254 19654 11842 1 16 . 1 1 94 94 ARG CA C 94 58.556 58.556 58.134 0.422 19654 11843 1 16 . 1 1 94 94 ARG CB C 94 30.201 30.201 29.707 0.494 19654 11844 1 16 . 1 1 94 94 ARG H H 94 8.353 8.353 7.645 0.708 19654 11845 1 16 . 1 1 95 95 ILE N N 95 120.130 120.130 120.420 -0.290 19654 11846 1 16 . 1 1 95 95 ILE HA H 95 3.708 3.708 4.242 -0.534 19654 11847 1 16 . 1 1 95 95 ILE CA C 95 65.511 65.511 63.970 1.541 19654 11848 1 16 . 1 1 95 95 ILE CB C 95 37.486 37.486 36.909 0.577 19654 11849 1 16 . 1 1 95 95 ILE H H 95 7.545 7.545 7.686 -0.141 19654 11850 1 16 . 1 1 96 96 VAL N N 96 119.403 119.403 120.310 -0.907 19654 11851 1 16 . 1 1 96 96 VAL HA H 96 3.723 3.723 3.725 -0.002 19654 11852 1 16 . 1 1 96 96 VAL CA C 96 67.249 67.249 66.963 0.286 19654 11853 1 16 . 1 1 96 96 VAL CB C 96 31.001 31.001 30.603 0.398 19654 11854 1 16 . 1 1 96 96 VAL H H 96 8.990 8.990 8.895 0.095 19654 11855 1 16 . 1 1 97 97 THR N N 97 122.016 122.016 117.386 4.630 19654 11856 1 16 . 1 1 97 97 THR HA H 97 3.784 3.784 4.001 -0.217 19654 11857 1 16 . 1 1 97 97 THR CA C 97 68.159 68.159 67.491 0.668 19654 11858 1 16 . 1 1 97 97 THR CB C 97 67.212 67.212 68.607 -1.395 19654 11859 1 16 . 1 1 97 97 THR H H 97 8.605 8.605 8.270 0.335 19654 11860 1 16 . 1 1 98 98 LEU N N 98 122.476 122.476 123.257 -0.781 19654 11861 1 16 . 1 1 98 98 LEU HA H 98 3.805 3.805 4.094 -0.289 19654 11862 1 16 . 1 1 98 98 LEU CA C 98 58.818 58.818 58.406 0.412 19654 11863 1 16 . 1 1 98 98 LEU CB C 98 41.158 41.158 41.802 -0.644 19654 11864 1 16 . 1 1 98 98 LEU H H 98 7.769 7.769 7.858 -0.089 19654 11865 1 16 . 1 1 99 99 ILE N N 99 117.997 117.997 118.122 -0.125 19654 11866 1 16 . 1 1 99 99 ILE HA H 99 3.509 3.509 3.635 -0.126 19654 11867 1 16 . 1 1 99 99 ILE CA C 99 66.261 66.261 65.758 0.503 19654 11868 1 16 . 1 1 99 99 ILE CB C 99 38.350 38.350 37.461 0.889 19654 11869 1 16 . 1 1 99 99 ILE H H 99 8.175 8.175 7.984 0.191 19654 11870 1 16 . 1 1 100 100 SER N N 100 116.934 116.934 116.413 0.521 19654 11871 1 16 . 1 1 100 100 SER HA H 100 4.447 4.447 4.471 -0.024 19654 11872 1 16 . 1 1 100 100 SER CA C 100 63.290 63.290 61.924 1.366 19654 11873 1 16 . 1 1 100 100 SER CB C 100 62.867 62.867 63.387 -0.520 19654 11874 1 16 . 1 1 100 100 SER H H 100 8.989 8.989 8.672 0.317 19654 11875 1 16 . 1 1 101 101 PHE N N 101 124.640 124.640 122.077 2.563 19654 11876 1 16 . 1 1 101 101 PHE HA H 101 3.420 3.420 3.950 -0.530 19654 11877 1 16 . 1 1 101 101 PHE CA C 101 60.499 60.499 59.465 1.034 19654 11878 1 16 . 1 1 101 101 PHE CB C 101 37.333 37.333 38.427 -1.094 19654 11879 1 16 . 1 1 101 101 PHE H H 101 8.513 8.513 8.462 0.051 19654 11880 1 16 . 1 1 102 102 GLY N N 102 106.116 106.116 107.132 -1.016 19654 11881 1 16 . 1 1 102 102 GLY CA C 102 48.166 48.166 47.011 1.155 19654 11882 1 16 . 1 1 102 102 GLY H H 102 8.111 8.111 8.329 -0.218 19654 11883 1 16 . 1 1 103 103 ALA N N 103 124.560 124.560 124.505 0.055 19654 11884 1 16 . 1 1 103 103 ALA HA H 103 3.780 3.780 3.817 -0.037 19654 11885 1 16 . 1 1 103 103 ALA CA C 103 55.646 55.646 54.583 1.063 19654 11886 1 16 . 1 1 103 103 ALA CB C 103 18.476 18.476 18.281 0.195 19654 11887 1 16 . 1 1 103 103 ALA H H 103 8.437 8.437 8.020 0.417 19654 11888 1 16 . 1 1 104 104 PHE N N 104 120.981 120.981 120.071 0.910 19654 11889 1 16 . 1 1 104 104 PHE HA H 104 3.989 3.989 4.173 -0.184 19654 11890 1 16 . 1 1 104 104 PHE CA C 104 62.258 62.258 61.565 0.693 19654 11891 1 16 . 1 1 104 104 PHE CB C 104 39.949 39.949 39.516 0.434 19654 11892 1 16 . 1 1 104 104 PHE H H 104 8.213 8.213 8.194 0.019 19654 11893 1 16 . 1 1 105 105 VAL N N 105 120.473 120.473 119.005 1.468 19654 11894 1 16 . 1 1 105 105 VAL HA H 105 3.236 3.236 3.457 -0.221 19654 11895 1 16 . 1 1 105 105 VAL CA C 105 66.348 66.348 66.510 -0.162 19654 11896 1 16 . 1 1 105 105 VAL CB C 105 30.720 30.720 30.934 -0.214 19654 11897 1 16 . 1 1 105 105 VAL H H 105 8.513 8.513 8.242 0.271 19654 11898 1 16 . 1 1 106 106 ALA N N 106 123.948 123.948 123.105 0.843 19654 11899 1 16 . 1 1 106 106 ALA HA H 106 3.660 3.660 3.797 -0.137 19654 11900 1 16 . 1 1 106 106 ALA CA C 106 55.607 55.607 55.477 0.130 19654 11901 1 16 . 1 1 106 106 ALA CB C 106 18.003 18.003 17.964 0.039 19654 11902 1 16 . 1 1 106 106 ALA H H 106 8.807 8.807 8.205 0.602 19654 11903 1 16 . 1 1 107 107 LYS N N 107 115.836 115.836 118.020 -2.184 19654 11904 1 16 . 1 1 107 107 LYS HA H 107 3.733 3.733 3.802 -0.069 19654 11905 1 16 . 1 1 107 107 LYS CA C 107 60.462 60.462 59.877 0.585 19654 11906 1 16 . 1 1 107 107 LYS CB C 107 31.907 31.907 32.086 -0.179 19654 11907 1 16 . 1 1 107 107 LYS H H 107 7.934 7.934 7.680 0.254 19654 11908 1 16 . 1 1 108 108 HIS N N 108 120.459 120.459 119.410 1.049 19654 11909 1 16 . 1 1 108 108 HIS HA H 108 4.212 4.212 4.246 -0.034 19654 11910 1 16 . 1 1 108 108 HIS CA C 108 59.623 59.623 59.658 -0.035 19654 11911 1 16 . 1 1 108 108 HIS CB C 108 29.838 29.838 29.787 0.051 19654 11912 1 16 . 1 1 108 108 HIS H H 108 7.254 7.254 7.328 -0.074 19654 11913 1 16 . 1 1 109 109 LEU N N 109 118.336 118.336 120.327 -1.991 19654 11914 1 16 . 1 1 109 109 LEU HA H 109 3.640 3.640 3.875 -0.235 19654 11915 1 16 . 1 1 109 109 LEU CA C 109 56.945 56.945 58.073 -1.128 19654 11916 1 16 . 1 1 109 109 LEU CB C 109 39.709 39.709 41.788 -2.079 19654 11917 1 16 . 1 1 109 109 LEU H H 109 8.709 8.709 8.675 0.034 19654 11918 1 16 . 1 1 110 110 LYS N N 110 118.036 118.036 119.110 -1.074 19654 11919 1 16 . 1 1 110 110 LYS HA H 110 3.944 3.944 3.908 0.036 19654 11920 1 16 . 1 1 110 110 LYS CA C 110 58.967 58.967 59.800 -0.833 19654 11921 1 16 . 1 1 110 110 LYS CB C 110 32.220 32.220 32.237 -0.017 19654 11922 1 16 . 1 1 110 110 LYS H H 110 7.752 7.752 8.421 -0.669 19654 11923 1 16 . 1 1 111 111 THR N N 111 115.985 115.985 116.769 -0.784 19654 11924 1 16 . 1 1 111 111 THR HA H 111 3.990 3.990 3.985 0.005 19654 11925 1 16 . 1 1 111 111 THR CA C 111 65.921 65.921 66.327 -0.406 19654 11926 1 16 . 1 1 111 111 THR CB C 111 68.611 68.611 68.821 -0.210 19654 11927 1 16 . 1 1 111 111 THR H H 111 7.832 7.832 7.752 0.080 19654 11928 1 16 . 1 1 112 112 ILE N N 112 112.606 112.606 114.645 -2.039 19654 11929 1 16 . 1 1 112 112 ILE HA H 112 4.454 4.454 4.239 0.215 19654 11930 1 16 . 1 1 112 112 ILE CA C 112 60.922 60.922 61.053 -0.131 19654 11931 1 16 . 1 1 112 112 ILE CB C 112 36.813 36.813 37.327 -0.514 19654 11932 1 16 . 1 1 112 112 ILE H H 112 7.262 7.262 7.572 -0.310 19654 11933 1 16 . 1 1 113 113 ASN N N 113 116.297 116.297 115.729 0.568 19654 11934 1 16 . 1 1 113 113 ASN HA H 113 4.576 4.576 4.317 0.259 19654 11935 1 16 . 1 1 113 113 ASN CA C 113 54.653 54.653 54.837 -0.184 19654 11936 1 16 . 1 1 113 113 ASN CB C 113 36.497 36.497 36.596 -0.099 19654 11937 1 16 . 1 1 113 113 ASN H H 113 7.816 7.816 7.815 0.001 19654 11938 1 16 . 1 1 114 114 GLN N N 114 117.958 117.958 117.046 0.912 19654 11939 1 16 . 1 1 114 114 GLN HA H 114 4.739 4.739 4.302 0.437 19654 11940 1 16 . 1 1 114 114 GLN CA C 114 54.079 54.079 55.233 -1.154 19654 11941 1 16 . 1 1 114 114 GLN CB C 114 28.840 28.840 27.192 1.648 19654 11942 1 16 . 1 1 114 114 GLN H H 114 8.522 8.522 8.230 0.291 19654 11943 1 16 . 1 1 115 115 GLU N N 115 120.597 120.597 120.331 0.266 19654 11944 1 16 . 1 1 115 115 GLU HA H 115 3.646 3.646 3.999 -0.353 19654 11945 1 16 . 1 1 115 115 GLU CA C 115 59.569 59.569 59.532 0.037 19654 11946 1 16 . 1 1 115 115 GLU CB C 115 29.061 29.061 29.402 -0.341 19654 11947 1 16 . 1 1 115 115 GLU H H 115 8.881 8.881 7.446 1.435 19654 11948 1 16 . 1 1 116 116 SER N N 116 115.352 115.352 113.550 1.802 19654 11949 1 16 . 1 1 116 116 SER HA H 116 4.250 4.250 4.304 -0.054 19654 11950 1 16 . 1 1 116 116 SER CA C 116 60.593 60.593 61.265 -0.672 19654 11951 1 16 . 1 1 116 116 SER CB C 116 62.231 62.231 62.973 -0.742 19654 11952 1 16 . 1 1 116 116 SER H H 116 8.702 8.702 8.473 0.229 19654 11953 1 16 . 1 1 117 117 SER N N 117 116.944 116.944 118.152 -1.208 19654 11954 1 16 . 1 1 117 117 SER HA H 117 4.461 4.461 4.185 0.276 19654 11955 1 16 . 1 1 117 117 SER CA C 117 60.219 60.219 61.570 -1.351 19654 11956 1 16 . 1 1 117 117 SER CB C 117 64.116 64.116 62.822 1.294 19654 11957 1 16 . 1 1 117 117 SER H H 117 7.963 7.963 7.783 0.180 19654 11958 1 16 . 1 1 118 118 ILE N N 118 122.505 122.505 121.294 1.211 19654 11959 1 16 . 1 1 118 118 ILE HA H 118 3.419 3.419 3.544 -0.125 19654 11960 1 16 . 1 1 118 118 ILE CA C 118 66.227 66.227 65.047 1.180 19654 11961 1 16 . 1 1 118 118 ILE CB C 118 36.723 36.723 37.544 -0.820 19654 11962 1 16 . 1 1 118 118 ILE H H 118 7.945 7.945 7.397 0.548 19654 11963 1 16 . 1 1 119 119 GLU N N 119 119.604 119.604 119.651 -0.047 19654 11964 1 16 . 1 1 119 119 GLU HA H 119 4.244 4.244 4.159 0.085 19654 11965 1 16 . 1 1 119 119 GLU CA C 119 61.540 61.540 61.194 0.346 19654 11966 1 16 . 1 1 119 119 GLU CB C 119 26.092 26.092 27.780 -1.688 19654 11967 1 16 . 1 1 119 119 GLU H H 119 8.244 8.244 8.022 0.222 19654 11968 1 16 . 1 1 120 120 PRO HA H 120 4.446 4.446 4.563 -0.117 19654 11969 1 16 . 1 1 120 120 PRO CA C 120 65.583 65.583 65.302 0.281 19654 11970 1 16 . 1 1 120 120 PRO CB C 120 30.167 30.167 31.525 -1.358 19654 11971 1 16 . 1 1 121 121 LEU N N 121 120.974 120.974 120.364 0.610 19654 11972 1 16 . 1 1 121 121 LEU HA H 121 3.990 3.990 4.025 -0.035 19654 11973 1 16 . 1 1 121 121 LEU CA C 121 58.436 58.436 57.817 0.619 19654 11974 1 16 . 1 1 121 121 LEU CB C 121 40.988 40.988 41.640 -0.652 19654 11975 1 16 . 1 1 121 121 LEU H H 121 7.587 7.587 7.903 -0.316 19654 11976 1 16 . 1 1 122 122 ALA N N 122 121.982 121.982 121.047 0.935 19654 11977 1 16 . 1 1 122 122 ALA HA H 122 3.743 3.743 3.864 -0.121 19654 11978 1 16 . 1 1 122 122 ALA CA C 122 55.233 55.233 55.269 -0.036 19654 11979 1 16 . 1 1 122 122 ALA CB C 122 17.687 17.687 17.883 -0.196 19654 11980 1 16 . 1 1 122 122 ALA H H 122 8.593 8.593 8.301 0.292 19654 11981 1 16 . 1 1 123 123 GLU N N 123 120.516 120.516 118.791 1.725 19654 11982 1 16 . 1 1 123 123 GLU HA H 123 3.862 3.862 3.983 -0.121 19654 11983 1 16 . 1 1 123 123 GLU CA C 123 59.995 59.995 59.551 0.444 19654 11984 1 16 . 1 1 123 123 GLU CB C 123 29.298 29.298 29.615 -0.317 19654 11985 1 16 . 1 1 123 123 GLU H H 123 8.568 8.568 8.093 0.475 19654 11986 1 16 . 1 1 124 124 SER N N 124 116.054 116.054 116.306 -0.252 19654 11987 1 16 . 1 1 124 124 SER HA H 124 4.367 4.367 4.190 0.177 19654 11988 1 16 . 1 1 124 124 SER CA C 124 62.240 62.240 62.618 -0.378 19654 11989 1 16 . 1 1 124 124 SER CB C 124 63.074 63.074 62.925 0.149 19654 11990 1 16 . 1 1 124 124 SER H H 124 8.282 8.282 8.012 0.270 19654 11991 1 16 . 1 1 125 125 ILE N N 125 120.575 120.575 121.769 -1.194 19654 11992 1 16 . 1 1 125 125 ILE HA H 125 3.627 3.627 3.700 -0.073 19654 11993 1 16 . 1 1 125 125 ILE CA C 125 64.655 64.655 64.570 0.085 19654 11994 1 16 . 1 1 125 125 ILE CB C 125 37.413 37.413 36.763 0.650 19654 11995 1 16 . 1 1 125 125 ILE H H 125 8.343 8.343 8.471 -0.128 19654 11996 1 16 . 1 1 126 126 THR N N 126 116.459 116.459 115.419 1.040 19654 11997 1 16 . 1 1 126 126 THR HA H 126 3.482 3.482 3.893 -0.411 19654 11998 1 16 . 1 1 126 126 THR CA C 126 68.679 68.679 67.002 1.677 19654 11999 1 16 . 1 1 126 126 THR CB C 126 67.075 67.075 67.748 -0.673 19654 12000 1 16 . 1 1 126 126 THR H H 126 8.056 8.056 8.017 0.039 19654 12001 1 16 . 1 1 127 127 ASP N N 127 120.236 120.236 122.362 -2.126 19654 12002 1 16 . 1 1 127 127 ASP HA H 127 4.481 4.481 4.686 -0.205 19654 12003 1 16 . 1 1 127 127 ASP CA C 127 58.322 58.322 57.978 0.343 19654 12004 1 16 . 1 1 127 127 ASP CB C 127 41.822 41.822 41.181 0.641 19654 12005 1 16 . 1 1 127 127 ASP H H 127 8.813 8.813 8.200 0.613 19654 12006 1 16 . 1 1 128 128 VAL N N 128 116.904 116.904 119.442 -2.538 19654 12007 1 16 . 1 1 128 128 VAL HA H 128 3.677 3.677 3.800 -0.123 19654 12008 1 16 . 1 1 128 128 VAL CA C 128 66.346 66.346 65.838 0.508 19654 12009 1 16 . 1 1 128 128 VAL CB C 128 31.351 31.351 31.151 0.201 19654 12010 1 16 . 1 1 128 128 VAL H H 128 7.949 7.949 8.082 -0.133 19654 12011 1 16 . 1 1 129 129 LEU N N 129 121.043 121.043 121.768 -0.725 19654 12012 1 16 . 1 1 129 129 LEU HA H 129 3.819 3.819 4.335 -0.516 19654 12013 1 16 . 1 1 129 129 LEU CA C 129 58.742 58.742 58.336 0.406 19654 12014 1 16 . 1 1 129 129 LEU CB C 129 42.370 42.370 42.072 0.298 19654 12015 1 16 . 1 1 129 129 LEU H H 129 8.198 8.198 7.870 0.328 19654 12016 1 16 . 1 1 130 130 VAL N N 130 114.370 114.370 116.884 -2.514 19654 12017 1 16 . 1 1 130 130 VAL HA H 130 3.525 3.525 3.634 -0.109 19654 12018 1 16 . 1 1 130 130 VAL CA C 130 66.004 66.004 65.292 0.712 19654 12019 1 16 . 1 1 130 130 VAL CB C 130 31.320 31.320 31.607 -0.287 19654 12020 1 16 . 1 1 130 130 VAL H H 130 8.858 8.858 8.342 0.516 19654 12021 1 16 . 1 1 131 131 ARG N N 131 115.890 115.890 119.880 -3.990 19654 12022 1 16 . 1 1 131 131 ARG HA H 131 4.284 4.284 4.141 0.143 19654 12023 1 16 . 1 1 131 131 ARG CA C 131 59.255 59.255 59.241 0.014 19654 12024 1 16 . 1 1 131 131 ARG CB C 131 30.009 30.009 30.032 -0.023 19654 12025 1 16 . 1 1 131 131 ARG H H 131 8.619 8.619 8.313 0.306 19654 12026 1 16 . 1 1 132 132 THR N N 132 106.654 106.654 108.744 -2.090 19654 12027 1 16 . 1 1 132 132 THR HA H 132 4.464 4.464 4.480 -0.016 19654 12028 1 16 . 1 1 132 132 THR CA C 132 64.081 64.081 62.932 1.149 19654 12029 1 16 . 1 1 132 132 THR CB C 132 69.870 69.870 69.692 0.178 19654 12030 1 16 . 1 1 132 132 THR H H 132 7.530 7.530 7.840 -0.310 19654 12031 1 16 . 1 1 133 133 LYS N N 133 117.426 117.426 122.872 -5.446 19654 12032 1 16 . 1 1 133 133 LYS HA H 133 5.029 5.029 4.617 0.412 19654 12033 1 16 . 1 1 133 133 LYS CA C 133 53.009 53.009 55.559 -2.550 19654 12034 1 16 . 1 1 133 133 LYS CB C 133 31.044 31.044 31.625 -0.581 19654 12035 1 16 . 1 1 133 133 LYS H H 133 7.691 7.691 7.777 -0.086 19654 12036 1 16 . 1 1 134 134 ARG N N 134 120.904 120.904 120.873 0.031 19654 12037 1 16 . 1 1 134 134 ARG HA H 134 3.679 3.679 3.929 -0.250 19654 12038 1 16 . 1 1 134 134 ARG CA C 134 61.456 61.456 59.751 1.705 19654 12039 1 16 . 1 1 134 134 ARG CB C 134 30.261 30.261 29.607 0.654 19654 12040 1 16 . 1 1 134 134 ARG H H 134 7.341 7.341 8.012 -0.671 19654 12041 1 16 . 1 1 135 135 ASP N N 135 114.262 114.262 117.846 -3.584 19654 12042 1 16 . 1 1 135 135 ASP HA H 135 4.238 4.238 4.353 -0.115 19654 12043 1 16 . 1 1 135 135 ASP CA C 135 57.595 57.595 56.710 0.885 19654 12044 1 16 . 1 1 135 135 ASP CB C 135 39.961 39.961 39.384 0.577 19654 12045 1 16 . 1 1 135 135 ASP H H 135 8.386 8.386 8.741 -0.355 19654 12046 1 16 . 1 1 136 136 TRP N N 136 121.564 121.564 121.364 0.200 19654 12047 1 16 . 1 1 136 136 TRP HA H 136 3.858 3.858 4.384 -0.526 19654 12048 1 16 . 1 1 136 136 TRP CA C 136 62.373 62.373 60.212 2.161 19654 12049 1 16 . 1 1 136 136 TRP CB C 136 28.807 28.807 29.204 -0.397 19654 12050 1 16 . 1 1 136 136 TRP H H 136 7.844 7.844 7.797 0.047 19654 12051 1 16 . 1 1 137 137 LEU N N 137 117.395 117.395 119.516 -2.121 19654 12052 1 16 . 1 1 137 137 LEU HA H 137 3.461 3.461 3.891 -0.430 19654 12053 1 16 . 1 1 137 137 LEU CA C 137 58.325 58.325 58.095 0.230 19654 12054 1 16 . 1 1 137 137 LEU CB C 137 42.979 42.979 41.606 1.373 19654 12055 1 16 . 1 1 137 137 LEU H H 137 8.623 8.623 8.690 -0.067 19654 12056 1 16 . 1 1 138 138 VAL N N 138 118.341 118.341 117.577 0.764 19654 12057 1 16 . 1 1 138 138 VAL HA H 138 3.586 3.586 3.655 -0.069 19654 12058 1 16 . 1 1 138 138 VAL CA C 138 66.501 66.501 65.551 0.950 19654 12059 1 16 . 1 1 138 138 VAL CB C 138 31.588 31.588 31.957 -0.369 19654 12060 1 16 . 1 1 138 138 VAL H H 138 8.631 8.631 7.537 1.094 19654 12061 1 16 . 1 1 139 139 LYS N N 139 122.096 122.096 119.038 3.058 19654 12062 1 16 . 1 1 139 139 LYS HA H 139 3.941 3.941 4.088 -0.147 19654 12063 1 16 . 1 1 139 139 LYS CA C 139 58.925 58.925 58.508 0.417 19654 12064 1 16 . 1 1 139 139 LYS CB C 139 31.752 31.752 32.113 -0.361 19654 12065 1 16 . 1 1 139 139 LYS H H 139 7.695 7.695 8.268 -0.573 19654 12066 1 16 . 1 1 140 140 GLN N N 140 115.416 115.416 115.940 -0.524 19654 12067 1 16 . 1 1 140 140 GLN HA H 140 3.970 3.970 4.534 -0.564 19654 12068 1 16 . 1 1 140 140 GLN CA C 140 54.309 54.309 54.694 -0.385 19654 12069 1 16 . 1 1 140 140 GLN CB C 140 27.174 27.174 29.153 -1.979 19654 12070 1 16 . 1 1 140 140 GLN H H 140 7.344 7.344 8.136 -0.791 19654 12071 1 16 . 1 1 141 141 ARG N N 141 110.160 110.160 115.060 -4.900 19654 12072 1 16 . 1 1 141 141 ARG HA H 141 3.899 3.899 3.892 0.007 19654 12073 1 16 . 1 1 141 141 ARG CA C 141 57.400 57.400 56.708 0.692 19654 12074 1 16 . 1 1 141 141 ARG CB C 141 25.640 25.640 28.070 -2.430 19654 12075 1 16 . 1 1 141 141 ARG H H 141 7.677 7.677 7.344 0.333 19654 12076 1 16 . 1 1 142 142 GLY N N 142 107.741 107.741 106.913 0.828 19654 12077 1 16 . 1 1 142 142 GLY CA C 142 45.633 45.633 46.791 -1.158 19654 12078 1 16 . 1 1 142 142 GLY H H 142 8.931 8.931 8.469 0.462 19654 12079 1 16 . 1 1 143 143 TRP N N 143 123.871 123.871 122.670 1.201 19654 12080 1 16 . 1 1 143 143 TRP HA H 143 4.273 4.273 4.380 -0.107 19654 12081 1 16 . 1 1 143 143 TRP CA C 143 59.317 59.317 58.524 0.793 19654 12082 1 16 . 1 1 143 143 TRP CB C 143 28.435 28.435 29.350 -0.915 19654 12083 1 16 . 1 1 143 143 TRP H H 143 9.004 9.004 7.579 1.425 19654 12084 1 16 . 1 1 144 144 ASP N N 144 119.481 119.481 119.587 -0.106 19654 12085 1 16 . 1 1 144 144 ASP HA H 144 4.553 4.553 4.393 0.160 19654 12086 1 16 . 1 1 144 144 ASP CA C 144 57.825 57.825 58.418 -0.593 19654 12087 1 16 . 1 1 144 144 ASP CB C 144 40.435 40.435 40.315 0.120 19654 12088 1 16 . 1 1 144 144 ASP H H 144 8.071 8.071 8.495 -0.424 19654 12089 1 16 . 1 1 145 145 GLY N N 145 109.653 109.653 107.657 1.996 19654 12090 1 16 . 1 1 145 145 GLY CA C 145 46.856 46.856 46.918 -0.062 19654 12091 1 16 . 1 1 145 145 GLY H H 145 7.493 7.493 7.763 -0.270 19654 12092 1 16 . 1 1 146 146 PHE N N 146 124.053 124.053 122.838 1.215 19654 12093 1 16 . 1 1 146 146 PHE HA H 146 2.455 2.455 3.787 -1.332 19654 12094 1 16 . 1 1 146 146 PHE CA C 146 60.349 60.349 60.501 -0.152 19654 12095 1 16 . 1 1 146 146 PHE CB C 146 38.607 38.607 39.069 -0.462 19654 12096 1 16 . 1 1 146 146 PHE H H 146 7.257 7.257 7.986 -0.729 19654 12097 1 16 . 1 1 147 147 VAL N N 147 116.525 116.525 117.718 -1.193 19654 12098 1 16 . 1 1 147 147 VAL HA H 147 3.298 3.298 3.459 -0.161 19654 12099 1 16 . 1 1 147 147 VAL CA C 147 66.080 66.080 66.094 -0.014 19654 12100 1 16 . 1 1 147 147 VAL CB C 147 31.904 31.904 31.122 0.782 19654 12101 1 16 . 1 1 147 147 VAL H H 147 7.700 7.700 7.681 0.019 19654 12102 1 16 . 1 1 148 148 GLU N N 148 118.404 118.404 119.047 -0.643 19654 12103 1 16 . 1 1 148 148 GLU HA H 148 3.985 3.985 4.001 -0.016 19654 12104 1 16 . 1 1 148 148 GLU CA C 148 58.933 58.933 58.743 0.190 19654 12105 1 16 . 1 1 148 148 GLU CB C 148 29.535 29.535 29.024 0.510 19654 12106 1 16 . 1 1 148 148 GLU H H 148 7.801 7.801 7.628 0.173 19654 12107 1 16 . 1 1 149 149 PHE N N 149 120.305 120.305 120.323 -0.018 19654 12108 1 16 . 1 1 149 149 PHE HA H 149 3.970 3.970 3.812 0.158 19654 12109 1 16 . 1 1 149 149 PHE CA C 149 61.341 61.341 60.807 0.534 19654 12110 1 16 . 1 1 149 149 PHE CB C 149 39.011 39.011 39.557 -0.546 19654 12111 1 16 . 1 1 149 149 PHE H H 149 8.358 8.358 8.063 0.295 19654 12112 1 16 . 1 1 150 150 PHE N N 150 112.582 112.582 113.065 -0.483 19654 12113 1 16 . 1 1 150 150 PHE HA H 150 4.255 4.255 4.371 -0.116 19654 12114 1 16 . 1 1 150 150 PHE CA C 150 59.075 59.075 59.213 -0.138 19654 12115 1 16 . 1 1 150 150 PHE CB C 150 39.487 39.487 39.482 0.005 19654 12116 1 16 . 1 1 150 150 PHE H H 150 6.927 6.927 7.625 -0.698 19654 12117 1 16 . 1 1 151 151 HIS N N 151 118.966 118.966 117.574 1.392 19654 12118 1 16 . 1 1 151 151 HIS HA H 151 4.370 4.370 4.386 -0.016 19654 12119 1 16 . 1 1 151 151 HIS CA C 151 56.788 56.788 56.515 0.273 19654 12120 1 16 . 1 1 151 151 HIS CB C 151 28.827 28.827 27.852 0.975 19654 12121 1 16 . 1 1 151 151 HIS H H 151 7.483 7.483 7.755 -0.272 19654 12122 1 16 . 1 1 152 152 VAL N N 152 120.499 120.499 121.746 -1.247 19654 12123 1 16 . 1 1 152 152 VAL HA H 152 3.950 3.950 4.246 -0.296 19654 12124 1 16 . 1 1 152 152 VAL CA C 152 62.110 62.110 64.192 -2.082 19654 12125 1 16 . 1 1 152 152 VAL CB C 152 32.593 32.593 33.345 -0.752 19654 12126 1 16 . 1 1 152 152 VAL H H 152 8.103 8.103 7.970 0.133 19654 12127 1 16 . 1 1 153 153 GLU N N 153 123.580 123.580 120.666 2.914 19654 12128 1 16 . 1 1 153 153 GLU HA H 153 4.162 4.162 4.590 -0.428 19654 12129 1 16 . 1 1 153 153 GLU CA C 153 56.433 56.433 55.084 1.349 19654 12130 1 16 . 1 1 153 153 GLU CB C 153 30.101 30.101 29.246 0.855 19654 12131 1 16 . 1 1 153 153 GLU H H 153 8.446 8.446 8.457 -0.011 19654 12132 1 16 . 1 1 154 154 ASP N N 154 120.964 120.964 118.659 2.305 19654 12133 1 16 . 1 1 154 154 ASP HA H 154 4.565 4.565 4.638 -0.073 19654 12134 1 16 . 1 1 154 154 ASP CA C 154 54.106 54.106 53.033 1.073 19654 12135 1 16 . 1 1 154 154 ASP CB C 154 40.836 40.836 42.375 -1.539 19654 12136 1 16 . 1 1 154 154 ASP H H 154 8.325 8.325 8.066 0.259 19654 12137 1 16 . 1 1 155 155 LEU N N 155 122.311 122.311 115.355 6.956 19654 12138 1 16 . 1 1 155 155 LEU HA H 155 4.230 4.230 4.542 -0.312 19654 12139 1 16 . 1 1 155 155 LEU CA C 155 55.340 55.340 55.037 0.303 19654 12140 1 16 . 1 1 155 155 LEU CB C 155 42.094 42.094 41.962 0.133 19654 12141 1 16 . 1 1 155 155 LEU H H 155 8.210 8.210 8.237 -0.027 19654 12142 1 16 . 1 1 156 156 GLU N N 156 120.023 120.023 116.956 3.067 19654 12143 1 16 . 1 1 156 156 GLU HA H 156 4.218 4.218 3.683 0.535 19654 12144 1 16 . 1 1 156 156 GLU CA C 156 56.831 56.831 57.697 -0.866 19654 12145 1 16 . 1 1 156 156 GLU CB C 156 29.930 29.930 28.083 1.847 19654 12146 1 16 . 1 1 156 156 GLU H H 156 8.396 8.396 8.456 -0.060 19654 12147 1 16 . 1 1 157 157 GLY N N 157 109.371 109.371 108.978 0.393 19654 12148 1 16 . 1 1 157 157 GLY CA C 157 45.327 45.327 44.955 0.372 19654 12149 1 16 . 1 1 157 157 GLY H H 157 8.323 8.323 7.492 0.831 19654 12150 1 16 . 1 1 158 158 GLY N N 158 108.074 108.074 109.256 -1.182 19654 12151 1 16 . 1 1 158 158 GLY CA C 158 45.061 45.061 45.145 -0.084 19654 12152 1 16 . 1 1 158 158 GLY H H 158 8.226 8.226 8.359 -0.133 19654 12153 1 16 . 1 1 159 159 HIS N N 159 117.875 117.875 121.115 -3.240 19654 12154 1 16 . 1 1 159 159 HIS HA H 159 4.551 4.551 4.462 0.089 19654 12155 1 16 . 1 1 159 159 HIS CA C 159 55.600 55.600 54.892 0.708 19654 12156 1 16 . 1 1 159 159 HIS CB C 159 29.800 29.800 31.182 -1.382 19654 12157 1 16 . 1 1 159 159 HIS H H 159 8.210 8.210 8.156 0.054 19654 12158 1 16 . 1 1 161 161 HIS N N 161 125.094 125.094 124.615 0.479 19654 12159 1 16 . 1 1 161 161 HIS HA H 161 4.585 4.585 4.696 -0.111 19654 12160 1 16 . 1 1 161 161 HIS H H 161 8.162 8.162 8.608 -0.446 19654 12161 1 17 . 1 1 2 2 GLU HA H 2 4.333 4.333 4.333 -0.000 19654 12162 1 17 . 1 1 2 2 GLU CA C 2 56.183 56.183 55.903 0.280 19654 12163 1 17 . 1 1 2 2 GLU CB C 2 30.150 30.150 30.377 -0.227 19654 12164 1 17 . 1 1 3 3 ASP N N 3 122.553 122.553 124.838 -2.285 19654 12165 1 17 . 1 1 3 3 ASP HA H 3 4.729 4.729 4.496 0.233 19654 12166 1 17 . 1 1 3 3 ASP CA C 3 53.659 53.659 54.836 -1.177 19654 12167 1 17 . 1 1 3 3 ASP CB C 3 41.319 41.319 41.941 -0.622 19654 12168 1 17 . 1 1 3 3 ASP H H 3 8.437 8.437 8.476 -0.039 19654 12169 1 17 . 1 1 4 4 GLU N N 4 125.121 125.121 122.047 3.074 19654 12170 1 17 . 1 1 4 4 GLU HA H 4 4.235 4.235 3.973 0.262 19654 12171 1 17 . 1 1 4 4 GLU CA C 4 58.915 58.915 59.970 -1.055 19654 12172 1 17 . 1 1 4 4 GLU CB C 4 29.274 29.274 29.871 -0.597 19654 12173 1 17 . 1 1 4 4 GLU H H 4 8.726 8.726 8.685 0.041 19654 12174 1 17 . 1 1 5 5 LEU N N 5 120.976 120.976 119.102 1.874 19654 12175 1 17 . 1 1 5 5 LEU HA H 5 4.517 4.517 4.189 0.328 19654 12176 1 17 . 1 1 5 5 LEU CA C 5 57.939 57.939 57.801 0.138 19654 12177 1 17 . 1 1 5 5 LEU CB C 5 40.917 40.917 41.440 -0.523 19654 12178 1 17 . 1 1 5 5 LEU H H 5 8.381 8.381 8.272 0.109 19654 12179 1 17 . 1 1 6 6 TYR N N 6 123.977 123.977 119.516 4.461 19654 12180 1 17 . 1 1 6 6 TYR HA H 6 3.865 3.865 4.172 -0.307 19654 12181 1 17 . 1 1 6 6 TYR CA C 6 62.721 62.721 61.988 0.733 19654 12182 1 17 . 1 1 6 6 TYR CB C 6 38.475 38.475 38.361 0.114 19654 12183 1 17 . 1 1 6 6 TYR H H 6 8.342 8.342 7.574 0.768 19654 12184 1 17 . 1 1 7 7 ARG N N 7 118.301 118.301 118.214 0.087 19654 12185 1 17 . 1 1 7 7 ARG HA H 7 3.828 3.828 4.033 -0.205 19654 12186 1 17 . 1 1 7 7 ARG CA C 7 59.619 59.619 58.717 0.902 19654 12187 1 17 . 1 1 7 7 ARG CB C 7 29.720 29.720 29.377 0.343 19654 12188 1 17 . 1 1 7 7 ARG H H 7 8.452 8.452 8.483 -0.031 19654 12189 1 17 . 1 1 8 8 GLN N N 8 119.421 119.421 120.465 -1.044 19654 12190 1 17 . 1 1 8 8 GLN HA H 8 3.944 3.944 4.057 -0.113 19654 12191 1 17 . 1 1 8 8 GLN CA C 8 58.827 58.827 59.235 -0.408 19654 12192 1 17 . 1 1 8 8 GLN CB C 8 28.918 28.918 28.604 0.314 19654 12193 1 17 . 1 1 8 8 GLN H H 8 8.894 8.894 8.711 0.183 19654 12194 1 17 . 1 1 9 9 SER N N 9 113.384 113.384 117.084 -3.700 19654 12195 1 17 . 1 1 9 9 SER HA H 9 4.007 4.007 3.958 0.049 19654 12196 1 17 . 1 1 9 9 SER CA C 9 62.117 62.117 62.313 -0.196 19654 12197 1 17 . 1 1 9 9 SER CB C 9 63.544 63.544 63.128 0.416 19654 12198 1 17 . 1 1 9 9 SER H H 9 8.018 8.018 8.259 -0.241 19654 12199 1 17 . 1 1 10 10 LEU N N 10 121.112 121.112 123.211 -2.099 19654 12200 1 17 . 1 1 10 10 LEU HA H 10 4.130 4.130 4.119 0.011 19654 12201 1 17 . 1 1 10 10 LEU CA C 10 57.022 57.022 57.597 -0.575 19654 12202 1 17 . 1 1 10 10 LEU CB C 10 41.146 41.146 41.662 -0.516 19654 12203 1 17 . 1 1 10 10 LEU H H 10 8.599 8.599 8.296 0.303 19654 12204 1 17 . 1 1 11 11 GLU N N 11 120.653 120.653 120.076 0.577 19654 12205 1 17 . 1 1 11 11 GLU HA H 11 3.914 3.914 3.936 -0.022 19654 12206 1 17 . 1 1 11 11 GLU CA C 11 59.627 59.627 59.741 -0.114 19654 12207 1 17 . 1 1 11 11 GLU CB C 11 29.298 29.298 29.532 -0.234 19654 12208 1 17 . 1 1 11 11 GLU H H 11 7.806 7.806 7.820 -0.014 19654 12209 1 17 . 1 1 12 12 ILE N N 12 117.297 117.297 119.584 -2.287 19654 12210 1 17 . 1 1 12 12 ILE HA H 12 3.121 3.121 3.601 -0.480 19654 12211 1 17 . 1 1 12 12 ILE CA C 12 65.774 65.774 65.527 0.247 19654 12212 1 17 . 1 1 12 12 ILE CB C 12 39.143 39.143 37.803 1.340 19654 12213 1 17 . 1 1 12 12 ILE H H 12 7.401 7.401 7.894 -0.493 19654 12214 1 17 . 1 1 13 13 ILE N N 13 117.560 117.560 119.340 -1.780 19654 12215 1 17 . 1 1 13 13 ILE HA H 13 3.302 3.302 3.506 -0.204 19654 12216 1 17 . 1 1 13 13 ILE CA C 13 66.420 66.420 65.819 0.601 19654 12217 1 17 . 1 1 13 13 ILE CB C 13 37.714 37.714 37.526 0.188 19654 12218 1 17 . 1 1 13 13 ILE H H 13 8.378 8.378 8.143 0.235 19654 12219 1 17 . 1 1 14 14 SER N N 14 113.892 113.892 115.617 -1.725 19654 12220 1 17 . 1 1 14 14 SER HA H 14 3.889 3.889 3.990 -0.101 19654 12221 1 17 . 1 1 14 14 SER CA C 14 62.310 62.310 62.015 0.295 19654 12222 1 17 . 1 1 14 14 SER CB C 14 62.282 62.282 63.088 -0.806 19654 12223 1 17 . 1 1 14 14 SER H H 14 9.048 9.048 8.282 0.766 19654 12224 1 17 . 1 1 15 15 ARG N N 15 118.890 118.890 120.992 -2.102 19654 12225 1 17 . 1 1 15 15 ARG HA H 15 4.033 4.033 3.904 0.129 19654 12226 1 17 . 1 1 15 15 ARG CA C 15 59.496 59.496 59.504 -0.008 19654 12227 1 17 . 1 1 15 15 ARG CB C 15 29.727 29.727 30.155 -0.429 19654 12228 1 17 . 1 1 15 15 ARG H H 15 7.655 7.655 7.487 0.168 19654 12229 1 17 . 1 1 16 16 TYR N N 16 119.757 119.757 121.115 -1.358 19654 12230 1 17 . 1 1 16 16 TYR HA H 16 4.146 4.146 4.118 0.028 19654 12231 1 17 . 1 1 16 16 TYR CA C 16 61.265 61.265 61.508 -0.243 19654 12232 1 17 . 1 1 16 16 TYR CB C 16 38.495 38.495 38.180 0.315 19654 12233 1 17 . 1 1 16 16 TYR H H 16 8.351 8.351 8.298 0.053 19654 12234 1 17 . 1 1 17 17 LEU N N 17 118.494 118.494 119.610 -1.116 19654 12235 1 17 . 1 1 17 17 LEU HA H 17 3.375 3.375 3.694 -0.319 19654 12236 1 17 . 1 1 17 17 LEU CA C 17 59.627 59.627 58.668 0.959 19654 12237 1 17 . 1 1 17 17 LEU CB C 17 39.949 39.949 41.318 -1.369 19654 12238 1 17 . 1 1 17 17 LEU H H 17 8.578 8.578 8.572 0.006 19654 12239 1 17 . 1 1 18 18 ARG N N 18 115.962 115.962 118.106 -2.144 19654 12240 1 17 . 1 1 18 18 ARG HA H 18 3.858 3.858 3.938 -0.080 19654 12241 1 17 . 1 1 18 18 ARG CA C 18 60.233 60.233 59.353 0.880 19654 12242 1 17 . 1 1 18 18 ARG CB C 18 29.993 29.993 29.828 0.165 19654 12243 1 17 . 1 1 18 18 ARG H H 18 8.044 8.044 7.693 0.351 19654 12244 1 17 . 1 1 19 19 GLU N N 19 120.998 120.998 120.297 0.701 19654 12245 1 17 . 1 1 19 19 GLU HA H 19 4.153 4.153 4.043 0.110 19654 12246 1 17 . 1 1 19 19 GLU CA C 19 58.857 58.857 59.366 -0.509 19654 12247 1 17 . 1 1 19 19 GLU CB C 19 29.661 29.661 29.112 0.549 19654 12248 1 17 . 1 1 19 19 GLU H H 19 8.268 8.268 8.463 -0.195 19654 12249 1 17 . 1 1 20 20 GLN N N 20 119.903 119.903 117.776 2.127 19654 12250 1 17 . 1 1 20 20 GLN HA H 20 3.715 3.715 4.006 -0.291 19654 12251 1 17 . 1 1 20 20 GLN CA C 20 58.008 58.008 57.671 0.337 19654 12252 1 17 . 1 1 20 20 GLN CB C 20 28.666 28.666 28.186 0.480 19654 12253 1 17 . 1 1 20 20 GLN H H 20 8.193 8.193 7.983 0.210 19654 12254 1 17 . 1 1 21 21 ALA N N 21 117.771 117.771 121.444 -3.673 19654 12255 1 17 . 1 1 21 21 ALA HA H 21 3.985 3.985 4.050 -0.065 19654 12256 1 17 . 1 1 21 21 ALA CA C 21 54.397 54.397 54.587 -0.189 19654 12257 1 17 . 1 1 21 21 ALA CB C 21 20.022 20.022 19.041 0.980 19654 12258 1 17 . 1 1 21 21 ALA H H 21 7.883 7.883 7.847 0.036 19654 12259 1 17 . 1 1 22 22 THR N N 22 103.721 103.721 109.504 -5.783 19654 12260 1 17 . 1 1 22 22 THR HA H 22 4.279 4.279 4.251 0.028 19654 12261 1 17 . 1 1 22 22 THR CA C 22 62.357 62.357 62.670 -0.313 19654 12262 1 17 . 1 1 22 22 THR CB C 22 71.071 71.071 70.397 0.674 19654 12263 1 17 . 1 1 22 22 THR H H 22 8.024 8.024 7.842 0.182 19654 12264 1 17 . 1 1 23 23 GLY N N 23 111.610 111.610 110.839 0.771 19654 12265 1 17 . 1 1 23 23 GLY CA C 23 45.574 45.574 44.777 0.797 19654 12266 1 17 . 1 1 23 23 GLY H H 23 8.155 8.155 8.023 0.132 19654 12267 1 17 . 1 1 24 24 ALA N N 24 123.004 123.004 122.034 0.970 19654 12268 1 17 . 1 1 24 24 ALA HA H 24 4.526 4.526 4.787 -0.261 19654 12269 1 17 . 1 1 24 24 ALA CA C 24 50.763 50.763 51.069 -0.305 19654 12270 1 17 . 1 1 24 24 ALA CB C 24 20.186 20.186 21.249 -1.063 19654 12271 1 17 . 1 1 24 24 ALA H H 24 7.763 7.763 7.755 0.008 19654 12272 1 17 . 1 1 25 25 LYS N N 25 121.392 121.392 118.510 2.882 19654 12273 1 17 . 1 1 25 25 LYS HA H 25 4.181 4.181 5.087 -0.906 19654 12274 1 17 . 1 1 25 25 LYS CA C 25 55.729 55.729 55.431 0.298 19654 12275 1 17 . 1 1 25 25 LYS CB C 25 33.175 33.175 35.085 -1.910 19654 12276 1 17 . 1 1 25 25 LYS H H 25 8.349 8.349 8.270 0.079 19654 12277 1 17 . 1 1 26 26 ASP N N 26 124.433 124.433 123.919 0.514 19654 12278 1 17 . 1 1 26 26 ASP HA H 26 4.618 4.618 4.794 -0.176 19654 12279 1 17 . 1 1 26 26 ASP CA C 26 53.735 53.735 53.993 -0.258 19654 12280 1 17 . 1 1 26 26 ASP CB C 26 41.402 41.402 42.819 -1.417 19654 12281 1 17 . 1 1 26 26 ASP H H 26 8.803 8.803 8.749 0.054 19654 12282 1 17 . 1 1 27 27 THR N N 27 116.332 116.332 115.681 0.651 19654 12283 1 17 . 1 1 27 27 THR HA H 27 4.249 4.249 4.436 -0.187 19654 12284 1 17 . 1 1 27 27 THR CA C 27 61.268 61.268 61.734 -0.466 19654 12285 1 17 . 1 1 27 27 THR CB C 27 68.993 68.993 69.430 -0.437 19654 12286 1 17 . 1 1 27 27 THR H H 27 8.363 8.363 8.260 0.103 19654 12287 1 17 . 1 1 28 28 LYS N N 28 125.551 125.551 123.631 1.920 19654 12288 1 17 . 1 1 28 28 LYS HA H 28 4.437 4.437 4.532 -0.095 19654 12289 1 17 . 1 1 28 28 LYS CA C 28 55.188 55.188 54.822 0.366 19654 12290 1 17 . 1 1 28 28 LYS CB C 28 31.409 31.409 31.984 -0.575 19654 12291 1 17 . 1 1 28 28 LYS H H 28 8.346 8.346 7.769 0.577 19654 12292 1 17 . 1 1 29 29 PRO HA H 29 4.392 4.392 4.277 0.116 19654 12293 1 17 . 1 1 29 29 PRO CA C 29 63.164 63.164 63.646 -0.482 19654 12294 1 17 . 1 1 29 29 PRO CB C 29 31.904 31.904 31.575 0.329 19654 12295 1 17 . 1 1 30 30 MET N N 30 121.136 121.136 123.778 -2.642 19654 12296 1 17 . 1 1 30 30 MET HA H 30 4.381 4.381 4.367 0.014 19654 12297 1 17 . 1 1 30 30 MET CA C 30 55.229 55.229 55.488 -0.259 19654 12298 1 17 . 1 1 30 30 MET CB C 30 33.819 33.819 33.496 0.323 19654 12299 1 17 . 1 1 30 30 MET H H 30 8.585 8.585 7.995 0.590 19654 12300 1 17 . 1 1 31 31 GLY N N 31 109.849 109.849 111.428 -1.579 19654 12301 1 17 . 1 1 31 31 GLY CA C 31 44.983 44.983 46.071 -1.088 19654 12302 1 17 . 1 1 31 31 GLY H H 31 8.930 8.930 8.652 0.278 19654 12303 1 17 . 1 1 32 32 ARG N N 32 121.001 121.001 120.511 0.490 19654 12304 1 17 . 1 1 32 32 ARG HA H 32 4.239 4.239 4.168 0.071 19654 12305 1 17 . 1 1 32 32 ARG CA C 32 56.755 56.755 58.094 -1.339 19654 12306 1 17 . 1 1 32 32 ARG CB C 32 30.110 30.110 30.395 -0.285 19654 12307 1 17 . 1 1 32 32 ARG H H 32 8.447 8.447 8.482 -0.035 19654 12308 1 17 . 1 1 33 33 SER N N 33 119.991 119.991 111.920 8.071 19654 12309 1 17 . 1 1 33 33 SER HA H 33 4.386 4.386 4.398 -0.012 19654 12310 1 17 . 1 1 33 33 SER CA C 33 58.502 58.502 59.134 -0.632 19654 12311 1 17 . 1 1 33 33 SER CB C 33 62.609 62.609 64.698 -2.090 19654 12312 1 17 . 1 1 33 33 SER H H 33 8.667 8.667 7.910 0.757 19654 12313 1 17 . 1 1 34 34 GLY N N 34 108.582 108.582 107.692 0.890 19654 12314 1 17 . 1 1 34 34 GLY CA C 34 46.637 46.637 44.966 1.671 19654 12315 1 17 . 1 1 34 34 GLY H H 34 8.216 8.216 8.123 0.093 19654 12316 1 17 . 1 1 35 35 ALA N N 35 123.445 123.445 127.203 -3.758 19654 12317 1 17 . 1 1 35 35 ALA HA H 35 4.193 4.193 3.960 0.233 19654 12318 1 17 . 1 1 35 35 ALA CA C 35 54.770 54.770 54.762 0.008 19654 12319 1 17 . 1 1 35 35 ALA CB C 35 18.437 18.437 18.897 -0.460 19654 12320 1 17 . 1 1 35 35 ALA H H 35 8.506 8.506 8.499 0.007 19654 12321 1 17 . 1 1 36 36 THR N N 36 115.716 115.716 115.237 0.479 19654 12322 1 17 . 1 1 36 36 THR HA H 36 3.919 3.919 3.954 -0.035 19654 12323 1 17 . 1 1 36 36 THR CA C 36 67.249 67.249 66.488 0.761 19654 12324 1 17 . 1 1 36 36 THR CB C 36 68.225 68.225 68.472 -0.246 19654 12325 1 17 . 1 1 36 36 THR H H 36 8.262 8.262 8.539 -0.277 19654 12326 1 17 . 1 1 37 37 SER N N 37 117.911 117.911 116.640 1.271 19654 12327 1 17 . 1 1 37 37 SER HA H 37 3.869 3.869 3.909 -0.040 19654 12328 1 17 . 1 1 37 37 SER CA C 37 62.333 62.333 61.428 0.905 19654 12329 1 17 . 1 1 37 37 SER CB C 37 62.333 62.333 62.845 -0.512 19654 12330 1 17 . 1 1 37 37 SER H H 37 8.389 8.389 7.685 0.704 19654 12331 1 17 . 1 1 38 38 ARG N N 38 120.924 120.924 121.122 -0.198 19654 12332 1 17 . 1 1 38 38 ARG HA H 38 3.901 3.901 3.952 -0.051 19654 12333 1 17 . 1 1 38 38 ARG CA C 38 59.923 59.923 59.686 0.237 19654 12334 1 17 . 1 1 38 38 ARG CB C 38 29.759 29.759 30.305 -0.546 19654 12335 1 17 . 1 1 38 38 ARG H H 38 8.278 8.278 7.845 0.433 19654 12336 1 17 . 1 1 39 39 LYS N N 39 119.172 119.172 118.983 0.189 19654 12337 1 17 . 1 1 39 39 LYS HA H 39 4.151 4.151 4.180 -0.029 19654 12338 1 17 . 1 1 39 39 LYS CA C 39 59.086 59.086 59.614 -0.527 19654 12339 1 17 . 1 1 39 39 LYS CB C 39 32.807 32.807 31.811 0.996 19654 12340 1 17 . 1 1 39 39 LYS H H 39 7.930 7.930 8.301 -0.371 19654 12341 1 17 . 1 1 40 40 ALA N N 40 125.586 125.586 123.303 2.283 19654 12342 1 17 . 1 1 40 40 ALA HA H 40 4.175 4.175 4.276 -0.101 19654 12343 1 17 . 1 1 40 40 ALA CA C 40 55.633 55.633 54.955 0.678 19654 12344 1 17 . 1 1 40 40 ALA CB C 40 18.675 18.675 18.413 0.262 19654 12345 1 17 . 1 1 40 40 ALA H H 40 9.192 9.192 7.772 1.420 19654 12346 1 17 . 1 1 41 41 LEU N N 41 120.080 120.080 120.172 -0.092 19654 12347 1 17 . 1 1 41 41 LEU HA H 41 3.930 3.930 3.943 -0.013 19654 12348 1 17 . 1 1 41 41 LEU CA C 41 58.169 58.169 58.019 0.150 19654 12349 1 17 . 1 1 41 41 LEU CB C 41 41.683 41.683 41.801 -0.118 19654 12350 1 17 . 1 1 41 41 LEU H H 41 8.209 8.209 8.091 0.118 19654 12351 1 17 . 1 1 42 42 GLU N N 42 117.875 117.875 117.421 0.454 19654 12352 1 17 . 1 1 42 42 GLU HA H 42 3.977 3.977 4.096 -0.119 19654 12353 1 17 . 1 1 42 42 GLU CA C 42 59.335 59.335 59.288 0.048 19654 12354 1 17 . 1 1 42 42 GLU CB C 42 29.176 29.176 29.142 0.034 19654 12355 1 17 . 1 1 42 42 GLU H H 42 8.197 8.197 8.687 -0.490 19654 12356 1 17 . 1 1 43 43 THR N N 43 116.912 116.912 117.988 -1.076 19654 12357 1 17 . 1 1 43 43 THR HA H 43 3.793 3.793 4.122 -0.329 19654 12358 1 17 . 1 1 43 43 THR CA C 43 67.517 67.517 66.629 0.888 19654 12359 1 17 . 1 1 43 43 THR CB C 43 68.089 68.089 68.614 -0.525 19654 12360 1 17 . 1 1 43 43 THR H H 43 8.183 8.183 7.739 0.444 19654 12361 1 17 . 1 1 44 44 LEU N N 44 123.099 123.099 121.009 2.090 19654 12362 1 17 . 1 1 44 44 LEU HA H 44 3.699 3.699 3.905 -0.206 19654 12363 1 17 . 1 1 44 44 LEU CA C 44 58.261 58.261 58.249 0.012 19654 12364 1 17 . 1 1 44 44 LEU CB C 44 40.988 40.988 40.974 0.014 19654 12365 1 17 . 1 1 44 44 LEU H H 44 8.509 8.509 8.699 -0.190 19654 12366 1 17 . 1 1 45 45 ARG N N 45 116.885 116.885 117.144 -0.259 19654 12367 1 17 . 1 1 45 45 ARG HA H 45 4.125 4.125 4.575 -0.450 19654 12368 1 17 . 1 1 45 45 ARG CA C 45 59.617 59.617 58.669 0.948 19654 12369 1 17 . 1 1 45 45 ARG CB C 45 30.423 30.423 29.881 0.542 19654 12370 1 17 . 1 1 45 45 ARG H H 45 8.398 8.398 7.728 0.670 19654 12371 1 17 . 1 1 46 46 ARG N N 46 117.297 117.297 119.966 -2.669 19654 12372 1 17 . 1 1 46 46 ARG HA H 46 4.229 4.229 4.188 0.041 19654 12373 1 17 . 1 1 46 46 ARG CA C 46 58.427 58.427 58.839 -0.412 19654 12374 1 17 . 1 1 46 46 ARG CB C 46 30.408 30.408 30.097 0.311 19654 12375 1 17 . 1 1 46 46 ARG H H 46 7.421 7.421 7.650 -0.229 19654 12376 1 17 . 1 1 47 47 VAL N N 47 114.304 114.304 114.025 0.279 19654 12377 1 17 . 1 1 47 47 VAL HA H 47 4.094 4.094 4.389 -0.295 19654 12378 1 17 . 1 1 47 47 VAL CA C 47 63.242 63.242 64.163 -0.921 19654 12379 1 17 . 1 1 47 47 VAL CB C 47 32.378 32.378 32.050 0.327 19654 12380 1 17 . 1 1 47 47 VAL H H 47 8.515 8.515 7.945 0.570 19654 12381 1 17 . 1 1 48 48 GLY N N 48 110.132 110.132 109.529 0.603 19654 12382 1 17 . 1 1 48 48 GLY CA C 48 46.588 46.588 47.619 -1.031 19654 12383 1 17 . 1 1 48 48 GLY H H 48 8.890 8.890 8.469 0.421 19654 12384 1 17 . 1 1 49 49 ASP N N 49 121.292 121.292 121.899 -0.607 19654 12385 1 17 . 1 1 49 49 ASP HA H 49 4.456 4.456 4.544 -0.088 19654 12386 1 17 . 1 1 49 49 ASP CA C 49 57.787 57.787 57.439 0.348 19654 12387 1 17 . 1 1 49 49 ASP CB C 49 40.912 40.912 40.820 0.092 19654 12388 1 17 . 1 1 49 49 ASP H H 49 7.392 7.392 8.066 -0.674 19654 12389 1 17 . 1 1 50 50 GLY N N 50 106.682 106.682 108.139 -1.457 19654 12390 1 17 . 1 1 50 50 GLY CA C 50 46.932 46.932 47.191 -0.259 19654 12391 1 17 . 1 1 50 50 GLY H H 50 8.132 8.132 8.050 0.082 19654 12392 1 17 . 1 1 51 51 VAL N N 51 121.747 121.747 122.448 -0.701 19654 12393 1 17 . 1 1 51 51 VAL HA H 51 3.944 3.944 3.732 0.212 19654 12394 1 17 . 1 1 51 51 VAL CA C 51 66.355 66.355 66.168 0.187 19654 12395 1 17 . 1 1 51 51 VAL CB C 51 31.594 31.594 31.125 0.469 19654 12396 1 17 . 1 1 51 51 VAL H H 51 7.476 7.476 8.147 -0.671 19654 12397 1 17 . 1 1 52 52 GLN N N 52 118.494 118.494 118.682 -0.188 19654 12398 1 17 . 1 1 52 52 GLN HA H 52 3.913 3.913 4.029 -0.116 19654 12399 1 17 . 1 1 52 52 GLN CA C 52 60.391 60.391 59.477 0.914 19654 12400 1 17 . 1 1 52 52 GLN CB C 52 29.682 29.682 28.755 0.927 19654 12401 1 17 . 1 1 52 52 GLN H H 52 8.439 8.439 8.603 -0.164 19654 12402 1 17 . 1 1 53 53 ARG N N 53 116.807 116.807 118.304 -1.497 19654 12403 1 17 . 1 1 53 53 ARG HA H 53 4.163 4.163 4.181 -0.018 19654 12404 1 17 . 1 1 53 53 ARG CA C 53 59.086 59.086 58.399 0.687 19654 12405 1 17 . 1 1 53 53 ARG CB C 53 30.009 30.009 29.919 0.090 19654 12406 1 17 . 1 1 53 53 ARG H H 53 7.873 7.873 8.119 -0.246 19654 12407 1 17 . 1 1 54 54 ASN N N 54 116.356 116.356 116.130 0.226 19654 12408 1 17 . 1 1 54 54 ASN HA H 54 4.448 4.448 4.528 -0.080 19654 12409 1 17 . 1 1 54 54 ASN CA C 54 54.694 54.694 55.495 -0.801 19654 12410 1 17 . 1 1 54 54 ASN CB C 54 38.302 38.302 38.266 0.036 19654 12411 1 17 . 1 1 54 54 ASN H H 54 8.123 8.123 7.855 0.268 19654 12412 1 17 . 1 1 55 55 HIS N N 55 114.809 114.809 117.885 -3.076 19654 12413 1 17 . 1 1 55 55 HIS HA H 55 4.504 4.504 4.345 0.159 19654 12414 1 17 . 1 1 55 55 HIS CA C 55 55.949 55.949 58.331 -2.382 19654 12415 1 17 . 1 1 55 55 HIS CB C 55 28.341 28.341 30.054 -1.713 19654 12416 1 17 . 1 1 55 55 HIS H H 55 7.558 7.558 8.167 -0.609 19654 12417 1 17 . 1 1 56 56 GLU N N 56 121.943 121.943 121.187 0.756 19654 12418 1 17 . 1 1 56 56 GLU HA H 56 3.640 3.640 3.855 -0.215 19654 12419 1 17 . 1 1 56 56 GLU CA C 56 61.360 61.360 60.023 1.337 19654 12420 1 17 . 1 1 56 56 GLU CB C 56 30.006 30.006 29.322 0.684 19654 12421 1 17 . 1 1 56 56 GLU H H 56 7.071 7.071 8.285 -1.214 19654 12422 1 17 . 1 1 57 57 THR N N 57 112.827 112.827 113.843 -1.016 19654 12423 1 17 . 1 1 57 57 THR HA H 57 3.984 3.984 4.037 -0.053 19654 12424 1 17 . 1 1 57 57 THR CA C 57 66.247 66.247 65.740 0.507 19654 12425 1 17 . 1 1 57 57 THR CB C 57 68.002 68.002 68.690 -0.688 19654 12426 1 17 . 1 1 57 57 THR H H 57 8.324 8.324 8.154 0.170 19654 12427 1 17 . 1 1 58 58 ALA N N 58 126.520 126.520 123.587 2.933 19654 12428 1 17 . 1 1 58 58 ALA HA H 58 4.147 4.147 4.169 -0.022 19654 12429 1 17 . 1 1 58 58 ALA CA C 58 54.707 54.707 54.502 0.206 19654 12430 1 17 . 1 1 58 58 ALA CB C 58 17.734 17.734 18.063 -0.329 19654 12431 1 17 . 1 1 58 58 ALA H H 58 7.910 7.910 7.581 0.329 19654 12432 1 17 . 1 1 59 59 PHE N N 59 119.326 119.326 118.659 0.667 19654 12433 1 17 . 1 1 59 59 PHE HA H 59 4.518 4.518 4.187 0.331 19654 12434 1 17 . 1 1 59 59 PHE CA C 59 56.946 56.946 59.453 -2.507 19654 12435 1 17 . 1 1 59 59 PHE CB C 59 34.583 34.583 37.761 -3.178 19654 12436 1 17 . 1 1 59 59 PHE H H 59 9.017 9.017 8.136 0.881 19654 12437 1 17 . 1 1 60 60 GLN N N 60 119.670 119.670 118.013 1.657 19654 12438 1 17 . 1 1 60 60 GLN HA H 60 4.232 4.232 4.186 0.046 19654 12439 1 17 . 1 1 60 60 GLN CA C 60 59.359 59.359 59.149 0.210 19654 12440 1 17 . 1 1 60 60 GLN CB C 60 28.009 28.009 27.836 0.173 19654 12441 1 17 . 1 1 60 60 GLN H H 60 8.678 8.678 8.940 -0.262 19654 12442 1 17 . 1 1 61 61 GLY N N 61 106.140 106.140 105.977 0.163 19654 12443 1 17 . 1 1 61 61 GLY CA C 61 47.085 47.085 46.868 0.216 19654 12444 1 17 . 1 1 61 61 GLY H H 61 7.975 7.975 8.022 -0.047 19654 12445 1 17 . 1 1 62 62 MET N N 62 120.973 120.973 119.983 0.990 19654 12446 1 17 . 1 1 62 62 MET HA H 62 4.080 4.080 4.332 -0.252 19654 12447 1 17 . 1 1 62 62 MET CA C 62 58.752 58.752 58.355 0.397 19654 12448 1 17 . 1 1 62 62 MET CB C 62 33.824 33.824 33.042 0.782 19654 12449 1 17 . 1 1 62 62 MET H H 62 8.007 8.007 7.646 0.361 19654 12450 1 17 . 1 1 63 63 LEU N N 63 119.043 119.043 119.604 -0.561 19654 12451 1 17 . 1 1 63 63 LEU HA H 63 4.139 4.139 3.996 0.143 19654 12452 1 17 . 1 1 63 63 LEU CA C 63 57.645 57.645 58.454 -0.809 19654 12453 1 17 . 1 1 63 63 LEU CB C 63 42.173 42.173 40.945 1.228 19654 12454 1 17 . 1 1 63 63 LEU H H 63 8.394 8.394 8.793 -0.399 19654 12455 1 17 . 1 1 64 64 ARG N N 64 117.294 117.294 117.750 -0.456 19654 12456 1 17 . 1 1 64 64 ARG HA H 64 4.090 4.090 4.099 -0.009 19654 12457 1 17 . 1 1 64 64 ARG CA C 64 58.551 58.551 58.551 0.000 19654 12458 1 17 . 1 1 64 64 ARG CB C 64 29.772 29.772 30.120 -0.348 19654 12459 1 17 . 1 1 64 64 ARG H H 64 7.912 7.912 8.225 -0.313 19654 12460 1 17 . 1 1 65 65 LYS N N 65 116.840 116.840 117.380 -0.540 19654 12461 1 17 . 1 1 65 65 LYS HA H 65 4.165 4.165 4.390 -0.225 19654 12462 1 17 . 1 1 65 65 LYS CA C 65 57.175 57.175 56.919 0.256 19654 12463 1 17 . 1 1 65 65 LYS CB C 65 32.299 32.299 32.732 -0.433 19654 12464 1 17 . 1 1 65 65 LYS H H 65 7.506 7.506 7.807 -0.301 19654 12465 1 17 . 1 1 66 66 LEU N N 66 119.257 119.257 120.580 -1.323 19654 12466 1 17 . 1 1 66 66 LEU HA H 66 4.232 4.232 4.361 -0.129 19654 12467 1 17 . 1 1 66 66 LEU CA C 66 55.442 55.442 56.024 -0.582 19654 12468 1 17 . 1 1 66 66 LEU CB C 66 43.042 43.042 42.562 0.480 19654 12469 1 17 . 1 1 66 66 LEU H H 66 7.736 7.736 7.640 0.096 19654 12470 1 17 . 1 1 67 67 ASP N N 67 119.743 119.743 119.226 0.517 19654 12471 1 17 . 1 1 67 67 ASP HA H 67 4.457 4.457 4.367 0.090 19654 12472 1 17 . 1 1 67 67 ASP CA C 67 53.850 53.850 54.978 -1.128 19654 12473 1 17 . 1 1 67 67 ASP CB C 67 40.195 40.195 40.328 -0.133 19654 12474 1 17 . 1 1 67 67 ASP H H 67 8.068 8.068 8.061 0.007 19654 12475 1 17 . 1 1 68 68 ILE N N 68 120.055 120.055 121.394 -1.339 19654 12476 1 17 . 1 1 68 68 ILE HA H 68 3.870 3.870 3.875 -0.005 19654 12477 1 17 . 1 1 68 68 ILE CA C 68 61.524 61.524 61.599 -0.075 19654 12478 1 17 . 1 1 68 68 ILE CB C 68 37.986 37.986 37.024 0.962 19654 12479 1 17 . 1 1 68 68 ILE H H 68 8.275 8.275 8.539 -0.264 19654 12480 1 17 . 1 1 69 69 LYS N N 69 126.186 126.186 126.261 -0.075 19654 12481 1 17 . 1 1 69 69 LYS HA H 69 4.481 4.481 4.428 0.053 19654 12482 1 17 . 1 1 69 69 LYS CA C 69 56.304 56.304 55.696 0.608 19654 12483 1 17 . 1 1 69 69 LYS CB C 69 34.136 34.136 33.934 0.202 19654 12484 1 17 . 1 1 69 69 LYS H H 69 9.722 9.722 8.878 0.844 19654 12485 1 17 . 1 1 70 70 ASN N N 70 115.056 115.056 116.916 -1.860 19654 12486 1 17 . 1 1 70 70 ASN HA H 70 4.700 4.700 4.802 -0.102 19654 12487 1 17 . 1 1 70 70 ASN CA C 70 51.977 51.977 52.145 -0.168 19654 12488 1 17 . 1 1 70 70 ASN CB C 70 39.474 39.474 40.368 -0.895 19654 12489 1 17 . 1 1 70 70 ASN H H 70 7.959 7.959 8.225 -0.266 19654 12490 1 17 . 1 1 71 71 GLU N N 71 118.214 118.214 119.028 -0.814 19654 12491 1 17 . 1 1 71 71 GLU HA H 71 3.967 3.967 3.952 0.015 19654 12492 1 17 . 1 1 71 71 GLU CA C 71 59.354 59.354 59.483 -0.129 19654 12493 1 17 . 1 1 71 71 GLU CB C 71 29.520 29.520 29.579 -0.059 19654 12494 1 17 . 1 1 71 71 GLU H H 71 8.831 8.831 8.856 -0.025 19654 12495 1 17 . 1 1 72 72 ASP N N 72 120.319 120.319 119.218 1.101 19654 12496 1 17 . 1 1 72 72 ASP HA H 72 4.422 4.422 4.361 0.061 19654 12497 1 17 . 1 1 72 72 ASP CA C 72 57.036 57.036 57.796 -0.760 19654 12498 1 17 . 1 1 72 72 ASP CB C 72 39.945 39.945 40.829 -0.884 19654 12499 1 17 . 1 1 72 72 ASP H H 72 8.167 8.167 8.718 -0.551 19654 12500 1 17 . 1 1 73 73 ASP N N 73 119.793 119.793 119.601 0.192 19654 12501 1 17 . 1 1 73 73 ASP HA H 73 4.521 4.521 4.381 0.140 19654 12502 1 17 . 1 1 73 73 ASP CA C 73 56.337 56.337 57.293 -0.956 19654 12503 1 17 . 1 1 73 73 ASP CB C 73 41.927 41.927 40.559 1.368 19654 12504 1 17 . 1 1 73 73 ASP H H 73 8.153 8.153 7.777 0.376 19654 12505 1 17 . 1 1 74 74 VAL N N 74 117.572 117.572 120.355 -2.783 19654 12506 1 17 . 1 1 74 74 VAL HA H 74 3.714 3.714 3.604 0.110 19654 12507 1 17 . 1 1 74 74 VAL CA C 74 65.498 65.498 66.605 -1.107 19654 12508 1 17 . 1 1 74 74 VAL CB C 74 31.077 31.077 31.561 -0.484 19654 12509 1 17 . 1 1 74 74 VAL H H 74 7.629 7.629 7.421 0.208 19654 12510 1 17 . 1 1 75 75 LYS N N 75 119.403 119.403 119.176 0.227 19654 12511 1 17 . 1 1 75 75 LYS HA H 75 4.154 4.154 4.027 0.128 19654 12512 1 17 . 1 1 75 75 LYS CA C 75 59.034 59.034 59.541 -0.507 19654 12513 1 17 . 1 1 75 75 LYS CB C 75 31.909 31.909 32.053 -0.144 19654 12514 1 17 . 1 1 75 75 LYS H H 75 7.961 7.961 8.025 -0.064 19654 12515 1 17 . 1 1 76 76 SER N N 76 114.355 114.355 115.734 -1.379 19654 12516 1 17 . 1 1 76 76 SER HA H 76 4.453 4.453 4.276 0.177 19654 12517 1 17 . 1 1 76 76 SER CA C 76 60.061 60.061 60.890 -0.829 19654 12518 1 17 . 1 1 76 76 SER CB C 76 63.023 63.023 62.778 0.245 19654 12519 1 17 . 1 1 76 76 SER H H 76 7.919 7.919 7.925 -0.006 19654 12520 1 17 . 1 1 77 77 LEU N N 77 121.954 121.954 121.693 0.261 19654 12521 1 17 . 1 1 77 77 LEU HA H 77 4.230 4.230 3.977 0.253 19654 12522 1 17 . 1 1 77 77 LEU CA C 77 56.764 56.764 57.841 -1.077 19654 12523 1 17 . 1 1 77 77 LEU CB C 77 41.695 41.695 41.468 0.227 19654 12524 1 17 . 1 1 77 77 LEU H H 77 7.883 7.883 8.181 -0.297 19654 12525 1 17 . 1 1 78 78 SER N N 78 115.268 115.268 114.151 1.117 19654 12526 1 17 . 1 1 78 78 SER HA H 78 3.962 3.962 4.039 -0.077 19654 12527 1 17 . 1 1 78 78 SER CA C 78 62.337 62.337 62.362 -0.025 19654 12528 1 17 . 1 1 78 78 SER CB C 78 62.218 62.218 63.059 -0.841 19654 12529 1 17 . 1 1 78 78 SER H H 78 8.185 8.185 8.006 0.179 19654 12530 1 17 . 1 1 79 79 ARG N N 79 119.021 119.021 119.781 -0.760 19654 12531 1 17 . 1 1 79 79 ARG HA H 79 4.090 4.090 4.173 -0.083 19654 12532 1 17 . 1 1 79 79 ARG CA C 79 58.849 58.849 58.620 0.229 19654 12533 1 17 . 1 1 79 79 ARG CB C 79 29.930 29.930 29.576 0.354 19654 12534 1 17 . 1 1 79 79 ARG H H 79 7.684 7.684 7.600 0.084 19654 12535 1 17 . 1 1 80 80 VAL N N 80 116.979 116.979 120.718 -3.739 19654 12536 1 17 . 1 1 80 80 VAL HA H 80 3.953 3.953 3.366 0.587 19654 12537 1 17 . 1 1 80 80 VAL CA C 80 64.228 64.228 66.236 -2.008 19654 12538 1 17 . 1 1 80 80 VAL CB C 80 32.210 32.210 31.475 0.735 19654 12539 1 17 . 1 1 80 80 VAL H H 80 7.479 7.479 7.528 -0.049 19654 12540 1 17 . 1 1 81 81 MET N N 81 117.822 117.822 118.328 -0.506 19654 12541 1 17 . 1 1 81 81 MET HA H 81 4.053 4.053 4.135 -0.082 19654 12542 1 17 . 1 1 81 81 MET CA C 81 58.322 58.322 57.321 1.001 19654 12543 1 17 . 1 1 81 81 MET CB C 81 32.555 32.555 31.311 1.244 19654 12544 1 17 . 1 1 81 81 MET H H 81 8.104 8.104 8.307 -0.203 19654 12545 1 17 . 1 1 82 82 ILE N N 82 116.348 116.348 118.471 -2.123 19654 12546 1 17 . 1 1 82 82 ILE HA H 82 3.815 3.815 3.891 -0.076 19654 12547 1 17 . 1 1 82 82 ILE CA C 82 63.653 63.653 65.320 -1.667 19654 12548 1 17 . 1 1 82 82 ILE CB C 82 37.879 37.879 37.461 0.418 19654 12549 1 17 . 1 1 82 82 ILE H H 82 7.789 7.789 7.748 0.041 19654 12550 1 17 . 1 1 83 83 HIS N N 83 118.994 118.994 117.932 1.062 19654 12551 1 17 . 1 1 83 83 HIS HA H 83 4.409 4.409 4.402 0.007 19654 12552 1 17 . 1 1 83 83 HIS CA C 83 58.245 58.245 58.817 -0.572 19654 12553 1 17 . 1 1 83 83 HIS CB C 83 29.735 29.735 29.656 0.079 19654 12554 1 17 . 1 1 83 83 HIS H H 83 7.543 7.543 7.578 -0.035 19654 12555 1 17 . 1 1 84 84 VAL N N 84 117.112 117.112 119.725 -2.613 19654 12556 1 17 . 1 1 84 84 VAL HA H 84 3.631 3.631 3.684 -0.053 19654 12557 1 17 . 1 1 84 84 VAL CA C 84 64.628 64.628 65.714 -1.086 19654 12558 1 17 . 1 1 84 84 VAL CB C 84 31.904 31.904 31.039 0.865 19654 12559 1 17 . 1 1 84 84 VAL H H 84 7.713 7.713 7.823 -0.110 19654 12560 1 17 . 1 1 85 85 PHE N N 85 115.531 115.531 114.559 0.972 19654 12561 1 17 . 1 1 85 85 PHE HA H 85 4.733 4.733 4.464 0.269 19654 12562 1 17 . 1 1 85 85 PHE CA C 85 57.326 57.326 57.346 -0.020 19654 12563 1 17 . 1 1 85 85 PHE CB C 85 39.507 39.507 38.162 1.345 19654 12564 1 17 . 1 1 85 85 PHE H H 85 7.743 7.743 7.301 0.442 19654 12565 1 17 . 1 1 86 86 SER N N 86 114.812 114.812 116.505 -1.693 19654 12566 1 17 . 1 1 86 86 SER HA H 86 4.275 4.275 4.160 0.115 19654 12567 1 17 . 1 1 86 86 SER CA C 86 59.832 59.832 61.327 -1.495 19654 12568 1 17 . 1 1 86 86 SER CB C 86 63.482 63.482 63.323 0.159 19654 12569 1 17 . 1 1 86 86 SER H H 86 7.634 7.634 7.740 -0.106 19654 12570 1 17 . 1 1 87 87 ASP N N 87 120.986 120.986 120.509 0.477 19654 12571 1 17 . 1 1 87 87 ASP HA H 87 4.491 4.491 4.474 0.017 19654 12572 1 17 . 1 1 87 87 ASP CA C 87 54.032 54.032 55.284 -1.252 19654 12573 1 17 . 1 1 87 87 ASP CB C 87 40.411 40.411 41.169 -0.757 19654 12574 1 17 . 1 1 87 87 ASP H H 87 8.043 8.043 8.053 -0.010 19654 12575 1 17 . 1 1 88 88 GLY N N 88 108.171 108.171 109.847 -1.676 19654 12576 1 17 . 1 1 88 88 GLY CA C 88 44.981 44.981 45.226 -0.245 19654 12577 1 17 . 1 1 88 88 GLY H H 88 8.163 8.163 8.491 -0.328 19654 12578 1 17 . 1 1 89 89 VAL N N 89 121.716 121.716 115.177 6.539 19654 12579 1 17 . 1 1 89 89 VAL HA H 89 3.879 3.879 4.423 -0.544 19654 12580 1 17 . 1 1 89 89 VAL CA C 89 62.471 62.471 60.298 2.173 19654 12581 1 17 . 1 1 89 89 VAL CB C 89 32.418 32.418 33.144 -0.726 19654 12582 1 17 . 1 1 89 89 VAL H H 89 7.886 7.886 7.457 0.429 19654 12583 1 17 . 1 1 90 90 THR N N 90 121.669 121.669 114.320 7.349 19654 12584 1 17 . 1 1 90 90 THR HA H 90 3.657 3.657 3.758 -0.101 19654 12585 1 17 . 1 1 90 90 THR CA C 90 62.473 62.473 63.619 -1.146 19654 12586 1 17 . 1 1 90 90 THR CB C 90 68.528 68.528 68.097 0.431 19654 12587 1 17 . 1 1 90 90 THR H H 90 8.201 8.201 8.460 -0.259 19654 12588 1 17 . 1 1 91 91 ASN HA H 91 4.162 4.162 4.299 -0.137 19654 12589 1 17 . 1 1 91 91 ASN CA C 91 51.748 51.748 54.326 -2.578 19654 12590 1 17 . 1 1 91 91 ASN CB C 91 39.645 39.645 38.290 1.355 19654 12591 1 17 . 1 1 91 91 ASN H H 91 8.826 8.826 7.807 1.019 19654 12592 1 17 . 1 1 92 92 TRP N N 92 118.437 118.437 115.912 2.525 19654 12593 1 17 . 1 1 92 92 TRP HA H 92 4.739 4.739 4.204 0.535 19654 12594 1 17 . 1 1 92 92 TRP CA C 92 60.233 60.233 57.999 2.234 19654 12595 1 17 . 1 1 92 92 TRP CB C 92 30.167 30.167 26.339 3.828 19654 12596 1 17 . 1 1 92 92 TRP H H 92 8.942 8.942 7.049 1.893 19654 12597 1 17 . 1 1 93 93 GLY N N 93 108.154 108.154 106.268 1.886 19654 12598 1 17 . 1 1 93 93 GLY CA C 93 47.544 47.544 46.793 0.751 19654 12599 1 17 . 1 1 93 93 GLY H H 93 8.697 8.697 8.411 0.286 19654 12600 1 17 . 1 1 94 94 ARG N N 94 122.547 122.547 120.131 2.416 19654 12601 1 17 . 1 1 94 94 ARG HA H 94 4.072 4.072 3.954 0.118 19654 12602 1 17 . 1 1 94 94 ARG CA C 94 58.556 58.556 58.810 -0.255 19654 12603 1 17 . 1 1 94 94 ARG CB C 94 30.201 30.201 29.418 0.784 19654 12604 1 17 . 1 1 94 94 ARG H H 94 8.353 8.353 8.193 0.160 19654 12605 1 17 . 1 1 95 95 ILE N N 95 120.130 120.130 119.714 0.416 19654 12606 1 17 . 1 1 95 95 ILE HA H 95 3.708 3.708 3.963 -0.255 19654 12607 1 17 . 1 1 95 95 ILE CA C 95 65.511 65.511 63.456 2.055 19654 12608 1 17 . 1 1 95 95 ILE CB C 95 37.486 37.486 36.788 0.698 19654 12609 1 17 . 1 1 95 95 ILE H H 95 7.545 7.545 7.887 -0.342 19654 12610 1 17 . 1 1 96 96 VAL N N 96 119.403 119.403 120.664 -1.261 19654 12611 1 17 . 1 1 96 96 VAL HA H 96 3.723 3.723 3.454 0.269 19654 12612 1 17 . 1 1 96 96 VAL CA C 96 67.249 67.249 67.434 -0.185 19654 12613 1 17 . 1 1 96 96 VAL CB C 96 31.001 31.001 31.211 -0.210 19654 12614 1 17 . 1 1 96 96 VAL H H 96 8.990 8.990 7.696 1.294 19654 12615 1 17 . 1 1 97 97 THR N N 97 122.016 122.016 116.175 5.841 19654 12616 1 17 . 1 1 97 97 THR HA H 97 3.784 3.784 3.983 -0.199 19654 12617 1 17 . 1 1 97 97 THR CA C 97 68.159 68.159 66.764 1.395 19654 12618 1 17 . 1 1 97 97 THR CB C 97 67.212 67.212 68.631 -1.419 19654 12619 1 17 . 1 1 97 97 THR H H 97 8.605 8.605 8.230 0.375 19654 12620 1 17 . 1 1 98 98 LEU N N 98 122.476 122.476 123.883 -1.407 19654 12621 1 17 . 1 1 98 98 LEU HA H 98 3.805 3.805 4.048 -0.243 19654 12622 1 17 . 1 1 98 98 LEU CA C 98 58.818 58.818 58.278 0.540 19654 12623 1 17 . 1 1 98 98 LEU CB C 98 41.158 41.158 41.788 -0.630 19654 12624 1 17 . 1 1 98 98 LEU H H 98 7.769 7.769 7.924 -0.155 19654 12625 1 17 . 1 1 99 99 ILE N N 99 117.997 117.997 118.256 -0.259 19654 12626 1 17 . 1 1 99 99 ILE HA H 99 3.509 3.509 3.634 -0.125 19654 12627 1 17 . 1 1 99 99 ILE CA C 99 66.261 66.261 65.498 0.764 19654 12628 1 17 . 1 1 99 99 ILE CB C 99 38.350 38.350 37.380 0.970 19654 12629 1 17 . 1 1 99 99 ILE H H 99 8.175 8.175 8.235 -0.060 19654 12630 1 17 . 1 1 100 100 SER N N 100 116.934 116.934 116.966 -0.032 19654 12631 1 17 . 1 1 100 100 SER HA H 100 4.447 4.447 4.389 0.058 19654 12632 1 17 . 1 1 100 100 SER CA C 100 63.290 63.290 62.556 0.734 19654 12633 1 17 . 1 1 100 100 SER CB C 100 62.867 62.867 62.962 -0.095 19654 12634 1 17 . 1 1 100 100 SER H H 100 8.989 8.989 8.655 0.334 19654 12635 1 17 . 1 1 101 101 PHE N N 101 124.640 124.640 122.589 2.051 19654 12636 1 17 . 1 1 101 101 PHE HA H 101 3.420 3.420 3.789 -0.369 19654 12637 1 17 . 1 1 101 101 PHE CA C 101 60.499 60.499 59.954 0.545 19654 12638 1 17 . 1 1 101 101 PHE CB C 101 37.333 37.333 38.554 -1.221 19654 12639 1 17 . 1 1 101 101 PHE H H 101 8.513 8.513 8.536 -0.023 19654 12640 1 17 . 1 1 102 102 GLY N N 102 106.116 106.116 106.866 -0.750 19654 12641 1 17 . 1 1 102 102 GLY CA C 102 48.166 48.166 47.009 1.157 19654 12642 1 17 . 1 1 102 102 GLY H H 102 8.111 8.111 8.299 -0.188 19654 12643 1 17 . 1 1 103 103 ALA N N 103 124.560 124.560 124.487 0.073 19654 12644 1 17 . 1 1 103 103 ALA HA H 103 3.780 3.780 3.929 -0.149 19654 12645 1 17 . 1 1 103 103 ALA CA C 103 55.646 55.646 54.641 1.006 19654 12646 1 17 . 1 1 103 103 ALA CB C 103 18.476 18.476 18.546 -0.070 19654 12647 1 17 . 1 1 103 103 ALA H H 103 8.437 8.437 8.245 0.192 19654 12648 1 17 . 1 1 104 104 PHE N N 104 120.981 120.981 120.552 0.429 19654 12649 1 17 . 1 1 104 104 PHE HA H 104 3.989 3.989 4.284 -0.295 19654 12650 1 17 . 1 1 104 104 PHE CA C 104 62.258 62.258 61.408 0.850 19654 12651 1 17 . 1 1 104 104 PHE CB C 104 39.949 39.949 39.448 0.501 19654 12652 1 17 . 1 1 104 104 PHE H H 104 8.213 8.213 8.168 0.045 19654 12653 1 17 . 1 1 105 105 VAL N N 105 120.473 120.473 119.231 1.242 19654 12654 1 17 . 1 1 105 105 VAL HA H 105 3.236 3.236 3.445 -0.209 19654 12655 1 17 . 1 1 105 105 VAL CA C 105 66.348 66.348 66.510 -0.162 19654 12656 1 17 . 1 1 105 105 VAL CB C 105 30.720 30.720 30.898 -0.178 19654 12657 1 17 . 1 1 105 105 VAL H H 105 8.513 8.513 8.248 0.265 19654 12658 1 17 . 1 1 106 106 ALA N N 106 123.948 123.948 123.211 0.737 19654 12659 1 17 . 1 1 106 106 ALA HA H 106 3.660 3.660 3.795 -0.135 19654 12660 1 17 . 1 1 106 106 ALA CA C 106 55.607 55.607 55.499 0.108 19654 12661 1 17 . 1 1 106 106 ALA CB C 106 18.003 18.003 18.003 -0.000 19654 12662 1 17 . 1 1 106 106 ALA H H 106 8.807 8.807 8.169 0.638 19654 12663 1 17 . 1 1 107 107 LYS N N 107 115.836 115.836 118.241 -2.405 19654 12664 1 17 . 1 1 107 107 LYS HA H 107 3.733 3.733 3.786 -0.053 19654 12665 1 17 . 1 1 107 107 LYS CA C 107 60.462 60.462 59.994 0.468 19654 12666 1 17 . 1 1 107 107 LYS CB C 107 31.907 31.907 32.087 -0.180 19654 12667 1 17 . 1 1 107 107 LYS H H 107 7.934 7.934 8.074 -0.140 19654 12668 1 17 . 1 1 108 108 HIS N N 108 120.459 120.459 119.059 1.400 19654 12669 1 17 . 1 1 108 108 HIS HA H 108 4.212 4.212 4.243 -0.031 19654 12670 1 17 . 1 1 108 108 HIS CA C 108 59.623 59.623 59.057 0.566 19654 12671 1 17 . 1 1 108 108 HIS CB C 108 29.838 29.838 29.558 0.280 19654 12672 1 17 . 1 1 108 108 HIS H H 108 7.254 7.254 7.404 -0.150 19654 12673 1 17 . 1 1 109 109 LEU N N 109 118.336 118.336 120.505 -2.169 19654 12674 1 17 . 1 1 109 109 LEU HA H 109 3.640 3.640 3.784 -0.144 19654 12675 1 17 . 1 1 109 109 LEU CA C 109 56.945 56.945 57.751 -0.806 19654 12676 1 17 . 1 1 109 109 LEU CB C 109 39.709 39.709 41.597 -1.888 19654 12677 1 17 . 1 1 109 109 LEU H H 109 8.709 8.709 8.392 0.317 19654 12678 1 17 . 1 1 110 110 LYS N N 110 118.036 118.036 119.690 -1.654 19654 12679 1 17 . 1 1 110 110 LYS HA H 110 3.944 3.944 4.253 -0.309 19654 12680 1 17 . 1 1 110 110 LYS CA C 110 58.967 58.967 58.880 0.087 19654 12681 1 17 . 1 1 110 110 LYS CB C 110 32.220 32.220 31.781 0.439 19654 12682 1 17 . 1 1 110 110 LYS H H 110 7.752 7.752 8.314 -0.562 19654 12683 1 17 . 1 1 111 111 THR N N 111 115.985 115.985 114.856 1.129 19654 12684 1 17 . 1 1 111 111 THR HA H 111 3.990 3.990 4.031 -0.041 19654 12685 1 17 . 1 1 111 111 THR CA C 111 65.921 65.921 65.756 0.165 19654 12686 1 17 . 1 1 111 111 THR CB C 111 68.611 68.611 68.742 -0.131 19654 12687 1 17 . 1 1 111 111 THR H H 111 7.832 7.832 7.672 0.160 19654 12688 1 17 . 1 1 112 112 ILE N N 112 112.606 112.606 114.489 -1.883 19654 12689 1 17 . 1 1 112 112 ILE HA H 112 4.454 4.454 4.411 0.043 19654 12690 1 17 . 1 1 112 112 ILE CA C 112 60.922 60.922 60.265 0.657 19654 12691 1 17 . 1 1 112 112 ILE CB C 112 36.813 36.813 37.622 -0.809 19654 12692 1 17 . 1 1 112 112 ILE H H 112 7.262 7.262 7.211 0.051 19654 12693 1 17 . 1 1 113 113 ASN N N 113 116.297 116.297 116.712 -0.415 19654 12694 1 17 . 1 1 113 113 ASN HA H 113 4.576 4.576 4.479 0.097 19654 12695 1 17 . 1 1 113 113 ASN CA C 113 54.653 54.653 54.731 -0.078 19654 12696 1 17 . 1 1 113 113 ASN CB C 113 36.497 36.497 37.060 -0.563 19654 12697 1 17 . 1 1 113 113 ASN H H 113 7.816 7.816 7.665 0.151 19654 12698 1 17 . 1 1 114 114 GLN N N 114 117.958 117.958 115.953 2.005 19654 12699 1 17 . 1 1 114 114 GLN HA H 114 4.739 4.739 4.538 0.201 19654 12700 1 17 . 1 1 114 114 GLN CA C 114 54.079 54.079 54.428 -0.349 19654 12701 1 17 . 1 1 114 114 GLN CB C 114 28.840 28.840 28.818 0.022 19654 12702 1 17 . 1 1 114 114 GLN H H 114 8.522 8.522 8.115 0.407 19654 12703 1 17 . 1 1 115 115 GLU N N 115 120.597 120.597 120.267 0.330 19654 12704 1 17 . 1 1 115 115 GLU HA H 115 3.646 3.646 3.862 -0.216 19654 12705 1 17 . 1 1 115 115 GLU CA C 115 59.569 59.569 60.036 -0.467 19654 12706 1 17 . 1 1 115 115 GLU CB C 115 29.061 29.061 28.886 0.175 19654 12707 1 17 . 1 1 115 115 GLU H H 115 8.881 8.881 8.624 0.257 19654 12708 1 17 . 1 1 116 116 SER N N 116 115.352 115.352 113.085 2.267 19654 12709 1 17 . 1 1 116 116 SER HA H 116 4.250 4.250 4.211 0.039 19654 12710 1 17 . 1 1 116 116 SER CA C 116 60.593 60.593 61.140 -0.547 19654 12711 1 17 . 1 1 116 116 SER CB C 116 62.231 62.231 63.079 -0.848 19654 12712 1 17 . 1 1 116 116 SER H H 116 8.702 8.702 8.478 0.224 19654 12713 1 17 . 1 1 117 117 SER N N 117 116.944 116.944 118.799 -1.855 19654 12714 1 17 . 1 1 117 117 SER HA H 117 4.461 4.461 4.205 0.256 19654 12715 1 17 . 1 1 117 117 SER CA C 117 60.219 60.219 61.226 -1.007 19654 12716 1 17 . 1 1 117 117 SER CB C 117 64.116 64.116 62.761 1.355 19654 12717 1 17 . 1 1 117 117 SER H H 117 7.963 7.963 7.743 0.220 19654 12718 1 17 . 1 1 118 118 ILE N N 118 122.505 122.505 121.353 1.152 19654 12719 1 17 . 1 1 118 118 ILE HA H 118 3.419 3.419 3.564 -0.145 19654 12720 1 17 . 1 1 118 118 ILE CA C 118 66.227 66.227 65.436 0.791 19654 12721 1 17 . 1 1 118 118 ILE CB C 118 36.723 36.723 37.373 -0.650 19654 12722 1 17 . 1 1 118 118 ILE H H 118 7.945 7.945 7.394 0.551 19654 12723 1 17 . 1 1 119 119 GLU N N 119 119.604 119.604 119.825 -0.221 19654 12724 1 17 . 1 1 119 119 GLU HA H 119 4.244 4.244 4.169 0.075 19654 12725 1 17 . 1 1 119 119 GLU CA C 119 61.540 61.540 61.227 0.312 19654 12726 1 17 . 1 1 119 119 GLU CB C 119 26.092 26.092 27.745 -1.653 19654 12727 1 17 . 1 1 119 119 GLU H H 119 8.244 8.244 7.742 0.502 19654 12728 1 17 . 1 1 120 120 PRO HA H 120 4.446 4.446 4.501 -0.055 19654 12729 1 17 . 1 1 120 120 PRO CA C 120 65.583 65.583 65.400 0.184 19654 12730 1 17 . 1 1 120 120 PRO CB C 120 30.167 30.167 31.443 -1.276 19654 12731 1 17 . 1 1 121 121 LEU N N 121 120.974 120.974 120.354 0.620 19654 12732 1 17 . 1 1 121 121 LEU HA H 121 3.990 3.990 4.050 -0.060 19654 12733 1 17 . 1 1 121 121 LEU CA C 121 58.436 58.436 57.732 0.704 19654 12734 1 17 . 1 1 121 121 LEU CB C 121 40.988 40.988 41.691 -0.703 19654 12735 1 17 . 1 1 121 121 LEU H H 121 7.587 7.587 7.807 -0.220 19654 12736 1 17 . 1 1 122 122 ALA N N 122 121.982 121.982 121.165 0.817 19654 12737 1 17 . 1 1 122 122 ALA HA H 122 3.743 3.743 3.893 -0.150 19654 12738 1 17 . 1 1 122 122 ALA CA C 122 55.233 55.233 55.287 -0.054 19654 12739 1 17 . 1 1 122 122 ALA CB C 122 17.687 17.687 17.930 -0.243 19654 12740 1 17 . 1 1 122 122 ALA H H 122 8.593 8.593 8.270 0.323 19654 12741 1 17 . 1 1 123 123 GLU N N 123 120.516 120.516 118.506 2.010 19654 12742 1 17 . 1 1 123 123 GLU HA H 123 3.862 3.862 3.900 -0.038 19654 12743 1 17 . 1 1 123 123 GLU CA C 123 59.995 59.995 59.542 0.453 19654 12744 1 17 . 1 1 123 123 GLU CB C 123 29.298 29.298 29.538 -0.240 19654 12745 1 17 . 1 1 123 123 GLU H H 123 8.568 8.568 8.416 0.152 19654 12746 1 17 . 1 1 124 124 SER N N 124 116.054 116.054 116.006 0.048 19654 12747 1 17 . 1 1 124 124 SER HA H 124 4.367 4.367 4.246 0.121 19654 12748 1 17 . 1 1 124 124 SER CA C 124 62.240 62.240 62.435 -0.195 19654 12749 1 17 . 1 1 124 124 SER CB C 124 63.074 63.074 62.883 0.191 19654 12750 1 17 . 1 1 124 124 SER H H 124 8.282 8.282 8.041 0.241 19654 12751 1 17 . 1 1 125 125 ILE N N 125 120.575 120.575 122.095 -1.520 19654 12752 1 17 . 1 1 125 125 ILE HA H 125 3.627 3.627 3.783 -0.156 19654 12753 1 17 . 1 1 125 125 ILE CA C 125 64.655 64.655 64.320 0.335 19654 12754 1 17 . 1 1 125 125 ILE CB C 125 37.413 37.413 36.727 0.686 19654 12755 1 17 . 1 1 125 125 ILE H H 125 8.343 8.343 8.358 -0.015 19654 12756 1 17 . 1 1 126 126 THR N N 126 116.459 116.459 115.987 0.472 19654 12757 1 17 . 1 1 126 126 THR HA H 126 3.482 3.482 3.960 -0.478 19654 12758 1 17 . 1 1 126 126 THR CA C 126 68.679 68.679 67.439 1.240 19654 12759 1 17 . 1 1 126 126 THR CB C 126 67.075 67.075 68.146 -1.071 19654 12760 1 17 . 1 1 126 126 THR H H 126 8.056 8.056 8.131 -0.075 19654 12761 1 17 . 1 1 127 127 ASP N N 127 120.236 120.236 122.062 -1.826 19654 12762 1 17 . 1 1 127 127 ASP HA H 127 4.481 4.481 4.645 -0.164 19654 12763 1 17 . 1 1 127 127 ASP CA C 127 58.322 58.322 57.694 0.628 19654 12764 1 17 . 1 1 127 127 ASP CB C 127 41.822 41.822 41.046 0.776 19654 12765 1 17 . 1 1 127 127 ASP H H 127 8.813 8.813 8.295 0.518 19654 12766 1 17 . 1 1 128 128 VAL N N 128 116.904 116.904 119.691 -2.787 19654 12767 1 17 . 1 1 128 128 VAL HA H 128 3.677 3.677 3.669 0.008 19654 12768 1 17 . 1 1 128 128 VAL CA C 128 66.346 66.346 66.688 -0.341 19654 12769 1 17 . 1 1 128 128 VAL CB C 128 31.351 31.351 31.977 -0.626 19654 12770 1 17 . 1 1 128 128 VAL H H 128 7.949 7.949 7.954 -0.005 19654 12771 1 17 . 1 1 129 129 LEU N N 129 121.043 121.043 120.893 0.150 19654 12772 1 17 . 1 1 129 129 LEU HA H 129 3.819 3.819 3.849 -0.030 19654 12773 1 17 . 1 1 129 129 LEU CA C 129 58.742 58.742 58.285 0.458 19654 12774 1 17 . 1 1 129 129 LEU CB C 129 42.370 42.370 41.805 0.565 19654 12775 1 17 . 1 1 129 129 LEU H H 129 8.198 8.198 7.873 0.325 19654 12776 1 17 . 1 1 130 130 VAL N N 130 114.370 114.370 117.276 -2.906 19654 12777 1 17 . 1 1 130 130 VAL HA H 130 3.525 3.525 3.702 -0.177 19654 12778 1 17 . 1 1 130 130 VAL CA C 130 66.004 66.004 65.675 0.329 19654 12779 1 17 . 1 1 130 130 VAL CB C 130 31.320 31.320 31.154 0.166 19654 12780 1 17 . 1 1 130 130 VAL H H 130 8.858 8.858 7.981 0.877 19654 12781 1 17 . 1 1 131 131 ARG N N 131 115.890 115.890 119.854 -3.964 19654 12782 1 17 . 1 1 131 131 ARG HA H 131 4.284 4.284 4.120 0.164 19654 12783 1 17 . 1 1 131 131 ARG CA C 131 59.255 59.255 59.139 0.116 19654 12784 1 17 . 1 1 131 131 ARG CB C 131 30.009 30.009 30.330 -0.321 19654 12785 1 17 . 1 1 131 131 ARG H H 131 8.619 8.619 8.249 0.370 19654 12786 1 17 . 1 1 132 132 THR N N 132 106.654 106.654 109.940 -3.286 19654 12787 1 17 . 1 1 132 132 THR HA H 132 4.464 4.464 4.399 0.065 19654 12788 1 17 . 1 1 132 132 THR CA C 132 64.081 64.081 62.111 1.970 19654 12789 1 17 . 1 1 132 132 THR CB C 132 69.870 69.870 70.213 -0.343 19654 12790 1 17 . 1 1 132 132 THR H H 132 7.530 7.530 7.822 -0.291 19654 12791 1 17 . 1 1 133 133 LYS N N 133 117.426 117.426 119.249 -1.823 19654 12792 1 17 . 1 1 133 133 LYS HA H 133 5.029 5.029 4.803 0.226 19654 12793 1 17 . 1 1 133 133 LYS CA C 133 53.009 53.009 55.025 -2.015 19654 12794 1 17 . 1 1 133 133 LYS CB C 133 31.044 31.044 31.966 -0.922 19654 12795 1 17 . 1 1 133 133 LYS H H 133 7.691 7.691 7.487 0.204 19654 12796 1 17 . 1 1 134 134 ARG N N 134 120.904 120.904 123.034 -2.130 19654 12797 1 17 . 1 1 134 134 ARG HA H 134 3.679 3.679 3.817 -0.138 19654 12798 1 17 . 1 1 134 134 ARG CA C 134 61.456 61.456 61.162 0.294 19654 12799 1 17 . 1 1 134 134 ARG CB C 134 30.261 30.261 30.158 0.103 19654 12800 1 17 . 1 1 134 134 ARG H H 134 7.341 7.341 7.814 -0.473 19654 12801 1 17 . 1 1 135 135 ASP N N 135 114.262 114.262 119.768 -5.506 19654 12802 1 17 . 1 1 135 135 ASP HA H 135 4.238 4.238 4.344 -0.106 19654 12803 1 17 . 1 1 135 135 ASP CA C 135 57.595 57.595 57.984 -0.389 19654 12804 1 17 . 1 1 135 135 ASP CB C 135 39.961 39.961 39.662 0.299 19654 12805 1 17 . 1 1 135 135 ASP H H 135 8.386 8.386 8.761 -0.375 19654 12806 1 17 . 1 1 136 136 TRP N N 136 121.564 121.564 120.620 0.944 19654 12807 1 17 . 1 1 136 136 TRP HA H 136 3.858 3.858 4.320 -0.462 19654 12808 1 17 . 1 1 136 136 TRP CA C 136 62.373 62.373 60.238 2.135 19654 12809 1 17 . 1 1 136 136 TRP CB C 136 28.807 28.807 28.989 -0.182 19654 12810 1 17 . 1 1 136 136 TRP H H 136 7.844 7.844 8.153 -0.309 19654 12811 1 17 . 1 1 137 137 LEU N N 137 117.395 117.395 118.842 -1.447 19654 12812 1 17 . 1 1 137 137 LEU HA H 137 3.461 3.461 3.833 -0.372 19654 12813 1 17 . 1 1 137 137 LEU CA C 137 58.325 58.325 58.101 0.224 19654 12814 1 17 . 1 1 137 137 LEU CB C 137 42.979 42.979 41.343 1.636 19654 12815 1 17 . 1 1 137 137 LEU H H 137 8.623 8.623 8.010 0.613 19654 12816 1 17 . 1 1 138 138 VAL N N 138 118.341 118.341 117.697 0.644 19654 12817 1 17 . 1 1 138 138 VAL HA H 138 3.586 3.586 3.777 -0.191 19654 12818 1 17 . 1 1 138 138 VAL CA C 138 66.501 66.501 65.462 1.039 19654 12819 1 17 . 1 1 138 138 VAL CB C 138 31.588 31.588 31.794 -0.206 19654 12820 1 17 . 1 1 138 138 VAL H H 138 8.631 8.631 7.570 1.061 19654 12821 1 17 . 1 1 139 139 LYS N N 139 122.096 122.096 119.862 2.234 19654 12822 1 17 . 1 1 139 139 LYS HA H 139 3.941 3.941 4.004 -0.063 19654 12823 1 17 . 1 1 139 139 LYS CA C 139 58.925 58.925 58.849 0.076 19654 12824 1 17 . 1 1 139 139 LYS CB C 139 31.752 31.752 32.122 -0.370 19654 12825 1 17 . 1 1 139 139 LYS H H 139 7.695 7.695 8.481 -0.786 19654 12826 1 17 . 1 1 140 140 GLN N N 140 115.416 115.416 115.448 -0.032 19654 12827 1 17 . 1 1 140 140 GLN HA H 140 3.970 3.970 4.546 -0.576 19654 12828 1 17 . 1 1 140 140 GLN CA C 140 54.309 54.309 54.482 -0.173 19654 12829 1 17 . 1 1 140 140 GLN CB C 140 27.174 27.174 29.630 -2.456 19654 12830 1 17 . 1 1 140 140 GLN H H 140 7.344 7.344 8.121 -0.777 19654 12831 1 17 . 1 1 141 141 ARG N N 141 110.160 110.160 115.681 -5.521 19654 12832 1 17 . 1 1 141 141 ARG HA H 141 3.899 3.899 3.968 -0.069 19654 12833 1 17 . 1 1 141 141 ARG CA C 141 57.400 57.400 56.525 0.875 19654 12834 1 17 . 1 1 141 141 ARG CB C 141 25.640 25.640 27.269 -1.629 19654 12835 1 17 . 1 1 141 141 ARG H H 141 7.677 7.677 7.254 0.423 19654 12836 1 17 . 1 1 142 142 GLY N N 142 107.741 107.741 107.391 0.350 19654 12837 1 17 . 1 1 142 142 GLY CA C 142 45.633 45.633 46.919 -1.286 19654 12838 1 17 . 1 1 142 142 GLY H H 142 8.931 8.931 8.677 0.254 19654 12839 1 17 . 1 1 143 143 TRP N N 143 123.871 123.871 121.460 2.411 19654 12840 1 17 . 1 1 143 143 TRP HA H 143 4.273 4.273 4.344 -0.071 19654 12841 1 17 . 1 1 143 143 TRP CA C 143 59.317 59.317 59.126 0.192 19654 12842 1 17 . 1 1 143 143 TRP CB C 143 28.435 28.435 29.272 -0.837 19654 12843 1 17 . 1 1 143 143 TRP H H 143 9.004 9.004 7.568 1.436 19654 12844 1 17 . 1 1 144 144 ASP N N 144 119.481 119.481 118.865 0.616 19654 12845 1 17 . 1 1 144 144 ASP HA H 144 4.553 4.553 4.416 0.137 19654 12846 1 17 . 1 1 144 144 ASP CA C 144 57.825 57.825 57.526 0.299 19654 12847 1 17 . 1 1 144 144 ASP CB C 144 40.435 40.435 40.329 0.106 19654 12848 1 17 . 1 1 144 144 ASP H H 144 8.071 8.071 8.102 -0.031 19654 12849 1 17 . 1 1 145 145 GLY N N 145 109.653 109.653 108.147 1.506 19654 12850 1 17 . 1 1 145 145 GLY CA C 145 46.856 46.856 46.676 0.180 19654 12851 1 17 . 1 1 145 145 GLY H H 145 7.493 7.493 8.412 -0.919 19654 12852 1 17 . 1 1 146 146 PHE N N 146 124.053 124.053 123.289 0.764 19654 12853 1 17 . 1 1 146 146 PHE HA H 146 2.455 2.455 4.222 -1.767 19654 12854 1 17 . 1 1 146 146 PHE CA C 146 60.349 60.349 60.499 -0.150 19654 12855 1 17 . 1 1 146 146 PHE CB C 146 38.607 38.607 39.222 -0.615 19654 12856 1 17 . 1 1 146 146 PHE H H 146 7.257 7.257 8.117 -0.860 19654 12857 1 17 . 1 1 147 147 VAL N N 147 116.525 116.525 118.396 -1.871 19654 12858 1 17 . 1 1 147 147 VAL HA H 147 3.298 3.298 3.334 -0.036 19654 12859 1 17 . 1 1 147 147 VAL CA C 147 66.080 66.080 66.135 -0.055 19654 12860 1 17 . 1 1 147 147 VAL CB C 147 31.904 31.904 30.872 1.032 19654 12861 1 17 . 1 1 147 147 VAL H H 147 7.700 7.700 7.620 0.080 19654 12862 1 17 . 1 1 148 148 GLU N N 148 118.404 118.404 120.541 -2.137 19654 12863 1 17 . 1 1 148 148 GLU HA H 148 3.985 3.985 4.073 -0.088 19654 12864 1 17 . 1 1 148 148 GLU CA C 148 58.933 58.933 58.987 -0.054 19654 12865 1 17 . 1 1 148 148 GLU CB C 148 29.535 29.535 29.254 0.281 19654 12866 1 17 . 1 1 148 148 GLU H H 148 7.801 7.801 8.096 -0.295 19654 12867 1 17 . 1 1 149 149 PHE N N 149 120.305 120.305 121.404 -1.099 19654 12868 1 17 . 1 1 149 149 PHE HA H 149 3.970 3.970 4.450 -0.480 19654 12869 1 17 . 1 1 149 149 PHE CA C 149 61.341 61.341 60.841 0.500 19654 12870 1 17 . 1 1 149 149 PHE CB C 149 39.011 39.011 39.585 -0.574 19654 12871 1 17 . 1 1 149 149 PHE H H 149 8.358 8.358 8.250 0.108 19654 12872 1 17 . 1 1 150 150 PHE N N 150 112.582 112.582 114.420 -1.838 19654 12873 1 17 . 1 1 150 150 PHE HA H 150 4.255 4.255 4.364 -0.109 19654 12874 1 17 . 1 1 150 150 PHE CA C 150 59.075 59.075 58.989 0.086 19654 12875 1 17 . 1 1 150 150 PHE CB C 150 39.487 39.487 39.441 0.046 19654 12876 1 17 . 1 1 150 150 PHE H H 150 6.927 6.927 7.648 -0.721 19654 12877 1 17 . 1 1 151 151 HIS N N 151 118.966 118.966 117.041 1.925 19654 12878 1 17 . 1 1 151 151 HIS HA H 151 4.370 4.370 4.289 0.081 19654 12879 1 17 . 1 1 151 151 HIS CA C 151 56.788 56.788 56.642 0.146 19654 12880 1 17 . 1 1 151 151 HIS CB C 151 28.827 28.827 27.757 1.070 19654 12881 1 17 . 1 1 151 151 HIS H H 151 7.483 7.483 7.656 -0.173 19654 12882 1 17 . 1 1 152 152 VAL N N 152 120.499 120.499 120.297 0.202 19654 12883 1 17 . 1 1 152 152 VAL HA H 152 3.950 3.950 4.054 -0.104 19654 12884 1 17 . 1 1 152 152 VAL CA C 152 62.110 62.110 64.745 -2.635 19654 12885 1 17 . 1 1 152 152 VAL CB C 152 32.593 32.593 32.883 -0.290 19654 12886 1 17 . 1 1 152 152 VAL H H 152 8.103 8.103 8.014 0.089 19654 12887 1 17 . 1 1 153 153 GLU N N 153 123.580 123.580 120.628 2.952 19654 12888 1 17 . 1 1 153 153 GLU HA H 153 4.162 4.162 4.398 -0.236 19654 12889 1 17 . 1 1 153 153 GLU CA C 153 56.433 56.433 55.374 1.059 19654 12890 1 17 . 1 1 153 153 GLU CB C 153 30.101 30.101 28.042 2.059 19654 12891 1 17 . 1 1 153 153 GLU H H 153 8.446 8.446 8.407 0.039 19654 12892 1 17 . 1 1 154 154 ASP N N 154 120.964 120.964 119.178 1.786 19654 12893 1 17 . 1 1 154 154 ASP HA H 154 4.565 4.565 4.622 -0.057 19654 12894 1 17 . 1 1 154 154 ASP CA C 154 54.106 54.106 53.644 0.462 19654 12895 1 17 . 1 1 154 154 ASP CB C 154 40.836 40.836 43.179 -2.343 19654 12896 1 17 . 1 1 154 154 ASP H H 154 8.325 8.325 7.334 0.991 19654 12897 1 17 . 1 1 155 155 LEU N N 155 122.311 122.311 114.652 7.659 19654 12898 1 17 . 1 1 155 155 LEU HA H 155 4.230 4.230 5.054 -0.824 19654 12899 1 17 . 1 1 155 155 LEU CA C 155 55.340 55.340 55.327 0.013 19654 12900 1 17 . 1 1 155 155 LEU CB C 155 42.094 42.094 43.386 -1.292 19654 12901 1 17 . 1 1 155 155 LEU H H 155 8.210 8.210 8.343 -0.133 19654 12902 1 17 . 1 1 156 156 GLU N N 156 120.023 120.023 118.885 1.138 19654 12903 1 17 . 1 1 156 156 GLU HA H 156 4.218 4.218 4.398 -0.180 19654 12904 1 17 . 1 1 156 156 GLU CA C 156 56.831 56.831 56.251 0.580 19654 12905 1 17 . 1 1 156 156 GLU CB C 156 29.930 29.930 32.402 -2.472 19654 12906 1 17 . 1 1 156 156 GLU H H 156 8.396 8.396 8.374 0.022 19654 12907 1 17 . 1 1 157 157 GLY N N 157 109.371 109.371 109.962 -0.591 19654 12908 1 17 . 1 1 157 157 GLY CA C 157 45.327 45.327 45.587 -0.260 19654 12909 1 17 . 1 1 157 157 GLY H H 157 8.323 8.323 7.940 0.383 19654 12910 1 17 . 1 1 158 158 GLY N N 158 108.074 108.074 108.160 -0.086 19654 12911 1 17 . 1 1 158 158 GLY CA C 158 45.061 45.061 44.916 0.145 19654 12912 1 17 . 1 1 158 158 GLY H H 158 8.226 8.226 7.827 0.399 19654 12913 1 17 . 1 1 159 159 HIS N N 159 117.875 117.875 121.508 -3.633 19654 12914 1 17 . 1 1 159 159 HIS HA H 159 4.551 4.551 4.284 0.267 19654 12915 1 17 . 1 1 159 159 HIS CA C 159 55.600 55.600 56.075 -0.475 19654 12916 1 17 . 1 1 159 159 HIS CB C 159 29.800 29.800 29.716 0.084 19654 12917 1 17 . 1 1 159 159 HIS H H 159 8.210 8.210 8.403 -0.193 19654 12918 1 17 . 1 1 161 161 HIS N N 161 125.094 125.094 117.986 7.108 19654 12919 1 17 . 1 1 161 161 HIS HA H 161 4.585 4.585 4.667 -0.082 19654 12920 1 17 . 1 1 161 161 HIS H H 161 8.162 8.162 8.176 -0.014 19654 12921 1 18 . 1 1 2 2 GLU HA H 2 4.333 4.333 4.771 -0.438 19654 12922 1 18 . 1 1 2 2 GLU CA C 2 56.183 56.183 55.863 0.320 19654 12923 1 18 . 1 1 2 2 GLU CB C 2 30.150 30.150 32.177 -2.027 19654 12924 1 18 . 1 1 3 3 ASP N N 3 122.553 122.553 118.778 3.775 19654 12925 1 18 . 1 1 3 3 ASP HA H 3 4.729 4.729 4.724 0.005 19654 12926 1 18 . 1 1 3 3 ASP CA C 3 53.659 53.659 53.074 0.585 19654 12927 1 18 . 1 1 3 3 ASP CB C 3 41.319 41.319 43.706 -2.388 19654 12928 1 18 . 1 1 3 3 ASP H H 3 8.437 8.437 8.241 0.196 19654 12929 1 18 . 1 1 4 4 GLU N N 4 125.121 125.121 119.198 5.923 19654 12930 1 18 . 1 1 4 4 GLU HA H 4 4.235 4.235 4.136 0.099 19654 12931 1 18 . 1 1 4 4 GLU CA C 4 58.915 58.915 59.297 -0.382 19654 12932 1 18 . 1 1 4 4 GLU CB C 4 29.274 29.274 29.918 -0.644 19654 12933 1 18 . 1 1 4 4 GLU H H 4 8.726 8.726 8.644 0.082 19654 12934 1 18 . 1 1 5 5 LEU N N 5 120.976 120.976 120.389 0.587 19654 12935 1 18 . 1 1 5 5 LEU HA H 5 4.517 4.517 4.170 0.347 19654 12936 1 18 . 1 1 5 5 LEU CA C 5 57.939 57.939 57.740 0.199 19654 12937 1 18 . 1 1 5 5 LEU CB C 5 40.917 40.917 41.769 -0.852 19654 12938 1 18 . 1 1 5 5 LEU H H 5 8.381 8.381 8.089 0.292 19654 12939 1 18 . 1 1 6 6 TYR N N 6 123.977 123.977 120.104 3.873 19654 12940 1 18 . 1 1 6 6 TYR HA H 6 3.865 3.865 4.205 -0.340 19654 12941 1 18 . 1 1 6 6 TYR CA C 6 62.721 62.721 61.644 1.077 19654 12942 1 18 . 1 1 6 6 TYR CB C 6 38.475 38.475 38.308 0.167 19654 12943 1 18 . 1 1 6 6 TYR H H 6 8.342 8.342 8.060 0.282 19654 12944 1 18 . 1 1 7 7 ARG N N 7 118.301 118.301 117.913 0.388 19654 12945 1 18 . 1 1 7 7 ARG HA H 7 3.828 3.828 3.895 -0.067 19654 12946 1 18 . 1 1 7 7 ARG CA C 7 59.619 59.619 58.258 1.361 19654 12947 1 18 . 1 1 7 7 ARG CB C 7 29.720 29.720 29.246 0.474 19654 12948 1 18 . 1 1 7 7 ARG H H 7 8.452 8.452 7.979 0.473 19654 12949 1 18 . 1 1 8 8 GLN N N 8 119.421 119.421 120.178 -0.757 19654 12950 1 18 . 1 1 8 8 GLN HA H 8 3.944 3.944 3.999 -0.055 19654 12951 1 18 . 1 1 8 8 GLN CA C 8 58.827 58.827 59.251 -0.424 19654 12952 1 18 . 1 1 8 8 GLN CB C 8 28.918 28.918 28.891 0.027 19654 12953 1 18 . 1 1 8 8 GLN H H 8 8.894 8.894 8.679 0.215 19654 12954 1 18 . 1 1 9 9 SER N N 9 113.384 113.384 116.251 -2.867 19654 12955 1 18 . 1 1 9 9 SER HA H 9 4.007 4.007 3.950 0.057 19654 12956 1 18 . 1 1 9 9 SER CA C 9 62.117 62.117 61.708 0.409 19654 12957 1 18 . 1 1 9 9 SER CB C 9 63.544 63.544 63.317 0.227 19654 12958 1 18 . 1 1 9 9 SER H H 9 8.018 8.018 8.383 -0.365 19654 12959 1 18 . 1 1 10 10 LEU N N 10 121.112 121.112 124.459 -3.347 19654 12960 1 18 . 1 1 10 10 LEU HA H 10 4.130 4.130 4.007 0.123 19654 12961 1 18 . 1 1 10 10 LEU CA C 10 57.022 57.022 57.678 -0.656 19654 12962 1 18 . 1 1 10 10 LEU CB C 10 41.146 41.146 41.446 -0.300 19654 12963 1 18 . 1 1 10 10 LEU H H 10 8.599 8.599 8.320 0.279 19654 12964 1 18 . 1 1 11 11 GLU N N 11 120.653 120.653 119.834 0.819 19654 12965 1 18 . 1 1 11 11 GLU HA H 11 3.914 3.914 3.972 -0.058 19654 12966 1 18 . 1 1 11 11 GLU CA C 11 59.627 59.627 59.288 0.339 19654 12967 1 18 . 1 1 11 11 GLU CB C 11 29.298 29.298 29.622 -0.324 19654 12968 1 18 . 1 1 11 11 GLU H H 11 7.806 7.806 8.020 -0.214 19654 12969 1 18 . 1 1 12 12 ILE N N 12 117.297 117.297 119.572 -2.275 19654 12970 1 18 . 1 1 12 12 ILE HA H 12 3.121 3.121 3.482 -0.361 19654 12971 1 18 . 1 1 12 12 ILE CA C 12 65.774 65.774 65.527 0.247 19654 12972 1 18 . 1 1 12 12 ILE CB C 12 39.143 39.143 37.617 1.526 19654 12973 1 18 . 1 1 12 12 ILE H H 12 7.401 7.401 7.607 -0.206 19654 12974 1 18 . 1 1 13 13 ILE N N 13 117.560 117.560 118.973 -1.413 19654 12975 1 18 . 1 1 13 13 ILE HA H 13 3.302 3.302 3.543 -0.241 19654 12976 1 18 . 1 1 13 13 ILE CA C 13 66.420 66.420 65.700 0.720 19654 12977 1 18 . 1 1 13 13 ILE CB C 13 37.714 37.714 37.604 0.110 19654 12978 1 18 . 1 1 13 13 ILE H H 13 8.378 8.378 8.252 0.126 19654 12979 1 18 . 1 1 14 14 SER N N 14 113.892 113.892 116.864 -2.972 19654 12980 1 18 . 1 1 14 14 SER HA H 14 3.889 3.889 4.029 -0.140 19654 12981 1 18 . 1 1 14 14 SER CA C 14 62.310 62.310 62.137 0.173 19654 12982 1 18 . 1 1 14 14 SER CB C 14 62.282 62.282 62.782 -0.500 19654 12983 1 18 . 1 1 14 14 SER H H 14 9.048 9.048 8.469 0.579 19654 12984 1 18 . 1 1 15 15 ARG N N 15 118.890 118.890 121.500 -2.610 19654 12985 1 18 . 1 1 15 15 ARG HA H 15 4.033 4.033 3.986 0.047 19654 12986 1 18 . 1 1 15 15 ARG CA C 15 59.496 59.496 59.432 0.064 19654 12987 1 18 . 1 1 15 15 ARG CB C 15 29.727 29.727 30.004 -0.277 19654 12988 1 18 . 1 1 15 15 ARG H H 15 7.655 7.655 7.880 -0.225 19654 12989 1 18 . 1 1 16 16 TYR N N 16 119.757 119.757 121.672 -1.915 19654 12990 1 18 . 1 1 16 16 TYR HA H 16 4.146 4.146 4.154 -0.008 19654 12991 1 18 . 1 1 16 16 TYR CA C 16 61.265 61.265 61.364 -0.099 19654 12992 1 18 . 1 1 16 16 TYR CB C 16 38.495 38.495 38.241 0.254 19654 12993 1 18 . 1 1 16 16 TYR H H 16 8.351 8.351 7.913 0.438 19654 12994 1 18 . 1 1 17 17 LEU N N 17 118.494 118.494 119.145 -0.651 19654 12995 1 18 . 1 1 17 17 LEU HA H 17 3.375 3.375 3.764 -0.389 19654 12996 1 18 . 1 1 17 17 LEU CA C 17 59.627 59.627 58.143 1.484 19654 12997 1 18 . 1 1 17 17 LEU CB C 17 39.949 39.949 41.062 -1.113 19654 12998 1 18 . 1 1 17 17 LEU H H 17 8.578 8.578 8.682 -0.104 19654 12999 1 18 . 1 1 18 18 ARG N N 18 115.962 115.962 119.461 -3.499 19654 13000 1 18 . 1 1 18 18 ARG HA H 18 3.858 3.858 3.870 -0.012 19654 13001 1 18 . 1 1 18 18 ARG CA C 18 60.233 60.233 59.254 0.979 19654 13002 1 18 . 1 1 18 18 ARG CB C 18 29.993 29.993 29.634 0.359 19654 13003 1 18 . 1 1 18 18 ARG H H 18 8.044 8.044 8.208 -0.164 19654 13004 1 18 . 1 1 19 19 GLU N N 19 120.998 120.998 119.100 1.898 19654 13005 1 18 . 1 1 19 19 GLU HA H 19 4.153 4.153 4.146 0.007 19654 13006 1 18 . 1 1 19 19 GLU CA C 19 58.857 58.857 58.643 0.214 19654 13007 1 18 . 1 1 19 19 GLU CB C 19 29.661 29.661 28.798 0.863 19654 13008 1 18 . 1 1 19 19 GLU H H 19 8.268 8.268 8.195 0.073 19654 13009 1 18 . 1 1 20 20 GLN N N 20 119.903 119.903 117.945 1.958 19654 13010 1 18 . 1 1 20 20 GLN HA H 20 3.715 3.715 4.025 -0.310 19654 13011 1 18 . 1 1 20 20 GLN CA C 20 58.008 58.008 57.834 0.174 19654 13012 1 18 . 1 1 20 20 GLN CB C 20 28.666 28.666 27.960 0.706 19654 13013 1 18 . 1 1 20 20 GLN H H 20 8.193 8.193 8.193 -0.000 19654 13014 1 18 . 1 1 21 21 ALA N N 21 117.771 117.771 121.982 -4.211 19654 13015 1 18 . 1 1 21 21 ALA HA H 21 3.985 3.985 4.199 -0.214 19654 13016 1 18 . 1 1 21 21 ALA CA C 21 54.397 54.397 55.019 -0.622 19654 13017 1 18 . 1 1 21 21 ALA CB C 21 20.022 20.022 18.506 1.516 19654 13018 1 18 . 1 1 21 21 ALA H H 21 7.883 7.883 7.943 -0.060 19654 13019 1 18 . 1 1 22 22 THR N N 22 103.721 103.721 109.622 -5.901 19654 13020 1 18 . 1 1 22 22 THR HA H 22 4.279 4.279 4.226 0.053 19654 13021 1 18 . 1 1 22 22 THR CA C 22 62.357 62.357 62.831 -0.474 19654 13022 1 18 . 1 1 22 22 THR CB C 22 71.071 71.071 70.165 0.906 19654 13023 1 18 . 1 1 22 22 THR H H 22 8.024 8.024 8.019 0.005 19654 13024 1 18 . 1 1 23 23 GLY N N 23 111.610 111.610 110.556 1.054 19654 13025 1 18 . 1 1 23 23 GLY CA C 23 45.574 45.574 45.289 0.285 19654 13026 1 18 . 1 1 23 23 GLY H H 23 8.155 8.155 7.977 0.178 19654 13027 1 18 . 1 1 24 24 ALA N N 24 123.004 123.004 121.904 1.100 19654 13028 1 18 . 1 1 24 24 ALA HA H 24 4.526 4.526 4.749 -0.223 19654 13029 1 18 . 1 1 24 24 ALA CA C 24 50.763 50.763 51.750 -0.987 19654 13030 1 18 . 1 1 24 24 ALA CB C 24 20.186 20.186 21.062 -0.876 19654 13031 1 18 . 1 1 24 24 ALA H H 24 7.763 7.763 8.184 -0.421 19654 13032 1 18 . 1 1 25 25 LYS N N 25 121.392 121.392 119.054 2.338 19654 13033 1 18 . 1 1 25 25 LYS HA H 25 4.181 4.181 4.583 -0.402 19654 13034 1 18 . 1 1 25 25 LYS CA C 25 55.729 55.729 55.194 0.535 19654 13035 1 18 . 1 1 25 25 LYS CB C 25 33.175 33.175 34.513 -1.338 19654 13036 1 18 . 1 1 25 25 LYS H H 25 8.349 8.349 8.108 0.241 19654 13037 1 18 . 1 1 26 26 ASP N N 26 124.433 124.433 121.101 3.332 19654 13038 1 18 . 1 1 26 26 ASP HA H 26 4.618 4.618 4.646 -0.028 19654 13039 1 18 . 1 1 26 26 ASP CA C 26 53.735 53.735 53.502 0.233 19654 13040 1 18 . 1 1 26 26 ASP CB C 26 41.402 41.402 42.656 -1.254 19654 13041 1 18 . 1 1 26 26 ASP H H 26 8.803 8.803 8.493 0.310 19654 13042 1 18 . 1 1 27 27 THR N N 27 116.332 116.332 112.432 3.900 19654 13043 1 18 . 1 1 27 27 THR HA H 27 4.249 4.249 4.396 -0.147 19654 13044 1 18 . 1 1 27 27 THR CA C 27 61.268 61.268 62.050 -0.782 19654 13045 1 18 . 1 1 27 27 THR CB C 27 68.993 68.993 69.175 -0.182 19654 13046 1 18 . 1 1 27 27 THR H H 27 8.363 8.363 8.014 0.349 19654 13047 1 18 . 1 1 28 28 LYS N N 28 125.551 125.551 123.536 2.015 19654 13048 1 18 . 1 1 28 28 LYS HA H 28 4.437 4.437 4.753 -0.316 19654 13049 1 18 . 1 1 28 28 LYS CA C 28 55.188 55.188 53.852 1.336 19654 13050 1 18 . 1 1 28 28 LYS CB C 28 31.409 31.409 32.691 -1.282 19654 13051 1 18 . 1 1 28 28 LYS H H 28 8.346 8.346 8.444 -0.099 19654 13052 1 18 . 1 1 29 29 PRO HA H 29 4.392 4.392 4.295 0.097 19654 13053 1 18 . 1 1 29 29 PRO CA C 29 63.164 63.164 63.412 -0.248 19654 13054 1 18 . 1 1 29 29 PRO CB C 29 31.904 31.904 32.067 -0.163 19654 13055 1 18 . 1 1 30 30 MET N N 30 121.136 121.136 120.642 0.494 19654 13056 1 18 . 1 1 30 30 MET HA H 30 4.381 4.381 4.522 -0.141 19654 13057 1 18 . 1 1 30 30 MET CA C 30 55.229 55.229 54.645 0.584 19654 13058 1 18 . 1 1 30 30 MET CB C 30 33.819 33.819 33.673 0.146 19654 13059 1 18 . 1 1 30 30 MET H H 30 8.585 8.585 8.102 0.483 19654 13060 1 18 . 1 1 31 31 GLY N N 31 109.849 109.849 107.625 2.224 19654 13061 1 18 . 1 1 31 31 GLY CA C 31 44.983 44.983 44.505 0.478 19654 13062 1 18 . 1 1 31 31 GLY H H 31 8.930 8.930 8.725 0.205 19654 13063 1 18 . 1 1 32 32 ARG N N 32 121.001 121.001 121.102 -0.101 19654 13064 1 18 . 1 1 32 32 ARG HA H 32 4.239 4.239 4.194 0.045 19654 13065 1 18 . 1 1 32 32 ARG CA C 32 56.755 56.755 57.395 -0.640 19654 13066 1 18 . 1 1 32 32 ARG CB C 32 30.110 30.110 30.246 -0.136 19654 13067 1 18 . 1 1 32 32 ARG H H 32 8.447 8.447 8.518 -0.071 19654 13068 1 18 . 1 1 33 33 SER N N 33 119.991 119.991 114.146 5.845 19654 13069 1 18 . 1 1 33 33 SER HA H 33 4.386 4.386 4.447 -0.061 19654 13070 1 18 . 1 1 33 33 SER CA C 33 58.502 58.502 58.360 0.142 19654 13071 1 18 . 1 1 33 33 SER CB C 33 62.609 62.609 63.412 -0.803 19654 13072 1 18 . 1 1 33 33 SER H H 33 8.667 8.667 7.922 0.745 19654 13073 1 18 . 1 1 34 34 GLY N N 34 108.582 108.582 109.893 -1.311 19654 13074 1 18 . 1 1 34 34 GLY CA C 34 46.637 46.637 44.816 1.821 19654 13075 1 18 . 1 1 34 34 GLY H H 34 8.216 8.216 8.369 -0.153 19654 13076 1 18 . 1 1 35 35 ALA N N 35 123.445 123.445 124.622 -1.177 19654 13077 1 18 . 1 1 35 35 ALA HA H 35 4.193 4.193 4.021 0.172 19654 13078 1 18 . 1 1 35 35 ALA CA C 35 54.770 54.770 55.286 -0.516 19654 13079 1 18 . 1 1 35 35 ALA CB C 35 18.437 18.437 18.324 0.113 19654 13080 1 18 . 1 1 35 35 ALA H H 35 8.506 8.506 8.435 0.071 19654 13081 1 18 . 1 1 36 36 THR N N 36 115.716 115.716 114.232 1.484 19654 13082 1 18 . 1 1 36 36 THR HA H 36 3.919 3.919 3.986 -0.067 19654 13083 1 18 . 1 1 36 36 THR CA C 36 67.249 67.249 66.708 0.541 19654 13084 1 18 . 1 1 36 36 THR CB C 36 68.225 68.225 68.541 -0.316 19654 13085 1 18 . 1 1 36 36 THR H H 36 8.262 8.262 8.307 -0.045 19654 13086 1 18 . 1 1 37 37 SER N N 37 117.911 117.911 117.243 0.668 19654 13087 1 18 . 1 1 37 37 SER HA H 37 3.869 3.869 4.136 -0.267 19654 13088 1 18 . 1 1 37 37 SER CA C 37 62.333 62.333 61.145 1.188 19654 13089 1 18 . 1 1 37 37 SER CB C 37 62.333 62.333 62.854 -0.521 19654 13090 1 18 . 1 1 37 37 SER H H 37 8.389 8.389 8.088 0.301 19654 13091 1 18 . 1 1 38 38 ARG N N 38 120.924 120.924 122.880 -1.956 19654 13092 1 18 . 1 1 38 38 ARG HA H 38 3.901 3.901 4.106 -0.205 19654 13093 1 18 . 1 1 38 38 ARG CA C 38 59.923 59.923 58.487 1.436 19654 13094 1 18 . 1 1 38 38 ARG CB C 38 29.759 29.759 29.781 -0.022 19654 13095 1 18 . 1 1 38 38 ARG H H 38 8.278 8.278 8.338 -0.060 19654 13096 1 18 . 1 1 39 39 LYS N N 39 119.172 119.172 118.786 0.386 19654 13097 1 18 . 1 1 39 39 LYS HA H 39 4.151 4.151 4.186 -0.035 19654 13098 1 18 . 1 1 39 39 LYS CA C 39 59.086 59.086 59.064 0.022 19654 13099 1 18 . 1 1 39 39 LYS CB C 39 32.807 32.807 32.140 0.667 19654 13100 1 18 . 1 1 39 39 LYS H H 39 7.930 7.930 8.206 -0.276 19654 13101 1 18 . 1 1 40 40 ALA N N 40 125.586 125.586 124.483 1.103 19654 13102 1 18 . 1 1 40 40 ALA HA H 40 4.175 4.175 4.195 -0.020 19654 13103 1 18 . 1 1 40 40 ALA CA C 40 55.633 55.633 55.051 0.582 19654 13104 1 18 . 1 1 40 40 ALA CB C 40 18.675 18.675 18.342 0.333 19654 13105 1 18 . 1 1 40 40 ALA H H 40 9.192 9.192 8.059 1.133 19654 13106 1 18 . 1 1 41 41 LEU N N 41 120.080 120.080 119.644 0.436 19654 13107 1 18 . 1 1 41 41 LEU HA H 41 3.930 3.930 3.865 0.065 19654 13108 1 18 . 1 1 41 41 LEU CA C 41 58.169 58.169 57.793 0.376 19654 13109 1 18 . 1 1 41 41 LEU CB C 41 41.683 41.683 41.636 0.047 19654 13110 1 18 . 1 1 41 41 LEU H H 41 8.209 8.209 8.219 -0.010 19654 13111 1 18 . 1 1 42 42 GLU N N 42 117.875 117.875 118.435 -0.560 19654 13112 1 18 . 1 1 42 42 GLU HA H 42 3.977 3.977 4.006 -0.029 19654 13113 1 18 . 1 1 42 42 GLU CA C 42 59.335 59.335 59.380 -0.045 19654 13114 1 18 . 1 1 42 42 GLU CB C 42 29.176 29.176 29.108 0.068 19654 13115 1 18 . 1 1 42 42 GLU H H 42 8.197 8.197 8.070 0.127 19654 13116 1 18 . 1 1 43 43 THR N N 43 116.912 116.912 117.107 -0.195 19654 13117 1 18 . 1 1 43 43 THR HA H 43 3.793 3.793 3.962 -0.169 19654 13118 1 18 . 1 1 43 43 THR CA C 43 67.517 67.517 67.228 0.289 19654 13119 1 18 . 1 1 43 43 THR CB C 43 68.089 68.089 68.503 -0.414 19654 13120 1 18 . 1 1 43 43 THR H H 43 8.183 8.183 7.753 0.430 19654 13121 1 18 . 1 1 44 44 LEU N N 44 123.099 123.099 121.537 1.562 19654 13122 1 18 . 1 1 44 44 LEU HA H 44 3.699 3.699 3.805 -0.106 19654 13123 1 18 . 1 1 44 44 LEU CA C 44 58.261 58.261 58.116 0.145 19654 13124 1 18 . 1 1 44 44 LEU CB C 44 40.988 40.988 41.291 -0.303 19654 13125 1 18 . 1 1 44 44 LEU H H 44 8.509 8.509 8.561 -0.052 19654 13126 1 18 . 1 1 45 45 ARG N N 45 116.885 116.885 117.091 -0.206 19654 13127 1 18 . 1 1 45 45 ARG HA H 45 4.125 4.125 4.219 -0.094 19654 13128 1 18 . 1 1 45 45 ARG CA C 45 59.617 59.617 59.529 0.089 19654 13129 1 18 . 1 1 45 45 ARG CB C 45 30.423 30.423 29.795 0.628 19654 13130 1 18 . 1 1 45 45 ARG H H 45 8.398 8.398 8.087 0.311 19654 13131 1 18 . 1 1 46 46 ARG N N 46 117.297 117.297 120.276 -2.979 19654 13132 1 18 . 1 1 46 46 ARG HA H 46 4.229 4.229 4.220 0.009 19654 13133 1 18 . 1 1 46 46 ARG CA C 46 58.427 58.427 58.846 -0.419 19654 13134 1 18 . 1 1 46 46 ARG CB C 46 30.408 30.408 30.154 0.254 19654 13135 1 18 . 1 1 46 46 ARG H H 46 7.421 7.421 7.501 -0.080 19654 13136 1 18 . 1 1 47 47 VAL N N 47 114.304 114.304 114.293 0.011 19654 13137 1 18 . 1 1 47 47 VAL HA H 47 4.094 4.094 4.057 0.037 19654 13138 1 18 . 1 1 47 47 VAL CA C 47 63.242 63.242 64.992 -1.750 19654 13139 1 18 . 1 1 47 47 VAL CB C 47 32.378 32.378 31.586 0.792 19654 13140 1 18 . 1 1 47 47 VAL H H 47 8.515 8.515 8.235 0.280 19654 13141 1 18 . 1 1 48 48 GLY N N 48 110.132 110.132 108.927 1.205 19654 13142 1 18 . 1 1 48 48 GLY CA C 48 46.588 46.588 47.479 -0.891 19654 13143 1 18 . 1 1 48 48 GLY H H 48 8.890 8.890 8.740 0.150 19654 13144 1 18 . 1 1 49 49 ASP N N 49 121.292 121.292 122.295 -1.003 19654 13145 1 18 . 1 1 49 49 ASP HA H 49 4.456 4.456 4.415 0.041 19654 13146 1 18 . 1 1 49 49 ASP CA C 49 57.787 57.787 57.610 0.177 19654 13147 1 18 . 1 1 49 49 ASP CB C 49 40.912 40.912 40.763 0.149 19654 13148 1 18 . 1 1 49 49 ASP H H 49 7.392 7.392 8.029 -0.637 19654 13149 1 18 . 1 1 50 50 GLY N N 50 106.682 106.682 107.999 -1.317 19654 13150 1 18 . 1 1 50 50 GLY CA C 50 46.932 46.932 46.916 0.016 19654 13151 1 18 . 1 1 50 50 GLY H H 50 8.132 8.132 7.577 0.555 19654 13152 1 18 . 1 1 51 51 VAL N N 51 121.747 121.747 123.045 -1.298 19654 13153 1 18 . 1 1 51 51 VAL HA H 51 3.944 3.944 3.781 0.163 19654 13154 1 18 . 1 1 51 51 VAL CA C 51 66.355 66.355 66.452 -0.097 19654 13155 1 18 . 1 1 51 51 VAL CB C 51 31.594 31.594 31.271 0.323 19654 13156 1 18 . 1 1 51 51 VAL H H 51 7.476 7.476 8.471 -0.995 19654 13157 1 18 . 1 1 52 52 GLN N N 52 118.494 118.494 118.081 0.413 19654 13158 1 18 . 1 1 52 52 GLN HA H 52 3.913 3.913 4.091 -0.178 19654 13159 1 18 . 1 1 52 52 GLN CA C 52 60.391 60.391 59.639 0.752 19654 13160 1 18 . 1 1 52 52 GLN CB C 52 29.682 29.682 28.609 1.073 19654 13161 1 18 . 1 1 52 52 GLN H H 52 8.439 8.439 8.474 -0.035 19654 13162 1 18 . 1 1 53 53 ARG N N 53 116.807 116.807 118.229 -1.422 19654 13163 1 18 . 1 1 53 53 ARG HA H 53 4.163 4.163 4.092 0.071 19654 13164 1 18 . 1 1 53 53 ARG CA C 53 59.086 59.086 59.138 -0.052 19654 13165 1 18 . 1 1 53 53 ARG CB C 53 30.009 30.009 30.247 -0.238 19654 13166 1 18 . 1 1 53 53 ARG H H 53 7.873 7.873 7.797 0.076 19654 13167 1 18 . 1 1 54 54 ASN N N 54 116.356 116.356 115.526 0.830 19654 13168 1 18 . 1 1 54 54 ASN HA H 54 4.448 4.448 4.563 -0.115 19654 13169 1 18 . 1 1 54 54 ASN CA C 54 54.694 54.694 55.400 -0.706 19654 13170 1 18 . 1 1 54 54 ASN CB C 54 38.302 38.302 38.550 -0.248 19654 13171 1 18 . 1 1 54 54 ASN H H 54 8.123 8.123 7.768 0.355 19654 13172 1 18 . 1 1 55 55 HIS N N 55 114.809 114.809 118.787 -3.978 19654 13173 1 18 . 1 1 55 55 HIS HA H 55 4.504 4.504 4.180 0.324 19654 13174 1 18 . 1 1 55 55 HIS CA C 55 55.949 55.949 58.843 -2.894 19654 13175 1 18 . 1 1 55 55 HIS CB C 55 28.341 28.341 29.851 -1.510 19654 13176 1 18 . 1 1 55 55 HIS H H 55 7.558 7.558 8.498 -0.940 19654 13177 1 18 . 1 1 56 56 GLU N N 56 121.943 121.943 120.468 1.475 19654 13178 1 18 . 1 1 56 56 GLU HA H 56 3.640 3.640 3.446 0.194 19654 13179 1 18 . 1 1 56 56 GLU CA C 56 61.360 61.360 60.210 1.150 19654 13180 1 18 . 1 1 56 56 GLU CB C 56 30.006 30.006 29.240 0.766 19654 13181 1 18 . 1 1 56 56 GLU H H 56 7.071 7.071 8.300 -1.229 19654 13182 1 18 . 1 1 57 57 THR N N 57 112.827 112.827 113.470 -0.643 19654 13183 1 18 . 1 1 57 57 THR HA H 57 3.984 3.984 4.087 -0.103 19654 13184 1 18 . 1 1 57 57 THR CA C 57 66.247 66.247 65.351 0.896 19654 13185 1 18 . 1 1 57 57 THR CB C 57 68.002 68.002 68.499 -0.497 19654 13186 1 18 . 1 1 57 57 THR H H 57 8.324 8.324 8.290 0.034 19654 13187 1 18 . 1 1 58 58 ALA N N 58 126.520 126.520 124.133 2.387 19654 13188 1 18 . 1 1 58 58 ALA HA H 58 4.147 4.147 4.045 0.102 19654 13189 1 18 . 1 1 58 58 ALA CA C 58 54.707 54.707 54.622 0.085 19654 13190 1 18 . 1 1 58 58 ALA CB C 58 17.734 17.734 17.918 -0.184 19654 13191 1 18 . 1 1 58 58 ALA H H 58 7.910 7.910 7.152 0.758 19654 13192 1 18 . 1 1 59 59 PHE N N 59 119.326 119.326 117.834 1.492 19654 13193 1 18 . 1 1 59 59 PHE HA H 59 4.518 4.518 4.254 0.264 19654 13194 1 18 . 1 1 59 59 PHE CA C 59 56.946 56.946 58.976 -2.030 19654 13195 1 18 . 1 1 59 59 PHE CB C 59 34.583 34.583 37.811 -3.228 19654 13196 1 18 . 1 1 59 59 PHE H H 59 9.017 9.017 8.040 0.977 19654 13197 1 18 . 1 1 60 60 GLN N N 60 119.670 119.670 118.577 1.093 19654 13198 1 18 . 1 1 60 60 GLN HA H 60 4.232 4.232 4.186 0.046 19654 13199 1 18 . 1 1 60 60 GLN CA C 60 59.359 59.359 59.580 -0.221 19654 13200 1 18 . 1 1 60 60 GLN CB C 60 28.009 28.009 27.939 0.070 19654 13201 1 18 . 1 1 60 60 GLN H H 60 8.678 8.678 8.686 -0.008 19654 13202 1 18 . 1 1 61 61 GLY N N 61 106.140 106.140 106.123 0.017 19654 13203 1 18 . 1 1 61 61 GLY CA C 61 47.085 47.085 47.041 0.044 19654 13204 1 18 . 1 1 61 61 GLY H H 61 7.975 7.975 7.960 0.015 19654 13205 1 18 . 1 1 62 62 MET N N 62 120.973 120.973 120.361 0.612 19654 13206 1 18 . 1 1 62 62 MET HA H 62 4.080 4.080 4.264 -0.184 19654 13207 1 18 . 1 1 62 62 MET CA C 62 58.752 58.752 58.342 0.410 19654 13208 1 18 . 1 1 62 62 MET CB C 62 33.824 33.824 32.684 1.140 19654 13209 1 18 . 1 1 62 62 MET H H 62 8.007 8.007 7.603 0.404 19654 13210 1 18 . 1 1 63 63 LEU N N 63 119.043 119.043 120.427 -1.384 19654 13211 1 18 . 1 1 63 63 LEU HA H 63 4.139 4.139 4.104 0.035 19654 13212 1 18 . 1 1 63 63 LEU CA C 63 57.645 57.645 57.979 -0.334 19654 13213 1 18 . 1 1 63 63 LEU CB C 63 42.173 42.173 41.067 1.106 19654 13214 1 18 . 1 1 63 63 LEU H H 63 8.394 8.394 8.504 -0.110 19654 13215 1 18 . 1 1 64 64 ARG N N 64 117.294 117.294 118.555 -1.261 19654 13216 1 18 . 1 1 64 64 ARG HA H 64 4.090 4.090 4.075 0.015 19654 13217 1 18 . 1 1 64 64 ARG CA C 64 58.551 58.551 58.757 -0.206 19654 13218 1 18 . 1 1 64 64 ARG CB C 64 29.772 29.772 30.032 -0.260 19654 13219 1 18 . 1 1 64 64 ARG H H 64 7.912 7.912 8.086 -0.174 19654 13220 1 18 . 1 1 65 65 LYS N N 65 116.840 116.840 117.498 -0.658 19654 13221 1 18 . 1 1 65 65 LYS HA H 65 4.165 4.165 4.321 -0.156 19654 13222 1 18 . 1 1 65 65 LYS CA C 65 57.175 57.175 57.763 -0.588 19654 13223 1 18 . 1 1 65 65 LYS CB C 65 32.299 32.299 33.014 -0.715 19654 13224 1 18 . 1 1 65 65 LYS H H 65 7.506 7.506 7.790 -0.284 19654 13225 1 18 . 1 1 66 66 LEU N N 66 119.257 119.257 119.808 -0.551 19654 13226 1 18 . 1 1 66 66 LEU HA H 66 4.232 4.232 4.432 -0.200 19654 13227 1 18 . 1 1 66 66 LEU CA C 66 55.442 55.442 55.123 0.319 19654 13228 1 18 . 1 1 66 66 LEU CB C 66 43.042 43.042 43.603 -0.561 19654 13229 1 18 . 1 1 66 66 LEU H H 66 7.736 7.736 7.582 0.154 19654 13230 1 18 . 1 1 67 67 ASP N N 67 119.743 119.743 112.782 6.961 19654 13231 1 18 . 1 1 67 67 ASP HA H 67 4.457 4.457 4.406 0.051 19654 13232 1 18 . 1 1 67 67 ASP CA C 67 53.850 53.850 56.178 -2.328 19654 13233 1 18 . 1 1 67 67 ASP CB C 67 40.195 40.195 40.878 -0.683 19654 13234 1 18 . 1 1 67 67 ASP H H 67 8.068 8.068 8.028 0.040 19654 13235 1 18 . 1 1 68 68 ILE N N 68 120.055 120.055 116.413 3.642 19654 13236 1 18 . 1 1 68 68 ILE HA H 68 3.870 3.870 3.962 -0.092 19654 13237 1 18 . 1 1 68 68 ILE CA C 68 61.524 61.524 61.806 -0.282 19654 13238 1 18 . 1 1 68 68 ILE CB C 68 37.986 37.986 37.139 0.847 19654 13239 1 18 . 1 1 68 68 ILE H H 68 8.275 8.275 8.141 0.134 19654 13240 1 18 . 1 1 69 69 LYS N N 69 126.186 126.186 125.500 0.686 19654 13241 1 18 . 1 1 69 69 LYS HA H 69 4.481 4.481 4.418 0.063 19654 13242 1 18 . 1 1 69 69 LYS CA C 69 56.304 56.304 56.451 -0.147 19654 13243 1 18 . 1 1 69 69 LYS CB C 69 34.136 34.136 33.389 0.747 19654 13244 1 18 . 1 1 69 69 LYS H H 69 9.722 9.722 8.892 0.830 19654 13245 1 18 . 1 1 70 70 ASN N N 70 115.056 115.056 115.932 -0.876 19654 13246 1 18 . 1 1 70 70 ASN HA H 70 4.700 4.700 4.792 -0.092 19654 13247 1 18 . 1 1 70 70 ASN CA C 70 51.977 51.977 52.029 -0.052 19654 13248 1 18 . 1 1 70 70 ASN CB C 70 39.474 39.474 39.551 -0.077 19654 13249 1 18 . 1 1 70 70 ASN H H 70 7.959 7.959 8.277 -0.318 19654 13250 1 18 . 1 1 71 71 GLU N N 71 118.214 118.214 119.243 -1.029 19654 13251 1 18 . 1 1 71 71 GLU HA H 71 3.967 3.967 3.941 0.026 19654 13252 1 18 . 1 1 71 71 GLU CA C 71 59.354 59.354 59.724 -0.370 19654 13253 1 18 . 1 1 71 71 GLU CB C 71 29.520 29.520 29.706 -0.186 19654 13254 1 18 . 1 1 71 71 GLU H H 71 8.831 8.831 8.889 -0.058 19654 13255 1 18 . 1 1 72 72 ASP N N 72 120.319 120.319 117.994 2.325 19654 13256 1 18 . 1 1 72 72 ASP HA H 72 4.422 4.422 4.337 0.085 19654 13257 1 18 . 1 1 72 72 ASP CA C 72 57.036 57.036 57.601 -0.565 19654 13258 1 18 . 1 1 72 72 ASP CB C 72 39.945 39.945 40.667 -0.723 19654 13259 1 18 . 1 1 72 72 ASP H H 72 8.167 8.167 8.182 -0.015 19654 13260 1 18 . 1 1 73 73 ASP N N 73 119.793 119.793 119.378 0.415 19654 13261 1 18 . 1 1 73 73 ASP HA H 73 4.521 4.521 4.415 0.106 19654 13262 1 18 . 1 1 73 73 ASP CA C 73 56.337 56.337 57.509 -1.172 19654 13263 1 18 . 1 1 73 73 ASP CB C 73 41.927 41.927 40.561 1.366 19654 13264 1 18 . 1 1 73 73 ASP H H 73 8.153 8.153 7.770 0.383 19654 13265 1 18 . 1 1 74 74 VAL N N 74 117.572 117.572 120.433 -2.861 19654 13266 1 18 . 1 1 74 74 VAL HA H 74 3.714 3.714 3.727 -0.013 19654 13267 1 18 . 1 1 74 74 VAL CA C 74 65.498 65.498 65.847 -0.349 19654 13268 1 18 . 1 1 74 74 VAL CB C 74 31.077 31.077 31.087 -0.010 19654 13269 1 18 . 1 1 74 74 VAL H H 74 7.629 7.629 7.460 0.169 19654 13270 1 18 . 1 1 75 75 LYS N N 75 119.403 119.403 119.144 0.259 19654 13271 1 18 . 1 1 75 75 LYS HA H 75 4.154 4.154 4.102 0.052 19654 13272 1 18 . 1 1 75 75 LYS CA C 75 59.034 59.034 58.399 0.635 19654 13273 1 18 . 1 1 75 75 LYS CB C 75 31.909 31.909 31.441 0.468 19654 13274 1 18 . 1 1 75 75 LYS H H 75 7.961 7.961 8.290 -0.329 19654 13275 1 18 . 1 1 76 76 SER N N 76 114.355 114.355 115.974 -1.619 19654 13276 1 18 . 1 1 76 76 SER HA H 76 4.453 4.453 4.307 0.146 19654 13277 1 18 . 1 1 76 76 SER CA C 76 60.061 60.061 61.289 -1.228 19654 13278 1 18 . 1 1 76 76 SER CB C 76 63.023 63.023 62.922 0.101 19654 13279 1 18 . 1 1 76 76 SER H H 76 7.919 7.919 7.840 0.079 19654 13280 1 18 . 1 1 77 77 LEU N N 77 121.954 121.954 121.865 0.089 19654 13281 1 18 . 1 1 77 77 LEU HA H 77 4.230 4.230 3.983 0.247 19654 13282 1 18 . 1 1 77 77 LEU CA C 77 56.764 56.764 58.004 -1.240 19654 13283 1 18 . 1 1 77 77 LEU CB C 77 41.695 41.695 41.527 0.168 19654 13284 1 18 . 1 1 77 77 LEU H H 77 7.883 7.883 7.997 -0.114 19654 13285 1 18 . 1 1 78 78 SER N N 78 115.268 115.268 114.170 1.098 19654 13286 1 18 . 1 1 78 78 SER HA H 78 3.962 3.962 4.080 -0.118 19654 13287 1 18 . 1 1 78 78 SER CA C 78 62.337 62.337 62.054 0.283 19654 13288 1 18 . 1 1 78 78 SER CB C 78 62.218 62.218 63.102 -0.884 19654 13289 1 18 . 1 1 78 78 SER H H 78 8.185 8.185 8.016 0.169 19654 13290 1 18 . 1 1 79 79 ARG N N 79 119.021 119.021 120.645 -1.624 19654 13291 1 18 . 1 1 79 79 ARG HA H 79 4.090 4.090 4.126 -0.036 19654 13292 1 18 . 1 1 79 79 ARG CA C 79 58.849 58.849 58.739 0.110 19654 13293 1 18 . 1 1 79 79 ARG CB C 79 29.930 29.930 29.789 0.141 19654 13294 1 18 . 1 1 79 79 ARG H H 79 7.684 7.684 7.507 0.177 19654 13295 1 18 . 1 1 80 80 VAL N N 80 116.979 116.979 120.945 -3.966 19654 13296 1 18 . 1 1 80 80 VAL HA H 80 3.953 3.953 3.830 0.123 19654 13297 1 18 . 1 1 80 80 VAL CA C 80 64.228 64.228 66.047 -1.819 19654 13298 1 18 . 1 1 80 80 VAL CB C 80 32.210 32.210 31.079 1.131 19654 13299 1 18 . 1 1 80 80 VAL H H 80 7.479 7.479 8.051 -0.572 19654 13300 1 18 . 1 1 81 81 MET N N 81 117.822 117.822 118.496 -0.674 19654 13301 1 18 . 1 1 81 81 MET HA H 81 4.053 4.053 4.061 -0.008 19654 13302 1 18 . 1 1 81 81 MET CA C 81 58.322 58.322 57.435 0.887 19654 13303 1 18 . 1 1 81 81 MET CB C 81 32.555 32.555 31.324 1.231 19654 13304 1 18 . 1 1 81 81 MET H H 81 8.104 8.104 8.319 -0.215 19654 13305 1 18 . 1 1 82 82 ILE N N 82 116.348 116.348 118.807 -2.459 19654 13306 1 18 . 1 1 82 82 ILE HA H 82 3.815 3.815 3.787 0.028 19654 13307 1 18 . 1 1 82 82 ILE CA C 82 63.653 63.653 65.000 -1.347 19654 13308 1 18 . 1 1 82 82 ILE CB C 82 37.879 37.879 37.407 0.472 19654 13309 1 18 . 1 1 82 82 ILE H H 82 7.789 7.789 8.038 -0.249 19654 13310 1 18 . 1 1 83 83 HIS N N 83 118.994 118.994 117.695 1.299 19654 13311 1 18 . 1 1 83 83 HIS HA H 83 4.409 4.409 4.492 -0.083 19654 13312 1 18 . 1 1 83 83 HIS CA C 83 58.245 58.245 59.381 -1.136 19654 13313 1 18 . 1 1 83 83 HIS CB C 83 29.735 29.735 29.799 -0.064 19654 13314 1 18 . 1 1 83 83 HIS H H 83 7.543 7.543 7.565 -0.022 19654 13315 1 18 . 1 1 84 84 VAL N N 84 117.112 117.112 120.314 -3.202 19654 13316 1 18 . 1 1 84 84 VAL HA H 84 3.631 3.631 3.633 -0.002 19654 13317 1 18 . 1 1 84 84 VAL CA C 84 64.628 64.628 66.065 -1.437 19654 13318 1 18 . 1 1 84 84 VAL CB C 84 31.904 31.904 31.480 0.423 19654 13319 1 18 . 1 1 84 84 VAL H H 84 7.713 7.713 8.111 -0.398 19654 13320 1 18 . 1 1 85 85 PHE N N 85 115.531 115.531 115.155 0.376 19654 13321 1 18 . 1 1 85 85 PHE HA H 85 4.733 4.733 4.458 0.275 19654 13322 1 18 . 1 1 85 85 PHE CA C 85 57.326 57.326 57.729 -0.403 19654 13323 1 18 . 1 1 85 85 PHE CB C 85 39.507 39.507 37.316 2.191 19654 13324 1 18 . 1 1 85 85 PHE H H 85 7.743 7.743 7.453 0.290 19654 13325 1 18 . 1 1 86 86 SER N N 86 114.812 114.812 115.947 -1.135 19654 13326 1 18 . 1 1 86 86 SER HA H 86 4.275 4.275 4.228 0.047 19654 13327 1 18 . 1 1 86 86 SER CA C 86 59.832 59.832 60.465 -0.633 19654 13328 1 18 . 1 1 86 86 SER CB C 86 63.482 63.482 63.620 -0.138 19654 13329 1 18 . 1 1 86 86 SER H H 86 7.634 7.634 7.713 -0.079 19654 13330 1 18 . 1 1 87 87 ASP N N 87 120.986 120.986 124.159 -3.173 19654 13331 1 18 . 1 1 87 87 ASP HA H 87 4.491 4.491 4.580 -0.089 19654 13332 1 18 . 1 1 87 87 ASP CA C 87 54.032 54.032 54.955 -0.923 19654 13333 1 18 . 1 1 87 87 ASP CB C 87 40.411 40.411 39.758 0.653 19654 13334 1 18 . 1 1 87 87 ASP H H 87 8.043 8.043 7.762 0.281 19654 13335 1 18 . 1 1 88 88 GLY N N 88 108.171 108.171 111.587 -3.416 19654 13336 1 18 . 1 1 88 88 GLY CA C 88 44.981 44.981 45.127 -0.146 19654 13337 1 18 . 1 1 88 88 GLY H H 88 8.163 8.163 8.212 -0.049 19654 13338 1 18 . 1 1 89 89 VAL N N 89 121.716 121.716 118.288 3.428 19654 13339 1 18 . 1 1 89 89 VAL HA H 89 3.879 3.879 4.440 -0.561 19654 13340 1 18 . 1 1 89 89 VAL CA C 89 62.471 62.471 58.850 3.621 19654 13341 1 18 . 1 1 89 89 VAL CB C 89 32.418 32.418 33.959 -1.540 19654 13342 1 18 . 1 1 89 89 VAL H H 89 7.886 7.886 7.547 0.339 19654 13343 1 18 . 1 1 90 90 THR N N 90 121.669 121.669 119.993 1.676 19654 13344 1 18 . 1 1 90 90 THR HA H 90 3.657 3.657 4.147 -0.490 19654 13345 1 18 . 1 1 90 90 THR CA C 90 62.473 62.473 63.101 -0.628 19654 13346 1 18 . 1 1 90 90 THR CB C 90 68.528 68.528 67.781 0.747 19654 13347 1 18 . 1 1 90 90 THR H H 90 8.201 8.201 8.352 -0.151 19654 13348 1 18 . 1 1 91 91 ASN HA H 91 4.162 4.162 4.662 -0.500 19654 13349 1 18 . 1 1 91 91 ASN CA C 91 51.748 51.748 52.308 -0.560 19654 13350 1 18 . 1 1 91 91 ASN CB C 91 39.645 39.645 41.446 -1.801 19654 13351 1 18 . 1 1 91 91 ASN H H 91 8.826 8.826 7.795 1.031 19654 13352 1 18 . 1 1 92 92 TRP N N 92 118.437 118.437 119.342 -0.905 19654 13353 1 18 . 1 1 92 92 TRP HA H 92 4.739 4.739 4.837 -0.098 19654 13354 1 18 . 1 1 92 92 TRP CA C 92 60.233 60.233 57.435 2.798 19654 13355 1 18 . 1 1 92 92 TRP CB C 92 30.167 30.167 30.294 -0.128 19654 13356 1 18 . 1 1 92 92 TRP H H 92 8.942 8.942 8.707 0.235 19654 13357 1 18 . 1 1 93 93 GLY N N 93 108.154 108.154 109.508 -1.354 19654 13358 1 18 . 1 1 93 93 GLY CA C 93 47.544 47.544 47.444 0.100 19654 13359 1 18 . 1 1 93 93 GLY H H 93 8.697 8.697 8.619 0.078 19654 13360 1 18 . 1 1 94 94 ARG N N 94 122.547 122.547 119.124 3.423 19654 13361 1 18 . 1 1 94 94 ARG HA H 94 4.072 4.072 3.980 0.092 19654 13362 1 18 . 1 1 94 94 ARG CA C 94 58.556 58.556 58.661 -0.105 19654 13363 1 18 . 1 1 94 94 ARG CB C 94 30.201 30.201 29.298 0.903 19654 13364 1 18 . 1 1 94 94 ARG H H 94 8.353 8.353 8.101 0.252 19654 13365 1 18 . 1 1 95 95 ILE N N 95 120.130 120.130 120.255 -0.125 19654 13366 1 18 . 1 1 95 95 ILE HA H 95 3.708 3.708 3.921 -0.213 19654 13367 1 18 . 1 1 95 95 ILE CA C 95 65.511 65.511 63.323 2.188 19654 13368 1 18 . 1 1 95 95 ILE CB C 95 37.486 37.486 36.914 0.572 19654 13369 1 18 . 1 1 95 95 ILE H H 95 7.545 7.545 7.804 -0.259 19654 13370 1 18 . 1 1 96 96 VAL N N 96 119.403 119.403 120.320 -0.917 19654 13371 1 18 . 1 1 96 96 VAL HA H 96 3.723 3.723 3.600 0.123 19654 13372 1 18 . 1 1 96 96 VAL CA C 96 67.249 67.249 67.210 0.039 19654 13373 1 18 . 1 1 96 96 VAL CB C 96 31.001 31.001 31.235 -0.234 19654 13374 1 18 . 1 1 96 96 VAL H H 96 8.990 8.990 7.855 1.135 19654 13375 1 18 . 1 1 97 97 THR N N 97 122.016 122.016 117.426 4.590 19654 13376 1 18 . 1 1 97 97 THR HA H 97 3.784 3.784 4.017 -0.233 19654 13377 1 18 . 1 1 97 97 THR CA C 97 68.159 68.159 66.971 1.188 19654 13378 1 18 . 1 1 97 97 THR CB C 97 67.212 67.212 68.755 -1.543 19654 13379 1 18 . 1 1 97 97 THR H H 97 8.605 8.605 8.436 0.169 19654 13380 1 18 . 1 1 98 98 LEU N N 98 122.476 122.476 123.576 -1.100 19654 13381 1 18 . 1 1 98 98 LEU HA H 98 3.805 3.805 4.033 -0.228 19654 13382 1 18 . 1 1 98 98 LEU CA C 98 58.818 58.818 58.264 0.554 19654 13383 1 18 . 1 1 98 98 LEU CB C 98 41.158 41.158 41.763 -0.605 19654 13384 1 18 . 1 1 98 98 LEU H H 98 7.769 7.769 7.624 0.145 19654 13385 1 18 . 1 1 99 99 ILE N N 99 117.997 117.997 117.670 0.327 19654 13386 1 18 . 1 1 99 99 ILE HA H 99 3.509 3.509 3.660 -0.151 19654 13387 1 18 . 1 1 99 99 ILE CA C 99 66.261 66.261 65.632 0.629 19654 13388 1 18 . 1 1 99 99 ILE CB C 99 38.350 38.350 37.551 0.799 19654 13389 1 18 . 1 1 99 99 ILE H H 99 8.175 8.175 8.044 0.131 19654 13390 1 18 . 1 1 100 100 SER N N 100 116.934 116.934 117.440 -0.506 19654 13391 1 18 . 1 1 100 100 SER HA H 100 4.447 4.447 4.539 -0.092 19654 13392 1 18 . 1 1 100 100 SER CA C 100 63.290 63.290 61.840 1.450 19654 13393 1 18 . 1 1 100 100 SER CB C 100 62.867 62.867 63.272 -0.405 19654 13394 1 18 . 1 1 100 100 SER H H 100 8.989 8.989 8.523 0.466 19654 13395 1 18 . 1 1 101 101 PHE N N 101 124.640 124.640 123.822 0.818 19654 13396 1 18 . 1 1 101 101 PHE HA H 101 3.420 3.420 3.860 -0.440 19654 13397 1 18 . 1 1 101 101 PHE CA C 101 60.499 60.499 59.823 0.676 19654 13398 1 18 . 1 1 101 101 PHE CB C 101 37.333 37.333 38.346 -1.013 19654 13399 1 18 . 1 1 101 101 PHE H H 101 8.513 8.513 8.261 0.252 19654 13400 1 18 . 1 1 102 102 GLY N N 102 106.116 106.116 106.732 -0.616 19654 13401 1 18 . 1 1 102 102 GLY CA C 102 48.166 48.166 46.953 1.213 19654 13402 1 18 . 1 1 102 102 GLY H H 102 8.111 8.111 7.967 0.144 19654 13403 1 18 . 1 1 103 103 ALA N N 103 124.560 124.560 124.599 -0.039 19654 13404 1 18 . 1 1 103 103 ALA HA H 103 3.780 3.780 3.921 -0.141 19654 13405 1 18 . 1 1 103 103 ALA CA C 103 55.646 55.646 54.733 0.913 19654 13406 1 18 . 1 1 103 103 ALA CB C 103 18.476 18.476 18.526 -0.050 19654 13407 1 18 . 1 1 103 103 ALA H H 103 8.437 8.437 8.100 0.337 19654 13408 1 18 . 1 1 104 104 PHE N N 104 120.981 120.981 119.762 1.219 19654 13409 1 18 . 1 1 104 104 PHE HA H 104 3.989 3.989 4.172 -0.183 19654 13410 1 18 . 1 1 104 104 PHE CA C 104 62.258 62.258 61.327 0.931 19654 13411 1 18 . 1 1 104 104 PHE CB C 104 39.949 39.949 39.398 0.551 19654 13412 1 18 . 1 1 104 104 PHE H H 104 8.213 8.213 8.198 0.015 19654 13413 1 18 . 1 1 105 105 VAL N N 105 120.473 120.473 119.209 1.264 19654 13414 1 18 . 1 1 105 105 VAL HA H 105 3.236 3.236 3.396 -0.160 19654 13415 1 18 . 1 1 105 105 VAL CA C 105 66.348 66.348 66.223 0.125 19654 13416 1 18 . 1 1 105 105 VAL CB C 105 30.720 30.720 31.020 -0.300 19654 13417 1 18 . 1 1 105 105 VAL H H 105 8.513 8.513 7.924 0.589 19654 13418 1 18 . 1 1 106 106 ALA N N 106 123.948 123.948 123.399 0.549 19654 13419 1 18 . 1 1 106 106 ALA HA H 106 3.660 3.660 3.813 -0.153 19654 13420 1 18 . 1 1 106 106 ALA CA C 106 55.607 55.607 55.616 -0.009 19654 13421 1 18 . 1 1 106 106 ALA CB C 106 18.003 18.003 18.191 -0.188 19654 13422 1 18 . 1 1 106 106 ALA H H 106 8.807 8.807 8.065 0.742 19654 13423 1 18 . 1 1 107 107 LYS N N 107 115.836 115.836 117.429 -1.593 19654 13424 1 18 . 1 1 107 107 LYS HA H 107 3.733 3.733 3.880 -0.147 19654 13425 1 18 . 1 1 107 107 LYS CA C 107 60.462 60.462 59.021 1.441 19654 13426 1 18 . 1 1 107 107 LYS CB C 107 31.907 31.907 31.771 0.136 19654 13427 1 18 . 1 1 107 107 LYS H H 107 7.934 7.934 7.674 0.260 19654 13428 1 18 . 1 1 108 108 HIS N N 108 120.459 120.459 120.321 0.138 19654 13429 1 18 . 1 1 108 108 HIS HA H 108 4.212 4.212 4.247 -0.035 19654 13430 1 18 . 1 1 108 108 HIS CA C 108 59.623 59.623 59.067 0.556 19654 13431 1 18 . 1 1 108 108 HIS CB C 108 29.838 29.838 29.647 0.191 19654 13432 1 18 . 1 1 108 108 HIS H H 108 7.254 7.254 7.424 -0.170 19654 13433 1 18 . 1 1 109 109 LEU N N 109 118.336 118.336 120.410 -2.074 19654 13434 1 18 . 1 1 109 109 LEU HA H 109 3.640 3.640 3.747 -0.107 19654 13435 1 18 . 1 1 109 109 LEU CA C 109 56.945 56.945 57.909 -0.964 19654 13436 1 18 . 1 1 109 109 LEU CB C 109 39.709 39.709 41.642 -1.933 19654 13437 1 18 . 1 1 109 109 LEU H H 109 8.709 8.709 8.331 0.378 19654 13438 1 18 . 1 1 110 110 LYS N N 110 118.036 118.036 118.854 -0.818 19654 13439 1 18 . 1 1 110 110 LYS HA H 110 3.944 3.944 3.916 0.028 19654 13440 1 18 . 1 1 110 110 LYS CA C 110 58.967 58.967 59.604 -0.637 19654 13441 1 18 . 1 1 110 110 LYS CB C 110 32.220 32.220 32.245 -0.025 19654 13442 1 18 . 1 1 110 110 LYS H H 110 7.752 7.752 8.165 -0.413 19654 13443 1 18 . 1 1 111 111 THR N N 111 115.985 115.985 116.160 -0.175 19654 13444 1 18 . 1 1 111 111 THR HA H 111 3.990 3.990 4.009 -0.019 19654 13445 1 18 . 1 1 111 111 THR CA C 111 65.921 65.921 66.067 -0.145 19654 13446 1 18 . 1 1 111 111 THR CB C 111 68.611 68.611 68.782 -0.171 19654 13447 1 18 . 1 1 111 111 THR H H 111 7.832 7.832 7.685 0.147 19654 13448 1 18 . 1 1 112 112 ILE N N 112 112.606 112.606 113.627 -1.021 19654 13449 1 18 . 1 1 112 112 ILE HA H 112 4.454 4.454 4.308 0.146 19654 13450 1 18 . 1 1 112 112 ILE CA C 112 60.922 60.922 60.620 0.302 19654 13451 1 18 . 1 1 112 112 ILE CB C 112 36.813 36.813 37.217 -0.404 19654 13452 1 18 . 1 1 112 112 ILE H H 112 7.262 7.262 7.258 0.004 19654 13453 1 18 . 1 1 113 113 ASN N N 113 116.297 116.297 115.728 0.569 19654 13454 1 18 . 1 1 113 113 ASN HA H 113 4.576 4.576 4.397 0.179 19654 13455 1 18 . 1 1 113 113 ASN CA C 113 54.653 54.653 55.096 -0.443 19654 13456 1 18 . 1 1 113 113 ASN CB C 113 36.497 36.497 36.887 -0.390 19654 13457 1 18 . 1 1 113 113 ASN H H 113 7.816 7.816 8.049 -0.233 19654 13458 1 18 . 1 1 114 114 GLN N N 114 117.958 117.958 118.148 -0.190 19654 13459 1 18 . 1 1 114 114 GLN HA H 114 4.739 4.739 4.347 0.392 19654 13460 1 18 . 1 1 114 114 GLN CA C 114 54.079 54.079 55.114 -1.035 19654 13461 1 18 . 1 1 114 114 GLN CB C 114 28.840 28.840 26.178 2.662 19654 13462 1 18 . 1 1 114 114 GLN H H 114 8.522 8.522 8.433 0.089 19654 13463 1 18 . 1 1 115 115 GLU N N 115 120.597 120.597 121.380 -0.783 19654 13464 1 18 . 1 1 115 115 GLU HA H 115 3.646 3.646 3.907 -0.261 19654 13465 1 18 . 1 1 115 115 GLU CA C 115 59.569 59.569 59.600 -0.031 19654 13466 1 18 . 1 1 115 115 GLU CB C 115 29.061 29.061 29.343 -0.282 19654 13467 1 18 . 1 1 115 115 GLU H H 115 8.881 8.881 7.782 1.099 19654 13468 1 18 . 1 1 116 116 SER N N 116 115.352 115.352 113.061 2.291 19654 13469 1 18 . 1 1 116 116 SER HA H 116 4.250 4.250 4.221 0.029 19654 13470 1 18 . 1 1 116 116 SER CA C 116 60.593 60.593 60.861 -0.268 19654 13471 1 18 . 1 1 116 116 SER CB C 116 62.231 62.231 62.969 -0.738 19654 13472 1 18 . 1 1 116 116 SER H H 116 8.702 8.702 8.515 0.187 19654 13473 1 18 . 1 1 117 117 SER N N 117 116.944 116.944 115.884 1.060 19654 13474 1 18 . 1 1 117 117 SER HA H 117 4.461 4.461 4.402 0.059 19654 13475 1 18 . 1 1 117 117 SER CA C 117 60.219 60.219 59.785 0.434 19654 13476 1 18 . 1 1 117 117 SER CB C 117 64.116 64.116 63.731 0.385 19654 13477 1 18 . 1 1 117 117 SER H H 117 7.963 7.963 7.642 0.321 19654 13478 1 18 . 1 1 118 118 ILE N N 118 122.505 122.505 122.784 -0.279 19654 13479 1 18 . 1 1 118 118 ILE HA H 118 3.419 3.419 3.564 -0.145 19654 13480 1 18 . 1 1 118 118 ILE CA C 118 66.227 66.227 65.455 0.772 19654 13481 1 18 . 1 1 118 118 ILE CB C 118 36.723 36.723 37.564 -0.841 19654 13482 1 18 . 1 1 118 118 ILE H H 118 7.945 7.945 7.567 0.378 19654 13483 1 18 . 1 1 119 119 GLU N N 119 119.604 119.604 119.425 0.179 19654 13484 1 18 . 1 1 119 119 GLU HA H 119 4.244 4.244 4.128 0.116 19654 13485 1 18 . 1 1 119 119 GLU CA C 119 61.540 61.540 61.660 -0.120 19654 13486 1 18 . 1 1 119 119 GLU CB C 119 26.092 26.092 27.626 -1.534 19654 13487 1 18 . 1 1 119 119 GLU H H 119 8.244 8.244 7.901 0.343 19654 13488 1 18 . 1 1 120 120 PRO HA H 120 4.446 4.446 4.493 -0.047 19654 13489 1 18 . 1 1 120 120 PRO CA C 120 65.583 65.583 65.478 0.105 19654 13490 1 18 . 1 1 120 120 PRO CB C 120 30.167 30.167 31.508 -1.341 19654 13491 1 18 . 1 1 121 121 LEU N N 121 120.974 120.974 120.261 0.713 19654 13492 1 18 . 1 1 121 121 LEU HA H 121 3.990 3.990 4.004 -0.014 19654 13493 1 18 . 1 1 121 121 LEU CA C 121 58.436 58.436 57.741 0.695 19654 13494 1 18 . 1 1 121 121 LEU CB C 121 40.988 40.988 41.671 -0.683 19654 13495 1 18 . 1 1 121 121 LEU H H 121 7.587 7.587 7.832 -0.245 19654 13496 1 18 . 1 1 122 122 ALA N N 122 121.982 121.982 120.910 1.072 19654 13497 1 18 . 1 1 122 122 ALA HA H 122 3.743 3.743 3.863 -0.120 19654 13498 1 18 . 1 1 122 122 ALA CA C 122 55.233 55.233 55.216 0.017 19654 13499 1 18 . 1 1 122 122 ALA CB C 122 17.687 17.687 17.957 -0.270 19654 13500 1 18 . 1 1 122 122 ALA H H 122 8.593 8.593 8.327 0.266 19654 13501 1 18 . 1 1 123 123 GLU N N 123 120.516 120.516 118.458 2.058 19654 13502 1 18 . 1 1 123 123 GLU HA H 123 3.862 3.862 3.867 -0.005 19654 13503 1 18 . 1 1 123 123 GLU CA C 123 59.995 59.995 59.455 0.540 19654 13504 1 18 . 1 1 123 123 GLU CB C 123 29.298 29.298 29.602 -0.305 19654 13505 1 18 . 1 1 123 123 GLU H H 123 8.568 8.568 8.371 0.197 19654 13506 1 18 . 1 1 124 124 SER N N 124 116.054 116.054 116.238 -0.184 19654 13507 1 18 . 1 1 124 124 SER HA H 124 4.367 4.367 4.220 0.147 19654 13508 1 18 . 1 1 124 124 SER CA C 124 62.240 62.240 62.464 -0.224 19654 13509 1 18 . 1 1 124 124 SER CB C 124 63.074 63.074 62.827 0.247 19654 13510 1 18 . 1 1 124 124 SER H H 124 8.282 8.282 8.169 0.113 19654 13511 1 18 . 1 1 125 125 ILE N N 125 120.575 120.575 121.652 -1.077 19654 13512 1 18 . 1 1 125 125 ILE HA H 125 3.627 3.627 3.816 -0.189 19654 13513 1 18 . 1 1 125 125 ILE CA C 125 64.655 64.655 64.661 -0.006 19654 13514 1 18 . 1 1 125 125 ILE CB C 125 37.413 37.413 36.782 0.631 19654 13515 1 18 . 1 1 125 125 ILE H H 125 8.343 8.343 8.000 0.343 19654 13516 1 18 . 1 1 126 126 THR N N 126 116.459 116.459 115.926 0.533 19654 13517 1 18 . 1 1 126 126 THR HA H 126 3.482 3.482 4.102 -0.620 19654 13518 1 18 . 1 1 126 126 THR CA C 126 68.679 68.679 67.009 1.670 19654 13519 1 18 . 1 1 126 126 THR CB C 126 67.075 67.075 68.207 -1.132 19654 13520 1 18 . 1 1 126 126 THR H H 126 8.056 8.056 7.579 0.477 19654 13521 1 18 . 1 1 127 127 ASP N N 127 120.236 120.236 122.572 -2.336 19654 13522 1 18 . 1 1 127 127 ASP HA H 127 4.481 4.481 4.612 -0.131 19654 13523 1 18 . 1 1 127 127 ASP CA C 127 58.322 58.322 57.693 0.629 19654 13524 1 18 . 1 1 127 127 ASP CB C 127 41.822 41.822 40.935 0.887 19654 13525 1 18 . 1 1 127 127 ASP H H 127 8.813 8.813 8.556 0.257 19654 13526 1 18 . 1 1 128 128 VAL N N 128 116.904 116.904 119.542 -2.638 19654 13527 1 18 . 1 1 128 128 VAL HA H 128 3.677 3.677 3.764 -0.087 19654 13528 1 18 . 1 1 128 128 VAL CA C 128 66.346 66.346 66.496 -0.150 19654 13529 1 18 . 1 1 128 128 VAL CB C 128 31.351 31.351 31.489 -0.139 19654 13530 1 18 . 1 1 128 128 VAL H H 128 7.949 7.949 8.168 -0.219 19654 13531 1 18 . 1 1 129 129 LEU N N 129 121.043 121.043 121.406 -0.363 19654 13532 1 18 . 1 1 129 129 LEU HA H 129 3.819 3.819 3.916 -0.097 19654 13533 1 18 . 1 1 129 129 LEU CA C 129 58.742 58.742 58.362 0.380 19654 13534 1 18 . 1 1 129 129 LEU CB C 129 42.370 42.370 41.758 0.612 19654 13535 1 18 . 1 1 129 129 LEU H H 129 8.198 8.198 7.864 0.334 19654 13536 1 18 . 1 1 130 130 VAL N N 130 114.370 114.370 118.190 -3.820 19654 13537 1 18 . 1 1 130 130 VAL HA H 130 3.525 3.525 3.640 -0.115 19654 13538 1 18 . 1 1 130 130 VAL CA C 130 66.004 66.004 66.372 -0.368 19654 13539 1 18 . 1 1 130 130 VAL CB C 130 31.320 31.320 31.152 0.168 19654 13540 1 18 . 1 1 130 130 VAL H H 130 8.858 8.858 8.438 0.420 19654 13541 1 18 . 1 1 131 131 ARG N N 131 115.890 115.890 119.669 -3.779 19654 13542 1 18 . 1 1 131 131 ARG HA H 131 4.284 4.284 4.009 0.275 19654 13543 1 18 . 1 1 131 131 ARG CA C 131 59.255 59.255 59.450 -0.195 19654 13544 1 18 . 1 1 131 131 ARG CB C 131 30.009 30.009 30.226 -0.217 19654 13545 1 18 . 1 1 131 131 ARG H H 131 8.619 8.619 8.183 0.436 19654 13546 1 18 . 1 1 132 132 THR N N 132 106.654 106.654 109.842 -3.188 19654 13547 1 18 . 1 1 132 132 THR HA H 132 4.464 4.464 4.308 0.156 19654 13548 1 18 . 1 1 132 132 THR CA C 132 64.081 64.081 63.415 0.666 19654 13549 1 18 . 1 1 132 132 THR CB C 132 69.870 69.870 69.668 0.202 19654 13550 1 18 . 1 1 132 132 THR H H 132 7.530 7.530 7.919 -0.389 19654 13551 1 18 . 1 1 133 133 LYS N N 133 117.426 117.426 119.093 -1.667 19654 13552 1 18 . 1 1 133 133 LYS HA H 133 5.029 5.029 4.826 0.203 19654 13553 1 18 . 1 1 133 133 LYS CA C 133 53.009 53.009 54.864 -1.855 19654 13554 1 18 . 1 1 133 133 LYS CB C 133 31.044 31.044 32.536 -1.492 19654 13555 1 18 . 1 1 133 133 LYS H H 133 7.691 7.691 7.783 -0.092 19654 13556 1 18 . 1 1 134 134 ARG N N 134 120.904 120.904 121.834 -0.930 19654 13557 1 18 . 1 1 134 134 ARG HA H 134 3.679 3.679 3.936 -0.257 19654 13558 1 18 . 1 1 134 134 ARG CA C 134 61.456 61.456 59.417 2.039 19654 13559 1 18 . 1 1 134 134 ARG CB C 134 30.261 30.261 29.741 0.520 19654 13560 1 18 . 1 1 134 134 ARG H H 134 7.341 7.341 8.005 -0.664 19654 13561 1 18 . 1 1 135 135 ASP N N 135 114.262 114.262 118.171 -3.909 19654 13562 1 18 . 1 1 135 135 ASP HA H 135 4.238 4.238 4.339 -0.101 19654 13563 1 18 . 1 1 135 135 ASP CA C 135 57.595 57.595 57.803 -0.208 19654 13564 1 18 . 1 1 135 135 ASP CB C 135 39.961 39.961 39.916 0.045 19654 13565 1 18 . 1 1 135 135 ASP H H 135 8.386 8.386 8.894 -0.508 19654 13566 1 18 . 1 1 136 136 TRP N N 136 121.564 121.564 119.353 2.211 19654 13567 1 18 . 1 1 136 136 TRP HA H 136 3.858 3.858 4.311 -0.453 19654 13568 1 18 . 1 1 136 136 TRP CA C 136 62.373 62.373 59.895 2.478 19654 13569 1 18 . 1 1 136 136 TRP CB C 136 28.807 28.807 29.357 -0.550 19654 13570 1 18 . 1 1 136 136 TRP H H 136 7.844 7.844 7.826 0.018 19654 13571 1 18 . 1 1 137 137 LEU N N 137 117.395 117.395 119.276 -1.881 19654 13572 1 18 . 1 1 137 137 LEU HA H 137 3.461 3.461 3.876 -0.415 19654 13573 1 18 . 1 1 137 137 LEU CA C 137 58.325 58.325 58.192 0.133 19654 13574 1 18 . 1 1 137 137 LEU CB C 137 42.979 42.979 41.495 1.484 19654 13575 1 18 . 1 1 137 137 LEU H H 137 8.623 8.623 8.167 0.456 19654 13576 1 18 . 1 1 138 138 VAL N N 138 118.341 118.341 118.620 -0.279 19654 13577 1 18 . 1 1 138 138 VAL HA H 138 3.586 3.586 3.795 -0.209 19654 13578 1 18 . 1 1 138 138 VAL CA C 138 66.501 66.501 65.637 0.864 19654 13579 1 18 . 1 1 138 138 VAL CB C 138 31.588 31.588 31.808 -0.220 19654 13580 1 18 . 1 1 138 138 VAL H H 138 8.631 8.631 7.507 1.124 19654 13581 1 18 . 1 1 139 139 LYS N N 139 122.096 122.096 120.201 1.895 19654 13582 1 18 . 1 1 139 139 LYS HA H 139 3.941 3.941 4.038 -0.097 19654 13583 1 18 . 1 1 139 139 LYS CA C 139 58.925 58.925 58.832 0.093 19654 13584 1 18 . 1 1 139 139 LYS CB C 139 31.752 31.752 32.143 -0.391 19654 13585 1 18 . 1 1 139 139 LYS H H 139 7.695 7.695 8.319 -0.624 19654 13586 1 18 . 1 1 140 140 GLN N N 140 115.416 115.416 115.547 -0.131 19654 13587 1 18 . 1 1 140 140 GLN HA H 140 3.970 3.970 4.592 -0.622 19654 13588 1 18 . 1 1 140 140 GLN CA C 140 54.309 54.309 54.218 0.091 19654 13589 1 18 . 1 1 140 140 GLN CB C 140 27.174 27.174 29.576 -2.402 19654 13590 1 18 . 1 1 140 140 GLN H H 140 7.344 7.344 7.980 -0.636 19654 13591 1 18 . 1 1 141 141 ARG N N 141 110.160 110.160 116.680 -6.520 19654 13592 1 18 . 1 1 141 141 ARG HA H 141 3.899 3.899 3.918 -0.019 19654 13593 1 18 . 1 1 141 141 ARG CA C 141 57.400 57.400 56.507 0.893 19654 13594 1 18 . 1 1 141 141 ARG CB C 141 25.640 25.640 27.497 -1.857 19654 13595 1 18 . 1 1 141 141 ARG H H 141 7.677 7.677 7.231 0.446 19654 13596 1 18 . 1 1 142 142 GLY N N 142 107.741 107.741 107.702 0.039 19654 13597 1 18 . 1 1 142 142 GLY CA C 142 45.633 45.633 47.130 -1.497 19654 13598 1 18 . 1 1 142 142 GLY H H 142 8.931 8.931 8.688 0.243 19654 13599 1 18 . 1 1 143 143 TRP N N 143 123.871 123.871 121.480 2.391 19654 13600 1 18 . 1 1 143 143 TRP HA H 143 4.273 4.273 4.281 -0.008 19654 13601 1 18 . 1 1 143 143 TRP CA C 143 59.317 59.317 58.872 0.445 19654 13602 1 18 . 1 1 143 143 TRP CB C 143 28.435 28.435 29.346 -0.911 19654 13603 1 18 . 1 1 143 143 TRP H H 143 9.004 9.004 7.646 1.358 19654 13604 1 18 . 1 1 144 144 ASP N N 144 119.481 119.481 120.528 -1.047 19654 13605 1 18 . 1 1 144 144 ASP HA H 144 4.553 4.553 4.370 0.183 19654 13606 1 18 . 1 1 144 144 ASP CA C 144 57.825 57.825 58.679 -0.854 19654 13607 1 18 . 1 1 144 144 ASP CB C 144 40.435 40.435 40.208 0.227 19654 13608 1 18 . 1 1 144 144 ASP H H 144 8.071 8.071 7.980 0.091 19654 13609 1 18 . 1 1 145 145 GLY N N 145 109.653 109.653 107.815 1.838 19654 13610 1 18 . 1 1 145 145 GLY CA C 145 46.856 46.856 47.011 -0.156 19654 13611 1 18 . 1 1 145 145 GLY H H 145 7.493 7.493 8.395 -0.902 19654 13612 1 18 . 1 1 146 146 PHE N N 146 124.053 124.053 122.764 1.289 19654 13613 1 18 . 1 1 146 146 PHE HA H 146 2.455 2.455 3.775 -1.320 19654 13614 1 18 . 1 1 146 146 PHE CA C 146 60.349 60.349 60.358 -0.010 19654 13615 1 18 . 1 1 146 146 PHE CB C 146 38.607 38.607 39.052 -0.445 19654 13616 1 18 . 1 1 146 146 PHE H H 146 7.257 7.257 7.900 -0.643 19654 13617 1 18 . 1 1 147 147 VAL N N 147 116.525 116.525 118.095 -1.570 19654 13618 1 18 . 1 1 147 147 VAL HA H 147 3.298 3.298 3.322 -0.024 19654 13619 1 18 . 1 1 147 147 VAL CA C 147 66.080 66.080 66.000 0.080 19654 13620 1 18 . 1 1 147 147 VAL CB C 147 31.904 31.904 31.032 0.872 19654 13621 1 18 . 1 1 147 147 VAL H H 147 7.700 7.700 7.669 0.031 19654 13622 1 18 . 1 1 148 148 GLU N N 148 118.404 118.404 119.097 -0.693 19654 13623 1 18 . 1 1 148 148 GLU HA H 148 3.985 3.985 3.981 0.004 19654 13624 1 18 . 1 1 148 148 GLU CA C 148 58.933 58.933 59.025 -0.092 19654 13625 1 18 . 1 1 148 148 GLU CB C 148 29.535 29.535 29.332 0.203 19654 13626 1 18 . 1 1 148 148 GLU H H 148 7.801 7.801 8.129 -0.328 19654 13627 1 18 . 1 1 149 149 PHE N N 149 120.305 120.305 120.558 -0.253 19654 13628 1 18 . 1 1 149 149 PHE HA H 149 3.970 3.970 4.224 -0.254 19654 13629 1 18 . 1 1 149 149 PHE CA C 149 61.341 61.341 61.184 0.157 19654 13630 1 18 . 1 1 149 149 PHE CB C 149 39.011 39.011 39.563 -0.552 19654 13631 1 18 . 1 1 149 149 PHE H H 149 8.358 8.358 8.158 0.200 19654 13632 1 18 . 1 1 150 150 PHE N N 150 112.582 112.582 114.810 -2.228 19654 13633 1 18 . 1 1 150 150 PHE HA H 150 4.255 4.255 4.057 0.198 19654 13634 1 18 . 1 1 150 150 PHE CA C 150 59.075 59.075 59.025 0.050 19654 13635 1 18 . 1 1 150 150 PHE CB C 150 39.487 39.487 38.348 1.139 19654 13636 1 18 . 1 1 150 150 PHE H H 150 6.927 6.927 7.933 -1.006 19654 13637 1 18 . 1 1 151 151 HIS N N 151 118.966 118.966 112.322 6.644 19654 13638 1 18 . 1 1 151 151 HIS HA H 151 4.370 4.370 4.277 0.093 19654 13639 1 18 . 1 1 151 151 HIS CA C 151 56.788 56.788 56.230 0.557 19654 13640 1 18 . 1 1 151 151 HIS CB C 151 28.827 28.827 26.459 2.368 19654 13641 1 18 . 1 1 151 151 HIS H H 151 7.483 7.483 7.474 0.009 19654 13642 1 18 . 1 1 152 152 VAL N N 152 120.499 120.499 117.083 3.416 19654 13643 1 18 . 1 1 152 152 VAL HA H 152 3.950 3.950 3.689 0.261 19654 13644 1 18 . 1 1 152 152 VAL CA C 152 62.110 62.110 65.340 -3.230 19654 13645 1 18 . 1 1 152 152 VAL CB C 152 32.593 32.593 31.722 0.871 19654 13646 1 18 . 1 1 152 152 VAL H H 152 8.103 8.103 7.575 0.528 19654 13647 1 18 . 1 1 153 153 GLU N N 153 123.580 123.580 117.345 6.235 19654 13648 1 18 . 1 1 153 153 GLU HA H 153 4.162 4.162 4.405 -0.243 19654 13649 1 18 . 1 1 153 153 GLU CA C 153 56.433 56.433 56.249 0.184 19654 13650 1 18 . 1 1 153 153 GLU CB C 153 30.101 30.101 29.776 0.325 19654 13651 1 18 . 1 1 153 153 GLU H H 153 8.446 8.446 8.688 -0.242 19654 13652 1 18 . 1 1 154 154 ASP N N 154 120.964 120.964 117.938 3.026 19654 13653 1 18 . 1 1 154 154 ASP HA H 154 4.565 4.565 4.820 -0.255 19654 13654 1 18 . 1 1 154 154 ASP CA C 154 54.106 54.106 53.201 0.905 19654 13655 1 18 . 1 1 154 154 ASP CB C 154 40.836 40.836 44.093 -3.257 19654 13656 1 18 . 1 1 154 154 ASP H H 154 8.325 8.325 7.651 0.674 19654 13657 1 18 . 1 1 155 155 LEU N N 155 122.311 122.311 115.002 7.309 19654 13658 1 18 . 1 1 155 155 LEU HA H 155 4.230 4.230 4.652 -0.422 19654 13659 1 18 . 1 1 155 155 LEU CA C 155 55.340 55.340 54.996 0.344 19654 13660 1 18 . 1 1 155 155 LEU CB C 155 42.094 42.094 42.847 -0.753 19654 13661 1 18 . 1 1 155 155 LEU H H 155 8.210 8.210 8.114 0.096 19654 13662 1 18 . 1 1 156 156 GLU N N 156 120.023 120.023 120.018 0.005 19654 13663 1 18 . 1 1 156 156 GLU HA H 156 4.218 4.218 4.436 -0.218 19654 13664 1 18 . 1 1 156 156 GLU CA C 156 56.831 56.831 56.543 0.288 19654 13665 1 18 . 1 1 156 156 GLU CB C 156 29.930 29.930 29.533 0.397 19654 13666 1 18 . 1 1 156 156 GLU H H 156 8.396 8.396 8.587 -0.191 19654 13667 1 18 . 1 1 157 157 GLY N N 157 109.371 109.371 106.007 3.364 19654 13668 1 18 . 1 1 157 157 GLY CA C 157 45.327 45.327 44.321 1.006 19654 13669 1 18 . 1 1 157 157 GLY H H 157 8.323 8.323 7.481 0.842 19654 13670 1 18 . 1 1 158 158 GLY N N 158 108.074 108.074 109.460 -1.386 19654 13671 1 18 . 1 1 158 158 GLY CA C 158 45.061 45.061 45.972 -0.911 19654 13672 1 18 . 1 1 158 158 GLY H H 158 8.226 8.226 8.581 -0.355 19654 13673 1 18 . 1 1 159 159 HIS N N 159 117.875 117.875 124.231 -6.356 19654 13674 1 18 . 1 1 159 159 HIS HA H 159 4.551 4.551 4.651 -0.100 19654 13675 1 18 . 1 1 159 159 HIS CA C 159 55.600 55.600 55.837 -0.238 19654 13676 1 18 . 1 1 159 159 HIS CB C 159 29.800 29.800 28.567 1.232 19654 13677 1 18 . 1 1 159 159 HIS H H 159 8.210 8.210 8.053 0.157 19654 13678 1 18 . 1 1 161 161 HIS N N 161 125.094 125.094 123.795 1.299 19654 13679 1 18 . 1 1 161 161 HIS HA H 161 4.585 4.585 4.460 0.125 19654 13680 1 18 . 1 1 161 161 HIS H H 161 8.162 8.162 8.473 -0.311 19654 13681 1 19 . 1 1 2 2 GLU HA H 2 4.333 4.333 4.094 0.239 19654 13682 1 19 . 1 1 2 2 GLU CA C 2 56.183 56.183 55.894 0.289 19654 13683 1 19 . 1 1 2 2 GLU CB C 2 30.150 30.150 29.796 0.354 19654 13684 1 19 . 1 1 3 3 ASP N N 3 122.553 122.553 118.734 3.819 19654 13685 1 19 . 1 1 3 3 ASP HA H 3 4.729 4.729 4.665 0.064 19654 13686 1 19 . 1 1 3 3 ASP CA C 3 53.659 53.659 52.912 0.747 19654 13687 1 19 . 1 1 3 3 ASP CB C 3 41.319 41.319 42.740 -1.421 19654 13688 1 19 . 1 1 3 3 ASP H H 3 8.437 8.437 7.744 0.693 19654 13689 1 19 . 1 1 4 4 GLU N N 4 125.121 125.121 123.143 1.978 19654 13690 1 19 . 1 1 4 4 GLU HA H 4 4.235 4.235 4.066 0.169 19654 13691 1 19 . 1 1 4 4 GLU CA C 4 58.915 58.915 59.662 -0.747 19654 13692 1 19 . 1 1 4 4 GLU CB C 4 29.274 29.274 29.701 -0.427 19654 13693 1 19 . 1 1 4 4 GLU H H 4 8.726 8.726 8.748 -0.022 19654 13694 1 19 . 1 1 5 5 LEU N N 5 120.976 120.976 119.797 1.179 19654 13695 1 19 . 1 1 5 5 LEU HA H 5 4.517 4.517 4.158 0.359 19654 13696 1 19 . 1 1 5 5 LEU CA C 5 57.939 57.939 57.898 0.041 19654 13697 1 19 . 1 1 5 5 LEU CB C 5 40.917 40.917 41.797 -0.880 19654 13698 1 19 . 1 1 5 5 LEU H H 5 8.381 8.381 8.400 -0.019 19654 13699 1 19 . 1 1 6 6 TYR N N 6 123.977 123.977 118.966 5.011 19654 13700 1 19 . 1 1 6 6 TYR HA H 6 3.865 3.865 4.362 -0.497 19654 13701 1 19 . 1 1 6 6 TYR CA C 6 62.721 62.721 61.287 1.434 19654 13702 1 19 . 1 1 6 6 TYR CB C 6 38.475 38.475 38.314 0.161 19654 13703 1 19 . 1 1 6 6 TYR H H 6 8.342 8.342 7.836 0.506 19654 13704 1 19 . 1 1 7 7 ARG N N 7 118.301 118.301 118.461 -0.160 19654 13705 1 19 . 1 1 7 7 ARG HA H 7 3.828 3.828 4.085 -0.257 19654 13706 1 19 . 1 1 7 7 ARG CA C 7 59.619 59.619 58.577 1.042 19654 13707 1 19 . 1 1 7 7 ARG CB C 7 29.720 29.720 29.376 0.344 19654 13708 1 19 . 1 1 7 7 ARG H H 7 8.452 8.452 8.308 0.144 19654 13709 1 19 . 1 1 8 8 GLN N N 8 119.421 119.421 119.652 -0.231 19654 13710 1 19 . 1 1 8 8 GLN HA H 8 3.944 3.944 4.019 -0.075 19654 13711 1 19 . 1 1 8 8 GLN CA C 8 58.827 58.827 59.572 -0.745 19654 13712 1 19 . 1 1 8 8 GLN CB C 8 28.918 28.918 28.848 0.070 19654 13713 1 19 . 1 1 8 8 GLN H H 8 8.894 8.894 8.651 0.243 19654 13714 1 19 . 1 1 9 9 SER N N 9 113.384 113.384 116.119 -2.735 19654 13715 1 19 . 1 1 9 9 SER HA H 9 4.007 4.007 4.152 -0.145 19654 13716 1 19 . 1 1 9 9 SER CA C 9 62.117 62.117 61.701 0.416 19654 13717 1 19 . 1 1 9 9 SER CB C 9 63.544 63.544 63.404 0.140 19654 13718 1 19 . 1 1 9 9 SER H H 9 8.018 8.018 8.054 -0.036 19654 13719 1 19 . 1 1 10 10 LEU N N 10 121.112 121.112 124.432 -3.320 19654 13720 1 19 . 1 1 10 10 LEU HA H 10 4.130 4.130 4.097 0.033 19654 13721 1 19 . 1 1 10 10 LEU CA C 10 57.022 57.022 57.784 -0.762 19654 13722 1 19 . 1 1 10 10 LEU CB C 10 41.146 41.146 41.573 -0.427 19654 13723 1 19 . 1 1 10 10 LEU H H 10 8.599 8.599 8.481 0.118 19654 13724 1 19 . 1 1 11 11 GLU N N 11 120.653 120.653 119.664 0.989 19654 13725 1 19 . 1 1 11 11 GLU HA H 11 3.914 3.914 4.026 -0.112 19654 13726 1 19 . 1 1 11 11 GLU CA C 11 59.627 59.627 59.161 0.466 19654 13727 1 19 . 1 1 11 11 GLU CB C 11 29.298 29.298 29.298 0.000 19654 13728 1 19 . 1 1 11 11 GLU H H 11 7.806 7.806 8.225 -0.419 19654 13729 1 19 . 1 1 12 12 ILE N N 12 117.297 117.297 119.508 -2.211 19654 13730 1 19 . 1 1 12 12 ILE HA H 12 3.121 3.121 3.588 -0.467 19654 13731 1 19 . 1 1 12 12 ILE CA C 12 65.774 65.774 65.511 0.263 19654 13732 1 19 . 1 1 12 12 ILE CB C 12 39.143 39.143 37.760 1.383 19654 13733 1 19 . 1 1 12 12 ILE H H 12 7.401 7.401 7.432 -0.031 19654 13734 1 19 . 1 1 13 13 ILE N N 13 117.560 117.560 119.536 -1.976 19654 13735 1 19 . 1 1 13 13 ILE HA H 13 3.302 3.302 3.473 -0.171 19654 13736 1 19 . 1 1 13 13 ILE CA C 13 66.420 66.420 65.790 0.630 19654 13737 1 19 . 1 1 13 13 ILE CB C 13 37.714 37.714 37.565 0.149 19654 13738 1 19 . 1 1 13 13 ILE H H 13 8.378 8.378 8.478 -0.100 19654 13739 1 19 . 1 1 14 14 SER N N 14 113.892 113.892 116.260 -2.368 19654 13740 1 19 . 1 1 14 14 SER HA H 14 3.889 3.889 4.093 -0.204 19654 13741 1 19 . 1 1 14 14 SER CA C 14 62.310 62.310 61.833 0.477 19654 13742 1 19 . 1 1 14 14 SER CB C 14 62.282 62.282 62.832 -0.550 19654 13743 1 19 . 1 1 14 14 SER H H 14 9.048 9.048 8.327 0.721 19654 13744 1 19 . 1 1 15 15 ARG N N 15 118.890 118.890 122.224 -3.334 19654 13745 1 19 . 1 1 15 15 ARG HA H 15 4.033 4.033 3.952 0.081 19654 13746 1 19 . 1 1 15 15 ARG CA C 15 59.496 59.496 59.409 0.087 19654 13747 1 19 . 1 1 15 15 ARG CB C 15 29.727 29.727 29.884 -0.158 19654 13748 1 19 . 1 1 15 15 ARG H H 15 7.655 7.655 7.596 0.059 19654 13749 1 19 . 1 1 16 16 TYR N N 16 119.757 119.757 121.201 -1.444 19654 13750 1 19 . 1 1 16 16 TYR HA H 16 4.146 4.146 4.126 0.020 19654 13751 1 19 . 1 1 16 16 TYR CA C 16 61.265 61.265 61.522 -0.257 19654 13752 1 19 . 1 1 16 16 TYR CB C 16 38.495 38.495 38.158 0.337 19654 13753 1 19 . 1 1 16 16 TYR H H 16 8.351 8.351 7.870 0.481 19654 13754 1 19 . 1 1 17 17 LEU N N 17 118.494 118.494 119.698 -1.204 19654 13755 1 19 . 1 1 17 17 LEU HA H 17 3.375 3.375 3.793 -0.418 19654 13756 1 19 . 1 1 17 17 LEU CA C 17 59.627 59.627 58.470 1.157 19654 13757 1 19 . 1 1 17 17 LEU CB C 17 39.949 39.949 41.283 -1.334 19654 13758 1 19 . 1 1 17 17 LEU H H 17 8.578 8.578 8.344 0.234 19654 13759 1 19 . 1 1 18 18 ARG N N 18 115.962 115.962 118.762 -2.800 19654 13760 1 19 . 1 1 18 18 ARG HA H 18 3.858 3.858 3.940 -0.082 19654 13761 1 19 . 1 1 18 18 ARG CA C 18 60.233 60.233 59.198 1.035 19654 13762 1 19 . 1 1 18 18 ARG CB C 18 29.993 29.993 29.519 0.474 19654 13763 1 19 . 1 1 18 18 ARG H H 18 8.044 8.044 7.782 0.262 19654 13764 1 19 . 1 1 19 19 GLU N N 19 120.998 120.998 120.087 0.911 19654 13765 1 19 . 1 1 19 19 GLU HA H 19 4.153 4.153 3.986 0.167 19654 13766 1 19 . 1 1 19 19 GLU CA C 19 58.857 58.857 59.294 -0.437 19654 13767 1 19 . 1 1 19 19 GLU CB C 19 29.661 29.661 28.992 0.669 19654 13768 1 19 . 1 1 19 19 GLU H H 19 8.268 8.268 8.406 -0.138 19654 13769 1 19 . 1 1 20 20 GLN N N 20 119.903 119.903 116.333 3.570 19654 13770 1 19 . 1 1 20 20 GLN HA H 20 3.715 3.715 4.027 -0.312 19654 13771 1 19 . 1 1 20 20 GLN CA C 20 58.008 58.008 56.672 1.336 19654 13772 1 19 . 1 1 20 20 GLN CB C 20 28.666 28.666 28.205 0.461 19654 13773 1 19 . 1 1 20 20 GLN H H 20 8.193 8.193 7.714 0.479 19654 13774 1 19 . 1 1 21 21 ALA N N 21 117.771 117.771 120.560 -2.789 19654 13775 1 19 . 1 1 21 21 ALA HA H 21 3.985 3.985 4.097 -0.112 19654 13776 1 19 . 1 1 21 21 ALA CA C 21 54.397 54.397 54.381 0.016 19654 13777 1 19 . 1 1 21 21 ALA CB C 21 20.022 20.022 19.101 0.921 19654 13778 1 19 . 1 1 21 21 ALA H H 21 7.883 7.883 7.707 0.176 19654 13779 1 19 . 1 1 22 22 THR N N 22 103.721 103.721 110.133 -6.412 19654 13780 1 19 . 1 1 22 22 THR HA H 22 4.279 4.279 4.233 0.046 19654 13781 1 19 . 1 1 22 22 THR CA C 22 62.357 62.357 62.995 -0.638 19654 13782 1 19 . 1 1 22 22 THR CB C 22 71.071 71.071 70.805 0.266 19654 13783 1 19 . 1 1 22 22 THR H H 22 8.024 8.024 8.105 -0.081 19654 13784 1 19 . 1 1 23 23 GLY N N 23 111.610 111.610 111.384 0.226 19654 13785 1 19 . 1 1 23 23 GLY CA C 23 45.574 45.574 45.330 0.244 19654 13786 1 19 . 1 1 23 23 GLY H H 23 8.155 8.155 8.022 0.133 19654 13787 1 19 . 1 1 24 24 ALA N N 24 123.004 123.004 123.085 -0.081 19654 13788 1 19 . 1 1 24 24 ALA HA H 24 4.526 4.526 4.617 -0.091 19654 13789 1 19 . 1 1 24 24 ALA CA C 24 50.763 50.763 51.293 -0.530 19654 13790 1 19 . 1 1 24 24 ALA CB C 24 20.186 20.186 20.556 -0.370 19654 13791 1 19 . 1 1 24 24 ALA H H 24 7.763 7.763 7.652 0.111 19654 13792 1 19 . 1 1 25 25 LYS N N 25 121.392 121.392 124.386 -2.994 19654 13793 1 19 . 1 1 25 25 LYS HA H 25 4.181 4.181 4.680 -0.499 19654 13794 1 19 . 1 1 25 25 LYS CA C 25 55.729 55.729 55.336 0.394 19654 13795 1 19 . 1 1 25 25 LYS CB C 25 33.175 33.175 32.904 0.271 19654 13796 1 19 . 1 1 25 25 LYS H H 25 8.349 8.349 8.194 0.155 19654 13797 1 19 . 1 1 26 26 ASP N N 26 124.433 124.433 121.373 3.060 19654 13798 1 19 . 1 1 26 26 ASP HA H 26 4.618 4.618 4.664 -0.046 19654 13799 1 19 . 1 1 26 26 ASP CA C 26 53.735 53.735 53.517 0.218 19654 13800 1 19 . 1 1 26 26 ASP CB C 26 41.402 41.402 41.727 -0.325 19654 13801 1 19 . 1 1 26 26 ASP H H 26 8.803 8.803 8.548 0.255 19654 13802 1 19 . 1 1 27 27 THR N N 27 116.332 116.332 112.086 4.246 19654 13803 1 19 . 1 1 27 27 THR HA H 27 4.249 4.249 4.369 -0.120 19654 13804 1 19 . 1 1 27 27 THR CA C 27 61.268 61.268 61.897 -0.629 19654 13805 1 19 . 1 1 27 27 THR CB C 27 68.993 68.993 69.354 -0.361 19654 13806 1 19 . 1 1 27 27 THR H H 27 8.363 8.363 8.089 0.274 19654 13807 1 19 . 1 1 28 28 LYS N N 28 125.551 125.551 123.672 1.879 19654 13808 1 19 . 1 1 28 28 LYS HA H 28 4.437 4.437 4.624 -0.187 19654 13809 1 19 . 1 1 28 28 LYS CA C 28 55.188 55.188 54.598 0.590 19654 13810 1 19 . 1 1 28 28 LYS CB C 28 31.409 31.409 32.076 -0.667 19654 13811 1 19 . 1 1 28 28 LYS H H 28 8.346 8.346 8.238 0.108 19654 13812 1 19 . 1 1 29 29 PRO HA H 29 4.392 4.392 4.375 0.017 19654 13813 1 19 . 1 1 29 29 PRO CA C 29 63.164 63.164 63.425 -0.260 19654 13814 1 19 . 1 1 29 29 PRO CB C 29 31.904 31.904 31.878 0.026 19654 13815 1 19 . 1 1 30 30 MET N N 30 121.136 121.136 122.285 -1.149 19654 13816 1 19 . 1 1 30 30 MET HA H 30 4.381 4.381 4.551 -0.170 19654 13817 1 19 . 1 1 30 30 MET CA C 30 55.229 55.229 55.427 -0.198 19654 13818 1 19 . 1 1 30 30 MET CB C 30 33.819 33.819 32.980 0.840 19654 13819 1 19 . 1 1 30 30 MET H H 30 8.585 8.585 8.261 0.324 19654 13820 1 19 . 1 1 31 31 GLY N N 31 109.849 109.849 110.164 -0.315 19654 13821 1 19 . 1 1 31 31 GLY CA C 31 44.983 44.983 45.974 -0.990 19654 13822 1 19 . 1 1 31 31 GLY H H 31 8.930 8.930 8.621 0.309 19654 13823 1 19 . 1 1 32 32 ARG N N 32 121.001 121.001 118.895 2.106 19654 13824 1 19 . 1 1 32 32 ARG HA H 32 4.239 4.239 4.587 -0.348 19654 13825 1 19 . 1 1 32 32 ARG CA C 32 56.755 56.755 55.042 1.713 19654 13826 1 19 . 1 1 32 32 ARG CB C 32 30.110 30.110 32.926 -2.816 19654 13827 1 19 . 1 1 32 32 ARG H H 32 8.447 8.447 8.262 0.185 19654 13828 1 19 . 1 1 33 33 SER N N 33 119.991 119.991 115.500 4.491 19654 13829 1 19 . 1 1 33 33 SER HA H 33 4.386 4.386 4.214 0.172 19654 13830 1 19 . 1 1 33 33 SER CA C 33 58.502 58.502 58.462 0.039 19654 13831 1 19 . 1 1 33 33 SER CB C 33 62.609 62.609 63.206 -0.597 19654 13832 1 19 . 1 1 33 33 SER H H 33 8.667 8.667 8.919 -0.252 19654 13833 1 19 . 1 1 34 34 GLY N N 34 108.582 108.582 111.879 -3.297 19654 13834 1 19 . 1 1 34 34 GLY CA C 34 46.637 46.637 46.373 0.264 19654 13835 1 19 . 1 1 34 34 GLY H H 34 8.216 8.216 8.489 -0.273 19654 13836 1 19 . 1 1 35 35 ALA N N 35 123.445 123.445 124.890 -1.445 19654 13837 1 19 . 1 1 35 35 ALA HA H 35 4.193 4.193 3.997 0.196 19654 13838 1 19 . 1 1 35 35 ALA CA C 35 54.770 54.770 55.578 -0.808 19654 13839 1 19 . 1 1 35 35 ALA CB C 35 18.437 18.437 18.069 0.368 19654 13840 1 19 . 1 1 35 35 ALA H H 35 8.506 8.506 8.470 0.036 19654 13841 1 19 . 1 1 36 36 THR N N 36 115.716 115.716 115.597 0.119 19654 13842 1 19 . 1 1 36 36 THR HA H 36 3.919 3.919 3.985 -0.066 19654 13843 1 19 . 1 1 36 36 THR CA C 36 67.249 67.249 66.948 0.301 19654 13844 1 19 . 1 1 36 36 THR CB C 36 68.225 68.225 68.766 -0.541 19654 13845 1 19 . 1 1 36 36 THR H H 36 8.262 8.262 8.148 0.114 19654 13846 1 19 . 1 1 37 37 SER N N 37 117.911 117.911 117.580 0.331 19654 13847 1 19 . 1 1 37 37 SER HA H 37 3.869 3.869 4.044 -0.175 19654 13848 1 19 . 1 1 37 37 SER CA C 37 62.333 62.333 62.134 0.199 19654 13849 1 19 . 1 1 37 37 SER CB C 37 62.333 62.333 62.969 -0.636 19654 13850 1 19 . 1 1 37 37 SER H H 37 8.389 8.389 8.146 0.243 19654 13851 1 19 . 1 1 38 38 ARG N N 38 120.924 120.924 122.080 -1.156 19654 13852 1 19 . 1 1 38 38 ARG HA H 38 3.901 3.901 4.008 -0.107 19654 13853 1 19 . 1 1 38 38 ARG CA C 38 59.923 59.923 59.444 0.479 19654 13854 1 19 . 1 1 38 38 ARG CB C 38 29.759 29.759 30.354 -0.595 19654 13855 1 19 . 1 1 38 38 ARG H H 38 8.278 8.278 8.268 0.010 19654 13856 1 19 . 1 1 39 39 LYS N N 39 119.172 119.172 118.409 0.763 19654 13857 1 19 . 1 1 39 39 LYS HA H 39 4.151 4.151 4.302 -0.151 19654 13858 1 19 . 1 1 39 39 LYS CA C 39 59.086 59.086 58.984 0.102 19654 13859 1 19 . 1 1 39 39 LYS CB C 39 32.807 32.807 32.114 0.693 19654 13860 1 19 . 1 1 39 39 LYS H H 39 7.930 7.930 8.242 -0.312 19654 13861 1 19 . 1 1 40 40 ALA N N 40 125.586 125.586 123.448 2.138 19654 13862 1 19 . 1 1 40 40 ALA HA H 40 4.175 4.175 4.298 -0.123 19654 13863 1 19 . 1 1 40 40 ALA CA C 40 55.633 55.633 55.097 0.536 19654 13864 1 19 . 1 1 40 40 ALA CB C 40 18.675 18.675 18.373 0.302 19654 13865 1 19 . 1 1 40 40 ALA H H 40 9.192 9.192 8.468 0.724 19654 13866 1 19 . 1 1 41 41 LEU N N 41 120.080 120.080 119.822 0.258 19654 13867 1 19 . 1 1 41 41 LEU HA H 41 3.930 3.930 3.951 -0.021 19654 13868 1 19 . 1 1 41 41 LEU CA C 41 58.169 58.169 57.896 0.273 19654 13869 1 19 . 1 1 41 41 LEU CB C 41 41.683 41.683 41.848 -0.165 19654 13870 1 19 . 1 1 41 41 LEU H H 41 8.209 8.209 7.652 0.557 19654 13871 1 19 . 1 1 42 42 GLU N N 42 117.875 117.875 117.862 0.013 19654 13872 1 19 . 1 1 42 42 GLU HA H 42 3.977 3.977 4.062 -0.085 19654 13873 1 19 . 1 1 42 42 GLU CA C 42 59.335 59.335 59.348 -0.013 19654 13874 1 19 . 1 1 42 42 GLU CB C 42 29.176 29.176 29.080 0.096 19654 13875 1 19 . 1 1 42 42 GLU H H 42 8.197 8.197 8.370 -0.173 19654 13876 1 19 . 1 1 43 43 THR N N 43 116.912 116.912 118.461 -1.549 19654 13877 1 19 . 1 1 43 43 THR HA H 43 3.793 3.793 3.992 -0.199 19654 13878 1 19 . 1 1 43 43 THR CA C 43 67.517 67.517 66.985 0.532 19654 13879 1 19 . 1 1 43 43 THR CB C 43 68.089 68.089 68.341 -0.252 19654 13880 1 19 . 1 1 43 43 THR H H 43 8.183 8.183 8.164 0.019 19654 13881 1 19 . 1 1 44 44 LEU N N 44 123.099 123.099 121.142 1.957 19654 13882 1 19 . 1 1 44 44 LEU HA H 44 3.699 3.699 3.836 -0.137 19654 13883 1 19 . 1 1 44 44 LEU CA C 44 58.261 58.261 58.122 0.139 19654 13884 1 19 . 1 1 44 44 LEU CB C 44 40.988 40.988 41.239 -0.251 19654 13885 1 19 . 1 1 44 44 LEU H H 44 8.509 8.509 8.473 0.036 19654 13886 1 19 . 1 1 45 45 ARG N N 45 116.885 116.885 116.246 0.639 19654 13887 1 19 . 1 1 45 45 ARG HA H 45 4.125 4.125 4.430 -0.305 19654 13888 1 19 . 1 1 45 45 ARG CA C 45 59.617 59.617 58.432 1.185 19654 13889 1 19 . 1 1 45 45 ARG CB C 45 30.423 30.423 29.752 0.672 19654 13890 1 19 . 1 1 45 45 ARG H H 45 8.398 8.398 7.545 0.853 19654 13891 1 19 . 1 1 46 46 ARG N N 46 117.297 117.297 121.333 -4.036 19654 13892 1 19 . 1 1 46 46 ARG HA H 46 4.229 4.229 4.094 0.135 19654 13893 1 19 . 1 1 46 46 ARG CA C 46 58.427 58.427 59.160 -0.733 19654 13894 1 19 . 1 1 46 46 ARG CB C 46 30.408 30.408 30.343 0.065 19654 13895 1 19 . 1 1 46 46 ARG H H 46 7.421 7.421 8.228 -0.807 19654 13896 1 19 . 1 1 47 47 VAL N N 47 114.304 114.304 111.827 2.477 19654 13897 1 19 . 1 1 47 47 VAL HA H 47 4.094 4.094 4.375 -0.281 19654 13898 1 19 . 1 1 47 47 VAL CA C 47 63.242 63.242 63.864 -0.621 19654 13899 1 19 . 1 1 47 47 VAL CB C 47 32.378 32.378 32.264 0.113 19654 13900 1 19 . 1 1 47 47 VAL H H 47 8.515 8.515 8.177 0.338 19654 13901 1 19 . 1 1 48 48 GLY N N 48 110.132 110.132 109.429 0.703 19654 13902 1 19 . 1 1 48 48 GLY CA C 48 46.588 46.588 47.582 -0.994 19654 13903 1 19 . 1 1 48 48 GLY H H 48 8.890 8.890 8.323 0.567 19654 13904 1 19 . 1 1 49 49 ASP N N 49 121.292 121.292 122.056 -0.764 19654 13905 1 19 . 1 1 49 49 ASP HA H 49 4.456 4.456 4.432 0.024 19654 13906 1 19 . 1 1 49 49 ASP CA C 49 57.787 57.787 58.166 -0.379 19654 13907 1 19 . 1 1 49 49 ASP CB C 49 40.912 40.912 40.701 0.211 19654 13908 1 19 . 1 1 49 49 ASP H H 49 7.392 7.392 7.992 -0.600 19654 13909 1 19 . 1 1 50 50 GLY N N 50 106.682 106.682 107.411 -0.729 19654 13910 1 19 . 1 1 50 50 GLY CA C 50 46.932 46.932 47.148 -0.216 19654 13911 1 19 . 1 1 50 50 GLY H H 50 8.132 8.132 8.352 -0.220 19654 13912 1 19 . 1 1 51 51 VAL N N 51 121.747 121.747 123.208 -1.461 19654 13913 1 19 . 1 1 51 51 VAL HA H 51 3.944 3.944 3.675 0.269 19654 13914 1 19 . 1 1 51 51 VAL CA C 51 66.355 66.355 66.706 -0.351 19654 13915 1 19 . 1 1 51 51 VAL CB C 51 31.594 31.594 31.525 0.069 19654 13916 1 19 . 1 1 51 51 VAL H H 51 7.476 7.476 8.030 -0.554 19654 13917 1 19 . 1 1 52 52 GLN N N 52 118.494 118.494 118.667 -0.173 19654 13918 1 19 . 1 1 52 52 GLN HA H 52 3.913 3.913 3.995 -0.082 19654 13919 1 19 . 1 1 52 52 GLN CA C 52 60.391 60.391 59.599 0.792 19654 13920 1 19 . 1 1 52 52 GLN CB C 52 29.682 29.682 28.623 1.058 19654 13921 1 19 . 1 1 52 52 GLN H H 52 8.439 8.439 8.552 -0.113 19654 13922 1 19 . 1 1 53 53 ARG N N 53 116.807 116.807 118.912 -2.105 19654 13923 1 19 . 1 1 53 53 ARG HA H 53 4.163 4.163 4.074 0.089 19654 13924 1 19 . 1 1 53 53 ARG CA C 53 59.086 59.086 59.354 -0.268 19654 13925 1 19 . 1 1 53 53 ARG CB C 53 30.009 30.009 29.955 0.054 19654 13926 1 19 . 1 1 53 53 ARG H H 53 7.873 7.873 7.793 0.080 19654 13927 1 19 . 1 1 54 54 ASN N N 54 116.356 116.356 116.778 -0.422 19654 13928 1 19 . 1 1 54 54 ASN HA H 54 4.448 4.448 4.556 -0.108 19654 13929 1 19 . 1 1 54 54 ASN CA C 54 54.694 54.694 55.790 -1.096 19654 13930 1 19 . 1 1 54 54 ASN CB C 54 38.302 38.302 38.720 -0.418 19654 13931 1 19 . 1 1 54 54 ASN H H 54 8.123 8.123 8.047 0.076 19654 13932 1 19 . 1 1 55 55 HIS N N 55 114.809 114.809 118.003 -3.194 19654 13933 1 19 . 1 1 55 55 HIS HA H 55 4.504 4.504 4.256 0.248 19654 13934 1 19 . 1 1 55 55 HIS CA C 55 55.949 55.949 57.627 -1.678 19654 13935 1 19 . 1 1 55 55 HIS CB C 55 28.341 28.341 30.210 -1.869 19654 13936 1 19 . 1 1 55 55 HIS H H 55 7.558 7.558 8.274 -0.716 19654 13937 1 19 . 1 1 56 56 GLU N N 56 121.943 121.943 120.770 1.173 19654 13938 1 19 . 1 1 56 56 GLU HA H 56 3.640 3.640 3.578 0.062 19654 13939 1 19 . 1 1 56 56 GLU CA C 56 61.360 61.360 59.961 1.399 19654 13940 1 19 . 1 1 56 56 GLU CB C 56 30.006 30.006 29.267 0.739 19654 13941 1 19 . 1 1 56 56 GLU H H 56 7.071 7.071 8.386 -1.315 19654 13942 1 19 . 1 1 57 57 THR N N 57 112.827 112.827 113.604 -0.777 19654 13943 1 19 . 1 1 57 57 THR HA H 57 3.984 3.984 4.027 -0.043 19654 13944 1 19 . 1 1 57 57 THR CA C 57 66.247 66.247 65.424 0.824 19654 13945 1 19 . 1 1 57 57 THR CB C 57 68.002 68.002 68.600 -0.598 19654 13946 1 19 . 1 1 57 57 THR H H 57 8.324 8.324 8.333 -0.009 19654 13947 1 19 . 1 1 58 58 ALA N N 58 126.520 126.520 123.515 3.005 19654 13948 1 19 . 1 1 58 58 ALA HA H 58 4.147 4.147 4.082 0.065 19654 13949 1 19 . 1 1 58 58 ALA CA C 58 54.707 54.707 54.468 0.239 19654 13950 1 19 . 1 1 58 58 ALA CB C 58 17.734 17.734 18.068 -0.334 19654 13951 1 19 . 1 1 58 58 ALA H H 58 7.910 7.910 7.281 0.629 19654 13952 1 19 . 1 1 59 59 PHE N N 59 119.326 119.326 117.528 1.798 19654 13953 1 19 . 1 1 59 59 PHE HA H 59 4.518 4.518 4.257 0.261 19654 13954 1 19 . 1 1 59 59 PHE CA C 59 56.946 56.946 58.747 -1.801 19654 13955 1 19 . 1 1 59 59 PHE CB C 59 34.583 34.583 37.910 -3.327 19654 13956 1 19 . 1 1 59 59 PHE H H 59 9.017 9.017 7.747 1.270 19654 13957 1 19 . 1 1 60 60 GLN N N 60 119.670 119.670 118.378 1.292 19654 13958 1 19 . 1 1 60 60 GLN HA H 60 4.232 4.232 4.137 0.095 19654 13959 1 19 . 1 1 60 60 GLN CA C 60 59.359 59.359 59.392 -0.033 19654 13960 1 19 . 1 1 60 60 GLN CB C 60 28.009 28.009 27.778 0.231 19654 13961 1 19 . 1 1 60 60 GLN H H 60 8.678 8.678 8.691 -0.013 19654 13962 1 19 . 1 1 61 61 GLY N N 61 106.140 106.140 106.357 -0.217 19654 13963 1 19 . 1 1 61 61 GLY CA C 61 47.085 47.085 46.719 0.366 19654 13964 1 19 . 1 1 61 61 GLY H H 61 7.975 7.975 7.925 0.050 19654 13965 1 19 . 1 1 62 62 MET N N 62 120.973 120.973 119.763 1.210 19654 13966 1 19 . 1 1 62 62 MET HA H 62 4.080 4.080 4.488 -0.408 19654 13967 1 19 . 1 1 62 62 MET CA C 62 58.752 58.752 57.995 0.757 19654 13968 1 19 . 1 1 62 62 MET CB C 62 33.824 33.824 33.446 0.378 19654 13969 1 19 . 1 1 62 62 MET H H 62 8.007 8.007 7.616 0.391 19654 13970 1 19 . 1 1 63 63 LEU N N 63 119.043 119.043 120.531 -1.488 19654 13971 1 19 . 1 1 63 63 LEU HA H 63 4.139 4.139 4.026 0.113 19654 13972 1 19 . 1 1 63 63 LEU CA C 63 57.645 57.645 58.202 -0.557 19654 13973 1 19 . 1 1 63 63 LEU CB C 63 42.173 42.173 41.096 1.077 19654 13974 1 19 . 1 1 63 63 LEU H H 63 8.394 8.394 8.579 -0.185 19654 13975 1 19 . 1 1 64 64 ARG N N 64 117.294 117.294 117.292 0.002 19654 13976 1 19 . 1 1 64 64 ARG HA H 64 4.090 4.090 4.116 -0.026 19654 13977 1 19 . 1 1 64 64 ARG CA C 64 58.551 58.551 58.490 0.061 19654 13978 1 19 . 1 1 64 64 ARG CB C 64 29.772 29.772 30.266 -0.494 19654 13979 1 19 . 1 1 64 64 ARG H H 64 7.912 7.912 7.895 0.017 19654 13980 1 19 . 1 1 65 65 LYS N N 65 116.840 116.840 115.591 1.249 19654 13981 1 19 . 1 1 65 65 LYS HA H 65 4.165 4.165 4.510 -0.345 19654 13982 1 19 . 1 1 65 65 LYS CA C 65 57.175 57.175 56.285 0.890 19654 13983 1 19 . 1 1 65 65 LYS CB C 65 32.299 32.299 33.151 -0.852 19654 13984 1 19 . 1 1 65 65 LYS H H 65 7.506 7.506 7.985 -0.479 19654 13985 1 19 . 1 1 66 66 LEU N N 66 119.257 119.257 121.624 -2.367 19654 13986 1 19 . 1 1 66 66 LEU HA H 66 4.232 4.232 4.347 -0.115 19654 13987 1 19 . 1 1 66 66 LEU CA C 66 55.442 55.442 56.185 -0.743 19654 13988 1 19 . 1 1 66 66 LEU CB C 66 43.042 43.042 42.450 0.592 19654 13989 1 19 . 1 1 66 66 LEU H H 66 7.736 7.736 7.534 0.202 19654 13990 1 19 . 1 1 67 67 ASP N N 67 119.743 119.743 117.638 2.105 19654 13991 1 19 . 1 1 67 67 ASP HA H 67 4.457 4.457 4.462 -0.005 19654 13992 1 19 . 1 1 67 67 ASP CA C 67 53.850 53.850 54.956 -1.106 19654 13993 1 19 . 1 1 67 67 ASP CB C 67 40.195 40.195 40.269 -0.074 19654 13994 1 19 . 1 1 67 67 ASP H H 67 8.068 8.068 8.243 -0.175 19654 13995 1 19 . 1 1 68 68 ILE N N 68 120.055 120.055 121.881 -1.826 19654 13996 1 19 . 1 1 68 68 ILE HA H 68 3.870 3.870 4.084 -0.214 19654 13997 1 19 . 1 1 68 68 ILE CA C 68 61.524 61.524 61.150 0.374 19654 13998 1 19 . 1 1 68 68 ILE CB C 68 37.986 37.986 36.274 1.712 19654 13999 1 19 . 1 1 68 68 ILE H H 68 8.275 8.275 8.653 -0.378 19654 14000 1 19 . 1 1 69 69 LYS N N 69 126.186 126.186 126.041 0.145 19654 14001 1 19 . 1 1 69 69 LYS HA H 69 4.481 4.481 4.430 0.051 19654 14002 1 19 . 1 1 69 69 LYS CA C 69 56.304 56.304 55.799 0.505 19654 14003 1 19 . 1 1 69 69 LYS CB C 69 34.136 34.136 33.550 0.586 19654 14004 1 19 . 1 1 69 69 LYS H H 69 9.722 9.722 8.926 0.796 19654 14005 1 19 . 1 1 70 70 ASN N N 70 115.056 115.056 116.223 -1.167 19654 14006 1 19 . 1 1 70 70 ASN HA H 70 4.700 4.700 4.830 -0.130 19654 14007 1 19 . 1 1 70 70 ASN CA C 70 51.977 51.977 52.148 -0.171 19654 14008 1 19 . 1 1 70 70 ASN CB C 70 39.474 39.474 39.898 -0.424 19654 14009 1 19 . 1 1 70 70 ASN H H 70 7.959 7.959 8.283 -0.324 19654 14010 1 19 . 1 1 71 71 GLU N N 71 118.214 118.214 120.033 -1.819 19654 14011 1 19 . 1 1 71 71 GLU HA H 71 3.967 3.967 3.951 0.016 19654 14012 1 19 . 1 1 71 71 GLU CA C 71 59.354 59.354 59.740 -0.386 19654 14013 1 19 . 1 1 71 71 GLU CB C 71 29.520 29.520 29.529 -0.009 19654 14014 1 19 . 1 1 71 71 GLU H H 71 8.831 8.831 8.900 -0.069 19654 14015 1 19 . 1 1 72 72 ASP N N 72 120.319 120.319 117.822 2.497 19654 14016 1 19 . 1 1 72 72 ASP HA H 72 4.422 4.422 4.377 0.045 19654 14017 1 19 . 1 1 72 72 ASP CA C 72 57.036 57.036 57.278 -0.242 19654 14018 1 19 . 1 1 72 72 ASP CB C 72 39.945 39.945 40.408 -0.463 19654 14019 1 19 . 1 1 72 72 ASP H H 72 8.167 8.167 8.642 -0.475 19654 14020 1 19 . 1 1 73 73 ASP N N 73 119.793 119.793 120.166 -0.373 19654 14021 1 19 . 1 1 73 73 ASP HA H 73 4.521 4.521 4.432 0.089 19654 14022 1 19 . 1 1 73 73 ASP CA C 73 56.337 56.337 57.605 -1.268 19654 14023 1 19 . 1 1 73 73 ASP CB C 73 41.927 41.927 40.243 1.684 19654 14024 1 19 . 1 1 73 73 ASP H H 73 8.153 8.153 7.886 0.267 19654 14025 1 19 . 1 1 74 74 VAL N N 74 117.572 117.572 120.834 -3.262 19654 14026 1 19 . 1 1 74 74 VAL HA H 74 3.714 3.714 3.651 0.063 19654 14027 1 19 . 1 1 74 74 VAL CA C 74 65.498 65.498 66.302 -0.804 19654 14028 1 19 . 1 1 74 74 VAL CB C 74 31.077 31.077 31.629 -0.552 19654 14029 1 19 . 1 1 74 74 VAL H H 74 7.629 7.629 7.340 0.289 19654 14030 1 19 . 1 1 75 75 LYS N N 75 119.403 119.403 118.993 0.410 19654 14031 1 19 . 1 1 75 75 LYS HA H 75 4.154 4.154 4.032 0.122 19654 14032 1 19 . 1 1 75 75 LYS CA C 75 59.034 59.034 59.561 -0.527 19654 14033 1 19 . 1 1 75 75 LYS CB C 75 31.909 31.909 32.097 -0.188 19654 14034 1 19 . 1 1 75 75 LYS H H 75 7.961 7.961 8.279 -0.318 19654 14035 1 19 . 1 1 76 76 SER N N 76 114.355 114.355 116.632 -2.277 19654 14036 1 19 . 1 1 76 76 SER HA H 76 4.453 4.453 4.283 0.170 19654 14037 1 19 . 1 1 76 76 SER CA C 76 60.061 60.061 61.820 -1.759 19654 14038 1 19 . 1 1 76 76 SER CB C 76 63.023 63.023 63.142 -0.119 19654 14039 1 19 . 1 1 76 76 SER H H 76 7.919 7.919 7.983 -0.064 19654 14040 1 19 . 1 1 77 77 LEU N N 77 121.954 121.954 122.700 -0.746 19654 14041 1 19 . 1 1 77 77 LEU HA H 77 4.230 4.230 3.966 0.264 19654 14042 1 19 . 1 1 77 77 LEU CA C 77 56.764 56.764 57.992 -1.228 19654 14043 1 19 . 1 1 77 77 LEU CB C 77 41.695 41.695 41.482 0.213 19654 14044 1 19 . 1 1 77 77 LEU H H 77 7.883 7.883 8.389 -0.506 19654 14045 1 19 . 1 1 78 78 SER N N 78 115.268 115.268 114.071 1.197 19654 14046 1 19 . 1 1 78 78 SER HA H 78 3.962 3.962 3.997 -0.035 19654 14047 1 19 . 1 1 78 78 SER CA C 78 62.337 62.337 62.131 0.206 19654 14048 1 19 . 1 1 78 78 SER CB C 78 62.218 62.218 63.033 -0.815 19654 14049 1 19 . 1 1 78 78 SER H H 78 8.185 8.185 8.244 -0.059 19654 14050 1 19 . 1 1 79 79 ARG N N 79 119.021 119.021 119.528 -0.507 19654 14051 1 19 . 1 1 79 79 ARG HA H 79 4.090 4.090 3.982 0.108 19654 14052 1 19 . 1 1 79 79 ARG CA C 79 58.849 58.849 58.647 0.202 19654 14053 1 19 . 1 1 79 79 ARG CB C 79 29.930 29.930 29.541 0.389 19654 14054 1 19 . 1 1 79 79 ARG H H 79 7.684 7.684 7.592 0.092 19654 14055 1 19 . 1 1 80 80 VAL N N 80 116.979 116.979 120.490 -3.511 19654 14056 1 19 . 1 1 80 80 VAL HA H 80 3.953 3.953 3.790 0.163 19654 14057 1 19 . 1 1 80 80 VAL CA C 80 64.228 64.228 66.220 -1.992 19654 14058 1 19 . 1 1 80 80 VAL CB C 80 32.210 32.210 31.711 0.499 19654 14059 1 19 . 1 1 80 80 VAL H H 80 7.479 7.479 7.227 0.252 19654 14060 1 19 . 1 1 81 81 MET N N 81 117.822 117.822 118.385 -0.563 19654 14061 1 19 . 1 1 81 81 MET HA H 81 4.053 4.053 4.091 -0.038 19654 14062 1 19 . 1 1 81 81 MET CA C 81 58.322 58.322 57.604 0.718 19654 14063 1 19 . 1 1 81 81 MET CB C 81 32.555 32.555 31.351 1.204 19654 14064 1 19 . 1 1 81 81 MET H H 81 8.104 8.104 8.133 -0.029 19654 14065 1 19 . 1 1 82 82 ILE N N 82 116.348 116.348 118.509 -2.161 19654 14066 1 19 . 1 1 82 82 ILE HA H 82 3.815 3.815 3.697 0.118 19654 14067 1 19 . 1 1 82 82 ILE CA C 82 63.653 63.653 64.920 -1.267 19654 14068 1 19 . 1 1 82 82 ILE CB C 82 37.879 37.879 37.544 0.335 19654 14069 1 19 . 1 1 82 82 ILE H H 82 7.789 7.789 7.911 -0.122 19654 14070 1 19 . 1 1 83 83 HIS N N 83 118.994 118.994 118.447 0.547 19654 14071 1 19 . 1 1 83 83 HIS HA H 83 4.409 4.409 4.376 0.033 19654 14072 1 19 . 1 1 83 83 HIS CA C 83 58.245 58.245 57.972 0.273 19654 14073 1 19 . 1 1 83 83 HIS CB C 83 29.735 29.735 28.948 0.787 19654 14074 1 19 . 1 1 83 83 HIS H H 83 7.543 7.543 7.299 0.244 19654 14075 1 19 . 1 1 84 84 VAL N N 84 117.112 117.112 118.489 -1.377 19654 14076 1 19 . 1 1 84 84 VAL HA H 84 3.631 3.631 3.657 -0.026 19654 14077 1 19 . 1 1 84 84 VAL CA C 84 64.628 64.628 65.952 -1.324 19654 14078 1 19 . 1 1 84 84 VAL CB C 84 31.904 31.904 30.533 1.371 19654 14079 1 19 . 1 1 84 84 VAL H H 84 7.713 7.713 7.933 -0.220 19654 14080 1 19 . 1 1 85 85 PHE N N 85 115.531 115.531 115.381 0.150 19654 14081 1 19 . 1 1 85 85 PHE HA H 85 4.733 4.733 4.652 0.081 19654 14082 1 19 . 1 1 85 85 PHE CA C 85 57.326 57.326 57.379 -0.053 19654 14083 1 19 . 1 1 85 85 PHE CB C 85 39.507 39.507 37.248 2.259 19654 14084 1 19 . 1 1 85 85 PHE H H 85 7.743 7.743 7.604 0.139 19654 14085 1 19 . 1 1 86 86 SER N N 86 114.812 114.812 117.064 -2.252 19654 14086 1 19 . 1 1 86 86 SER HA H 86 4.275 4.275 4.379 -0.104 19654 14087 1 19 . 1 1 86 86 SER CA C 86 59.832 59.832 60.339 -0.507 19654 14088 1 19 . 1 1 86 86 SER CB C 86 63.482 63.482 63.666 -0.184 19654 14089 1 19 . 1 1 86 86 SER H H 86 7.634 7.634 7.831 -0.197 19654 14090 1 19 . 1 1 87 87 ASP N N 87 120.986 120.986 122.042 -1.056 19654 14091 1 19 . 1 1 87 87 ASP HA H 87 4.491 4.491 4.629 -0.138 19654 14092 1 19 . 1 1 87 87 ASP CA C 87 54.032 54.032 54.006 0.026 19654 14093 1 19 . 1 1 87 87 ASP CB C 87 40.411 40.411 41.871 -1.460 19654 14094 1 19 . 1 1 87 87 ASP H H 87 8.043 8.043 8.108 -0.065 19654 14095 1 19 . 1 1 88 88 GLY N N 88 108.171 108.171 107.708 0.463 19654 14096 1 19 . 1 1 88 88 GLY CA C 88 44.981 44.981 44.572 0.409 19654 14097 1 19 . 1 1 88 88 GLY H H 88 8.163 8.163 8.637 -0.474 19654 14098 1 19 . 1 1 89 89 VAL N N 89 121.716 121.716 120.999 0.717 19654 14099 1 19 . 1 1 89 89 VAL HA H 89 3.879 3.879 4.362 -0.483 19654 14100 1 19 . 1 1 89 89 VAL CA C 89 62.471 62.471 59.889 2.582 19654 14101 1 19 . 1 1 89 89 VAL CB C 89 32.418 32.418 35.075 -2.657 19654 14102 1 19 . 1 1 89 89 VAL H H 89 7.886 7.886 7.337 0.549 19654 14103 1 19 . 1 1 90 90 THR N N 90 121.669 121.669 119.181 2.488 19654 14104 1 19 . 1 1 90 90 THR HA H 90 3.657 3.657 4.035 -0.378 19654 14105 1 19 . 1 1 90 90 THR CA C 90 62.473 62.473 60.958 1.515 19654 14106 1 19 . 1 1 90 90 THR CB C 90 68.528 68.528 68.171 0.356 19654 14107 1 19 . 1 1 90 90 THR H H 90 8.201 8.201 8.224 -0.023 19654 14108 1 19 . 1 1 91 91 ASN HA H 91 4.162 4.162 4.183 -0.020 19654 14109 1 19 . 1 1 91 91 ASN CA C 91 51.748 51.748 52.781 -1.033 19654 14110 1 19 . 1 1 91 91 ASN CB C 91 39.645 39.645 37.834 1.811 19654 14111 1 19 . 1 1 91 91 ASN H H 91 8.826 8.826 7.706 1.120 19654 14112 1 19 . 1 1 92 92 TRP N N 92 118.437 118.437 126.281 -7.844 19654 14113 1 19 . 1 1 92 92 TRP HA H 92 4.739 4.739 4.396 0.343 19654 14114 1 19 . 1 1 92 92 TRP CA C 92 60.233 60.233 59.622 0.611 19654 14115 1 19 . 1 1 92 92 TRP CB C 92 30.167 30.167 29.140 1.027 19654 14116 1 19 . 1 1 92 92 TRP H H 92 8.942 8.942 8.087 0.855 19654 14117 1 19 . 1 1 93 93 GLY N N 93 108.154 108.154 108.181 -0.027 19654 14118 1 19 . 1 1 93 93 GLY CA C 93 47.544 47.544 47.002 0.542 19654 14119 1 19 . 1 1 93 93 GLY H H 93 8.697 8.697 8.550 0.147 19654 14120 1 19 . 1 1 94 94 ARG N N 94 122.547 122.547 121.317 1.230 19654 14121 1 19 . 1 1 94 94 ARG HA H 94 4.072 4.072 4.128 -0.056 19654 14122 1 19 . 1 1 94 94 ARG CA C 94 58.556 58.556 59.517 -0.961 19654 14123 1 19 . 1 1 94 94 ARG CB C 94 30.201 30.201 30.087 0.114 19654 14124 1 19 . 1 1 94 94 ARG H H 94 8.353 8.353 7.817 0.536 19654 14125 1 19 . 1 1 95 95 ILE N N 95 120.130 120.130 120.024 0.106 19654 14126 1 19 . 1 1 95 95 ILE HA H 95 3.708 3.708 4.100 -0.392 19654 14127 1 19 . 1 1 95 95 ILE CA C 95 65.511 65.511 63.907 1.603 19654 14128 1 19 . 1 1 95 95 ILE CB C 95 37.486 37.486 36.905 0.581 19654 14129 1 19 . 1 1 95 95 ILE H H 95 7.545 7.545 7.584 -0.039 19654 14130 1 19 . 1 1 96 96 VAL N N 96 119.403 119.403 120.383 -0.980 19654 14131 1 19 . 1 1 96 96 VAL HA H 96 3.723 3.723 3.612 0.111 19654 14132 1 19 . 1 1 96 96 VAL CA C 96 67.249 67.249 67.440 -0.191 19654 14133 1 19 . 1 1 96 96 VAL CB C 96 31.001 31.001 31.179 -0.178 19654 14134 1 19 . 1 1 96 96 VAL H H 96 8.990 8.990 8.199 0.791 19654 14135 1 19 . 1 1 97 97 THR N N 97 122.016 122.016 117.722 4.294 19654 14136 1 19 . 1 1 97 97 THR HA H 97 3.784 3.784 4.010 -0.226 19654 14137 1 19 . 1 1 97 97 THR CA C 97 68.159 68.159 66.572 1.587 19654 14138 1 19 . 1 1 97 97 THR CB C 97 67.212 67.212 68.755 -1.543 19654 14139 1 19 . 1 1 97 97 THR H H 97 8.605 8.605 8.040 0.565 19654 14140 1 19 . 1 1 98 98 LEU N N 98 122.476 122.476 123.939 -1.463 19654 14141 1 19 . 1 1 98 98 LEU HA H 98 3.805 3.805 4.094 -0.289 19654 14142 1 19 . 1 1 98 98 LEU CA C 98 58.818 58.818 58.317 0.501 19654 14143 1 19 . 1 1 98 98 LEU CB C 98 41.158 41.158 41.927 -0.769 19654 14144 1 19 . 1 1 98 98 LEU H H 98 7.769 7.769 8.145 -0.376 19654 14145 1 19 . 1 1 99 99 ILE N N 99 117.997 117.997 117.792 0.205 19654 14146 1 19 . 1 1 99 99 ILE HA H 99 3.509 3.509 3.676 -0.167 19654 14147 1 19 . 1 1 99 99 ILE CA C 99 66.261 66.261 65.675 0.586 19654 14148 1 19 . 1 1 99 99 ILE CB C 99 38.350 38.350 37.489 0.861 19654 14149 1 19 . 1 1 99 99 ILE H H 99 8.175 8.175 8.396 -0.221 19654 14150 1 19 . 1 1 100 100 SER N N 100 116.934 116.934 117.353 -0.419 19654 14151 1 19 . 1 1 100 100 SER HA H 100 4.447 4.447 4.419 0.028 19654 14152 1 19 . 1 1 100 100 SER CA C 100 63.290 63.290 62.183 1.107 19654 14153 1 19 . 1 1 100 100 SER CB C 100 62.867 62.867 63.155 -0.288 19654 14154 1 19 . 1 1 100 100 SER H H 100 8.989 8.989 8.592 0.397 19654 14155 1 19 . 1 1 101 101 PHE N N 101 124.640 124.640 124.053 0.587 19654 14156 1 19 . 1 1 101 101 PHE HA H 101 3.420 3.420 3.852 -0.432 19654 14157 1 19 . 1 1 101 101 PHE CA C 101 60.499 60.499 59.850 0.649 19654 14158 1 19 . 1 1 101 101 PHE CB C 101 37.333 37.333 38.394 -1.061 19654 14159 1 19 . 1 1 101 101 PHE H H 101 8.513 8.513 8.468 0.045 19654 14160 1 19 . 1 1 102 102 GLY N N 102 106.116 106.116 107.062 -0.946 19654 14161 1 19 . 1 1 102 102 GLY CA C 102 48.166 48.166 47.043 1.123 19654 14162 1 19 . 1 1 102 102 GLY H H 102 8.111 8.111 8.160 -0.049 19654 14163 1 19 . 1 1 103 103 ALA N N 103 124.560 124.560 124.393 0.167 19654 14164 1 19 . 1 1 103 103 ALA HA H 103 3.780 3.780 3.944 -0.164 19654 14165 1 19 . 1 1 103 103 ALA CA C 103 55.646 55.646 54.585 1.061 19654 14166 1 19 . 1 1 103 103 ALA CB C 103 18.476 18.476 18.550 -0.075 19654 14167 1 19 . 1 1 103 103 ALA H H 103 8.437 8.437 8.225 0.212 19654 14168 1 19 . 1 1 104 104 PHE N N 104 120.981 120.981 120.037 0.944 19654 14169 1 19 . 1 1 104 104 PHE HA H 104 3.989 3.989 4.167 -0.178 19654 14170 1 19 . 1 1 104 104 PHE CA C 104 62.258 62.258 61.671 0.587 19654 14171 1 19 . 1 1 104 104 PHE CB C 104 39.949 39.949 39.476 0.473 19654 14172 1 19 . 1 1 104 104 PHE H H 104 8.213 8.213 8.166 0.047 19654 14173 1 19 . 1 1 105 105 VAL N N 105 120.473 120.473 119.110 1.363 19654 14174 1 19 . 1 1 105 105 VAL HA H 105 3.236 3.236 3.461 -0.225 19654 14175 1 19 . 1 1 105 105 VAL CA C 105 66.348 66.348 66.499 -0.150 19654 14176 1 19 . 1 1 105 105 VAL CB C 105 30.720 30.720 31.016 -0.296 19654 14177 1 19 . 1 1 105 105 VAL H H 105 8.513 8.513 8.233 0.280 19654 14178 1 19 . 1 1 106 106 ALA N N 106 123.948 123.948 122.982 0.966 19654 14179 1 19 . 1 1 106 106 ALA HA H 106 3.660 3.660 3.792 -0.132 19654 14180 1 19 . 1 1 106 106 ALA CA C 106 55.607 55.607 55.495 0.112 19654 14181 1 19 . 1 1 106 106 ALA CB C 106 18.003 18.003 18.024 -0.021 19654 14182 1 19 . 1 1 106 106 ALA H H 106 8.807 8.807 8.152 0.655 19654 14183 1 19 . 1 1 107 107 LYS N N 107 115.836 115.836 118.297 -2.461 19654 14184 1 19 . 1 1 107 107 LYS HA H 107 3.733 3.733 3.810 -0.077 19654 14185 1 19 . 1 1 107 107 LYS CA C 107 60.462 60.462 59.755 0.707 19654 14186 1 19 . 1 1 107 107 LYS CB C 107 31.907 31.907 32.063 -0.156 19654 14187 1 19 . 1 1 107 107 LYS H H 107 7.934 7.934 7.665 0.269 19654 14188 1 19 . 1 1 108 108 HIS N N 108 120.459 120.459 119.043 1.416 19654 14189 1 19 . 1 1 108 108 HIS HA H 108 4.212 4.212 4.274 -0.062 19654 14190 1 19 . 1 1 108 108 HIS CA C 108 59.623 59.623 58.958 0.665 19654 14191 1 19 . 1 1 108 108 HIS CB C 108 29.838 29.838 29.522 0.316 19654 14192 1 19 . 1 1 108 108 HIS H H 108 7.254 7.254 7.398 -0.144 19654 14193 1 19 . 1 1 109 109 LEU N N 109 118.336 118.336 120.621 -2.285 19654 14194 1 19 . 1 1 109 109 LEU HA H 109 3.640 3.640 3.773 -0.133 19654 14195 1 19 . 1 1 109 109 LEU CA C 109 56.945 56.945 57.951 -1.006 19654 14196 1 19 . 1 1 109 109 LEU CB C 109 39.709 39.709 41.704 -1.995 19654 14197 1 19 . 1 1 109 109 LEU H H 109 8.709 8.709 8.484 0.225 19654 14198 1 19 . 1 1 110 110 LYS N N 110 118.036 118.036 118.547 -0.511 19654 14199 1 19 . 1 1 110 110 LYS HA H 110 3.944 3.944 3.950 -0.006 19654 14200 1 19 . 1 1 110 110 LYS CA C 110 58.967 58.967 59.399 -0.432 19654 14201 1 19 . 1 1 110 110 LYS CB C 110 32.220 32.220 32.255 -0.035 19654 14202 1 19 . 1 1 110 110 LYS H H 110 7.752 7.752 8.210 -0.458 19654 14203 1 19 . 1 1 111 111 THR N N 111 115.985 115.985 115.302 0.683 19654 14204 1 19 . 1 1 111 111 THR HA H 111 3.990 3.990 4.049 -0.059 19654 14205 1 19 . 1 1 111 111 THR CA C 111 65.921 65.921 65.769 0.152 19654 14206 1 19 . 1 1 111 111 THR CB C 111 68.611 68.611 68.893 -0.282 19654 14207 1 19 . 1 1 111 111 THR H H 111 7.832 7.832 7.665 0.167 19654 14208 1 19 . 1 1 112 112 ILE N N 112 112.606 112.606 116.760 -4.154 19654 14209 1 19 . 1 1 112 112 ILE HA H 112 4.454 4.454 4.431 0.023 19654 14210 1 19 . 1 1 112 112 ILE CA C 112 60.922 60.922 60.036 0.886 19654 14211 1 19 . 1 1 112 112 ILE CB C 112 36.813 36.813 37.147 -0.334 19654 14212 1 19 . 1 1 112 112 ILE H H 112 7.262 7.262 7.166 0.096 19654 14213 1 19 . 1 1 113 113 ASN N N 113 116.297 116.297 115.091 1.206 19654 14214 1 19 . 1 1 113 113 ASN HA H 113 4.576 4.576 4.276 0.300 19654 14215 1 19 . 1 1 113 113 ASN CA C 113 54.653 54.653 54.477 0.176 19654 14216 1 19 . 1 1 113 113 ASN CB C 113 36.497 36.497 36.602 -0.105 19654 14217 1 19 . 1 1 113 113 ASN H H 113 7.816 7.816 7.711 0.105 19654 14218 1 19 . 1 1 114 114 GLN N N 114 117.958 117.958 116.943 1.015 19654 14219 1 19 . 1 1 114 114 GLN HA H 114 4.739 4.739 4.291 0.448 19654 14220 1 19 . 1 1 114 114 GLN CA C 114 54.079 54.079 54.919 -0.840 19654 14221 1 19 . 1 1 114 114 GLN CB C 114 28.840 28.840 27.294 1.546 19654 14222 1 19 . 1 1 114 114 GLN H H 114 8.522 8.522 8.374 0.148 19654 14223 1 19 . 1 1 115 115 GLU N N 115 120.597 120.597 121.845 -1.248 19654 14224 1 19 . 1 1 115 115 GLU HA H 115 3.646 3.646 3.939 -0.293 19654 14225 1 19 . 1 1 115 115 GLU CA C 115 59.569 59.569 59.835 -0.266 19654 14226 1 19 . 1 1 115 115 GLU CB C 115 29.061 29.061 29.138 -0.077 19654 14227 1 19 . 1 1 115 115 GLU H H 115 8.881 8.881 8.557 0.324 19654 14228 1 19 . 1 1 116 116 SER N N 116 115.352 115.352 113.031 2.321 19654 14229 1 19 . 1 1 116 116 SER HA H 116 4.250 4.250 4.263 -0.013 19654 14230 1 19 . 1 1 116 116 SER CA C 116 60.593 60.593 60.491 0.102 19654 14231 1 19 . 1 1 116 116 SER CB C 116 62.231 62.231 62.926 -0.695 19654 14232 1 19 . 1 1 116 116 SER H H 116 8.702 8.702 8.569 0.133 19654 14233 1 19 . 1 1 117 117 SER N N 117 116.944 116.944 118.626 -1.682 19654 14234 1 19 . 1 1 117 117 SER HA H 117 4.461 4.461 4.276 0.185 19654 14235 1 19 . 1 1 117 117 SER CA C 117 60.219 60.219 60.701 -0.482 19654 14236 1 19 . 1 1 117 117 SER CB C 117 64.116 64.116 62.728 1.387 19654 14237 1 19 . 1 1 117 117 SER H H 117 7.963 7.963 7.775 0.188 19654 14238 1 19 . 1 1 118 118 ILE N N 118 122.505 122.505 121.414 1.091 19654 14239 1 19 . 1 1 118 118 ILE HA H 118 3.419 3.419 3.570 -0.151 19654 14240 1 19 . 1 1 118 118 ILE CA C 118 66.227 66.227 65.345 0.882 19654 14241 1 19 . 1 1 118 118 ILE CB C 118 36.723 36.723 37.565 -0.842 19654 14242 1 19 . 1 1 118 118 ILE H H 118 7.945 7.945 7.396 0.549 19654 14243 1 19 . 1 1 119 119 GLU N N 119 119.604 119.604 119.273 0.331 19654 14244 1 19 . 1 1 119 119 GLU HA H 119 4.244 4.244 4.076 0.168 19654 14245 1 19 . 1 1 119 119 GLU CA C 119 61.540 61.540 61.310 0.230 19654 14246 1 19 . 1 1 119 119 GLU CB C 119 26.092 26.092 27.713 -1.621 19654 14247 1 19 . 1 1 119 119 GLU H H 119 8.244 8.244 7.827 0.417 19654 14248 1 19 . 1 1 120 120 PRO HA H 120 4.446 4.446 4.491 -0.045 19654 14249 1 19 . 1 1 120 120 PRO CA C 120 65.583 65.583 65.340 0.243 19654 14250 1 19 . 1 1 120 120 PRO CB C 120 30.167 30.167 31.445 -1.278 19654 14251 1 19 . 1 1 121 121 LEU N N 121 120.974 120.974 120.252 0.722 19654 14252 1 19 . 1 1 121 121 LEU HA H 121 3.990 3.990 4.067 -0.077 19654 14253 1 19 . 1 1 121 121 LEU CA C 121 58.436 58.436 57.640 0.796 19654 14254 1 19 . 1 1 121 121 LEU CB C 121 40.988 40.988 41.727 -0.739 19654 14255 1 19 . 1 1 121 121 LEU H H 121 7.587 7.587 7.931 -0.344 19654 14256 1 19 . 1 1 122 122 ALA N N 122 121.982 121.982 121.211 0.771 19654 14257 1 19 . 1 1 122 122 ALA HA H 122 3.743 3.743 3.885 -0.142 19654 14258 1 19 . 1 1 122 122 ALA CA C 122 55.233 55.233 55.281 -0.048 19654 14259 1 19 . 1 1 122 122 ALA CB C 122 17.687 17.687 17.901 -0.214 19654 14260 1 19 . 1 1 122 122 ALA H H 122 8.593 8.593 8.157 0.436 19654 14261 1 19 . 1 1 123 123 GLU N N 123 120.516 120.516 118.687 1.829 19654 14262 1 19 . 1 1 123 123 GLU HA H 123 3.862 3.862 3.923 -0.061 19654 14263 1 19 . 1 1 123 123 GLU CA C 123 59.995 59.995 59.596 0.399 19654 14264 1 19 . 1 1 123 123 GLU CB C 123 29.298 29.298 29.561 -0.262 19654 14265 1 19 . 1 1 123 123 GLU H H 123 8.568 8.568 8.355 0.213 19654 14266 1 19 . 1 1 124 124 SER N N 124 116.054 116.054 115.974 0.080 19654 14267 1 19 . 1 1 124 124 SER HA H 124 4.367 4.367 4.213 0.154 19654 14268 1 19 . 1 1 124 124 SER CA C 124 62.240 62.240 62.447 -0.207 19654 14269 1 19 . 1 1 124 124 SER CB C 124 63.074 63.074 62.867 0.207 19654 14270 1 19 . 1 1 124 124 SER H H 124 8.282 8.282 8.047 0.235 19654 14271 1 19 . 1 1 125 125 ILE N N 125 120.575 120.575 121.684 -1.109 19654 14272 1 19 . 1 1 125 125 ILE HA H 125 3.627 3.627 3.768 -0.141 19654 14273 1 19 . 1 1 125 125 ILE CA C 125 64.655 64.655 64.439 0.216 19654 14274 1 19 . 1 1 125 125 ILE CB C 125 37.413 37.413 37.009 0.404 19654 14275 1 19 . 1 1 125 125 ILE H H 125 8.343 8.343 8.269 0.074 19654 14276 1 19 . 1 1 126 126 THR N N 126 116.459 116.459 115.869 0.590 19654 14277 1 19 . 1 1 126 126 THR HA H 126 3.482 3.482 3.898 -0.416 19654 14278 1 19 . 1 1 126 126 THR CA C 126 68.679 68.679 67.338 1.341 19654 14279 1 19 . 1 1 126 126 THR CB C 126 67.075 67.075 68.042 -0.967 19654 14280 1 19 . 1 1 126 126 THR H H 126 8.056 8.056 8.064 -0.008 19654 14281 1 19 . 1 1 127 127 ASP N N 127 120.236 120.236 122.076 -1.840 19654 14282 1 19 . 1 1 127 127 ASP HA H 127 4.481 4.481 4.726 -0.245 19654 14283 1 19 . 1 1 127 127 ASP CA C 127 58.322 58.322 57.739 0.583 19654 14284 1 19 . 1 1 127 127 ASP CB C 127 41.822 41.822 41.059 0.762 19654 14285 1 19 . 1 1 127 127 ASP H H 127 8.813 8.813 8.326 0.487 19654 14286 1 19 . 1 1 128 128 VAL N N 128 116.904 116.904 119.282 -2.378 19654 14287 1 19 . 1 1 128 128 VAL HA H 128 3.677 3.677 3.681 -0.004 19654 14288 1 19 . 1 1 128 128 VAL CA C 128 66.346 66.346 66.361 -0.015 19654 14289 1 19 . 1 1 128 128 VAL CB C 128 31.351 31.351 31.840 -0.489 19654 14290 1 19 . 1 1 128 128 VAL H H 128 7.949 7.949 7.973 -0.024 19654 14291 1 19 . 1 1 129 129 LEU N N 129 121.043 121.043 121.937 -0.894 19654 14292 1 19 . 1 1 129 129 LEU HA H 129 3.819 3.819 3.945 -0.126 19654 14293 1 19 . 1 1 129 129 LEU CA C 129 58.742 58.742 58.117 0.625 19654 14294 1 19 . 1 1 129 129 LEU CB C 129 42.370 42.370 42.029 0.341 19654 14295 1 19 . 1 1 129 129 LEU H H 129 8.198 8.198 7.626 0.572 19654 14296 1 19 . 1 1 130 130 VAL N N 130 114.370 114.370 117.544 -3.174 19654 14297 1 19 . 1 1 130 130 VAL HA H 130 3.525 3.525 3.584 -0.059 19654 14298 1 19 . 1 1 130 130 VAL CA C 130 66.004 66.004 65.737 0.267 19654 14299 1 19 . 1 1 130 130 VAL CB C 130 31.320 31.320 31.662 -0.342 19654 14300 1 19 . 1 1 130 130 VAL H H 130 8.858 8.858 8.355 0.503 19654 14301 1 19 . 1 1 131 131 ARG N N 131 115.890 115.890 119.280 -3.390 19654 14302 1 19 . 1 1 131 131 ARG HA H 131 4.284 4.284 4.082 0.202 19654 14303 1 19 . 1 1 131 131 ARG CA C 131 59.255 59.255 58.848 0.407 19654 14304 1 19 . 1 1 131 131 ARG CB C 131 30.009 30.009 30.276 -0.267 19654 14305 1 19 . 1 1 131 131 ARG H H 131 8.619 8.619 8.403 0.216 19654 14306 1 19 . 1 1 132 132 THR N N 132 106.654 106.654 109.136 -2.482 19654 14307 1 19 . 1 1 132 132 THR HA H 132 4.464 4.464 4.437 0.027 19654 14308 1 19 . 1 1 132 132 THR CA C 132 64.081 64.081 63.244 0.837 19654 14309 1 19 . 1 1 132 132 THR CB C 132 69.870 69.870 70.458 -0.588 19654 14310 1 19 . 1 1 132 132 THR H H 132 7.530 7.530 7.597 -0.067 19654 14311 1 19 . 1 1 133 133 LYS N N 133 117.426 117.426 121.710 -4.284 19654 14312 1 19 . 1 1 133 133 LYS HA H 133 5.029 5.029 4.600 0.429 19654 14313 1 19 . 1 1 133 133 LYS CA C 133 53.009 53.009 55.637 -2.628 19654 14314 1 19 . 1 1 133 133 LYS CB C 133 31.044 31.044 31.629 -0.585 19654 14315 1 19 . 1 1 133 133 LYS H H 133 7.691 7.691 7.777 -0.086 19654 14316 1 19 . 1 1 134 134 ARG N N 134 120.904 120.904 120.869 0.035 19654 14317 1 19 . 1 1 134 134 ARG HA H 134 3.679 3.679 3.860 -0.181 19654 14318 1 19 . 1 1 134 134 ARG CA C 134 61.456 61.456 59.496 1.960 19654 14319 1 19 . 1 1 134 134 ARG CB C 134 30.261 30.261 29.540 0.721 19654 14320 1 19 . 1 1 134 134 ARG H H 134 7.341 7.341 7.748 -0.407 19654 14321 1 19 . 1 1 135 135 ASP N N 135 114.262 114.262 118.259 -3.997 19654 14322 1 19 . 1 1 135 135 ASP HA H 135 4.238 4.238 4.261 -0.023 19654 14323 1 19 . 1 1 135 135 ASP CA C 135 57.595 57.595 57.346 0.249 19654 14324 1 19 . 1 1 135 135 ASP CB C 135 39.961 39.961 39.870 0.091 19654 14325 1 19 . 1 1 135 135 ASP H H 135 8.386 8.386 8.484 -0.098 19654 14326 1 19 . 1 1 136 136 TRP N N 136 121.564 121.564 119.457 2.107 19654 14327 1 19 . 1 1 136 136 TRP HA H 136 3.858 3.858 4.299 -0.441 19654 14328 1 19 . 1 1 136 136 TRP CA C 136 62.373 62.373 59.378 2.995 19654 14329 1 19 . 1 1 136 136 TRP CB C 136 28.807 28.807 29.307 -0.500 19654 14330 1 19 . 1 1 136 136 TRP H H 136 7.844 7.844 7.474 0.370 19654 14331 1 19 . 1 1 137 137 LEU N N 137 117.395 117.395 119.707 -2.312 19654 14332 1 19 . 1 1 137 137 LEU HA H 137 3.461 3.461 3.910 -0.449 19654 14333 1 19 . 1 1 137 137 LEU CA C 137 58.325 58.325 58.102 0.223 19654 14334 1 19 . 1 1 137 137 LEU CB C 137 42.979 42.979 41.677 1.302 19654 14335 1 19 . 1 1 137 137 LEU H H 137 8.623 8.623 8.681 -0.058 19654 14336 1 19 . 1 1 138 138 VAL N N 138 118.341 118.341 117.474 0.867 19654 14337 1 19 . 1 1 138 138 VAL HA H 138 3.586 3.586 3.647 -0.061 19654 14338 1 19 . 1 1 138 138 VAL CA C 138 66.501 66.501 65.507 0.994 19654 14339 1 19 . 1 1 138 138 VAL CB C 138 31.588 31.588 31.902 -0.314 19654 14340 1 19 . 1 1 138 138 VAL H H 138 8.631 8.631 7.513 1.118 19654 14341 1 19 . 1 1 139 139 LYS N N 139 122.096 122.096 119.601 2.495 19654 14342 1 19 . 1 1 139 139 LYS HA H 139 3.941 3.941 4.100 -0.159 19654 14343 1 19 . 1 1 139 139 LYS CA C 139 58.925 58.925 58.584 0.341 19654 14344 1 19 . 1 1 139 139 LYS CB C 139 31.752 31.752 32.212 -0.460 19654 14345 1 19 . 1 1 139 139 LYS H H 139 7.695 7.695 8.082 -0.387 19654 14346 1 19 . 1 1 140 140 GLN N N 140 115.416 115.416 116.312 -0.896 19654 14347 1 19 . 1 1 140 140 GLN HA H 140 3.970 3.970 4.586 -0.616 19654 14348 1 19 . 1 1 140 140 GLN CA C 140 54.309 54.309 54.519 -0.210 19654 14349 1 19 . 1 1 140 140 GLN CB C 140 27.174 27.174 29.404 -2.230 19654 14350 1 19 . 1 1 140 140 GLN H H 140 7.344 7.344 8.140 -0.796 19654 14351 1 19 . 1 1 141 141 ARG N N 141 110.160 110.160 115.106 -4.946 19654 14352 1 19 . 1 1 141 141 ARG HA H 141 3.899 3.899 3.861 0.038 19654 14353 1 19 . 1 1 141 141 ARG CA C 141 57.400 57.400 56.796 0.604 19654 14354 1 19 . 1 1 141 141 ARG CB C 141 25.640 25.640 27.883 -2.243 19654 14355 1 19 . 1 1 141 141 ARG H H 141 7.677 7.677 7.621 0.056 19654 14356 1 19 . 1 1 142 142 GLY N N 142 107.741 107.741 106.825 0.916 19654 14357 1 19 . 1 1 142 142 GLY CA C 142 45.633 45.633 46.977 -1.344 19654 14358 1 19 . 1 1 142 142 GLY H H 142 8.931 8.931 8.553 0.378 19654 14359 1 19 . 1 1 143 143 TRP N N 143 123.871 123.871 122.994 0.877 19654 14360 1 19 . 1 1 143 143 TRP HA H 143 4.273 4.273 4.478 -0.205 19654 14361 1 19 . 1 1 143 143 TRP CA C 143 59.317 59.317 58.717 0.600 19654 14362 1 19 . 1 1 143 143 TRP CB C 143 28.435 28.435 29.454 -1.019 19654 14363 1 19 . 1 1 143 143 TRP H H 143 9.004 9.004 7.585 1.419 19654 14364 1 19 . 1 1 144 144 ASP N N 144 119.481 119.481 119.325 0.156 19654 14365 1 19 . 1 1 144 144 ASP HA H 144 4.553 4.553 4.413 0.140 19654 14366 1 19 . 1 1 144 144 ASP CA C 144 57.825 57.825 58.419 -0.594 19654 14367 1 19 . 1 1 144 144 ASP CB C 144 40.435 40.435 40.375 0.060 19654 14368 1 19 . 1 1 144 144 ASP H H 144 8.071 8.071 8.692 -0.621 19654 14369 1 19 . 1 1 145 145 GLY N N 145 109.653 109.653 107.954 1.699 19654 14370 1 19 . 1 1 145 145 GLY CA C 145 46.856 46.856 46.775 0.081 19654 14371 1 19 . 1 1 145 145 GLY H H 145 7.493 7.493 7.609 -0.116 19654 14372 1 19 . 1 1 146 146 PHE N N 146 124.053 124.053 122.542 1.511 19654 14373 1 19 . 1 1 146 146 PHE HA H 146 2.455 2.455 3.627 -1.172 19654 14374 1 19 . 1 1 146 146 PHE CA C 146 60.349 60.349 60.141 0.208 19654 14375 1 19 . 1 1 146 146 PHE CB C 146 38.607 38.607 39.118 -0.511 19654 14376 1 19 . 1 1 146 146 PHE H H 146 7.257 7.257 7.800 -0.543 19654 14377 1 19 . 1 1 147 147 VAL N N 147 116.525 116.525 118.655 -2.130 19654 14378 1 19 . 1 1 147 147 VAL HA H 147 3.298 3.298 3.300 -0.002 19654 14379 1 19 . 1 1 147 147 VAL CA C 147 66.080 66.080 65.817 0.263 19654 14380 1 19 . 1 1 147 147 VAL CB C 147 31.904 31.904 30.821 1.083 19654 14381 1 19 . 1 1 147 147 VAL H H 147 7.700 7.700 7.886 -0.186 19654 14382 1 19 . 1 1 148 148 GLU N N 148 118.404 118.404 120.338 -1.934 19654 14383 1 19 . 1 1 148 148 GLU HA H 148 3.985 3.985 4.243 -0.258 19654 14384 1 19 . 1 1 148 148 GLU CA C 148 58.933 58.933 59.475 -0.542 19654 14385 1 19 . 1 1 148 148 GLU CB C 148 29.535 29.535 29.474 0.061 19654 14386 1 19 . 1 1 148 148 GLU H H 148 7.801 7.801 8.145 -0.344 19654 14387 1 19 . 1 1 149 149 PHE N N 149 120.305 120.305 120.048 0.257 19654 14388 1 19 . 1 1 149 149 PHE HA H 149 3.970 3.970 4.144 -0.174 19654 14389 1 19 . 1 1 149 149 PHE CA C 149 61.341 61.341 61.226 0.115 19654 14390 1 19 . 1 1 149 149 PHE CB C 149 39.011 39.011 39.426 -0.415 19654 14391 1 19 . 1 1 149 149 PHE H H 149 8.358 8.358 8.124 0.234 19654 14392 1 19 . 1 1 150 150 PHE N N 150 112.582 112.582 112.469 0.113 19654 14393 1 19 . 1 1 150 150 PHE HA H 150 4.255 4.255 4.325 -0.070 19654 14394 1 19 . 1 1 150 150 PHE CA C 150 59.075 59.075 58.390 0.685 19654 14395 1 19 . 1 1 150 150 PHE CB C 150 39.487 39.487 39.019 0.468 19654 14396 1 19 . 1 1 150 150 PHE H H 150 6.927 6.927 7.501 -0.574 19654 14397 1 19 . 1 1 151 151 HIS N N 151 118.966 118.966 114.473 4.493 19654 14398 1 19 . 1 1 151 151 HIS HA H 151 4.370 4.370 4.365 0.005 19654 14399 1 19 . 1 1 151 151 HIS CA C 151 56.788 56.788 56.099 0.689 19654 14400 1 19 . 1 1 151 151 HIS CB C 151 28.827 28.827 26.430 2.397 19654 14401 1 19 . 1 1 151 151 HIS H H 151 7.483 7.483 7.978 -0.495 19654 14402 1 19 . 1 1 152 152 VAL N N 152 120.499 120.499 120.713 -0.214 19654 14403 1 19 . 1 1 152 152 VAL HA H 152 3.950 3.950 3.914 0.036 19654 14404 1 19 . 1 1 152 152 VAL CA C 152 62.110 62.110 64.572 -2.462 19654 14405 1 19 . 1 1 152 152 VAL CB C 152 32.593 32.593 32.756 -0.163 19654 14406 1 19 . 1 1 152 152 VAL H H 152 8.103 8.103 7.645 0.458 19654 14407 1 19 . 1 1 153 153 GLU N N 153 123.580 123.580 118.752 4.828 19654 14408 1 19 . 1 1 153 153 GLU HA H 153 4.162 4.162 4.389 -0.227 19654 14409 1 19 . 1 1 153 153 GLU CA C 153 56.433 56.433 57.071 -0.638 19654 14410 1 19 . 1 1 153 153 GLU CB C 153 30.101 30.101 29.943 0.158 19654 14411 1 19 . 1 1 153 153 GLU H H 153 8.446 8.446 8.547 -0.101 19654 14412 1 19 . 1 1 154 154 ASP N N 154 120.964 120.964 121.916 -0.952 19654 14413 1 19 . 1 1 154 154 ASP HA H 154 4.565 4.565 4.808 -0.243 19654 14414 1 19 . 1 1 154 154 ASP CA C 154 54.106 54.106 54.015 0.091 19654 14415 1 19 . 1 1 154 154 ASP CB C 154 40.836 40.836 39.021 1.815 19654 14416 1 19 . 1 1 154 154 ASP H H 154 8.325 8.325 8.466 -0.141 19654 14417 1 19 . 1 1 155 155 LEU N N 155 122.311 122.311 118.836 3.475 19654 14418 1 19 . 1 1 155 155 LEU HA H 155 4.230 4.230 4.083 0.147 19654 14419 1 19 . 1 1 155 155 LEU CA C 155 55.340 55.340 57.153 -1.813 19654 14420 1 19 . 1 1 155 155 LEU CB C 155 42.094 42.094 41.206 0.888 19654 14421 1 19 . 1 1 155 155 LEU H H 155 8.210 8.210 7.573 0.637 19654 14422 1 19 . 1 1 156 156 GLU N N 156 120.023 120.023 118.861 1.162 19654 14423 1 19 . 1 1 156 156 GLU HA H 156 4.218 4.218 4.266 -0.048 19654 14424 1 19 . 1 1 156 156 GLU CA C 156 56.831 56.831 56.695 0.136 19654 14425 1 19 . 1 1 156 156 GLU CB C 156 29.930 29.930 29.120 0.810 19654 14426 1 19 . 1 1 156 156 GLU H H 156 8.396 8.396 8.051 0.345 19654 14427 1 19 . 1 1 157 157 GLY N N 157 109.371 109.371 109.714 -0.343 19654 14428 1 19 . 1 1 157 157 GLY CA C 157 45.327 45.327 44.396 0.931 19654 14429 1 19 . 1 1 157 157 GLY H H 157 8.323 8.323 7.985 0.338 19654 14430 1 19 . 1 1 158 158 GLY N N 158 108.074 108.074 108.882 -0.808 19654 14431 1 19 . 1 1 158 158 GLY CA C 158 45.061 45.061 44.629 0.432 19654 14432 1 19 . 1 1 158 158 GLY H H 158 8.226 8.226 7.558 0.668 19654 14433 1 19 . 1 1 159 159 HIS N N 159 117.875 117.875 123.665 -5.790 19654 14434 1 19 . 1 1 159 159 HIS HA H 159 4.551 4.551 4.877 -0.326 19654 14435 1 19 . 1 1 159 159 HIS CA C 159 55.600 55.600 54.713 0.887 19654 14436 1 19 . 1 1 159 159 HIS CB C 159 29.800 29.800 29.141 0.659 19654 14437 1 19 . 1 1 159 159 HIS H H 159 8.210 8.210 7.839 0.371 19654 14438 1 19 . 1 1 161 161 HIS N N 161 125.094 125.094 120.757 4.337 19654 14439 1 19 . 1 1 161 161 HIS HA H 161 4.585 4.585 4.394 0.191 19654 14440 1 19 . 1 1 161 161 HIS H H 161 8.162 8.162 8.227 -0.065 19654 14441 1 20 . 1 1 2 2 GLU HA H 2 4.333 4.333 4.401 -0.068 19654 14442 1 20 . 1 1 2 2 GLU CA C 2 56.183 56.183 55.734 0.449 19654 14443 1 20 . 1 1 2 2 GLU CB C 2 30.150 30.150 30.857 -0.707 19654 14444 1 20 . 1 1 3 3 ASP N N 3 122.553 122.553 122.970 -0.417 19654 14445 1 20 . 1 1 3 3 ASP HA H 3 4.729 4.729 4.542 0.187 19654 14446 1 20 . 1 1 3 3 ASP CA C 3 53.659 53.659 54.449 -0.790 19654 14447 1 20 . 1 1 3 3 ASP CB C 3 41.319 41.319 42.165 -0.846 19654 14448 1 20 . 1 1 3 3 ASP H H 3 8.437 8.437 8.368 0.069 19654 14449 1 20 . 1 1 4 4 GLU N N 4 125.121 125.121 121.598 3.523 19654 14450 1 20 . 1 1 4 4 GLU HA H 4 4.235 4.235 4.028 0.207 19654 14451 1 20 . 1 1 4 4 GLU CA C 4 58.915 58.915 59.874 -0.959 19654 14452 1 20 . 1 1 4 4 GLU CB C 4 29.274 29.274 29.718 -0.444 19654 14453 1 20 . 1 1 4 4 GLU H H 4 8.726 8.726 8.690 0.036 19654 14454 1 20 . 1 1 5 5 LEU N N 5 120.976 120.976 119.804 1.172 19654 14455 1 20 . 1 1 5 5 LEU HA H 5 4.517 4.517 4.257 0.260 19654 14456 1 20 . 1 1 5 5 LEU CA C 5 57.939 57.939 58.012 -0.073 19654 14457 1 20 . 1 1 5 5 LEU CB C 5 40.917 40.917 41.710 -0.793 19654 14458 1 20 . 1 1 5 5 LEU H H 5 8.381 8.381 8.198 0.183 19654 14459 1 20 . 1 1 6 6 TYR N N 6 123.977 123.977 119.770 4.207 19654 14460 1 20 . 1 1 6 6 TYR HA H 6 3.865 3.865 4.342 -0.477 19654 14461 1 20 . 1 1 6 6 TYR CA C 6 62.721 62.721 61.634 1.087 19654 14462 1 20 . 1 1 6 6 TYR CB C 6 38.475 38.475 38.375 0.100 19654 14463 1 20 . 1 1 6 6 TYR H H 6 8.342 8.342 8.246 0.096 19654 14464 1 20 . 1 1 7 7 ARG N N 7 118.301 118.301 117.844 0.457 19654 14465 1 20 . 1 1 7 7 ARG HA H 7 3.828 3.828 4.163 -0.335 19654 14466 1 20 . 1 1 7 7 ARG CA C 7 59.619 59.619 57.983 1.636 19654 14467 1 20 . 1 1 7 7 ARG CB C 7 29.720 29.720 29.428 0.292 19654 14468 1 20 . 1 1 7 7 ARG H H 7 8.452 8.452 8.579 -0.127 19654 14469 1 20 . 1 1 8 8 GLN N N 8 119.421 119.421 119.972 -0.551 19654 14470 1 20 . 1 1 8 8 GLN HA H 8 3.944 3.944 4.119 -0.175 19654 14471 1 20 . 1 1 8 8 GLN CA C 8 58.827 58.827 58.839 -0.012 19654 14472 1 20 . 1 1 8 8 GLN CB C 8 28.918 28.918 28.308 0.610 19654 14473 1 20 . 1 1 8 8 GLN H H 8 8.894 8.894 8.030 0.864 19654 14474 1 20 . 1 1 9 9 SER N N 9 113.384 113.384 116.450 -3.066 19654 14475 1 20 . 1 1 9 9 SER HA H 9 4.007 4.007 4.111 -0.104 19654 14476 1 20 . 1 1 9 9 SER CA C 9 62.117 62.117 61.723 0.394 19654 14477 1 20 . 1 1 9 9 SER CB C 9 63.544 63.544 63.278 0.266 19654 14478 1 20 . 1 1 9 9 SER H H 9 8.018 8.018 8.169 -0.151 19654 14479 1 20 . 1 1 10 10 LEU N N 10 121.112 121.112 124.062 -2.950 19654 14480 1 20 . 1 1 10 10 LEU HA H 10 4.130 4.130 4.126 0.004 19654 14481 1 20 . 1 1 10 10 LEU CA C 10 57.022 57.022 57.648 -0.626 19654 14482 1 20 . 1 1 10 10 LEU CB C 10 41.146 41.146 41.406 -0.260 19654 14483 1 20 . 1 1 10 10 LEU H H 10 8.599 8.599 8.207 0.392 19654 14484 1 20 . 1 1 11 11 GLU N N 11 120.653 120.653 119.630 1.023 19654 14485 1 20 . 1 1 11 11 GLU HA H 11 3.914 3.914 3.971 -0.057 19654 14486 1 20 . 1 1 11 11 GLU CA C 11 59.627 59.627 59.441 0.185 19654 14487 1 20 . 1 1 11 11 GLU CB C 11 29.298 29.298 29.306 -0.008 19654 14488 1 20 . 1 1 11 11 GLU H H 11 7.806 7.806 7.685 0.121 19654 14489 1 20 . 1 1 12 12 ILE N N 12 117.297 117.297 119.577 -2.280 19654 14490 1 20 . 1 1 12 12 ILE HA H 12 3.121 3.121 3.526 -0.405 19654 14491 1 20 . 1 1 12 12 ILE CA C 12 65.774 65.774 65.461 0.313 19654 14492 1 20 . 1 1 12 12 ILE CB C 12 39.143 39.143 37.544 1.599 19654 14493 1 20 . 1 1 12 12 ILE H H 12 7.401 7.401 7.458 -0.057 19654 14494 1 20 . 1 1 13 13 ILE N N 13 117.560 117.560 119.320 -1.760 19654 14495 1 20 . 1 1 13 13 ILE HA H 13 3.302 3.302 3.451 -0.149 19654 14496 1 20 . 1 1 13 13 ILE CA C 13 66.420 66.420 65.855 0.565 19654 14497 1 20 . 1 1 13 13 ILE CB C 13 37.714 37.714 37.496 0.218 19654 14498 1 20 . 1 1 13 13 ILE H H 13 8.378 8.378 8.045 0.333 19654 14499 1 20 . 1 1 14 14 SER N N 14 113.892 113.892 115.843 -1.951 19654 14500 1 20 . 1 1 14 14 SER HA H 14 3.889 3.889 3.967 -0.078 19654 14501 1 20 . 1 1 14 14 SER CA C 14 62.310 62.310 61.747 0.563 19654 14502 1 20 . 1 1 14 14 SER CB C 14 62.282 62.282 63.012 -0.730 19654 14503 1 20 . 1 1 14 14 SER H H 14 9.048 9.048 8.300 0.748 19654 14504 1 20 . 1 1 15 15 ARG N N 15 118.890 118.890 120.365 -1.475 19654 14505 1 20 . 1 1 15 15 ARG HA H 15 4.033 4.033 3.959 0.074 19654 14506 1 20 . 1 1 15 15 ARG CA C 15 59.496 59.496 59.347 0.149 19654 14507 1 20 . 1 1 15 15 ARG CB C 15 29.727 29.727 30.079 -0.352 19654 14508 1 20 . 1 1 15 15 ARG H H 15 7.655 7.655 7.598 0.057 19654 14509 1 20 . 1 1 16 16 TYR N N 16 119.757 119.757 121.710 -1.953 19654 14510 1 20 . 1 1 16 16 TYR HA H 16 4.146 4.146 4.105 0.041 19654 14511 1 20 . 1 1 16 16 TYR CA C 16 61.265 61.265 61.607 -0.342 19654 14512 1 20 . 1 1 16 16 TYR CB C 16 38.495 38.495 38.207 0.288 19654 14513 1 20 . 1 1 16 16 TYR H H 16 8.351 8.351 8.057 0.294 19654 14514 1 20 . 1 1 17 17 LEU N N 17 118.494 118.494 119.483 -0.989 19654 14515 1 20 . 1 1 17 17 LEU HA H 17 3.375 3.375 3.773 -0.398 19654 14516 1 20 . 1 1 17 17 LEU CA C 17 59.627 59.627 58.529 1.098 19654 14517 1 20 . 1 1 17 17 LEU CB C 17 39.949 39.949 41.101 -1.152 19654 14518 1 20 . 1 1 17 17 LEU H H 17 8.578 8.578 8.370 0.208 19654 14519 1 20 . 1 1 18 18 ARG N N 18 115.962 115.962 118.322 -2.360 19654 14520 1 20 . 1 1 18 18 ARG HA H 18 3.858 3.858 3.973 -0.115 19654 14521 1 20 . 1 1 18 18 ARG CA C 18 60.233 60.233 58.622 1.611 19654 14522 1 20 . 1 1 18 18 ARG CB C 18 29.993 29.993 29.343 0.650 19654 14523 1 20 . 1 1 18 18 ARG H H 18 8.044 8.044 7.705 0.339 19654 14524 1 20 . 1 1 19 19 GLU N N 19 120.998 120.998 120.007 0.991 19654 14525 1 20 . 1 1 19 19 GLU HA H 19 4.153 4.153 4.065 0.088 19654 14526 1 20 . 1 1 19 19 GLU CA C 19 58.857 58.857 59.165 -0.308 19654 14527 1 20 . 1 1 19 19 GLU CB C 19 29.661 29.661 28.949 0.712 19654 14528 1 20 . 1 1 19 19 GLU H H 19 8.268 8.268 8.386 -0.118 19654 14529 1 20 . 1 1 20 20 GLN N N 20 119.903 119.903 117.237 2.666 19654 14530 1 20 . 1 1 20 20 GLN HA H 20 3.715 3.715 4.111 -0.396 19654 14531 1 20 . 1 1 20 20 GLN CA C 20 58.008 58.008 57.393 0.615 19654 14532 1 20 . 1 1 20 20 GLN CB C 20 28.666 28.666 28.298 0.368 19654 14533 1 20 . 1 1 20 20 GLN H H 20 8.193 8.193 7.837 0.356 19654 14534 1 20 . 1 1 21 21 ALA N N 21 117.771 117.771 121.489 -3.718 19654 14535 1 20 . 1 1 21 21 ALA HA H 21 3.985 3.985 4.123 -0.138 19654 14536 1 20 . 1 1 21 21 ALA CA C 21 54.397 54.397 54.447 -0.050 19654 14537 1 20 . 1 1 21 21 ALA CB C 21 20.022 20.022 19.200 0.822 19654 14538 1 20 . 1 1 21 21 ALA H H 21 7.883 7.883 7.840 0.043 19654 14539 1 20 . 1 1 22 22 THR N N 22 103.721 103.721 109.230 -5.509 19654 14540 1 20 . 1 1 22 22 THR HA H 22 4.279 4.279 4.262 0.017 19654 14541 1 20 . 1 1 22 22 THR CA C 22 62.357 62.357 62.727 -0.370 19654 14542 1 20 . 1 1 22 22 THR CB C 22 71.071 71.071 70.359 0.713 19654 14543 1 20 . 1 1 22 22 THR H H 22 8.024 8.024 7.941 0.083 19654 14544 1 20 . 1 1 23 23 GLY N N 23 111.610 111.610 110.860 0.750 19654 14545 1 20 . 1 1 23 23 GLY CA C 23 45.574 45.574 45.312 0.262 19654 14546 1 20 . 1 1 23 23 GLY H H 23 8.155 8.155 7.894 0.261 19654 14547 1 20 . 1 1 24 24 ALA N N 24 123.004 123.004 121.452 1.552 19654 14548 1 20 . 1 1 24 24 ALA HA H 24 4.526 4.526 4.788 -0.262 19654 14549 1 20 . 1 1 24 24 ALA CA C 24 50.763 50.763 51.199 -0.436 19654 14550 1 20 . 1 1 24 24 ALA CB C 24 20.186 20.186 21.028 -0.842 19654 14551 1 20 . 1 1 24 24 ALA H H 24 7.763 7.763 7.767 -0.004 19654 14552 1 20 . 1 1 25 25 LYS N N 25 121.392 121.392 117.919 3.473 19654 14553 1 20 . 1 1 25 25 LYS HA H 25 4.181 4.181 5.086 -0.905 19654 14554 1 20 . 1 1 25 25 LYS CA C 25 55.729 55.729 54.371 1.358 19654 14555 1 20 . 1 1 25 25 LYS CB C 25 33.175 33.175 34.158 -0.983 19654 14556 1 20 . 1 1 25 25 LYS H H 25 8.349 8.349 8.017 0.332 19654 14557 1 20 . 1 1 26 26 ASP N N 26 124.433 124.433 122.956 1.477 19654 14558 1 20 . 1 1 26 26 ASP HA H 26 4.618 4.618 4.481 0.137 19654 14559 1 20 . 1 1 26 26 ASP CA C 26 53.735 53.735 55.874 -2.139 19654 14560 1 20 . 1 1 26 26 ASP CB C 26 41.402 41.402 41.721 -0.319 19654 14561 1 20 . 1 1 26 26 ASP H H 26 8.803 8.803 8.557 0.246 19654 14562 1 20 . 1 1 27 27 THR N N 27 116.332 116.332 114.872 1.460 19654 14563 1 20 . 1 1 27 27 THR HA H 27 4.249 4.249 4.463 -0.214 19654 14564 1 20 . 1 1 27 27 THR CA C 27 61.268 61.268 62.033 -0.765 19654 14565 1 20 . 1 1 27 27 THR CB C 27 68.993 68.993 68.733 0.260 19654 14566 1 20 . 1 1 27 27 THR H H 27 8.363 8.363 8.270 0.093 19654 14567 1 20 . 1 1 28 28 LYS N N 28 125.551 125.551 122.184 3.367 19654 14568 1 20 . 1 1 28 28 LYS HA H 28 4.437 4.437 4.784 -0.347 19654 14569 1 20 . 1 1 28 28 LYS CA C 28 55.188 55.188 53.174 2.014 19654 14570 1 20 . 1 1 28 28 LYS CB C 28 31.409 31.409 34.019 -2.610 19654 14571 1 20 . 1 1 28 28 LYS H H 28 8.346 8.346 8.133 0.213 19654 14572 1 20 . 1 1 29 29 PRO HA H 29 4.392 4.392 4.449 -0.057 19654 14573 1 20 . 1 1 29 29 PRO CA C 29 63.164 63.164 63.373 -0.209 19654 14574 1 20 . 1 1 29 29 PRO CB C 29 31.904 31.904 31.717 0.187 19654 14575 1 20 . 1 1 30 30 MET N N 30 121.136 121.136 123.082 -1.946 19654 14576 1 20 . 1 1 30 30 MET HA H 30 4.381 4.381 4.500 -0.119 19654 14577 1 20 . 1 1 30 30 MET CA C 30 55.229 55.229 55.161 0.068 19654 14578 1 20 . 1 1 30 30 MET CB C 30 33.819 33.819 33.865 -0.046 19654 14579 1 20 . 1 1 30 30 MET H H 30 8.585 8.585 8.128 0.457 19654 14580 1 20 . 1 1 31 31 GLY N N 31 109.849 109.849 106.668 3.181 19654 14581 1 20 . 1 1 31 31 GLY CA C 31 44.983 44.983 45.293 -0.310 19654 14582 1 20 . 1 1 31 31 GLY H H 31 8.930 8.930 8.171 0.759 19654 14583 1 20 . 1 1 32 32 ARG N N 32 121.001 121.001 123.084 -2.083 19654 14584 1 20 . 1 1 32 32 ARG HA H 32 4.239 4.239 4.004 0.235 19654 14585 1 20 . 1 1 32 32 ARG CA C 32 56.755 56.755 58.233 -1.478 19654 14586 1 20 . 1 1 32 32 ARG CB C 32 30.110 30.110 29.718 0.392 19654 14587 1 20 . 1 1 32 32 ARG H H 32 8.447 8.447 8.728 -0.281 19654 14588 1 20 . 1 1 33 33 SER N N 33 119.991 119.991 114.648 5.343 19654 14589 1 20 . 1 1 33 33 SER HA H 33 4.386 4.386 4.539 -0.153 19654 14590 1 20 . 1 1 33 33 SER CA C 33 58.502 58.502 58.957 -0.455 19654 14591 1 20 . 1 1 33 33 SER CB C 33 62.609 62.609 63.694 -1.085 19654 14592 1 20 . 1 1 33 33 SER H H 33 8.667 8.667 7.731 0.936 19654 14593 1 20 . 1 1 34 34 GLY N N 34 108.582 108.582 109.631 -1.049 19654 14594 1 20 . 1 1 34 34 GLY CA C 34 46.637 46.637 46.176 0.461 19654 14595 1 20 . 1 1 34 34 GLY H H 34 8.216 8.216 8.075 0.141 19654 14596 1 20 . 1 1 35 35 ALA N N 35 123.445 123.445 127.445 -4.000 19654 14597 1 20 . 1 1 35 35 ALA HA H 35 4.193 4.193 3.919 0.274 19654 14598 1 20 . 1 1 35 35 ALA CA C 35 54.770 54.770 54.984 -0.214 19654 14599 1 20 . 1 1 35 35 ALA CB C 35 18.437 18.437 18.597 -0.160 19654 14600 1 20 . 1 1 35 35 ALA H H 35 8.506 8.506 8.517 -0.011 19654 14601 1 20 . 1 1 36 36 THR N N 36 115.716 115.716 114.230 1.486 19654 14602 1 20 . 1 1 36 36 THR HA H 36 3.919 3.919 3.925 -0.006 19654 14603 1 20 . 1 1 36 36 THR CA C 36 67.249 67.249 66.827 0.422 19654 14604 1 20 . 1 1 36 36 THR CB C 36 68.225 68.225 68.594 -0.369 19654 14605 1 20 . 1 1 36 36 THR H H 36 8.262 8.262 7.877 0.385 19654 14606 1 20 . 1 1 37 37 SER N N 37 117.911 117.911 116.755 1.156 19654 14607 1 20 . 1 1 37 37 SER HA H 37 3.869 3.869 4.008 -0.139 19654 14608 1 20 . 1 1 37 37 SER CA C 37 62.333 62.333 61.087 1.246 19654 14609 1 20 . 1 1 37 37 SER CB C 37 62.333 62.333 62.970 -0.637 19654 14610 1 20 . 1 1 37 37 SER H H 37 8.389 8.389 7.853 0.536 19654 14611 1 20 . 1 1 38 38 ARG N N 38 120.924 120.924 123.729 -2.805 19654 14612 1 20 . 1 1 38 38 ARG HA H 38 3.901 3.901 4.044 -0.143 19654 14613 1 20 . 1 1 38 38 ARG CA C 38 59.923 59.923 59.366 0.557 19654 14614 1 20 . 1 1 38 38 ARG CB C 38 29.759 29.759 30.220 -0.461 19654 14615 1 20 . 1 1 38 38 ARG H H 38 8.278 8.278 7.465 0.813 19654 14616 1 20 . 1 1 39 39 LYS N N 39 119.172 119.172 118.975 0.197 19654 14617 1 20 . 1 1 39 39 LYS HA H 39 4.151 4.151 3.974 0.177 19654 14618 1 20 . 1 1 39 39 LYS CA C 39 59.086 59.086 59.592 -0.506 19654 14619 1 20 . 1 1 39 39 LYS CB C 39 32.807 32.807 32.096 0.711 19654 14620 1 20 . 1 1 39 39 LYS H H 39 7.930 7.930 8.192 -0.262 19654 14621 1 20 . 1 1 40 40 ALA N N 40 125.586 125.586 122.411 3.175 19654 14622 1 20 . 1 1 40 40 ALA HA H 40 4.175 4.175 4.217 -0.042 19654 14623 1 20 . 1 1 40 40 ALA CA C 40 55.633 55.633 55.062 0.571 19654 14624 1 20 . 1 1 40 40 ALA CB C 40 18.675 18.675 18.371 0.304 19654 14625 1 20 . 1 1 40 40 ALA H H 40 9.192 9.192 7.731 1.461 19654 14626 1 20 . 1 1 41 41 LEU N N 41 120.080 120.080 120.339 -0.259 19654 14627 1 20 . 1 1 41 41 LEU HA H 41 3.930 3.930 3.873 0.057 19654 14628 1 20 . 1 1 41 41 LEU CA C 41 58.169 58.169 58.121 0.048 19654 14629 1 20 . 1 1 41 41 LEU CB C 41 41.683 41.683 41.832 -0.149 19654 14630 1 20 . 1 1 41 41 LEU H H 41 8.209 8.209 7.596 0.613 19654 14631 1 20 . 1 1 42 42 GLU N N 42 117.875 117.875 116.047 1.828 19654 14632 1 20 . 1 1 42 42 GLU HA H 42 3.977 3.977 4.057 -0.080 19654 14633 1 20 . 1 1 42 42 GLU CA C 42 59.335 59.335 59.129 0.206 19654 14634 1 20 . 1 1 42 42 GLU CB C 42 29.176 29.176 29.081 0.095 19654 14635 1 20 . 1 1 42 42 GLU H H 42 8.197 8.197 8.535 -0.338 19654 14636 1 20 . 1 1 43 43 THR N N 43 116.912 116.912 118.320 -1.408 19654 14637 1 20 . 1 1 43 43 THR HA H 43 3.793 3.793 4.114 -0.321 19654 14638 1 20 . 1 1 43 43 THR CA C 43 67.517 67.517 66.924 0.592 19654 14639 1 20 . 1 1 43 43 THR CB C 43 68.089 68.089 68.689 -0.600 19654 14640 1 20 . 1 1 43 43 THR H H 43 8.183 8.183 7.934 0.249 19654 14641 1 20 . 1 1 44 44 LEU N N 44 123.099 123.099 121.500 1.599 19654 14642 1 20 . 1 1 44 44 LEU HA H 44 3.699 3.699 3.863 -0.164 19654 14643 1 20 . 1 1 44 44 LEU CA C 44 58.261 58.261 58.109 0.152 19654 14644 1 20 . 1 1 44 44 LEU CB C 44 40.988 40.988 41.202 -0.214 19654 14645 1 20 . 1 1 44 44 LEU H H 44 8.509 8.509 8.406 0.103 19654 14646 1 20 . 1 1 45 45 ARG N N 45 116.885 116.885 116.916 -0.031 19654 14647 1 20 . 1 1 45 45 ARG HA H 45 4.125 4.125 4.436 -0.311 19654 14648 1 20 . 1 1 45 45 ARG CA C 45 59.617 59.617 58.589 1.028 19654 14649 1 20 . 1 1 45 45 ARG CB C 45 30.423 30.423 29.627 0.797 19654 14650 1 20 . 1 1 45 45 ARG H H 45 8.398 8.398 7.977 0.421 19654 14651 1 20 . 1 1 46 46 ARG N N 46 117.297 117.297 121.163 -3.866 19654 14652 1 20 . 1 1 46 46 ARG HA H 46 4.229 4.229 4.119 0.110 19654 14653 1 20 . 1 1 46 46 ARG CA C 46 58.427 58.427 59.146 -0.719 19654 14654 1 20 . 1 1 46 46 ARG CB C 46 30.408 30.408 30.406 0.002 19654 14655 1 20 . 1 1 46 46 ARG H H 46 7.421 7.421 7.708 -0.287 19654 14656 1 20 . 1 1 47 47 VAL N N 47 114.304 114.304 112.799 1.505 19654 14657 1 20 . 1 1 47 47 VAL HA H 47 4.094 4.094 4.143 -0.049 19654 14658 1 20 . 1 1 47 47 VAL CA C 47 63.242 63.242 64.314 -1.072 19654 14659 1 20 . 1 1 47 47 VAL CB C 47 32.378 32.378 31.607 0.771 19654 14660 1 20 . 1 1 47 47 VAL H H 47 8.515 8.515 8.201 0.314 19654 14661 1 20 . 1 1 48 48 GLY N N 48 110.132 110.132 108.610 1.522 19654 14662 1 20 . 1 1 48 48 GLY CA C 48 46.588 46.588 47.146 -0.558 19654 14663 1 20 . 1 1 48 48 GLY H H 48 8.890 8.890 8.434 0.456 19654 14664 1 20 . 1 1 49 49 ASP N N 49 121.292 121.292 123.088 -1.796 19654 14665 1 20 . 1 1 49 49 ASP HA H 49 4.456 4.456 4.370 0.086 19654 14666 1 20 . 1 1 49 49 ASP CA C 49 57.787 57.787 58.102 -0.315 19654 14667 1 20 . 1 1 49 49 ASP CB C 49 40.912 40.912 40.726 0.186 19654 14668 1 20 . 1 1 49 49 ASP H H 49 7.392 7.392 8.161 -0.769 19654 14669 1 20 . 1 1 50 50 GLY N N 50 106.682 106.682 107.827 -1.145 19654 14670 1 20 . 1 1 50 50 GLY CA C 50 46.932 46.932 47.076 -0.144 19654 14671 1 20 . 1 1 50 50 GLY H H 50 8.132 8.132 8.163 -0.031 19654 14672 1 20 . 1 1 51 51 VAL N N 51 121.747 121.747 122.584 -0.837 19654 14673 1 20 . 1 1 51 51 VAL HA H 51 3.944 3.944 3.699 0.245 19654 14674 1 20 . 1 1 51 51 VAL CA C 51 66.355 66.355 66.139 0.215 19654 14675 1 20 . 1 1 51 51 VAL CB C 51 31.594 31.594 31.063 0.531 19654 14676 1 20 . 1 1 51 51 VAL H H 51 7.476 7.476 7.683 -0.207 19654 14677 1 20 . 1 1 52 52 GLN N N 52 118.494 118.494 118.452 0.042 19654 14678 1 20 . 1 1 52 52 GLN HA H 52 3.913 3.913 4.052 -0.139 19654 14679 1 20 . 1 1 52 52 GLN CA C 52 60.391 60.391 59.585 0.806 19654 14680 1 20 . 1 1 52 52 GLN CB C 52 29.682 29.682 28.584 1.099 19654 14681 1 20 . 1 1 52 52 GLN H H 52 8.439 8.439 8.528 -0.089 19654 14682 1 20 . 1 1 53 53 ARG N N 53 116.807 116.807 119.387 -2.580 19654 14683 1 20 . 1 1 53 53 ARG HA H 53 4.163 4.163 4.064 0.099 19654 14684 1 20 . 1 1 53 53 ARG CA C 53 59.086 59.086 59.454 -0.368 19654 14685 1 20 . 1 1 53 53 ARG CB C 53 30.009 30.009 29.964 0.045 19654 14686 1 20 . 1 1 53 53 ARG H H 53 7.873 7.873 7.715 0.158 19654 14687 1 20 . 1 1 54 54 ASN N N 54 116.356 116.356 117.007 -0.651 19654 14688 1 20 . 1 1 54 54 ASN HA H 54 4.448 4.448 4.583 -0.135 19654 14689 1 20 . 1 1 54 54 ASN CA C 54 54.694 54.694 55.772 -1.078 19654 14690 1 20 . 1 1 54 54 ASN CB C 54 38.302 38.302 38.800 -0.498 19654 14691 1 20 . 1 1 54 54 ASN H H 54 8.123 8.123 7.895 0.228 19654 14692 1 20 . 1 1 55 55 HIS N N 55 114.809 114.809 118.514 -3.705 19654 14693 1 20 . 1 1 55 55 HIS HA H 55 4.504 4.504 4.161 0.343 19654 14694 1 20 . 1 1 55 55 HIS CA C 55 55.949 55.949 58.240 -2.292 19654 14695 1 20 . 1 1 55 55 HIS CB C 55 28.341 28.341 29.972 -1.631 19654 14696 1 20 . 1 1 55 55 HIS H H 55 7.558 7.558 8.355 -0.797 19654 14697 1 20 . 1 1 56 56 GLU N N 56 121.943 121.943 120.594 1.349 19654 14698 1 20 . 1 1 56 56 GLU HA H 56 3.640 3.640 3.531 0.109 19654 14699 1 20 . 1 1 56 56 GLU CA C 56 61.360 61.360 60.182 1.178 19654 14700 1 20 . 1 1 56 56 GLU CB C 56 30.006 30.006 29.335 0.671 19654 14701 1 20 . 1 1 56 56 GLU H H 56 7.071 7.071 8.372 -1.301 19654 14702 1 20 . 1 1 57 57 THR N N 57 112.827 112.827 113.061 -0.234 19654 14703 1 20 . 1 1 57 57 THR HA H 57 3.984 3.984 4.121 -0.137 19654 14704 1 20 . 1 1 57 57 THR CA C 57 66.247 66.247 64.826 1.421 19654 14705 1 20 . 1 1 57 57 THR CB C 57 68.002 68.002 68.600 -0.598 19654 14706 1 20 . 1 1 57 57 THR H H 57 8.324 8.324 8.307 0.017 19654 14707 1 20 . 1 1 58 58 ALA N N 58 126.520 126.520 123.499 3.021 19654 14708 1 20 . 1 1 58 58 ALA HA H 58 4.147 4.147 4.164 -0.017 19654 14709 1 20 . 1 1 58 58 ALA CA C 58 54.707 54.707 54.372 0.335 19654 14710 1 20 . 1 1 58 58 ALA CB C 58 17.734 17.734 18.263 -0.529 19654 14711 1 20 . 1 1 58 58 ALA H H 58 7.910 7.910 7.281 0.629 19654 14712 1 20 . 1 1 59 59 PHE N N 59 119.326 119.326 118.849 0.477 19654 14713 1 20 . 1 1 59 59 PHE HA H 59 4.518 4.518 4.172 0.346 19654 14714 1 20 . 1 1 59 59 PHE CA C 59 56.946 56.946 59.315 -2.369 19654 14715 1 20 . 1 1 59 59 PHE CB C 59 34.583 34.583 37.812 -3.229 19654 14716 1 20 . 1 1 59 59 PHE H H 59 9.017 9.017 8.342 0.675 19654 14717 1 20 . 1 1 60 60 GLN N N 60 119.670 119.670 118.376 1.294 19654 14718 1 20 . 1 1 60 60 GLN HA H 60 4.232 4.232 4.157 0.075 19654 14719 1 20 . 1 1 60 60 GLN CA C 60 59.359 59.359 59.163 0.196 19654 14720 1 20 . 1 1 60 60 GLN CB C 60 28.009 28.009 27.798 0.211 19654 14721 1 20 . 1 1 60 60 GLN H H 60 8.678 8.678 8.445 0.233 19654 14722 1 20 . 1 1 61 61 GLY N N 61 106.140 106.140 106.107 0.033 19654 14723 1 20 . 1 1 61 61 GLY CA C 61 47.085 47.085 46.872 0.213 19654 14724 1 20 . 1 1 61 61 GLY H H 61 7.975 7.975 7.979 -0.004 19654 14725 1 20 . 1 1 62 62 MET N N 62 120.973 120.973 119.346 1.627 19654 14726 1 20 . 1 1 62 62 MET HA H 62 4.080 4.080 4.451 -0.371 19654 14727 1 20 . 1 1 62 62 MET CA C 62 58.752 58.752 57.955 0.797 19654 14728 1 20 . 1 1 62 62 MET CB C 62 33.824 33.824 33.179 0.645 19654 14729 1 20 . 1 1 62 62 MET H H 62 8.007 8.007 7.694 0.313 19654 14730 1 20 . 1 1 63 63 LEU N N 63 119.043 119.043 120.921 -1.878 19654 14731 1 20 . 1 1 63 63 LEU HA H 63 4.139 4.139 4.019 0.120 19654 14732 1 20 . 1 1 63 63 LEU CA C 63 57.645 57.645 58.205 -0.560 19654 14733 1 20 . 1 1 63 63 LEU CB C 63 42.173 42.173 41.059 1.114 19654 14734 1 20 . 1 1 63 63 LEU H H 63 8.394 8.394 8.722 -0.328 19654 14735 1 20 . 1 1 64 64 ARG N N 64 117.294 117.294 117.977 -0.683 19654 14736 1 20 . 1 1 64 64 ARG HA H 64 4.090 4.090 4.120 -0.030 19654 14737 1 20 . 1 1 64 64 ARG CA C 64 58.551 58.551 58.443 0.108 19654 14738 1 20 . 1 1 64 64 ARG CB C 64 29.772 29.772 30.077 -0.305 19654 14739 1 20 . 1 1 64 64 ARG H H 64 7.912 7.912 8.403 -0.491 19654 14740 1 20 . 1 1 65 65 LYS N N 65 116.840 116.840 115.857 0.983 19654 14741 1 20 . 1 1 65 65 LYS HA H 65 4.165 4.165 4.575 -0.410 19654 14742 1 20 . 1 1 65 65 LYS CA C 65 57.175 57.175 56.245 0.930 19654 14743 1 20 . 1 1 65 65 LYS CB C 65 32.299 32.299 32.660 -0.361 19654 14744 1 20 . 1 1 65 65 LYS H H 65 7.506 7.506 7.774 -0.268 19654 14745 1 20 . 1 1 66 66 LEU N N 66 119.257 119.257 121.136 -1.879 19654 14746 1 20 . 1 1 66 66 LEU HA H 66 4.232 4.232 4.356 -0.124 19654 14747 1 20 . 1 1 66 66 LEU CA C 66 55.442 55.442 55.840 -0.398 19654 14748 1 20 . 1 1 66 66 LEU CB C 66 43.042 43.042 42.679 0.363 19654 14749 1 20 . 1 1 66 66 LEU H H 66 7.736 7.736 7.633 0.103 19654 14750 1 20 . 1 1 67 67 ASP N N 67 119.743 119.743 117.126 2.617 19654 14751 1 20 . 1 1 67 67 ASP HA H 67 4.457 4.457 4.494 -0.037 19654 14752 1 20 . 1 1 67 67 ASP CA C 67 53.850 53.850 55.045 -1.195 19654 14753 1 20 . 1 1 67 67 ASP CB C 67 40.195 40.195 39.884 0.311 19654 14754 1 20 . 1 1 67 67 ASP H H 67 8.068 8.068 8.375 -0.307 19654 14755 1 20 . 1 1 68 68 ILE N N 68 120.055 120.055 121.300 -1.245 19654 14756 1 20 . 1 1 68 68 ILE HA H 68 3.870 3.870 3.972 -0.102 19654 14757 1 20 . 1 1 68 68 ILE CA C 68 61.524 61.524 60.926 0.598 19654 14758 1 20 . 1 1 68 68 ILE CB C 68 37.986 37.986 37.508 0.478 19654 14759 1 20 . 1 1 68 68 ILE H H 68 8.275 8.275 8.607 -0.332 19654 14760 1 20 . 1 1 69 69 LYS N N 69 126.186 126.186 127.523 -1.337 19654 14761 1 20 . 1 1 69 69 LYS HA H 69 4.481 4.481 4.399 0.082 19654 14762 1 20 . 1 1 69 69 LYS CA C 69 56.304 56.304 55.856 0.448 19654 14763 1 20 . 1 1 69 69 LYS CB C 69 34.136 34.136 33.498 0.638 19654 14764 1 20 . 1 1 69 69 LYS H H 69 9.722 9.722 8.717 1.005 19654 14765 1 20 . 1 1 70 70 ASN N N 70 115.056 115.056 115.260 -0.204 19654 14766 1 20 . 1 1 70 70 ASN HA H 70 4.700 4.700 4.786 -0.086 19654 14767 1 20 . 1 1 70 70 ASN CA C 70 51.977 51.977 52.207 -0.230 19654 14768 1 20 . 1 1 70 70 ASN CB C 70 39.474 39.474 39.410 0.064 19654 14769 1 20 . 1 1 70 70 ASN H H 70 7.959 7.959 8.241 -0.282 19654 14770 1 20 . 1 1 71 71 GLU N N 71 118.214 118.214 119.514 -1.300 19654 14771 1 20 . 1 1 71 71 GLU HA H 71 3.967 3.967 3.879 0.088 19654 14772 1 20 . 1 1 71 71 GLU CA C 71 59.354 59.354 60.175 -0.821 19654 14773 1 20 . 1 1 71 71 GLU CB C 71 29.520 29.520 29.637 -0.117 19654 14774 1 20 . 1 1 71 71 GLU H H 71 8.831 8.831 8.900 -0.069 19654 14775 1 20 . 1 1 72 72 ASP N N 72 120.319 120.319 117.251 3.068 19654 14776 1 20 . 1 1 72 72 ASP HA H 72 4.422 4.422 4.358 0.064 19654 14777 1 20 . 1 1 72 72 ASP CA C 72 57.036 57.036 57.476 -0.440 19654 14778 1 20 . 1 1 72 72 ASP CB C 72 39.945 39.945 40.685 -0.740 19654 14779 1 20 . 1 1 72 72 ASP H H 72 8.167 8.167 8.136 0.031 19654 14780 1 20 . 1 1 73 73 ASP N N 73 119.793 119.793 119.385 0.408 19654 14781 1 20 . 1 1 73 73 ASP HA H 73 4.521 4.521 4.422 0.099 19654 14782 1 20 . 1 1 73 73 ASP CA C 73 56.337 56.337 57.297 -0.960 19654 14783 1 20 . 1 1 73 73 ASP CB C 73 41.927 41.927 40.761 1.167 19654 14784 1 20 . 1 1 73 73 ASP H H 73 8.153 8.153 7.846 0.307 19654 14785 1 20 . 1 1 74 74 VAL N N 74 117.572 117.572 120.542 -2.970 19654 14786 1 20 . 1 1 74 74 VAL HA H 74 3.714 3.714 3.597 0.117 19654 14787 1 20 . 1 1 74 74 VAL CA C 74 65.498 65.498 66.482 -0.984 19654 14788 1 20 . 1 1 74 74 VAL CB C 74 31.077 31.077 31.506 -0.429 19654 14789 1 20 . 1 1 74 74 VAL H H 74 7.629 7.629 7.416 0.213 19654 14790 1 20 . 1 1 75 75 LYS N N 75 119.403 119.403 118.636 0.767 19654 14791 1 20 . 1 1 75 75 LYS HA H 75 4.154 4.154 4.041 0.113 19654 14792 1 20 . 1 1 75 75 LYS CA C 75 59.034 59.034 59.395 -0.361 19654 14793 1 20 . 1 1 75 75 LYS CB C 75 31.909 31.909 32.161 -0.252 19654 14794 1 20 . 1 1 75 75 LYS H H 75 7.961 7.961 7.803 0.158 19654 14795 1 20 . 1 1 76 76 SER N N 76 114.355 114.355 115.391 -1.036 19654 14796 1 20 . 1 1 76 76 SER HA H 76 4.453 4.453 4.291 0.162 19654 14797 1 20 . 1 1 76 76 SER CA C 76 60.061 60.061 60.997 -0.936 19654 14798 1 20 . 1 1 76 76 SER CB C 76 63.023 63.023 62.721 0.302 19654 14799 1 20 . 1 1 76 76 SER H H 76 7.919 7.919 7.332 0.587 19654 14800 1 20 . 1 1 77 77 LEU N N 77 121.954 121.954 121.314 0.640 19654 14801 1 20 . 1 1 77 77 LEU HA H 77 4.230 4.230 4.051 0.179 19654 14802 1 20 . 1 1 77 77 LEU CA C 77 56.764 56.764 57.495 -0.731 19654 14803 1 20 . 1 1 77 77 LEU CB C 77 41.695 41.695 41.506 0.189 19654 14804 1 20 . 1 1 77 77 LEU H H 77 7.883 7.883 7.707 0.176 19654 14805 1 20 . 1 1 78 78 SER N N 78 115.268 115.268 113.823 1.445 19654 14806 1 20 . 1 1 78 78 SER HA H 78 3.962 3.962 4.059 -0.097 19654 14807 1 20 . 1 1 78 78 SER CA C 78 62.337 62.337 61.425 0.912 19654 14808 1 20 . 1 1 78 78 SER CB C 78 62.218 62.218 62.979 -0.761 19654 14809 1 20 . 1 1 78 78 SER H H 78 8.185 8.185 7.818 0.367 19654 14810 1 20 . 1 1 79 79 ARG N N 79 119.021 119.021 120.476 -1.455 19654 14811 1 20 . 1 1 79 79 ARG HA H 79 4.090 4.090 4.154 -0.064 19654 14812 1 20 . 1 1 79 79 ARG CA C 79 58.849 58.849 58.315 0.534 19654 14813 1 20 . 1 1 79 79 ARG CB C 79 29.930 29.930 29.645 0.285 19654 14814 1 20 . 1 1 79 79 ARG H H 79 7.684 7.684 7.616 0.068 19654 14815 1 20 . 1 1 80 80 VAL N N 80 116.979 116.979 121.018 -4.039 19654 14816 1 20 . 1 1 80 80 VAL HA H 80 3.953 3.953 3.704 0.249 19654 14817 1 20 . 1 1 80 80 VAL CA C 80 64.228 64.228 66.418 -2.190 19654 14818 1 20 . 1 1 80 80 VAL CB C 80 32.210 32.210 31.612 0.598 19654 14819 1 20 . 1 1 80 80 VAL H H 80 7.479 7.479 7.342 0.137 19654 14820 1 20 . 1 1 81 81 MET N N 81 117.822 117.822 118.029 -0.207 19654 14821 1 20 . 1 1 81 81 MET HA H 81 4.053 4.053 4.049 0.004 19654 14822 1 20 . 1 1 81 81 MET CA C 81 58.322 58.322 57.468 0.854 19654 14823 1 20 . 1 1 81 81 MET CB C 81 32.555 32.555 31.230 1.325 19654 14824 1 20 . 1 1 81 81 MET H H 81 8.104 8.104 7.791 0.313 19654 14825 1 20 . 1 1 82 82 ILE N N 82 116.348 116.348 118.716 -2.368 19654 14826 1 20 . 1 1 82 82 ILE HA H 82 3.815 3.815 3.759 0.056 19654 14827 1 20 . 1 1 82 82 ILE CA C 82 63.653 63.653 65.306 -1.653 19654 14828 1 20 . 1 1 82 82 ILE CB C 82 37.879 37.879 37.291 0.588 19654 14829 1 20 . 1 1 82 82 ILE H H 82 7.789 7.789 7.655 0.134 19654 14830 1 20 . 1 1 83 83 HIS N N 83 118.994 118.994 117.709 1.285 19654 14831 1 20 . 1 1 83 83 HIS HA H 83 4.409 4.409 4.381 0.028 19654 14832 1 20 . 1 1 83 83 HIS CA C 83 58.245 58.245 59.537 -1.292 19654 14833 1 20 . 1 1 83 83 HIS CB C 83 29.735 29.735 29.369 0.366 19654 14834 1 20 . 1 1 83 83 HIS H H 83 7.543 7.543 7.513 0.030 19654 14835 1 20 . 1 1 84 84 VAL N N 84 117.112 117.112 119.451 -2.339 19654 14836 1 20 . 1 1 84 84 VAL HA H 84 3.631 3.631 3.666 -0.035 19654 14837 1 20 . 1 1 84 84 VAL CA C 84 64.628 64.628 65.758 -1.130 19654 14838 1 20 . 1 1 84 84 VAL CB C 84 31.904 31.904 31.592 0.312 19654 14839 1 20 . 1 1 84 84 VAL H H 84 7.713 7.713 7.652 0.061 19654 14840 1 20 . 1 1 85 85 PHE N N 85 115.531 115.531 116.045 -0.514 19654 14841 1 20 . 1 1 85 85 PHE HA H 85 4.733 4.733 4.626 0.107 19654 14842 1 20 . 1 1 85 85 PHE CA C 85 57.326 57.326 56.056 1.270 19654 14843 1 20 . 1 1 85 85 PHE CB C 85 39.507 39.507 37.068 2.439 19654 14844 1 20 . 1 1 85 85 PHE H H 85 7.743 7.743 7.510 0.233 19654 14845 1 20 . 1 1 86 86 SER N N 86 114.812 114.812 117.142 -2.330 19654 14846 1 20 . 1 1 86 86 SER HA H 86 4.275 4.275 4.278 -0.003 19654 14847 1 20 . 1 1 86 86 SER CA C 86 59.832 59.832 60.677 -0.845 19654 14848 1 20 . 1 1 86 86 SER CB C 86 63.482 63.482 63.467 0.015 19654 14849 1 20 . 1 1 86 86 SER H H 86 7.634 7.634 7.841 -0.207 19654 14850 1 20 . 1 1 87 87 ASP N N 87 120.986 120.986 120.334 0.652 19654 14851 1 20 . 1 1 87 87 ASP HA H 87 4.491 4.491 4.723 -0.232 19654 14852 1 20 . 1 1 87 87 ASP CA C 87 54.032 54.032 54.154 -0.122 19654 14853 1 20 . 1 1 87 87 ASP CB C 87 40.411 40.411 41.864 -1.453 19654 14854 1 20 . 1 1 87 87 ASP H H 87 8.043 8.043 8.209 -0.166 19654 14855 1 20 . 1 1 88 88 GLY N N 88 108.171 108.171 106.588 1.583 19654 14856 1 20 . 1 1 88 88 GLY CA C 88 44.981 44.981 44.910 0.071 19654 14857 1 20 . 1 1 88 88 GLY H H 88 8.163 8.163 8.378 -0.215 19654 14858 1 20 . 1 1 89 89 VAL N N 89 121.716 121.716 118.851 2.865 19654 14859 1 20 . 1 1 89 89 VAL HA H 89 3.879 3.879 4.058 -0.179 19654 14860 1 20 . 1 1 89 89 VAL CA C 89 62.471 62.471 61.434 1.037 19654 14861 1 20 . 1 1 89 89 VAL CB C 89 32.418 32.418 32.085 0.333 19654 14862 1 20 . 1 1 89 89 VAL H H 89 7.886 7.886 7.458 0.428 19654 14863 1 20 . 1 1 90 90 THR N N 90 121.669 121.669 115.250 6.419 19654 14864 1 20 . 1 1 90 90 THR HA H 90 3.657 3.657 3.895 -0.238 19654 14865 1 20 . 1 1 90 90 THR CA C 90 62.473 62.473 60.765 1.708 19654 14866 1 20 . 1 1 90 90 THR CB C 90 68.528 68.528 67.780 0.748 19654 14867 1 20 . 1 1 90 90 THR H H 90 8.201 8.201 8.221 -0.020 19654 14868 1 20 . 1 1 91 91 ASN HA H 91 4.162 4.162 4.642 -0.480 19654 14869 1 20 . 1 1 91 91 ASN CA C 91 51.748 51.748 52.080 -0.332 19654 14870 1 20 . 1 1 91 91 ASN CB C 91 39.645 39.645 38.098 1.547 19654 14871 1 20 . 1 1 91 91 ASN H H 91 8.826 8.826 7.491 1.335 19654 14872 1 20 . 1 1 92 92 TRP N N 92 118.437 118.437 125.968 -7.531 19654 14873 1 20 . 1 1 92 92 TRP HA H 92 4.739 4.739 4.302 0.437 19654 14874 1 20 . 1 1 92 92 TRP CA C 92 60.233 60.233 60.438 -0.205 19654 14875 1 20 . 1 1 92 92 TRP CB C 92 30.167 30.167 28.820 1.347 19654 14876 1 20 . 1 1 92 92 TRP H H 92 8.942 8.942 8.315 0.627 19654 14877 1 20 . 1 1 93 93 GLY N N 93 108.154 108.154 108.373 -0.219 19654 14878 1 20 . 1 1 93 93 GLY CA C 93 47.544 47.544 47.073 0.471 19654 14879 1 20 . 1 1 93 93 GLY H H 93 8.697 8.697 8.881 -0.184 19654 14880 1 20 . 1 1 94 94 ARG N N 94 122.547 122.547 121.011 1.536 19654 14881 1 20 . 1 1 94 94 ARG HA H 94 4.072 4.072 4.197 -0.125 19654 14882 1 20 . 1 1 94 94 ARG CA C 94 58.556 58.556 59.299 -0.743 19654 14883 1 20 . 1 1 94 94 ARG CB C 94 30.201 30.201 30.149 0.052 19654 14884 1 20 . 1 1 94 94 ARG H H 94 8.353 8.353 8.150 0.203 19654 14885 1 20 . 1 1 95 95 ILE N N 95 120.130 120.130 120.162 -0.032 19654 14886 1 20 . 1 1 95 95 ILE HA H 95 3.708 3.708 4.106 -0.398 19654 14887 1 20 . 1 1 95 95 ILE CA C 95 65.511 65.511 63.858 1.653 19654 14888 1 20 . 1 1 95 95 ILE CB C 95 37.486 37.486 37.052 0.434 19654 14889 1 20 . 1 1 95 95 ILE H H 95 7.545 7.545 7.616 -0.071 19654 14890 1 20 . 1 1 96 96 VAL N N 96 119.403 119.403 120.588 -1.185 19654 14891 1 20 . 1 1 96 96 VAL HA H 96 3.723 3.723 3.724 -0.001 19654 14892 1 20 . 1 1 96 96 VAL CA C 96 67.249 67.249 67.556 -0.307 19654 14893 1 20 . 1 1 96 96 VAL CB C 96 31.001 31.001 31.216 -0.215 19654 14894 1 20 . 1 1 96 96 VAL H H 96 8.990 8.990 8.557 0.433 19654 14895 1 20 . 1 1 97 97 THR N N 97 122.016 122.016 117.607 4.409 19654 14896 1 20 . 1 1 97 97 THR HA H 97 3.784 3.784 4.016 -0.232 19654 14897 1 20 . 1 1 97 97 THR CA C 97 68.159 68.159 66.613 1.546 19654 14898 1 20 . 1 1 97 97 THR CB C 97 67.212 67.212 68.702 -1.490 19654 14899 1 20 . 1 1 97 97 THR H H 97 8.605 8.605 8.127 0.478 19654 14900 1 20 . 1 1 98 98 LEU N N 98 122.476 122.476 123.800 -1.324 19654 14901 1 20 . 1 1 98 98 LEU HA H 98 3.805 3.805 4.089 -0.284 19654 14902 1 20 . 1 1 98 98 LEU CA C 98 58.818 58.818 58.227 0.591 19654 14903 1 20 . 1 1 98 98 LEU CB C 98 41.158 41.158 41.845 -0.687 19654 14904 1 20 . 1 1 98 98 LEU H H 98 7.769 7.769 7.917 -0.148 19654 14905 1 20 . 1 1 99 99 ILE N N 99 117.997 117.997 118.019 -0.022 19654 14906 1 20 . 1 1 99 99 ILE HA H 99 3.509 3.509 3.659 -0.150 19654 14907 1 20 . 1 1 99 99 ILE CA C 99 66.261 66.261 65.813 0.448 19654 14908 1 20 . 1 1 99 99 ILE CB C 99 38.350 38.350 37.502 0.848 19654 14909 1 20 . 1 1 99 99 ILE H H 99 8.175 8.175 8.251 -0.076 19654 14910 1 20 . 1 1 100 100 SER N N 100 116.934 116.934 117.219 -0.285 19654 14911 1 20 . 1 1 100 100 SER HA H 100 4.447 4.447 4.417 0.030 19654 14912 1 20 . 1 1 100 100 SER CA C 100 63.290 63.290 62.183 1.107 19654 14913 1 20 . 1 1 100 100 SER CB C 100 62.867 62.867 63.218 -0.351 19654 14914 1 20 . 1 1 100 100 SER H H 100 8.989 8.989 8.696 0.293 19654 14915 1 20 . 1 1 101 101 PHE N N 101 124.640 124.640 124.042 0.598 19654 14916 1 20 . 1 1 101 101 PHE HA H 101 3.420 3.420 3.955 -0.535 19654 14917 1 20 . 1 1 101 101 PHE CA C 101 60.499 60.499 59.854 0.645 19654 14918 1 20 . 1 1 101 101 PHE CB C 101 37.333 37.333 38.356 -1.023 19654 14919 1 20 . 1 1 101 101 PHE H H 101 8.513 8.513 8.508 0.005 19654 14920 1 20 . 1 1 102 102 GLY N N 102 106.116 106.116 107.004 -0.888 19654 14921 1 20 . 1 1 102 102 GLY CA C 102 48.166 48.166 47.020 1.146 19654 14922 1 20 . 1 1 102 102 GLY H H 102 8.111 8.111 8.342 -0.231 19654 14923 1 20 . 1 1 103 103 ALA N N 103 124.560 124.560 124.204 0.356 19654 14924 1 20 . 1 1 103 103 ALA HA H 103 3.780 3.780 3.964 -0.184 19654 14925 1 20 . 1 1 103 103 ALA CA C 103 55.646 55.646 54.476 1.170 19654 14926 1 20 . 1 1 103 103 ALA CB C 103 18.476 18.476 18.524 -0.048 19654 14927 1 20 . 1 1 103 103 ALA H H 103 8.437 8.437 8.192 0.245 19654 14928 1 20 . 1 1 104 104 PHE N N 104 120.981 120.981 120.495 0.486 19654 14929 1 20 . 1 1 104 104 PHE HA H 104 3.989 3.989 4.197 -0.208 19654 14930 1 20 . 1 1 104 104 PHE CA C 104 62.258 62.258 61.310 0.948 19654 14931 1 20 . 1 1 104 104 PHE CB C 104 39.949 39.949 39.545 0.404 19654 14932 1 20 . 1 1 104 104 PHE H H 104 8.213 8.213 8.084 0.129 19654 14933 1 20 . 1 1 105 105 VAL N N 105 120.473 120.473 119.308 1.165 19654 14934 1 20 . 1 1 105 105 VAL HA H 105 3.236 3.236 3.408 -0.172 19654 14935 1 20 . 1 1 105 105 VAL CA C 105 66.348 66.348 66.494 -0.146 19654 14936 1 20 . 1 1 105 105 VAL CB C 105 30.720 30.720 30.912 -0.192 19654 14937 1 20 . 1 1 105 105 VAL H H 105 8.513 8.513 8.255 0.258 19654 14938 1 20 . 1 1 106 106 ALA N N 106 123.948 123.948 122.899 1.049 19654 14939 1 20 . 1 1 106 106 ALA HA H 106 3.660 3.660 3.786 -0.126 19654 14940 1 20 . 1 1 106 106 ALA CA C 106 55.607 55.607 55.539 0.068 19654 14941 1 20 . 1 1 106 106 ALA CB C 106 18.003 18.003 18.013 -0.010 19654 14942 1 20 . 1 1 106 106 ALA H H 106 8.807 8.807 8.133 0.674 19654 14943 1 20 . 1 1 107 107 LYS N N 107 115.836 115.836 118.020 -2.184 19654 14944 1 20 . 1 1 107 107 LYS HA H 107 3.733 3.733 3.815 -0.082 19654 14945 1 20 . 1 1 107 107 LYS CA C 107 60.462 60.462 59.788 0.674 19654 14946 1 20 . 1 1 107 107 LYS CB C 107 31.907 31.907 32.069 -0.163 19654 14947 1 20 . 1 1 107 107 LYS H H 107 7.934 7.934 7.575 0.359 19654 14948 1 20 . 1 1 108 108 HIS N N 108 120.459 120.459 119.218 1.241 19654 14949 1 20 . 1 1 108 108 HIS HA H 108 4.212 4.212 4.245 -0.033 19654 14950 1 20 . 1 1 108 108 HIS CA C 108 59.623 59.623 59.237 0.386 19654 14951 1 20 . 1 1 108 108 HIS CB C 108 29.838 29.838 29.587 0.251 19654 14952 1 20 . 1 1 108 108 HIS H H 108 7.254 7.254 7.338 -0.084 19654 14953 1 20 . 1 1 109 109 LEU N N 109 118.336 118.336 120.358 -2.022 19654 14954 1 20 . 1 1 109 109 LEU HA H 109 3.640 3.640 3.827 -0.187 19654 14955 1 20 . 1 1 109 109 LEU CA C 109 56.945 56.945 57.918 -0.973 19654 14956 1 20 . 1 1 109 109 LEU CB C 109 39.709 39.709 41.626 -1.917 19654 14957 1 20 . 1 1 109 109 LEU H H 109 8.709 8.709 8.461 0.248 19654 14958 1 20 . 1 1 110 110 LYS N N 110 118.036 118.036 119.241 -1.205 19654 14959 1 20 . 1 1 110 110 LYS HA H 110 3.944 3.944 3.899 0.045 19654 14960 1 20 . 1 1 110 110 LYS CA C 110 58.967 58.967 59.642 -0.675 19654 14961 1 20 . 1 1 110 110 LYS CB C 110 32.220 32.220 32.222 -0.002 19654 14962 1 20 . 1 1 110 110 LYS H H 110 7.752 7.752 8.157 -0.405 19654 14963 1 20 . 1 1 111 111 THR N N 111 115.985 115.985 115.226 0.759 19654 14964 1 20 . 1 1 111 111 THR HA H 111 3.990 3.990 4.001 -0.011 19654 14965 1 20 . 1 1 111 111 THR CA C 111 65.921 65.921 65.924 -0.003 19654 14966 1 20 . 1 1 111 111 THR CB C 111 68.611 68.611 68.727 -0.116 19654 14967 1 20 . 1 1 111 111 THR H H 111 7.832 7.832 7.842 -0.010 19654 14968 1 20 . 1 1 112 112 ILE N N 112 112.606 112.606 116.286 -3.680 19654 14969 1 20 . 1 1 112 112 ILE HA H 112 4.454 4.454 4.415 0.039 19654 14970 1 20 . 1 1 112 112 ILE CA C 112 60.922 60.922 60.034 0.888 19654 14971 1 20 . 1 1 112 112 ILE CB C 112 36.813 36.813 37.194 -0.381 19654 14972 1 20 . 1 1 112 112 ILE H H 112 7.262 7.262 7.159 0.103 19654 14973 1 20 . 1 1 113 113 ASN N N 113 116.297 116.297 115.144 1.153 19654 14974 1 20 . 1 1 113 113 ASN HA H 113 4.576 4.576 4.345 0.231 19654 14975 1 20 . 1 1 113 113 ASN CA C 113 54.653 54.653 54.472 0.181 19654 14976 1 20 . 1 1 113 113 ASN CB C 113 36.497 36.497 36.543 -0.046 19654 14977 1 20 . 1 1 113 113 ASN H H 113 7.816 7.816 7.925 -0.109 19654 14978 1 20 . 1 1 114 114 GLN N N 114 117.958 117.958 116.948 1.010 19654 14979 1 20 . 1 1 114 114 GLN HA H 114 4.739 4.739 4.335 0.404 19654 14980 1 20 . 1 1 114 114 GLN CA C 114 54.079 54.079 54.730 -0.651 19654 14981 1 20 . 1 1 114 114 GLN CB C 114 28.840 28.840 27.394 1.446 19654 14982 1 20 . 1 1 114 114 GLN H H 114 8.522 8.522 8.322 0.200 19654 14983 1 20 . 1 1 115 115 GLU N N 115 120.597 120.597 122.168 -1.571 19654 14984 1 20 . 1 1 115 115 GLU HA H 115 3.646 3.646 3.961 -0.315 19654 14985 1 20 . 1 1 115 115 GLU CA C 115 59.569 59.569 60.296 -0.727 19654 14986 1 20 . 1 1 115 115 GLU CB C 115 29.061 29.061 28.949 0.112 19654 14987 1 20 . 1 1 115 115 GLU H H 115 8.881 8.881 8.563 0.318 19654 14988 1 20 . 1 1 116 116 SER N N 116 115.352 115.352 114.516 0.836 19654 14989 1 20 . 1 1 116 116 SER HA H 116 4.250 4.250 4.194 0.056 19654 14990 1 20 . 1 1 116 116 SER CA C 116 60.593 60.593 60.897 -0.304 19654 14991 1 20 . 1 1 116 116 SER CB C 116 62.231 62.231 62.827 -0.596 19654 14992 1 20 . 1 1 116 116 SER H H 116 8.702 8.702 8.706 -0.004 19654 14993 1 20 . 1 1 117 117 SER N N 117 116.944 116.944 118.311 -1.367 19654 14994 1 20 . 1 1 117 117 SER HA H 117 4.461 4.461 4.231 0.230 19654 14995 1 20 . 1 1 117 117 SER CA C 117 60.219 60.219 60.956 -0.737 19654 14996 1 20 . 1 1 117 117 SER CB C 117 64.116 64.116 62.701 1.415 19654 14997 1 20 . 1 1 117 117 SER H H 117 7.963 7.963 7.813 0.150 19654 14998 1 20 . 1 1 118 118 ILE N N 118 122.505 122.505 121.580 0.925 19654 14999 1 20 . 1 1 118 118 ILE HA H 118 3.419 3.419 3.559 -0.140 19654 15000 1 20 . 1 1 118 118 ILE CA C 118 66.227 66.227 65.519 0.708 19654 15001 1 20 . 1 1 118 118 ILE CB C 118 36.723 36.723 37.493 -0.770 19654 15002 1 20 . 1 1 118 118 ILE H H 118 7.945 7.945 8.008 -0.063 19654 15003 1 20 . 1 1 119 119 GLU N N 119 119.604 119.604 119.560 0.044 19654 15004 1 20 . 1 1 119 119 GLU HA H 119 4.244 4.244 4.190 0.054 19654 15005 1 20 . 1 1 119 119 GLU CA C 119 61.540 61.540 61.147 0.393 19654 15006 1 20 . 1 1 119 119 GLU CB C 119 26.092 26.092 27.788 -1.696 19654 15007 1 20 . 1 1 119 119 GLU H H 119 8.244 8.244 7.740 0.504 19654 15008 1 20 . 1 1 120 120 PRO HA H 120 4.446 4.446 4.556 -0.110 19654 15009 1 20 . 1 1 120 120 PRO CA C 120 65.583 65.583 65.379 0.204 19654 15010 1 20 . 1 1 120 120 PRO CB C 120 30.167 30.167 31.437 -1.270 19654 15011 1 20 . 1 1 121 121 LEU N N 121 120.974 120.974 120.036 0.938 19654 15012 1 20 . 1 1 121 121 LEU HA H 121 3.990 3.990 4.078 -0.088 19654 15013 1 20 . 1 1 121 121 LEU CA C 121 58.436 58.436 57.602 0.834 19654 15014 1 20 . 1 1 121 121 LEU CB C 121 40.988 40.988 41.689 -0.701 19654 15015 1 20 . 1 1 121 121 LEU H H 121 7.587 7.587 7.810 -0.223 19654 15016 1 20 . 1 1 122 122 ALA N N 122 121.982 121.982 121.472 0.510 19654 15017 1 20 . 1 1 122 122 ALA HA H 122 3.743 3.743 3.883 -0.140 19654 15018 1 20 . 1 1 122 122 ALA CA C 122 55.233 55.233 55.305 -0.072 19654 15019 1 20 . 1 1 122 122 ALA CB C 122 17.687 17.687 17.886 -0.199 19654 15020 1 20 . 1 1 122 122 ALA H H 122 8.593 8.593 8.349 0.244 19654 15021 1 20 . 1 1 123 123 GLU N N 123 120.516 120.516 118.567 1.949 19654 15022 1 20 . 1 1 123 123 GLU HA H 123 3.862 3.862 3.875 -0.013 19654 15023 1 20 . 1 1 123 123 GLU CA C 123 59.995 59.995 59.664 0.331 19654 15024 1 20 . 1 1 123 123 GLU CB C 123 29.298 29.298 29.536 -0.238 19654 15025 1 20 . 1 1 123 123 GLU H H 123 8.568 8.568 8.520 0.048 19654 15026 1 20 . 1 1 124 124 SER N N 124 116.054 116.054 115.706 0.348 19654 15027 1 20 . 1 1 124 124 SER HA H 124 4.367 4.367 4.226 0.141 19654 15028 1 20 . 1 1 124 124 SER CA C 124 62.240 62.240 62.388 -0.148 19654 15029 1 20 . 1 1 124 124 SER CB C 124 63.074 63.074 63.023 0.051 19654 15030 1 20 . 1 1 124 124 SER H H 124 8.282 8.282 7.784 0.498 19654 15031 1 20 . 1 1 125 125 ILE N N 125 120.575 120.575 122.241 -1.666 19654 15032 1 20 . 1 1 125 125 ILE HA H 125 3.627 3.627 3.714 -0.087 19654 15033 1 20 . 1 1 125 125 ILE CA C 125 64.655 64.655 64.583 0.072 19654 15034 1 20 . 1 1 125 125 ILE CB C 125 37.413 37.413 36.556 0.857 19654 15035 1 20 . 1 1 125 125 ILE H H 125 8.343 8.343 8.359 -0.016 19654 15036 1 20 . 1 1 126 126 THR N N 126 116.459 116.459 115.574 0.885 19654 15037 1 20 . 1 1 126 126 THR HA H 126 3.482 3.482 3.969 -0.487 19654 15038 1 20 . 1 1 126 126 THR CA C 126 68.679 68.679 67.171 1.508 19654 15039 1 20 . 1 1 126 126 THR CB C 126 67.075 67.075 67.936 -0.861 19654 15040 1 20 . 1 1 126 126 THR H H 126 8.056 8.056 8.151 -0.095 19654 15041 1 20 . 1 1 127 127 ASP N N 127 120.236 120.236 122.391 -2.155 19654 15042 1 20 . 1 1 127 127 ASP HA H 127 4.481 4.481 4.577 -0.096 19654 15043 1 20 . 1 1 127 127 ASP CA C 127 58.322 58.322 58.004 0.318 19654 15044 1 20 . 1 1 127 127 ASP CB C 127 41.822 41.822 41.127 0.695 19654 15045 1 20 . 1 1 127 127 ASP H H 127 8.813 8.813 8.311 0.502 19654 15046 1 20 . 1 1 128 128 VAL N N 128 116.904 116.904 120.045 -3.141 19654 15047 1 20 . 1 1 128 128 VAL HA H 128 3.677 3.677 3.840 -0.163 19654 15048 1 20 . 1 1 128 128 VAL CA C 128 66.346 66.346 66.020 0.326 19654 15049 1 20 . 1 1 128 128 VAL CB C 128 31.351 31.351 31.364 -0.013 19654 15050 1 20 . 1 1 128 128 VAL H H 128 7.949 7.949 8.147 -0.198 19654 15051 1 20 . 1 1 129 129 LEU N N 129 121.043 121.043 121.876 -0.833 19654 15052 1 20 . 1 1 129 129 LEU HA H 129 3.819 3.819 4.042 -0.223 19654 15053 1 20 . 1 1 129 129 LEU CA C 129 58.742 58.742 58.403 0.339 19654 15054 1 20 . 1 1 129 129 LEU CB C 129 42.370 42.370 41.913 0.457 19654 15055 1 20 . 1 1 129 129 LEU H H 129 8.198 8.198 8.010 0.188 19654 15056 1 20 . 1 1 130 130 VAL N N 130 114.370 114.370 117.692 -3.322 19654 15057 1 20 . 1 1 130 130 VAL HA H 130 3.525 3.525 3.611 -0.086 19654 15058 1 20 . 1 1 130 130 VAL CA C 130 66.004 66.004 65.997 0.007 19654 15059 1 20 . 1 1 130 130 VAL CB C 130 31.320 31.320 31.628 -0.308 19654 15060 1 20 . 1 1 130 130 VAL H H 130 8.858 8.858 8.454 0.404 19654 15061 1 20 . 1 1 131 131 ARG N N 131 115.890 115.890 120.491 -4.601 19654 15062 1 20 . 1 1 131 131 ARG HA H 131 4.284 4.284 4.118 0.166 19654 15063 1 20 . 1 1 131 131 ARG CA C 131 59.255 59.255 58.988 0.267 19654 15064 1 20 . 1 1 131 131 ARG CB C 131 30.009 30.009 30.088 -0.079 19654 15065 1 20 . 1 1 131 131 ARG H H 131 8.619 8.619 8.220 0.399 19654 15066 1 20 . 1 1 132 132 THR N N 132 106.654 106.654 108.578 -1.924 19654 15067 1 20 . 1 1 132 132 THR HA H 132 4.464 4.464 4.386 0.078 19654 15068 1 20 . 1 1 132 132 THR CA C 132 64.081 64.081 63.203 0.878 19654 15069 1 20 . 1 1 132 132 THR CB C 132 69.870 69.870 69.652 0.218 19654 15070 1 20 . 1 1 132 132 THR H H 132 7.530 7.530 7.770 -0.240 19654 15071 1 20 . 1 1 133 133 LYS N N 133 117.426 117.426 120.491 -3.065 19654 15072 1 20 . 1 1 133 133 LYS HA H 133 5.029 5.029 4.859 0.170 19654 15073 1 20 . 1 1 133 133 LYS CA C 133 53.009 53.009 54.910 -1.901 19654 15074 1 20 . 1 1 133 133 LYS CB C 133 31.044 31.044 31.878 -0.834 19654 15075 1 20 . 1 1 133 133 LYS H H 133 7.691 7.691 7.957 -0.266 19654 15076 1 20 . 1 1 134 134 ARG N N 134 120.904 120.904 121.287 -0.383 19654 15077 1 20 . 1 1 134 134 ARG HA H 134 3.679 3.679 3.845 -0.166 19654 15078 1 20 . 1 1 134 134 ARG CA C 134 61.456 61.456 60.892 0.564 19654 15079 1 20 . 1 1 134 134 ARG CB C 134 30.261 30.261 30.062 0.199 19654 15080 1 20 . 1 1 134 134 ARG H H 134 7.341 7.341 7.692 -0.351 19654 15081 1 20 . 1 1 135 135 ASP N N 135 114.262 114.262 117.361 -3.099 19654 15082 1 20 . 1 1 135 135 ASP HA H 135 4.238 4.238 4.313 -0.075 19654 15083 1 20 . 1 1 135 135 ASP CA C 135 57.595 57.595 56.492 1.103 19654 15084 1 20 . 1 1 135 135 ASP CB C 135 39.961 39.961 39.449 0.512 19654 15085 1 20 . 1 1 135 135 ASP H H 135 8.386 8.386 8.666 -0.280 19654 15086 1 20 . 1 1 136 136 TRP N N 136 121.564 121.564 121.330 0.234 19654 15087 1 20 . 1 1 136 136 TRP HA H 136 3.858 3.858 4.327 -0.469 19654 15088 1 20 . 1 1 136 136 TRP CA C 136 62.373 62.373 59.248 3.125 19654 15089 1 20 . 1 1 136 136 TRP CB C 136 28.807 28.807 29.237 -0.430 19654 15090 1 20 . 1 1 136 136 TRP H H 136 7.844 7.844 7.556 0.288 19654 15091 1 20 . 1 1 137 137 LEU N N 137 117.395 117.395 119.362 -1.967 19654 15092 1 20 . 1 1 137 137 LEU HA H 137 3.461 3.461 3.872 -0.411 19654 15093 1 20 . 1 1 137 137 LEU CA C 137 58.325 58.325 58.099 0.226 19654 15094 1 20 . 1 1 137 137 LEU CB C 137 42.979 42.979 41.633 1.346 19654 15095 1 20 . 1 1 137 137 LEU H H 137 8.623 8.623 8.601 0.022 19654 15096 1 20 . 1 1 138 138 VAL N N 138 118.341 118.341 117.824 0.517 19654 15097 1 20 . 1 1 138 138 VAL HA H 138 3.586 3.586 3.665 -0.079 19654 15098 1 20 . 1 1 138 138 VAL CA C 138 66.501 66.501 65.903 0.599 19654 15099 1 20 . 1 1 138 138 VAL CB C 138 31.588 31.588 31.825 -0.236 19654 15100 1 20 . 1 1 138 138 VAL H H 138 8.631 8.631 7.516 1.115 19654 15101 1 20 . 1 1 139 139 LYS N N 139 122.096 122.096 120.773 1.323 19654 15102 1 20 . 1 1 139 139 LYS HA H 139 3.941 3.941 4.085 -0.144 19654 15103 1 20 . 1 1 139 139 LYS CA C 139 58.925 58.925 58.661 0.264 19654 15104 1 20 . 1 1 139 139 LYS CB C 139 31.752 31.752 32.096 -0.344 19654 15105 1 20 . 1 1 139 139 LYS H H 139 7.695 7.695 8.145 -0.450 19654 15106 1 20 . 1 1 140 140 GLN N N 140 115.416 115.416 115.950 -0.534 19654 15107 1 20 . 1 1 140 140 GLN HA H 140 3.970 3.970 4.650 -0.680 19654 15108 1 20 . 1 1 140 140 GLN CA C 140 54.309 54.309 54.291 0.017 19654 15109 1 20 . 1 1 140 140 GLN CB C 140 27.174 27.174 29.102 -1.927 19654 15110 1 20 . 1 1 140 140 GLN H H 140 7.344 7.344 8.117 -0.773 19654 15111 1 20 . 1 1 141 141 ARG N N 141 110.160 110.160 116.428 -6.268 19654 15112 1 20 . 1 1 141 141 ARG HA H 141 3.899 3.899 3.832 0.067 19654 15113 1 20 . 1 1 141 141 ARG CA C 141 57.400 57.400 56.997 0.403 19654 15114 1 20 . 1 1 141 141 ARG CB C 141 25.640 25.640 28.130 -2.490 19654 15115 1 20 . 1 1 141 141 ARG H H 141 7.677 7.677 7.662 0.015 19654 15116 1 20 . 1 1 142 142 GLY N N 142 107.741 107.741 106.814 0.927 19654 15117 1 20 . 1 1 142 142 GLY CA C 142 45.633 45.633 47.112 -1.480 19654 15118 1 20 . 1 1 142 142 GLY H H 142 8.931 8.931 8.532 0.399 19654 15119 1 20 . 1 1 143 143 TRP N N 143 123.871 123.871 123.042 0.829 19654 15120 1 20 . 1 1 143 143 TRP HA H 143 4.273 4.273 4.354 -0.081 19654 15121 1 20 . 1 1 143 143 TRP CA C 143 59.317 59.317 58.882 0.435 19654 15122 1 20 . 1 1 143 143 TRP CB C 143 28.435 28.435 29.416 -0.981 19654 15123 1 20 . 1 1 143 143 TRP H H 143 9.004 9.004 7.628 1.376 19654 15124 1 20 . 1 1 144 144 ASP N N 144 119.481 119.481 119.707 -0.226 19654 15125 1 20 . 1 1 144 144 ASP HA H 144 4.553 4.553 4.432 0.121 19654 15126 1 20 . 1 1 144 144 ASP CA C 144 57.825 57.825 58.614 -0.789 19654 15127 1 20 . 1 1 144 144 ASP CB C 144 40.435 40.435 40.262 0.173 19654 15128 1 20 . 1 1 144 144 ASP H H 144 8.071 8.071 8.537 -0.466 19654 15129 1 20 . 1 1 145 145 GLY N N 145 109.653 109.653 107.342 2.311 19654 15130 1 20 . 1 1 145 145 GLY CA C 145 46.856 46.856 46.536 0.320 19654 15131 1 20 . 1 1 145 145 GLY H H 145 7.493 7.493 7.713 -0.220 19654 15132 1 20 . 1 1 146 146 PHE N N 146 124.053 124.053 123.282 0.771 19654 15133 1 20 . 1 1 146 146 PHE HA H 146 2.455 2.455 3.803 -1.348 19654 15134 1 20 . 1 1 146 146 PHE CA C 146 60.349 60.349 60.937 -0.588 19654 15135 1 20 . 1 1 146 146 PHE CB C 146 38.607 38.607 39.249 -0.642 19654 15136 1 20 . 1 1 146 146 PHE H H 146 7.257 7.257 7.863 -0.606 19654 15137 1 20 . 1 1 147 147 VAL N N 147 116.525 116.525 118.408 -1.883 19654 15138 1 20 . 1 1 147 147 VAL HA H 147 3.298 3.298 3.505 -0.207 19654 15139 1 20 . 1 1 147 147 VAL CA C 147 66.080 66.080 66.661 -0.581 19654 15140 1 20 . 1 1 147 147 VAL CB C 147 31.904 31.904 31.541 0.363 19654 15141 1 20 . 1 1 147 147 VAL H H 147 7.700 7.700 8.135 -0.435 19654 15142 1 20 . 1 1 148 148 GLU N N 148 118.404 118.404 119.074 -0.670 19654 15143 1 20 . 1 1 148 148 GLU HA H 148 3.985 3.985 4.115 -0.130 19654 15144 1 20 . 1 1 148 148 GLU CA C 148 58.933 58.933 58.872 0.061 19654 15145 1 20 . 1 1 148 148 GLU CB C 148 29.535 29.535 29.673 -0.138 19654 15146 1 20 . 1 1 148 148 GLU H H 148 7.801 7.801 7.669 0.132 19654 15147 1 20 . 1 1 149 149 PHE N N 149 120.305 120.305 119.838 0.467 19654 15148 1 20 . 1 1 149 149 PHE HA H 149 3.970 3.970 4.180 -0.210 19654 15149 1 20 . 1 1 149 149 PHE CA C 149 61.341 61.341 60.902 0.439 19654 15150 1 20 . 1 1 149 149 PHE CB C 149 39.011 39.011 39.155 -0.144 19654 15151 1 20 . 1 1 149 149 PHE H H 149 8.358 8.358 8.128 0.230 19654 15152 1 20 . 1 1 150 150 PHE N N 150 112.582 112.582 113.183 -0.601 19654 15153 1 20 . 1 1 150 150 PHE HA H 150 4.255 4.255 4.263 -0.008 19654 15154 1 20 . 1 1 150 150 PHE CA C 150 59.075 59.075 59.489 -0.414 19654 15155 1 20 . 1 1 150 150 PHE CB C 150 39.487 39.487 39.483 0.004 19654 15156 1 20 . 1 1 150 150 PHE H H 150 6.927 6.927 7.602 -0.675 19654 15157 1 20 . 1 1 151 151 HIS N N 151 118.966 118.966 118.044 0.922 19654 15158 1 20 . 1 1 151 151 HIS HA H 151 4.370 4.370 4.418 -0.048 19654 15159 1 20 . 1 1 151 151 HIS CA C 151 56.788 56.788 56.648 0.140 19654 15160 1 20 . 1 1 151 151 HIS CB C 151 28.827 28.827 27.374 1.453 19654 15161 1 20 . 1 1 151 151 HIS H H 151 7.483 7.483 7.791 -0.308 19654 15162 1 20 . 1 1 152 152 VAL N N 152 120.499 120.499 121.410 -0.911 19654 15163 1 20 . 1 1 152 152 VAL HA H 152 3.950 3.950 4.078 -0.128 19654 15164 1 20 . 1 1 152 152 VAL CA C 152 62.110 62.110 64.070 -1.960 19654 15165 1 20 . 1 1 152 152 VAL CB C 152 32.593 32.593 33.345 -0.752 19654 15166 1 20 . 1 1 152 152 VAL H H 152 8.103 8.103 7.800 0.303 19654 15167 1 20 . 1 1 153 153 GLU N N 153 123.580 123.580 119.542 4.038 19654 15168 1 20 . 1 1 153 153 GLU HA H 153 4.162 4.162 4.439 -0.277 19654 15169 1 20 . 1 1 153 153 GLU CA C 153 56.433 56.433 54.894 1.539 19654 15170 1 20 . 1 1 153 153 GLU CB C 153 30.101 30.101 29.350 0.751 19654 15171 1 20 . 1 1 153 153 GLU H H 153 8.446 8.446 8.410 0.036 19654 15172 1 20 . 1 1 154 154 ASP N N 154 120.964 120.964 118.060 2.904 19654 15173 1 20 . 1 1 154 154 ASP HA H 154 4.565 4.565 4.660 -0.095 19654 15174 1 20 . 1 1 154 154 ASP CA C 154 54.106 54.106 53.824 0.282 19654 15175 1 20 . 1 1 154 154 ASP CB C 154 40.836 40.836 42.297 -1.461 19654 15176 1 20 . 1 1 154 154 ASP H H 154 8.325 8.325 8.006 0.319 19654 15177 1 20 . 1 1 155 155 LEU N N 155 122.311 122.311 116.976 5.335 19654 15178 1 20 . 1 1 155 155 LEU HA H 155 4.230 4.230 4.688 -0.458 19654 15179 1 20 . 1 1 155 155 LEU CA C 155 55.340 55.340 56.264 -0.924 19654 15180 1 20 . 1 1 155 155 LEU CB C 155 42.094 42.094 42.048 0.046 19654 15181 1 20 . 1 1 155 155 LEU H H 155 8.210 8.210 8.280 -0.070 19654 15182 1 20 . 1 1 156 156 GLU N N 156 120.023 120.023 119.687 0.336 19654 15183 1 20 . 1 1 156 156 GLU HA H 156 4.218 4.218 4.314 -0.096 19654 15184 1 20 . 1 1 156 156 GLU CA C 156 56.831 56.831 55.881 0.950 19654 15185 1 20 . 1 1 156 156 GLU CB C 156 29.930 29.930 30.285 -0.355 19654 15186 1 20 . 1 1 156 156 GLU H H 156 8.396 8.396 7.794 0.602 19654 15187 1 20 . 1 1 157 157 GLY N N 157 109.371 109.371 111.048 -1.677 19654 15188 1 20 . 1 1 157 157 GLY CA C 157 45.327 45.327 45.986 -0.659 19654 15189 1 20 . 1 1 157 157 GLY H H 157 8.323 8.323 8.121 0.202 19654 15190 1 20 . 1 1 158 158 GLY N N 158 108.074 108.074 109.048 -0.974 19654 15191 1 20 . 1 1 158 158 GLY CA C 158 45.061 45.061 44.460 0.601 19654 15192 1 20 . 1 1 158 158 GLY H H 158 8.226 8.226 8.097 0.129 19654 15193 1 20 . 1 1 159 159 HIS N N 159 117.875 117.875 119.325 -1.450 19654 15194 1 20 . 1 1 159 159 HIS HA H 159 4.551 4.551 4.931 -0.380 19654 15195 1 20 . 1 1 159 159 HIS CA C 159 55.600 55.600 55.916 -0.316 19654 15196 1 20 . 1 1 159 159 HIS CB C 159 29.800 29.800 32.158 -2.358 19654 15197 1 20 . 1 1 159 159 HIS H H 159 8.210 8.210 8.349 -0.139 19654 15198 1 20 . 1 1 161 161 HIS N N 161 125.094 125.094 116.427 8.667 19654 15199 1 20 . 1 1 161 161 HIS HA H 161 4.585 4.585 4.254 0.331 19654 15200 1 20 . 1 1 161 161 HIS H H 161 8.162 8.162 8.303 -0.141 19654 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 155 2.294 0.123 2.298 19654 2 1 1 "Average Difference" HA 172 0.258 0.030 0.257 19654 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19654 4 1 1 "Average Difference" CA 158 0.821 -0.040 0.822 19654 5 1 1 "Average Difference" CB 145 0.840 0.068 0.840 19654 6 1 1 "Average Difference" HN 156 0.431 -0.081 0.425 19654 7 1 2 "Average Difference" N 155 2.471 0.008 2.479 19654 8 1 2 "Average Difference" HA 172 0.253 0.012 0.253 19654 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19654 10 1 2 "Average Difference" CA 158 0.963 0.010 0.966 19654 11 1 2 "Average Difference" CB 145 0.900 0.065 0.901 19654 12 1 2 "Average Difference" HN 156 0.440 -0.077 0.435 19654 13 1 3 "Average Difference" N 155 2.500 -0.033 2.508 19654 14 1 3 "Average Difference" HA 172 0.264 0.031 0.263 19654 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19654 16 1 3 "Average Difference" CA 158 0.954 -0.033 0.956 19654 17 1 3 "Average Difference" CB 145 0.855 0.070 0.855 19654 18 1 3 "Average Difference" HN 156 0.462 -0.082 0.456 19654 19 1 4 "Average Difference" N 155 2.307 0.165 2.308 19654 20 1 4 "Average Difference" HA 172 0.228 0.032 0.227 19654 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19654 22 1 4 "Average Difference" CA 158 0.871 -0.025 0.873 19654 23 1 4 "Average Difference" CB 145 0.778 0.061 0.778 19654 24 1 4 "Average Difference" HN 156 0.393 -0.085 0.384 19654 25 1 5 "Average Difference" N 155 2.356 0.196 2.356 19654 26 1 5 "Average Difference" HA 172 0.258 0.031 0.257 19654 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19654 28 1 5 "Average Difference" CA 158 0.869 -0.070 0.869 19654 29 1 5 "Average Difference" CB 145 0.834 0.095 0.832 19654 30 1 5 "Average Difference" HN 156 0.426 -0.094 0.417 19654 31 1 6 "Average Difference" N 155 2.425 0.089 2.431 19654 32 1 6 "Average Difference" HA 172 0.233 0.032 0.231 19654 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19654 34 1 6 "Average Difference" CA 158 0.829 -0.084 0.828 19654 35 1 6 "Average Difference" CB 145 0.901 0.017 0.904 19654 36 1 6 "Average Difference" HN 156 0.453 -0.135 0.434 19654 37 1 7 "Average Difference" N 155 2.166 0.177 2.166 19654 38 1 7 "Average Difference" HA 172 0.253 0.050 0.248 19654 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19654 40 1 7 "Average Difference" CA 158 0.889 -0.152 0.879 19654 41 1 7 "Average Difference" CB 145 0.838 0.105 0.835 19654 42 1 7 "Average Difference" HN 156 0.424 -0.095 0.415 19654 43 1 8 "Average Difference" N 155 2.295 0.232 2.290 19654 44 1 8 "Average Difference" HA 172 0.257 0.024 0.257 19654 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19654 46 1 8 "Average Difference" CA 158 0.881 -0.050 0.882 19654 47 1 8 "Average Difference" CB 145 0.988 0.047 0.990 19654 48 1 8 "Average Difference" HN 156 0.437 -0.126 0.420 19654 49 1 9 "Average Difference" N 155 2.158 0.236 2.153 19654 50 1 9 "Average Difference" HA 172 0.282 0.022 0.282 19654 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19654 52 1 9 "Average Difference" CA 158 0.911 -0.066 0.912 19654 53 1 9 "Average Difference" CB 145 0.859 0.083 0.858 19654 54 1 9 "Average Difference" HN 156 0.454 -0.059 0.452 19654 55 1 10 "Average Difference" N 155 2.475 0.147 2.479 19654 56 1 10 "Average Difference" HA 172 0.266 0.029 0.265 19654 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19654 58 1 10 "Average Difference" CA 158 0.806 -0.042 0.807 19654 59 1 10 "Average Difference" CB 145 0.851 0.064 0.852 19654 60 1 10 "Average Difference" HN 156 0.463 -0.103 0.453 19654 61 1 11 "Average Difference" N 155 2.425 0.043 2.432 19654 62 1 11 "Average Difference" HA 172 0.259 0.038 0.257 19654 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19654 64 1 11 "Average Difference" CA 158 0.875 -0.027 0.877 19654 65 1 11 "Average Difference" CB 145 0.843 0.090 0.841 19654 66 1 11 "Average Difference" HN 156 0.446 -0.094 0.437 19654 67 1 12 "Average Difference" N 155 2.221 0.043 2.228 19654 68 1 12 "Average Difference" HA 172 0.271 0.026 0.270 19654 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19654 70 1 12 "Average Difference" CA 158 0.909 -0.096 0.907 19654 71 1 12 "Average Difference" CB 145 0.935 0.071 0.935 19654 72 1 12 "Average Difference" HN 156 0.440 -0.092 0.432 19654 73 1 13 "Average Difference" N 155 2.337 0.170 2.338 19654 74 1 13 "Average Difference" HA 172 0.255 0.045 0.251 19654 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 19654 76 1 13 "Average Difference" CA 158 0.850 -0.092 0.848 19654 77 1 13 "Average Difference" CB 145 0.916 0.082 0.915 19654 78 1 13 "Average Difference" HN 156 0.442 -0.088 0.435 19654 79 1 14 "Average Difference" N 155 2.043 0.282 2.030 19654 80 1 14 "Average Difference" HA 172 0.286 0.015 0.287 19654 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 19654 82 1 14 "Average Difference" CA 158 0.837 0.005 0.840 19654 83 1 14 "Average Difference" CB 145 0.940 0.027 0.943 19654 84 1 14 "Average Difference" HN 156 0.464 -0.101 0.454 19654 85 1 15 "Average Difference" N 155 2.222 0.172 2.222 19654 86 1 15 "Average Difference" HA 172 0.263 0.034 0.261 19654 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 19654 88 1 15 "Average Difference" CA 158 0.882 -0.102 0.879 19654 89 1 15 "Average Difference" CB 145 0.858 0.038 0.860 19654 90 1 15 "Average Difference" HN 156 0.440 -0.107 0.428 19654 91 1 16 "Average Difference" N 155 2.246 0.057 2.252 19654 92 1 16 "Average Difference" HA 172 0.265 0.033 0.263 19654 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 19654 94 1 16 "Average Difference" CA 158 0.916 -0.059 0.917 19654 95 1 16 "Average Difference" CB 145 0.885 0.094 0.883 19654 96 1 16 "Average Difference" HN 156 0.450 -0.085 0.443 19654 97 1 17 "Average Difference" N 155 2.308 0.047 2.315 19654 98 1 17 "Average Difference" HA 172 0.279 0.027 0.278 19654 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 19654 100 1 17 "Average Difference" CA 158 0.874 -0.011 0.876 19654 101 1 17 "Average Difference" CB 145 0.930 0.100 0.928 19654 102 1 17 "Average Difference" HN 156 0.465 -0.100 0.455 19654 103 1 18 "Average Difference" N 155 2.417 -0.010 2.425 19654 104 1 18 "Average Difference" HA 172 0.257 0.035 0.256 19654 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 19654 106 1 18 "Average Difference" CA 158 0.946 -0.081 0.946 19654 107 1 18 "Average Difference" CB 145 0.950 0.091 0.949 19654 108 1 18 "Average Difference" HN 156 0.434 -0.094 0.425 19654 109 1 19 "Average Difference" N 155 2.235 0.238 2.230 19654 110 1 19 "Average Difference" HA 172 0.238 0.040 0.235 19654 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 19654 112 1 19 "Average Difference" CA 158 0.873 -0.100 0.870 19654 113 1 19 "Average Difference" CB 145 0.917 0.043 0.920 19654 114 1 19 "Average Difference" HN 156 0.420 -0.097 0.410 19654 115 1 20 "Average Difference" N 155 2.325 0.133 2.329 19654 116 1 20 "Average Difference" HA 172 0.259 0.041 0.257 19654 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 19654 118 1 20 "Average Difference" CA 158 0.890 -0.070 0.890 19654 119 1 20 "Average Difference" CB 145 0.859 0.076 0.859 19654 120 1 20 "Average Difference" HN 156 0.419 -0.120 0.403 19654 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 19654 _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 GLU HA H 2 4.333 4.333 4.407 -0.074 19654 2 1 . 1 1 2 2 GLU CA C 2 56.183 56.183 55.713 0.470 19654 3 1 . 1 1 2 2 GLU CB C 2 30.150 30.150 30.618 -0.468 19654 4 1 . 1 1 3 3 ASP N N 3 122.553 122.553 121.272 1.281 19654 5 1 . 1 1 3 3 ASP HA H 3 4.729 4.729 4.659 0.070 19654 6 1 . 1 1 3 3 ASP CA C 3 53.659 53.659 53.769 -0.110 19654 7 1 . 1 1 3 3 ASP CB C 3 41.319 41.319 42.663 -1.344 19654 8 1 . 1 1 3 3 ASP H H 3 8.437 8.437 8.313 0.124 19654 9 1 . 1 1 4 4 GLU N N 4 125.121 125.121 122.570 2.551 19654 10 1 . 1 1 4 4 GLU HA H 4 4.235 4.235 4.061 0.174 19654 11 1 . 1 1 4 4 GLU CA C 4 58.915 58.915 59.556 -0.641 19654 12 1 . 1 1 4 4 GLU CB C 4 29.274 29.274 29.763 -0.489 19654 13 1 . 1 1 4 4 GLU H H 4 8.726 8.726 8.773 -0.047 19654 14 1 . 1 1 5 5 LEU N N 5 120.976 120.976 120.130 0.846 19654 15 1 . 1 1 5 5 LEU HA H 5 4.517 4.517 4.184 0.333 19654 16 1 . 1 1 5 5 LEU CA C 5 57.939 57.939 57.813 0.126 19654 17 1 . 1 1 5 5 LEU CB C 5 40.917 40.917 41.646 -0.729 19654 18 1 . 1 1 5 5 LEU H H 5 8.381 8.381 8.308 0.073 19654 19 1 . 1 1 6 6 TYR N N 6 123.977 123.977 119.543 4.434 19654 20 1 . 1 1 6 6 TYR HA H 6 3.865 3.865 4.253 -0.388 19654 21 1 . 1 1 6 6 TYR CA C 6 62.721 62.721 61.674 1.047 19654 22 1 . 1 1 6 6 TYR CB C 6 38.475 38.475 38.319 0.157 19654 23 1 . 1 1 6 6 TYR H H 6 8.342 8.342 7.916 0.426 19654 24 1 . 1 1 7 7 ARG N N 7 118.301 118.301 118.372 -0.071 19654 25 1 . 1 1 7 7 ARG HA H 7 3.828 3.828 3.992 -0.164 19654 26 1 . 1 1 7 7 ARG CA C 7 59.619 59.619 58.715 0.904 19654 27 1 . 1 1 7 7 ARG CB C 7 29.720 29.720 29.409 0.311 19654 28 1 . 1 1 7 7 ARG H H 7 8.452 8.452 8.290 0.162 19654 29 1 . 1 1 8 8 GLN N N 8 119.421 119.421 119.782 -0.361 19654 30 1 . 1 1 8 8 GLN HA H 8 3.944 3.944 4.021 -0.077 19654 31 1 . 1 1 8 8 GLN CA C 8 58.827 58.827 59.228 -0.401 19654 32 1 . 1 1 8 8 GLN CB C 8 28.918 28.918 28.639 0.279 19654 33 1 . 1 1 8 8 GLN H H 8 8.894 8.894 8.403 0.491 19654 34 1 . 1 1 9 9 SER N N 9 113.384 113.384 116.452 -3.068 19654 35 1 . 1 1 9 9 SER HA H 9 4.007 4.007 3.931 0.076 19654 36 1 . 1 1 9 9 SER CA C 9 62.117 62.117 61.854 0.263 19654 37 1 . 1 1 9 9 SER CB C 9 63.544 63.544 63.210 0.334 19654 38 1 . 1 1 9 9 SER H H 9 8.018 8.018 8.133 -0.115 19654 39 1 . 1 1 10 10 LEU N N 10 121.112 121.112 124.003 -2.891 19654 40 1 . 1 1 10 10 LEU HA H 10 4.130 4.130 4.089 0.041 19654 41 1 . 1 1 10 10 LEU CA C 10 57.022 57.022 57.564 -0.542 19654 42 1 . 1 1 10 10 LEU CB C 10 41.146 41.146 41.520 -0.374 19654 43 1 . 1 1 10 10 LEU H H 10 8.599 8.599 8.280 0.319 19654 44 1 . 1 1 11 11 GLU N N 11 120.653 120.653 119.806 0.847 19654 45 1 . 1 1 11 11 GLU HA H 11 3.914 3.914 3.953 -0.039 19654 46 1 . 1 1 11 11 GLU CA C 11 59.627 59.627 59.411 0.216 19654 47 1 . 1 1 11 11 GLU CB C 11 29.298 29.298 29.325 -0.027 19654 48 1 . 1 1 11 11 GLU H H 11 7.806 7.806 7.952 -0.146 19654 49 1 . 1 1 12 12 ILE N N 12 117.297 117.297 119.725 -2.428 19654 50 1 . 1 1 12 12 ILE HA H 12 3.121 3.121 3.542 -0.421 19654 51 1 . 1 1 12 12 ILE CA C 12 65.774 65.774 65.546 0.228 19654 52 1 . 1 1 12 12 ILE CB C 12 39.143 39.143 37.659 1.484 19654 53 1 . 1 1 12 12 ILE H H 12 7.401 7.401 7.625 -0.224 19654 54 1 . 1 1 13 13 ILE N N 13 117.560 117.560 119.137 -1.577 19654 55 1 . 1 1 13 13 ILE HA H 13 3.302 3.302 3.518 -0.216 19654 56 1 . 1 1 13 13 ILE CA C 13 66.420 66.420 65.732 0.688 19654 57 1 . 1 1 13 13 ILE CB C 13 37.714 37.714 37.535 0.179 19654 58 1 . 1 1 13 13 ILE H H 13 8.378 8.378 8.101 0.277 19654 59 1 . 1 1 14 14 SER N N 14 113.892 113.892 116.029 -2.137 19654 60 1 . 1 1 14 14 SER HA H 14 3.889 3.889 4.000 -0.111 19654 61 1 . 1 1 14 14 SER CA C 14 62.310 62.310 61.975 0.335 19654 62 1 . 1 1 14 14 SER CB C 14 62.282 62.282 63.041 -0.759 19654 63 1 . 1 1 14 14 SER H H 14 9.048 9.048 8.364 0.684 19654 64 1 . 1 1 15 15 ARG N N 15 118.890 118.890 120.916 -2.026 19654 65 1 . 1 1 15 15 ARG HA H 15 4.033 4.033 3.969 0.064 19654 66 1 . 1 1 15 15 ARG CA C 15 59.496 59.496 59.498 -0.003 19654 67 1 . 1 1 15 15 ARG CB C 15 29.727 29.727 30.071 -0.344 19654 68 1 . 1 1 15 15 ARG H H 15 7.655 7.655 7.806 -0.151 19654 69 1 . 1 1 16 16 TYR N N 16 119.757 119.757 121.566 -1.809 19654 70 1 . 1 1 16 16 TYR HA H 16 4.146 4.146 4.163 -0.017 19654 71 1 . 1 1 16 16 TYR CA C 16 61.265 61.265 61.460 -0.195 19654 72 1 . 1 1 16 16 TYR CB C 16 38.495 38.495 38.218 0.277 19654 73 1 . 1 1 16 16 TYR H H 16 8.351 8.351 8.064 0.287 19654 74 1 . 1 1 17 17 LEU N N 17 118.494 118.494 119.270 -0.776 19654 75 1 . 1 1 17 17 LEU HA H 17 3.375 3.375 3.743 -0.368 19654 76 1 . 1 1 17 17 LEU CA C 17 59.627 59.627 58.468 1.159 19654 77 1 . 1 1 17 17 LEU CB C 17 39.949 39.949 41.158 -1.209 19654 78 1 . 1 1 17 17 LEU H H 17 8.578 8.578 8.513 0.065 19654 79 1 . 1 1 18 18 ARG N N 18 115.962 115.962 118.797 -2.835 19654 80 1 . 1 1 18 18 ARG HA H 18 3.858 3.858 3.927 -0.069 19654 81 1 . 1 1 18 18 ARG CA C 18 60.233 60.233 58.848 1.385 19654 82 1 . 1 1 18 18 ARG CB C 18 29.993 29.993 29.529 0.464 19654 83 1 . 1 1 18 18 ARG H H 18 8.044 8.044 7.967 0.077 19654 84 1 . 1 1 19 19 GLU N N 19 120.998 120.998 119.709 1.289 19654 85 1 . 1 1 19 19 GLU HA H 19 4.153 4.153 4.113 0.040 19654 86 1 . 1 1 19 19 GLU CA C 19 58.857 58.857 58.998 -0.141 19654 87 1 . 1 1 19 19 GLU CB C 19 29.661 29.661 29.000 0.661 19654 88 1 . 1 1 19 19 GLU H H 19 8.268 8.268 8.514 -0.247 19654 89 1 . 1 1 20 20 GLN N N 20 119.903 119.903 118.117 1.786 19654 90 1 . 1 1 20 20 GLN HA H 20 3.715 3.715 4.013 -0.298 19654 91 1 . 1 1 20 20 GLN CA C 20 58.008 58.008 57.698 0.310 19654 92 1 . 1 1 20 20 GLN CB C 20 28.666 28.666 28.062 0.604 19654 93 1 . 1 1 20 20 GLN H H 20 8.193 8.193 8.031 0.162 19654 94 1 . 1 1 21 21 ALA N N 21 117.771 117.771 120.717 -2.946 19654 95 1 . 1 1 21 21 ALA HA H 21 3.985 3.985 4.108 -0.123 19654 96 1 . 1 1 21 21 ALA CA C 21 54.397 54.397 54.570 -0.173 19654 97 1 . 1 1 21 21 ALA CB C 21 20.022 20.022 18.940 1.082 19654 98 1 . 1 1 21 21 ALA H H 21 7.883 7.883 7.774 0.109 19654 99 1 . 1 1 22 22 THR N N 22 103.721 103.721 108.909 -5.188 19654 100 1 . 1 1 22 22 THR HA H 22 4.279 4.279 4.213 0.066 19654 101 1 . 1 1 22 22 THR CA C 22 62.357 62.357 62.958 -0.601 19654 102 1 . 1 1 22 22 THR CB C 22 71.071 71.071 70.295 0.776 19654 103 1 . 1 1 22 22 THR H H 22 8.024 8.024 7.943 0.081 19654 104 1 . 1 1 23 23 GLY N N 23 111.610 111.610 110.968 0.642 19654 105 1 . 1 1 23 23 GLY CA C 23 45.574 45.574 45.221 0.353 19654 106 1 . 1 1 23 23 GLY H H 23 8.155 8.155 7.970 0.185 19654 107 1 . 1 1 24 24 ALA N N 24 123.004 123.004 122.330 0.674 19654 108 1 . 1 1 24 24 ALA HA H 24 4.526 4.526 4.694 -0.168 19654 109 1 . 1 1 24 24 ALA CA C 24 50.763 50.763 51.265 -0.502 19654 110 1 . 1 1 24 24 ALA CB C 24 20.186 20.186 21.067 -0.881 19654 111 1 . 1 1 24 24 ALA H H 24 7.763 7.763 7.730 0.033 19654 112 1 . 1 1 25 25 LYS N N 25 121.392 121.392 120.665 0.727 19654 113 1 . 1 1 25 25 LYS HA H 25 4.181 4.181 4.564 -0.383 19654 114 1 . 1 1 25 25 LYS CA C 25 55.729 55.729 55.441 0.288 19654 115 1 . 1 1 25 25 LYS CB C 25 33.175 33.175 33.572 -0.397 19654 116 1 . 1 1 25 25 LYS H H 25 8.349 8.349 8.238 0.111 19654 117 1 . 1 1 26 26 ASP N N 26 124.433 124.433 121.811 2.622 19654 118 1 . 1 1 26 26 ASP HA H 26 4.618 4.618 4.663 -0.045 19654 119 1 . 1 1 26 26 ASP CA C 26 53.735 53.735 54.025 -0.290 19654 120 1 . 1 1 26 26 ASP CB C 26 41.402 41.402 42.132 -0.730 19654 121 1 . 1 1 26 26 ASP H H 26 8.803 8.803 8.570 0.233 19654 122 1 . 1 1 27 27 THR N N 27 116.332 116.332 114.488 1.844 19654 123 1 . 1 1 27 27 THR HA H 27 4.249 4.249 4.401 -0.152 19654 124 1 . 1 1 27 27 THR CA C 27 61.268 61.268 61.582 -0.314 19654 125 1 . 1 1 27 27 THR CB C 27 68.993 68.993 69.078 -0.084 19654 126 1 . 1 1 27 27 THR H H 27 8.363 8.363 8.245 0.118 19654 127 1 . 1 1 28 28 LYS N N 28 125.551 125.551 123.195 2.356 19654 128 1 . 1 1 28 28 LYS HA H 28 4.437 4.437 4.576 -0.139 19654 129 1 . 1 1 28 28 LYS CA C 28 55.188 55.188 54.499 0.689 19654 130 1 . 1 1 28 28 LYS CB C 28 31.409 31.409 32.438 -1.029 19654 131 1 . 1 1 28 28 LYS H H 28 8.346 8.346 8.006 0.340 19654 132 1 . 1 1 29 29 PRO HA H 29 4.392 4.392 4.363 0.029 19654 133 1 . 1 1 29 29 PRO CA C 29 63.164 63.164 63.412 -0.248 19654 134 1 . 1 1 29 29 PRO CB C 29 31.904 31.904 31.957 -0.053 19654 135 1 . 1 1 30 30 MET N N 30 121.136 121.136 121.536 -0.400 19654 136 1 . 1 1 30 30 MET HA H 30 4.381 4.381 4.450 -0.069 19654 137 1 . 1 1 30 30 MET CA C 30 55.229 55.229 55.045 0.184 19654 138 1 . 1 1 30 30 MET CB C 30 33.819 33.819 33.424 0.396 19654 139 1 . 1 1 30 30 MET H H 30 8.585 8.585 8.296 0.289 19654 140 1 . 1 1 31 31 GLY N N 31 109.849 109.849 108.656 1.193 19654 141 1 . 1 1 31 31 GLY CA C 31 44.983 44.983 45.277 -0.293 19654 142 1 . 1 1 31 31 GLY H H 31 8.930 8.930 8.298 0.632 19654 143 1 . 1 1 32 32 ARG N N 32 121.001 121.001 120.667 0.334 19654 144 1 . 1 1 32 32 ARG HA H 32 4.239 4.239 4.224 0.015 19654 145 1 . 1 1 32 32 ARG CA C 32 56.755 56.755 57.398 -0.643 19654 146 1 . 1 1 32 32 ARG CB C 32 30.110 30.110 30.614 -0.504 19654 147 1 . 1 1 32 32 ARG H H 32 8.447 8.447 8.529 -0.082 19654 148 1 . 1 1 33 33 SER N N 33 119.991 119.991 114.416 5.575 19654 149 1 . 1 1 33 33 SER HA H 33 4.386 4.386 4.483 -0.097 19654 150 1 . 1 1 33 33 SER CA C 33 58.502 58.502 58.375 0.127 19654 151 1 . 1 1 33 33 SER CB C 33 62.609 62.609 63.808 -1.199 19654 152 1 . 1 1 33 33 SER H H 33 8.667 8.667 8.073 0.594 19654 153 1 . 1 1 34 34 GLY N N 34 108.582 108.582 110.730 -2.148 19654 154 1 . 1 1 34 34 GLY CA C 34 46.637 46.637 46.152 0.485 19654 155 1 . 1 1 34 34 GLY H H 34 8.216 8.216 8.260 -0.044 19654 156 1 . 1 1 35 35 ALA N N 35 123.445 123.445 125.559 -2.114 19654 157 1 . 1 1 35 35 ALA HA H 35 4.193 4.193 4.023 0.170 19654 158 1 . 1 1 35 35 ALA CA C 35 54.770 54.770 55.227 -0.457 19654 159 1 . 1 1 35 35 ALA CB C 35 18.437 18.437 18.389 0.048 19654 160 1 . 1 1 35 35 ALA H H 35 8.506 8.506 8.409 0.097 19654 161 1 . 1 1 36 36 THR N N 36 115.716 115.716 114.730 0.986 19654 162 1 . 1 1 36 36 THR HA H 36 3.919 3.919 3.955 -0.036 19654 163 1 . 1 1 36 36 THR CA C 36 67.249 67.249 66.801 0.448 19654 164 1 . 1 1 36 36 THR CB C 36 68.225 68.225 68.569 -0.344 19654 165 1 . 1 1 36 36 THR H H 36 8.262 8.262 8.190 0.072 19654 166 1 . 1 1 37 37 SER N N 37 117.911 117.911 117.133 0.778 19654 167 1 . 1 1 37 37 SER HA H 37 3.869 3.869 4.027 -0.158 19654 168 1 . 1 1 37 37 SER CA C 37 62.333 62.333 61.437 0.896 19654 169 1 . 1 1 37 37 SER CB C 37 62.333 62.333 62.782 -0.449 19654 170 1 . 1 1 37 37 SER H H 37 8.389 8.389 7.977 0.412 19654 171 1 . 1 1 38 38 ARG N N 38 120.924 120.924 122.456 -1.532 19654 172 1 . 1 1 38 38 ARG HA H 38 3.901 3.901 4.020 -0.119 19654 173 1 . 1 1 38 38 ARG CA C 38 59.923 59.923 59.071 0.852 19654 174 1 . 1 1 38 38 ARG CB C 38 29.759 29.759 30.084 -0.325 19654 175 1 . 1 1 38 38 ARG H H 38 8.278 8.278 7.965 0.313 19654 176 1 . 1 1 39 39 LYS N N 39 119.172 119.172 119.134 0.038 19654 177 1 . 1 1 39 39 LYS HA H 39 4.151 4.151 4.127 0.024 19654 178 1 . 1 1 39 39 LYS CA C 39 59.086 59.086 59.446 -0.360 19654 179 1 . 1 1 39 39 LYS CB C 39 32.807 32.807 32.084 0.723 19654 180 1 . 1 1 39 39 LYS H H 39 7.930 7.930 8.301 -0.371 19654 181 1 . 1 1 40 40 ALA N N 40 125.586 125.586 123.151 2.435 19654 182 1 . 1 1 40 40 ALA HA H 40 4.175 4.175 4.275 -0.100 19654 183 1 . 1 1 40 40 ALA CA C 40 55.633 55.633 55.111 0.522 19654 184 1 . 1 1 40 40 ALA CB C 40 18.675 18.675 18.431 0.244 19654 185 1 . 1 1 40 40 ALA H H 40 9.192 9.192 8.021 1.171 19654 186 1 . 1 1 41 41 LEU N N 41 120.080 120.080 120.152 -0.072 19654 187 1 . 1 1 41 41 LEU HA H 41 3.930 3.930 3.885 0.045 19654 188 1 . 1 1 41 41 LEU CA C 41 58.169 58.169 58.042 0.127 19654 189 1 . 1 1 41 41 LEU CB C 41 41.683 41.683 41.757 -0.074 19654 190 1 . 1 1 41 41 LEU H H 41 8.209 8.209 7.865 0.344 19654 191 1 . 1 1 42 42 GLU N N 42 117.875 117.875 117.086 0.789 19654 192 1 . 1 1 42 42 GLU HA H 42 3.977 3.977 4.030 -0.053 19654 193 1 . 1 1 42 42 GLU CA C 42 59.335 59.335 59.266 0.069 19654 194 1 . 1 1 42 42 GLU CB C 42 29.176 29.176 29.047 0.130 19654 195 1 . 1 1 42 42 GLU H H 42 8.197 8.197 8.438 -0.241 19654 196 1 . 1 1 43 43 THR N N 43 116.912 116.912 117.786 -0.874 19654 197 1 . 1 1 43 43 THR HA H 43 3.793 3.793 4.043 -0.250 19654 198 1 . 1 1 43 43 THR CA C 43 67.517 67.517 66.808 0.709 19654 199 1 . 1 1 43 43 THR CB C 43 68.089 68.089 68.573 -0.484 19654 200 1 . 1 1 43 43 THR H H 43 8.183 8.183 7.947 0.236 19654 201 1 . 1 1 44 44 LEU N N 44 123.099 123.099 121.308 1.791 19654 202 1 . 1 1 44 44 LEU HA H 44 3.699 3.699 3.898 -0.199 19654 203 1 . 1 1 44 44 LEU CA C 44 58.261 58.261 58.147 0.114 19654 204 1 . 1 1 44 44 LEU CB C 44 40.988 40.988 41.211 -0.223 19654 205 1 . 1 1 44 44 LEU H H 44 8.509 8.509 8.522 -0.013 19654 206 1 . 1 1 45 45 ARG N N 45 116.885 116.885 117.582 -0.697 19654 207 1 . 1 1 45 45 ARG HA H 45 4.125 4.125 4.341 -0.216 19654 208 1 . 1 1 45 45 ARG CA C 45 59.617 59.617 59.123 0.494 19654 209 1 . 1 1 45 45 ARG CB C 45 30.423 30.423 29.869 0.554 19654 210 1 . 1 1 45 45 ARG H H 45 8.398 8.398 7.907 0.491 19654 211 1 . 1 1 46 46 ARG N N 46 117.297 117.297 120.283 -2.986 19654 212 1 . 1 1 46 46 ARG HA H 46 4.229 4.229 4.139 0.090 19654 213 1 . 1 1 46 46 ARG CA C 46 58.427 58.427 59.011 -0.584 19654 214 1 . 1 1 46 46 ARG CB C 46 30.408 30.408 30.233 0.175 19654 215 1 . 1 1 46 46 ARG H H 46 7.421 7.421 7.885 -0.463 19654 216 1 . 1 1 47 47 VAL N N 47 114.304 114.304 113.559 0.745 19654 217 1 . 1 1 47 47 VAL HA H 47 4.094 4.094 4.218 -0.124 19654 218 1 . 1 1 47 47 VAL CA C 47 63.242 63.242 64.296 -1.053 19654 219 1 . 1 1 47 47 VAL CB C 47 32.378 32.378 31.797 0.581 19654 220 1 . 1 1 47 47 VAL H H 47 8.515 8.515 8.067 0.448 19654 221 1 . 1 1 48 48 GLY N N 48 110.132 110.132 109.285 0.847 19654 222 1 . 1 1 48 48 GLY CA C 48 46.588 46.588 47.468 -0.880 19654 223 1 . 1 1 48 48 GLY H H 48 8.890 8.890 8.408 0.483 19654 224 1 . 1 1 49 49 ASP N N 49 121.292 121.292 122.567 -1.275 19654 225 1 . 1 1 49 49 ASP HA H 49 4.456 4.456 4.448 0.008 19654 226 1 . 1 1 49 49 ASP CA C 49 57.787 57.787 57.919 -0.132 19654 227 1 . 1 1 49 49 ASP CB C 49 40.912 40.912 40.742 0.170 19654 228 1 . 1 1 49 49 ASP H H 49 7.392 7.392 8.065 -0.673 19654 229 1 . 1 1 50 50 GLY N N 50 106.682 106.682 107.850 -1.168 19654 230 1 . 1 1 50 50 GLY CA C 50 46.932 46.932 47.214 -0.282 19654 231 1 . 1 1 50 50 GLY H H 50 8.132 8.132 8.024 0.108 19654 232 1 . 1 1 51 51 VAL N N 51 121.747 121.747 122.819 -1.072 19654 233 1 . 1 1 51 51 VAL HA H 51 3.944 3.944 3.712 0.232 19654 234 1 . 1 1 51 51 VAL CA C 51 66.355 66.355 66.376 -0.021 19654 235 1 . 1 1 51 51 VAL CB C 51 31.594 31.594 31.416 0.178 19654 236 1 . 1 1 51 51 VAL H H 51 7.476 7.476 7.924 -0.448 19654 237 1 . 1 1 52 52 GLN N N 52 118.494 118.494 118.757 -0.263 19654 238 1 . 1 1 52 52 GLN HA H 52 3.913 3.913 4.063 -0.150 19654 239 1 . 1 1 52 52 GLN CA C 52 60.391 60.391 59.393 0.998 19654 240 1 . 1 1 52 52 GLN CB C 52 29.682 29.682 28.694 0.988 19654 241 1 . 1 1 52 52 GLN H H 52 8.439 8.439 8.491 -0.052 19654 242 1 . 1 1 53 53 ARG N N 53 116.807 116.807 118.712 -1.905 19654 243 1 . 1 1 53 53 ARG HA H 53 4.163 4.163 4.098 0.065 19654 244 1 . 1 1 53 53 ARG CA C 53 59.086 59.086 58.903 0.183 19654 245 1 . 1 1 53 53 ARG CB C 53 30.009 30.009 29.911 0.098 19654 246 1 . 1 1 53 53 ARG H H 53 7.873 7.873 8.129 -0.256 19654 247 1 . 1 1 54 54 ASN N N 54 116.356 116.356 116.101 0.255 19654 248 1 . 1 1 54 54 ASN HA H 54 4.448 4.448 4.569 -0.121 19654 249 1 . 1 1 54 54 ASN CA C 54 54.694 54.694 55.388 -0.694 19654 250 1 . 1 1 54 54 ASN CB C 54 38.302 38.302 38.473 -0.171 19654 251 1 . 1 1 54 54 ASN H H 54 8.123 8.123 7.946 0.177 19654 252 1 . 1 1 55 55 HIS N N 55 114.809 114.809 118.097 -3.288 19654 253 1 . 1 1 55 55 HIS HA H 55 4.504 4.504 4.253 0.251 19654 254 1 . 1 1 55 55 HIS CA C 55 55.949 55.949 57.922 -1.974 19654 255 1 . 1 1 55 55 HIS CB C 55 28.341 28.341 30.082 -1.741 19654 256 1 . 1 1 55 55 HIS H H 55 7.558 7.558 8.310 -0.752 19654 257 1 . 1 1 56 56 GLU N N 56 121.943 121.943 120.812 1.131 19654 258 1 . 1 1 56 56 GLU HA H 56 3.640 3.640 3.648 -0.008 19654 259 1 . 1 1 56 56 GLU CA C 56 61.360 61.360 60.128 1.232 19654 260 1 . 1 1 56 56 GLU CB C 56 30.006 30.006 29.303 0.703 19654 261 1 . 1 1 56 56 GLU H H 56 7.071 7.071 8.245 -1.174 19654 262 1 . 1 1 57 57 THR N N 57 112.827 112.827 113.529 -0.702 19654 263 1 . 1 1 57 57 THR HA H 57 3.984 3.984 4.073 -0.089 19654 264 1 . 1 1 57 57 THR CA C 57 66.247 66.247 65.420 0.828 19654 265 1 . 1 1 57 57 THR CB C 57 68.002 68.002 68.570 -0.568 19654 266 1 . 1 1 57 57 THR H H 57 8.324 8.324 8.213 0.111 19654 267 1 . 1 1 58 58 ALA N N 58 126.520 126.520 123.661 2.859 19654 268 1 . 1 1 58 58 ALA HA H 58 4.147 4.147 4.123 0.024 19654 269 1 . 1 1 58 58 ALA CA C 58 54.707 54.707 54.484 0.223 19654 270 1 . 1 1 58 58 ALA CB C 58 17.734 17.734 18.090 -0.356 19654 271 1 . 1 1 58 58 ALA H H 58 7.910 7.910 7.337 0.573 19654 272 1 . 1 1 59 59 PHE N N 59 119.326 119.326 118.157 1.169 19654 273 1 . 1 1 59 59 PHE HA H 59 4.518 4.518 4.185 0.333 19654 274 1 . 1 1 59 59 PHE CA C 59 56.946 56.946 59.145 -2.199 19654 275 1 . 1 1 59 59 PHE CB C 59 34.583 34.583 37.780 -3.197 19654 276 1 . 1 1 59 59 PHE H H 59 9.017 9.017 8.102 0.915 19654 277 1 . 1 1 60 60 GLN N N 60 119.670 119.670 118.422 1.248 19654 278 1 . 1 1 60 60 GLN HA H 60 4.232 4.232 4.173 0.059 19654 279 1 . 1 1 60 60 GLN CA C 60 59.359 59.359 59.407 -0.048 19654 280 1 . 1 1 60 60 GLN CB C 60 28.009 28.009 27.919 0.090 19654 281 1 . 1 1 60 60 GLN H H 60 8.678 8.678 8.748 -0.070 19654 282 1 . 1 1 61 61 GLY N N 61 106.140 106.140 105.940 0.200 19654 283 1 . 1 1 61 61 GLY CA C 61 47.085 47.085 46.872 0.213 19654 284 1 . 1 1 61 61 GLY H H 61 7.975 7.975 7.973 0.002 19654 285 1 . 1 1 62 62 MET N N 62 120.973 120.973 119.736 1.237 19654 286 1 . 1 1 62 62 MET HA H 62 4.080 4.080 4.402 -0.322 19654 287 1 . 1 1 62 62 MET CA C 62 58.752 58.752 57.977 0.774 19654 288 1 . 1 1 62 62 MET CB C 62 33.824 33.824 33.056 0.768 19654 289 1 . 1 1 62 62 MET H H 62 8.007 8.007 7.632 0.374 19654 290 1 . 1 1 63 63 LEU N N 63 119.043 119.043 120.952 -1.909 19654 291 1 . 1 1 63 63 LEU HA H 63 4.139 4.139 4.024 0.115 19654 292 1 . 1 1 63 63 LEU CA C 63 57.645 57.645 58.309 -0.664 19654 293 1 . 1 1 63 63 LEU CB C 63 42.173 42.173 41.257 0.916 19654 294 1 . 1 1 63 63 LEU H H 63 8.394 8.394 8.752 -0.358 19654 295 1 . 1 1 64 64 ARG N N 64 117.294 117.294 117.792 -0.498 19654 296 1 . 1 1 64 64 ARG HA H 64 4.090 4.090 4.085 0.005 19654 297 1 . 1 1 64 64 ARG CA C 64 58.551 58.551 58.633 -0.082 19654 298 1 . 1 1 64 64 ARG CB C 64 29.772 29.772 30.064 -0.292 19654 299 1 . 1 1 64 64 ARG H H 64 7.912 7.912 8.132 -0.220 19654 300 1 . 1 1 65 65 LYS N N 65 116.840 116.840 117.306 -0.466 19654 301 1 . 1 1 65 65 LYS HA H 65 4.165 4.165 4.391 -0.226 19654 302 1 . 1 1 65 65 LYS CA C 65 57.175 57.175 57.021 0.154 19654 303 1 . 1 1 65 65 LYS CB C 65 32.299 32.299 32.675 -0.376 19654 304 1 . 1 1 65 65 LYS H H 65 7.506 7.506 7.800 -0.294 19654 305 1 . 1 1 66 66 LEU N N 66 119.257 119.257 120.347 -1.090 19654 306 1 . 1 1 66 66 LEU HA H 66 4.232 4.232 4.344 -0.112 19654 307 1 . 1 1 66 66 LEU CA C 66 55.442 55.442 56.063 -0.621 19654 308 1 . 1 1 66 66 LEU CB C 66 43.042 43.042 42.832 0.210 19654 309 1 . 1 1 66 66 LEU H H 66 7.736 7.736 7.674 0.062 19654 310 1 . 1 1 67 67 ASP N N 67 119.743 119.743 117.394 2.349 19654 311 1 . 1 1 67 67 ASP HA H 67 4.457 4.457 4.344 0.113 19654 312 1 . 1 1 67 67 ASP CA C 67 53.850 53.850 55.456 -1.606 19654 313 1 . 1 1 67 67 ASP CB C 67 40.195 40.195 40.542 -0.347 19654 314 1 . 1 1 67 67 ASP H H 67 8.068 8.068 8.075 -0.007 19654 315 1 . 1 1 68 68 ILE N N 68 120.055 120.055 120.507 -0.452 19654 316 1 . 1 1 68 68 ILE HA H 68 3.870 3.870 3.981 -0.111 19654 317 1 . 1 1 68 68 ILE CA C 68 61.524 61.524 61.612 -0.088 19654 318 1 . 1 1 68 68 ILE CB C 68 37.986 37.986 36.968 1.018 19654 319 1 . 1 1 68 68 ILE H H 68 8.275 8.275 8.448 -0.173 19654 320 1 . 1 1 69 69 LYS N N 69 126.186 126.186 126.000 0.186 19654 321 1 . 1 1 69 69 LYS HA H 69 4.481 4.481 4.423 0.058 19654 322 1 . 1 1 69 69 LYS CA C 69 56.304 56.304 55.929 0.375 19654 323 1 . 1 1 69 69 LYS CB C 69 34.136 34.136 33.441 0.695 19654 324 1 . 1 1 69 69 LYS H H 69 9.722 9.722 8.902 0.820 19654 325 1 . 1 1 70 70 ASN N N 70 115.056 115.056 115.891 -0.835 19654 326 1 . 1 1 70 70 ASN HA H 70 4.700 4.700 4.789 -0.089 19654 327 1 . 1 1 70 70 ASN CA C 70 51.977 51.977 52.128 -0.151 19654 328 1 . 1 1 70 70 ASN CB C 70 39.474 39.474 39.790 -0.316 19654 329 1 . 1 1 70 70 ASN H H 70 7.959 7.959 8.203 -0.244 19654 330 1 . 1 1 71 71 GLU N N 71 118.214 118.214 119.768 -1.554 19654 331 1 . 1 1 71 71 GLU HA H 71 3.967 3.967 3.912 0.055 19654 332 1 . 1 1 71 71 GLU CA C 71 59.354 59.354 59.888 -0.534 19654 333 1 . 1 1 71 71 GLU CB C 71 29.520 29.520 29.612 -0.092 19654 334 1 . 1 1 71 71 GLU H H 71 8.831 8.831 8.903 -0.072 19654 335 1 . 1 1 72 72 ASP N N 72 120.319 120.319 118.247 2.072 19654 336 1 . 1 1 72 72 ASP HA H 72 4.422 4.422 4.347 0.075 19654 337 1 . 1 1 72 72 ASP CA C 72 57.036 57.036 57.489 -0.453 19654 338 1 . 1 1 72 72 ASP CB C 72 39.945 39.945 40.552 -0.607 19654 339 1 . 1 1 72 72 ASP H H 72 8.167 8.167 8.294 -0.127 19654 340 1 . 1 1 73 73 ASP N N 73 119.793 119.793 119.444 0.349 19654 341 1 . 1 1 73 73 ASP HA H 73 4.521 4.521 4.424 0.097 19654 342 1 . 1 1 73 73 ASP CA C 73 56.337 56.337 57.358 -1.021 19654 343 1 . 1 1 73 73 ASP CB C 73 41.927 41.927 40.572 1.355 19654 344 1 . 1 1 73 73 ASP H H 73 8.153 8.153 7.864 0.289 19654 345 1 . 1 1 74 74 VAL N N 74 117.572 117.572 120.513 -2.941 19654 346 1 . 1 1 74 74 VAL HA H 74 3.714 3.714 3.628 0.086 19654 347 1 . 1 1 74 74 VAL CA C 74 65.498 65.498 66.395 -0.897 19654 348 1 . 1 1 74 74 VAL CB C 74 31.077 31.077 31.517 -0.440 19654 349 1 . 1 1 74 74 VAL H H 74 7.629 7.629 7.381 0.248 19654 350 1 . 1 1 75 75 LYS N N 75 119.403 119.403 118.973 0.430 19654 351 1 . 1 1 75 75 LYS HA H 75 4.154 4.154 4.034 0.120 19654 352 1 . 1 1 75 75 LYS CA C 75 59.034 59.034 59.357 -0.323 19654 353 1 . 1 1 75 75 LYS CB C 75 31.909 31.909 32.041 -0.132 19654 354 1 . 1 1 75 75 LYS H H 75 7.961 7.961 8.117 -0.156 19654 355 1 . 1 1 76 76 SER N N 76 114.355 114.355 115.968 -1.613 19654 356 1 . 1 1 76 76 SER HA H 76 4.453 4.453 4.260 0.193 19654 357 1 . 1 1 76 76 SER CA C 76 60.061 60.061 61.286 -1.225 19654 358 1 . 1 1 76 76 SER CB C 76 63.023 63.023 63.010 0.013 19654 359 1 . 1 1 76 76 SER H H 76 7.919 7.919 7.853 0.066 19654 360 1 . 1 1 77 77 LEU N N 77 121.954 121.954 121.883 0.071 19654 361 1 . 1 1 77 77 LEU HA H 77 4.230 4.230 4.015 0.215 19654 362 1 . 1 1 77 77 LEU CA C 77 56.764 56.764 57.715 -0.951 19654 363 1 . 1 1 77 77 LEU CB C 77 41.695 41.695 41.498 0.197 19654 364 1 . 1 1 77 77 LEU H H 77 7.883 7.883 8.196 -0.313 19654 365 1 . 1 1 78 78 SER N N 78 115.268 115.268 114.128 1.140 19654 366 1 . 1 1 78 78 SER HA H 78 3.962 3.962 4.059 -0.097 19654 367 1 . 1 1 78 78 SER CA C 78 62.337 62.337 61.877 0.460 19654 368 1 . 1 1 78 78 SER CB C 78 62.218 62.218 62.966 -0.748 19654 369 1 . 1 1 78 78 SER H H 78 8.185 8.185 7.957 0.228 19654 370 1 . 1 1 79 79 ARG N N 79 119.021 119.021 120.103 -1.082 19654 371 1 . 1 1 79 79 ARG HA H 79 4.090 4.090 4.078 0.012 19654 372 1 . 1 1 79 79 ARG CA C 79 58.849 58.849 58.575 0.274 19654 373 1 . 1 1 79 79 ARG CB C 79 29.930 29.930 29.617 0.313 19654 374 1 . 1 1 79 79 ARG H H 79 7.684 7.684 7.647 0.037 19654 375 1 . 1 1 80 80 VAL N N 80 116.979 116.979 120.709 -3.730 19654 376 1 . 1 1 80 80 VAL HA H 80 3.953 3.953 3.810 0.143 19654 377 1 . 1 1 80 80 VAL CA C 80 64.228 64.228 66.089 -1.861 19654 378 1 . 1 1 80 80 VAL CB C 80 32.210 32.210 31.617 0.593 19654 379 1 . 1 1 80 80 VAL H H 80 7.479 7.479 7.483 -0.004 19654 380 1 . 1 1 81 81 MET N N 81 117.822 117.822 118.484 -0.662 19654 381 1 . 1 1 81 81 MET HA H 81 4.053 4.053 4.097 -0.044 19654 382 1 . 1 1 81 81 MET CA C 81 58.322 58.322 57.528 0.794 19654 383 1 . 1 1 81 81 MET CB C 81 32.555 32.555 31.381 1.174 19654 384 1 . 1 1 81 81 MET H H 81 8.104 8.104 8.219 -0.115 19654 385 1 . 1 1 82 82 ILE N N 82 116.348 116.348 118.331 -1.983 19654 386 1 . 1 1 82 82 ILE HA H 82 3.815 3.815 3.774 0.041 19654 387 1 . 1 1 82 82 ILE CA C 82 63.653 63.653 64.942 -1.289 19654 388 1 . 1 1 82 82 ILE CB C 82 37.879 37.879 37.397 0.482 19654 389 1 . 1 1 82 82 ILE H H 82 7.789 7.789 7.972 -0.183 19654 390 1 . 1 1 83 83 HIS N N 83 118.994 118.994 117.960 1.034 19654 391 1 . 1 1 83 83 HIS HA H 83 4.409 4.409 4.440 -0.031 19654 392 1 . 1 1 83 83 HIS CA C 83 58.245 58.245 58.887 -0.642 19654 393 1 . 1 1 83 83 HIS CB C 83 29.735 29.735 29.456 0.279 19654 394 1 . 1 1 83 83 HIS H H 83 7.543 7.543 7.465 0.078 19654 395 1 . 1 1 84 84 VAL N N 84 117.112 117.112 119.854 -2.742 19654 396 1 . 1 1 84 84 VAL HA H 84 3.631 3.631 3.664 -0.033 19654 397 1 . 1 1 84 84 VAL CA C 84 64.628 64.628 65.855 -1.227 19654 398 1 . 1 1 84 84 VAL CB C 84 31.904 31.904 31.247 0.657 19654 399 1 . 1 1 84 84 VAL H H 84 7.713 7.713 7.791 -0.078 19654 400 1 . 1 1 85 85 PHE N N 85 115.531 115.531 115.570 -0.039 19654 401 1 . 1 1 85 85 PHE HA H 85 4.733 4.733 4.598 0.135 19654 402 1 . 1 1 85 85 PHE CA C 85 57.326 57.326 57.187 0.139 19654 403 1 . 1 1 85 85 PHE CB C 85 39.507 39.507 37.587 1.920 19654 404 1 . 1 1 85 85 PHE H H 85 7.743 7.743 7.498 0.245 19654 405 1 . 1 1 86 86 SER N N 86 114.812 114.812 116.185 -1.373 19654 406 1 . 1 1 86 86 SER HA H 86 4.275 4.275 4.325 -0.050 19654 407 1 . 1 1 86 86 SER CA C 86 59.832 59.832 59.963 -0.131 19654 408 1 . 1 1 86 86 SER CB C 86 63.482 63.482 63.291 0.191 19654 409 1 . 1 1 86 86 SER H H 86 7.634 7.634 7.790 -0.156 19654 410 1 . 1 1 87 87 ASP N N 87 120.986 120.986 121.233 -0.247 19654 411 1 . 1 1 87 87 ASP HA H 87 4.491 4.491 4.581 -0.090 19654 412 1 . 1 1 87 87 ASP CA C 87 54.032 54.032 55.023 -0.991 19654 413 1 . 1 1 87 87 ASP CB C 87 40.411 40.411 41.317 -0.905 19654 414 1 . 1 1 87 87 ASP H H 87 8.043 8.043 7.919 0.124 19654 415 1 . 1 1 88 88 GLY N N 88 108.171 108.171 108.982 -0.811 19654 416 1 . 1 1 88 88 GLY CA C 88 44.981 44.981 45.027 -0.046 19654 417 1 . 1 1 88 88 GLY H H 88 8.163 8.163 8.332 -0.169 19654 418 1 . 1 1 89 89 VAL N N 89 121.716 121.716 118.863 2.853 19654 419 1 . 1 1 89 89 VAL HA H 89 3.879 3.879 4.149 -0.270 19654 420 1 . 1 1 89 89 VAL CA C 89 62.471 62.471 60.978 1.493 19654 421 1 . 1 1 89 89 VAL CB C 89 32.418 32.418 32.911 -0.493 19654 422 1 . 1 1 89 89 VAL H H 89 7.886 7.886 7.547 0.339 19654 423 1 . 1 1 90 90 THR N N 90 121.669 121.669 116.363 5.306 19654 424 1 . 1 1 90 90 THR HA H 90 3.657 3.657 3.864 -0.207 19654 425 1 . 1 1 90 90 THR CA C 90 62.473 62.473 62.482 -0.009 19654 426 1 . 1 1 90 90 THR CB C 90 68.528 68.528 67.973 0.555 19654 427 1 . 1 1 90 90 THR H H 90 8.201 8.201 8.233 -0.032 19654 428 1 . 1 1 91 91 ASN HA H 91 4.162 4.162 4.352 -0.190 19654 429 1 . 1 1 91 91 ASN CA C 91 51.748 51.748 52.526 -0.778 19654 430 1 . 1 1 91 91 ASN CB C 91 39.645 39.645 38.928 0.717 19654 431 1 . 1 1 91 91 ASN H H 91 8.826 8.826 7.812 1.014 19654 432 1 . 1 1 92 92 TRP N N 92 118.437 118.437 121.859 -3.422 19654 433 1 . 1 1 92 92 TRP HA H 92 4.739 4.739 4.401 0.338 19654 434 1 . 1 1 92 92 TRP CA C 92 60.233 60.233 58.821 1.412 19654 435 1 . 1 1 92 92 TRP CB C 92 30.167 30.167 28.733 1.434 19654 436 1 . 1 1 92 92 TRP H H 92 8.942 8.942 8.007 0.935 19654 437 1 . 1 1 93 93 GLY N N 93 108.154 108.154 108.421 -0.267 19654 438 1 . 1 1 93 93 GLY CA C 93 47.544 47.544 47.009 0.535 19654 439 1 . 1 1 93 93 GLY H H 93 8.697 8.697 8.557 0.140 19654 440 1 . 1 1 94 94 ARG N N 94 122.547 122.547 120.679 1.868 19654 441 1 . 1 1 94 94 ARG HA H 94 4.072 4.072 4.134 -0.062 19654 442 1 . 1 1 94 94 ARG CA C 94 58.556 58.556 58.537 0.019 19654 443 1 . 1 1 94 94 ARG CB C 94 30.201 30.201 29.653 0.548 19654 444 1 . 1 1 94 94 ARG H H 94 8.353 8.353 7.887 0.466 19654 445 1 . 1 1 95 95 ILE N N 95 120.130 120.130 120.164 -0.034 19654 446 1 . 1 1 95 95 ILE HA H 95 3.708 3.708 4.034 -0.326 19654 447 1 . 1 1 95 95 ILE CA C 95 65.511 65.511 63.737 1.773 19654 448 1 . 1 1 95 95 ILE CB C 95 37.486 37.486 36.870 0.616 19654 449 1 . 1 1 95 95 ILE H H 95 7.545 7.545 7.701 -0.156 19654 450 1 . 1 1 96 96 VAL N N 96 119.403 119.403 120.454 -1.050 19654 451 1 . 1 1 96 96 VAL HA H 96 3.723 3.723 3.661 0.062 19654 452 1 . 1 1 96 96 VAL CA C 96 67.249 67.249 67.371 -0.122 19654 453 1 . 1 1 96 96 VAL CB C 96 31.001 31.001 31.146 -0.145 19654 454 1 . 1 1 96 96 VAL H H 96 8.990 8.990 8.098 0.892 19654 455 1 . 1 1 97 97 THR N N 97 122.016 122.016 117.089 4.927 19654 456 1 . 1 1 97 97 THR HA H 97 3.784 3.784 4.020 -0.236 19654 457 1 . 1 1 97 97 THR CA C 97 68.159 68.159 66.929 1.229 19654 458 1 . 1 1 97 97 THR CB C 97 67.212 67.212 68.654 -1.442 19654 459 1 . 1 1 97 97 THR H H 97 8.605 8.605 8.074 0.531 19654 460 1 . 1 1 98 98 LEU N N 98 122.476 122.476 123.628 -1.152 19654 461 1 . 1 1 98 98 LEU HA H 98 3.805 3.805 4.066 -0.261 19654 462 1 . 1 1 98 98 LEU CA C 98 58.818 58.818 58.293 0.525 19654 463 1 . 1 1 98 98 LEU CB C 98 41.158 41.158 41.824 -0.666 19654 464 1 . 1 1 98 98 LEU H H 98 7.769 7.769 7.966 -0.197 19654 465 1 . 1 1 99 99 ILE N N 99 117.997 117.997 117.973 0.024 19654 466 1 . 1 1 99 99 ILE HA H 99 3.509 3.509 3.672 -0.163 19654 467 1 . 1 1 99 99 ILE CA C 99 66.261 66.261 65.603 0.658 19654 468 1 . 1 1 99 99 ILE CB C 99 38.350 38.350 37.459 0.891 19654 469 1 . 1 1 99 99 ILE H H 99 8.175 8.175 8.115 0.060 19654 470 1 . 1 1 100 100 SER N N 100 116.934 116.934 117.121 -0.187 19654 471 1 . 1 1 100 100 SER HA H 100 4.447 4.447 4.434 0.013 19654 472 1 . 1 1 100 100 SER CA C 100 63.290 63.290 62.209 1.081 19654 473 1 . 1 1 100 100 SER CB C 100 62.867 62.867 63.153 -0.286 19654 474 1 . 1 1 100 100 SER H H 100 8.989 8.989 8.640 0.349 19654 475 1 . 1 1 101 101 PHE N N 101 124.640 124.640 123.318 1.322 19654 476 1 . 1 1 101 101 PHE HA H 101 3.420 3.420 3.909 -0.489 19654 477 1 . 1 1 101 101 PHE CA C 101 60.499 60.499 59.713 0.785 19654 478 1 . 1 1 101 101 PHE CB C 101 37.333 37.333 38.410 -1.077 19654 479 1 . 1 1 101 101 PHE H H 101 8.513 8.513 8.416 0.097 19654 480 1 . 1 1 102 102 GLY N N 102 106.116 106.116 107.025 -0.909 19654 481 1 . 1 1 102 102 GLY CA C 102 48.166 48.166 47.019 1.147 19654 482 1 . 1 1 102 102 GLY H H 102 8.111 8.111 8.233 -0.122 19654 483 1 . 1 1 103 103 ALA N N 103 124.560 124.560 124.576 -0.016 19654 484 1 . 1 1 103 103 ALA HA H 103 3.780 3.780 3.945 -0.165 19654 485 1 . 1 1 103 103 ALA CA C 103 55.646 55.646 54.649 0.997 19654 486 1 . 1 1 103 103 ALA CB C 103 18.476 18.476 18.504 -0.028 19654 487 1 . 1 1 103 103 ALA H H 103 8.437 8.437 8.178 0.259 19654 488 1 . 1 1 104 104 PHE N N 104 120.981 120.981 120.176 0.805 19654 489 1 . 1 1 104 104 PHE HA H 104 3.989 3.989 4.188 -0.199 19654 490 1 . 1 1 104 104 PHE CA C 104 62.258 62.258 61.423 0.835 19654 491 1 . 1 1 104 104 PHE CB C 104 39.949 39.949 39.430 0.519 19654 492 1 . 1 1 104 104 PHE H H 104 8.213 8.213 8.187 0.026 19654 493 1 . 1 1 105 105 VAL N N 105 120.473 120.473 119.189 1.284 19654 494 1 . 1 1 105 105 VAL HA H 105 3.236 3.236 3.417 -0.181 19654 495 1 . 1 1 105 105 VAL CA C 105 66.348 66.348 66.465 -0.117 19654 496 1 . 1 1 105 105 VAL CB C 105 30.720 30.720 30.961 -0.241 19654 497 1 . 1 1 105 105 VAL H H 105 8.513 8.513 8.158 0.355 19654 498 1 . 1 1 106 106 ALA N N 106 123.948 123.948 123.137 0.811 19654 499 1 . 1 1 106 106 ALA HA H 106 3.660 3.660 3.807 -0.147 19654 500 1 . 1 1 106 106 ALA CA C 106 55.607 55.607 55.540 0.067 19654 501 1 . 1 1 106 106 ALA CB C 106 18.003 18.003 18.077 -0.074 19654 502 1 . 1 1 106 106 ALA H H 106 8.807 8.807 8.154 0.653 19654 503 1 . 1 1 107 107 LYS N N 107 115.836 115.836 118.003 -2.167 19654 504 1 . 1 1 107 107 LYS HA H 107 3.733 3.733 3.836 -0.103 19654 505 1 . 1 1 107 107 LYS CA C 107 60.462 60.462 59.646 0.816 19654 506 1 . 1 1 107 107 LYS CB C 107 31.907 31.907 32.009 -0.102 19654 507 1 . 1 1 107 107 LYS H H 107 7.934 7.934 7.799 0.135 19654 508 1 . 1 1 108 108 HIS N N 108 120.459 120.459 119.520 0.939 19654 509 1 . 1 1 108 108 HIS HA H 108 4.212 4.212 4.266 -0.055 19654 510 1 . 1 1 108 108 HIS CA C 108 59.623 59.623 59.290 0.333 19654 511 1 . 1 1 108 108 HIS CB C 108 29.838 29.838 29.645 0.193 19654 512 1 . 1 1 108 108 HIS H H 108 7.254 7.254 7.383 -0.129 19654 513 1 . 1 1 109 109 LEU N N 109 118.336 118.336 120.450 -2.114 19654 514 1 . 1 1 109 109 LEU HA H 109 3.640 3.640 3.807 -0.167 19654 515 1 . 1 1 109 109 LEU CA C 109 56.945 56.945 57.972 -1.027 19654 516 1 . 1 1 109 109 LEU CB C 109 39.709 39.709 41.662 -1.953 19654 517 1 . 1 1 109 109 LEU H H 109 8.709 8.709 8.445 0.264 19654 518 1 . 1 1 110 110 LYS N N 110 118.036 118.036 118.945 -0.909 19654 519 1 . 1 1 110 110 LYS HA H 110 3.944 3.944 3.940 0.004 19654 520 1 . 1 1 110 110 LYS CA C 110 58.967 58.967 59.542 -0.575 19654 521 1 . 1 1 110 110 LYS CB C 110 32.220 32.220 32.185 0.035 19654 522 1 . 1 1 110 110 LYS H H 110 7.752 7.752 8.190 -0.438 19654 523 1 . 1 1 111 111 THR N N 111 115.985 115.985 116.034 -0.049 19654 524 1 . 1 1 111 111 THR HA H 111 3.990 3.990 4.009 -0.019 19654 525 1 . 1 1 111 111 THR CA C 111 65.921 65.921 65.966 -0.045 19654 526 1 . 1 1 111 111 THR CB C 111 68.611 68.611 68.829 -0.218 19654 527 1 . 1 1 111 111 THR H H 111 7.832 7.832 7.726 0.105 19654 528 1 . 1 1 112 112 ILE N N 112 112.606 112.606 114.623 -2.017 19654 529 1 . 1 1 112 112 ILE HA H 112 4.454 4.454 4.309 0.145 19654 530 1 . 1 1 112 112 ILE CA C 112 60.922 60.922 60.736 0.186 19654 531 1 . 1 1 112 112 ILE CB C 112 36.813 36.813 37.219 -0.406 19654 532 1 . 1 1 112 112 ILE H H 112 7.262 7.262 7.396 -0.134 19654 533 1 . 1 1 113 113 ASN N N 113 116.297 116.297 115.594 0.703 19654 534 1 . 1 1 113 113 ASN HA H 113 4.576 4.576 4.391 0.185 19654 535 1 . 1 1 113 113 ASN CA C 113 54.653 54.653 54.903 -0.250 19654 536 1 . 1 1 113 113 ASN CB C 113 36.497 36.497 36.972 -0.475 19654 537 1 . 1 1 113 113 ASN H H 113 7.816 7.816 7.848 -0.032 19654 538 1 . 1 1 114 114 GLN N N 114 117.958 117.958 117.340 0.618 19654 539 1 . 1 1 114 114 GLN HA H 114 4.739 4.739 4.422 0.317 19654 540 1 . 1 1 114 114 GLN CA C 114 54.079 54.079 54.791 -0.712 19654 541 1 . 1 1 114 114 GLN CB C 114 28.840 28.840 27.429 1.411 19654 542 1 . 1 1 114 114 GLN H H 114 8.522 8.522 8.317 0.205 19654 543 1 . 1 1 115 115 GLU N N 115 120.597 120.597 121.430 -0.834 19654 544 1 . 1 1 115 115 GLU HA H 115 3.646 3.646 3.935 -0.290 19654 545 1 . 1 1 115 115 GLU CA C 115 59.569 59.569 59.790 -0.221 19654 546 1 . 1 1 115 115 GLU CB C 115 29.061 29.061 29.228 -0.167 19654 547 1 . 1 1 115 115 GLU H H 115 8.881 8.881 8.188 0.693 19654 548 1 . 1 1 116 116 SER N N 116 115.352 115.352 114.014 1.338 19654 549 1 . 1 1 116 116 SER HA H 116 4.250 4.250 4.209 0.041 19654 550 1 . 1 1 116 116 SER CA C 116 60.593 60.593 61.037 -0.444 19654 551 1 . 1 1 116 116 SER CB C 116 62.231 62.231 62.833 -0.602 19654 552 1 . 1 1 116 116 SER H H 116 8.702 8.702 8.572 0.130 19654 553 1 . 1 1 117 117 SER N N 117 116.944 116.944 117.826 -0.882 19654 554 1 . 1 1 117 117 SER HA H 117 4.461 4.461 4.254 0.207 19654 555 1 . 1 1 117 117 SER CA C 117 60.219 60.219 60.844 -0.625 19654 556 1 . 1 1 117 117 SER CB C 117 64.116 64.116 63.061 1.055 19654 557 1 . 1 1 117 117 SER H H 117 7.963 7.963 7.755 0.208 19654 558 1 . 1 1 118 118 ILE N N 118 122.505 122.505 121.738 0.767 19654 559 1 . 1 1 118 118 ILE HA H 118 3.419 3.419 3.563 -0.144 19654 560 1 . 1 1 118 118 ILE CA C 118 66.227 66.227 65.410 0.817 19654 561 1 . 1 1 118 118 ILE CB C 118 36.723 36.723 37.556 -0.833 19654 562 1 . 1 1 118 118 ILE H H 118 7.945 7.945 7.594 0.351 19654 563 1 . 1 1 119 119 GLU N N 119 119.604 119.604 119.519 0.085 19654 564 1 . 1 1 119 119 GLU HA H 119 4.244 4.244 4.154 0.090 19654 565 1 . 1 1 119 119 GLU CA C 119 61.540 61.540 61.210 0.330 19654 566 1 . 1 1 119 119 GLU CB C 119 26.092 26.092 27.740 -1.648 19654 567 1 . 1 1 119 119 GLU H H 119 8.244 8.244 7.947 0.297 19654 568 1 . 1 1 120 120 PRO HA H 120 4.446 4.446 4.478 -0.032 19654 569 1 . 1 1 120 120 PRO CA C 120 65.583 65.583 65.369 0.215 19654 570 1 . 1 1 120 120 PRO CB C 120 30.167 30.167 31.480 -1.313 19654 571 1 . 1 1 121 121 LEU N N 121 120.974 120.974 120.216 0.758 19654 572 1 . 1 1 121 121 LEU HA H 121 3.990 3.990 4.054 -0.065 19654 573 1 . 1 1 121 121 LEU CA C 121 58.436 58.436 57.647 0.789 19654 574 1 . 1 1 121 121 LEU CB C 121 40.988 40.988 41.694 -0.706 19654 575 1 . 1 1 121 121 LEU H H 121 7.587 7.587 7.948 -0.361 19654 576 1 . 1 1 122 122 ALA N N 122 121.982 121.982 121.185 0.797 19654 577 1 . 1 1 122 122 ALA HA H 122 3.743 3.743 3.890 -0.147 19654 578 1 . 1 1 122 122 ALA CA C 122 55.233 55.233 55.267 -0.034 19654 579 1 . 1 1 122 122 ALA CB C 122 17.687 17.687 17.951 -0.265 19654 580 1 . 1 1 122 122 ALA H H 122 8.593 8.593 8.220 0.373 19654 581 1 . 1 1 123 123 GLU N N 123 120.516 120.516 118.416 2.100 19654 582 1 . 1 1 123 123 GLU HA H 123 3.862 3.862 3.941 -0.079 19654 583 1 . 1 1 123 123 GLU CA C 123 59.995 59.995 59.428 0.567 19654 584 1 . 1 1 123 123 GLU CB C 123 29.298 29.298 29.557 -0.259 19654 585 1 . 1 1 123 123 GLU H H 123 8.568 8.568 8.249 0.319 19654 586 1 . 1 1 124 124 SER N N 124 116.054 116.054 116.144 -0.090 19654 587 1 . 1 1 124 124 SER HA H 124 4.367 4.367 4.235 0.132 19654 588 1 . 1 1 124 124 SER CA C 124 62.240 62.240 62.325 -0.085 19654 589 1 . 1 1 124 124 SER CB C 124 63.074 63.074 62.873 0.201 19654 590 1 . 1 1 124 124 SER H H 124 8.282 8.282 8.014 0.268 19654 591 1 . 1 1 125 125 ILE N N 125 120.575 120.575 122.147 -1.572 19654 592 1 . 1 1 125 125 ILE HA H 125 3.627 3.627 3.795 -0.168 19654 593 1 . 1 1 125 125 ILE CA C 125 64.655 64.655 64.467 0.188 19654 594 1 . 1 1 125 125 ILE CB C 125 37.413 37.413 36.827 0.586 19654 595 1 . 1 1 125 125 ILE H H 125 8.343 8.343 8.375 -0.032 19654 596 1 . 1 1 126 126 THR N N 126 116.459 116.459 115.799 0.660 19654 597 1 . 1 1 126 126 THR HA H 126 3.482 3.482 3.983 -0.501 19654 598 1 . 1 1 126 126 THR CA C 126 68.679 68.679 67.246 1.433 19654 599 1 . 1 1 126 126 THR CB C 126 67.075 67.075 68.021 -0.946 19654 600 1 . 1 1 126 126 THR H H 126 8.056 8.056 8.073 -0.017 19654 601 1 . 1 1 127 127 ASP N N 127 120.236 120.236 122.321 -2.085 19654 602 1 . 1 1 127 127 ASP HA H 127 4.481 4.481 4.633 -0.152 19654 603 1 . 1 1 127 127 ASP CA C 127 58.322 58.322 57.794 0.528 19654 604 1 . 1 1 127 127 ASP CB C 127 41.822 41.822 41.024 0.798 19654 605 1 . 1 1 127 127 ASP H H 127 8.813 8.813 8.324 0.489 19654 606 1 . 1 1 128 128 VAL N N 128 116.904 116.904 119.587 -2.683 19654 607 1 . 1 1 128 128 VAL HA H 128 3.677 3.677 3.748 -0.071 19654 608 1 . 1 1 128 128 VAL CA C 128 66.346 66.346 66.309 0.037 19654 609 1 . 1 1 128 128 VAL CB C 128 31.351 31.351 31.581 -0.230 19654 610 1 . 1 1 128 128 VAL H H 128 7.949 7.949 8.033 -0.084 19654 611 1 . 1 1 129 129 LEU N N 129 121.043 121.043 121.372 -0.329 19654 612 1 . 1 1 129 129 LEU HA H 129 3.819 3.819 3.974 -0.155 19654 613 1 . 1 1 129 129 LEU CA C 129 58.742 58.742 58.337 0.405 19654 614 1 . 1 1 129 129 LEU CB C 129 42.370 42.370 41.924 0.446 19654 615 1 . 1 1 129 129 LEU H H 129 8.198 8.198 7.895 0.303 19654 616 1 . 1 1 130 130 VAL N N 130 114.370 114.370 117.505 -3.135 19654 617 1 . 1 1 130 130 VAL HA H 130 3.525 3.525 3.709 -0.184 19654 618 1 . 1 1 130 130 VAL CA C 130 66.004 66.004 65.900 0.103 19654 619 1 . 1 1 130 130 VAL CB C 130 31.320 31.320 31.433 -0.113 19654 620 1 . 1 1 130 130 VAL H H 130 8.858 8.858 8.380 0.478 19654 621 1 . 1 1 131 131 ARG N N 131 115.890 115.890 119.900 -4.010 19654 622 1 . 1 1 131 131 ARG HA H 131 4.284 4.284 4.112 0.172 19654 623 1 . 1 1 131 131 ARG CA C 131 59.255 59.255 58.989 0.266 19654 624 1 . 1 1 131 131 ARG CB C 131 30.009 30.009 30.152 -0.143 19654 625 1 . 1 1 131 131 ARG H H 131 8.619 8.619 8.240 0.379 19654 626 1 . 1 1 132 132 THR N N 132 106.654 106.654 109.478 -2.824 19654 627 1 . 1 1 132 132 THR HA H 132 4.464 4.464 4.409 0.055 19654 628 1 . 1 1 132 132 THR CA C 132 64.081 64.081 63.041 1.040 19654 629 1 . 1 1 132 132 THR CB C 132 69.870 69.870 69.900 -0.030 19654 630 1 . 1 1 132 132 THR H H 132 7.530 7.530 7.749 -0.219 19654 631 1 . 1 1 133 133 LYS N N 133 117.426 117.426 120.610 -3.184 19654 632 1 . 1 1 133 133 LYS HA H 133 5.029 5.029 4.799 0.230 19654 633 1 . 1 1 133 133 LYS CA C 133 53.009 53.009 54.815 -1.806 19654 634 1 . 1 1 133 133 LYS CB C 133 31.044 31.044 32.191 -1.147 19654 635 1 . 1 1 133 133 LYS H H 133 7.691 7.691 7.840 -0.149 19654 636 1 . 1 1 134 134 ARG N N 134 120.904 120.904 121.552 -0.648 19654 637 1 . 1 1 134 134 ARG HA H 134 3.679 3.679 3.882 -0.203 19654 638 1 . 1 1 134 134 ARG CA C 134 61.456 61.456 60.505 0.951 19654 639 1 . 1 1 134 134 ARG CB C 134 30.261 30.261 29.902 0.359 19654 640 1 . 1 1 134 134 ARG H H 134 7.341 7.341 7.754 -0.413 19654 641 1 . 1 1 135 135 ASP N N 135 114.262 114.262 118.261 -3.999 19654 642 1 . 1 1 135 135 ASP HA H 135 4.238 4.238 4.332 -0.094 19654 643 1 . 1 1 135 135 ASP CA C 135 57.595 57.595 57.480 0.115 19654 644 1 . 1 1 135 135 ASP CB C 135 39.961 39.961 39.802 0.159 19654 645 1 . 1 1 135 135 ASP H H 135 8.386 8.386 8.746 -0.360 19654 646 1 . 1 1 136 136 TRP N N 136 121.564 121.564 119.967 1.597 19654 647 1 . 1 1 136 136 TRP HA H 136 3.858 3.858 4.358 -0.500 19654 648 1 . 1 1 136 136 TRP CA C 136 62.373 62.373 59.770 2.603 19654 649 1 . 1 1 136 136 TRP CB C 136 28.807 28.807 29.306 -0.499 19654 650 1 . 1 1 136 136 TRP H H 136 7.844 7.844 7.753 0.091 19654 651 1 . 1 1 137 137 LEU N N 137 117.395 117.395 119.454 -2.059 19654 652 1 . 1 1 137 137 LEU HA H 137 3.461 3.461 3.875 -0.414 19654 653 1 . 1 1 137 137 LEU CA C 137 58.325 58.325 58.145 0.180 19654 654 1 . 1 1 137 137 LEU CB C 137 42.979 42.979 41.540 1.439 19654 655 1 . 1 1 137 137 LEU H H 137 8.623 8.623 8.401 0.222 19654 656 1 . 1 1 138 138 VAL N N 138 118.341 118.341 117.805 0.536 19654 657 1 . 1 1 138 138 VAL HA H 138 3.586 3.586 3.771 -0.185 19654 658 1 . 1 1 138 138 VAL CA C 138 66.501 66.501 65.424 1.078 19654 659 1 . 1 1 138 138 VAL CB C 138 31.588 31.588 31.951 -0.363 19654 660 1 . 1 1 138 138 VAL H H 138 8.631 8.631 7.666 0.965 19654 661 1 . 1 1 139 139 LYS N N 139 122.096 122.096 119.643 2.453 19654 662 1 . 1 1 139 139 LYS HA H 139 3.941 3.941 4.100 -0.159 19654 663 1 . 1 1 139 139 LYS CA C 139 58.925 58.925 58.597 0.328 19654 664 1 . 1 1 139 139 LYS CB C 139 31.752 31.752 32.242 -0.490 19654 665 1 . 1 1 139 139 LYS H H 139 7.695 7.695 8.307 -0.612 19654 666 1 . 1 1 140 140 GLN N N 140 115.416 115.416 115.932 -0.516 19654 667 1 . 1 1 140 140 GLN HA H 140 3.970 3.970 4.530 -0.560 19654 668 1 . 1 1 140 140 GLN CA C 140 54.309 54.309 54.568 -0.259 19654 669 1 . 1 1 140 140 GLN CB C 140 27.174 27.174 29.606 -2.432 19654 670 1 . 1 1 140 140 GLN H H 140 7.344 7.344 8.042 -0.698 19654 671 1 . 1 1 141 141 ARG N N 141 110.160 110.160 116.295 -6.135 19654 672 1 . 1 1 141 141 ARG HA H 141 3.899 3.899 3.972 -0.073 19654 673 1 . 1 1 141 141 ARG CA C 141 57.400 57.400 56.551 0.849 19654 674 1 . 1 1 141 141 ARG CB C 141 25.640 25.640 27.644 -2.004 19654 675 1 . 1 1 141 141 ARG H H 141 7.677 7.677 7.557 0.120 19654 676 1 . 1 1 142 142 GLY N N 142 107.741 107.741 107.880 -0.139 19654 677 1 . 1 1 142 142 GLY CA C 142 45.633 45.633 46.711 -1.078 19654 678 1 . 1 1 142 142 GLY H H 142 8.931 8.931 8.536 0.395 19654 679 1 . 1 1 143 143 TRP N N 143 123.871 123.871 121.131 2.740 19654 680 1 . 1 1 143 143 TRP HA H 143 4.273 4.273 4.368 -0.095 19654 681 1 . 1 1 143 143 TRP CA C 143 59.317 59.317 58.810 0.507 19654 682 1 . 1 1 143 143 TRP CB C 143 28.435 28.435 29.298 -0.863 19654 683 1 . 1 1 143 143 TRP H H 143 9.004 9.004 7.668 1.336 19654 684 1 . 1 1 144 144 ASP N N 144 119.481 119.481 119.570 -0.090 19654 685 1 . 1 1 144 144 ASP HA H 144 4.553 4.553 4.463 0.090 19654 686 1 . 1 1 144 144 ASP CA C 144 57.825 57.825 57.953 -0.128 19654 687 1 . 1 1 144 144 ASP CB C 144 40.435 40.435 40.516 -0.081 19654 688 1 . 1 1 144 144 ASP H H 144 8.071 8.071 8.071 0.000 19654 689 1 . 1 1 145 145 GLY N N 145 109.653 109.653 107.976 1.677 19654 690 1 . 1 1 145 145 GLY CA C 145 46.856 46.856 46.844 0.012 19654 691 1 . 1 1 145 145 GLY H H 145 7.493 7.493 8.279 -0.786 19654 692 1 . 1 1 146 146 PHE N N 146 124.053 124.053 122.514 1.538 19654 693 1 . 1 1 146 146 PHE HA H 146 2.455 2.455 3.905 -1.450 19654 694 1 . 1 1 146 146 PHE CA C 146 60.349 60.349 60.695 -0.346 19654 695 1 . 1 1 146 146 PHE CB C 146 38.607 38.607 39.201 -0.595 19654 696 1 . 1 1 146 146 PHE H H 146 7.257 7.257 8.006 -0.749 19654 697 1 . 1 1 147 147 VAL N N 147 116.525 116.525 118.004 -1.479 19654 698 1 . 1 1 147 147 VAL HA H 147 3.298 3.298 3.501 -0.203 19654 699 1 . 1 1 147 147 VAL CA C 147 66.080 66.080 66.031 0.049 19654 700 1 . 1 1 147 147 VAL CB C 147 31.904 31.904 31.302 0.602 19654 701 1 . 1 1 147 147 VAL H H 147 7.700 7.700 7.693 0.007 19654 702 1 . 1 1 148 148 GLU N N 148 118.404 118.404 119.567 -1.163 19654 703 1 . 1 1 148 148 GLU HA H 148 3.985 3.985 4.115 -0.130 19654 704 1 . 1 1 148 148 GLU CA C 148 58.933 58.933 58.847 0.086 19654 705 1 . 1 1 148 148 GLU CB C 148 29.535 29.535 29.202 0.333 19654 706 1 . 1 1 148 148 GLU H H 148 7.801 7.801 7.845 -0.044 19654 707 1 . 1 1 149 149 PHE N N 149 120.305 120.305 121.051 -0.746 19654 708 1 . 1 1 149 149 PHE HA H 149 3.970 3.970 4.075 -0.104 19654 709 1 . 1 1 149 149 PHE CA C 149 61.341 61.341 61.030 0.311 19654 710 1 . 1 1 149 149 PHE CB C 149 39.011 39.011 39.307 -0.296 19654 711 1 . 1 1 149 149 PHE H H 149 8.358 8.358 8.058 0.300 19654 712 1 . 1 1 150 150 PHE N N 150 112.582 112.582 113.364 -0.782 19654 713 1 . 1 1 150 150 PHE HA H 150 4.255 4.255 4.269 -0.014 19654 714 1 . 1 1 150 150 PHE CA C 150 59.075 59.075 58.986 0.089 19654 715 1 . 1 1 150 150 PHE CB C 150 39.487 39.487 39.262 0.225 19654 716 1 . 1 1 150 150 PHE H H 150 6.927 6.927 7.513 -0.586 19654 717 1 . 1 1 151 151 HIS N N 151 118.966 118.966 116.396 2.570 19654 718 1 . 1 1 151 151 HIS HA H 151 4.370 4.370 4.345 0.025 19654 719 1 . 1 1 151 151 HIS CA C 151 56.788 56.788 56.533 0.255 19654 720 1 . 1 1 151 151 HIS CB C 151 28.827 28.827 27.521 1.306 19654 721 1 . 1 1 151 151 HIS H H 151 7.483 7.483 7.642 -0.159 19654 722 1 . 1 1 152 152 VAL N N 152 120.499 120.499 120.654 -0.155 19654 723 1 . 1 1 152 152 VAL HA H 152 3.950 3.950 3.995 -0.045 19654 724 1 . 1 1 152 152 VAL CA C 152 62.110 62.110 64.743 -2.633 19654 725 1 . 1 1 152 152 VAL CB C 152 32.593 32.593 32.796 -0.203 19654 726 1 . 1 1 152 152 VAL H H 152 8.103 8.103 7.942 0.161 19654 727 1 . 1 1 153 153 GLU N N 153 123.580 123.580 118.829 4.751 19654 728 1 . 1 1 153 153 GLU HA H 153 4.162 4.162 4.422 -0.260 19654 729 1 . 1 1 153 153 GLU CA C 153 56.433 56.433 55.711 0.722 19654 730 1 . 1 1 153 153 GLU CB C 153 30.101 30.101 29.573 0.528 19654 731 1 . 1 1 153 153 GLU H H 153 8.446 8.446 8.409 0.037 19654 732 1 . 1 1 154 154 ASP N N 154 120.964 120.964 119.876 1.088 19654 733 1 . 1 1 154 154 ASP HA H 154 4.565 4.565 4.668 -0.103 19654 734 1 . 1 1 154 154 ASP CA C 154 54.106 54.106 53.771 0.335 19654 735 1 . 1 1 154 154 ASP CB C 154 40.836 40.836 41.948 -1.112 19654 736 1 . 1 1 154 154 ASP H H 154 8.325 8.325 7.912 0.413 19654 737 1 . 1 1 155 155 LEU N N 155 122.311 122.311 117.285 5.026 19654 738 1 . 1 1 155 155 LEU HA H 155 4.230 4.230 4.607 -0.377 19654 739 1 . 1 1 155 155 LEU CA C 155 55.340 55.340 55.541 -0.201 19654 740 1 . 1 1 155 155 LEU CB C 155 42.094 42.094 41.674 0.420 19654 741 1 . 1 1 155 155 LEU H H 155 8.210 8.210 8.241 -0.031 19654 742 1 . 1 1 156 156 GLU N N 156 120.023 120.023 119.447 0.576 19654 743 1 . 1 1 156 156 GLU HA H 156 4.218 4.218 4.247 -0.029 19654 744 1 . 1 1 156 156 GLU CA C 156 56.831 56.831 56.808 0.023 19654 745 1 . 1 1 156 156 GLU CB C 156 29.930 29.930 29.979 -0.050 19654 746 1 . 1 1 156 156 GLU H H 156 8.396 8.396 8.463 -0.067 19654 747 1 . 1 1 157 157 GLY N N 157 109.371 109.371 108.269 1.102 19654 748 1 . 1 1 157 157 GLY CA C 157 45.327 45.327 45.009 0.318 19654 749 1 . 1 1 157 157 GLY H H 157 8.323 8.323 8.158 0.165 19654 750 1 . 1 1 158 158 GLY N N 158 108.074 108.074 110.064 -1.990 19654 751 1 . 1 1 158 158 GLY CA C 158 45.061 45.061 44.856 0.205 19654 752 1 . 1 1 158 158 GLY H H 158 8.226 8.226 8.100 0.126 19654 753 1 . 1 1 159 159 HIS N N 159 117.875 117.875 120.231 -2.356 19654 754 1 . 1 1 159 159 HIS HA H 159 4.551 4.551 4.542 0.009 19654 755 1 . 1 1 159 159 HIS CA C 159 55.600 55.600 55.927 -0.327 19654 756 1 . 1 1 159 159 HIS CB C 159 29.800 29.800 29.898 -0.098 19654 757 1 . 1 1 159 159 HIS H H 159 8.210 8.210 8.183 0.027 19654 758 1 . 1 1 161 161 HIS N N 161 125.094 125.094 120.534 4.560 19654 759 1 . 1 1 161 161 HIS HA H 161 4.585 4.585 4.605 -0.020 19654 760 1 . 1 1 161 161 HIS H H 161 8.162 8.162 8.269 -0.107 19654 stop_ save_