data_25442 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25442 _Entry.PDB_ID 2MY2 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 25442 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 ALA HA H 2 4.335 4.335 4.115 0.220 25442 2 1 1 . 1 1 2 2 ALA CA C 2 53.634 53.634 52.316 1.318 25442 3 1 1 . 1 1 2 2 ALA CB C 2 19.441 19.441 18.401 1.040 25442 4 1 1 . 1 1 3 3 MET N N 3 120.791 120.791 119.645 1.146 25442 5 1 1 . 1 1 3 3 MET HA H 3 4.499 4.499 4.463 0.036 25442 6 1 1 . 1 1 3 3 MET CA C 3 55.772 55.772 55.600 0.172 25442 7 1 1 . 1 1 3 3 MET CB C 3 32.968 32.968 32.032 0.936 25442 8 1 1 . 1 1 3 3 MET H H 3 8.636 8.636 8.129 0.507 25442 9 1 1 . 1 1 4 4 GLY N N 4 109.879 109.879 112.629 -2.750 25442 10 1 1 . 1 1 4 4 GLY CA C 4 45.531 45.531 45.375 0.156 25442 11 1 1 . 1 1 4 4 GLY H H 4 8.391 8.391 8.876 -0.485 25442 12 1 1 . 1 1 5 5 ASN N N 5 124.309 124.309 118.518 5.791 25442 13 1 1 . 1 1 5 5 ASN HA H 5 4.661 4.661 4.629 0.032 25442 14 1 1 . 1 1 5 5 ASN CA C 5 53.419 53.419 52.916 0.502 25442 15 1 1 . 1 1 5 5 ASN CB C 5 39.059 39.059 39.878 -0.819 25442 16 1 1 . 1 1 5 5 ASN H H 5 7.954 7.954 7.633 0.321 25442 17 1 1 . 1 1 7 7 TYR N N 7 120.088 120.088 122.402 -2.314 25442 18 1 1 . 1 1 7 7 TYR HA H 7 4.463 4.463 4.327 0.136 25442 19 1 1 . 1 1 7 7 TYR CA C 7 58.098 58.098 58.811 -0.713 25442 20 1 1 . 1 1 7 7 TYR CB C 7 38.252 38.252 39.538 -1.286 25442 21 1 1 . 1 1 7 7 TYR H H 7 8.013 8.013 8.469 -0.456 25442 22 1 1 . 1 1 8 8 LYS N N 8 121.766 121.766 122.931 -1.165 25442 23 1 1 . 1 1 8 8 LYS HA H 8 4.174 4.174 4.365 -0.191 25442 24 1 1 . 1 1 8 8 LYS CA C 8 56.835 56.835 55.812 1.024 25442 25 1 1 . 1 1 8 8 LYS CB C 8 32.997 32.997 32.434 0.563 25442 26 1 1 . 1 1 8 8 LYS H H 8 7.845 7.845 8.430 -0.585 25442 27 1 1 . 1 1 9 9 ASP N N 9 119.739 119.739 119.893 -0.154 25442 28 1 1 . 1 1 9 9 ASP HA H 9 4.477 4.477 4.377 0.100 25442 29 1 1 . 1 1 9 9 ASP CA C 9 54.660 54.660 54.623 0.037 25442 30 1 1 . 1 1 9 9 ASP CB C 9 41.100 41.100 38.466 2.634 25442 31 1 1 . 1 1 9 9 ASP H H 9 8.043 8.043 8.572 -0.529 25442 32 1 1 . 1 1 10 10 ASN N N 10 119.260 119.260 119.256 0.004 25442 33 1 1 . 1 1 10 10 ASN HA H 10 4.875 4.875 4.740 0.135 25442 34 1 1 . 1 1 10 10 ASN CA C 10 53.255 53.255 52.383 0.873 25442 35 1 1 . 1 1 10 10 ASN CB C 10 39.105 39.105 39.396 -0.291 25442 36 1 1 . 1 1 10 10 ASN H H 10 8.174 8.174 8.544 -0.370 25442 37 1 1 . 1 1 11 11 ALA N N 11 122.869 122.869 123.821 -0.952 25442 38 1 1 . 1 1 11 11 ALA HA H 11 4.544 4.544 4.243 0.301 25442 39 1 1 . 1 1 11 11 ALA CA C 11 52.866 52.866 52.059 0.808 25442 40 1 1 . 1 1 11 11 ALA H H 11 8.299 8.299 8.099 0.200 25442 41 1 1 . 1 1 12 12 TYR N N 12 117.351 117.351 123.455 -6.104 25442 42 1 1 . 1 1 12 12 TYR HA H 12 5.220 5.220 5.288 -0.068 25442 43 1 1 . 1 1 12 12 TYR CA C 12 57.621 57.621 56.763 0.858 25442 44 1 1 . 1 1 12 12 TYR CB C 12 41.631 41.631 42.317 -0.686 25442 45 1 1 . 1 1 12 12 TYR H H 12 8.340 8.340 8.093 0.247 25442 46 1 1 . 1 1 13 13 ILE N N 13 112.184 112.184 117.355 -5.171 25442 47 1 1 . 1 1 13 13 ILE HA H 13 5.052 5.052 5.046 0.006 25442 48 1 1 . 1 1 13 13 ILE CA C 13 59.995 59.995 59.438 0.557 25442 49 1 1 . 1 1 13 13 ILE CB C 13 40.418 40.418 41.765 -1.347 25442 50 1 1 . 1 1 13 13 ILE H H 13 9.216 9.216 8.385 0.831 25442 51 1 1 . 1 1 14 14 TYR N N 14 123.504 123.504 125.664 -2.160 25442 52 1 1 . 1 1 14 14 TYR HA H 14 4.690 4.690 5.014 -0.324 25442 53 1 1 . 1 1 14 14 TYR CA C 14 56.688 56.688 56.094 0.594 25442 54 1 1 . 1 1 14 14 TYR CB C 14 40.564 40.564 40.374 0.190 25442 55 1 1 . 1 1 14 14 TYR H H 14 9.086 9.086 9.314 -0.228 25442 56 1 1 . 1 1 15 15 ILE N N 15 127.611 127.611 127.870 -0.259 25442 57 1 1 . 1 1 15 15 ILE HA H 15 4.288 4.288 4.392 -0.104 25442 58 1 1 . 1 1 15 15 ILE CA C 15 59.654 59.654 59.850 -0.196 25442 59 1 1 . 1 1 15 15 ILE CB C 15 40.260 40.260 39.567 0.693 25442 60 1 1 . 1 1 15 15 ILE H H 15 8.448 8.448 7.707 0.741 25442 61 1 1 . 1 1 16 16 GLY N N 16 112.660 112.660 111.909 0.751 25442 62 1 1 . 1 1 16 16 GLY CA C 16 43.240 43.240 43.003 0.237 25442 63 1 1 . 1 1 16 16 GLY H H 16 9.438 9.438 7.816 1.622 25442 64 1 1 . 1 1 17 17 ASN N N 17 114.980 114.980 115.923 -0.943 25442 65 1 1 . 1 1 17 17 ASN HA H 17 4.439 4.439 4.346 0.093 25442 66 1 1 . 1 1 17 17 ASN CA C 17 53.251 53.251 53.695 -0.444 25442 67 1 1 . 1 1 17 17 ASN CB C 17 38.259 38.259 37.736 0.523 25442 68 1 1 . 1 1 17 17 ASN H H 17 8.497 8.497 8.695 -0.198 25442 69 1 1 . 1 1 18 18 LEU N N 18 115.182 115.182 113.223 1.959 25442 70 1 1 . 1 1 18 18 LEU HA H 18 4.068 4.068 4.638 -0.570 25442 71 1 1 . 1 1 18 18 LEU CA C 18 54.073 54.073 53.408 0.665 25442 72 1 1 . 1 1 18 18 LEU CB C 18 42.912 42.912 43.534 -0.622 25442 73 1 1 . 1 1 18 18 LEU H H 18 7.859 7.859 7.480 0.379 25442 74 1 1 . 1 1 19 19 ASN N N 19 122.392 122.392 118.390 4.002 25442 75 1 1 . 1 1 19 19 ASN HA H 19 4.464 4.464 4.642 -0.178 25442 76 1 1 . 1 1 19 19 ASN CA C 19 54.087 54.087 53.343 0.744 25442 77 1 1 . 1 1 19 19 ASN CB C 19 38.703 38.703 39.407 -0.704 25442 78 1 1 . 1 1 19 19 ASN H H 19 8.727 8.727 8.552 0.175 25442 79 1 1 . 1 1 20 20 ARG N N 20 126.283 126.283 122.600 3.683 25442 80 1 1 . 1 1 20 20 ARG HA H 20 3.937 3.937 4.018 -0.081 25442 81 1 1 . 1 1 20 20 ARG CA C 20 58.719 58.719 58.672 0.048 25442 82 1 1 . 1 1 20 20 ARG CB C 20 29.719 29.719 30.398 -0.678 25442 83 1 1 . 1 1 20 20 ARG H H 20 8.940 8.940 8.642 0.298 25442 84 1 1 . 1 1 21 21 GLU N N 21 117.166 117.166 116.984 0.182 25442 85 1 1 . 1 1 21 21 GLU HA H 21 4.321 4.321 4.185 0.136 25442 86 1 1 . 1 1 21 21 GLU CA C 21 56.778 56.778 56.592 0.186 25442 87 1 1 . 1 1 21 21 GLU H H 21 8.867 8.867 8.277 0.590 25442 88 1 1 . 1 1 22 22 LEU N N 22 119.643 119.643 122.154 -2.511 25442 89 1 1 . 1 1 22 22 LEU HA H 22 4.540 4.540 4.130 0.410 25442 90 1 1 . 1 1 22 22 LEU CA C 22 55.505 55.505 55.733 -0.228 25442 91 1 1 . 1 1 22 22 LEU CB C 22 42.251 42.251 42.081 0.170 25442 92 1 1 . 1 1 22 22 LEU H H 22 7.324 7.324 7.261 0.063 25442 93 1 1 . 1 1 23 23 THR N N 23 114.564 114.564 120.657 -6.093 25442 94 1 1 . 1 1 23 23 THR HA H 23 4.483 4.483 4.555 -0.072 25442 95 1 1 . 1 1 23 23 THR CA C 23 60.155 60.155 60.242 -0.087 25442 96 1 1 . 1 1 23 23 THR CB C 23 73.000 73.000 71.586 1.414 25442 97 1 1 . 1 1 23 23 THR H H 23 9.483 9.483 8.066 1.417 25442 98 1 1 . 1 1 24 24 GLU N N 24 120.458 120.458 121.243 -0.785 25442 99 1 1 . 1 1 24 24 GLU HA H 24 3.604 3.604 4.052 -0.448 25442 100 1 1 . 1 1 24 24 GLU CA C 24 62.158 62.158 60.075 2.083 25442 101 1 1 . 1 1 24 24 GLU H H 24 10.410 10.410 8.945 1.465 25442 102 1 1 . 1 1 25 25 GLY N N 25 105.261 105.261 107.529 -2.268 25442 103 1 1 . 1 1 25 25 GLY CA C 25 47.219 47.219 47.369 -0.150 25442 104 1 1 . 1 1 25 25 GLY H H 25 8.402 8.402 7.834 0.568 25442 105 1 1 . 1 1 26 26 ASP N N 26 122.820 122.820 122.470 0.350 25442 106 1 1 . 1 1 26 26 ASP HA H 26 4.515 4.515 4.443 0.072 25442 107 1 1 . 1 1 26 26 ASP CA C 26 58.005 58.005 57.158 0.847 25442 108 1 1 . 1 1 26 26 ASP CB C 26 41.261 41.261 40.349 0.912 25442 109 1 1 . 1 1 26 26 ASP H H 26 7.539 7.539 8.027 -0.488 25442 110 1 1 . 1 1 27 27 ILE N N 27 118.686 118.686 120.758 -2.072 25442 111 1 1 . 1 1 27 27 ILE HA H 27 3.609 3.609 3.847 -0.238 25442 112 1 1 . 1 1 27 27 ILE CA C 27 65.348 65.348 65.450 -0.102 25442 113 1 1 . 1 1 27 27 ILE CB C 27 37.789 37.789 38.073 -0.284 25442 114 1 1 . 1 1 27 27 ILE H H 27 7.832 7.832 7.915 -0.083 25442 115 1 1 . 1 1 28 28 LEU N N 28 119.737 119.737 120.427 -0.690 25442 116 1 1 . 1 1 28 28 LEU HA H 28 3.790 3.790 3.943 -0.153 25442 117 1 1 . 1 1 28 28 LEU CA C 28 59.040 59.040 58.547 0.493 25442 118 1 1 . 1 1 28 28 LEU CB C 28 42.520 42.520 41.688 0.832 25442 119 1 1 . 1 1 28 28 LEU H H 28 8.731 8.731 8.637 0.094 25442 120 1 1 . 1 1 29 29 THR N N 29 119.509 119.509 115.461 4.048 25442 121 1 1 . 1 1 29 29 THR HA H 29 4.045 4.045 3.986 0.059 25442 122 1 1 . 1 1 29 29 THR CA C 29 67.196 67.196 66.753 0.443 25442 123 1 1 . 1 1 29 29 THR CB C 29 69.194 69.194 68.585 0.609 25442 124 1 1 . 1 1 29 29 THR H H 29 8.251 8.251 8.063 0.188 25442 125 1 1 . 1 1 30 30 VAL N N 30 117.974 117.974 121.396 -3.422 25442 126 1 1 . 1 1 30 30 VAL HA H 30 3.869 3.869 3.756 0.113 25442 127 1 1 . 1 1 30 30 VAL CA C 30 65.727 65.727 66.394 -0.667 25442 128 1 1 . 1 1 30 30 VAL CB C 30 32.912 32.912 31.820 1.092 25442 129 1 1 . 1 1 30 30 VAL H H 30 7.627 7.627 8.156 -0.529 25442 130 1 1 . 1 1 31 31 PHE N N 31 113.937 113.937 117.163 -3.226 25442 131 1 1 . 1 1 31 31 PHE HA H 31 3.908 3.908 4.800 -0.892 25442 132 1 1 . 1 1 31 31 PHE CA C 31 62.044 62.044 59.644 2.400 25442 133 1 1 . 1 1 31 31 PHE CB C 31 37.217 37.217 39.219 -2.002 25442 134 1 1 . 1 1 31 31 PHE H H 31 8.903 8.903 8.532 0.371 25442 135 1 1 . 1 1 32 32 SER N N 32 118.854 118.854 116.830 2.024 25442 136 1 1 . 1 1 32 32 SER HA H 32 5.405 5.405 3.934 1.471 25442 137 1 1 . 1 1 32 32 SER CA C 32 61.282 61.282 62.834 -1.552 25442 138 1 1 . 1 1 32 32 SER CB C 32 64.055 64.055 63.028 1.027 25442 139 1 1 . 1 1 32 32 SER H H 32 8.024 8.024 8.557 -0.533 25442 140 1 1 . 1 1 33 33 GLU N N 33 121.203 121.203 120.404 0.799 25442 141 1 1 . 1 1 33 33 GLU HA H 33 2.246 2.246 3.961 -1.715 25442 142 1 1 . 1 1 33 33 GLU CA C 33 59.596 59.596 58.440 1.156 25442 143 1 1 . 1 1 33 33 GLU H H 33 6.935 6.935 8.097 -1.162 25442 144 1 1 . 1 1 34 34 TYR N N 34 108.039 108.039 119.444 -11.405 25442 145 1 1 . 1 1 34 34 TYR HA H 34 4.953 4.953 4.518 0.435 25442 146 1 1 . 1 1 34 34 TYR CA C 34 57.226 57.226 56.758 0.468 25442 147 1 1 . 1 1 34 34 TYR CB C 34 38.821 38.821 36.548 2.273 25442 148 1 1 . 1 1 34 34 TYR H H 34 6.254 6.254 7.547 -1.293 25442 149 1 1 . 1 1 35 35 GLY N N 35 103.601 103.601 106.682 -3.081 25442 150 1 1 . 1 1 35 35 GLY CA C 35 44.594 44.594 44.410 0.184 25442 151 1 1 . 1 1 35 35 GLY H H 35 7.247 7.247 7.470 -0.223 25442 152 1 1 . 1 1 36 36 VAL N N 36 120.482 120.482 121.993 -1.511 25442 153 1 1 . 1 1 36 36 VAL HA H 36 4.537 4.537 4.093 0.444 25442 154 1 1 . 1 1 36 36 VAL CA C 36 59.942 59.942 60.296 -0.354 25442 155 1 1 . 1 1 36 36 VAL CB C 36 33.989 33.989 33.285 0.704 25442 156 1 1 . 1 1 36 36 VAL H H 36 8.549 8.549 7.584 0.965 25442 157 1 1 . 1 1 37 37 PRO HA H 37 4.543 4.543 4.486 0.057 25442 158 1 1 . 1 1 37 37 PRO CA C 37 62.043 62.043 62.225 -0.182 25442 159 1 1 . 1 1 37 37 PRO CB C 37 31.531 31.531 32.506 -0.975 25442 160 1 1 . 1 1 38 38 VAL N N 38 118.566 118.566 114.298 4.268 25442 161 1 1 . 1 1 38 38 VAL HA H 38 4.439 4.439 4.302 0.137 25442 162 1 1 . 1 1 38 38 VAL CA C 38 61.064 61.064 61.954 -0.890 25442 163 1 1 . 1 1 38 38 VAL CB C 38 32.842 32.842 32.074 0.768 25442 164 1 1 . 1 1 38 38 VAL H H 38 9.099 9.099 8.132 0.967 25442 165 1 1 . 1 1 39 39 ASP N N 39 118.912 118.912 120.096 -1.184 25442 166 1 1 . 1 1 39 39 ASP HA H 39 4.920 4.920 4.845 0.075 25442 167 1 1 . 1 1 39 39 ASP CA C 39 54.860 54.860 54.238 0.622 25442 168 1 1 . 1 1 39 39 ASP CB C 39 44.441 44.441 45.067 -0.626 25442 169 1 1 . 1 1 39 39 ASP H H 39 7.300 7.300 7.620 -0.320 25442 170 1 1 . 1 1 40 40 VAL N N 40 123.365 123.365 123.025 0.340 25442 171 1 1 . 1 1 40 40 VAL HA H 40 4.759 4.759 4.398 0.361 25442 172 1 1 . 1 1 40 40 VAL CA C 40 61.259 61.259 61.504 -0.245 25442 173 1 1 . 1 1 40 40 VAL CB C 40 34.464 34.464 34.011 0.452 25442 174 1 1 . 1 1 40 40 VAL H H 40 8.052 8.052 8.491 -0.439 25442 175 1 1 . 1 1 41 41 ILE N N 41 127.951 127.951 128.627 -0.676 25442 176 1 1 . 1 1 41 41 ILE HA H 41 4.361 4.361 4.426 -0.065 25442 177 1 1 . 1 1 41 41 ILE CA C 41 60.204 60.204 60.457 -0.253 25442 178 1 1 . 1 1 41 41 ILE CB C 41 41.220 41.220 40.095 1.125 25442 179 1 1 . 1 1 41 41 ILE H H 41 9.031 9.031 9.400 -0.369 25442 180 1 1 . 1 1 42 42 LEU N N 42 130.034 130.034 128.736 1.298 25442 181 1 1 . 1 1 42 42 LEU HA H 42 4.415 4.415 4.719 -0.304 25442 182 1 1 . 1 1 42 42 LEU CA C 42 53.832 53.832 53.801 0.031 25442 183 1 1 . 1 1 42 42 LEU CB C 42 44.353 44.353 44.256 0.097 25442 184 1 1 . 1 1 42 42 LEU H H 42 8.935 8.935 8.648 0.287 25442 185 1 1 . 1 1 43 43 SER N N 43 121.977 121.977 120.004 1.973 25442 186 1 1 . 1 1 43 43 SER HA H 43 4.092 4.092 4.550 -0.458 25442 187 1 1 . 1 1 43 43 SER CA C 43 59.298 59.298 59.467 -0.169 25442 188 1 1 . 1 1 43 43 SER CB C 43 62.879 62.879 64.070 -1.191 25442 189 1 1 . 1 1 43 43 SER H H 43 8.088 8.088 8.555 -0.467 25442 190 1 1 . 1 1 44 44 ARG N N 44 125.852 125.852 121.849 4.003 25442 191 1 1 . 1 1 44 44 ARG HA H 44 4.906 4.906 4.738 0.168 25442 192 1 1 . 1 1 44 44 ARG CA C 44 54.363 54.363 55.070 -0.707 25442 193 1 1 . 1 1 44 44 ARG CB C 44 34.095 34.095 34.356 -0.261 25442 194 1 1 . 1 1 44 44 ARG H H 44 8.081 8.081 8.290 -0.209 25442 195 1 1 . 1 1 45 45 ASP N N 45 123.150 123.150 122.855 0.295 25442 196 1 1 . 1 1 45 45 ASP HA H 45 4.425 4.425 4.683 -0.258 25442 197 1 1 . 1 1 45 45 ASP CA C 45 54.728 54.728 53.215 1.513 25442 198 1 1 . 1 1 45 45 ASP CB C 45 43.318 43.318 41.733 1.585 25442 199 1 1 . 1 1 45 45 ASP H H 45 8.594 8.594 8.796 -0.202 25442 200 1 1 . 1 1 46 46 GLU N N 46 127.786 127.786 125.664 2.122 25442 201 1 1 . 1 1 46 46 GLU HA H 46 4.048 4.048 3.949 0.099 25442 202 1 1 . 1 1 46 46 GLU CA C 46 59.018 59.018 58.550 0.468 25442 203 1 1 . 1 1 46 46 GLU CB C 46 29.870 29.870 29.727 0.143 25442 204 1 1 . 1 1 46 46 GLU H H 46 9.250 9.250 8.826 0.424 25442 205 1 1 . 1 1 47 47 ASN N N 47 116.105 116.105 115.357 0.748 25442 206 1 1 . 1 1 47 47 ASN HA H 47 4.825 4.825 4.545 0.280 25442 207 1 1 . 1 1 47 47 ASN CA C 47 55.321 55.321 55.601 -0.280 25442 208 1 1 . 1 1 47 47 ASN CB C 47 39.927 39.927 39.024 0.903 25442 209 1 1 . 1 1 47 47 ASN H H 47 8.857 8.857 8.983 -0.126 25442 210 1 1 . 1 1 48 48 THR N N 48 108.395 108.395 110.572 -2.177 25442 211 1 1 . 1 1 48 48 THR HA H 48 4.461 4.461 4.374 0.087 25442 212 1 1 . 1 1 48 48 THR CA C 48 61.883 61.883 61.920 -0.037 25442 213 1 1 . 1 1 48 48 THR CB C 48 71.194 71.194 70.237 0.957 25442 214 1 1 . 1 1 48 48 THR H H 48 8.539 8.539 7.776 0.763 25442 215 1 1 . 1 1 49 49 GLY N N 49 110.910 110.910 109.805 1.105 25442 216 1 1 . 1 1 49 49 GLY CA C 49 45.706 45.706 45.468 0.238 25442 217 1 1 . 1 1 49 49 GLY H H 49 8.293 8.293 7.773 0.520 25442 218 1 1 . 1 1 50 50 GLU N N 50 120.328 120.328 120.513 -0.185 25442 219 1 1 . 1 1 50 50 GLU HA H 50 4.162 4.162 3.867 0.295 25442 220 1 1 . 1 1 50 50 GLU CA C 50 56.540 56.540 58.398 -1.858 25442 221 1 1 . 1 1 50 50 GLU CB C 50 30.948 30.948 28.264 2.684 25442 222 1 1 . 1 1 50 50 GLU H H 50 7.854 7.854 8.840 -0.986 25442 223 1 1 . 1 1 51 51 SER N N 51 117.235 117.235 116.749 0.486 25442 224 1 1 . 1 1 51 51 SER HA H 51 4.391 4.391 4.275 0.116 25442 225 1 1 . 1 1 51 51 SER CA C 51 58.361 58.361 58.706 -0.345 25442 226 1 1 . 1 1 51 51 SER CB C 51 64.438 64.438 64.066 0.372 25442 227 1 1 . 1 1 51 51 SER H H 51 8.950 8.950 8.268 0.682 25442 228 1 1 . 1 1 52 52 GLN N N 52 122.996 122.996 121.477 1.519 25442 229 1 1 . 1 1 52 52 GLN HA H 52 4.516 4.516 4.702 -0.186 25442 230 1 1 . 1 1 52 52 GLN CA C 52 55.406 55.406 56.229 -0.823 25442 231 1 1 . 1 1 52 52 GLN CB C 52 29.624 29.624 29.409 0.215 25442 232 1 1 . 1 1 52 52 GLN H H 52 8.929 8.929 8.492 0.437 25442 233 1 1 . 1 1 53 53 GLY N N 53 106.139 106.139 106.555 -0.416 25442 234 1 1 . 1 1 53 53 GLY CA C 53 46.434 46.434 44.981 1.453 25442 235 1 1 . 1 1 53 53 GLY H H 53 8.876 8.876 8.181 0.695 25442 236 1 1 . 1 1 54 54 PHE N N 54 112.294 112.294 118.339 -6.045 25442 237 1 1 . 1 1 54 54 PHE HA H 54 5.436 5.436 5.098 0.338 25442 238 1 1 . 1 1 54 54 PHE CA C 54 55.464 55.464 55.956 -0.492 25442 239 1 1 . 1 1 54 54 PHE CB C 54 41.207 41.207 42.195 -0.988 25442 240 1 1 . 1 1 54 54 PHE H H 54 6.938 6.938 7.250 -0.312 25442 241 1 1 . 1 1 55 55 ALA N N 55 121.935 121.935 122.005 -0.070 25442 242 1 1 . 1 1 55 55 ALA HA H 55 5.051 5.051 5.015 0.036 25442 243 1 1 . 1 1 55 55 ALA CA C 55 49.517 49.517 51.422 -1.905 25442 244 1 1 . 1 1 55 55 ALA CB C 55 24.966 24.966 22.533 2.433 25442 245 1 1 . 1 1 55 55 ALA H H 55 9.098 9.098 8.164 0.934 25442 246 1 1 . 1 1 56 56 TYR N N 56 114.799 114.799 117.932 -3.133 25442 247 1 1 . 1 1 56 56 TYR HA H 56 5.652 5.652 5.585 0.067 25442 248 1 1 . 1 1 56 56 TYR CA C 56 56.128 56.128 56.307 -0.179 25442 249 1 1 . 1 1 56 56 TYR CB C 56 42.405 42.405 42.016 0.389 25442 250 1 1 . 1 1 56 56 TYR H H 56 8.572 8.572 9.234 -0.662 25442 251 1 1 . 1 1 57 57 LEU N N 57 123.129 123.129 117.704 5.425 25442 252 1 1 . 1 1 57 57 LEU HA H 57 5.100 5.100 5.421 -0.321 25442 253 1 1 . 1 1 57 57 LEU CA C 57 54.552 54.552 53.594 0.958 25442 254 1 1 . 1 1 57 57 LEU H H 57 8.600 8.600 8.694 -0.094 25442 255 1 1 . 1 1 58 58 LYS N N 58 126.556 126.556 120.938 5.618 25442 256 1 1 . 1 1 58 58 LYS HA H 58 4.553 4.553 4.358 0.195 25442 257 1 1 . 1 1 58 58 LYS CA C 58 54.518 54.518 54.953 -0.435 25442 258 1 1 . 1 1 58 58 LYS CB C 58 36.254 36.254 34.452 1.802 25442 259 1 1 . 1 1 58 58 LYS H H 58 8.389 8.389 8.414 -0.025 25442 260 1 1 . 1 1 59 59 TYR N N 59 126.761 126.761 126.343 0.418 25442 261 1 1 . 1 1 59 59 TYR HA H 59 5.061 5.061 4.525 0.536 25442 262 1 1 . 1 1 59 59 TYR CA C 59 58.271 58.271 57.851 0.420 25442 263 1 1 . 1 1 59 59 TYR H H 59 9.035 9.035 8.044 0.991 25442 264 1 1 . 1 1 60 60 GLU N N 60 120.097 120.097 121.693 -1.596 25442 265 1 1 . 1 1 60 60 GLU HA H 60 3.890 3.890 4.008 -0.118 25442 266 1 1 . 1 1 60 60 GLU CA C 60 59.244 59.244 58.576 0.668 25442 267 1 1 . 1 1 60 60 GLU CB C 60 31.145 31.145 30.159 0.986 25442 268 1 1 . 1 1 60 60 GLU H H 60 8.796 8.796 8.574 0.222 25442 269 1 1 . 1 1 61 61 ASP N N 61 117.697 117.697 118.224 -0.527 25442 270 1 1 . 1 1 61 61 ASP HA H 61 4.842 4.842 4.866 -0.024 25442 271 1 1 . 1 1 61 61 ASP CA C 61 51.550 51.550 53.029 -1.479 25442 272 1 1 . 1 1 61 61 ASP CB C 61 43.258 43.258 42.449 0.809 25442 273 1 1 . 1 1 61 61 ASP H H 61 8.006 8.006 8.074 -0.068 25442 274 1 1 . 1 1 62 62 GLN N N 62 126.321 126.321 121.860 4.461 25442 275 1 1 . 1 1 62 62 GLN HA H 62 4.223 4.223 4.085 0.138 25442 276 1 1 . 1 1 62 62 GLN CA C 62 58.637 58.637 58.496 0.141 25442 277 1 1 . 1 1 62 62 GLN CB C 62 27.994 27.994 28.361 -0.367 25442 278 1 1 . 1 1 62 62 GLN H H 62 9.053 9.053 8.783 0.270 25442 279 1 1 . 1 1 63 63 ARG N N 63 121.086 121.086 119.084 2.002 25442 280 1 1 . 1 1 63 63 ARG HA H 63 3.654 3.654 4.277 -0.623 25442 281 1 1 . 1 1 63 63 ARG CA C 63 58.971 58.971 58.520 0.451 25442 282 1 1 . 1 1 63 63 ARG H H 63 8.960 8.960 8.322 0.638 25442 283 1 1 . 1 1 64 64 SER N N 64 114.891 114.891 115.790 -0.899 25442 284 1 1 . 1 1 64 64 SER HA H 64 3.704 3.704 4.411 -0.707 25442 285 1 1 . 1 1 64 64 SER CA C 64 63.589 63.589 61.429 2.160 25442 286 1 1 . 1 1 64 64 SER H H 64 8.143 8.143 8.367 -0.224 25442 287 1 1 . 1 1 65 65 THR N N 65 111.019 111.019 115.357 -4.338 25442 288 1 1 . 1 1 65 65 THR HA H 65 3.765 3.765 3.805 -0.040 25442 289 1 1 . 1 1 65 65 THR CA C 65 66.198 66.198 65.396 0.802 25442 290 1 1 . 1 1 65 65 THR CB C 65 68.461 68.461 68.152 0.309 25442 291 1 1 . 1 1 65 65 THR H H 65 7.633 7.633 7.528 0.105 25442 292 1 1 . 1 1 66 66 ILE N N 66 123.242 123.242 122.282 0.960 25442 293 1 1 . 1 1 66 66 ILE HA H 66 3.673 3.673 3.801 -0.128 25442 294 1 1 . 1 1 66 66 ILE CA C 66 64.506 64.506 64.906 -0.400 25442 295 1 1 . 1 1 66 66 ILE CB C 66 38.668 38.668 37.550 1.118 25442 296 1 1 . 1 1 66 66 ILE H H 66 6.648 6.648 7.431 -0.783 25442 297 1 1 . 1 1 67 67 LEU N N 67 113.375 113.375 120.353 -6.978 25442 298 1 1 . 1 1 67 67 LEU HA H 67 3.627 3.627 3.882 -0.255 25442 299 1 1 . 1 1 67 67 LEU CA C 67 57.678 57.678 58.235 -0.557 25442 300 1 1 . 1 1 67 67 LEU CB C 67 41.866 41.866 41.533 0.333 25442 301 1 1 . 1 1 67 67 LEU H H 67 6.899 6.899 7.574 -0.675 25442 302 1 1 . 1 1 68 68 ALA N N 68 120.327 120.327 120.200 0.127 25442 303 1 1 . 1 1 68 68 ALA HA H 68 3.406 3.406 3.671 -0.265 25442 304 1 1 . 1 1 68 68 ALA CA C 68 55.643 55.643 54.973 0.670 25442 305 1 1 . 1 1 68 68 ALA CB C 68 19.395 19.395 18.321 1.074 25442 306 1 1 . 1 1 68 68 ALA H H 68 8.201 8.201 7.692 0.509 25442 307 1 1 . 1 1 69 69 VAL N N 69 118.977 118.977 119.520 -0.543 25442 308 1 1 . 1 1 69 69 VAL HA H 69 3.221 3.221 3.553 -0.332 25442 309 1 1 . 1 1 69 69 VAL CA C 69 67.039 67.039 67.263 -0.224 25442 310 1 1 . 1 1 69 69 VAL CB C 69 31.896 31.896 31.682 0.214 25442 311 1 1 . 1 1 69 69 VAL H H 69 8.235 8.235 7.996 0.239 25442 312 1 1 . 1 1 70 70 ASP N N 70 116.894 116.894 118.368 -1.474 25442 313 1 1 . 1 1 70 70 ASP HA H 70 3.941 3.941 4.393 -0.452 25442 314 1 1 . 1 1 70 70 ASP CA C 70 57.576 57.576 56.527 1.049 25442 315 1 1 . 1 1 70 70 ASP CB C 70 39.037 39.037 40.262 -1.225 25442 316 1 1 . 1 1 70 70 ASP H H 70 8.152 8.152 8.257 -0.105 25442 317 1 1 . 1 1 71 71 ASN N N 71 110.936 110.936 116.996 -6.060 25442 318 1 1 . 1 1 71 71 ASN HA H 71 5.009 5.009 4.518 0.491 25442 319 1 1 . 1 1 71 71 ASN CA C 71 55.710 55.710 54.795 0.915 25442 320 1 1 . 1 1 71 71 ASN CB C 71 42.091 42.091 38.858 3.233 25442 321 1 1 . 1 1 71 71 ASN H H 71 7.562 7.562 7.784 -0.222 25442 322 1 1 . 1 1 72 72 LEU N N 72 116.460 116.460 118.576 -2.116 25442 323 1 1 . 1 1 72 72 LEU HA H 72 4.686 4.686 4.318 0.368 25442 324 1 1 . 1 1 72 72 LEU CA C 72 54.411 54.411 54.639 -0.228 25442 325 1 1 . 1 1 72 72 LEU CB C 72 42.477 42.477 40.771 1.706 25442 326 1 1 . 1 1 72 72 LEU H H 72 8.406 8.406 8.301 0.105 25442 327 1 1 . 1 1 73 73 ASN N N 73 118.618 118.618 119.193 -0.575 25442 328 1 1 . 1 1 73 73 ASN HA H 73 4.419 4.419 4.582 -0.163 25442 329 1 1 . 1 1 73 73 ASN CA C 73 56.716 56.716 54.514 2.203 25442 330 1 1 . 1 1 73 73 ASN CB C 73 39.452 39.452 38.287 1.165 25442 331 1 1 . 1 1 73 73 ASN H H 73 6.956 6.956 7.696 -0.740 25442 332 1 1 . 1 1 74 74 GLY N N 74 116.095 116.095 115.323 0.772 25442 333 1 1 . 1 1 74 74 GLY CA C 74 45.912 45.912 45.386 0.526 25442 334 1 1 . 1 1 74 74 GLY H H 74 9.379 9.379 8.344 1.035 25442 335 1 1 . 1 1 75 75 PHE N N 75 123.354 123.354 122.315 1.039 25442 336 1 1 . 1 1 75 75 PHE HA H 75 4.311 4.311 4.422 -0.111 25442 337 1 1 . 1 1 75 75 PHE CA C 75 58.979 58.979 57.897 1.082 25442 338 1 1 . 1 1 75 75 PHE CB C 75 41.709 41.709 40.249 1.460 25442 339 1 1 . 1 1 75 75 PHE H H 75 8.211 8.211 7.324 0.887 25442 340 1 1 . 1 1 76 76 LYS N N 76 127.267 127.267 126.646 0.621 25442 341 1 1 . 1 1 76 76 LYS HA H 76 4.598 4.598 4.458 0.140 25442 342 1 1 . 1 1 76 76 LYS CA C 76 56.529 56.529 55.831 0.697 25442 343 1 1 . 1 1 76 76 LYS CB C 76 33.073 33.073 32.925 0.148 25442 344 1 1 . 1 1 76 76 LYS H H 76 7.648 7.648 7.775 -0.127 25442 345 1 1 . 1 1 77 77 ILE N N 77 121.576 121.576 124.399 -2.823 25442 346 1 1 . 1 1 77 77 ILE HA H 77 4.406 4.406 4.078 0.328 25442 347 1 1 . 1 1 77 77 ILE CA C 77 60.214 60.214 61.202 -0.988 25442 348 1 1 . 1 1 77 77 ILE CB C 77 40.048 40.048 39.795 0.253 25442 349 1 1 . 1 1 77 77 ILE H H 77 8.100 8.100 8.659 -0.559 25442 350 1 1 . 1 1 78 78 GLY CA C 78 47.118 47.118 45.147 1.971 25442 351 1 1 . 1 1 79 79 GLY CA C 79 45.171 45.171 44.809 0.362 25442 352 1 1 . 1 1 80 80 ARG N N 80 119.377 119.377 120.785 -1.408 25442 353 1 1 . 1 1 80 80 ARG HA H 80 4.650 4.650 4.588 0.062 25442 354 1 1 . 1 1 80 80 ARG CA C 80 54.849 54.849 54.091 0.758 25442 355 1 1 . 1 1 80 80 ARG CB C 80 33.411 33.411 32.450 0.961 25442 356 1 1 . 1 1 80 80 ARG H H 80 7.379 7.379 7.380 -0.001 25442 357 1 1 . 1 1 81 81 ALA N N 81 126.782 126.782 127.425 -0.643 25442 358 1 1 . 1 1 81 81 ALA HA H 81 4.137 4.137 4.699 -0.562 25442 359 1 1 . 1 1 81 81 ALA CA C 81 51.454 51.454 51.488 -0.034 25442 360 1 1 . 1 1 81 81 ALA CB C 81 19.131 19.131 19.465 -0.334 25442 361 1 1 . 1 1 81 81 ALA H H 81 8.734 8.734 8.440 0.294 25442 362 1 1 . 1 1 82 82 LEU N N 82 125.769 125.769 125.161 0.608 25442 363 1 1 . 1 1 82 82 LEU HA H 82 4.390 4.390 4.295 0.095 25442 364 1 1 . 1 1 82 82 LEU CA C 82 56.196 56.196 55.627 0.569 25442 365 1 1 . 1 1 82 82 LEU CB C 82 43.362 43.362 43.665 -0.303 25442 366 1 1 . 1 1 82 82 LEU H H 82 8.736 8.736 8.426 0.310 25442 367 1 1 . 1 1 83 83 LYS N N 83 123.851 123.851 124.592 -0.741 25442 368 1 1 . 1 1 83 83 LYS HA H 83 5.005 5.005 4.696 0.309 25442 369 1 1 . 1 1 83 83 LYS CA C 83 54.790 54.790 55.111 -0.321 25442 370 1 1 . 1 1 83 83 LYS CB C 83 34.212 34.212 33.586 0.626 25442 371 1 1 . 1 1 83 83 LYS H H 83 7.838 7.838 8.112 -0.274 25442 372 1 1 . 1 1 84 84 ILE N N 84 125.629 125.629 126.537 -0.908 25442 373 1 1 . 1 1 84 84 ILE HA H 84 5.576 5.576 5.096 0.480 25442 374 1 1 . 1 1 84 84 ILE CA C 84 58.513 58.513 59.118 -0.605 25442 375 1 1 . 1 1 84 84 ILE CB C 84 40.310 40.310 38.220 2.090 25442 376 1 1 . 1 1 84 84 ILE H H 84 8.727 8.727 8.522 0.205 25442 377 1 1 . 1 1 85 85 ASP N N 85 124.427 124.427 126.354 -1.927 25442 378 1 1 . 1 1 85 85 ASP HA H 85 5.094 5.094 4.972 0.122 25442 379 1 1 . 1 1 85 85 ASP CA C 85 52.697 52.697 52.950 -0.253 25442 380 1 1 . 1 1 85 85 ASP CB C 85 45.574 45.574 44.377 1.196 25442 381 1 1 . 1 1 85 85 ASP H H 85 8.960 8.960 8.490 0.470 25442 382 1 1 . 1 1 86 86 HIS N N 86 121.356 121.356 122.118 -0.762 25442 383 1 1 . 1 1 86 86 HIS HA H 86 4.635 4.635 4.752 -0.117 25442 384 1 1 . 1 1 86 86 HIS CA C 86 58.158 58.158 56.416 1.742 25442 385 1 1 . 1 1 86 86 HIS CB C 86 31.368 31.368 31.005 0.363 25442 386 1 1 . 1 1 86 86 HIS H H 86 8.783 8.783 8.675 0.108 25442 387 1 1 . 1 1 87 87 THR N N 87 114.331 114.331 116.028 -1.697 25442 388 1 1 . 1 1 87 87 THR HA H 87 4.691 4.691 4.583 0.108 25442 389 1 1 . 1 1 87 87 THR CA C 87 60.890 60.890 61.417 -0.527 25442 390 1 1 . 1 1 87 87 THR CB C 87 70.215 70.215 70.276 -0.061 25442 391 1 1 . 1 1 87 87 THR H H 87 8.032 8.032 8.417 -0.385 25442 392 1 1 . 1 1 88 88 PHE N N 88 118.673 118.673 114.974 3.699 25442 393 1 1 . 1 1 88 88 PHE HA H 88 4.305 4.305 4.627 -0.322 25442 394 1 1 . 1 1 88 88 PHE CA C 88 58.926 58.926 57.117 1.809 25442 395 1 1 . 1 1 88 88 PHE CB C 88 39.673 39.673 38.944 0.730 25442 396 1 1 . 1 1 88 88 PHE H H 88 8.233 8.233 7.683 0.550 25442 397 1 1 . 1 1 89 89 TYR N N 89 124.182 124.182 120.020 4.162 25442 398 1 1 . 1 1 89 89 TYR HA H 89 4.193 4.193 4.325 -0.132 25442 399 1 1 . 1 1 89 89 TYR CA C 89 58.510 58.510 55.944 2.566 25442 400 1 1 . 1 1 89 89 TYR CB C 89 39.993 39.993 38.413 1.579 25442 401 1 1 . 1 1 89 89 TYR H H 89 8.246 8.246 6.862 1.384 25442 402 1 1 . 1 1 90 90 ARG N N 90 125.111 125.111 122.565 2.546 25442 403 1 1 . 1 1 90 90 ARG HA H 90 4.219 4.219 4.407 -0.188 25442 404 1 1 . 1 1 90 90 ARG CA C 90 52.511 52.511 53.393 -0.882 25442 405 1 1 . 1 1 90 90 ARG CB C 90 31.298 31.298 31.257 0.041 25442 406 1 1 . 1 1 90 90 ARG H H 90 7.223 7.223 8.338 -1.115 25442 407 1 1 . 1 1 91 91 PRO HA H 91 4.028 4.028 4.432 -0.404 25442 408 1 1 . 1 1 91 91 PRO CA C 91 62.759 62.759 62.453 0.306 25442 409 1 1 . 1 1 91 91 PRO CB C 91 32.074 32.074 32.409 -0.335 25442 410 1 1 . 1 1 94 94 SER HA H 94 4.466 4.466 4.606 -0.140 25442 411 1 1 . 1 1 94 94 SER CA C 94 58.273 58.273 57.931 0.342 25442 412 1 1 . 1 1 94 94 SER CB C 94 63.656 63.656 64.274 -0.618 25442 413 1 1 . 1 1 95 95 LEU HA H 95 4.369 4.369 4.582 -0.213 25442 414 1 1 . 1 1 95 95 LEU CA C 95 55.482 55.482 55.063 0.419 25442 415 1 1 . 1 1 95 95 LEU CB C 95 42.350 42.350 41.557 0.793 25442 416 1 1 . 1 1 97 97 LYS HA H 97 4.197 4.197 4.169 0.028 25442 417 1 1 . 1 1 97 97 LYS CA C 97 56.923 56.923 58.647 -1.724 25442 418 1 1 . 1 1 97 97 LYS CB C 97 32.936 32.936 31.885 1.051 25442 419 1 1 . 1 1 98 98 TYR N N 98 120.486 120.486 121.023 -0.537 25442 420 1 1 . 1 1 98 98 TYR HA H 98 4.477 4.477 4.238 0.239 25442 421 1 1 . 1 1 98 98 TYR CA C 98 58.249 58.249 59.407 -1.157 25442 422 1 1 . 1 1 98 98 TYR CB C 98 38.659 38.659 38.007 0.652 25442 423 1 1 . 1 1 98 98 TYR H H 98 7.979 7.979 8.378 -0.399 25442 424 1 1 . 1 1 99 99 TYR N N 99 120.784 120.784 121.473 -0.689 25442 425 1 1 . 1 1 99 99 TYR HA H 99 4.455 4.455 3.953 0.502 25442 426 1 1 . 1 1 99 99 TYR CA C 99 58.281 58.281 61.597 -3.316 25442 427 1 1 . 1 1 99 99 TYR CB C 99 38.902 38.902 38.444 0.458 25442 428 1 1 . 1 1 99 99 TYR H H 99 7.918 7.918 8.024 -0.106 25442 429 1 1 . 1 1 100 100 GLU N N 100 122.033 122.033 118.883 3.150 25442 430 1 1 . 1 1 100 100 GLU HA H 100 4.171 4.171 3.938 0.233 25442 431 1 1 . 1 1 100 100 GLU CA C 100 56.766 56.766 58.132 -1.366 25442 432 1 1 . 1 1 100 100 GLU H H 100 8.055 8.055 7.974 0.081 25442 433 1 1 . 1 1 101 101 ALA N N 101 124.629 124.629 120.415 4.214 25442 434 1 1 . 1 1 101 101 ALA HA H 101 4.283 4.283 4.069 0.214 25442 435 1 1 . 1 1 101 101 ALA CA C 101 52.795 52.795 52.090 0.705 25442 436 1 1 . 1 1 101 101 ALA CB C 101 19.150 19.150 18.695 0.455 25442 437 1 1 . 1 1 101 101 ALA H H 101 8.040 8.040 7.237 0.803 25442 438 1 1 . 1 1 102 102 VAL N N 102 119.031 119.031 119.353 -0.322 25442 439 1 1 . 1 1 102 102 VAL HA H 102 4.039 4.039 3.633 0.406 25442 440 1 1 . 1 1 102 102 VAL CA C 102 62.675 62.675 63.436 -0.761 25442 441 1 1 . 1 1 102 102 VAL CB C 102 32.610 32.610 31.904 0.706 25442 442 1 1 . 1 1 102 102 VAL H H 102 7.960 7.960 7.031 0.929 25442 443 1 1 . 1 1 103 103 LYS N N 103 124.562 124.562 123.546 1.016 25442 444 1 1 . 1 1 103 103 LYS HA H 103 4.258 4.258 4.005 0.253 25442 445 1 1 . 1 1 103 103 LYS CA C 103 56.797 56.797 56.540 0.257 25442 446 1 1 . 1 1 103 103 LYS CB C 103 33.012 33.012 33.433 -0.421 25442 447 1 1 . 1 1 103 103 LYS H H 103 8.207 8.207 8.162 0.045 25442 448 1 1 . 1 1 104 104 GLU N N 104 121.722 121.722 122.726 -1.004 25442 449 1 1 . 1 1 104 104 GLU HA H 104 4.263 4.263 4.155 0.108 25442 450 1 1 . 1 1 104 104 GLU CA C 104 57.034 57.034 56.953 0.081 25442 451 1 1 . 1 1 104 104 GLU CB C 104 30.351 30.351 28.155 2.196 25442 452 1 1 . 1 1 104 104 GLU H H 104 8.325 8.325 8.719 -0.394 25442 453 1 1 . 1 1 105 105 GLU N N 105 121.479 121.479 121.637 -0.158 25442 454 1 1 . 1 1 105 105 GLU HA H 105 4.264 4.264 4.110 0.154 25442 455 1 1 . 1 1 105 105 GLU CA C 105 56.802 56.802 58.653 -1.851 25442 456 1 1 . 1 1 105 105 GLU CB C 105 30.351 30.351 29.963 0.388 25442 457 1 1 . 1 1 105 105 GLU H H 105 8.288 8.288 8.341 -0.053 25442 458 1 1 . 1 1 106 106 LEU N N 106 122.549 122.549 118.240 4.309 25442 459 1 1 . 1 1 106 106 LEU HA H 106 4.316 4.316 4.471 -0.155 25442 460 1 1 . 1 1 106 106 LEU CA C 106 55.545 55.545 55.330 0.215 25442 461 1 1 . 1 1 106 106 LEU CB C 106 42.538 42.538 42.617 -0.079 25442 462 1 1 . 1 1 106 106 LEU H H 106 8.154 8.154 7.584 0.570 25442 463 1 1 . 1 1 107 107 ASP N N 107 120.656 120.656 117.850 2.806 25442 464 1 1 . 1 1 107 107 ASP HA H 107 4.587 4.587 4.266 0.321 25442 465 1 1 . 1 1 107 107 ASP CA C 107 54.715 54.715 54.878 -0.163 25442 466 1 1 . 1 1 107 107 ASP CB C 107 41.125 41.125 39.981 1.144 25442 467 1 1 . 1 1 107 107 ASP H H 107 8.273 8.273 8.245 0.028 25442 468 1 1 . 1 1 108 108 ARG N N 108 120.710 120.710 115.240 5.470 25442 469 1 1 . 1 1 108 108 ARG HA H 108 4.272 4.272 3.857 0.415 25442 470 1 1 . 1 1 108 108 ARG CA C 108 56.778 56.778 56.734 0.044 25442 471 1 1 . 1 1 108 108 ARG CB C 108 30.835 30.835 28.249 2.586 25442 472 1 1 . 1 1 108 108 ARG H H 108 8.041 8.041 8.595 -0.554 25442 473 1 1 . 1 1 109 109 ASP N N 109 120.647 120.647 116.720 3.927 25442 474 1 1 . 1 1 109 109 ASP CA C 109 54.862 54.862 55.382 -0.520 25442 475 1 1 . 1 1 109 109 ASP H H 109 8.331 8.331 7.924 0.407 25442 476 1 1 . 1 1 110 110 ILE N N 110 120.220 120.220 114.353 5.867 25442 477 1 1 . 1 1 110 110 ILE HA H 110 4.140 4.140 3.648 0.492 25442 478 1 1 . 1 1 110 110 ILE CA C 110 61.760 61.760 61.477 0.283 25442 479 1 1 . 1 1 110 110 ILE CB C 110 38.643 38.643 35.176 3.467 25442 480 1 1 . 1 1 110 110 ILE H H 110 7.910 7.910 8.322 -0.412 25442 481 1 1 . 1 1 111 111 VAL N N 111 122.698 122.698 115.985 6.713 25442 482 1 1 . 1 1 111 111 VAL HA H 111 4.095 4.095 3.618 0.477 25442 483 1 1 . 1 1 111 111 VAL CA C 111 62.982 62.982 63.255 -0.274 25442 484 1 1 . 1 1 111 111 VAL CB C 111 32.438 32.438 29.698 2.740 25442 485 1 1 . 1 1 111 111 VAL H H 111 8.018 8.018 8.482 -0.464 25442 486 1 1 . 1 1 112 112 SER HA H 112 4.439 4.439 4.165 0.274 25442 487 1 1 . 1 1 112 112 SER CA C 112 58.581 58.581 61.183 -2.602 25442 488 1 1 . 1 1 112 112 SER CB C 112 63.717 63.717 63.409 0.308 25442 489 1 1 . 1 1 114 114 ASN HA H 114 4.690 4.690 4.395 0.295 25442 490 1 1 . 1 1 114 114 ASN CA C 114 53.462 53.462 54.654 -1.192 25442 491 1 1 . 1 1 114 114 ASN CB C 114 39.073 39.073 37.324 1.750 25442 492 1 1 . 1 1 115 115 ASN HA H 115 4.690 4.690 4.734 -0.044 25442 493 1 1 . 1 1 115 115 ASN CA C 115 53.476 53.476 52.632 0.844 25442 494 1 1 . 1 1 115 115 ASN CB C 115 39.073 39.073 37.636 1.437 25442 495 1 1 . 1 1 116 116 ALA N N 116 123.691 123.691 126.187 -2.496 25442 496 1 1 . 1 1 116 116 ALA HA H 116 4.355 4.355 4.088 0.267 25442 497 1 1 . 1 1 116 116 ALA CA C 116 52.748 52.748 52.838 -0.090 25442 498 1 1 . 1 1 116 116 ALA CB C 116 19.559 19.559 18.674 0.885 25442 499 1 1 . 1 1 116 116 ALA H H 116 8.144 8.144 8.124 0.020 25442 500 1 1 . 1 1 117 117 GLU N N 117 120.174 120.174 119.748 0.426 25442 501 1 1 . 1 1 117 117 GLU HA H 117 4.284 4.284 4.285 -0.001 25442 502 1 1 . 1 1 117 117 GLU CA C 117 56.731 56.731 55.562 1.169 25442 503 1 1 . 1 1 117 117 GLU CB C 117 29.944 29.944 30.371 -0.427 25442 504 1 1 . 1 1 117 117 GLU H H 117 8.234 8.234 8.324 -0.090 25442 505 1 2 . 1 1 2 2 ALA HA H 2 4.335 4.335 4.274 0.061 25442 506 1 2 . 1 1 2 2 ALA CA C 2 53.634 53.634 53.956 -0.322 25442 507 1 2 . 1 1 2 2 ALA CB C 2 19.441 19.441 17.020 2.421 25442 508 1 2 . 1 1 3 3 MET N N 3 120.791 120.791 117.559 3.232 25442 509 1 2 . 1 1 3 3 MET HA H 3 4.499 4.499 4.824 -0.325 25442 510 1 2 . 1 1 3 3 MET CA C 3 55.772 55.772 54.958 0.814 25442 511 1 2 . 1 1 3 3 MET CB C 3 32.968 32.968 34.193 -1.225 25442 512 1 2 . 1 1 3 3 MET H H 3 8.636 8.636 7.843 0.793 25442 513 1 2 . 1 1 4 4 GLY N N 4 109.879 109.879 109.352 0.527 25442 514 1 2 . 1 1 4 4 GLY CA C 4 45.531 45.531 45.363 0.168 25442 515 1 2 . 1 1 4 4 GLY H H 4 8.391 8.391 8.147 0.244 25442 516 1 2 . 1 1 5 5 ASN N N 5 124.309 124.309 120.633 3.676 25442 517 1 2 . 1 1 5 5 ASN HA H 5 4.661 4.661 4.462 0.199 25442 518 1 2 . 1 1 5 5 ASN CA C 5 53.419 53.419 52.710 0.709 25442 519 1 2 . 1 1 5 5 ASN CB C 5 39.059 39.059 37.542 1.517 25442 520 1 2 . 1 1 5 5 ASN H H 5 7.954 7.954 8.341 -0.387 25442 521 1 2 . 1 1 7 7 TYR N N 7 120.088 120.088 122.113 -2.025 25442 522 1 2 . 1 1 7 7 TYR HA H 7 4.463 4.463 4.671 -0.208 25442 523 1 2 . 1 1 7 7 TYR CA C 7 58.098 58.098 58.307 -0.209 25442 524 1 2 . 1 1 7 7 TYR CB C 7 38.252 38.252 39.168 -0.916 25442 525 1 2 . 1 1 7 7 TYR H H 7 8.013 8.013 8.456 -0.443 25442 526 1 2 . 1 1 8 8 LYS N N 8 121.766 121.766 121.060 0.706 25442 527 1 2 . 1 1 8 8 LYS HA H 8 4.174 4.174 4.210 -0.036 25442 528 1 2 . 1 1 8 8 LYS CA C 8 56.835 56.835 56.766 0.069 25442 529 1 2 . 1 1 8 8 LYS CB C 8 32.997 32.997 32.629 0.368 25442 530 1 2 . 1 1 8 8 LYS H H 8 7.845 7.845 7.782 0.063 25442 531 1 2 . 1 1 9 9 ASP N N 9 119.739 119.739 116.186 3.553 25442 532 1 2 . 1 1 9 9 ASP HA H 9 4.477 4.477 4.418 0.059 25442 533 1 2 . 1 1 9 9 ASP CA C 9 54.660 54.660 54.944 -0.284 25442 534 1 2 . 1 1 9 9 ASP CB C 9 41.100 41.100 39.658 1.442 25442 535 1 2 . 1 1 9 9 ASP H H 9 8.043 8.043 8.370 -0.327 25442 536 1 2 . 1 1 10 10 ASN N N 10 119.260 119.260 115.987 3.273 25442 537 1 2 . 1 1 10 10 ASN HA H 10 4.875 4.875 4.462 0.413 25442 538 1 2 . 1 1 10 10 ASN CA C 10 53.255 53.255 52.234 1.021 25442 539 1 2 . 1 1 10 10 ASN CB C 10 39.105 39.105 38.549 0.556 25442 540 1 2 . 1 1 10 10 ASN H H 10 8.174 8.174 8.010 0.164 25442 541 1 2 . 1 1 11 11 ALA N N 11 122.869 122.869 122.828 0.041 25442 542 1 2 . 1 1 11 11 ALA HA H 11 4.544 4.544 4.314 0.230 25442 543 1 2 . 1 1 11 11 ALA CA C 11 52.866 52.866 52.783 0.083 25442 544 1 2 . 1 1 11 11 ALA H H 11 8.299 8.299 7.650 0.649 25442 545 1 2 . 1 1 12 12 TYR N N 12 117.351 117.351 119.474 -2.123 25442 546 1 2 . 1 1 12 12 TYR HA H 12 5.220 5.220 5.050 0.170 25442 547 1 2 . 1 1 12 12 TYR CA C 12 57.621 57.621 56.509 1.112 25442 548 1 2 . 1 1 12 12 TYR CB C 12 41.631 41.631 42.301 -0.670 25442 549 1 2 . 1 1 12 12 TYR H H 12 8.340 8.340 7.938 0.402 25442 550 1 2 . 1 1 13 13 ILE N N 13 112.184 112.184 116.660 -4.476 25442 551 1 2 . 1 1 13 13 ILE HA H 13 5.052 5.052 5.015 0.037 25442 552 1 2 . 1 1 13 13 ILE CA C 13 59.995 59.995 59.461 0.534 25442 553 1 2 . 1 1 13 13 ILE CB C 13 40.418 40.418 40.835 -0.417 25442 554 1 2 . 1 1 13 13 ILE H H 13 9.216 9.216 8.386 0.830 25442 555 1 2 . 1 1 14 14 TYR N N 14 123.504 123.504 126.862 -3.358 25442 556 1 2 . 1 1 14 14 TYR HA H 14 4.690 4.690 4.865 -0.175 25442 557 1 2 . 1 1 14 14 TYR CA C 14 56.688 56.688 58.358 -1.669 25442 558 1 2 . 1 1 14 14 TYR CB C 14 40.564 40.564 39.392 1.173 25442 559 1 2 . 1 1 14 14 TYR H H 14 9.086 9.086 8.855 0.231 25442 560 1 2 . 1 1 15 15 ILE N N 15 127.611 127.611 129.708 -2.097 25442 561 1 2 . 1 1 15 15 ILE HA H 15 4.288 4.288 4.888 -0.600 25442 562 1 2 . 1 1 15 15 ILE CA C 15 59.654 59.654 59.987 -0.333 25442 563 1 2 . 1 1 15 15 ILE CB C 15 40.260 40.260 37.868 2.392 25442 564 1 2 . 1 1 15 15 ILE H H 15 8.448 8.448 7.414 1.034 25442 565 1 2 . 1 1 16 16 GLY N N 16 112.660 112.660 112.001 0.659 25442 566 1 2 . 1 1 16 16 GLY CA C 16 43.240 43.240 43.108 0.133 25442 567 1 2 . 1 1 16 16 GLY H H 16 9.438 9.438 8.044 1.394 25442 568 1 2 . 1 1 17 17 ASN N N 17 114.980 114.980 115.238 -0.258 25442 569 1 2 . 1 1 17 17 ASN HA H 17 4.439 4.439 4.316 0.123 25442 570 1 2 . 1 1 17 17 ASN CA C 17 53.251 53.251 54.061 -0.810 25442 571 1 2 . 1 1 17 17 ASN CB C 17 38.259 38.259 37.194 1.065 25442 572 1 2 . 1 1 17 17 ASN H H 17 8.497 8.497 8.841 -0.344 25442 573 1 2 . 1 1 18 18 LEU N N 18 115.182 115.182 120.881 -5.699 25442 574 1 2 . 1 1 18 18 LEU HA H 18 4.068 4.068 4.457 -0.389 25442 575 1 2 . 1 1 18 18 LEU CA C 18 54.073 54.073 54.847 -0.774 25442 576 1 2 . 1 1 18 18 LEU CB C 18 42.912 42.912 43.597 -0.685 25442 577 1 2 . 1 1 18 18 LEU H H 18 7.859 7.859 7.632 0.227 25442 578 1 2 . 1 1 19 19 ASN N N 19 122.392 122.392 124.741 -2.349 25442 579 1 2 . 1 1 19 19 ASN HA H 19 4.464 4.464 4.657 -0.194 25442 580 1 2 . 1 1 19 19 ASN CA C 19 54.087 54.087 53.379 0.708 25442 581 1 2 . 1 1 19 19 ASN CB C 19 38.703 38.703 38.912 -0.209 25442 582 1 2 . 1 1 19 19 ASN H H 19 8.727 8.727 8.871 -0.144 25442 583 1 2 . 1 1 20 20 ARG N N 20 126.283 126.283 125.230 1.053 25442 584 1 2 . 1 1 20 20 ARG HA H 20 3.937 3.937 4.012 -0.075 25442 585 1 2 . 1 1 20 20 ARG CA C 20 58.719 58.719 58.580 0.139 25442 586 1 2 . 1 1 20 20 ARG CB C 20 29.719 29.719 29.820 -0.101 25442 587 1 2 . 1 1 20 20 ARG H H 20 8.940 8.940 8.620 0.320 25442 588 1 2 . 1 1 21 21 GLU N N 21 117.166 117.166 118.523 -1.357 25442 589 1 2 . 1 1 21 21 GLU HA H 21 4.321 4.321 4.145 0.176 25442 590 1 2 . 1 1 21 21 GLU CA C 21 56.778 56.778 57.447 -0.669 25442 591 1 2 . 1 1 21 21 GLU H H 21 8.867 8.867 8.164 0.703 25442 592 1 2 . 1 1 22 22 LEU N N 22 119.643 119.643 120.021 -0.378 25442 593 1 2 . 1 1 22 22 LEU HA H 22 4.540 4.540 4.576 -0.036 25442 594 1 2 . 1 1 22 22 LEU CA C 22 55.505 55.505 55.217 0.288 25442 595 1 2 . 1 1 22 22 LEU CB C 22 42.251 42.251 42.183 0.068 25442 596 1 2 . 1 1 22 22 LEU H H 22 7.324 7.324 7.463 -0.139 25442 597 1 2 . 1 1 23 23 THR N N 23 114.564 114.564 117.429 -2.865 25442 598 1 2 . 1 1 23 23 THR HA H 23 4.483 4.483 4.506 -0.023 25442 599 1 2 . 1 1 23 23 THR CA C 23 60.155 60.155 59.794 0.361 25442 600 1 2 . 1 1 23 23 THR CB C 23 73.000 73.000 71.016 1.984 25442 601 1 2 . 1 1 23 23 THR H H 23 9.483 9.483 8.215 1.268 25442 602 1 2 . 1 1 24 24 GLU N N 24 120.458 120.458 120.358 0.100 25442 603 1 2 . 1 1 24 24 GLU HA H 24 3.604 3.604 4.094 -0.490 25442 604 1 2 . 1 1 24 24 GLU CA C 24 62.158 62.158 60.827 1.331 25442 605 1 2 . 1 1 24 24 GLU H H 24 10.410 10.410 8.866 1.544 25442 606 1 2 . 1 1 25 25 GLY N N 25 105.261 105.261 107.944 -2.683 25442 607 1 2 . 1 1 25 25 GLY CA C 25 47.219 47.219 47.497 -0.278 25442 608 1 2 . 1 1 25 25 GLY H H 25 8.402 8.402 8.534 -0.132 25442 609 1 2 . 1 1 26 26 ASP N N 26 122.820 122.820 122.822 -0.002 25442 610 1 2 . 1 1 26 26 ASP HA H 26 4.515 4.515 4.436 0.079 25442 611 1 2 . 1 1 26 26 ASP CA C 26 58.005 58.005 57.188 0.818 25442 612 1 2 . 1 1 26 26 ASP CB C 26 41.261 41.261 40.442 0.819 25442 613 1 2 . 1 1 26 26 ASP H H 26 7.539 7.539 8.328 -0.789 25442 614 1 2 . 1 1 27 27 ILE N N 27 118.686 118.686 120.474 -1.788 25442 615 1 2 . 1 1 27 27 ILE HA H 27 3.609 3.609 3.828 -0.219 25442 616 1 2 . 1 1 27 27 ILE CA C 27 65.348 65.348 65.331 0.017 25442 617 1 2 . 1 1 27 27 ILE CB C 27 37.789 37.789 38.015 -0.226 25442 618 1 2 . 1 1 27 27 ILE H H 27 7.832 7.832 7.897 -0.065 25442 619 1 2 . 1 1 28 28 LEU N N 28 119.737 119.737 120.803 -1.066 25442 620 1 2 . 1 1 28 28 LEU HA H 28 3.790 3.790 3.922 -0.132 25442 621 1 2 . 1 1 28 28 LEU CA C 28 59.040 59.040 58.627 0.413 25442 622 1 2 . 1 1 28 28 LEU CB C 28 42.520 42.520 41.590 0.930 25442 623 1 2 . 1 1 28 28 LEU H H 28 8.731 8.731 8.281 0.450 25442 624 1 2 . 1 1 29 29 THR N N 29 119.509 119.509 114.667 4.842 25442 625 1 2 . 1 1 29 29 THR HA H 29 4.045 4.045 4.035 0.010 25442 626 1 2 . 1 1 29 29 THR CA C 29 67.196 67.196 66.058 1.138 25442 627 1 2 . 1 1 29 29 THR CB C 29 69.194 69.194 68.266 0.928 25442 628 1 2 . 1 1 29 29 THR H H 29 8.251 8.251 8.068 0.183 25442 629 1 2 . 1 1 30 30 VAL N N 30 117.974 117.974 121.364 -3.390 25442 630 1 2 . 1 1 30 30 VAL HA H 30 3.869 3.869 3.683 0.186 25442 631 1 2 . 1 1 30 30 VAL CA C 30 65.727 65.727 66.416 -0.689 25442 632 1 2 . 1 1 30 30 VAL CB C 30 32.912 32.912 31.950 0.963 25442 633 1 2 . 1 1 30 30 VAL H H 30 7.627 7.627 7.961 -0.334 25442 634 1 2 . 1 1 31 31 PHE N N 31 113.937 113.937 117.039 -3.102 25442 635 1 2 . 1 1 31 31 PHE HA H 31 3.908 3.908 4.634 -0.726 25442 636 1 2 . 1 1 31 31 PHE CA C 31 62.044 62.044 59.942 2.102 25442 637 1 2 . 1 1 31 31 PHE CB C 31 37.217 37.217 39.176 -1.959 25442 638 1 2 . 1 1 31 31 PHE H H 31 8.903 8.903 8.402 0.501 25442 639 1 2 . 1 1 32 32 SER N N 32 118.854 118.854 116.882 1.972 25442 640 1 2 . 1 1 32 32 SER HA H 32 5.405 5.405 3.873 1.532 25442 641 1 2 . 1 1 32 32 SER CA C 32 61.282 61.282 63.055 -1.773 25442 642 1 2 . 1 1 32 32 SER CB C 32 64.055 64.055 63.019 1.036 25442 643 1 2 . 1 1 32 32 SER H H 32 8.024 8.024 8.559 -0.535 25442 644 1 2 . 1 1 33 33 GLU N N 33 121.203 121.203 120.325 0.878 25442 645 1 2 . 1 1 33 33 GLU HA H 33 2.246 2.246 3.957 -1.711 25442 646 1 2 . 1 1 33 33 GLU CA C 33 59.596 59.596 58.173 1.423 25442 647 1 2 . 1 1 33 33 GLU H H 33 6.935 6.935 8.228 -1.293 25442 648 1 2 . 1 1 34 34 TYR N N 34 108.039 108.039 119.013 -10.974 25442 649 1 2 . 1 1 34 34 TYR HA H 34 4.953 4.953 4.481 0.472 25442 650 1 2 . 1 1 34 34 TYR CA C 34 57.226 57.226 57.029 0.197 25442 651 1 2 . 1 1 34 34 TYR CB C 34 38.821 38.821 36.875 1.946 25442 652 1 2 . 1 1 34 34 TYR H H 34 6.254 6.254 7.438 -1.184 25442 653 1 2 . 1 1 35 35 GLY N N 35 103.601 103.601 107.129 -3.528 25442 654 1 2 . 1 1 35 35 GLY CA C 35 44.594 44.594 44.455 0.139 25442 655 1 2 . 1 1 35 35 GLY H H 35 7.247 7.247 7.190 0.057 25442 656 1 2 . 1 1 36 36 VAL N N 36 120.482 120.482 122.061 -1.579 25442 657 1 2 . 1 1 36 36 VAL HA H 36 4.537 4.537 4.006 0.531 25442 658 1 2 . 1 1 36 36 VAL CA C 36 59.942 59.942 61.072 -1.130 25442 659 1 2 . 1 1 36 36 VAL CB C 36 33.989 33.989 33.066 0.923 25442 660 1 2 . 1 1 36 36 VAL H H 36 8.549 8.549 7.387 1.162 25442 661 1 2 . 1 1 37 37 PRO HA H 37 4.543 4.543 4.682 -0.139 25442 662 1 2 . 1 1 37 37 PRO CA C 37 62.043 62.043 62.809 -0.766 25442 663 1 2 . 1 1 37 37 PRO CB C 37 31.531 31.531 32.146 -0.615 25442 664 1 2 . 1 1 38 38 VAL N N 38 118.566 118.566 116.111 2.455 25442 665 1 2 . 1 1 38 38 VAL HA H 38 4.439 4.439 4.305 0.134 25442 666 1 2 . 1 1 38 38 VAL CA C 38 61.064 61.064 62.709 -1.645 25442 667 1 2 . 1 1 38 38 VAL CB C 38 32.842 32.842 32.325 0.517 25442 668 1 2 . 1 1 38 38 VAL H H 38 9.099 9.099 8.297 0.802 25442 669 1 2 . 1 1 39 39 ASP N N 39 118.912 118.912 121.402 -2.490 25442 670 1 2 . 1 1 39 39 ASP HA H 39 4.920 4.920 4.951 -0.031 25442 671 1 2 . 1 1 39 39 ASP CA C 39 54.860 54.860 53.595 1.265 25442 672 1 2 . 1 1 39 39 ASP CB C 39 44.441 44.441 44.362 0.079 25442 673 1 2 . 1 1 39 39 ASP H H 39 7.300 7.300 7.746 -0.446 25442 674 1 2 . 1 1 40 40 VAL N N 40 123.365 123.365 122.154 1.211 25442 675 1 2 . 1 1 40 40 VAL HA H 40 4.759 4.759 4.722 0.037 25442 676 1 2 . 1 1 40 40 VAL CA C 40 61.259 61.259 61.108 0.151 25442 677 1 2 . 1 1 40 40 VAL CB C 40 34.464 34.464 34.000 0.464 25442 678 1 2 . 1 1 40 40 VAL H H 40 8.052 8.052 8.568 -0.516 25442 679 1 2 . 1 1 41 41 ILE N N 41 127.951 127.951 128.262 -0.311 25442 680 1 2 . 1 1 41 41 ILE HA H 41 4.361 4.361 4.281 0.080 25442 681 1 2 . 1 1 41 41 ILE CA C 41 60.204 60.204 60.573 -0.369 25442 682 1 2 . 1 1 41 41 ILE CB C 41 41.220 41.220 39.619 1.601 25442 683 1 2 . 1 1 41 41 ILE H H 41 9.031 9.031 9.223 -0.192 25442 684 1 2 . 1 1 42 42 LEU N N 42 130.034 130.034 130.061 -0.027 25442 685 1 2 . 1 1 42 42 LEU HA H 42 4.415 4.415 4.469 -0.054 25442 686 1 2 . 1 1 42 42 LEU CA C 42 53.832 53.832 53.247 0.585 25442 687 1 2 . 1 1 42 42 LEU CB C 42 44.353 44.353 41.604 2.749 25442 688 1 2 . 1 1 42 42 LEU H H 42 8.935 8.935 8.593 0.342 25442 689 1 2 . 1 1 43 43 SER N N 43 121.977 121.977 119.857 2.120 25442 690 1 2 . 1 1 43 43 SER HA H 43 4.092 4.092 4.349 -0.257 25442 691 1 2 . 1 1 43 43 SER CA C 43 59.298 59.298 58.120 1.178 25442 692 1 2 . 1 1 43 43 SER CB C 43 62.879 62.879 63.872 -0.993 25442 693 1 2 . 1 1 43 43 SER H H 43 8.088 8.088 8.056 0.032 25442 694 1 2 . 1 1 44 44 ARG N N 44 125.852 125.852 120.826 5.026 25442 695 1 2 . 1 1 44 44 ARG HA H 44 4.906 4.906 4.570 0.336 25442 696 1 2 . 1 1 44 44 ARG CA C 44 54.363 54.363 55.114 -0.751 25442 697 1 2 . 1 1 44 44 ARG CB C 44 34.095 34.095 32.995 1.100 25442 698 1 2 . 1 1 44 44 ARG H H 44 8.081 8.081 8.293 -0.212 25442 699 1 2 . 1 1 45 45 ASP N N 45 123.150 123.150 124.101 -0.951 25442 700 1 2 . 1 1 45 45 ASP HA H 45 4.425 4.425 4.740 -0.315 25442 701 1 2 . 1 1 45 45 ASP CA C 45 54.728 54.728 53.088 1.640 25442 702 1 2 . 1 1 45 45 ASP CB C 45 43.318 43.318 42.629 0.689 25442 703 1 2 . 1 1 45 45 ASP H H 45 8.594 8.594 8.306 0.288 25442 704 1 2 . 1 1 46 46 GLU N N 46 127.786 127.786 126.096 1.690 25442 705 1 2 . 1 1 46 46 GLU HA H 46 4.048 4.048 4.039 0.009 25442 706 1 2 . 1 1 46 46 GLU CA C 46 59.018 59.018 58.380 0.638 25442 707 1 2 . 1 1 46 46 GLU CB C 46 29.870 29.870 29.172 0.698 25442 708 1 2 . 1 1 46 46 GLU H H 46 9.250 9.250 8.919 0.331 25442 709 1 2 . 1 1 47 47 ASN N N 47 116.105 116.105 118.593 -2.488 25442 710 1 2 . 1 1 47 47 ASN HA H 47 4.825 4.825 4.564 0.261 25442 711 1 2 . 1 1 47 47 ASN CA C 47 55.321 55.321 55.464 -0.143 25442 712 1 2 . 1 1 47 47 ASN CB C 47 39.927 39.927 38.938 0.989 25442 713 1 2 . 1 1 47 47 ASN H H 47 8.857 8.857 9.271 -0.414 25442 714 1 2 . 1 1 48 48 THR N N 48 108.395 108.395 109.640 -1.245 25442 715 1 2 . 1 1 48 48 THR HA H 48 4.461 4.461 4.497 -0.036 25442 716 1 2 . 1 1 48 48 THR CA C 48 61.883 61.883 62.374 -0.491 25442 717 1 2 . 1 1 48 48 THR CB C 48 71.194 71.194 70.816 0.379 25442 718 1 2 . 1 1 48 48 THR H H 48 8.539 8.539 7.554 0.985 25442 719 1 2 . 1 1 49 49 GLY N N 49 110.910 110.910 112.784 -1.874 25442 720 1 2 . 1 1 49 49 GLY CA C 49 45.706 45.706 45.984 -0.279 25442 721 1 2 . 1 1 49 49 GLY H H 49 8.293 8.293 8.765 -0.472 25442 722 1 2 . 1 1 50 50 GLU N N 50 120.328 120.328 114.791 5.537 25442 723 1 2 . 1 1 50 50 GLU HA H 50 4.162 4.162 4.431 -0.269 25442 724 1 2 . 1 1 50 50 GLU CA C 50 56.540 56.540 55.335 1.205 25442 725 1 2 . 1 1 50 50 GLU CB C 50 30.948 30.948 31.848 -0.900 25442 726 1 2 . 1 1 50 50 GLU H H 50 7.854 7.854 8.171 -0.317 25442 727 1 2 . 1 1 51 51 SER N N 51 117.235 117.235 116.949 0.286 25442 728 1 2 . 1 1 51 51 SER HA H 51 4.391 4.391 4.421 -0.030 25442 729 1 2 . 1 1 51 51 SER CA C 51 58.361 58.361 58.509 -0.148 25442 730 1 2 . 1 1 51 51 SER CB C 51 64.438 64.438 65.273 -0.835 25442 731 1 2 . 1 1 51 51 SER H H 51 8.950 8.950 8.304 0.646 25442 732 1 2 . 1 1 52 52 GLN N N 52 122.996 122.996 124.806 -1.810 25442 733 1 2 . 1 1 52 52 GLN HA H 52 4.516 4.516 4.153 0.363 25442 734 1 2 . 1 1 52 52 GLN CA C 52 55.406 55.406 56.449 -1.043 25442 735 1 2 . 1 1 52 52 GLN CB C 52 29.624 29.624 30.021 -0.397 25442 736 1 2 . 1 1 52 52 GLN H H 52 8.929 8.929 8.397 0.532 25442 737 1 2 . 1 1 53 53 GLY N N 53 106.139 106.139 106.484 -0.345 25442 738 1 2 . 1 1 53 53 GLY CA C 53 46.434 46.434 45.212 1.222 25442 739 1 2 . 1 1 53 53 GLY H H 53 8.876 8.876 8.347 0.529 25442 740 1 2 . 1 1 54 54 PHE N N 54 112.294 112.294 114.994 -2.700 25442 741 1 2 . 1 1 54 54 PHE HA H 54 5.436 5.436 5.495 -0.059 25442 742 1 2 . 1 1 54 54 PHE CA C 54 55.464 55.464 54.838 0.626 25442 743 1 2 . 1 1 54 54 PHE CB C 54 41.207 41.207 40.806 0.401 25442 744 1 2 . 1 1 54 54 PHE H H 54 6.938 6.938 6.815 0.123 25442 745 1 2 . 1 1 55 55 ALA N N 55 121.935 121.935 120.082 1.853 25442 746 1 2 . 1 1 55 55 ALA HA H 55 5.051 5.051 4.057 0.994 25442 747 1 2 . 1 1 55 55 ALA CA C 55 49.517 49.517 51.246 -1.729 25442 748 1 2 . 1 1 55 55 ALA CB C 55 24.966 24.966 22.136 2.830 25442 749 1 2 . 1 1 55 55 ALA H H 55 9.098 9.098 7.661 1.437 25442 750 1 2 . 1 1 56 56 TYR N N 56 114.799 114.799 116.884 -2.085 25442 751 1 2 . 1 1 56 56 TYR HA H 56 5.652 5.652 5.293 0.359 25442 752 1 2 . 1 1 56 56 TYR CA C 56 56.128 56.128 56.143 -0.015 25442 753 1 2 . 1 1 56 56 TYR CB C 56 42.405 42.405 40.923 1.482 25442 754 1 2 . 1 1 56 56 TYR H H 56 8.572 8.572 8.012 0.560 25442 755 1 2 . 1 1 57 57 LEU N N 57 123.129 123.129 118.897 4.232 25442 756 1 2 . 1 1 57 57 LEU HA H 57 5.100 5.100 5.540 -0.440 25442 757 1 2 . 1 1 57 57 LEU CA C 57 54.552 54.552 53.778 0.774 25442 758 1 2 . 1 1 57 57 LEU H H 57 8.600 8.600 8.756 -0.156 25442 759 1 2 . 1 1 58 58 LYS N N 58 126.556 126.556 118.307 8.249 25442 760 1 2 . 1 1 58 58 LYS HA H 58 4.553 4.553 4.787 -0.234 25442 761 1 2 . 1 1 58 58 LYS CA C 58 54.518 54.518 54.746 -0.228 25442 762 1 2 . 1 1 58 58 LYS CB C 58 36.254 36.254 35.791 0.463 25442 763 1 2 . 1 1 58 58 LYS H H 58 8.389 8.389 8.231 0.158 25442 764 1 2 . 1 1 59 59 TYR N N 59 126.761 126.761 124.429 2.332 25442 765 1 2 . 1 1 59 59 TYR HA H 59 5.061 5.061 4.656 0.405 25442 766 1 2 . 1 1 59 59 TYR CA C 59 58.271 58.271 56.778 1.493 25442 767 1 2 . 1 1 59 59 TYR H H 59 9.035 9.035 8.561 0.474 25442 768 1 2 . 1 1 60 60 GLU N N 60 120.097 120.097 119.243 0.854 25442 769 1 2 . 1 1 60 60 GLU HA H 60 3.890 3.890 3.812 0.078 25442 770 1 2 . 1 1 60 60 GLU CA C 60 59.244 59.244 57.888 1.356 25442 771 1 2 . 1 1 60 60 GLU CB C 60 31.145 31.145 29.592 1.553 25442 772 1 2 . 1 1 60 60 GLU H H 60 8.796 8.796 7.289 1.507 25442 773 1 2 . 1 1 61 61 ASP N N 61 117.697 117.697 118.231 -0.534 25442 774 1 2 . 1 1 61 61 ASP HA H 61 4.842 4.842 4.697 0.145 25442 775 1 2 . 1 1 61 61 ASP CA C 61 51.550 51.550 53.302 -1.752 25442 776 1 2 . 1 1 61 61 ASP CB C 61 43.258 43.258 41.251 2.007 25442 777 1 2 . 1 1 61 61 ASP H H 61 8.006 8.006 7.538 0.468 25442 778 1 2 . 1 1 62 62 GLN N N 62 126.321 126.321 125.985 0.336 25442 779 1 2 . 1 1 62 62 GLN HA H 62 4.223 4.223 4.104 0.119 25442 780 1 2 . 1 1 62 62 GLN CA C 62 58.637 58.637 59.230 -0.592 25442 781 1 2 . 1 1 62 62 GLN CB C 62 27.994 27.994 29.090 -1.095 25442 782 1 2 . 1 1 62 62 GLN H H 62 9.053 9.053 8.931 0.122 25442 783 1 2 . 1 1 63 63 ARG N N 63 121.086 121.086 119.234 1.852 25442 784 1 2 . 1 1 63 63 ARG HA H 63 3.654 3.654 4.117 -0.463 25442 785 1 2 . 1 1 63 63 ARG CA C 63 58.971 58.971 59.266 -0.295 25442 786 1 2 . 1 1 63 63 ARG H H 63 8.960 8.960 8.610 0.350 25442 787 1 2 . 1 1 64 64 SER N N 64 114.891 114.891 114.954 -0.063 25442 788 1 2 . 1 1 64 64 SER HA H 64 3.704 3.704 4.307 -0.603 25442 789 1 2 . 1 1 64 64 SER CA C 64 63.589 63.589 61.362 2.227 25442 790 1 2 . 1 1 64 64 SER H H 64 8.143 8.143 7.878 0.265 25442 791 1 2 . 1 1 65 65 THR N N 65 111.019 111.019 114.601 -3.582 25442 792 1 2 . 1 1 65 65 THR HA H 65 3.765 3.765 4.240 -0.475 25442 793 1 2 . 1 1 65 65 THR CA C 65 66.198 66.198 65.317 0.881 25442 794 1 2 . 1 1 65 65 THR CB C 65 68.461 68.461 68.954 -0.493 25442 795 1 2 . 1 1 65 65 THR H H 65 7.633 7.633 8.010 -0.377 25442 796 1 2 . 1 1 66 66 ILE N N 66 123.242 123.242 122.293 0.949 25442 797 1 2 . 1 1 66 66 ILE HA H 66 3.673 3.673 3.848 -0.175 25442 798 1 2 . 1 1 66 66 ILE CA C 66 64.506 64.506 65.056 -0.550 25442 799 1 2 . 1 1 66 66 ILE CB C 66 38.668 38.668 37.696 0.972 25442 800 1 2 . 1 1 66 66 ILE H H 66 6.648 6.648 7.916 -1.268 25442 801 1 2 . 1 1 67 67 LEU N N 67 113.375 113.375 120.194 -6.819 25442 802 1 2 . 1 1 67 67 LEU HA H 67 3.627 3.627 3.874 -0.247 25442 803 1 2 . 1 1 67 67 LEU CA C 67 57.678 57.678 58.222 -0.544 25442 804 1 2 . 1 1 67 67 LEU CB C 67 41.866 41.866 41.539 0.327 25442 805 1 2 . 1 1 67 67 LEU H H 67 6.899 6.899 7.596 -0.697 25442 806 1 2 . 1 1 68 68 ALA N N 68 120.327 120.327 120.174 0.153 25442 807 1 2 . 1 1 68 68 ALA HA H 68 3.406 3.406 3.621 -0.215 25442 808 1 2 . 1 1 68 68 ALA CA C 68 55.643 55.643 54.823 0.820 25442 809 1 2 . 1 1 68 68 ALA CB C 68 19.395 19.395 18.435 0.960 25442 810 1 2 . 1 1 68 68 ALA H H 68 8.201 8.201 7.706 0.495 25442 811 1 2 . 1 1 69 69 VAL N N 69 118.977 118.977 116.851 2.126 25442 812 1 2 . 1 1 69 69 VAL HA H 69 3.221 3.221 3.762 -0.541 25442 813 1 2 . 1 1 69 69 VAL CA C 69 67.039 67.039 65.821 1.218 25442 814 1 2 . 1 1 69 69 VAL CB C 69 31.896 31.896 31.602 0.294 25442 815 1 2 . 1 1 69 69 VAL H H 69 8.235 8.235 7.840 0.395 25442 816 1 2 . 1 1 70 70 ASP N N 70 116.894 116.894 118.268 -1.374 25442 817 1 2 . 1 1 70 70 ASP HA H 70 3.941 3.941 4.699 -0.758 25442 818 1 2 . 1 1 70 70 ASP CA C 70 57.576 57.576 55.669 1.907 25442 819 1 2 . 1 1 70 70 ASP CB C 70 39.037 39.037 41.491 -2.454 25442 820 1 2 . 1 1 70 70 ASP H H 70 8.152 8.152 8.274 -0.122 25442 821 1 2 . 1 1 71 71 ASN N N 71 110.936 110.936 116.945 -6.009 25442 822 1 2 . 1 1 71 71 ASN HA H 71 5.009 5.009 4.616 0.393 25442 823 1 2 . 1 1 71 71 ASN CA C 71 55.710 55.710 54.330 1.380 25442 824 1 2 . 1 1 71 71 ASN CB C 71 42.091 42.091 39.668 2.423 25442 825 1 2 . 1 1 71 71 ASN H H 71 7.562 7.562 7.894 -0.332 25442 826 1 2 . 1 1 72 72 LEU N N 72 116.460 116.460 121.280 -4.820 25442 827 1 2 . 1 1 72 72 LEU HA H 72 4.686 4.686 4.236 0.450 25442 828 1 2 . 1 1 72 72 LEU CA C 72 54.411 54.411 54.349 0.062 25442 829 1 2 . 1 1 72 72 LEU CB C 72 42.477 42.477 41.615 0.862 25442 830 1 2 . 1 1 72 72 LEU H H 72 8.406 8.406 7.561 0.845 25442 831 1 2 . 1 1 73 73 ASN N N 73 118.618 118.618 118.570 0.048 25442 832 1 2 . 1 1 73 73 ASN HA H 73 4.419 4.419 4.706 -0.287 25442 833 1 2 . 1 1 73 73 ASN CA C 73 56.716 56.716 53.589 3.127 25442 834 1 2 . 1 1 73 73 ASN CB C 73 39.452 39.452 38.255 1.198 25442 835 1 2 . 1 1 73 73 ASN H H 73 6.956 6.956 7.463 -0.507 25442 836 1 2 . 1 1 74 74 GLY N N 74 116.095 116.095 114.153 1.942 25442 837 1 2 . 1 1 74 74 GLY CA C 74 45.912 45.912 45.672 0.240 25442 838 1 2 . 1 1 74 74 GLY H H 74 9.379 9.379 8.367 1.012 25442 839 1 2 . 1 1 75 75 PHE N N 75 123.354 123.354 120.978 2.376 25442 840 1 2 . 1 1 75 75 PHE HA H 75 4.311 4.311 4.361 -0.050 25442 841 1 2 . 1 1 75 75 PHE CA C 75 58.979 58.979 56.922 2.057 25442 842 1 2 . 1 1 75 75 PHE CB C 75 41.709 41.709 39.847 1.862 25442 843 1 2 . 1 1 75 75 PHE H H 75 8.211 8.211 7.725 0.486 25442 844 1 2 . 1 1 76 76 LYS N N 76 127.267 127.267 128.691 -1.424 25442 845 1 2 . 1 1 76 76 LYS HA H 76 4.598 4.598 4.200 0.398 25442 846 1 2 . 1 1 76 76 LYS CA C 76 56.529 56.529 56.410 0.119 25442 847 1 2 . 1 1 76 76 LYS CB C 76 33.073 33.073 32.145 0.928 25442 848 1 2 . 1 1 76 76 LYS H H 76 7.648 7.648 7.995 -0.347 25442 849 1 2 . 1 1 77 77 ILE N N 77 121.576 121.576 126.390 -4.814 25442 850 1 2 . 1 1 77 77 ILE HA H 77 4.406 4.406 4.141 0.265 25442 851 1 2 . 1 1 77 77 ILE CA C 77 60.214 60.214 60.713 -0.499 25442 852 1 2 . 1 1 77 77 ILE CB C 77 40.048 40.048 40.603 -0.555 25442 853 1 2 . 1 1 77 77 ILE H H 77 8.100 8.100 8.689 -0.589 25442 854 1 2 . 1 1 78 78 GLY CA C 78 47.118 47.118 45.252 1.866 25442 855 1 2 . 1 1 79 79 GLY CA C 79 45.171 45.171 44.766 0.405 25442 856 1 2 . 1 1 80 80 ARG N N 80 119.377 119.377 119.686 -0.309 25442 857 1 2 . 1 1 80 80 ARG HA H 80 4.650 4.650 4.531 0.119 25442 858 1 2 . 1 1 80 80 ARG CA C 80 54.849 54.849 54.218 0.631 25442 859 1 2 . 1 1 80 80 ARG CB C 80 33.411 33.411 33.787 -0.376 25442 860 1 2 . 1 1 80 80 ARG H H 80 7.379 7.379 7.440 -0.061 25442 861 1 2 . 1 1 81 81 ALA N N 81 126.782 126.782 124.717 2.065 25442 862 1 2 . 1 1 81 81 ALA HA H 81 4.137 4.137 4.977 -0.840 25442 863 1 2 . 1 1 81 81 ALA CA C 81 51.454 51.454 51.155 0.299 25442 864 1 2 . 1 1 81 81 ALA CB C 81 19.131 19.131 19.854 -0.723 25442 865 1 2 . 1 1 81 81 ALA H H 81 8.734 8.734 8.402 0.332 25442 866 1 2 . 1 1 82 82 LEU N N 82 125.769 125.769 120.163 5.606 25442 867 1 2 . 1 1 82 82 LEU HA H 82 4.390 4.390 4.911 -0.521 25442 868 1 2 . 1 1 82 82 LEU CA C 82 56.196 56.196 53.637 2.559 25442 869 1 2 . 1 1 82 82 LEU CB C 82 43.362 43.362 43.042 0.320 25442 870 1 2 . 1 1 82 82 LEU H H 82 8.736 8.736 7.788 0.948 25442 871 1 2 . 1 1 83 83 LYS N N 83 123.851 123.851 122.007 1.844 25442 872 1 2 . 1 1 83 83 LYS HA H 83 5.005 5.005 4.648 0.357 25442 873 1 2 . 1 1 83 83 LYS CA C 83 54.790 54.790 55.157 -0.367 25442 874 1 2 . 1 1 83 83 LYS CB C 83 34.212 34.212 34.237 -0.025 25442 875 1 2 . 1 1 83 83 LYS H H 83 7.838 7.838 8.053 -0.215 25442 876 1 2 . 1 1 84 84 ILE N N 84 125.629 125.629 127.994 -2.365 25442 877 1 2 . 1 1 84 84 ILE HA H 84 5.576 5.576 4.737 0.839 25442 878 1 2 . 1 1 84 84 ILE CA C 84 58.513 58.513 58.749 -0.236 25442 879 1 2 . 1 1 84 84 ILE CB C 84 40.310 40.310 37.029 3.281 25442 880 1 2 . 1 1 84 84 ILE H H 84 8.727 8.727 8.629 0.098 25442 881 1 2 . 1 1 85 85 ASP N N 85 124.427 124.427 127.708 -3.281 25442 882 1 2 . 1 1 85 85 ASP HA H 85 5.094 5.094 4.716 0.378 25442 883 1 2 . 1 1 85 85 ASP CA C 85 52.697 52.697 51.888 0.809 25442 884 1 2 . 1 1 85 85 ASP CB C 85 45.574 45.574 44.640 0.934 25442 885 1 2 . 1 1 85 85 ASP H H 85 8.960 8.960 8.242 0.718 25442 886 1 2 . 1 1 86 86 HIS N N 86 121.356 121.356 119.773 1.583 25442 887 1 2 . 1 1 86 86 HIS HA H 86 4.635 4.635 4.793 -0.158 25442 888 1 2 . 1 1 86 86 HIS CA C 86 58.158 58.158 56.189 1.969 25442 889 1 2 . 1 1 86 86 HIS CB C 86 31.368 31.368 30.636 0.732 25442 890 1 2 . 1 1 86 86 HIS H H 86 8.783 8.783 8.491 0.292 25442 891 1 2 . 1 1 87 87 THR N N 87 114.331 114.331 117.038 -2.707 25442 892 1 2 . 1 1 87 87 THR HA H 87 4.691 4.691 4.409 0.282 25442 893 1 2 . 1 1 87 87 THR CA C 87 60.890 60.890 60.256 0.634 25442 894 1 2 . 1 1 87 87 THR CB C 87 70.215 70.215 71.189 -0.974 25442 895 1 2 . 1 1 87 87 THR H H 87 8.032 8.032 8.837 -0.805 25442 896 1 2 . 1 1 88 88 PHE N N 88 118.673 118.673 125.081 -6.408 25442 897 1 2 . 1 1 88 88 PHE HA H 88 4.305 4.305 4.924 -0.619 25442 898 1 2 . 1 1 88 88 PHE CA C 88 58.926 58.926 55.886 3.040 25442 899 1 2 . 1 1 88 88 PHE CB C 88 39.673 39.673 38.124 1.549 25442 900 1 2 . 1 1 88 88 PHE H H 88 8.233 8.233 8.545 -0.312 25442 901 1 2 . 1 1 89 89 TYR N N 89 124.182 124.182 120.590 3.592 25442 902 1 2 . 1 1 89 89 TYR HA H 89 4.193 4.193 4.363 -0.170 25442 903 1 2 . 1 1 89 89 TYR CA C 89 58.510 58.510 57.015 1.495 25442 904 1 2 . 1 1 89 89 TYR CB C 89 39.993 39.993 38.700 1.293 25442 905 1 2 . 1 1 89 89 TYR H H 89 8.246 8.246 7.673 0.573 25442 906 1 2 . 1 1 90 90 ARG N N 90 125.111 125.111 125.481 -0.370 25442 907 1 2 . 1 1 90 90 ARG HA H 90 4.219 4.219 4.205 0.014 25442 908 1 2 . 1 1 90 90 ARG CA C 90 52.511 52.511 54.867 -2.356 25442 909 1 2 . 1 1 90 90 ARG CB C 90 31.298 31.298 29.555 1.743 25442 910 1 2 . 1 1 90 90 ARG H H 90 7.223 7.223 8.542 -1.319 25442 911 1 2 . 1 1 91 91 PRO HA H 91 4.028 4.028 4.510 -0.482 25442 912 1 2 . 1 1 91 91 PRO CA C 91 62.759 62.759 62.083 0.676 25442 913 1 2 . 1 1 91 91 PRO CB C 91 32.074 32.074 32.636 -0.562 25442 914 1 2 . 1 1 94 94 SER HA H 94 4.466 4.466 4.566 -0.100 25442 915 1 2 . 1 1 94 94 SER CA C 94 58.273 58.273 58.213 0.060 25442 916 1 2 . 1 1 94 94 SER CB C 94 63.656 63.656 63.597 0.059 25442 917 1 2 . 1 1 95 95 LEU HA H 95 4.369 4.369 4.714 -0.345 25442 918 1 2 . 1 1 95 95 LEU CA C 95 55.482 55.482 55.651 -0.169 25442 919 1 2 . 1 1 95 95 LEU CB C 95 42.350 42.350 42.610 -0.260 25442 920 1 2 . 1 1 97 97 LYS HA H 97 4.197 4.197 4.334 -0.137 25442 921 1 2 . 1 1 97 97 LYS CA C 97 56.923 56.923 56.094 0.829 25442 922 1 2 . 1 1 97 97 LYS CB C 97 32.936 32.936 31.960 0.976 25442 923 1 2 . 1 1 98 98 TYR N N 98 120.486 120.486 118.019 2.467 25442 924 1 2 . 1 1 98 98 TYR HA H 98 4.477 4.477 4.459 0.018 25442 925 1 2 . 1 1 98 98 TYR CA C 98 58.249 58.249 58.446 -0.197 25442 926 1 2 . 1 1 98 98 TYR CB C 98 38.659 38.659 38.544 0.115 25442 927 1 2 . 1 1 98 98 TYR H H 98 7.979 7.979 8.119 -0.140 25442 928 1 2 . 1 1 99 99 TYR N N 99 120.784 120.784 124.935 -4.151 25442 929 1 2 . 1 1 99 99 TYR HA H 99 4.455 4.455 4.548 -0.093 25442 930 1 2 . 1 1 99 99 TYR CA C 99 58.281 58.281 58.737 -0.456 25442 931 1 2 . 1 1 99 99 TYR CB C 99 38.902 38.902 39.842 -0.940 25442 932 1 2 . 1 1 99 99 TYR H H 99 7.918 7.918 8.401 -0.483 25442 933 1 2 . 1 1 100 100 GLU N N 100 122.033 122.033 120.929 1.104 25442 934 1 2 . 1 1 100 100 GLU HA H 100 4.171 4.171 4.198 -0.027 25442 935 1 2 . 1 1 100 100 GLU CA C 100 56.766 56.766 58.480 -1.714 25442 936 1 2 . 1 1 100 100 GLU H H 100 8.055 8.055 8.797 -0.742 25442 937 1 2 . 1 1 101 101 ALA N N 101 124.629 124.629 118.340 6.289 25442 938 1 2 . 1 1 101 101 ALA HA H 101 4.283 4.283 4.535 -0.252 25442 939 1 2 . 1 1 101 101 ALA CA C 101 52.795 52.795 53.955 -1.160 25442 940 1 2 . 1 1 101 101 ALA CB C 101 19.150 19.150 19.054 0.096 25442 941 1 2 . 1 1 101 101 ALA H H 101 8.040 8.040 8.175 -0.135 25442 942 1 2 . 1 1 102 102 VAL N N 102 119.031 119.031 110.996 8.035 25442 943 1 2 . 1 1 102 102 VAL HA H 102 4.039 4.039 4.343 -0.304 25442 944 1 2 . 1 1 102 102 VAL CA C 102 62.675 62.675 62.293 0.382 25442 945 1 2 . 1 1 102 102 VAL CB C 102 32.610 32.610 32.370 0.240 25442 946 1 2 . 1 1 102 102 VAL H H 102 7.960 7.960 7.303 0.657 25442 947 1 2 . 1 1 103 103 LYS N N 103 124.562 124.562 121.902 2.660 25442 948 1 2 . 1 1 103 103 LYS HA H 103 4.258 4.258 4.105 0.153 25442 949 1 2 . 1 1 103 103 LYS CA C 103 56.797 56.797 58.782 -1.985 25442 950 1 2 . 1 1 103 103 LYS CB C 103 33.012 33.012 32.520 0.492 25442 951 1 2 . 1 1 103 103 LYS H H 103 8.207 8.207 7.668 0.539 25442 952 1 2 . 1 1 104 104 GLU N N 104 121.722 121.722 116.186 5.536 25442 953 1 2 . 1 1 104 104 GLU HA H 104 4.263 4.263 4.669 -0.406 25442 954 1 2 . 1 1 104 104 GLU CA C 104 57.034 57.034 55.697 1.337 25442 955 1 2 . 1 1 104 104 GLU CB C 104 30.351 30.351 29.617 0.734 25442 956 1 2 . 1 1 104 104 GLU H H 104 8.325 8.325 8.548 -0.223 25442 957 1 2 . 1 1 105 105 GLU N N 105 121.479 121.479 122.540 -1.061 25442 958 1 2 . 1 1 105 105 GLU HA H 105 4.264 4.264 4.054 0.210 25442 959 1 2 . 1 1 105 105 GLU CA C 105 56.802 56.802 59.911 -3.109 25442 960 1 2 . 1 1 105 105 GLU CB C 105 30.351 30.351 29.476 0.875 25442 961 1 2 . 1 1 105 105 GLU H H 105 8.288 8.288 8.442 -0.154 25442 962 1 2 . 1 1 106 106 LEU N N 106 122.549 122.549 118.702 3.847 25442 963 1 2 . 1 1 106 106 LEU HA H 106 4.316 4.316 4.071 0.245 25442 964 1 2 . 1 1 106 106 LEU CA C 106 55.545 55.545 57.233 -1.688 25442 965 1 2 . 1 1 106 106 LEU CB C 106 42.538 42.538 41.900 0.638 25442 966 1 2 . 1 1 106 106 LEU H H 106 8.154 8.154 8.084 0.070 25442 967 1 2 . 1 1 107 107 ASP N N 107 120.656 120.656 117.146 3.510 25442 968 1 2 . 1 1 107 107 ASP HA H 107 4.587 4.587 4.394 0.193 25442 969 1 2 . 1 1 107 107 ASP CA C 107 54.715 54.715 56.529 -1.814 25442 970 1 2 . 1 1 107 107 ASP CB C 107 41.125 41.125 41.416 -0.291 25442 971 1 2 . 1 1 107 107 ASP H H 107 8.273 8.273 8.155 0.118 25442 972 1 2 . 1 1 108 108 ARG N N 108 120.710 120.710 116.431 4.279 25442 973 1 2 . 1 1 108 108 ARG HA H 108 4.272 4.272 3.922 0.350 25442 974 1 2 . 1 1 108 108 ARG CA C 108 56.778 56.778 58.777 -1.999 25442 975 1 2 . 1 1 108 108 ARG CB C 108 30.835 30.835 28.916 1.919 25442 976 1 2 . 1 1 108 108 ARG H H 108 8.041 8.041 8.425 -0.384 25442 977 1 2 . 1 1 109 109 ASP N N 109 120.647 120.647 118.896 1.751 25442 978 1 2 . 1 1 109 109 ASP CA C 109 54.862 54.862 54.382 0.480 25442 979 1 2 . 1 1 109 109 ASP H H 109 8.331 8.331 8.288 0.043 25442 980 1 2 . 1 1 110 110 ILE N N 110 120.220 120.220 121.163 -0.943 25442 981 1 2 . 1 1 110 110 ILE HA H 110 4.140 4.140 4.046 0.094 25442 982 1 2 . 1 1 110 110 ILE CA C 110 61.760 61.760 62.434 -0.674 25442 983 1 2 . 1 1 110 110 ILE CB C 110 38.643 38.643 38.543 0.100 25442 984 1 2 . 1 1 110 110 ILE H H 110 7.910 7.910 7.831 0.079 25442 985 1 2 . 1 1 111 111 VAL N N 111 122.698 122.698 120.871 1.827 25442 986 1 2 . 1 1 111 111 VAL HA H 111 4.095 4.095 3.808 0.287 25442 987 1 2 . 1 1 111 111 VAL CA C 111 62.982 62.982 63.652 -0.670 25442 988 1 2 . 1 1 111 111 VAL CB C 111 32.438 32.438 32.417 0.021 25442 989 1 2 . 1 1 111 111 VAL H H 111 8.018 8.018 7.919 0.099 25442 990 1 2 . 1 1 112 112 SER HA H 112 4.439 4.439 4.274 0.166 25442 991 1 2 . 1 1 112 112 SER CA C 112 58.581 58.581 59.996 -1.415 25442 992 1 2 . 1 1 112 112 SER CB C 112 63.717 63.717 63.465 0.251 25442 993 1 2 . 1 1 114 114 ASN HA H 114 4.690 4.690 4.707 -0.017 25442 994 1 2 . 1 1 114 114 ASN CA C 114 53.462 53.462 52.647 0.815 25442 995 1 2 . 1 1 114 114 ASN CB C 114 39.073 39.073 38.606 0.467 25442 996 1 2 . 1 1 115 115 ASN HA H 115 4.690 4.690 4.414 0.276 25442 997 1 2 . 1 1 115 115 ASN CA C 115 53.476 53.476 53.260 0.216 25442 998 1 2 . 1 1 115 115 ASN CB C 115 39.073 39.073 37.152 1.921 25442 999 1 2 . 1 1 116 116 ALA N N 116 123.691 123.691 121.362 2.329 25442 1000 1 2 . 1 1 116 116 ALA HA H 116 4.355 4.355 3.949 0.406 25442 1001 1 2 . 1 1 116 116 ALA CA C 116 52.748 52.748 54.698 -1.950 25442 1002 1 2 . 1 1 116 116 ALA CB C 116 19.559 19.559 18.899 0.660 25442 1003 1 2 . 1 1 116 116 ALA H H 116 8.144 8.144 8.568 -0.424 25442 1004 1 2 . 1 1 117 117 GLU N N 117 120.174 120.174 117.027 3.147 25442 1005 1 2 . 1 1 117 117 GLU HA H 117 4.284 4.284 4.069 0.215 25442 1006 1 2 . 1 1 117 117 GLU CA C 117 56.731 56.731 57.000 -0.269 25442 1007 1 2 . 1 1 117 117 GLU CB C 117 29.944 29.944 29.732 0.212 25442 1008 1 2 . 1 1 117 117 GLU H H 117 8.234 8.234 8.737 -0.503 25442 1009 1 3 . 1 1 2 2 ALA HA H 2 4.335 4.335 3.749 0.586 25442 1010 1 3 . 1 1 2 2 ALA CA C 2 53.634 53.634 53.614 0.020 25442 1011 1 3 . 1 1 2 2 ALA CB C 2 19.441 19.441 18.053 1.388 25442 1012 1 3 . 1 1 3 3 MET N N 3 120.791 120.791 117.125 3.666 25442 1013 1 3 . 1 1 3 3 MET HA H 3 4.499 4.499 3.937 0.562 25442 1014 1 3 . 1 1 3 3 MET CA C 3 55.772 55.772 57.071 -1.299 25442 1015 1 3 . 1 1 3 3 MET CB C 3 32.968 32.968 31.188 1.780 25442 1016 1 3 . 1 1 3 3 MET H H 3 8.636 8.636 8.445 0.191 25442 1017 1 3 . 1 1 4 4 GLY N N 4 109.879 109.879 105.052 4.827 25442 1018 1 3 . 1 1 4 4 GLY CA C 4 45.531 45.531 44.693 0.838 25442 1019 1 3 . 1 1 4 4 GLY H H 4 8.391 8.391 8.310 0.081 25442 1020 1 3 . 1 1 5 5 ASN N N 5 124.309 124.309 116.738 7.571 25442 1021 1 3 . 1 1 5 5 ASN HA H 5 4.661 4.661 4.233 0.428 25442 1022 1 3 . 1 1 5 5 ASN CA C 5 53.419 53.419 53.740 -0.321 25442 1023 1 3 . 1 1 5 5 ASN CB C 5 39.059 39.059 37.135 1.924 25442 1024 1 3 . 1 1 5 5 ASN H H 5 7.954 7.954 8.279 -0.325 25442 1025 1 3 . 1 1 7 7 TYR N N 7 120.088 120.088 111.432 8.656 25442 1026 1 3 . 1 1 7 7 TYR HA H 7 4.463 4.463 4.037 0.426 25442 1027 1 3 . 1 1 7 7 TYR CA C 7 58.098 58.098 58.922 -0.824 25442 1028 1 3 . 1 1 7 7 TYR CB C 7 38.252 38.252 35.922 2.330 25442 1029 1 3 . 1 1 7 7 TYR H H 7 8.013 8.013 7.517 0.496 25442 1030 1 3 . 1 1 8 8 LYS N N 8 121.766 121.766 113.005 8.761 25442 1031 1 3 . 1 1 8 8 LYS HA H 8 4.174 4.174 4.058 0.116 25442 1032 1 3 . 1 1 8 8 LYS CA C 8 56.835 56.835 57.458 -0.623 25442 1033 1 3 . 1 1 8 8 LYS CB C 8 32.997 32.997 30.579 2.418 25442 1034 1 3 . 1 1 8 8 LYS H H 8 7.845 7.845 7.576 0.269 25442 1035 1 3 . 1 1 9 9 ASP N N 9 119.739 119.739 116.241 3.498 25442 1036 1 3 . 1 1 9 9 ASP HA H 9 4.477 4.477 4.719 -0.242 25442 1037 1 3 . 1 1 9 9 ASP CA C 9 54.660 54.660 53.672 0.988 25442 1038 1 3 . 1 1 9 9 ASP CB C 9 41.100 41.100 40.752 0.348 25442 1039 1 3 . 1 1 9 9 ASP H H 9 8.043 8.043 8.192 -0.149 25442 1040 1 3 . 1 1 10 10 ASN N N 10 119.260 119.260 117.680 1.580 25442 1041 1 3 . 1 1 10 10 ASN HA H 10 4.875 4.875 4.875 0.000 25442 1042 1 3 . 1 1 10 10 ASN CA C 10 53.255 53.255 52.691 0.564 25442 1043 1 3 . 1 1 10 10 ASN CB C 10 39.105 39.105 38.886 0.219 25442 1044 1 3 . 1 1 10 10 ASN H H 10 8.174 8.174 8.198 -0.024 25442 1045 1 3 . 1 1 11 11 ALA N N 11 122.869 122.869 122.633 0.236 25442 1046 1 3 . 1 1 11 11 ALA HA H 11 4.544 4.544 4.431 0.113 25442 1047 1 3 . 1 1 11 11 ALA CA C 11 52.866 52.866 52.383 0.483 25442 1048 1 3 . 1 1 11 11 ALA H H 11 8.299 8.299 7.361 0.938 25442 1049 1 3 . 1 1 12 12 TYR N N 12 117.351 117.351 118.478 -1.127 25442 1050 1 3 . 1 1 12 12 TYR HA H 12 5.220 5.220 5.424 -0.204 25442 1051 1 3 . 1 1 12 12 TYR CA C 12 57.621 57.621 56.448 1.173 25442 1052 1 3 . 1 1 12 12 TYR CB C 12 41.631 41.631 43.328 -1.697 25442 1053 1 3 . 1 1 12 12 TYR H H 12 8.340 8.340 8.004 0.336 25442 1054 1 3 . 1 1 13 13 ILE N N 13 112.184 112.184 120.890 -8.706 25442 1055 1 3 . 1 1 13 13 ILE HA H 13 5.052 5.052 4.558 0.494 25442 1056 1 3 . 1 1 13 13 ILE CA C 13 59.995 59.995 60.481 -0.486 25442 1057 1 3 . 1 1 13 13 ILE CB C 13 40.418 40.418 39.330 1.088 25442 1058 1 3 . 1 1 13 13 ILE H H 13 9.216 9.216 8.922 0.294 25442 1059 1 3 . 1 1 14 14 TYR N N 14 123.504 123.504 130.334 -6.830 25442 1060 1 3 . 1 1 14 14 TYR HA H 14 4.690 4.690 4.781 -0.091 25442 1061 1 3 . 1 1 14 14 TYR CA C 14 56.688 56.688 57.627 -0.939 25442 1062 1 3 . 1 1 14 14 TYR CB C 14 40.564 40.564 39.510 1.054 25442 1063 1 3 . 1 1 14 14 TYR H H 14 9.086 9.086 9.316 -0.230 25442 1064 1 3 . 1 1 15 15 ILE N N 15 127.611 127.611 128.348 -0.737 25442 1065 1 3 . 1 1 15 15 ILE HA H 15 4.288 4.288 4.851 -0.563 25442 1066 1 3 . 1 1 15 15 ILE CA C 15 59.654 59.654 59.695 -0.041 25442 1067 1 3 . 1 1 15 15 ILE CB C 15 40.260 40.260 40.177 0.083 25442 1068 1 3 . 1 1 15 15 ILE H H 15 8.448 8.448 7.905 0.543 25442 1069 1 3 . 1 1 16 16 GLY N N 16 112.660 112.660 111.578 1.082 25442 1070 1 3 . 1 1 16 16 GLY CA C 16 43.240 43.240 43.858 -0.618 25442 1071 1 3 . 1 1 16 16 GLY H H 16 9.438 9.438 8.384 1.054 25442 1072 1 3 . 1 1 17 17 ASN N N 17 114.980 114.980 116.350 -1.370 25442 1073 1 3 . 1 1 17 17 ASN HA H 17 4.439 4.439 4.379 0.060 25442 1074 1 3 . 1 1 17 17 ASN CA C 17 53.251 53.251 53.958 -0.707 25442 1075 1 3 . 1 1 17 17 ASN CB C 17 38.259 38.259 37.955 0.304 25442 1076 1 3 . 1 1 17 17 ASN H H 17 8.497 8.497 8.246 0.251 25442 1077 1 3 . 1 1 18 18 LEU N N 18 115.182 115.182 115.669 -0.487 25442 1078 1 3 . 1 1 18 18 LEU HA H 18 4.068 4.068 4.834 -0.766 25442 1079 1 3 . 1 1 18 18 LEU CA C 18 54.073 54.073 53.739 0.334 25442 1080 1 3 . 1 1 18 18 LEU CB C 18 42.912 42.912 43.138 -0.226 25442 1081 1 3 . 1 1 18 18 LEU H H 18 7.859 7.859 7.100 0.759 25442 1082 1 3 . 1 1 19 19 ASN N N 19 122.392 122.392 119.675 2.717 25442 1083 1 3 . 1 1 19 19 ASN HA H 19 4.464 4.464 4.708 -0.244 25442 1084 1 3 . 1 1 19 19 ASN CA C 19 54.087 54.087 53.647 0.440 25442 1085 1 3 . 1 1 19 19 ASN CB C 19 38.703 38.703 39.402 -0.699 25442 1086 1 3 . 1 1 19 19 ASN H H 19 8.727 8.727 8.690 0.037 25442 1087 1 3 . 1 1 20 20 ARG N N 20 126.283 126.283 122.590 3.693 25442 1088 1 3 . 1 1 20 20 ARG HA H 20 3.937 3.937 4.033 -0.096 25442 1089 1 3 . 1 1 20 20 ARG CA C 20 58.719 58.719 58.181 0.538 25442 1090 1 3 . 1 1 20 20 ARG CB C 20 29.719 29.719 29.929 -0.210 25442 1091 1 3 . 1 1 20 20 ARG H H 20 8.940 8.940 8.744 0.196 25442 1092 1 3 . 1 1 21 21 GLU N N 21 117.166 117.166 117.053 0.113 25442 1093 1 3 . 1 1 21 21 GLU HA H 21 4.321 4.321 4.120 0.201 25442 1094 1 3 . 1 1 21 21 GLU CA C 21 56.778 56.778 57.289 -0.511 25442 1095 1 3 . 1 1 21 21 GLU H H 21 8.867 8.867 8.180 0.687 25442 1096 1 3 . 1 1 22 22 LEU N N 22 119.643 119.643 120.220 -0.577 25442 1097 1 3 . 1 1 22 22 LEU HA H 22 4.540 4.540 4.599 -0.059 25442 1098 1 3 . 1 1 22 22 LEU CA C 22 55.505 55.505 54.303 1.202 25442 1099 1 3 . 1 1 22 22 LEU CB C 22 42.251 42.251 42.687 -0.436 25442 1100 1 3 . 1 1 22 22 LEU H H 22 7.324 7.324 7.339 -0.015 25442 1101 1 3 . 1 1 23 23 THR N N 23 114.564 114.564 114.860 -0.296 25442 1102 1 3 . 1 1 23 23 THR HA H 23 4.483 4.483 4.601 -0.118 25442 1103 1 3 . 1 1 23 23 THR CA C 23 60.155 60.155 59.618 0.537 25442 1104 1 3 . 1 1 23 23 THR CB C 23 73.000 73.000 71.124 1.877 25442 1105 1 3 . 1 1 23 23 THR H H 23 9.483 9.483 8.316 1.167 25442 1106 1 3 . 1 1 24 24 GLU N N 24 120.458 120.458 119.823 0.635 25442 1107 1 3 . 1 1 24 24 GLU HA H 24 3.604 3.604 4.008 -0.404 25442 1108 1 3 . 1 1 24 24 GLU CA C 24 62.158 62.158 59.980 2.178 25442 1109 1 3 . 1 1 24 24 GLU H H 24 10.410 10.410 8.817 1.593 25442 1110 1 3 . 1 1 25 25 GLY N N 25 105.261 105.261 107.455 -2.194 25442 1111 1 3 . 1 1 25 25 GLY CA C 25 47.219 47.219 46.940 0.279 25442 1112 1 3 . 1 1 25 25 GLY H H 25 8.402 8.402 7.946 0.456 25442 1113 1 3 . 1 1 26 26 ASP N N 26 122.820 122.820 123.055 -0.235 25442 1114 1 3 . 1 1 26 26 ASP HA H 26 4.515 4.515 4.459 0.056 25442 1115 1 3 . 1 1 26 26 ASP CA C 26 58.005 58.005 57.212 0.792 25442 1116 1 3 . 1 1 26 26 ASP CB C 26 41.261 41.261 40.525 0.736 25442 1117 1 3 . 1 1 26 26 ASP H H 26 7.539 7.539 7.506 0.033 25442 1118 1 3 . 1 1 27 27 ILE N N 27 118.686 118.686 120.626 -1.940 25442 1119 1 3 . 1 1 27 27 ILE HA H 27 3.609 3.609 3.796 -0.187 25442 1120 1 3 . 1 1 27 27 ILE CA C 27 65.348 65.348 65.335 0.013 25442 1121 1 3 . 1 1 27 27 ILE CB C 27 37.789 37.789 37.951 -0.162 25442 1122 1 3 . 1 1 27 27 ILE H H 27 7.832 7.832 7.975 -0.143 25442 1123 1 3 . 1 1 28 28 LEU N N 28 119.737 119.737 120.922 -1.185 25442 1124 1 3 . 1 1 28 28 LEU HA H 28 3.790 3.790 3.888 -0.098 25442 1125 1 3 . 1 1 28 28 LEU CA C 28 59.040 59.040 58.749 0.291 25442 1126 1 3 . 1 1 28 28 LEU CB C 28 42.520 42.520 41.663 0.858 25442 1127 1 3 . 1 1 28 28 LEU H H 28 8.731 8.731 8.172 0.559 25442 1128 1 3 . 1 1 29 29 THR N N 29 119.509 119.509 115.294 4.215 25442 1129 1 3 . 1 1 29 29 THR HA H 29 4.045 4.045 3.945 0.100 25442 1130 1 3 . 1 1 29 29 THR CA C 29 67.196 67.196 67.087 0.109 25442 1131 1 3 . 1 1 29 29 THR CB C 29 69.194 69.194 68.780 0.414 25442 1132 1 3 . 1 1 29 29 THR H H 29 8.251 8.251 7.917 0.334 25442 1133 1 3 . 1 1 30 30 VAL N N 30 117.974 117.974 121.035 -3.061 25442 1134 1 3 . 1 1 30 30 VAL HA H 30 3.869 3.869 3.765 0.104 25442 1135 1 3 . 1 1 30 30 VAL CA C 30 65.727 65.727 66.480 -0.753 25442 1136 1 3 . 1 1 30 30 VAL CB C 30 32.912 32.912 31.780 1.132 25442 1137 1 3 . 1 1 30 30 VAL H H 30 7.627 7.627 8.013 -0.386 25442 1138 1 3 . 1 1 31 31 PHE N N 31 113.937 113.937 117.326 -3.389 25442 1139 1 3 . 1 1 31 31 PHE HA H 31 3.908 3.908 4.611 -0.703 25442 1140 1 3 . 1 1 31 31 PHE CA C 31 62.044 62.044 59.623 2.421 25442 1141 1 3 . 1 1 31 31 PHE CB C 31 37.217 37.217 38.958 -1.741 25442 1142 1 3 . 1 1 31 31 PHE H H 31 8.903 8.903 8.785 0.118 25442 1143 1 3 . 1 1 32 32 SER N N 32 118.854 118.854 116.761 2.093 25442 1144 1 3 . 1 1 32 32 SER HA H 32 5.405 5.405 4.148 1.257 25442 1145 1 3 . 1 1 32 32 SER CA C 32 61.282 61.282 62.445 -1.163 25442 1146 1 3 . 1 1 32 32 SER CB C 32 64.055 64.055 63.312 0.744 25442 1147 1 3 . 1 1 32 32 SER H H 32 8.024 8.024 8.433 -0.409 25442 1148 1 3 . 1 1 33 33 GLU N N 33 121.203 121.203 120.671 0.532 25442 1149 1 3 . 1 1 33 33 GLU HA H 33 2.246 2.246 3.991 -1.745 25442 1150 1 3 . 1 1 33 33 GLU CA C 33 59.596 59.596 57.974 1.623 25442 1151 1 3 . 1 1 33 33 GLU H H 33 6.935 6.935 8.083 -1.148 25442 1152 1 3 . 1 1 34 34 TYR N N 34 108.039 108.039 118.325 -10.286 25442 1153 1 3 . 1 1 34 34 TYR HA H 34 4.953 4.953 4.499 0.454 25442 1154 1 3 . 1 1 34 34 TYR CA C 34 57.226 57.226 57.260 -0.034 25442 1155 1 3 . 1 1 34 34 TYR CB C 34 38.821 38.821 37.376 1.445 25442 1156 1 3 . 1 1 34 34 TYR H H 34 6.254 6.254 7.513 -1.259 25442 1157 1 3 . 1 1 35 35 GLY N N 35 103.601 103.601 106.926 -3.325 25442 1158 1 3 . 1 1 35 35 GLY CA C 35 44.594 44.594 44.242 0.352 25442 1159 1 3 . 1 1 35 35 GLY H H 35 7.247 7.247 7.356 -0.109 25442 1160 1 3 . 1 1 36 36 VAL N N 36 120.482 120.482 122.808 -2.326 25442 1161 1 3 . 1 1 36 36 VAL HA H 36 4.537 4.537 4.314 0.223 25442 1162 1 3 . 1 1 36 36 VAL CA C 36 59.942 59.942 60.949 -1.007 25442 1163 1 3 . 1 1 36 36 VAL CB C 36 33.989 33.989 33.308 0.681 25442 1164 1 3 . 1 1 36 36 VAL H H 36 8.549 8.549 7.862 0.687 25442 1165 1 3 . 1 1 37 37 PRO HA H 37 4.543 4.543 4.746 -0.203 25442 1166 1 3 . 1 1 37 37 PRO CA C 37 62.043 62.043 62.575 -0.532 25442 1167 1 3 . 1 1 37 37 PRO CB C 37 31.531 31.531 32.571 -1.040 25442 1168 1 3 . 1 1 38 38 VAL N N 38 118.566 118.566 115.192 3.374 25442 1169 1 3 . 1 1 38 38 VAL HA H 38 4.439 4.439 4.291 0.148 25442 1170 1 3 . 1 1 38 38 VAL CA C 38 61.064 61.064 62.484 -1.420 25442 1171 1 3 . 1 1 38 38 VAL CB C 38 32.842 32.842 32.643 0.199 25442 1172 1 3 . 1 1 38 38 VAL H H 38 9.099 9.099 8.107 0.992 25442 1173 1 3 . 1 1 39 39 ASP N N 39 118.912 118.912 118.805 0.107 25442 1174 1 3 . 1 1 39 39 ASP HA H 39 4.920 4.920 4.780 0.140 25442 1175 1 3 . 1 1 39 39 ASP CA C 39 54.860 54.860 54.258 0.602 25442 1176 1 3 . 1 1 39 39 ASP CB C 39 44.441 44.441 44.478 -0.037 25442 1177 1 3 . 1 1 39 39 ASP H H 39 7.300 7.300 7.633 -0.333 25442 1178 1 3 . 1 1 40 40 VAL N N 40 123.365 123.365 117.696 5.669 25442 1179 1 3 . 1 1 40 40 VAL HA H 40 4.759 4.759 4.885 -0.126 25442 1180 1 3 . 1 1 40 40 VAL CA C 40 61.259 61.259 59.809 1.450 25442 1181 1 3 . 1 1 40 40 VAL CB C 40 34.464 34.464 35.187 -0.723 25442 1182 1 3 . 1 1 40 40 VAL H H 40 8.052 8.052 8.243 -0.191 25442 1183 1 3 . 1 1 41 41 ILE N N 41 127.951 127.951 124.054 3.897 25442 1184 1 3 . 1 1 41 41 ILE HA H 41 4.361 4.361 4.474 -0.113 25442 1185 1 3 . 1 1 41 41 ILE CA C 41 60.204 60.204 60.592 -0.388 25442 1186 1 3 . 1 1 41 41 ILE CB C 41 41.220 41.220 40.567 0.653 25442 1187 1 3 . 1 1 41 41 ILE H H 41 9.031 9.031 8.368 0.663 25442 1188 1 3 . 1 1 42 42 LEU N N 42 130.034 130.034 129.506 0.528 25442 1189 1 3 . 1 1 42 42 LEU HA H 42 4.415 4.415 4.629 -0.214 25442 1190 1 3 . 1 1 42 42 LEU CA C 42 53.832 53.832 53.711 0.122 25442 1191 1 3 . 1 1 42 42 LEU CB C 42 44.353 44.353 42.801 1.552 25442 1192 1 3 . 1 1 42 42 LEU H H 42 8.935 8.935 8.606 0.329 25442 1193 1 3 . 1 1 43 43 SER N N 43 121.977 121.977 119.037 2.940 25442 1194 1 3 . 1 1 43 43 SER HA H 43 4.092 4.092 4.500 -0.408 25442 1195 1 3 . 1 1 43 43 SER CA C 43 59.298 59.298 58.993 0.305 25442 1196 1 3 . 1 1 43 43 SER CB C 43 62.879 62.879 64.154 -1.275 25442 1197 1 3 . 1 1 43 43 SER H H 43 8.088 8.088 8.644 -0.556 25442 1198 1 3 . 1 1 44 44 ARG N N 44 125.852 125.852 124.493 1.359 25442 1199 1 3 . 1 1 44 44 ARG HA H 44 4.906 4.906 5.080 -0.174 25442 1200 1 3 . 1 1 44 44 ARG CA C 44 54.363 54.363 54.730 -0.367 25442 1201 1 3 . 1 1 44 44 ARG CB C 44 34.095 34.095 33.869 0.226 25442 1202 1 3 . 1 1 44 44 ARG H H 44 8.081 8.081 8.468 -0.387 25442 1203 1 3 . 1 1 45 45 ASP N N 45 123.150 123.150 122.310 0.840 25442 1204 1 3 . 1 1 45 45 ASP HA H 45 4.425 4.425 4.728 -0.303 25442 1205 1 3 . 1 1 45 45 ASP CA C 45 54.728 54.728 53.469 1.258 25442 1206 1 3 . 1 1 45 45 ASP CB C 45 43.318 43.318 42.259 1.059 25442 1207 1 3 . 1 1 45 45 ASP H H 45 8.594 8.594 8.736 -0.142 25442 1208 1 3 . 1 1 46 46 GLU N N 46 127.786 127.786 126.175 1.611 25442 1209 1 3 . 1 1 46 46 GLU HA H 46 4.048 4.048 4.181 -0.133 25442 1210 1 3 . 1 1 46 46 GLU CA C 46 59.018 59.018 58.169 0.849 25442 1211 1 3 . 1 1 46 46 GLU CB C 46 29.870 29.870 29.487 0.383 25442 1212 1 3 . 1 1 46 46 GLU H H 46 9.250 9.250 8.899 0.351 25442 1213 1 3 . 1 1 47 47 ASN N N 47 116.105 116.105 117.273 -1.168 25442 1214 1 3 . 1 1 47 47 ASN HA H 47 4.825 4.825 4.553 0.272 25442 1215 1 3 . 1 1 47 47 ASN CA C 47 55.321 55.321 55.779 -0.458 25442 1216 1 3 . 1 1 47 47 ASN CB C 47 39.927 39.927 38.803 1.124 25442 1217 1 3 . 1 1 47 47 ASN H H 47 8.857 8.857 9.131 -0.274 25442 1218 1 3 . 1 1 48 48 THR N N 48 108.395 108.395 110.855 -2.460 25442 1219 1 3 . 1 1 48 48 THR HA H 48 4.461 4.461 4.557 -0.096 25442 1220 1 3 . 1 1 48 48 THR CA C 48 61.883 61.883 61.581 0.302 25442 1221 1 3 . 1 1 48 48 THR CB C 48 71.194 71.194 70.363 0.831 25442 1222 1 3 . 1 1 48 48 THR H H 48 8.539 8.539 7.610 0.929 25442 1223 1 3 . 1 1 49 49 GLY N N 49 110.910 110.910 110.644 0.266 25442 1224 1 3 . 1 1 49 49 GLY CA C 49 45.706 45.706 45.617 0.089 25442 1225 1 3 . 1 1 49 49 GLY H H 49 8.293 8.293 8.359 -0.066 25442 1226 1 3 . 1 1 50 50 GLU N N 50 120.328 120.328 118.826 1.502 25442 1227 1 3 . 1 1 50 50 GLU HA H 50 4.162 4.162 4.425 -0.263 25442 1228 1 3 . 1 1 50 50 GLU CA C 50 56.540 56.540 55.462 1.078 25442 1229 1 3 . 1 1 50 50 GLU CB C 50 30.948 30.948 30.496 0.452 25442 1230 1 3 . 1 1 50 50 GLU H H 50 7.854 7.854 8.096 -0.242 25442 1231 1 3 . 1 1 51 51 SER N N 51 117.235 117.235 115.775 1.460 25442 1232 1 3 . 1 1 51 51 SER HA H 51 4.391 4.391 4.652 -0.261 25442 1233 1 3 . 1 1 51 51 SER CA C 51 58.361 58.361 57.635 0.726 25442 1234 1 3 . 1 1 51 51 SER CB C 51 64.438 64.438 63.855 0.583 25442 1235 1 3 . 1 1 51 51 SER H H 51 8.950 8.950 8.153 0.797 25442 1236 1 3 . 1 1 52 52 GLN N N 52 122.996 122.996 126.639 -3.643 25442 1237 1 3 . 1 1 52 52 GLN HA H 52 4.516 4.516 4.026 0.490 25442 1238 1 3 . 1 1 52 52 GLN CA C 52 55.406 55.406 54.478 0.928 25442 1239 1 3 . 1 1 52 52 GLN CB C 52 29.624 29.624 30.182 -0.558 25442 1240 1 3 . 1 1 52 52 GLN H H 52 8.929 8.929 8.317 0.612 25442 1241 1 3 . 1 1 53 53 GLY N N 53 106.139 106.139 105.827 0.312 25442 1242 1 3 . 1 1 53 53 GLY CA C 53 46.434 46.434 45.229 1.205 25442 1243 1 3 . 1 1 53 53 GLY H H 53 8.876 8.876 8.314 0.562 25442 1244 1 3 . 1 1 54 54 PHE N N 54 112.294 112.294 114.061 -1.767 25442 1245 1 3 . 1 1 54 54 PHE HA H 54 5.436 5.436 5.532 -0.096 25442 1246 1 3 . 1 1 54 54 PHE CA C 54 55.464 55.464 54.328 1.137 25442 1247 1 3 . 1 1 54 54 PHE CB C 54 41.207 41.207 41.177 0.030 25442 1248 1 3 . 1 1 54 54 PHE H H 54 6.938 6.938 6.587 0.351 25442 1249 1 3 . 1 1 55 55 ALA N N 55 121.935 121.935 120.603 1.332 25442 1250 1 3 . 1 1 55 55 ALA HA H 55 5.051 5.051 4.494 0.557 25442 1251 1 3 . 1 1 55 55 ALA CA C 55 49.517 49.517 51.382 -1.865 25442 1252 1 3 . 1 1 55 55 ALA CB C 55 24.966 24.966 22.173 2.793 25442 1253 1 3 . 1 1 55 55 ALA H H 55 9.098 9.098 8.385 0.713 25442 1254 1 3 . 1 1 56 56 TYR N N 56 114.799 114.799 117.559 -2.760 25442 1255 1 3 . 1 1 56 56 TYR HA H 56 5.652 5.652 5.256 0.396 25442 1256 1 3 . 1 1 56 56 TYR CA C 56 56.128 56.128 57.176 -1.048 25442 1257 1 3 . 1 1 56 56 TYR CB C 56 42.405 42.405 40.756 1.649 25442 1258 1 3 . 1 1 56 56 TYR H H 56 8.572 8.572 8.457 0.115 25442 1259 1 3 . 1 1 57 57 LEU N N 57 123.129 123.129 123.021 0.108 25442 1260 1 3 . 1 1 57 57 LEU HA H 57 5.100 5.100 4.778 0.322 25442 1261 1 3 . 1 1 57 57 LEU CA C 57 54.552 54.552 54.118 0.433 25442 1262 1 3 . 1 1 57 57 LEU H H 57 8.600 8.600 8.863 -0.263 25442 1263 1 3 . 1 1 58 58 LYS N N 58 126.556 126.556 124.487 2.069 25442 1264 1 3 . 1 1 58 58 LYS HA H 58 4.553 4.553 4.459 0.094 25442 1265 1 3 . 1 1 58 58 LYS CA C 58 54.518 54.518 54.928 -0.410 25442 1266 1 3 . 1 1 58 58 LYS CB C 58 36.254 36.254 34.727 1.527 25442 1267 1 3 . 1 1 58 58 LYS H H 58 8.389 8.389 8.380 0.009 25442 1268 1 3 . 1 1 59 59 TYR N N 59 126.761 126.761 126.988 -0.227 25442 1269 1 3 . 1 1 59 59 TYR HA H 59 5.061 5.061 4.622 0.439 25442 1270 1 3 . 1 1 59 59 TYR CA C 59 58.271 58.271 57.254 1.017 25442 1271 1 3 . 1 1 59 59 TYR H H 59 9.035 9.035 8.733 0.302 25442 1272 1 3 . 1 1 60 60 GLU N N 60 120.097 120.097 119.621 0.476 25442 1273 1 3 . 1 1 60 60 GLU HA H 60 3.890 3.890 3.912 -0.022 25442 1274 1 3 . 1 1 60 60 GLU CA C 60 59.244 59.244 58.734 0.510 25442 1275 1 3 . 1 1 60 60 GLU CB C 60 31.145 31.145 29.652 1.492 25442 1276 1 3 . 1 1 60 60 GLU H H 60 8.796 8.796 7.588 1.208 25442 1277 1 3 . 1 1 61 61 ASP N N 61 117.697 117.697 117.055 0.642 25442 1278 1 3 . 1 1 61 61 ASP HA H 61 4.842 4.842 4.861 -0.019 25442 1279 1 3 . 1 1 61 61 ASP CA C 61 51.550 51.550 52.965 -1.415 25442 1280 1 3 . 1 1 61 61 ASP CB C 61 43.258 43.258 42.679 0.579 25442 1281 1 3 . 1 1 61 61 ASP H H 61 8.006 8.006 8.153 -0.147 25442 1282 1 3 . 1 1 62 62 GLN N N 62 126.321 126.321 120.161 6.160 25442 1283 1 3 . 1 1 62 62 GLN HA H 62 4.223 4.223 4.152 0.071 25442 1284 1 3 . 1 1 62 62 GLN CA C 62 58.637 58.637 58.642 -0.005 25442 1285 1 3 . 1 1 62 62 GLN CB C 62 27.994 27.994 29.092 -1.098 25442 1286 1 3 . 1 1 62 62 GLN H H 62 9.053 9.053 8.701 0.352 25442 1287 1 3 . 1 1 63 63 ARG N N 63 121.086 121.086 119.175 1.911 25442 1288 1 3 . 1 1 63 63 ARG HA H 63 3.654 3.654 4.083 -0.429 25442 1289 1 3 . 1 1 63 63 ARG CA C 63 58.971 58.971 59.294 -0.323 25442 1290 1 3 . 1 1 63 63 ARG H H 63 8.960 8.960 8.559 0.401 25442 1291 1 3 . 1 1 64 64 SER N N 64 114.891 114.891 112.966 1.925 25442 1292 1 3 . 1 1 64 64 SER HA H 64 3.704 3.704 4.181 -0.477 25442 1293 1 3 . 1 1 64 64 SER CA C 64 63.589 63.589 61.503 2.086 25442 1294 1 3 . 1 1 64 64 SER H H 64 8.143 8.143 8.551 -0.408 25442 1295 1 3 . 1 1 65 65 THR N N 65 111.019 111.019 116.480 -5.461 25442 1296 1 3 . 1 1 65 65 THR HA H 65 3.765 3.765 4.151 -0.386 25442 1297 1 3 . 1 1 65 65 THR CA C 65 66.198 66.198 65.215 0.983 25442 1298 1 3 . 1 1 65 65 THR CB C 65 68.461 68.461 68.110 0.351 25442 1299 1 3 . 1 1 65 65 THR H H 65 7.633 7.633 7.611 0.022 25442 1300 1 3 . 1 1 66 66 ILE N N 66 123.242 123.242 122.485 0.757 25442 1301 1 3 . 1 1 66 66 ILE HA H 66 3.673 3.673 3.815 -0.142 25442 1302 1 3 . 1 1 66 66 ILE CA C 66 64.506 64.506 65.067 -0.561 25442 1303 1 3 . 1 1 66 66 ILE CB C 66 38.668 38.668 37.520 1.148 25442 1304 1 3 . 1 1 66 66 ILE H H 66 6.648 6.648 7.394 -0.746 25442 1305 1 3 . 1 1 67 67 LEU N N 67 113.375 113.375 120.347 -6.972 25442 1306 1 3 . 1 1 67 67 LEU HA H 67 3.627 3.627 3.817 -0.190 25442 1307 1 3 . 1 1 67 67 LEU CA C 67 57.678 57.678 58.292 -0.614 25442 1308 1 3 . 1 1 67 67 LEU CB C 67 41.866 41.866 41.476 0.390 25442 1309 1 3 . 1 1 67 67 LEU H H 67 6.899 6.899 7.307 -0.408 25442 1310 1 3 . 1 1 68 68 ALA N N 68 120.327 120.327 120.095 0.232 25442 1311 1 3 . 1 1 68 68 ALA HA H 68 3.406 3.406 3.568 -0.162 25442 1312 1 3 . 1 1 68 68 ALA CA C 68 55.643 55.643 54.996 0.647 25442 1313 1 3 . 1 1 68 68 ALA CB C 68 19.395 19.395 18.159 1.236 25442 1314 1 3 . 1 1 68 68 ALA H H 68 8.201 8.201 7.713 0.488 25442 1315 1 3 . 1 1 69 69 VAL N N 69 118.977 118.977 119.228 -0.251 25442 1316 1 3 . 1 1 69 69 VAL HA H 69 3.221 3.221 3.614 -0.393 25442 1317 1 3 . 1 1 69 69 VAL CA C 69 67.039 67.039 66.826 0.213 25442 1318 1 3 . 1 1 69 69 VAL CB C 69 31.896 31.896 31.082 0.813 25442 1319 1 3 . 1 1 69 69 VAL H H 69 8.235 8.235 7.833 0.402 25442 1320 1 3 . 1 1 70 70 ASP N N 70 116.894 116.894 118.917 -2.023 25442 1321 1 3 . 1 1 70 70 ASP HA H 70 3.941 3.941 4.389 -0.448 25442 1322 1 3 . 1 1 70 70 ASP CA C 70 57.576 57.576 56.702 0.874 25442 1323 1 3 . 1 1 70 70 ASP CB C 70 39.037 39.037 40.199 -1.162 25442 1324 1 3 . 1 1 70 70 ASP H H 70 8.152 8.152 8.189 -0.037 25442 1325 1 3 . 1 1 71 71 ASN N N 71 110.936 110.936 116.922 -5.986 25442 1326 1 3 . 1 1 71 71 ASN HA H 71 5.009 5.009 4.423 0.586 25442 1327 1 3 . 1 1 71 71 ASN CA C 71 55.710 55.710 55.223 0.487 25442 1328 1 3 . 1 1 71 71 ASN CB C 71 42.091 42.091 38.864 3.227 25442 1329 1 3 . 1 1 71 71 ASN H H 71 7.562 7.562 8.144 -0.582 25442 1330 1 3 . 1 1 72 72 LEU N N 72 116.460 116.460 116.364 0.096 25442 1331 1 3 . 1 1 72 72 LEU HA H 72 4.686 4.686 4.266 0.420 25442 1332 1 3 . 1 1 72 72 LEU CA C 72 54.411 54.411 54.398 0.013 25442 1333 1 3 . 1 1 72 72 LEU CB C 72 42.477 42.477 41.672 0.805 25442 1334 1 3 . 1 1 72 72 LEU H H 72 8.406 8.406 7.681 0.725 25442 1335 1 3 . 1 1 73 73 ASN N N 73 118.618 118.618 119.017 -0.399 25442 1336 1 3 . 1 1 73 73 ASN HA H 73 4.419 4.419 4.650 -0.231 25442 1337 1 3 . 1 1 73 73 ASN CA C 73 56.716 56.716 53.773 2.943 25442 1338 1 3 . 1 1 73 73 ASN CB C 73 39.452 39.452 38.449 1.003 25442 1339 1 3 . 1 1 73 73 ASN H H 73 6.956 6.956 8.150 -1.194 25442 1340 1 3 . 1 1 74 74 GLY N N 74 116.095 116.095 113.395 2.700 25442 1341 1 3 . 1 1 74 74 GLY CA C 74 45.912 45.912 45.036 0.876 25442 1342 1 3 . 1 1 74 74 GLY H H 74 9.379 9.379 8.431 0.948 25442 1343 1 3 . 1 1 75 75 PHE N N 75 123.354 123.354 123.942 -0.588 25442 1344 1 3 . 1 1 75 75 PHE HA H 75 4.311 4.311 4.427 -0.116 25442 1345 1 3 . 1 1 75 75 PHE CA C 75 58.979 58.979 57.056 1.923 25442 1346 1 3 . 1 1 75 75 PHE CB C 75 41.709 41.709 39.704 2.005 25442 1347 1 3 . 1 1 75 75 PHE H H 75 8.211 8.211 7.318 0.893 25442 1348 1 3 . 1 1 76 76 LYS N N 76 127.267 127.267 128.227 -0.960 25442 1349 1 3 . 1 1 76 76 LYS HA H 76 4.598 4.598 4.262 0.336 25442 1350 1 3 . 1 1 76 76 LYS CA C 76 56.529 56.529 55.937 0.592 25442 1351 1 3 . 1 1 76 76 LYS CB C 76 33.073 33.073 31.654 1.419 25442 1352 1 3 . 1 1 76 76 LYS H H 76 7.648 7.648 8.193 -0.545 25442 1353 1 3 . 1 1 77 77 ILE N N 77 121.576 121.576 124.297 -2.721 25442 1354 1 3 . 1 1 77 77 ILE HA H 77 4.406 4.406 4.121 0.285 25442 1355 1 3 . 1 1 77 77 ILE CA C 77 60.214 60.214 60.249 -0.035 25442 1356 1 3 . 1 1 77 77 ILE CB C 77 40.048 40.048 40.351 -0.303 25442 1357 1 3 . 1 1 77 77 ILE H H 77 8.100 8.100 8.533 -0.433 25442 1358 1 3 . 1 1 78 78 GLY CA C 78 47.118 47.118 45.248 1.869 25442 1359 1 3 . 1 1 79 79 GLY CA C 79 45.171 45.171 44.721 0.450 25442 1360 1 3 . 1 1 80 80 ARG N N 80 119.377 119.377 120.709 -1.332 25442 1361 1 3 . 1 1 80 80 ARG HA H 80 4.650 4.650 4.701 -0.051 25442 1362 1 3 . 1 1 80 80 ARG CA C 80 54.849 54.849 54.136 0.713 25442 1363 1 3 . 1 1 80 80 ARG CB C 80 33.411 33.411 33.206 0.205 25442 1364 1 3 . 1 1 80 80 ARG H H 80 7.379 7.379 7.702 -0.323 25442 1365 1 3 . 1 1 81 81 ALA N N 81 126.782 126.782 124.017 2.765 25442 1366 1 3 . 1 1 81 81 ALA HA H 81 4.137 4.137 4.648 -0.511 25442 1367 1 3 . 1 1 81 81 ALA CA C 81 51.454 51.454 51.218 0.236 25442 1368 1 3 . 1 1 81 81 ALA CB C 81 19.131 19.131 20.036 -0.905 25442 1369 1 3 . 1 1 81 81 ALA H H 81 8.734 8.734 8.316 0.418 25442 1370 1 3 . 1 1 82 82 LEU N N 82 125.769 125.769 120.367 5.402 25442 1371 1 3 . 1 1 82 82 LEU HA H 82 4.390 4.390 4.530 -0.140 25442 1372 1 3 . 1 1 82 82 LEU CA C 82 56.196 56.196 54.573 1.623 25442 1373 1 3 . 1 1 82 82 LEU CB C 82 43.362 43.362 43.780 -0.418 25442 1374 1 3 . 1 1 82 82 LEU H H 82 8.736 8.736 8.314 0.422 25442 1375 1 3 . 1 1 83 83 LYS N N 83 123.851 123.851 122.947 0.904 25442 1376 1 3 . 1 1 83 83 LYS HA H 83 5.005 5.005 4.653 0.352 25442 1377 1 3 . 1 1 83 83 LYS CA C 83 54.790 54.790 55.193 -0.403 25442 1378 1 3 . 1 1 83 83 LYS CB C 83 34.212 34.212 33.627 0.586 25442 1379 1 3 . 1 1 83 83 LYS H H 83 7.838 7.838 8.419 -0.581 25442 1380 1 3 . 1 1 84 84 ILE N N 84 125.629 125.629 126.632 -1.003 25442 1381 1 3 . 1 1 84 84 ILE HA H 84 5.576 5.576 5.065 0.511 25442 1382 1 3 . 1 1 84 84 ILE CA C 84 58.513 58.513 58.798 -0.285 25442 1383 1 3 . 1 1 84 84 ILE CB C 84 40.310 40.310 37.922 2.388 25442 1384 1 3 . 1 1 84 84 ILE H H 84 8.727 8.727 8.540 0.187 25442 1385 1 3 . 1 1 85 85 ASP N N 85 124.427 124.427 127.217 -2.790 25442 1386 1 3 . 1 1 85 85 ASP HA H 85 5.094 5.094 4.896 0.198 25442 1387 1 3 . 1 1 85 85 ASP CA C 85 52.697 52.697 52.809 -0.112 25442 1388 1 3 . 1 1 85 85 ASP CB C 85 45.574 45.574 44.407 1.167 25442 1389 1 3 . 1 1 85 85 ASP H H 85 8.960 8.960 8.804 0.156 25442 1390 1 3 . 1 1 86 86 HIS N N 86 121.356 121.356 122.318 -0.962 25442 1391 1 3 . 1 1 86 86 HIS HA H 86 4.635 4.635 4.806 -0.171 25442 1392 1 3 . 1 1 86 86 HIS CA C 86 58.158 58.158 56.528 1.630 25442 1393 1 3 . 1 1 86 86 HIS CB C 86 31.368 31.368 31.147 0.221 25442 1394 1 3 . 1 1 86 86 HIS H H 86 8.783 8.783 8.534 0.249 25442 1395 1 3 . 1 1 87 87 THR N N 87 114.331 114.331 116.732 -2.401 25442 1396 1 3 . 1 1 87 87 THR HA H 87 4.691 4.691 4.477 0.214 25442 1397 1 3 . 1 1 87 87 THR CA C 87 60.890 60.890 60.559 0.331 25442 1398 1 3 . 1 1 87 87 THR CB C 87 70.215 70.215 70.364 -0.149 25442 1399 1 3 . 1 1 87 87 THR H H 87 8.032 8.032 8.544 -0.512 25442 1400 1 3 . 1 1 88 88 PHE N N 88 118.673 118.673 124.172 -5.499 25442 1401 1 3 . 1 1 88 88 PHE HA H 88 4.305 4.305 4.798 -0.493 25442 1402 1 3 . 1 1 88 88 PHE CA C 88 58.926 58.926 56.151 2.775 25442 1403 1 3 . 1 1 88 88 PHE CB C 88 39.673 39.673 38.720 0.953 25442 1404 1 3 . 1 1 88 88 PHE H H 88 8.233 8.233 8.593 -0.360 25442 1405 1 3 . 1 1 89 89 TYR N N 89 124.182 124.182 123.144 1.038 25442 1406 1 3 . 1 1 89 89 TYR HA H 89 4.193 4.193 4.195 -0.002 25442 1407 1 3 . 1 1 89 89 TYR CA C 89 58.510 58.510 58.148 0.362 25442 1408 1 3 . 1 1 89 89 TYR CB C 89 39.993 39.993 39.071 0.922 25442 1409 1 3 . 1 1 89 89 TYR H H 89 8.246 8.246 7.441 0.805 25442 1410 1 3 . 1 1 90 90 ARG N N 90 125.111 125.111 126.556 -1.445 25442 1411 1 3 . 1 1 90 90 ARG HA H 90 4.219 4.219 4.344 -0.125 25442 1412 1 3 . 1 1 90 90 ARG CA C 90 52.511 52.511 52.221 0.290 25442 1413 1 3 . 1 1 90 90 ARG CB C 90 31.298 31.298 30.435 0.863 25442 1414 1 3 . 1 1 90 90 ARG H H 90 7.223 7.223 7.858 -0.635 25442 1415 1 3 . 1 1 91 91 PRO HA H 91 4.028 4.028 4.144 -0.116 25442 1416 1 3 . 1 1 91 91 PRO CA C 91 62.759 62.759 62.498 0.261 25442 1417 1 3 . 1 1 91 91 PRO CB C 91 32.074 32.074 32.489 -0.415 25442 1418 1 3 . 1 1 94 94 SER HA H 94 4.466 4.466 4.281 0.185 25442 1419 1 3 . 1 1 94 94 SER CA C 94 58.273 58.273 59.317 -1.044 25442 1420 1 3 . 1 1 94 94 SER CB C 94 63.656 63.656 62.839 0.817 25442 1421 1 3 . 1 1 95 95 LEU HA H 95 4.369 4.369 3.792 0.577 25442 1422 1 3 . 1 1 95 95 LEU CA C 95 55.482 55.482 57.760 -2.278 25442 1423 1 3 . 1 1 95 95 LEU CB C 95 42.350 42.350 41.277 1.073 25442 1424 1 3 . 1 1 97 97 LYS HA H 97 4.197 4.197 4.284 -0.087 25442 1425 1 3 . 1 1 97 97 LYS CA C 97 56.923 56.923 57.085 -0.162 25442 1426 1 3 . 1 1 97 97 LYS CB C 97 32.936 32.936 31.858 1.078 25442 1427 1 3 . 1 1 98 98 TYR N N 98 120.486 120.486 121.222 -0.736 25442 1428 1 3 . 1 1 98 98 TYR HA H 98 4.477 4.477 4.462 0.015 25442 1429 1 3 . 1 1 98 98 TYR CA C 98 58.249 58.249 59.205 -0.956 25442 1430 1 3 . 1 1 98 98 TYR CB C 98 38.659 38.659 39.720 -1.061 25442 1431 1 3 . 1 1 98 98 TYR H H 98 7.979 7.979 8.769 -0.790 25442 1432 1 3 . 1 1 99 99 TYR N N 99 120.784 120.784 122.219 -1.435 25442 1433 1 3 . 1 1 99 99 TYR HA H 99 4.455 4.455 3.998 0.457 25442 1434 1 3 . 1 1 99 99 TYR CA C 99 58.281 58.281 62.579 -4.298 25442 1435 1 3 . 1 1 99 99 TYR CB C 99 38.902 38.902 38.837 0.065 25442 1436 1 3 . 1 1 99 99 TYR H H 99 7.918 7.918 7.810 0.108 25442 1437 1 3 . 1 1 100 100 GLU N N 100 122.033 122.033 117.410 4.623 25442 1438 1 3 . 1 1 100 100 GLU HA H 100 4.171 4.171 3.901 0.270 25442 1439 1 3 . 1 1 100 100 GLU CA C 100 56.766 56.766 59.081 -2.315 25442 1440 1 3 . 1 1 100 100 GLU H H 100 8.055 8.055 8.658 -0.603 25442 1441 1 3 . 1 1 101 101 ALA N N 101 124.629 124.629 120.720 3.909 25442 1442 1 3 . 1 1 101 101 ALA HA H 101 4.283 4.283 3.932 0.351 25442 1443 1 3 . 1 1 101 101 ALA CA C 101 52.795 52.795 54.252 -1.458 25442 1444 1 3 . 1 1 101 101 ALA CB C 101 19.150 19.150 17.886 1.264 25442 1445 1 3 . 1 1 101 101 ALA H H 101 8.040 8.040 7.855 0.185 25442 1446 1 3 . 1 1 102 102 VAL N N 102 119.031 119.031 118.066 0.965 25442 1447 1 3 . 1 1 102 102 VAL HA H 102 4.039 4.039 3.391 0.648 25442 1448 1 3 . 1 1 102 102 VAL CA C 102 62.675 62.675 65.246 -2.571 25442 1449 1 3 . 1 1 102 102 VAL CB C 102 32.610 32.610 31.497 1.113 25442 1450 1 3 . 1 1 102 102 VAL H H 102 7.960 7.960 7.144 0.816 25442 1451 1 3 . 1 1 103 103 LYS N N 103 124.562 124.562 115.459 9.103 25442 1452 1 3 . 1 1 103 103 LYS HA H 103 4.258 4.258 4.378 -0.120 25442 1453 1 3 . 1 1 103 103 LYS CA C 103 56.797 56.797 55.891 0.906 25442 1454 1 3 . 1 1 103 103 LYS CB C 103 33.012 33.012 33.236 -0.224 25442 1455 1 3 . 1 1 103 103 LYS H H 103 8.207 8.207 8.064 0.143 25442 1456 1 3 . 1 1 104 104 GLU N N 104 121.722 121.722 119.798 1.924 25442 1457 1 3 . 1 1 104 104 GLU HA H 104 4.263 4.263 4.346 -0.083 25442 1458 1 3 . 1 1 104 104 GLU CA C 104 57.034 57.034 57.739 -0.704 25442 1459 1 3 . 1 1 104 104 GLU CB C 104 30.351 30.351 30.305 0.046 25442 1460 1 3 . 1 1 104 104 GLU H H 104 8.325 8.325 8.090 0.235 25442 1461 1 3 . 1 1 105 105 GLU N N 105 121.479 121.479 118.951 2.528 25442 1462 1 3 . 1 1 105 105 GLU HA H 105 4.264 4.264 4.074 0.190 25442 1463 1 3 . 1 1 105 105 GLU CA C 105 56.802 56.802 58.810 -2.008 25442 1464 1 3 . 1 1 105 105 GLU CB C 105 30.351 30.351 29.668 0.683 25442 1465 1 3 . 1 1 105 105 GLU H H 105 8.288 8.288 7.643 0.645 25442 1466 1 3 . 1 1 106 106 LEU N N 106 122.549 122.549 119.175 3.374 25442 1467 1 3 . 1 1 106 106 LEU HA H 106 4.316 4.316 4.040 0.276 25442 1468 1 3 . 1 1 106 106 LEU CA C 106 55.545 55.545 57.818 -2.273 25442 1469 1 3 . 1 1 106 106 LEU CB C 106 42.538 42.538 41.921 0.617 25442 1470 1 3 . 1 1 106 106 LEU H H 106 8.154 8.154 7.952 0.202 25442 1471 1 3 . 1 1 107 107 ASP N N 107 120.656 120.656 116.399 4.257 25442 1472 1 3 . 1 1 107 107 ASP HA H 107 4.587 4.587 4.543 0.044 25442 1473 1 3 . 1 1 107 107 ASP CA C 107 54.715 54.715 53.316 1.399 25442 1474 1 3 . 1 1 107 107 ASP CB C 107 41.125 41.125 40.157 0.968 25442 1475 1 3 . 1 1 107 107 ASP H H 107 8.273 8.273 8.063 0.210 25442 1476 1 3 . 1 1 108 108 ARG N N 108 120.710 120.710 118.611 2.099 25442 1477 1 3 . 1 1 108 108 ARG HA H 108 4.272 4.272 4.018 0.254 25442 1478 1 3 . 1 1 108 108 ARG CA C 108 56.778 56.778 58.917 -2.139 25442 1479 1 3 . 1 1 108 108 ARG CB C 108 30.835 30.835 29.403 1.432 25442 1480 1 3 . 1 1 108 108 ARG H H 108 8.041 8.041 7.426 0.615 25442 1481 1 3 . 1 1 109 109 ASP N N 109 120.647 120.647 120.187 0.460 25442 1482 1 3 . 1 1 109 109 ASP CA C 109 54.862 54.862 56.739 -1.877 25442 1483 1 3 . 1 1 109 109 ASP H H 109 8.331 8.331 7.854 0.477 25442 1484 1 3 . 1 1 110 110 ILE N N 110 120.220 120.220 119.657 0.563 25442 1485 1 3 . 1 1 110 110 ILE HA H 110 4.140 4.140 3.693 0.447 25442 1486 1 3 . 1 1 110 110 ILE CA C 110 61.760 61.760 63.760 -2.000 25442 1487 1 3 . 1 1 110 110 ILE CB C 110 38.643 38.643 38.064 0.579 25442 1488 1 3 . 1 1 110 110 ILE H H 110 7.910 7.910 7.991 -0.081 25442 1489 1 3 . 1 1 111 111 VAL N N 111 122.698 122.698 118.367 4.331 25442 1490 1 3 . 1 1 111 111 VAL HA H 111 4.095 4.095 3.784 0.311 25442 1491 1 3 . 1 1 111 111 VAL CA C 111 62.982 62.982 65.099 -2.117 25442 1492 1 3 . 1 1 111 111 VAL CB C 111 32.438 32.438 31.992 0.446 25442 1493 1 3 . 1 1 111 111 VAL H H 111 8.018 8.018 7.429 0.589 25442 1494 1 3 . 1 1 112 112 SER HA H 112 4.439 4.439 4.576 -0.137 25442 1495 1 3 . 1 1 112 112 SER CA C 112 58.581 58.581 57.519 1.062 25442 1496 1 3 . 1 1 112 112 SER CB C 112 63.717 63.717 65.220 -1.503 25442 1497 1 3 . 1 1 114 114 ASN HA H 114 4.690 4.690 4.847 -0.157 25442 1498 1 3 . 1 1 114 114 ASN CA C 114 53.462 53.462 52.169 1.293 25442 1499 1 3 . 1 1 114 114 ASN CB C 114 39.073 39.073 41.046 -1.973 25442 1500 1 3 . 1 1 115 115 ASN HA H 115 4.690 4.690 4.293 0.397 25442 1501 1 3 . 1 1 115 115 ASN CA C 115 53.476 53.476 55.661 -2.185 25442 1502 1 3 . 1 1 115 115 ASN CB C 115 39.073 39.073 37.353 1.720 25442 1503 1 3 . 1 1 116 116 ALA N N 116 123.691 123.691 123.099 0.592 25442 1504 1 3 . 1 1 116 116 ALA HA H 116 4.355 4.355 4.121 0.234 25442 1505 1 3 . 1 1 116 116 ALA CA C 116 52.748 52.748 53.991 -1.243 25442 1506 1 3 . 1 1 116 116 ALA CB C 116 19.559 19.559 19.021 0.538 25442 1507 1 3 . 1 1 116 116 ALA H H 116 8.144 8.144 8.158 -0.014 25442 1508 1 3 . 1 1 117 117 GLU N N 117 120.174 120.174 119.601 0.573 25442 1509 1 3 . 1 1 117 117 GLU HA H 117 4.284 4.284 4.529 -0.245 25442 1510 1 3 . 1 1 117 117 GLU CA C 117 56.731 56.731 55.545 1.186 25442 1511 1 3 . 1 1 117 117 GLU CB C 117 29.944 29.944 30.891 -0.947 25442 1512 1 3 . 1 1 117 117 GLU H H 117 8.234 8.234 8.157 0.077 25442 1513 1 4 . 1 1 2 2 ALA HA H 2 4.335 4.335 4.287 0.048 25442 1514 1 4 . 1 1 2 2 ALA CA C 2 53.634 53.634 52.918 0.716 25442 1515 1 4 . 1 1 2 2 ALA CB C 2 19.441 19.441 19.077 0.364 25442 1516 1 4 . 1 1 3 3 MET N N 3 120.791 120.791 116.191 4.600 25442 1517 1 4 . 1 1 3 3 MET HA H 3 4.499 4.499 4.152 0.347 25442 1518 1 4 . 1 1 3 3 MET CA C 3 55.772 55.772 55.091 0.681 25442 1519 1 4 . 1 1 3 3 MET CB C 3 32.968 32.968 31.445 1.523 25442 1520 1 4 . 1 1 3 3 MET H H 3 8.636 8.636 8.131 0.505 25442 1521 1 4 . 1 1 4 4 GLY N N 4 109.879 109.879 108.553 1.326 25442 1522 1 4 . 1 1 4 4 GLY CA C 4 45.531 45.531 45.165 0.366 25442 1523 1 4 . 1 1 4 4 GLY H H 4 8.391 8.391 8.747 -0.356 25442 1524 1 4 . 1 1 5 5 ASN N N 5 124.309 124.309 119.208 5.101 25442 1525 1 4 . 1 1 5 5 ASN HA H 5 4.661 4.661 4.713 -0.052 25442 1526 1 4 . 1 1 5 5 ASN CA C 5 53.419 53.419 53.350 0.069 25442 1527 1 4 . 1 1 5 5 ASN CB C 5 39.059 39.059 38.917 0.142 25442 1528 1 4 . 1 1 5 5 ASN H H 5 7.954 7.954 8.687 -0.733 25442 1529 1 4 . 1 1 7 7 TYR N N 7 120.088 120.088 115.749 4.339 25442 1530 1 4 . 1 1 7 7 TYR HA H 7 4.463 4.463 4.176 0.287 25442 1531 1 4 . 1 1 7 7 TYR CA C 7 58.098 58.098 58.360 -0.262 25442 1532 1 4 . 1 1 7 7 TYR CB C 7 38.252 38.252 35.906 2.346 25442 1533 1 4 . 1 1 7 7 TYR H H 7 8.013 8.013 7.991 0.022 25442 1534 1 4 . 1 1 8 8 LYS N N 8 121.766 121.766 116.221 5.545 25442 1535 1 4 . 1 1 8 8 LYS HA H 8 4.174 4.174 4.032 0.142 25442 1536 1 4 . 1 1 8 8 LYS CA C 8 56.835 56.835 56.801 0.034 25442 1537 1 4 . 1 1 8 8 LYS CB C 8 32.997 32.997 32.703 0.294 25442 1538 1 4 . 1 1 8 8 LYS H H 8 7.845 7.845 7.728 0.117 25442 1539 1 4 . 1 1 9 9 ASP N N 9 119.739 119.739 120.455 -0.716 25442 1540 1 4 . 1 1 9 9 ASP HA H 9 4.477 4.477 4.664 -0.187 25442 1541 1 4 . 1 1 9 9 ASP CA C 9 54.660 54.660 53.627 1.033 25442 1542 1 4 . 1 1 9 9 ASP CB C 9 41.100 41.100 41.369 -0.269 25442 1543 1 4 . 1 1 9 9 ASP H H 9 8.043 8.043 8.480 -0.437 25442 1544 1 4 . 1 1 10 10 ASN N N 10 119.260 119.260 120.647 -1.387 25442 1545 1 4 . 1 1 10 10 ASN HA H 10 4.875 4.875 4.526 0.349 25442 1546 1 4 . 1 1 10 10 ASN CA C 10 53.255 53.255 53.091 0.164 25442 1547 1 4 . 1 1 10 10 ASN CB C 10 39.105 39.105 37.326 1.779 25442 1548 1 4 . 1 1 10 10 ASN H H 10 8.174 8.174 8.644 -0.470 25442 1549 1 4 . 1 1 11 11 ALA N N 11 122.869 122.869 123.543 -0.674 25442 1550 1 4 . 1 1 11 11 ALA HA H 11 4.544 4.544 4.431 0.113 25442 1551 1 4 . 1 1 11 11 ALA CA C 11 52.866 52.866 51.534 1.332 25442 1552 1 4 . 1 1 11 11 ALA H H 11 8.299 8.299 7.642 0.657 25442 1553 1 4 . 1 1 12 12 TYR N N 12 117.351 117.351 117.069 0.282 25442 1554 1 4 . 1 1 12 12 TYR HA H 12 5.220 5.220 4.881 0.339 25442 1555 1 4 . 1 1 12 12 TYR CA C 12 57.621 57.621 57.085 0.536 25442 1556 1 4 . 1 1 12 12 TYR CB C 12 41.631 41.631 43.554 -1.923 25442 1557 1 4 . 1 1 12 12 TYR H H 12 8.340 8.340 8.043 0.297 25442 1558 1 4 . 1 1 13 13 ILE N N 13 112.184 112.184 121.101 -8.917 25442 1559 1 4 . 1 1 13 13 ILE HA H 13 5.052 5.052 4.617 0.435 25442 1560 1 4 . 1 1 13 13 ILE CA C 13 59.995 59.995 60.991 -0.996 25442 1561 1 4 . 1 1 13 13 ILE CB C 13 40.418 40.418 38.833 1.585 25442 1562 1 4 . 1 1 13 13 ILE H H 13 9.216 9.216 8.719 0.497 25442 1563 1 4 . 1 1 14 14 TYR N N 14 123.504 123.504 130.259 -6.755 25442 1564 1 4 . 1 1 14 14 TYR HA H 14 4.690 4.690 4.809 -0.119 25442 1565 1 4 . 1 1 14 14 TYR CA C 14 56.688 56.688 58.723 -2.035 25442 1566 1 4 . 1 1 14 14 TYR CB C 14 40.564 40.564 38.825 1.739 25442 1567 1 4 . 1 1 14 14 TYR H H 14 9.086 9.086 9.492 -0.406 25442 1568 1 4 . 1 1 15 15 ILE N N 15 127.611 127.611 129.372 -1.761 25442 1569 1 4 . 1 1 15 15 ILE HA H 15 4.288 4.288 4.965 -0.677 25442 1570 1 4 . 1 1 15 15 ILE CA C 15 59.654 59.654 60.142 -0.488 25442 1571 1 4 . 1 1 15 15 ILE CB C 15 40.260 40.260 38.497 1.763 25442 1572 1 4 . 1 1 15 15 ILE H H 15 8.448 8.448 7.749 0.699 25442 1573 1 4 . 1 1 16 16 GLY N N 16 112.660 112.660 112.446 0.214 25442 1574 1 4 . 1 1 16 16 GLY CA C 16 43.240 43.240 43.538 -0.298 25442 1575 1 4 . 1 1 16 16 GLY H H 16 9.438 9.438 8.172 1.266 25442 1576 1 4 . 1 1 17 17 ASN N N 17 114.980 114.980 116.515 -1.535 25442 1577 1 4 . 1 1 17 17 ASN HA H 17 4.439 4.439 4.336 0.103 25442 1578 1 4 . 1 1 17 17 ASN CA C 17 53.251 53.251 54.033 -0.782 25442 1579 1 4 . 1 1 17 17 ASN CB C 17 38.259 38.259 37.962 0.298 25442 1580 1 4 . 1 1 17 17 ASN H H 17 8.497 8.497 8.624 -0.127 25442 1581 1 4 . 1 1 18 18 LEU N N 18 115.182 115.182 113.869 1.313 25442 1582 1 4 . 1 1 18 18 LEU HA H 18 4.068 4.068 4.602 -0.534 25442 1583 1 4 . 1 1 18 18 LEU CA C 18 54.073 54.073 53.701 0.372 25442 1584 1 4 . 1 1 18 18 LEU CB C 18 42.912 42.912 43.322 -0.410 25442 1585 1 4 . 1 1 18 18 LEU H H 18 7.859 7.859 7.330 0.529 25442 1586 1 4 . 1 1 19 19 ASN N N 19 122.392 122.392 118.456 3.936 25442 1587 1 4 . 1 1 19 19 ASN HA H 19 4.464 4.464 4.618 -0.154 25442 1588 1 4 . 1 1 19 19 ASN CA C 19 54.087 54.087 52.651 1.436 25442 1589 1 4 . 1 1 19 19 ASN CB C 19 38.703 38.703 39.787 -1.084 25442 1590 1 4 . 1 1 19 19 ASN H H 19 8.727 8.727 8.790 -0.063 25442 1591 1 4 . 1 1 20 20 ARG N N 20 126.283 126.283 126.508 -0.225 25442 1592 1 4 . 1 1 20 20 ARG HA H 20 3.937 3.937 3.987 -0.050 25442 1593 1 4 . 1 1 20 20 ARG CA C 20 58.719 58.719 58.359 0.360 25442 1594 1 4 . 1 1 20 20 ARG CB C 20 29.719 29.719 29.341 0.378 25442 1595 1 4 . 1 1 20 20 ARG H H 20 8.940 8.940 8.727 0.213 25442 1596 1 4 . 1 1 21 21 GLU N N 21 117.166 117.166 119.235 -2.069 25442 1597 1 4 . 1 1 21 21 GLU HA H 21 4.321 4.321 4.107 0.214 25442 1598 1 4 . 1 1 21 21 GLU CA C 21 56.778 56.778 57.396 -0.618 25442 1599 1 4 . 1 1 21 21 GLU H H 21 8.867 8.867 7.918 0.949 25442 1600 1 4 . 1 1 22 22 LEU N N 22 119.643 119.643 120.183 -0.540 25442 1601 1 4 . 1 1 22 22 LEU HA H 22 4.540 4.540 4.355 0.185 25442 1602 1 4 . 1 1 22 22 LEU CA C 22 55.505 55.505 55.057 0.448 25442 1603 1 4 . 1 1 22 22 LEU CB C 22 42.251 42.251 42.051 0.200 25442 1604 1 4 . 1 1 22 22 LEU H H 22 7.324 7.324 7.644 -0.321 25442 1605 1 4 . 1 1 23 23 THR N N 23 114.564 114.564 113.728 0.836 25442 1606 1 4 . 1 1 23 23 THR HA H 23 4.483 4.483 4.545 -0.062 25442 1607 1 4 . 1 1 23 23 THR CA C 23 60.155 60.155 59.712 0.442 25442 1608 1 4 . 1 1 23 23 THR CB C 23 73.000 73.000 71.311 1.689 25442 1609 1 4 . 1 1 23 23 THR H H 23 9.483 9.483 8.505 0.978 25442 1610 1 4 . 1 1 24 24 GLU N N 24 120.458 120.458 121.018 -0.560 25442 1611 1 4 . 1 1 24 24 GLU HA H 24 3.604 3.604 4.059 -0.455 25442 1612 1 4 . 1 1 24 24 GLU CA C 24 62.158 62.158 60.590 1.568 25442 1613 1 4 . 1 1 24 24 GLU H H 24 10.410 10.410 9.008 1.402 25442 1614 1 4 . 1 1 25 25 GLY N N 25 105.261 105.261 106.686 -1.425 25442 1615 1 4 . 1 1 25 25 GLY CA C 25 47.219 47.219 46.940 0.279 25442 1616 1 4 . 1 1 25 25 GLY H H 25 8.402 8.402 8.440 -0.038 25442 1617 1 4 . 1 1 26 26 ASP N N 26 122.820 122.820 123.084 -0.264 25442 1618 1 4 . 1 1 26 26 ASP HA H 26 4.515 4.515 4.453 0.062 25442 1619 1 4 . 1 1 26 26 ASP CA C 26 58.005 58.005 57.181 0.824 25442 1620 1 4 . 1 1 26 26 ASP CB C 26 41.261 41.261 40.500 0.761 25442 1621 1 4 . 1 1 26 26 ASP H H 26 7.539 7.539 7.571 -0.032 25442 1622 1 4 . 1 1 27 27 ILE N N 27 118.686 118.686 120.636 -1.950 25442 1623 1 4 . 1 1 27 27 ILE HA H 27 3.609 3.609 3.819 -0.210 25442 1624 1 4 . 1 1 27 27 ILE CA C 27 65.348 65.348 65.352 -0.004 25442 1625 1 4 . 1 1 27 27 ILE CB C 27 37.789 37.789 37.940 -0.150 25442 1626 1 4 . 1 1 27 27 ILE H H 27 7.832 7.832 7.962 -0.130 25442 1627 1 4 . 1 1 28 28 LEU N N 28 119.737 119.737 120.361 -0.624 25442 1628 1 4 . 1 1 28 28 LEU HA H 28 3.790 3.790 3.895 -0.105 25442 1629 1 4 . 1 1 28 28 LEU CA C 28 59.040 59.040 58.823 0.217 25442 1630 1 4 . 1 1 28 28 LEU CB C 28 42.520 42.520 41.510 1.010 25442 1631 1 4 . 1 1 28 28 LEU H H 28 8.731 8.731 7.775 0.956 25442 1632 1 4 . 1 1 29 29 THR N N 29 119.509 119.509 114.853 4.656 25442 1633 1 4 . 1 1 29 29 THR HA H 29 4.045 4.045 4.004 0.041 25442 1634 1 4 . 1 1 29 29 THR CA C 29 67.196 67.196 66.786 0.410 25442 1635 1 4 . 1 1 29 29 THR CB C 29 69.194 69.194 68.787 0.407 25442 1636 1 4 . 1 1 29 29 THR H H 29 8.251 8.251 7.860 0.391 25442 1637 1 4 . 1 1 30 30 VAL N N 30 117.974 117.974 121.147 -3.173 25442 1638 1 4 . 1 1 30 30 VAL HA H 30 3.869 3.869 3.806 0.063 25442 1639 1 4 . 1 1 30 30 VAL CA C 30 65.727 65.727 66.178 -0.451 25442 1640 1 4 . 1 1 30 30 VAL CB C 30 32.912 32.912 32.082 0.830 25442 1641 1 4 . 1 1 30 30 VAL H H 30 7.627 7.627 7.996 -0.369 25442 1642 1 4 . 1 1 31 31 PHE N N 31 113.937 113.937 116.323 -2.386 25442 1643 1 4 . 1 1 31 31 PHE HA H 31 3.908 3.908 4.864 -0.957 25442 1644 1 4 . 1 1 31 31 PHE CA C 31 62.044 62.044 59.505 2.539 25442 1645 1 4 . 1 1 31 31 PHE CB C 31 37.217 37.217 39.478 -2.261 25442 1646 1 4 . 1 1 31 31 PHE H H 31 8.903 8.903 8.725 0.178 25442 1647 1 4 . 1 1 32 32 SER N N 32 118.854 118.854 117.756 1.098 25442 1648 1 4 . 1 1 32 32 SER HA H 32 5.405 5.405 4.094 1.311 25442 1649 1 4 . 1 1 32 32 SER CA C 32 61.282 61.282 61.870 -0.588 25442 1650 1 4 . 1 1 32 32 SER CB C 32 64.055 64.055 62.077 1.978 25442 1651 1 4 . 1 1 32 32 SER H H 32 8.024 8.024 8.778 -0.754 25442 1652 1 4 . 1 1 33 33 GLU N N 33 121.203 121.203 120.508 0.695 25442 1653 1 4 . 1 1 33 33 GLU HA H 33 2.246 2.246 4.012 -1.766 25442 1654 1 4 . 1 1 33 33 GLU CA C 33 59.596 59.596 57.387 2.209 25442 1655 1 4 . 1 1 33 33 GLU H H 33 6.935 6.935 8.046 -1.111 25442 1656 1 4 . 1 1 34 34 TYR N N 34 108.039 108.039 120.364 -12.325 25442 1657 1 4 . 1 1 34 34 TYR HA H 34 4.953 4.953 4.648 0.305 25442 1658 1 4 . 1 1 34 34 TYR CA C 34 57.226 57.226 57.096 0.130 25442 1659 1 4 . 1 1 34 34 TYR CB C 34 38.821 38.821 37.928 0.893 25442 1660 1 4 . 1 1 34 34 TYR H H 34 6.254 6.254 7.485 -1.231 25442 1661 1 4 . 1 1 35 35 GLY N N 35 103.601 103.601 107.771 -4.170 25442 1662 1 4 . 1 1 35 35 GLY CA C 35 44.594 44.594 45.040 -0.446 25442 1663 1 4 . 1 1 35 35 GLY H H 35 7.247 7.247 7.602 -0.355 25442 1664 1 4 . 1 1 36 36 VAL N N 36 120.482 120.482 122.910 -2.428 25442 1665 1 4 . 1 1 36 36 VAL HA H 36 4.537 4.537 4.223 0.314 25442 1666 1 4 . 1 1 36 36 VAL CA C 36 59.942 59.942 60.065 -0.123 25442 1667 1 4 . 1 1 36 36 VAL CB C 36 33.989 33.989 32.753 1.236 25442 1668 1 4 . 1 1 36 36 VAL H H 36 8.549 8.549 7.726 0.823 25442 1669 1 4 . 1 1 37 37 PRO HA H 37 4.543 4.543 4.653 -0.110 25442 1670 1 4 . 1 1 37 37 PRO CA C 37 62.043 62.043 62.182 -0.140 25442 1671 1 4 . 1 1 37 37 PRO CB C 37 31.531 31.531 32.574 -1.043 25442 1672 1 4 . 1 1 38 38 VAL N N 38 118.566 118.566 114.459 4.107 25442 1673 1 4 . 1 1 38 38 VAL HA H 38 4.439 4.439 4.316 0.123 25442 1674 1 4 . 1 1 38 38 VAL CA C 38 61.064 61.064 62.248 -1.184 25442 1675 1 4 . 1 1 38 38 VAL CB C 38 32.842 32.842 32.441 0.401 25442 1676 1 4 . 1 1 38 38 VAL H H 38 9.099 9.099 8.121 0.978 25442 1677 1 4 . 1 1 39 39 ASP N N 39 118.912 118.912 119.025 -0.113 25442 1678 1 4 . 1 1 39 39 ASP HA H 39 4.920 4.920 4.800 0.120 25442 1679 1 4 . 1 1 39 39 ASP CA C 39 54.860 54.860 54.260 0.600 25442 1680 1 4 . 1 1 39 39 ASP CB C 39 44.441 44.441 44.711 -0.270 25442 1681 1 4 . 1 1 39 39 ASP H H 39 7.300 7.300 7.591 -0.291 25442 1682 1 4 . 1 1 40 40 VAL N N 40 123.365 123.365 122.476 0.889 25442 1683 1 4 . 1 1 40 40 VAL HA H 40 4.759 4.759 4.367 0.392 25442 1684 1 4 . 1 1 40 40 VAL CA C 40 61.259 61.259 61.255 0.004 25442 1685 1 4 . 1 1 40 40 VAL CB C 40 34.464 34.464 34.042 0.422 25442 1686 1 4 . 1 1 40 40 VAL H H 40 8.052 8.052 8.336 -0.284 25442 1687 1 4 . 1 1 41 41 ILE N N 41 127.951 127.951 128.565 -0.614 25442 1688 1 4 . 1 1 41 41 ILE HA H 41 4.361 4.361 4.395 -0.034 25442 1689 1 4 . 1 1 41 41 ILE CA C 41 60.204 60.204 60.398 -0.194 25442 1690 1 4 . 1 1 41 41 ILE CB C 41 41.220 41.220 39.795 1.425 25442 1691 1 4 . 1 1 41 41 ILE H H 41 9.031 9.031 9.166 -0.135 25442 1692 1 4 . 1 1 42 42 LEU N N 42 130.034 130.034 128.521 1.513 25442 1693 1 4 . 1 1 42 42 LEU HA H 42 4.415 4.415 4.548 -0.133 25442 1694 1 4 . 1 1 42 42 LEU CA C 42 53.832 53.832 53.513 0.320 25442 1695 1 4 . 1 1 42 42 LEU CB C 42 44.353 44.353 43.279 1.074 25442 1696 1 4 . 1 1 42 42 LEU H H 42 8.935 8.935 8.665 0.270 25442 1697 1 4 . 1 1 43 43 SER N N 43 121.977 121.977 119.865 2.112 25442 1698 1 4 . 1 1 43 43 SER HA H 43 4.092 4.092 4.513 -0.421 25442 1699 1 4 . 1 1 43 43 SER CA C 43 59.298 59.298 59.603 -0.305 25442 1700 1 4 . 1 1 43 43 SER CB C 43 62.879 62.879 63.498 -0.619 25442 1701 1 4 . 1 1 43 43 SER H H 43 8.088 8.088 8.169 -0.081 25442 1702 1 4 . 1 1 44 44 ARG N N 44 125.852 125.852 122.310 3.542 25442 1703 1 4 . 1 1 44 44 ARG HA H 44 4.906 4.906 4.597 0.309 25442 1704 1 4 . 1 1 44 44 ARG CA C 44 54.363 54.363 54.905 -0.542 25442 1705 1 4 . 1 1 44 44 ARG CB C 44 34.095 34.095 32.861 1.234 25442 1706 1 4 . 1 1 44 44 ARG H H 44 8.081 8.081 8.205 -0.124 25442 1707 1 4 . 1 1 45 45 ASP N N 45 123.150 123.150 120.602 2.548 25442 1708 1 4 . 1 1 45 45 ASP HA H 45 4.425 4.425 4.669 -0.244 25442 1709 1 4 . 1 1 45 45 ASP CA C 45 54.728 54.728 52.881 1.847 25442 1710 1 4 . 1 1 45 45 ASP CB C 45 43.318 43.318 40.723 2.595 25442 1711 1 4 . 1 1 45 45 ASP H H 45 8.594 8.594 8.656 -0.062 25442 1712 1 4 . 1 1 46 46 GLU N N 46 127.786 127.786 124.479 3.307 25442 1713 1 4 . 1 1 46 46 GLU HA H 46 4.048 4.048 4.047 0.001 25442 1714 1 4 . 1 1 46 46 GLU CA C 46 59.018 59.018 58.398 0.620 25442 1715 1 4 . 1 1 46 46 GLU CB C 46 29.870 29.870 29.623 0.247 25442 1716 1 4 . 1 1 46 46 GLU H H 46 9.250 9.250 8.821 0.429 25442 1717 1 4 . 1 1 47 47 ASN N N 47 116.105 116.105 116.360 -0.255 25442 1718 1 4 . 1 1 47 47 ASN HA H 47 4.825 4.825 4.579 0.246 25442 1719 1 4 . 1 1 47 47 ASN CA C 47 55.321 55.321 55.449 -0.128 25442 1720 1 4 . 1 1 47 47 ASN CB C 47 39.927 39.927 38.899 1.028 25442 1721 1 4 . 1 1 47 47 ASN H H 47 8.857 8.857 8.950 -0.093 25442 1722 1 4 . 1 1 48 48 THR N N 48 108.395 108.395 111.330 -2.935 25442 1723 1 4 . 1 1 48 48 THR HA H 48 4.461 4.461 4.446 0.015 25442 1724 1 4 . 1 1 48 48 THR CA C 48 61.883 61.883 62.409 -0.526 25442 1725 1 4 . 1 1 48 48 THR CB C 48 71.194 71.194 70.238 0.956 25442 1726 1 4 . 1 1 48 48 THR H H 48 8.539 8.539 7.763 0.776 25442 1727 1 4 . 1 1 49 49 GLY N N 49 110.910 110.910 110.390 0.520 25442 1728 1 4 . 1 1 49 49 GLY CA C 49 45.706 45.706 44.800 0.906 25442 1729 1 4 . 1 1 49 49 GLY H H 49 8.293 8.293 7.588 0.705 25442 1730 1 4 . 1 1 50 50 GLU N N 50 120.328 120.328 118.763 1.565 25442 1731 1 4 . 1 1 50 50 GLU HA H 50 4.162 4.162 4.210 -0.048 25442 1732 1 4 . 1 1 50 50 GLU CA C 50 56.540 56.540 55.884 0.656 25442 1733 1 4 . 1 1 50 50 GLU CB C 50 30.948 30.948 30.222 0.726 25442 1734 1 4 . 1 1 50 50 GLU H H 50 7.854 7.854 8.112 -0.258 25442 1735 1 4 . 1 1 51 51 SER N N 51 117.235 117.235 115.999 1.236 25442 1736 1 4 . 1 1 51 51 SER HA H 51 4.391 4.391 4.342 0.049 25442 1737 1 4 . 1 1 51 51 SER CA C 51 58.361 58.361 59.099 -0.738 25442 1738 1 4 . 1 1 51 51 SER CB C 51 64.438 64.438 63.549 0.889 25442 1739 1 4 . 1 1 51 51 SER H H 51 8.950 8.950 8.433 0.517 25442 1740 1 4 . 1 1 52 52 GLN N N 52 122.996 122.996 123.160 -0.164 25442 1741 1 4 . 1 1 52 52 GLN HA H 52 4.516 4.516 4.440 0.076 25442 1742 1 4 . 1 1 52 52 GLN CA C 52 55.406 55.406 56.444 -1.038 25442 1743 1 4 . 1 1 52 52 GLN CB C 52 29.624 29.624 28.985 0.639 25442 1744 1 4 . 1 1 52 52 GLN H H 52 8.929 8.929 8.313 0.616 25442 1745 1 4 . 1 1 53 53 GLY N N 53 106.139 106.139 106.536 -0.397 25442 1746 1 4 . 1 1 53 53 GLY CA C 53 46.434 46.434 44.303 2.131 25442 1747 1 4 . 1 1 53 53 GLY H H 53 8.876 8.876 8.417 0.459 25442 1748 1 4 . 1 1 54 54 PHE N N 54 112.294 112.294 118.430 -6.136 25442 1749 1 4 . 1 1 54 54 PHE HA H 54 5.436 5.436 5.369 0.067 25442 1750 1 4 . 1 1 54 54 PHE CA C 54 55.464 55.464 54.922 0.542 25442 1751 1 4 . 1 1 54 54 PHE CB C 54 41.207 41.207 42.598 -1.391 25442 1752 1 4 . 1 1 54 54 PHE H H 54 6.938 6.938 7.093 -0.155 25442 1753 1 4 . 1 1 55 55 ALA N N 55 121.935 121.935 121.496 0.439 25442 1754 1 4 . 1 1 55 55 ALA HA H 55 5.051 5.051 4.640 0.411 25442 1755 1 4 . 1 1 55 55 ALA CA C 55 49.517 49.517 50.874 -1.357 25442 1756 1 4 . 1 1 55 55 ALA CB C 55 24.966 24.966 22.507 2.459 25442 1757 1 4 . 1 1 55 55 ALA H H 55 9.098 9.098 8.074 1.024 25442 1758 1 4 . 1 1 56 56 TYR N N 56 114.799 114.799 118.406 -3.607 25442 1759 1 4 . 1 1 56 56 TYR HA H 56 5.652 5.652 5.326 0.326 25442 1760 1 4 . 1 1 56 56 TYR CA C 56 56.128 56.128 55.848 0.280 25442 1761 1 4 . 1 1 56 56 TYR CB C 56 42.405 42.405 40.531 1.874 25442 1762 1 4 . 1 1 56 56 TYR H H 56 8.572 8.572 8.937 -0.365 25442 1763 1 4 . 1 1 57 57 LEU N N 57 123.129 123.129 120.379 2.750 25442 1764 1 4 . 1 1 57 57 LEU HA H 57 5.100 5.100 5.296 -0.196 25442 1765 1 4 . 1 1 57 57 LEU CA C 57 54.552 54.552 53.539 1.013 25442 1766 1 4 . 1 1 57 57 LEU H H 57 8.600 8.600 8.899 -0.299 25442 1767 1 4 . 1 1 58 58 LYS N N 58 126.556 126.556 122.263 4.293 25442 1768 1 4 . 1 1 58 58 LYS HA H 58 4.553 4.553 4.089 0.464 25442 1769 1 4 . 1 1 58 58 LYS CA C 58 54.518 54.518 54.551 -0.033 25442 1770 1 4 . 1 1 58 58 LYS CB C 58 36.254 36.254 34.490 1.764 25442 1771 1 4 . 1 1 58 58 LYS H H 58 8.389 8.389 8.150 0.239 25442 1772 1 4 . 1 1 59 59 TYR N N 59 126.761 126.761 122.751 4.010 25442 1773 1 4 . 1 1 59 59 TYR HA H 59 5.061 5.061 4.730 0.331 25442 1774 1 4 . 1 1 59 59 TYR CA C 59 58.271 58.271 55.886 2.385 25442 1775 1 4 . 1 1 59 59 TYR H H 59 9.035 9.035 7.803 1.232 25442 1776 1 4 . 1 1 60 60 GLU N N 60 120.097 120.097 120.347 -0.250 25442 1777 1 4 . 1 1 60 60 GLU HA H 60 3.890 3.890 4.195 -0.305 25442 1778 1 4 . 1 1 60 60 GLU CA C 60 59.244 59.244 57.624 1.620 25442 1779 1 4 . 1 1 60 60 GLU CB C 60 31.145 31.145 30.349 0.796 25442 1780 1 4 . 1 1 60 60 GLU H H 60 8.796 8.796 8.816 -0.020 25442 1781 1 4 . 1 1 61 61 ASP N N 61 117.697 117.697 117.451 0.246 25442 1782 1 4 . 1 1 61 61 ASP HA H 61 4.842 4.842 4.999 -0.157 25442 1783 1 4 . 1 1 61 61 ASP CA C 61 51.550 51.550 53.300 -1.750 25442 1784 1 4 . 1 1 61 61 ASP CB C 61 43.258 43.258 42.548 0.709 25442 1785 1 4 . 1 1 61 61 ASP H H 61 8.006 8.006 8.194 -0.188 25442 1786 1 4 . 1 1 62 62 GLN N N 62 126.321 126.321 121.323 4.998 25442 1787 1 4 . 1 1 62 62 GLN HA H 62 4.223 4.223 3.547 0.676 25442 1788 1 4 . 1 1 62 62 GLN CA C 62 58.637 58.637 58.780 -0.143 25442 1789 1 4 . 1 1 62 62 GLN CB C 62 27.994 27.994 28.409 -0.415 25442 1790 1 4 . 1 1 62 62 GLN H H 62 9.053 9.053 8.874 0.179 25442 1791 1 4 . 1 1 63 63 ARG N N 63 121.086 121.086 119.162 1.924 25442 1792 1 4 . 1 1 63 63 ARG HA H 63 3.654 3.654 3.912 -0.258 25442 1793 1 4 . 1 1 63 63 ARG CA C 63 58.971 58.971 59.385 -0.414 25442 1794 1 4 . 1 1 63 63 ARG H H 63 8.960 8.960 8.534 0.426 25442 1795 1 4 . 1 1 64 64 SER N N 64 114.891 114.891 113.339 1.552 25442 1796 1 4 . 1 1 64 64 SER HA H 64 3.704 3.704 4.207 -0.503 25442 1797 1 4 . 1 1 64 64 SER CA C 64 63.589 63.589 61.761 1.828 25442 1798 1 4 . 1 1 64 64 SER H H 64 8.143 8.143 7.828 0.315 25442 1799 1 4 . 1 1 65 65 THR N N 65 111.019 111.019 117.123 -6.104 25442 1800 1 4 . 1 1 65 65 THR HA H 65 3.765 3.765 4.109 -0.344 25442 1801 1 4 . 1 1 65 65 THR CA C 65 66.198 66.198 65.612 0.586 25442 1802 1 4 . 1 1 65 65 THR CB C 65 68.461 68.461 67.889 0.572 25442 1803 1 4 . 1 1 65 65 THR H H 65 7.633 7.633 7.257 0.376 25442 1804 1 4 . 1 1 66 66 ILE N N 66 123.242 123.242 122.593 0.649 25442 1805 1 4 . 1 1 66 66 ILE HA H 66 3.673 3.673 3.707 -0.034 25442 1806 1 4 . 1 1 66 66 ILE CA C 66 64.506 64.506 65.128 -0.622 25442 1807 1 4 . 1 1 66 66 ILE CB C 66 38.668 38.668 37.604 1.064 25442 1808 1 4 . 1 1 66 66 ILE H H 66 6.648 6.648 7.440 -0.792 25442 1809 1 4 . 1 1 67 67 LEU N N 67 113.375 113.375 120.211 -6.836 25442 1810 1 4 . 1 1 67 67 LEU HA H 67 3.627 3.627 3.873 -0.246 25442 1811 1 4 . 1 1 67 67 LEU CA C 67 57.678 57.678 58.190 -0.512 25442 1812 1 4 . 1 1 67 67 LEU CB C 67 41.866 41.866 41.681 0.185 25442 1813 1 4 . 1 1 67 67 LEU H H 67 6.899 6.899 8.025 -1.126 25442 1814 1 4 . 1 1 68 68 ALA N N 68 120.327 120.327 120.671 -0.344 25442 1815 1 4 . 1 1 68 68 ALA HA H 68 3.406 3.406 3.562 -0.156 25442 1816 1 4 . 1 1 68 68 ALA CA C 68 55.643 55.643 54.964 0.679 25442 1817 1 4 . 1 1 68 68 ALA CB C 68 19.395 19.395 18.350 1.045 25442 1818 1 4 . 1 1 68 68 ALA H H 68 8.201 8.201 8.177 0.024 25442 1819 1 4 . 1 1 69 69 VAL N N 69 118.977 118.977 119.356 -0.379 25442 1820 1 4 . 1 1 69 69 VAL HA H 69 3.221 3.221 3.567 -0.346 25442 1821 1 4 . 1 1 69 69 VAL CA C 69 67.039 67.039 66.803 0.236 25442 1822 1 4 . 1 1 69 69 VAL CB C 69 31.896 31.896 31.368 0.528 25442 1823 1 4 . 1 1 69 69 VAL H H 69 8.235 8.235 8.235 0.000 25442 1824 1 4 . 1 1 70 70 ASP N N 70 116.894 116.894 118.596 -1.702 25442 1825 1 4 . 1 1 70 70 ASP HA H 70 3.941 3.941 4.407 -0.466 25442 1826 1 4 . 1 1 70 70 ASP CA C 70 57.576 57.576 56.756 0.820 25442 1827 1 4 . 1 1 70 70 ASP CB C 70 39.037 39.037 40.258 -1.221 25442 1828 1 4 . 1 1 70 70 ASP H H 70 8.152 8.152 7.754 0.398 25442 1829 1 4 . 1 1 71 71 ASN N N 71 110.936 110.936 116.842 -5.906 25442 1830 1 4 . 1 1 71 71 ASN HA H 71 5.009 5.009 4.439 0.570 25442 1831 1 4 . 1 1 71 71 ASN CA C 71 55.710 55.710 55.356 0.353 25442 1832 1 4 . 1 1 71 71 ASN CB C 71 42.091 42.091 38.869 3.222 25442 1833 1 4 . 1 1 71 71 ASN H H 71 7.562 7.562 7.892 -0.330 25442 1834 1 4 . 1 1 72 72 LEU N N 72 116.460 116.460 115.372 1.088 25442 1835 1 4 . 1 1 72 72 LEU HA H 72 4.686 4.686 4.501 0.185 25442 1836 1 4 . 1 1 72 72 LEU CA C 72 54.411 54.411 54.114 0.297 25442 1837 1 4 . 1 1 72 72 LEU CB C 72 42.477 42.477 42.279 0.198 25442 1838 1 4 . 1 1 72 72 LEU H H 72 8.406 8.406 7.845 0.561 25442 1839 1 4 . 1 1 73 73 ASN N N 73 118.618 118.618 119.529 -0.911 25442 1840 1 4 . 1 1 73 73 ASN HA H 73 4.419 4.419 4.647 -0.228 25442 1841 1 4 . 1 1 73 73 ASN CA C 73 56.716 56.716 54.011 2.705 25442 1842 1 4 . 1 1 73 73 ASN CB C 73 39.452 39.452 37.988 1.464 25442 1843 1 4 . 1 1 73 73 ASN H H 73 6.956 6.956 8.255 -1.299 25442 1844 1 4 . 1 1 74 74 GLY N N 74 116.095 116.095 113.489 2.606 25442 1845 1 4 . 1 1 74 74 GLY CA C 74 45.912 45.912 44.924 0.988 25442 1846 1 4 . 1 1 74 74 GLY H H 74 9.379 9.379 8.318 1.061 25442 1847 1 4 . 1 1 75 75 PHE N N 75 123.354 123.354 123.573 -0.219 25442 1848 1 4 . 1 1 75 75 PHE HA H 75 4.311 4.311 4.677 -0.366 25442 1849 1 4 . 1 1 75 75 PHE CA C 75 58.979 58.979 55.713 3.266 25442 1850 1 4 . 1 1 75 75 PHE CB C 75 41.709 41.709 40.143 1.566 25442 1851 1 4 . 1 1 75 75 PHE H H 75 8.211 8.211 7.582 0.629 25442 1852 1 4 . 1 1 76 76 LYS N N 76 127.267 127.267 126.456 0.811 25442 1853 1 4 . 1 1 76 76 LYS HA H 76 4.598 4.598 4.136 0.462 25442 1854 1 4 . 1 1 76 76 LYS CA C 76 56.529 56.529 55.856 0.673 25442 1855 1 4 . 1 1 76 76 LYS CB C 76 33.073 33.073 33.206 -0.133 25442 1856 1 4 . 1 1 76 76 LYS H H 76 7.648 7.648 8.464 -0.816 25442 1857 1 4 . 1 1 77 77 ILE N N 77 121.576 121.576 122.587 -1.011 25442 1858 1 4 . 1 1 77 77 ILE HA H 77 4.406 4.406 3.930 0.476 25442 1859 1 4 . 1 1 77 77 ILE CA C 77 60.214 60.214 60.763 -0.549 25442 1860 1 4 . 1 1 77 77 ILE CB C 77 40.048 40.048 40.129 -0.081 25442 1861 1 4 . 1 1 77 77 ILE H H 77 8.100 8.100 8.582 -0.482 25442 1862 1 4 . 1 1 78 78 GLY CA C 78 47.118 47.118 45.271 1.847 25442 1863 1 4 . 1 1 79 79 GLY CA C 79 45.171 45.171 44.788 0.383 25442 1864 1 4 . 1 1 80 80 ARG N N 80 119.377 119.377 121.622 -2.245 25442 1865 1 4 . 1 1 80 80 ARG HA H 80 4.650 4.650 4.594 0.056 25442 1866 1 4 . 1 1 80 80 ARG CA C 80 54.849 54.849 54.072 0.777 25442 1867 1 4 . 1 1 80 80 ARG CB C 80 33.411 33.411 32.904 0.507 25442 1868 1 4 . 1 1 80 80 ARG H H 80 7.379 7.379 7.439 -0.060 25442 1869 1 4 . 1 1 81 81 ALA N N 81 126.782 126.782 127.176 -0.394 25442 1870 1 4 . 1 1 81 81 ALA HA H 81 4.137 4.137 4.404 -0.267 25442 1871 1 4 . 1 1 81 81 ALA CA C 81 51.454 51.454 50.715 0.738 25442 1872 1 4 . 1 1 81 81 ALA CB C 81 19.131 19.131 19.593 -0.462 25442 1873 1 4 . 1 1 81 81 ALA H H 81 8.734 8.734 8.411 0.323 25442 1874 1 4 . 1 1 82 82 LEU N N 82 125.769 125.769 121.658 4.111 25442 1875 1 4 . 1 1 82 82 LEU HA H 82 4.390 4.390 4.827 -0.437 25442 1876 1 4 . 1 1 82 82 LEU CA C 82 56.196 56.196 54.469 1.727 25442 1877 1 4 . 1 1 82 82 LEU CB C 82 43.362 43.362 42.743 0.619 25442 1878 1 4 . 1 1 82 82 LEU H H 82 8.736 8.736 8.211 0.525 25442 1879 1 4 . 1 1 83 83 LYS N N 83 123.851 123.851 121.222 2.629 25442 1880 1 4 . 1 1 83 83 LYS HA H 83 5.005 5.005 4.669 0.336 25442 1881 1 4 . 1 1 83 83 LYS CA C 83 54.790 54.790 54.948 -0.158 25442 1882 1 4 . 1 1 83 83 LYS CB C 83 34.212 34.212 34.419 -0.207 25442 1883 1 4 . 1 1 83 83 LYS H H 83 7.838 7.838 8.840 -1.002 25442 1884 1 4 . 1 1 84 84 ILE N N 84 125.629 125.629 126.435 -0.806 25442 1885 1 4 . 1 1 84 84 ILE HA H 84 5.576 5.576 4.950 0.626 25442 1886 1 4 . 1 1 84 84 ILE CA C 84 58.513 58.513 58.983 -0.470 25442 1887 1 4 . 1 1 84 84 ILE CB C 84 40.310 40.310 37.499 2.811 25442 1888 1 4 . 1 1 84 84 ILE H H 84 8.727 8.727 8.642 0.085 25442 1889 1 4 . 1 1 85 85 ASP N N 85 124.427 124.427 127.900 -3.473 25442 1890 1 4 . 1 1 85 85 ASP HA H 85 5.094 5.094 4.848 0.246 25442 1891 1 4 . 1 1 85 85 ASP CA C 85 52.697 52.697 52.791 -0.094 25442 1892 1 4 . 1 1 85 85 ASP CB C 85 45.574 45.574 44.432 1.141 25442 1893 1 4 . 1 1 85 85 ASP H H 85 8.960 8.960 8.511 0.449 25442 1894 1 4 . 1 1 86 86 HIS N N 86 121.356 121.356 121.837 -0.481 25442 1895 1 4 . 1 1 86 86 HIS HA H 86 4.635 4.635 4.937 -0.302 25442 1896 1 4 . 1 1 86 86 HIS CA C 86 58.158 58.158 56.741 1.417 25442 1897 1 4 . 1 1 86 86 HIS CB C 86 31.368 31.368 30.787 0.581 25442 1898 1 4 . 1 1 86 86 HIS H H 86 8.783 8.783 8.342 0.441 25442 1899 1 4 . 1 1 87 87 THR N N 87 114.331 114.331 115.488 -1.157 25442 1900 1 4 . 1 1 87 87 THR HA H 87 4.691 4.691 4.653 0.038 25442 1901 1 4 . 1 1 87 87 THR CA C 87 60.890 60.890 59.822 1.068 25442 1902 1 4 . 1 1 87 87 THR CB C 87 70.215 70.215 70.771 -0.556 25442 1903 1 4 . 1 1 87 87 THR H H 87 8.032 8.032 8.893 -0.861 25442 1904 1 4 . 1 1 88 88 PHE N N 88 118.673 118.673 125.370 -6.697 25442 1905 1 4 . 1 1 88 88 PHE HA H 88 4.305 4.305 4.657 -0.352 25442 1906 1 4 . 1 1 88 88 PHE CA C 88 58.926 58.926 57.584 1.342 25442 1907 1 4 . 1 1 88 88 PHE CB C 88 39.673 39.673 39.004 0.669 25442 1908 1 4 . 1 1 88 88 PHE H H 88 8.233 8.233 8.933 -0.700 25442 1909 1 4 . 1 1 89 89 TYR N N 89 124.182 124.182 123.168 1.014 25442 1910 1 4 . 1 1 89 89 TYR HA H 89 4.193 4.193 4.148 0.045 25442 1911 1 4 . 1 1 89 89 TYR CA C 89 58.510 58.510 59.465 -0.956 25442 1912 1 4 . 1 1 89 89 TYR CB C 89 39.993 39.993 38.681 1.312 25442 1913 1 4 . 1 1 89 89 TYR H H 89 8.246 8.246 7.617 0.629 25442 1914 1 4 . 1 1 90 90 ARG N N 90 125.111 125.111 127.401 -2.290 25442 1915 1 4 . 1 1 90 90 ARG HA H 90 4.219 4.219 4.390 -0.171 25442 1916 1 4 . 1 1 90 90 ARG CA C 90 52.511 52.511 52.144 0.367 25442 1917 1 4 . 1 1 90 90 ARG CB C 90 31.298 31.298 30.561 0.737 25442 1918 1 4 . 1 1 90 90 ARG H H 90 7.223 7.223 7.938 -0.715 25442 1919 1 4 . 1 1 91 91 PRO HA H 91 4.028 4.028 3.908 0.120 25442 1920 1 4 . 1 1 91 91 PRO CA C 91 62.759 62.759 63.254 -0.495 25442 1921 1 4 . 1 1 91 91 PRO CB C 91 32.074 32.074 31.612 0.462 25442 1922 1 4 . 1 1 94 94 SER HA H 94 4.466 4.466 4.573 -0.107 25442 1923 1 4 . 1 1 94 94 SER CA C 94 58.273 58.273 57.706 0.567 25442 1924 1 4 . 1 1 94 94 SER CB C 94 63.656 63.656 65.405 -1.749 25442 1925 1 4 . 1 1 95 95 LEU HA H 95 4.369 4.369 4.418 -0.049 25442 1926 1 4 . 1 1 95 95 LEU CA C 95 55.482 55.482 54.071 1.411 25442 1927 1 4 . 1 1 95 95 LEU CB C 95 42.350 42.350 41.303 1.047 25442 1928 1 4 . 1 1 97 97 LYS HA H 97 4.197 4.197 4.097 0.100 25442 1929 1 4 . 1 1 97 97 LYS CA C 97 56.923 56.923 57.511 -0.588 25442 1930 1 4 . 1 1 97 97 LYS CB C 97 32.936 32.936 30.440 2.496 25442 1931 1 4 . 1 1 98 98 TYR N N 98 120.486 120.486 114.122 6.364 25442 1932 1 4 . 1 1 98 98 TYR HA H 98 4.477 4.477 4.698 -0.221 25442 1933 1 4 . 1 1 98 98 TYR CA C 98 58.249 58.249 56.224 2.025 25442 1934 1 4 . 1 1 98 98 TYR CB C 98 38.659 38.659 38.450 0.209 25442 1935 1 4 . 1 1 98 98 TYR H H 98 7.979 7.979 8.170 -0.191 25442 1936 1 4 . 1 1 99 99 TYR N N 99 120.784 120.784 123.830 -3.046 25442 1937 1 4 . 1 1 99 99 TYR HA H 99 4.455 4.455 3.657 0.798 25442 1938 1 4 . 1 1 99 99 TYR CA C 99 58.281 58.281 60.932 -2.651 25442 1939 1 4 . 1 1 99 99 TYR CB C 99 38.902 38.902 38.053 0.849 25442 1940 1 4 . 1 1 99 99 TYR H H 99 7.918 7.918 8.377 -0.459 25442 1941 1 4 . 1 1 100 100 GLU N N 100 122.033 122.033 118.440 3.593 25442 1942 1 4 . 1 1 100 100 GLU HA H 100 4.171 4.171 3.908 0.263 25442 1943 1 4 . 1 1 100 100 GLU CA C 100 56.766 56.766 58.594 -1.828 25442 1944 1 4 . 1 1 100 100 GLU H H 100 8.055 8.055 8.673 -0.618 25442 1945 1 4 . 1 1 101 101 ALA N N 101 124.629 124.629 120.493 4.136 25442 1946 1 4 . 1 1 101 101 ALA HA H 101 4.283 4.283 4.105 0.178 25442 1947 1 4 . 1 1 101 101 ALA CA C 101 52.795 52.795 53.734 -0.940 25442 1948 1 4 . 1 1 101 101 ALA CB C 101 19.150 19.150 19.243 -0.093 25442 1949 1 4 . 1 1 101 101 ALA H H 101 8.040 8.040 7.406 0.634 25442 1950 1 4 . 1 1 102 102 VAL N N 102 119.031 119.031 118.550 0.481 25442 1951 1 4 . 1 1 102 102 VAL HA H 102 4.039 4.039 3.733 0.306 25442 1952 1 4 . 1 1 102 102 VAL CA C 102 62.675 62.675 62.599 0.076 25442 1953 1 4 . 1 1 102 102 VAL CB C 102 32.610 32.610 31.782 0.828 25442 1954 1 4 . 1 1 102 102 VAL H H 102 7.960 7.960 7.019 0.941 25442 1955 1 4 . 1 1 103 103 LYS N N 103 124.562 124.562 123.423 1.139 25442 1956 1 4 . 1 1 103 103 LYS HA H 103 4.258 4.258 3.896 0.362 25442 1957 1 4 . 1 1 103 103 LYS CA C 103 56.797 56.797 57.699 -0.902 25442 1958 1 4 . 1 1 103 103 LYS CB C 103 33.012 33.012 30.764 2.248 25442 1959 1 4 . 1 1 103 103 LYS H H 103 8.207 8.207 8.608 -0.401 25442 1960 1 4 . 1 1 104 104 GLU N N 104 121.722 121.722 116.771 4.951 25442 1961 1 4 . 1 1 104 104 GLU HA H 104 4.263 4.263 4.386 -0.123 25442 1962 1 4 . 1 1 104 104 GLU CA C 104 57.034 57.034 56.965 0.069 25442 1963 1 4 . 1 1 104 104 GLU CB C 104 30.351 30.351 30.422 -0.071 25442 1964 1 4 . 1 1 104 104 GLU H H 104 8.325 8.325 7.927 0.398 25442 1965 1 4 . 1 1 105 105 GLU N N 105 121.479 121.479 120.140 1.339 25442 1966 1 4 . 1 1 105 105 GLU HA H 105 4.264 4.264 4.149 0.115 25442 1967 1 4 . 1 1 105 105 GLU CA C 105 56.802 56.802 58.995 -2.193 25442 1968 1 4 . 1 1 105 105 GLU CB C 105 30.351 30.351 30.101 0.250 25442 1969 1 4 . 1 1 105 105 GLU H H 105 8.288 8.288 7.922 0.366 25442 1970 1 4 . 1 1 106 106 LEU N N 106 122.549 122.549 118.824 3.725 25442 1971 1 4 . 1 1 106 106 LEU HA H 106 4.316 4.316 4.209 0.107 25442 1972 1 4 . 1 1 106 106 LEU CA C 106 55.545 55.545 57.103 -1.558 25442 1973 1 4 . 1 1 106 106 LEU CB C 106 42.538 42.538 41.630 0.908 25442 1974 1 4 . 1 1 106 106 LEU H H 106 8.154 8.154 7.944 0.210 25442 1975 1 4 . 1 1 107 107 ASP N N 107 120.656 120.656 116.075 4.581 25442 1976 1 4 . 1 1 107 107 ASP HA H 107 4.587 4.587 4.749 -0.162 25442 1977 1 4 . 1 1 107 107 ASP CA C 107 54.715 54.715 54.286 0.429 25442 1978 1 4 . 1 1 107 107 ASP CB C 107 41.125 41.125 40.251 0.875 25442 1979 1 4 . 1 1 107 107 ASP H H 107 8.273 8.273 8.265 0.008 25442 1980 1 4 . 1 1 108 108 ARG N N 108 120.710 120.710 119.152 1.558 25442 1981 1 4 . 1 1 108 108 ARG HA H 108 4.272 4.272 4.103 0.169 25442 1982 1 4 . 1 1 108 108 ARG CA C 108 56.778 56.778 58.785 -2.007 25442 1983 1 4 . 1 1 108 108 ARG CB C 108 30.835 30.835 29.796 1.039 25442 1984 1 4 . 1 1 108 108 ARG H H 108 8.041 8.041 7.183 0.858 25442 1985 1 4 . 1 1 109 109 ASP N N 109 120.647 120.647 118.021 2.626 25442 1986 1 4 . 1 1 109 109 ASP CA C 109 54.862 54.862 53.569 1.292 25442 1987 1 4 . 1 1 109 109 ASP H H 109 8.331 8.331 8.049 0.282 25442 1988 1 4 . 1 1 110 110 ILE N N 110 120.220 120.220 120.942 -0.722 25442 1989 1 4 . 1 1 110 110 ILE HA H 110 4.140 4.140 3.817 0.323 25442 1990 1 4 . 1 1 110 110 ILE CA C 110 61.760 61.760 63.505 -1.745 25442 1991 1 4 . 1 1 110 110 ILE CB C 110 38.643 38.643 38.215 0.428 25442 1992 1 4 . 1 1 110 110 ILE H H 110 7.910 7.910 7.785 0.125 25442 1993 1 4 . 1 1 111 111 VAL N N 111 122.698 122.698 117.492 5.206 25442 1994 1 4 . 1 1 111 111 VAL HA H 111 4.095 4.095 3.622 0.473 25442 1995 1 4 . 1 1 111 111 VAL CA C 111 62.982 62.982 66.304 -3.322 25442 1996 1 4 . 1 1 111 111 VAL CB C 111 32.438 32.438 31.514 0.924 25442 1997 1 4 . 1 1 111 111 VAL H H 111 8.018 8.018 7.977 0.041 25442 1998 1 4 . 1 1 112 112 SER HA H 112 4.439 4.439 4.215 0.224 25442 1999 1 4 . 1 1 112 112 SER CA C 112 58.581 58.581 60.041 -1.460 25442 2000 1 4 . 1 1 112 112 SER CB C 112 63.717 63.717 63.450 0.267 25442 2001 1 4 . 1 1 114 114 ASN HA H 114 4.690 4.690 4.363 0.327 25442 2002 1 4 . 1 1 114 114 ASN CA C 114 53.462 53.462 54.408 -0.946 25442 2003 1 4 . 1 1 114 114 ASN CB C 114 39.073 39.073 37.978 1.095 25442 2004 1 4 . 1 1 115 115 ASN HA H 115 4.690 4.690 4.718 -0.028 25442 2005 1 4 . 1 1 115 115 ASN CA C 115 53.476 53.476 52.695 0.781 25442 2006 1 4 . 1 1 115 115 ASN CB C 115 39.073 39.073 39.707 -0.634 25442 2007 1 4 . 1 1 116 116 ALA N N 116 123.691 123.691 120.643 3.048 25442 2008 1 4 . 1 1 116 116 ALA HA H 116 4.355 4.355 4.071 0.284 25442 2009 1 4 . 1 1 116 116 ALA CA C 116 52.748 52.748 52.678 0.070 25442 2010 1 4 . 1 1 116 116 ALA CB C 116 19.559 19.559 18.574 0.985 25442 2011 1 4 . 1 1 116 116 ALA H H 116 8.144 8.144 7.569 0.575 25442 2012 1 4 . 1 1 117 117 GLU N N 117 120.174 120.174 121.095 -0.921 25442 2013 1 4 . 1 1 117 117 GLU HA H 117 4.284 4.284 3.985 0.299 25442 2014 1 4 . 1 1 117 117 GLU CA C 117 56.731 56.731 56.253 0.478 25442 2015 1 4 . 1 1 117 117 GLU CB C 117 29.944 29.944 29.836 0.108 25442 2016 1 4 . 1 1 117 117 GLU H H 117 8.234 8.234 8.453 -0.219 25442 2017 1 5 . 1 1 2 2 ALA HA H 2 4.335 4.335 4.362 -0.027 25442 2018 1 5 . 1 1 2 2 ALA CA C 2 53.634 53.634 52.313 1.321 25442 2019 1 5 . 1 1 2 2 ALA CB C 2 19.441 19.441 19.465 -0.024 25442 2020 1 5 . 1 1 3 3 MET N N 3 120.791 120.791 120.806 -0.015 25442 2021 1 5 . 1 1 3 3 MET HA H 3 4.499 4.499 4.559 -0.060 25442 2022 1 5 . 1 1 3 3 MET CA C 3 55.772 55.772 56.078 -0.306 25442 2023 1 5 . 1 1 3 3 MET CB C 3 32.968 32.968 33.594 -0.626 25442 2024 1 5 . 1 1 3 3 MET H H 3 8.636 8.636 8.281 0.355 25442 2025 1 5 . 1 1 4 4 GLY N N 4 109.879 109.879 110.517 -0.638 25442 2026 1 5 . 1 1 4 4 GLY CA C 4 45.531 45.531 45.321 0.210 25442 2027 1 5 . 1 1 4 4 GLY H H 4 8.391 8.391 8.380 0.011 25442 2028 1 5 . 1 1 5 5 ASN N N 5 124.309 124.309 117.897 6.412 25442 2029 1 5 . 1 1 5 5 ASN HA H 5 4.661 4.661 4.471 0.190 25442 2030 1 5 . 1 1 5 5 ASN CA C 5 53.419 53.419 53.574 -0.155 25442 2031 1 5 . 1 1 5 5 ASN CB C 5 39.059 39.059 37.708 1.351 25442 2032 1 5 . 1 1 5 5 ASN H H 5 7.954 7.954 8.726 -0.772 25442 2033 1 5 . 1 1 7 7 TYR N N 7 120.088 120.088 118.501 1.587 25442 2034 1 5 . 1 1 7 7 TYR HA H 7 4.463 4.463 4.682 -0.219 25442 2035 1 5 . 1 1 7 7 TYR CA C 7 58.098 58.098 57.001 1.097 25442 2036 1 5 . 1 1 7 7 TYR CB C 7 38.252 38.252 40.401 -2.149 25442 2037 1 5 . 1 1 7 7 TYR H H 7 8.013 8.013 7.876 0.137 25442 2038 1 5 . 1 1 8 8 LYS N N 8 121.766 121.766 120.665 1.101 25442 2039 1 5 . 1 1 8 8 LYS HA H 8 4.174 4.174 4.629 -0.455 25442 2040 1 5 . 1 1 8 8 LYS CA C 8 56.835 56.835 55.146 1.689 25442 2041 1 5 . 1 1 8 8 LYS CB C 8 32.997 32.997 34.786 -1.789 25442 2042 1 5 . 1 1 8 8 LYS H H 8 7.845 7.845 8.377 -0.532 25442 2043 1 5 . 1 1 9 9 ASP N N 9 119.739 119.739 123.001 -3.262 25442 2044 1 5 . 1 1 9 9 ASP HA H 9 4.477 4.477 4.929 -0.452 25442 2045 1 5 . 1 1 9 9 ASP CA C 9 54.660 54.660 53.330 1.330 25442 2046 1 5 . 1 1 9 9 ASP CB C 9 41.100 41.100 42.751 -1.651 25442 2047 1 5 . 1 1 9 9 ASP H H 9 8.043 8.043 8.384 -0.341 25442 2048 1 5 . 1 1 10 10 ASN N N 10 119.260 119.260 120.808 -1.548 25442 2049 1 5 . 1 1 10 10 ASN HA H 10 4.875 4.875 4.669 0.206 25442 2050 1 5 . 1 1 10 10 ASN CA C 10 53.255 53.255 52.857 0.398 25442 2051 1 5 . 1 1 10 10 ASN CB C 10 39.105 39.105 37.083 2.022 25442 2052 1 5 . 1 1 10 10 ASN H H 10 8.174 8.174 8.643 -0.469 25442 2053 1 5 . 1 1 11 11 ALA N N 11 122.869 122.869 123.864 -0.995 25442 2054 1 5 . 1 1 11 11 ALA HA H 11 4.544 4.544 4.590 -0.046 25442 2055 1 5 . 1 1 11 11 ALA CA C 11 52.866 52.866 51.756 1.110 25442 2056 1 5 . 1 1 11 11 ALA H H 11 8.299 8.299 7.956 0.343 25442 2057 1 5 . 1 1 12 12 TYR N N 12 117.351 117.351 119.232 -1.881 25442 2058 1 5 . 1 1 12 12 TYR HA H 12 5.220 5.220 5.791 -0.571 25442 2059 1 5 . 1 1 12 12 TYR CA C 12 57.621 57.621 56.287 1.334 25442 2060 1 5 . 1 1 12 12 TYR CB C 12 41.631 41.631 42.165 -0.534 25442 2061 1 5 . 1 1 12 12 TYR H H 12 8.340 8.340 8.487 -0.147 25442 2062 1 5 . 1 1 13 13 ILE N N 13 112.184 112.184 117.593 -5.409 25442 2063 1 5 . 1 1 13 13 ILE HA H 13 5.052 5.052 5.084 -0.032 25442 2064 1 5 . 1 1 13 13 ILE CA C 13 59.995 59.995 59.500 0.495 25442 2065 1 5 . 1 1 13 13 ILE CB C 13 40.418 40.418 41.603 -1.185 25442 2066 1 5 . 1 1 13 13 ILE H H 13 9.216 9.216 8.520 0.696 25442 2067 1 5 . 1 1 14 14 TYR N N 14 123.504 123.504 126.697 -3.193 25442 2068 1 5 . 1 1 14 14 TYR HA H 14 4.690 4.690 4.811 -0.121 25442 2069 1 5 . 1 1 14 14 TYR CA C 14 56.688 56.688 57.231 -0.543 25442 2070 1 5 . 1 1 14 14 TYR CB C 14 40.564 40.564 39.907 0.657 25442 2071 1 5 . 1 1 14 14 TYR H H 14 9.086 9.086 9.435 -0.349 25442 2072 1 5 . 1 1 15 15 ILE N N 15 127.611 127.611 129.239 -1.628 25442 2073 1 5 . 1 1 15 15 ILE HA H 15 4.288 4.288 4.903 -0.615 25442 2074 1 5 . 1 1 15 15 ILE CA C 15 59.654 59.654 59.805 -0.151 25442 2075 1 5 . 1 1 15 15 ILE CB C 15 40.260 40.260 38.378 1.882 25442 2076 1 5 . 1 1 15 15 ILE H H 15 8.448 8.448 7.677 0.771 25442 2077 1 5 . 1 1 16 16 GLY N N 16 112.660 112.660 112.036 0.624 25442 2078 1 5 . 1 1 16 16 GLY CA C 16 43.240 43.240 43.358 -0.118 25442 2079 1 5 . 1 1 16 16 GLY H H 16 9.438 9.438 8.177 1.261 25442 2080 1 5 . 1 1 17 17 ASN N N 17 114.980 114.980 114.641 0.339 25442 2081 1 5 . 1 1 17 17 ASN HA H 17 4.439 4.439 4.345 0.094 25442 2082 1 5 . 1 1 17 17 ASN CA C 17 53.251 53.251 53.828 -0.577 25442 2083 1 5 . 1 1 17 17 ASN CB C 17 38.259 38.259 37.004 1.255 25442 2084 1 5 . 1 1 17 17 ASN H H 17 8.497 8.497 8.410 0.087 25442 2085 1 5 . 1 1 18 18 LEU N N 18 115.182 115.182 120.379 -5.197 25442 2086 1 5 . 1 1 18 18 LEU HA H 18 4.068 4.068 4.385 -0.317 25442 2087 1 5 . 1 1 18 18 LEU CA C 18 54.073 54.073 54.565 -0.492 25442 2088 1 5 . 1 1 18 18 LEU CB C 18 42.912 42.912 43.580 -0.668 25442 2089 1 5 . 1 1 18 18 LEU H H 18 7.859 7.859 7.207 0.652 25442 2090 1 5 . 1 1 19 19 ASN N N 19 122.392 122.392 123.532 -1.140 25442 2091 1 5 . 1 1 19 19 ASN HA H 19 4.464 4.464 4.852 -0.388 25442 2092 1 5 . 1 1 19 19 ASN CA C 19 54.087 54.087 53.095 0.992 25442 2093 1 5 . 1 1 19 19 ASN CB C 19 38.703 38.703 40.043 -1.340 25442 2094 1 5 . 1 1 19 19 ASN H H 19 8.727 8.727 8.523 0.204 25442 2095 1 5 . 1 1 20 20 ARG N N 20 126.283 126.283 120.203 6.080 25442 2096 1 5 . 1 1 20 20 ARG HA H 20 3.937 3.937 4.163 -0.226 25442 2097 1 5 . 1 1 20 20 ARG CA C 20 58.719 58.719 57.854 0.865 25442 2098 1 5 . 1 1 20 20 ARG CB C 20 29.719 29.719 30.244 -0.525 25442 2099 1 5 . 1 1 20 20 ARG H H 20 8.940 8.940 8.540 0.400 25442 2100 1 5 . 1 1 21 21 GLU N N 21 117.166 117.166 118.542 -1.376 25442 2101 1 5 . 1 1 21 21 GLU HA H 21 4.321 4.321 4.175 0.146 25442 2102 1 5 . 1 1 21 21 GLU CA C 21 56.778 56.778 57.024 -0.246 25442 2103 1 5 . 1 1 21 21 GLU H H 21 8.867 8.867 8.432 0.434 25442 2104 1 5 . 1 1 22 22 LEU N N 22 119.643 119.643 123.484 -3.841 25442 2105 1 5 . 1 1 22 22 LEU HA H 22 4.540 4.540 4.185 0.355 25442 2106 1 5 . 1 1 22 22 LEU CA C 22 55.505 55.505 55.400 0.105 25442 2107 1 5 . 1 1 22 22 LEU CB C 22 42.251 42.251 40.736 1.516 25442 2108 1 5 . 1 1 22 22 LEU H H 22 7.324 7.324 7.661 -0.337 25442 2109 1 5 . 1 1 23 23 THR N N 23 114.564 114.564 117.285 -2.721 25442 2110 1 5 . 1 1 23 23 THR HA H 23 4.483 4.483 4.565 -0.082 25442 2111 1 5 . 1 1 23 23 THR CA C 23 60.155 60.155 59.725 0.430 25442 2112 1 5 . 1 1 23 23 THR CB C 23 73.000 73.000 71.019 1.981 25442 2113 1 5 . 1 1 23 23 THR H H 23 9.483 9.483 7.869 1.614 25442 2114 1 5 . 1 1 24 24 GLU N N 24 120.458 120.458 121.722 -1.264 25442 2115 1 5 . 1 1 24 24 GLU HA H 24 3.604 3.604 4.103 -0.499 25442 2116 1 5 . 1 1 24 24 GLU CA C 24 62.158 62.158 60.571 1.587 25442 2117 1 5 . 1 1 24 24 GLU H H 24 10.410 10.410 8.947 1.463 25442 2118 1 5 . 1 1 25 25 GLY N N 25 105.261 105.261 107.481 -2.220 25442 2119 1 5 . 1 1 25 25 GLY CA C 25 47.219 47.219 47.000 0.219 25442 2120 1 5 . 1 1 25 25 GLY H H 25 8.402 8.402 8.514 -0.112 25442 2121 1 5 . 1 1 26 26 ASP N N 26 122.820 122.820 123.112 -0.292 25442 2122 1 5 . 1 1 26 26 ASP HA H 26 4.515 4.515 4.432 0.083 25442 2123 1 5 . 1 1 26 26 ASP CA C 26 58.005 58.005 57.261 0.744 25442 2124 1 5 . 1 1 26 26 ASP CB C 26 41.261 41.261 40.492 0.769 25442 2125 1 5 . 1 1 26 26 ASP H H 26 7.539 7.539 7.599 -0.060 25442 2126 1 5 . 1 1 27 27 ILE N N 27 118.686 118.686 120.483 -1.797 25442 2127 1 5 . 1 1 27 27 ILE HA H 27 3.609 3.609 3.755 -0.146 25442 2128 1 5 . 1 1 27 27 ILE CA C 27 65.348 65.348 65.158 0.190 25442 2129 1 5 . 1 1 27 27 ILE CB C 27 37.789 37.789 37.997 -0.208 25442 2130 1 5 . 1 1 27 27 ILE H H 27 7.832 7.832 7.724 0.108 25442 2131 1 5 . 1 1 28 28 LEU N N 28 119.737 119.737 120.756 -1.019 25442 2132 1 5 . 1 1 28 28 LEU HA H 28 3.790 3.790 3.835 -0.045 25442 2133 1 5 . 1 1 28 28 LEU CA C 28 59.040 59.040 58.669 0.371 25442 2134 1 5 . 1 1 28 28 LEU CB C 28 42.520 42.520 41.563 0.957 25442 2135 1 5 . 1 1 28 28 LEU H H 28 8.731 8.731 8.421 0.310 25442 2136 1 5 . 1 1 29 29 THR N N 29 119.509 119.509 114.854 4.655 25442 2137 1 5 . 1 1 29 29 THR HA H 29 4.045 4.045 3.922 0.123 25442 2138 1 5 . 1 1 29 29 THR CA C 29 67.196 67.196 66.582 0.614 25442 2139 1 5 . 1 1 29 29 THR CB C 29 69.194 69.194 68.276 0.918 25442 2140 1 5 . 1 1 29 29 THR H H 29 8.251 8.251 7.946 0.305 25442 2141 1 5 . 1 1 30 30 VAL N N 30 117.974 117.974 120.503 -2.529 25442 2142 1 5 . 1 1 30 30 VAL HA H 30 3.869 3.869 3.606 0.263 25442 2143 1 5 . 1 1 30 30 VAL CA C 30 65.727 65.727 66.052 -0.325 25442 2144 1 5 . 1 1 30 30 VAL CB C 30 32.912 32.912 31.451 1.461 25442 2145 1 5 . 1 1 30 30 VAL H H 30 7.627 7.627 7.534 0.093 25442 2146 1 5 . 1 1 31 31 PHE N N 31 113.937 113.937 115.659 -1.722 25442 2147 1 5 . 1 1 31 31 PHE HA H 31 3.908 3.908 4.668 -0.760 25442 2148 1 5 . 1 1 31 31 PHE CA C 31 62.044 62.044 59.526 2.518 25442 2149 1 5 . 1 1 31 31 PHE CB C 31 37.217 37.217 39.159 -1.942 25442 2150 1 5 . 1 1 31 31 PHE H H 31 8.903 8.903 8.182 0.721 25442 2151 1 5 . 1 1 32 32 SER N N 32 118.854 118.854 116.339 2.515 25442 2152 1 5 . 1 1 32 32 SER HA H 32 5.405 5.405 3.924 1.481 25442 2153 1 5 . 1 1 32 32 SER CA C 32 61.282 61.282 61.696 -0.414 25442 2154 1 5 . 1 1 32 32 SER CB C 32 64.055 64.055 62.873 1.182 25442 2155 1 5 . 1 1 32 32 SER H H 32 8.024 8.024 8.347 -0.323 25442 2156 1 5 . 1 1 33 33 GLU N N 33 121.203 121.203 121.217 -0.014 25442 2157 1 5 . 1 1 33 33 GLU HA H 33 2.246 2.246 3.980 -1.734 25442 2158 1 5 . 1 1 33 33 GLU CA C 33 59.596 59.596 58.050 1.546 25442 2159 1 5 . 1 1 33 33 GLU H H 33 6.935 6.935 7.917 -0.982 25442 2160 1 5 . 1 1 34 34 TYR N N 34 108.039 108.039 117.721 -9.682 25442 2161 1 5 . 1 1 34 34 TYR HA H 34 4.953 4.953 4.571 0.382 25442 2162 1 5 . 1 1 34 34 TYR CA C 34 57.226 57.226 56.560 0.666 25442 2163 1 5 . 1 1 34 34 TYR CB C 34 38.821 38.821 37.063 1.758 25442 2164 1 5 . 1 1 34 34 TYR H H 34 6.254 6.254 7.184 -0.930 25442 2165 1 5 . 1 1 35 35 GLY N N 35 103.601 103.601 106.801 -3.200 25442 2166 1 5 . 1 1 35 35 GLY CA C 35 44.594 44.594 44.974 -0.380 25442 2167 1 5 . 1 1 35 35 GLY H H 35 7.247 7.247 7.312 -0.065 25442 2168 1 5 . 1 1 36 36 VAL N N 36 120.482 120.482 122.704 -2.222 25442 2169 1 5 . 1 1 36 36 VAL HA H 36 4.537 4.537 3.989 0.548 25442 2170 1 5 . 1 1 36 36 VAL CA C 36 59.942 59.942 61.347 -1.405 25442 2171 1 5 . 1 1 36 36 VAL CB C 36 33.989 33.989 32.916 1.073 25442 2172 1 5 . 1 1 36 36 VAL H H 36 8.549 8.549 7.740 0.809 25442 2173 1 5 . 1 1 37 37 PRO HA H 37 4.543 4.543 4.184 0.359 25442 2174 1 5 . 1 1 37 37 PRO CA C 37 62.043 62.043 62.400 -0.357 25442 2175 1 5 . 1 1 37 37 PRO CB C 37 31.531 31.531 31.964 -0.433 25442 2176 1 5 . 1 1 38 38 VAL N N 38 118.566 118.566 116.747 1.819 25442 2177 1 5 . 1 1 38 38 VAL HA H 38 4.439 4.439 4.220 0.219 25442 2178 1 5 . 1 1 38 38 VAL CA C 38 61.064 61.064 62.377 -1.313 25442 2179 1 5 . 1 1 38 38 VAL CB C 38 32.842 32.842 32.202 0.640 25442 2180 1 5 . 1 1 38 38 VAL H H 38 9.099 9.099 8.156 0.943 25442 2181 1 5 . 1 1 39 39 ASP N N 39 118.912 118.912 119.453 -0.541 25442 2182 1 5 . 1 1 39 39 ASP HA H 39 4.920 4.920 4.785 0.135 25442 2183 1 5 . 1 1 39 39 ASP CA C 39 54.860 54.860 54.133 0.727 25442 2184 1 5 . 1 1 39 39 ASP CB C 39 44.441 44.441 44.644 -0.202 25442 2185 1 5 . 1 1 39 39 ASP H H 39 7.300 7.300 7.678 -0.378 25442 2186 1 5 . 1 1 40 40 VAL N N 40 123.365 123.365 122.290 1.075 25442 2187 1 5 . 1 1 40 40 VAL HA H 40 4.759 4.759 4.308 0.451 25442 2188 1 5 . 1 1 40 40 VAL CA C 40 61.259 61.259 61.275 -0.016 25442 2189 1 5 . 1 1 40 40 VAL CB C 40 34.464 34.464 34.263 0.201 25442 2190 1 5 . 1 1 40 40 VAL H H 40 8.052 8.052 8.325 -0.273 25442 2191 1 5 . 1 1 41 41 ILE N N 41 127.951 127.951 128.763 -0.812 25442 2192 1 5 . 1 1 41 41 ILE HA H 41 4.361 4.361 4.386 -0.025 25442 2193 1 5 . 1 1 41 41 ILE CA C 41 60.204 60.204 60.442 -0.238 25442 2194 1 5 . 1 1 41 41 ILE CB C 41 41.220 41.220 39.440 1.780 25442 2195 1 5 . 1 1 41 41 ILE H H 41 9.031 9.031 8.715 0.316 25442 2196 1 5 . 1 1 42 42 LEU N N 42 130.034 130.034 129.529 0.505 25442 2197 1 5 . 1 1 42 42 LEU HA H 42 4.415 4.415 4.637 -0.222 25442 2198 1 5 . 1 1 42 42 LEU CA C 42 53.832 53.832 54.019 -0.187 25442 2199 1 5 . 1 1 42 42 LEU CB C 42 44.353 44.353 43.644 0.709 25442 2200 1 5 . 1 1 42 42 LEU H H 42 8.935 8.935 8.573 0.362 25442 2201 1 5 . 1 1 43 43 SER N N 43 121.977 121.977 121.647 0.330 25442 2202 1 5 . 1 1 43 43 SER HA H 43 4.092 4.092 4.379 -0.287 25442 2203 1 5 . 1 1 43 43 SER CA C 43 59.298 59.298 58.968 0.330 25442 2204 1 5 . 1 1 43 43 SER CB C 43 62.879 62.879 63.764 -0.885 25442 2205 1 5 . 1 1 43 43 SER H H 43 8.088 8.088 8.485 -0.397 25442 2206 1 5 . 1 1 44 44 ARG N N 44 125.852 125.852 125.847 0.005 25442 2207 1 5 . 1 1 44 44 ARG HA H 44 4.906 4.906 4.393 0.513 25442 2208 1 5 . 1 1 44 44 ARG CA C 44 54.363 54.363 55.330 -0.967 25442 2209 1 5 . 1 1 44 44 ARG CB C 44 34.095 34.095 32.587 1.508 25442 2210 1 5 . 1 1 44 44 ARG H H 44 8.081 8.081 8.310 -0.229 25442 2211 1 5 . 1 1 45 45 ASP N N 45 123.150 123.150 125.762 -2.612 25442 2212 1 5 . 1 1 45 45 ASP HA H 45 4.425 4.425 4.551 -0.126 25442 2213 1 5 . 1 1 45 45 ASP CA C 45 54.728 54.728 54.663 0.066 25442 2214 1 5 . 1 1 45 45 ASP CB C 45 43.318 43.318 41.163 2.155 25442 2215 1 5 . 1 1 45 45 ASP H H 45 8.594 8.594 8.580 0.014 25442 2216 1 5 . 1 1 46 46 GLU N N 46 127.786 127.786 124.530 3.256 25442 2217 1 5 . 1 1 46 46 GLU HA H 46 4.048 4.048 4.178 -0.130 25442 2218 1 5 . 1 1 46 46 GLU CA C 46 59.018 59.018 58.262 0.756 25442 2219 1 5 . 1 1 46 46 GLU CB C 46 29.870 29.870 30.029 -0.159 25442 2220 1 5 . 1 1 46 46 GLU H H 46 9.250 9.250 8.956 0.294 25442 2221 1 5 . 1 1 47 47 ASN N N 47 116.105 116.105 116.428 -0.323 25442 2222 1 5 . 1 1 47 47 ASN HA H 47 4.825 4.825 4.836 -0.011 25442 2223 1 5 . 1 1 47 47 ASN CA C 47 55.321 55.321 54.079 1.242 25442 2224 1 5 . 1 1 47 47 ASN CB C 47 39.927 39.927 38.985 0.942 25442 2225 1 5 . 1 1 47 47 ASN H H 47 8.857 8.857 8.369 0.488 25442 2226 1 5 . 1 1 48 48 THR N N 48 108.395 108.395 113.239 -4.844 25442 2227 1 5 . 1 1 48 48 THR HA H 48 4.461 4.461 4.414 0.047 25442 2228 1 5 . 1 1 48 48 THR CA C 48 61.883 61.883 61.823 0.060 25442 2229 1 5 . 1 1 48 48 THR CB C 48 71.194 71.194 70.085 1.109 25442 2230 1 5 . 1 1 48 48 THR H H 48 8.539 8.539 7.908 0.631 25442 2231 1 5 . 1 1 49 49 GLY N N 49 110.910 110.910 110.243 0.667 25442 2232 1 5 . 1 1 49 49 GLY CA C 49 45.706 45.706 44.650 1.056 25442 2233 1 5 . 1 1 49 49 GLY H H 49 8.293 8.293 7.841 0.452 25442 2234 1 5 . 1 1 50 50 GLU N N 50 120.328 120.328 122.841 -2.513 25442 2235 1 5 . 1 1 50 50 GLU HA H 50 4.162 4.162 4.574 -0.412 25442 2236 1 5 . 1 1 50 50 GLU CA C 50 56.540 56.540 55.846 0.694 25442 2237 1 5 . 1 1 50 50 GLU CB C 50 30.948 30.948 30.036 0.912 25442 2238 1 5 . 1 1 50 50 GLU H H 50 7.854 7.854 8.591 -0.737 25442 2239 1 5 . 1 1 51 51 SER N N 51 117.235 117.235 117.617 -0.382 25442 2240 1 5 . 1 1 51 51 SER HA H 51 4.391 4.391 4.231 0.160 25442 2241 1 5 . 1 1 51 51 SER CA C 51 58.361 58.361 58.969 -0.608 25442 2242 1 5 . 1 1 51 51 SER CB C 51 64.438 64.438 63.216 1.222 25442 2243 1 5 . 1 1 51 51 SER H H 51 8.950 8.950 8.586 0.364 25442 2244 1 5 . 1 1 52 52 GLN N N 52 122.996 122.996 121.611 1.385 25442 2245 1 5 . 1 1 52 52 GLN HA H 52 4.516 4.516 4.445 0.071 25442 2246 1 5 . 1 1 52 52 GLN CA C 52 55.406 55.406 57.404 -1.998 25442 2247 1 5 . 1 1 52 52 GLN CB C 52 29.624 29.624 29.337 0.287 25442 2248 1 5 . 1 1 52 52 GLN H H 52 8.929 8.929 8.227 0.702 25442 2249 1 5 . 1 1 53 53 GLY N N 53 106.139 106.139 109.510 -3.371 25442 2250 1 5 . 1 1 53 53 GLY CA C 53 46.434 46.434 44.660 1.774 25442 2251 1 5 . 1 1 53 53 GLY H H 53 8.876 8.876 8.790 0.086 25442 2252 1 5 . 1 1 54 54 PHE N N 54 112.294 112.294 114.271 -1.977 25442 2253 1 5 . 1 1 54 54 PHE HA H 54 5.436 5.436 5.554 -0.118 25442 2254 1 5 . 1 1 54 54 PHE CA C 54 55.464 55.464 54.464 1.000 25442 2255 1 5 . 1 1 54 54 PHE CB C 54 41.207 41.207 41.605 -0.397 25442 2256 1 5 . 1 1 54 54 PHE H H 54 6.938 6.938 7.100 -0.162 25442 2257 1 5 . 1 1 55 55 ALA N N 55 121.935 121.935 120.484 1.451 25442 2258 1 5 . 1 1 55 55 ALA HA H 55 5.051 5.051 4.384 0.667 25442 2259 1 5 . 1 1 55 55 ALA CA C 55 49.517 49.517 51.779 -2.263 25442 2260 1 5 . 1 1 55 55 ALA CB C 55 24.966 24.966 22.014 2.952 25442 2261 1 5 . 1 1 55 55 ALA H H 55 9.098 9.098 7.954 1.144 25442 2262 1 5 . 1 1 56 56 TYR N N 56 114.799 114.799 119.358 -4.559 25442 2263 1 5 . 1 1 56 56 TYR HA H 56 5.652 5.652 5.009 0.643 25442 2264 1 5 . 1 1 56 56 TYR CA C 56 56.128 56.128 57.290 -1.162 25442 2265 1 5 . 1 1 56 56 TYR CB C 56 42.405 42.405 40.853 1.552 25442 2266 1 5 . 1 1 56 56 TYR H H 56 8.572 8.572 8.439 0.133 25442 2267 1 5 . 1 1 57 57 LEU N N 57 123.129 123.129 123.996 -0.867 25442 2268 1 5 . 1 1 57 57 LEU HA H 57 5.100 5.100 4.653 0.447 25442 2269 1 5 . 1 1 57 57 LEU CA C 57 54.552 54.552 53.915 0.637 25442 2270 1 5 . 1 1 57 57 LEU H H 57 8.600 8.600 8.372 0.228 25442 2271 1 5 . 1 1 58 58 LYS N N 58 126.556 126.556 126.246 0.310 25442 2272 1 5 . 1 1 58 58 LYS HA H 58 4.553 4.553 3.918 0.635 25442 2273 1 5 . 1 1 58 58 LYS CA C 58 54.518 54.518 55.345 -0.827 25442 2274 1 5 . 1 1 58 58 LYS CB C 58 36.254 36.254 33.228 3.026 25442 2275 1 5 . 1 1 58 58 LYS H H 58 8.389 8.389 7.919 0.470 25442 2276 1 5 . 1 1 59 59 TYR N N 59 126.761 126.761 126.940 -0.179 25442 2277 1 5 . 1 1 59 59 TYR HA H 59 5.061 5.061 4.506 0.555 25442 2278 1 5 . 1 1 59 59 TYR CA C 59 58.271 58.271 57.713 0.558 25442 2279 1 5 . 1 1 59 59 TYR H H 59 9.035 9.035 8.825 0.210 25442 2280 1 5 . 1 1 60 60 GLU N N 60 120.097 120.097 123.910 -3.813 25442 2281 1 5 . 1 1 60 60 GLU HA H 60 3.890 3.890 4.105 -0.215 25442 2282 1 5 . 1 1 60 60 GLU CA C 60 59.244 59.244 58.495 0.749 25442 2283 1 5 . 1 1 60 60 GLU CB C 60 31.145 31.145 30.439 0.706 25442 2284 1 5 . 1 1 60 60 GLU H H 60 8.796 8.796 8.942 -0.146 25442 2285 1 5 . 1 1 61 61 ASP N N 61 117.697 117.697 116.962 0.735 25442 2286 1 5 . 1 1 61 61 ASP HA H 61 4.842 4.842 4.957 -0.115 25442 2287 1 5 . 1 1 61 61 ASP CA C 61 51.550 51.550 52.912 -1.362 25442 2288 1 5 . 1 1 61 61 ASP CB C 61 43.258 43.258 43.343 -0.085 25442 2289 1 5 . 1 1 61 61 ASP H H 61 8.006 8.006 7.986 0.020 25442 2290 1 5 . 1 1 62 62 GLN N N 62 126.321 126.321 123.308 3.013 25442 2291 1 5 . 1 1 62 62 GLN HA H 62 4.223 4.223 3.873 0.350 25442 2292 1 5 . 1 1 62 62 GLN CA C 62 58.637 58.637 59.446 -0.809 25442 2293 1 5 . 1 1 62 62 GLN CB C 62 27.994 27.994 28.919 -0.925 25442 2294 1 5 . 1 1 62 62 GLN H H 62 9.053 9.053 8.727 0.326 25442 2295 1 5 . 1 1 63 63 ARG N N 63 121.086 121.086 118.356 2.730 25442 2296 1 5 . 1 1 63 63 ARG HA H 63 3.654 3.654 3.987 -0.333 25442 2297 1 5 . 1 1 63 63 ARG CA C 63 58.971 58.971 59.257 -0.286 25442 2298 1 5 . 1 1 63 63 ARG H H 63 8.960 8.960 8.515 0.445 25442 2299 1 5 . 1 1 64 64 SER N N 64 114.891 114.891 113.318 1.573 25442 2300 1 5 . 1 1 64 64 SER HA H 64 3.704 3.704 4.157 -0.453 25442 2301 1 5 . 1 1 64 64 SER CA C 64 63.589 63.589 61.073 2.516 25442 2302 1 5 . 1 1 64 64 SER H H 64 8.143 8.143 7.846 0.297 25442 2303 1 5 . 1 1 65 65 THR N N 65 111.019 111.019 115.546 -4.527 25442 2304 1 5 . 1 1 65 65 THR HA H 65 3.765 3.765 3.881 -0.116 25442 2305 1 5 . 1 1 65 65 THR CA C 65 66.198 66.198 64.967 1.231 25442 2306 1 5 . 1 1 65 65 THR CB C 65 68.461 68.461 68.099 0.362 25442 2307 1 5 . 1 1 65 65 THR H H 65 7.633 7.633 7.255 0.378 25442 2308 1 5 . 1 1 66 66 ILE N N 66 123.242 123.242 121.382 1.860 25442 2309 1 5 . 1 1 66 66 ILE HA H 66 3.673 3.673 3.746 -0.073 25442 2310 1 5 . 1 1 66 66 ILE CA C 66 64.506 64.506 65.089 -0.583 25442 2311 1 5 . 1 1 66 66 ILE CB C 66 38.668 38.668 37.569 1.099 25442 2312 1 5 . 1 1 66 66 ILE H H 66 6.648 6.648 7.444 -0.796 25442 2313 1 5 . 1 1 67 67 LEU N N 67 113.375 113.375 119.994 -6.619 25442 2314 1 5 . 1 1 67 67 LEU HA H 67 3.627 3.627 3.836 -0.209 25442 2315 1 5 . 1 1 67 67 LEU CA C 67 57.678 57.678 57.930 -0.252 25442 2316 1 5 . 1 1 67 67 LEU CB C 67 41.866 41.866 41.596 0.271 25442 2317 1 5 . 1 1 67 67 LEU H H 67 6.899 6.899 7.449 -0.550 25442 2318 1 5 . 1 1 68 68 ALA N N 68 120.327 120.327 120.843 -0.516 25442 2319 1 5 . 1 1 68 68 ALA HA H 68 3.406 3.406 3.710 -0.304 25442 2320 1 5 . 1 1 68 68 ALA CA C 68 55.643 55.643 54.935 0.708 25442 2321 1 5 . 1 1 68 68 ALA CB C 68 19.395 19.395 18.383 1.012 25442 2322 1 5 . 1 1 68 68 ALA H H 68 8.201 8.201 7.553 0.648 25442 2323 1 5 . 1 1 69 69 VAL N N 69 118.977 118.977 119.901 -0.924 25442 2324 1 5 . 1 1 69 69 VAL HA H 69 3.221 3.221 3.576 -0.355 25442 2325 1 5 . 1 1 69 69 VAL CA C 69 67.039 67.039 67.194 -0.155 25442 2326 1 5 . 1 1 69 69 VAL CB C 69 31.896 31.896 31.355 0.541 25442 2327 1 5 . 1 1 69 69 VAL H H 69 8.235 8.235 8.433 -0.198 25442 2328 1 5 . 1 1 70 70 ASP N N 70 116.894 116.894 119.151 -2.257 25442 2329 1 5 . 1 1 70 70 ASP HA H 70 3.941 3.941 4.397 -0.456 25442 2330 1 5 . 1 1 70 70 ASP CA C 70 57.576 57.576 56.758 0.818 25442 2331 1 5 . 1 1 70 70 ASP CB C 70 39.037 39.037 40.022 -0.985 25442 2332 1 5 . 1 1 70 70 ASP H H 70 8.152 8.152 7.896 0.256 25442 2333 1 5 . 1 1 71 71 ASN N N 71 110.936 110.936 116.400 -5.464 25442 2334 1 5 . 1 1 71 71 ASN HA H 71 5.009 5.009 4.454 0.555 25442 2335 1 5 . 1 1 71 71 ASN CA C 71 55.710 55.710 54.915 0.795 25442 2336 1 5 . 1 1 71 71 ASN CB C 71 42.091 42.091 39.054 3.037 25442 2337 1 5 . 1 1 71 71 ASN H H 71 7.562 7.562 7.548 0.014 25442 2338 1 5 . 1 1 72 72 LEU N N 72 116.460 116.460 118.319 -1.859 25442 2339 1 5 . 1 1 72 72 LEU HA H 72 4.686 4.686 4.393 0.293 25442 2340 1 5 . 1 1 72 72 LEU CA C 72 54.411 54.411 55.023 -0.612 25442 2341 1 5 . 1 1 72 72 LEU CB C 72 42.477 42.477 41.937 0.540 25442 2342 1 5 . 1 1 72 72 LEU H H 72 8.406 8.406 8.396 0.010 25442 2343 1 5 . 1 1 73 73 ASN N N 73 118.618 118.618 119.260 -0.642 25442 2344 1 5 . 1 1 73 73 ASN HA H 73 4.419 4.419 4.512 -0.093 25442 2345 1 5 . 1 1 73 73 ASN CA C 73 56.716 56.716 55.470 1.246 25442 2346 1 5 . 1 1 73 73 ASN CB C 73 39.452 39.452 38.619 0.833 25442 2347 1 5 . 1 1 73 73 ASN H H 73 6.956 6.956 8.326 -1.370 25442 2348 1 5 . 1 1 74 74 GLY N N 74 116.095 116.095 113.685 2.410 25442 2349 1 5 . 1 1 74 74 GLY CA C 74 45.912 45.912 45.328 0.584 25442 2350 1 5 . 1 1 74 74 GLY H H 74 9.379 9.379 8.814 0.565 25442 2351 1 5 . 1 1 75 75 PHE N N 75 123.354 123.354 122.485 0.869 25442 2352 1 5 . 1 1 75 75 PHE HA H 75 4.311 4.311 4.448 -0.137 25442 2353 1 5 . 1 1 75 75 PHE CA C 75 58.979 58.979 57.882 1.097 25442 2354 1 5 . 1 1 75 75 PHE CB C 75 41.709 41.709 40.506 1.203 25442 2355 1 5 . 1 1 75 75 PHE H H 75 8.211 8.211 8.041 0.170 25442 2356 1 5 . 1 1 76 76 LYS N N 76 127.267 127.267 127.760 -0.493 25442 2357 1 5 . 1 1 76 76 LYS HA H 76 4.598 4.598 4.467 0.131 25442 2358 1 5 . 1 1 76 76 LYS CA C 76 56.529 56.529 55.588 0.941 25442 2359 1 5 . 1 1 76 76 LYS CB C 76 33.073 33.073 32.759 0.314 25442 2360 1 5 . 1 1 76 76 LYS H H 76 7.648 7.648 7.869 -0.221 25442 2361 1 5 . 1 1 77 77 ILE N N 77 121.576 121.576 126.819 -5.243 25442 2362 1 5 . 1 1 77 77 ILE HA H 77 4.406 4.406 4.463 -0.057 25442 2363 1 5 . 1 1 77 77 ILE CA C 77 60.214 60.214 60.279 -0.065 25442 2364 1 5 . 1 1 77 77 ILE CB C 77 40.048 40.048 40.846 -0.798 25442 2365 1 5 . 1 1 77 77 ILE H H 77 8.100 8.100 8.084 0.016 25442 2366 1 5 . 1 1 78 78 GLY CA C 78 47.118 47.118 45.786 1.332 25442 2367 1 5 . 1 1 79 79 GLY CA C 79 45.171 45.171 46.016 -0.844 25442 2368 1 5 . 1 1 80 80 ARG N N 80 119.377 119.377 120.721 -1.344 25442 2369 1 5 . 1 1 80 80 ARG HA H 80 4.650 4.650 4.517 0.133 25442 2370 1 5 . 1 1 80 80 ARG CA C 80 54.849 54.849 54.537 0.312 25442 2371 1 5 . 1 1 80 80 ARG CB C 80 33.411 33.411 32.111 1.300 25442 2372 1 5 . 1 1 80 80 ARG H H 80 7.379 7.379 7.927 -0.548 25442 2373 1 5 . 1 1 81 81 ALA N N 81 126.782 126.782 124.705 2.077 25442 2374 1 5 . 1 1 81 81 ALA HA H 81 4.137 4.137 4.592 -0.455 25442 2375 1 5 . 1 1 81 81 ALA CA C 81 51.454 51.454 51.545 -0.091 25442 2376 1 5 . 1 1 81 81 ALA CB C 81 19.131 19.131 18.610 0.521 25442 2377 1 5 . 1 1 81 81 ALA H H 81 8.734 8.734 8.474 0.260 25442 2378 1 5 . 1 1 82 82 LEU N N 82 125.769 125.769 121.698 4.071 25442 2379 1 5 . 1 1 82 82 LEU HA H 82 4.390 4.390 4.445 -0.055 25442 2380 1 5 . 1 1 82 82 LEU CA C 82 56.196 56.196 55.134 1.062 25442 2381 1 5 . 1 1 82 82 LEU CB C 82 43.362 43.362 42.434 0.928 25442 2382 1 5 . 1 1 82 82 LEU H H 82 8.736 8.736 8.314 0.422 25442 2383 1 5 . 1 1 83 83 LYS N N 83 123.851 123.851 123.105 0.746 25442 2384 1 5 . 1 1 83 83 LYS HA H 83 5.005 5.005 4.618 0.387 25442 2385 1 5 . 1 1 83 83 LYS CA C 83 54.790 54.790 55.119 -0.329 25442 2386 1 5 . 1 1 83 83 LYS CB C 83 34.212 34.212 34.481 -0.269 25442 2387 1 5 . 1 1 83 83 LYS H H 83 7.838 7.838 7.968 -0.130 25442 2388 1 5 . 1 1 84 84 ILE N N 84 125.629 125.629 126.151 -0.522 25442 2389 1 5 . 1 1 84 84 ILE HA H 84 5.576 5.576 4.679 0.897 25442 2390 1 5 . 1 1 84 84 ILE CA C 84 58.513 58.513 59.053 -0.540 25442 2391 1 5 . 1 1 84 84 ILE CB C 84 40.310 40.310 37.514 2.796 25442 2392 1 5 . 1 1 84 84 ILE H H 84 8.727 8.727 8.596 0.131 25442 2393 1 5 . 1 1 85 85 ASP N N 85 124.427 124.427 127.899 -3.472 25442 2394 1 5 . 1 1 85 85 ASP HA H 85 5.094 5.094 4.975 0.119 25442 2395 1 5 . 1 1 85 85 ASP CA C 85 52.697 52.697 52.786 -0.090 25442 2396 1 5 . 1 1 85 85 ASP CB C 85 45.574 45.574 44.398 1.176 25442 2397 1 5 . 1 1 85 85 ASP H H 85 8.960 8.960 8.563 0.397 25442 2398 1 5 . 1 1 86 86 HIS N N 86 121.356 121.356 121.856 -0.500 25442 2399 1 5 . 1 1 86 86 HIS HA H 86 4.635 4.635 4.791 -0.156 25442 2400 1 5 . 1 1 86 86 HIS CA C 86 58.158 58.158 56.753 1.405 25442 2401 1 5 . 1 1 86 86 HIS CB C 86 31.368 31.368 31.465 -0.097 25442 2402 1 5 . 1 1 86 86 HIS H H 86 8.783 8.783 8.684 0.099 25442 2403 1 5 . 1 1 87 87 THR N N 87 114.331 114.331 116.443 -2.112 25442 2404 1 5 . 1 1 87 87 THR HA H 87 4.691 4.691 4.609 0.082 25442 2405 1 5 . 1 1 87 87 THR CA C 87 60.890 60.890 60.845 0.045 25442 2406 1 5 . 1 1 87 87 THR CB C 87 70.215 70.215 70.271 -0.056 25442 2407 1 5 . 1 1 87 87 THR H H 87 8.032 8.032 8.637 -0.605 25442 2408 1 5 . 1 1 88 88 PHE N N 88 118.673 118.673 122.732 -4.059 25442 2409 1 5 . 1 1 88 88 PHE HA H 88 4.305 4.305 4.813 -0.508 25442 2410 1 5 . 1 1 88 88 PHE CA C 88 58.926 58.926 55.807 3.119 25442 2411 1 5 . 1 1 88 88 PHE CB C 88 39.673 39.673 38.151 1.522 25442 2412 1 5 . 1 1 88 88 PHE H H 88 8.233 8.233 8.225 0.008 25442 2413 1 5 . 1 1 89 89 TYR N N 89 124.182 124.182 123.566 0.616 25442 2414 1 5 . 1 1 89 89 TYR HA H 89 4.193 4.193 3.848 0.345 25442 2415 1 5 . 1 1 89 89 TYR CA C 89 58.510 58.510 58.258 0.252 25442 2416 1 5 . 1 1 89 89 TYR CB C 89 39.993 39.993 39.025 0.968 25442 2417 1 5 . 1 1 89 89 TYR H H 89 8.246 8.246 7.218 1.028 25442 2418 1 5 . 1 1 90 90 ARG N N 90 125.111 125.111 127.384 -2.273 25442 2419 1 5 . 1 1 90 90 ARG HA H 90 4.219 4.219 4.001 0.218 25442 2420 1 5 . 1 1 90 90 ARG CA C 90 52.511 52.511 53.569 -1.058 25442 2421 1 5 . 1 1 90 90 ARG CB C 90 31.298 31.298 29.536 1.762 25442 2422 1 5 . 1 1 90 90 ARG H H 90 7.223 7.223 7.917 -0.694 25442 2423 1 5 . 1 1 91 91 PRO HA H 91 4.028 4.028 4.145 -0.117 25442 2424 1 5 . 1 1 91 91 PRO CA C 91 62.759 62.759 62.214 0.545 25442 2425 1 5 . 1 1 91 91 PRO CB C 91 32.074 32.074 32.400 -0.326 25442 2426 1 5 . 1 1 94 94 SER HA H 94 4.466 4.466 4.104 0.362 25442 2427 1 5 . 1 1 94 94 SER CA C 94 58.273 58.273 60.028 -1.755 25442 2428 1 5 . 1 1 94 94 SER CB C 94 63.656 63.656 62.660 0.996 25442 2429 1 5 . 1 1 95 95 LEU HA H 95 4.369 4.369 4.673 -0.304 25442 2430 1 5 . 1 1 95 95 LEU CA C 95 55.482 55.482 55.238 0.244 25442 2431 1 5 . 1 1 95 95 LEU CB C 95 42.350 42.350 42.209 0.141 25442 2432 1 5 . 1 1 97 97 LYS HA H 97 4.197 4.197 4.181 0.016 25442 2433 1 5 . 1 1 97 97 LYS CA C 97 56.923 56.923 58.516 -1.593 25442 2434 1 5 . 1 1 97 97 LYS CB C 97 32.936 32.936 31.854 1.082 25442 2435 1 5 . 1 1 98 98 TYR N N 98 120.486 120.486 120.720 -0.234 25442 2436 1 5 . 1 1 98 98 TYR HA H 98 4.477 4.477 4.156 0.321 25442 2437 1 5 . 1 1 98 98 TYR CA C 98 58.249 58.249 61.122 -2.873 25442 2438 1 5 . 1 1 98 98 TYR CB C 98 38.659 38.659 38.075 0.584 25442 2439 1 5 . 1 1 98 98 TYR H H 98 7.979 7.979 8.066 -0.087 25442 2440 1 5 . 1 1 99 99 TYR N N 99 120.784 120.784 119.223 1.561 25442 2441 1 5 . 1 1 99 99 TYR HA H 99 4.455 4.455 3.868 0.587 25442 2442 1 5 . 1 1 99 99 TYR CA C 99 58.281 58.281 62.258 -3.977 25442 2443 1 5 . 1 1 99 99 TYR CB C 99 38.902 38.902 38.308 0.594 25442 2444 1 5 . 1 1 99 99 TYR H H 99 7.918 7.918 7.892 0.026 25442 2445 1 5 . 1 1 100 100 GLU N N 100 122.033 122.033 118.129 3.904 25442 2446 1 5 . 1 1 100 100 GLU HA H 100 4.171 4.171 3.854 0.317 25442 2447 1 5 . 1 1 100 100 GLU CA C 100 56.766 56.766 58.804 -2.038 25442 2448 1 5 . 1 1 100 100 GLU H H 100 8.055 8.055 7.953 0.102 25442 2449 1 5 . 1 1 101 101 ALA N N 101 124.629 124.629 123.236 1.393 25442 2450 1 5 . 1 1 101 101 ALA HA H 101 4.283 4.283 4.053 0.230 25442 2451 1 5 . 1 1 101 101 ALA CA C 101 52.795 52.795 54.846 -2.051 25442 2452 1 5 . 1 1 101 101 ALA CB C 101 19.150 19.150 18.604 0.546 25442 2453 1 5 . 1 1 101 101 ALA H H 101 8.040 8.040 7.478 0.562 25442 2454 1 5 . 1 1 102 102 VAL N N 102 119.031 119.031 117.986 1.045 25442 2455 1 5 . 1 1 102 102 VAL HA H 102 4.039 4.039 3.674 0.365 25442 2456 1 5 . 1 1 102 102 VAL CA C 102 62.675 62.675 64.359 -1.684 25442 2457 1 5 . 1 1 102 102 VAL CB C 102 32.610 32.610 31.382 1.228 25442 2458 1 5 . 1 1 102 102 VAL H H 102 7.960 7.960 7.558 0.402 25442 2459 1 5 . 1 1 103 103 LYS N N 103 124.562 124.562 119.007 5.555 25442 2460 1 5 . 1 1 103 103 LYS HA H 103 4.258 4.258 3.889 0.369 25442 2461 1 5 . 1 1 103 103 LYS CA C 103 56.797 56.797 58.109 -1.312 25442 2462 1 5 . 1 1 103 103 LYS CB C 103 33.012 33.012 32.809 0.203 25442 2463 1 5 . 1 1 103 103 LYS H H 103 8.207 8.207 7.227 0.980 25442 2464 1 5 . 1 1 104 104 GLU N N 104 121.722 121.722 117.532 4.190 25442 2465 1 5 . 1 1 104 104 GLU HA H 104 4.263 4.263 4.441 -0.178 25442 2466 1 5 . 1 1 104 104 GLU CA C 104 57.034 57.034 55.652 1.382 25442 2467 1 5 . 1 1 104 104 GLU CB C 104 30.351 30.351 31.262 -0.910 25442 2468 1 5 . 1 1 104 104 GLU H H 104 8.325 8.325 7.870 0.455 25442 2469 1 5 . 1 1 105 105 GLU N N 105 121.479 121.479 125.666 -4.187 25442 2470 1 5 . 1 1 105 105 GLU HA H 105 4.264 4.264 4.425 -0.161 25442 2471 1 5 . 1 1 105 105 GLU CA C 105 56.802 56.802 56.605 0.197 25442 2472 1 5 . 1 1 105 105 GLU CB C 105 30.351 30.351 29.340 1.011 25442 2473 1 5 . 1 1 105 105 GLU H H 105 8.288 8.288 8.516 -0.228 25442 2474 1 5 . 1 1 106 106 LEU N N 106 122.549 122.549 115.671 6.878 25442 2475 1 5 . 1 1 106 106 LEU HA H 106 4.316 4.316 4.225 0.091 25442 2476 1 5 . 1 1 106 106 LEU CA C 106 55.545 55.545 56.280 -0.735 25442 2477 1 5 . 1 1 106 106 LEU CB C 106 42.538 42.538 41.453 1.085 25442 2478 1 5 . 1 1 106 106 LEU H H 106 8.154 8.154 8.154 0.000 25442 2479 1 5 . 1 1 107 107 ASP N N 107 120.656 120.656 118.510 2.146 25442 2480 1 5 . 1 1 107 107 ASP HA H 107 4.587 4.587 4.366 0.221 25442 2481 1 5 . 1 1 107 107 ASP CA C 107 54.715 54.715 55.850 -1.135 25442 2482 1 5 . 1 1 107 107 ASP CB C 107 41.125 41.125 40.504 0.621 25442 2483 1 5 . 1 1 107 107 ASP H H 107 8.273 8.273 8.041 0.232 25442 2484 1 5 . 1 1 108 108 ARG N N 108 120.710 120.710 120.902 -0.192 25442 2485 1 5 . 1 1 108 108 ARG HA H 108 4.272 4.272 4.134 0.138 25442 2486 1 5 . 1 1 108 108 ARG CA C 108 56.778 56.778 57.232 -0.454 25442 2487 1 5 . 1 1 108 108 ARG CB C 108 30.835 30.835 30.465 0.370 25442 2488 1 5 . 1 1 108 108 ARG H H 108 8.041 8.041 7.714 0.327 25442 2489 1 5 . 1 1 109 109 ASP N N 109 120.647 120.647 123.775 -3.128 25442 2490 1 5 . 1 1 109 109 ASP CA C 109 54.862 54.862 55.174 -0.312 25442 2491 1 5 . 1 1 109 109 ASP H H 109 8.331 8.331 8.855 -0.524 25442 2492 1 5 . 1 1 110 110 ILE N N 110 120.220 120.220 112.186 8.034 25442 2493 1 5 . 1 1 110 110 ILE HA H 110 4.140 4.140 3.796 0.344 25442 2494 1 5 . 1 1 110 110 ILE CA C 110 61.760 61.760 62.806 -1.046 25442 2495 1 5 . 1 1 110 110 ILE CB C 110 38.643 38.643 37.982 0.661 25442 2496 1 5 . 1 1 110 110 ILE H H 110 7.910 7.910 8.050 -0.140 25442 2497 1 5 . 1 1 111 111 VAL N N 111 122.698 122.698 122.143 0.555 25442 2498 1 5 . 1 1 111 111 VAL HA H 111 4.095 4.095 3.950 0.145 25442 2499 1 5 . 1 1 111 111 VAL CA C 111 62.982 62.982 62.321 0.661 25442 2500 1 5 . 1 1 111 111 VAL CB C 111 32.438 32.438 31.833 0.605 25442 2501 1 5 . 1 1 111 111 VAL H H 111 8.018 8.018 7.577 0.441 25442 2502 1 5 . 1 1 112 112 SER HA H 112 4.439 4.439 4.640 -0.201 25442 2503 1 5 . 1 1 112 112 SER CA C 112 58.581 58.581 57.335 1.246 25442 2504 1 5 . 1 1 112 112 SER CB C 112 63.717 63.717 64.363 -0.646 25442 2505 1 5 . 1 1 114 114 ASN HA H 114 4.690 4.690 4.342 0.348 25442 2506 1 5 . 1 1 114 114 ASN CA C 114 53.462 53.462 54.045 -0.583 25442 2507 1 5 . 1 1 114 114 ASN CB C 114 39.073 39.073 37.235 1.838 25442 2508 1 5 . 1 1 115 115 ASN HA H 115 4.690 4.690 4.205 0.485 25442 2509 1 5 . 1 1 115 115 ASN CA C 115 53.476 53.476 54.540 -1.064 25442 2510 1 5 . 1 1 115 115 ASN CB C 115 39.073 39.073 37.556 1.517 25442 2511 1 5 . 1 1 116 116 ALA N N 116 123.691 123.691 118.445 5.246 25442 2512 1 5 . 1 1 116 116 ALA HA H 116 4.355 4.355 3.907 0.448 25442 2513 1 5 . 1 1 116 116 ALA CA C 116 52.748 52.748 53.304 -0.556 25442 2514 1 5 . 1 1 116 116 ALA CB C 116 19.559 19.559 17.233 2.326 25442 2515 1 5 . 1 1 116 116 ALA H H 116 8.144 8.144 7.859 0.285 25442 2516 1 5 . 1 1 117 117 GLU N N 117 120.174 120.174 113.077 7.097 25442 2517 1 5 . 1 1 117 117 GLU HA H 117 4.284 4.284 3.928 0.356 25442 2518 1 5 . 1 1 117 117 GLU CA C 117 56.731 56.731 57.842 -1.111 25442 2519 1 5 . 1 1 117 117 GLU CB C 117 29.944 29.944 27.440 2.504 25442 2520 1 5 . 1 1 117 117 GLU H H 117 8.234 8.234 8.193 0.041 25442 2521 1 6 . 1 1 2 2 ALA HA H 2 4.335 4.335 4.709 -0.374 25442 2522 1 6 . 1 1 2 2 ALA CA C 2 53.634 53.634 51.650 1.984 25442 2523 1 6 . 1 1 2 2 ALA CB C 2 19.441 19.441 19.953 -0.512 25442 2524 1 6 . 1 1 3 3 MET N N 3 120.791 120.791 121.060 -0.269 25442 2525 1 6 . 1 1 3 3 MET HA H 3 4.499 4.499 4.507 -0.008 25442 2526 1 6 . 1 1 3 3 MET CA C 3 55.772 55.772 55.114 0.658 25442 2527 1 6 . 1 1 3 3 MET CB C 3 32.968 32.968 32.770 0.197 25442 2528 1 6 . 1 1 3 3 MET H H 3 8.636 8.636 8.731 -0.095 25442 2529 1 6 . 1 1 4 4 GLY N N 4 109.879 109.879 109.044 0.835 25442 2530 1 6 . 1 1 4 4 GLY CA C 4 45.531 45.531 44.190 1.341 25442 2531 1 6 . 1 1 4 4 GLY H H 4 8.391 8.391 7.865 0.526 25442 2532 1 6 . 1 1 5 5 ASN N N 5 124.309 124.309 116.702 7.607 25442 2533 1 6 . 1 1 5 5 ASN HA H 5 4.661 4.661 4.766 -0.105 25442 2534 1 6 . 1 1 5 5 ASN CA C 5 53.419 53.419 52.136 1.283 25442 2535 1 6 . 1 1 5 5 ASN CB C 5 39.059 39.059 38.577 0.482 25442 2536 1 6 . 1 1 5 5 ASN H H 5 7.954 7.954 8.215 -0.261 25442 2537 1 6 . 1 1 7 7 TYR N N 7 120.088 120.088 111.821 8.267 25442 2538 1 6 . 1 1 7 7 TYR HA H 7 4.463 4.463 4.057 0.406 25442 2539 1 6 . 1 1 7 7 TYR CA C 7 58.098 58.098 59.523 -1.425 25442 2540 1 6 . 1 1 7 7 TYR CB C 7 38.252 38.252 35.448 2.804 25442 2541 1 6 . 1 1 7 7 TYR H H 7 8.013 8.013 7.717 0.296 25442 2542 1 6 . 1 1 8 8 LYS N N 8 121.766 121.766 120.055 1.711 25442 2543 1 6 . 1 1 8 8 LYS HA H 8 4.174 4.174 4.299 -0.125 25442 2544 1 6 . 1 1 8 8 LYS CA C 8 56.835 56.835 56.851 -0.016 25442 2545 1 6 . 1 1 8 8 LYS CB C 8 32.997 32.997 31.396 1.601 25442 2546 1 6 . 1 1 8 8 LYS H H 8 7.845 7.845 7.660 0.185 25442 2547 1 6 . 1 1 9 9 ASP N N 9 119.739 119.739 121.286 -1.547 25442 2548 1 6 . 1 1 9 9 ASP HA H 9 4.477 4.477 4.814 -0.337 25442 2549 1 6 . 1 1 9 9 ASP CA C 9 54.660 54.660 53.669 0.991 25442 2550 1 6 . 1 1 9 9 ASP CB C 9 41.100 41.100 44.316 -3.216 25442 2551 1 6 . 1 1 9 9 ASP H H 9 8.043 8.043 8.141 -0.098 25442 2552 1 6 . 1 1 10 10 ASN N N 10 119.260 119.260 122.779 -3.519 25442 2553 1 6 . 1 1 10 10 ASN HA H 10 4.875 4.875 4.748 0.127 25442 2554 1 6 . 1 1 10 10 ASN CA C 10 53.255 53.255 52.863 0.392 25442 2555 1 6 . 1 1 10 10 ASN CB C 10 39.105 39.105 36.906 2.199 25442 2556 1 6 . 1 1 10 10 ASN H H 10 8.174 8.174 8.675 -0.501 25442 2557 1 6 . 1 1 11 11 ALA N N 11 122.869 122.869 124.945 -2.076 25442 2558 1 6 . 1 1 11 11 ALA HA H 11 4.544 4.544 4.417 0.127 25442 2559 1 6 . 1 1 11 11 ALA CA C 11 52.866 52.866 51.572 1.294 25442 2560 1 6 . 1 1 11 11 ALA H H 11 8.299 8.299 7.724 0.575 25442 2561 1 6 . 1 1 12 12 TYR N N 12 117.351 117.351 121.552 -4.201 25442 2562 1 6 . 1 1 12 12 TYR HA H 12 5.220 5.220 5.234 -0.014 25442 2563 1 6 . 1 1 12 12 TYR CA C 12 57.621 57.621 57.399 0.222 25442 2564 1 6 . 1 1 12 12 TYR CB C 12 41.631 41.631 42.877 -1.246 25442 2565 1 6 . 1 1 12 12 TYR H H 12 8.340 8.340 8.158 0.182 25442 2566 1 6 . 1 1 13 13 ILE N N 13 112.184 112.184 120.590 -8.406 25442 2567 1 6 . 1 1 13 13 ILE HA H 13 5.052 5.052 4.592 0.460 25442 2568 1 6 . 1 1 13 13 ILE CA C 13 59.995 59.995 60.515 -0.520 25442 2569 1 6 . 1 1 13 13 ILE CB C 13 40.418 40.418 39.972 0.446 25442 2570 1 6 . 1 1 13 13 ILE H H 13 9.216 9.216 8.488 0.728 25442 2571 1 6 . 1 1 14 14 TYR N N 14 123.504 123.504 129.269 -5.765 25442 2572 1 6 . 1 1 14 14 TYR HA H 14 4.690 4.690 4.812 -0.122 25442 2573 1 6 . 1 1 14 14 TYR CA C 14 56.688 56.688 58.926 -2.238 25442 2574 1 6 . 1 1 14 14 TYR CB C 14 40.564 40.564 39.311 1.253 25442 2575 1 6 . 1 1 14 14 TYR H H 14 9.086 9.086 9.285 -0.199 25442 2576 1 6 . 1 1 15 15 ILE N N 15 127.611 127.611 128.778 -1.167 25442 2577 1 6 . 1 1 15 15 ILE HA H 15 4.288 4.288 4.847 -0.559 25442 2578 1 6 . 1 1 15 15 ILE CA C 15 59.654 59.654 60.232 -0.578 25442 2579 1 6 . 1 1 15 15 ILE CB C 15 40.260 40.260 39.123 1.137 25442 2580 1 6 . 1 1 15 15 ILE H H 15 8.448 8.448 7.809 0.639 25442 2581 1 6 . 1 1 16 16 GLY N N 16 112.660 112.660 112.410 0.250 25442 2582 1 6 . 1 1 16 16 GLY CA C 16 43.240 43.240 43.443 -0.203 25442 2583 1 6 . 1 1 16 16 GLY H H 16 9.438 9.438 8.261 1.177 25442 2584 1 6 . 1 1 17 17 ASN N N 17 114.980 114.980 116.779 -1.799 25442 2585 1 6 . 1 1 17 17 ASN HA H 17 4.439 4.439 4.388 0.051 25442 2586 1 6 . 1 1 17 17 ASN CA C 17 53.251 53.251 54.130 -0.879 25442 2587 1 6 . 1 1 17 17 ASN CB C 17 38.259 38.259 37.863 0.396 25442 2588 1 6 . 1 1 17 17 ASN H H 17 8.497 8.497 8.695 -0.198 25442 2589 1 6 . 1 1 18 18 LEU N N 18 115.182 115.182 114.479 0.703 25442 2590 1 6 . 1 1 18 18 LEU HA H 18 4.068 4.068 4.707 -0.639 25442 2591 1 6 . 1 1 18 18 LEU CA C 18 54.073 54.073 53.992 0.082 25442 2592 1 6 . 1 1 18 18 LEU CB C 18 42.912 42.912 43.663 -0.751 25442 2593 1 6 . 1 1 18 18 LEU H H 18 7.859 7.859 7.614 0.245 25442 2594 1 6 . 1 1 19 19 ASN N N 19 122.392 122.392 118.348 4.044 25442 2595 1 6 . 1 1 19 19 ASN HA H 19 4.464 4.464 4.853 -0.389 25442 2596 1 6 . 1 1 19 19 ASN CA C 19 54.087 54.087 52.636 1.451 25442 2597 1 6 . 1 1 19 19 ASN CB C 19 38.703 38.703 39.726 -1.023 25442 2598 1 6 . 1 1 19 19 ASN H H 19 8.727 8.727 8.634 0.093 25442 2599 1 6 . 1 1 20 20 ARG N N 20 126.283 126.283 125.388 0.895 25442 2600 1 6 . 1 1 20 20 ARG HA H 20 3.937 3.937 4.016 -0.079 25442 2601 1 6 . 1 1 20 20 ARG CA C 20 58.719 58.719 58.568 0.151 25442 2602 1 6 . 1 1 20 20 ARG CB C 20 29.719 29.719 29.851 -0.132 25442 2603 1 6 . 1 1 20 20 ARG H H 20 8.940 8.940 8.720 0.220 25442 2604 1 6 . 1 1 21 21 GLU N N 21 117.166 117.166 118.765 -1.599 25442 2605 1 6 . 1 1 21 21 GLU HA H 21 4.321 4.321 4.137 0.184 25442 2606 1 6 . 1 1 21 21 GLU CA C 21 56.778 56.778 57.436 -0.658 25442 2607 1 6 . 1 1 21 21 GLU H H 21 8.867 8.867 8.113 0.754 25442 2608 1 6 . 1 1 22 22 LEU N N 22 119.643 119.643 120.658 -1.015 25442 2609 1 6 . 1 1 22 22 LEU HA H 22 4.540 4.540 4.410 0.130 25442 2610 1 6 . 1 1 22 22 LEU CA C 22 55.505 55.505 55.451 0.054 25442 2611 1 6 . 1 1 22 22 LEU CB C 22 42.251 42.251 41.973 0.278 25442 2612 1 6 . 1 1 22 22 LEU H H 22 7.324 7.324 7.426 -0.102 25442 2613 1 6 . 1 1 23 23 THR N N 23 114.564 114.564 116.240 -1.676 25442 2614 1 6 . 1 1 23 23 THR HA H 23 4.483 4.483 4.560 -0.077 25442 2615 1 6 . 1 1 23 23 THR CA C 23 60.155 60.155 59.700 0.454 25442 2616 1 6 . 1 1 23 23 THR CB C 23 73.000 73.000 70.982 2.018 25442 2617 1 6 . 1 1 23 23 THR H H 23 9.483 9.483 8.348 1.135 25442 2618 1 6 . 1 1 24 24 GLU N N 24 120.458 120.458 120.071 0.387 25442 2619 1 6 . 1 1 24 24 GLU HA H 24 3.604 3.604 3.960 -0.356 25442 2620 1 6 . 1 1 24 24 GLU CA C 24 62.158 62.158 60.174 1.984 25442 2621 1 6 . 1 1 24 24 GLU H H 24 10.410 10.410 8.819 1.591 25442 2622 1 6 . 1 1 25 25 GLY N N 25 105.261 105.261 107.401 -2.140 25442 2623 1 6 . 1 1 25 25 GLY CA C 25 47.219 47.219 46.844 0.375 25442 2624 1 6 . 1 1 25 25 GLY H H 25 8.402 8.402 8.258 0.144 25442 2625 1 6 . 1 1 26 26 ASP N N 26 122.820 122.820 123.125 -0.305 25442 2626 1 6 . 1 1 26 26 ASP HA H 26 4.515 4.515 4.443 0.072 25442 2627 1 6 . 1 1 26 26 ASP CA C 26 58.005 58.005 57.292 0.713 25442 2628 1 6 . 1 1 26 26 ASP CB C 26 41.261 41.261 40.505 0.756 25442 2629 1 6 . 1 1 26 26 ASP H H 26 7.539 7.539 7.519 0.020 25442 2630 1 6 . 1 1 27 27 ILE N N 27 118.686 118.686 120.462 -1.776 25442 2631 1 6 . 1 1 27 27 ILE HA H 27 3.609 3.609 3.816 -0.207 25442 2632 1 6 . 1 1 27 27 ILE CA C 27 65.348 65.348 65.347 0.001 25442 2633 1 6 . 1 1 27 27 ILE CB C 27 37.789 37.789 37.986 -0.197 25442 2634 1 6 . 1 1 27 27 ILE H H 27 7.832 7.832 7.786 0.046 25442 2635 1 6 . 1 1 28 28 LEU N N 28 119.737 119.737 120.704 -0.967 25442 2636 1 6 . 1 1 28 28 LEU HA H 28 3.790 3.790 3.912 -0.122 25442 2637 1 6 . 1 1 28 28 LEU CA C 28 59.040 59.040 58.467 0.573 25442 2638 1 6 . 1 1 28 28 LEU CB C 28 42.520 42.520 41.632 0.888 25442 2639 1 6 . 1 1 28 28 LEU H H 28 8.731 8.731 8.128 0.603 25442 2640 1 6 . 1 1 29 29 THR N N 29 119.509 119.509 115.837 3.672 25442 2641 1 6 . 1 1 29 29 THR HA H 29 4.045 4.045 3.906 0.139 25442 2642 1 6 . 1 1 29 29 THR CA C 29 67.196 67.196 67.185 0.011 25442 2643 1 6 . 1 1 29 29 THR CB C 29 69.194 69.194 68.802 0.392 25442 2644 1 6 . 1 1 29 29 THR H H 29 8.251 8.251 8.303 -0.052 25442 2645 1 6 . 1 1 30 30 VAL N N 30 117.974 117.974 122.052 -4.078 25442 2646 1 6 . 1 1 30 30 VAL HA H 30 3.869 3.869 3.689 0.180 25442 2647 1 6 . 1 1 30 30 VAL CA C 30 65.727 65.727 66.618 -0.891 25442 2648 1 6 . 1 1 30 30 VAL CB C 30 32.912 32.912 31.996 0.916 25442 2649 1 6 . 1 1 30 30 VAL H H 30 7.627 7.627 8.156 -0.529 25442 2650 1 6 . 1 1 31 31 PHE N N 31 113.937 113.937 117.470 -3.533 25442 2651 1 6 . 1 1 31 31 PHE HA H 31 3.908 3.908 4.635 -0.727 25442 2652 1 6 . 1 1 31 31 PHE CA C 31 62.044 62.044 59.961 2.083 25442 2653 1 6 . 1 1 31 31 PHE CB C 31 37.217 37.217 39.049 -1.832 25442 2654 1 6 . 1 1 31 31 PHE H H 31 8.903 8.903 8.467 0.436 25442 2655 1 6 . 1 1 32 32 SER N N 32 118.854 118.854 116.245 2.609 25442 2656 1 6 . 1 1 32 32 SER HA H 32 5.405 5.405 3.952 1.453 25442 2657 1 6 . 1 1 32 32 SER CA C 32 61.282 61.282 62.435 -1.153 25442 2658 1 6 . 1 1 32 32 SER CB C 32 64.055 64.055 62.722 1.333 25442 2659 1 6 . 1 1 32 32 SER H H 32 8.024 8.024 8.479 -0.455 25442 2660 1 6 . 1 1 33 33 GLU N N 33 121.203 121.203 121.752 -0.549 25442 2661 1 6 . 1 1 33 33 GLU HA H 33 2.246 2.246 3.978 -1.732 25442 2662 1 6 . 1 1 33 33 GLU CA C 33 59.596 59.596 58.227 1.369 25442 2663 1 6 . 1 1 33 33 GLU H H 33 6.935 6.935 8.219 -1.284 25442 2664 1 6 . 1 1 34 34 TYR N N 34 108.039 108.039 119.759 -11.720 25442 2665 1 6 . 1 1 34 34 TYR HA H 34 4.953 4.953 4.486 0.467 25442 2666 1 6 . 1 1 34 34 TYR CA C 34 57.226 57.226 57.247 -0.021 25442 2667 1 6 . 1 1 34 34 TYR CB C 34 38.821 38.821 36.378 2.443 25442 2668 1 6 . 1 1 34 34 TYR H H 34 6.254 6.254 7.346 -1.092 25442 2669 1 6 . 1 1 35 35 GLY N N 35 103.601 103.601 106.780 -3.179 25442 2670 1 6 . 1 1 35 35 GLY CA C 35 44.594 44.594 44.736 -0.142 25442 2671 1 6 . 1 1 35 35 GLY H H 35 7.247 7.247 7.499 -0.252 25442 2672 1 6 . 1 1 36 36 VAL N N 36 120.482 120.482 122.823 -2.341 25442 2673 1 6 . 1 1 36 36 VAL HA H 36 4.537 4.537 4.201 0.336 25442 2674 1 6 . 1 1 36 36 VAL CA C 36 59.942 59.942 61.294 -1.352 25442 2675 1 6 . 1 1 36 36 VAL CB C 36 33.989 33.989 33.001 0.988 25442 2676 1 6 . 1 1 36 36 VAL H H 36 8.549 8.549 7.699 0.850 25442 2677 1 6 . 1 1 37 37 PRO HA H 37 4.543 4.543 4.550 -0.007 25442 2678 1 6 . 1 1 37 37 PRO CA C 37 62.043 62.043 62.772 -0.729 25442 2679 1 6 . 1 1 37 37 PRO CB C 37 31.531 31.531 32.343 -0.812 25442 2680 1 6 . 1 1 38 38 VAL N N 38 118.566 118.566 116.520 2.046 25442 2681 1 6 . 1 1 38 38 VAL HA H 38 4.439 4.439 4.300 0.139 25442 2682 1 6 . 1 1 38 38 VAL CA C 38 61.064 61.064 61.978 -0.914 25442 2683 1 6 . 1 1 38 38 VAL CB C 38 32.842 32.842 32.260 0.582 25442 2684 1 6 . 1 1 38 38 VAL H H 38 9.099 9.099 8.141 0.958 25442 2685 1 6 . 1 1 39 39 ASP N N 39 118.912 118.912 120.582 -1.670 25442 2686 1 6 . 1 1 39 39 ASP HA H 39 4.920 4.920 4.842 0.078 25442 2687 1 6 . 1 1 39 39 ASP CA C 39 54.860 54.860 54.211 0.649 25442 2688 1 6 . 1 1 39 39 ASP CB C 39 44.441 44.441 45.135 -0.694 25442 2689 1 6 . 1 1 39 39 ASP H H 39 7.300 7.300 7.538 -0.238 25442 2690 1 6 . 1 1 40 40 VAL N N 40 123.365 123.365 123.149 0.216 25442 2691 1 6 . 1 1 40 40 VAL HA H 40 4.759 4.759 4.332 0.427 25442 2692 1 6 . 1 1 40 40 VAL CA C 40 61.259 61.259 61.612 -0.353 25442 2693 1 6 . 1 1 40 40 VAL CB C 40 34.464 34.464 34.198 0.266 25442 2694 1 6 . 1 1 40 40 VAL H H 40 8.052 8.052 8.439 -0.387 25442 2695 1 6 . 1 1 41 41 ILE N N 41 127.951 127.951 128.734 -0.783 25442 2696 1 6 . 1 1 41 41 ILE HA H 41 4.361 4.361 4.335 0.026 25442 2697 1 6 . 1 1 41 41 ILE CA C 41 60.204 60.204 60.534 -0.330 25442 2698 1 6 . 1 1 41 41 ILE CB C 41 41.220 41.220 39.227 1.993 25442 2699 1 6 . 1 1 41 41 ILE H H 41 9.031 9.031 9.286 -0.255 25442 2700 1 6 . 1 1 42 42 LEU N N 42 130.034 130.034 129.048 0.986 25442 2701 1 6 . 1 1 42 42 LEU HA H 42 4.415 4.415 4.470 -0.055 25442 2702 1 6 . 1 1 42 42 LEU CA C 42 53.832 53.832 53.774 0.058 25442 2703 1 6 . 1 1 42 42 LEU CB C 42 44.353 44.353 44.444 -0.091 25442 2704 1 6 . 1 1 42 42 LEU H H 42 8.935 8.935 8.554 0.381 25442 2705 1 6 . 1 1 43 43 SER N N 43 121.977 121.977 120.338 1.639 25442 2706 1 6 . 1 1 43 43 SER HA H 43 4.092 4.092 4.475 -0.383 25442 2707 1 6 . 1 1 43 43 SER CA C 43 59.298 59.298 59.732 -0.434 25442 2708 1 6 . 1 1 43 43 SER CB C 43 62.879 62.879 63.463 -0.584 25442 2709 1 6 . 1 1 43 43 SER H H 43 8.088 8.088 8.456 -0.368 25442 2710 1 6 . 1 1 44 44 ARG N N 44 125.852 125.852 121.600 4.252 25442 2711 1 6 . 1 1 44 44 ARG HA H 44 4.906 4.906 4.465 0.441 25442 2712 1 6 . 1 1 44 44 ARG CA C 44 54.363 54.363 54.267 0.096 25442 2713 1 6 . 1 1 44 44 ARG CB C 44 34.095 34.095 32.558 1.537 25442 2714 1 6 . 1 1 44 44 ARG H H 44 8.081 8.081 8.000 0.081 25442 2715 1 6 . 1 1 45 45 ASP N N 45 123.150 123.150 120.883 2.267 25442 2716 1 6 . 1 1 45 45 ASP HA H 45 4.425 4.425 4.395 0.030 25442 2717 1 6 . 1 1 45 45 ASP CA C 45 54.728 54.728 55.014 -0.286 25442 2718 1 6 . 1 1 45 45 ASP CB C 45 43.318 43.318 41.320 1.998 25442 2719 1 6 . 1 1 45 45 ASP H H 45 8.594 8.594 8.401 0.193 25442 2720 1 6 . 1 1 46 46 GLU N N 46 127.786 127.786 120.187 7.599 25442 2721 1 6 . 1 1 46 46 GLU HA H 46 4.048 4.048 3.987 0.061 25442 2722 1 6 . 1 1 46 46 GLU CA C 46 59.018 59.018 58.935 0.083 25442 2723 1 6 . 1 1 46 46 GLU CB C 46 29.870 29.870 29.392 0.478 25442 2724 1 6 . 1 1 46 46 GLU H H 46 9.250 9.250 8.786 0.464 25442 2725 1 6 . 1 1 47 47 ASN N N 47 116.105 116.105 116.505 -0.400 25442 2726 1 6 . 1 1 47 47 ASN HA H 47 4.825 4.825 4.525 0.300 25442 2727 1 6 . 1 1 47 47 ASN CA C 47 55.321 55.321 55.357 -0.036 25442 2728 1 6 . 1 1 47 47 ASN CB C 47 39.927 39.927 38.139 1.788 25442 2729 1 6 . 1 1 47 47 ASN H H 47 8.857 8.857 8.051 0.806 25442 2730 1 6 . 1 1 48 48 THR N N 48 108.395 108.395 111.401 -3.006 25442 2731 1 6 . 1 1 48 48 THR HA H 48 4.461 4.461 4.477 -0.016 25442 2732 1 6 . 1 1 48 48 THR CA C 48 61.883 61.883 62.313 -0.430 25442 2733 1 6 . 1 1 48 48 THR CB C 48 71.194 71.194 70.453 0.741 25442 2734 1 6 . 1 1 48 48 THR H H 48 8.539 8.539 7.661 0.878 25442 2735 1 6 . 1 1 49 49 GLY N N 49 110.910 110.910 108.662 2.248 25442 2736 1 6 . 1 1 49 49 GLY CA C 49 45.706 45.706 44.980 0.726 25442 2737 1 6 . 1 1 49 49 GLY H H 49 8.293 8.293 7.617 0.676 25442 2738 1 6 . 1 1 50 50 GLU N N 50 120.328 120.328 117.471 2.857 25442 2739 1 6 . 1 1 50 50 GLU HA H 50 4.162 4.162 4.065 0.097 25442 2740 1 6 . 1 1 50 50 GLU CA C 50 56.540 56.540 56.725 -0.185 25442 2741 1 6 . 1 1 50 50 GLU CB C 50 30.948 30.948 28.867 2.081 25442 2742 1 6 . 1 1 50 50 GLU H H 50 7.854 7.854 8.521 -0.667 25442 2743 1 6 . 1 1 51 51 SER N N 51 117.235 117.235 117.278 -0.043 25442 2744 1 6 . 1 1 51 51 SER HA H 51 4.391 4.391 4.316 0.075 25442 2745 1 6 . 1 1 51 51 SER CA C 51 58.361 58.361 58.830 -0.469 25442 2746 1 6 . 1 1 51 51 SER CB C 51 64.438 64.438 64.186 0.252 25442 2747 1 6 . 1 1 51 51 SER H H 51 8.950 8.950 8.550 0.400 25442 2748 1 6 . 1 1 52 52 GLN N N 52 122.996 122.996 120.872 2.124 25442 2749 1 6 . 1 1 52 52 GLN HA H 52 4.516 4.516 3.778 0.738 25442 2750 1 6 . 1 1 52 52 GLN CA C 52 55.406 55.406 56.332 -0.926 25442 2751 1 6 . 1 1 52 52 GLN CB C 52 29.624 29.624 29.240 0.384 25442 2752 1 6 . 1 1 52 52 GLN H H 52 8.929 8.929 8.093 0.836 25442 2753 1 6 . 1 1 53 53 GLY N N 53 106.139 106.139 105.209 0.930 25442 2754 1 6 . 1 1 53 53 GLY CA C 53 46.434 46.434 44.663 1.771 25442 2755 1 6 . 1 1 53 53 GLY H H 53 8.876 8.876 8.612 0.264 25442 2756 1 6 . 1 1 54 54 PHE N N 54 112.294 112.294 114.356 -2.062 25442 2757 1 6 . 1 1 54 54 PHE HA H 54 5.436 5.436 5.492 -0.056 25442 2758 1 6 . 1 1 54 54 PHE CA C 54 55.464 55.464 54.703 0.761 25442 2759 1 6 . 1 1 54 54 PHE CB C 54 41.207 41.207 40.757 0.450 25442 2760 1 6 . 1 1 54 54 PHE H H 54 6.938 6.938 6.550 0.388 25442 2761 1 6 . 1 1 55 55 ALA N N 55 121.935 121.935 119.939 1.996 25442 2762 1 6 . 1 1 55 55 ALA HA H 55 5.051 5.051 4.403 0.648 25442 2763 1 6 . 1 1 55 55 ALA CA C 55 49.517 49.517 51.106 -1.589 25442 2764 1 6 . 1 1 55 55 ALA CB C 55 24.966 24.966 22.351 2.615 25442 2765 1 6 . 1 1 55 55 ALA H H 55 9.098 9.098 8.004 1.094 25442 2766 1 6 . 1 1 56 56 TYR N N 56 114.799 114.799 117.038 -2.239 25442 2767 1 6 . 1 1 56 56 TYR HA H 56 5.652 5.652 5.426 0.226 25442 2768 1 6 . 1 1 56 56 TYR CA C 56 56.128 56.128 55.553 0.575 25442 2769 1 6 . 1 1 56 56 TYR CB C 56 42.405 42.405 41.473 0.932 25442 2770 1 6 . 1 1 56 56 TYR H H 56 8.572 8.572 8.496 0.076 25442 2771 1 6 . 1 1 57 57 LEU N N 57 123.129 123.129 117.827 5.302 25442 2772 1 6 . 1 1 57 57 LEU HA H 57 5.100 5.100 5.264 -0.164 25442 2773 1 6 . 1 1 57 57 LEU CA C 57 54.552 54.552 53.564 0.988 25442 2774 1 6 . 1 1 57 57 LEU H H 57 8.600 8.600 8.685 -0.085 25442 2775 1 6 . 1 1 58 58 LYS N N 58 126.556 126.556 122.065 4.491 25442 2776 1 6 . 1 1 58 58 LYS HA H 58 4.553 4.553 4.268 0.285 25442 2777 1 6 . 1 1 58 58 LYS CA C 58 54.518 54.518 54.215 0.303 25442 2778 1 6 . 1 1 58 58 LYS CB C 58 36.254 36.254 34.442 1.812 25442 2779 1 6 . 1 1 58 58 LYS H H 58 8.389 8.389 8.225 0.164 25442 2780 1 6 . 1 1 59 59 TYR N N 59 126.761 126.761 120.937 5.824 25442 2781 1 6 . 1 1 59 59 TYR HA H 59 5.061 5.061 4.775 0.286 25442 2782 1 6 . 1 1 59 59 TYR CA C 59 58.271 58.271 55.611 2.660 25442 2783 1 6 . 1 1 59 59 TYR H H 59 9.035 9.035 7.702 1.333 25442 2784 1 6 . 1 1 60 60 GLU N N 60 120.097 120.097 120.907 -0.810 25442 2785 1 6 . 1 1 60 60 GLU HA H 60 3.890 3.890 4.113 -0.223 25442 2786 1 6 . 1 1 60 60 GLU CA C 60 59.244 59.244 57.756 1.488 25442 2787 1 6 . 1 1 60 60 GLU CB C 60 31.145 31.145 30.113 1.032 25442 2788 1 6 . 1 1 60 60 GLU H H 60 8.796 8.796 8.902 -0.106 25442 2789 1 6 . 1 1 61 61 ASP N N 61 117.697 117.697 117.544 0.153 25442 2790 1 6 . 1 1 61 61 ASP HA H 61 4.842 4.842 5.035 -0.193 25442 2791 1 6 . 1 1 61 61 ASP CA C 61 51.550 51.550 53.264 -1.714 25442 2792 1 6 . 1 1 61 61 ASP CB C 61 43.258 43.258 42.579 0.679 25442 2793 1 6 . 1 1 61 61 ASP H H 61 8.006 8.006 8.212 -0.206 25442 2794 1 6 . 1 1 62 62 GLN N N 62 126.321 126.321 121.418 4.903 25442 2795 1 6 . 1 1 62 62 GLN HA H 62 4.223 4.223 3.701 0.522 25442 2796 1 6 . 1 1 62 62 GLN CA C 62 58.637 58.637 59.142 -0.505 25442 2797 1 6 . 1 1 62 62 GLN CB C 62 27.994 27.994 28.942 -0.948 25442 2798 1 6 . 1 1 62 62 GLN H H 62 9.053 9.053 8.899 0.154 25442 2799 1 6 . 1 1 63 63 ARG N N 63 121.086 121.086 118.635 2.451 25442 2800 1 6 . 1 1 63 63 ARG HA H 63 3.654 3.654 3.993 -0.339 25442 2801 1 6 . 1 1 63 63 ARG CA C 63 58.971 58.971 58.990 -0.019 25442 2802 1 6 . 1 1 63 63 ARG H H 63 8.960 8.960 8.550 0.410 25442 2803 1 6 . 1 1 64 64 SER N N 64 114.891 114.891 114.371 0.520 25442 2804 1 6 . 1 1 64 64 SER HA H 64 3.704 3.704 4.205 -0.501 25442 2805 1 6 . 1 1 64 64 SER CA C 64 63.589 63.589 61.564 2.025 25442 2806 1 6 . 1 1 64 64 SER H H 64 8.143 8.143 7.724 0.419 25442 2807 1 6 . 1 1 65 65 THR N N 65 111.019 111.019 117.043 -6.024 25442 2808 1 6 . 1 1 65 65 THR HA H 65 3.765 3.765 4.008 -0.243 25442 2809 1 6 . 1 1 65 65 THR CA C 65 66.198 66.198 65.804 0.394 25442 2810 1 6 . 1 1 65 65 THR CB C 65 68.461 68.461 67.870 0.591 25442 2811 1 6 . 1 1 65 65 THR H H 65 7.633 7.633 7.469 0.164 25442 2812 1 6 . 1 1 66 66 ILE N N 66 123.242 123.242 122.402 0.840 25442 2813 1 6 . 1 1 66 66 ILE HA H 66 3.673 3.673 3.661 0.012 25442 2814 1 6 . 1 1 66 66 ILE CA C 66 64.506 64.506 65.266 -0.760 25442 2815 1 6 . 1 1 66 66 ILE CB C 66 38.668 38.668 37.476 1.192 25442 2816 1 6 . 1 1 66 66 ILE H H 66 6.648 6.648 7.206 -0.558 25442 2817 1 6 . 1 1 67 67 LEU N N 67 113.375 113.375 120.291 -6.916 25442 2818 1 6 . 1 1 67 67 LEU HA H 67 3.627 3.627 3.807 -0.180 25442 2819 1 6 . 1 1 67 67 LEU CA C 67 57.678 57.678 58.229 -0.551 25442 2820 1 6 . 1 1 67 67 LEU CB C 67 41.866 41.866 41.566 0.300 25442 2821 1 6 . 1 1 67 67 LEU H H 67 6.899 6.899 7.716 -0.817 25442 2822 1 6 . 1 1 68 68 ALA N N 68 120.327 120.327 121.001 -0.674 25442 2823 1 6 . 1 1 68 68 ALA HA H 68 3.406 3.406 3.480 -0.074 25442 2824 1 6 . 1 1 68 68 ALA CA C 68 55.643 55.643 55.009 0.634 25442 2825 1 6 . 1 1 68 68 ALA CB C 68 19.395 19.395 17.923 1.472 25442 2826 1 6 . 1 1 68 68 ALA H H 68 8.201 8.201 8.116 0.085 25442 2827 1 6 . 1 1 69 69 VAL N N 69 118.977 118.977 118.800 0.177 25442 2828 1 6 . 1 1 69 69 VAL HA H 69 3.221 3.221 3.404 -0.183 25442 2829 1 6 . 1 1 69 69 VAL CA C 69 67.039 67.039 67.010 0.029 25442 2830 1 6 . 1 1 69 69 VAL CB C 69 31.896 31.896 31.796 0.100 25442 2831 1 6 . 1 1 69 69 VAL H H 69 8.235 8.235 8.067 0.168 25442 2832 1 6 . 1 1 70 70 ASP N N 70 116.894 116.894 118.400 -1.506 25442 2833 1 6 . 1 1 70 70 ASP HA H 70 3.941 3.941 4.380 -0.439 25442 2834 1 6 . 1 1 70 70 ASP CA C 70 57.576 57.576 56.602 0.974 25442 2835 1 6 . 1 1 70 70 ASP CB C 70 39.037 39.037 40.235 -1.198 25442 2836 1 6 . 1 1 70 70 ASP H H 70 8.152 8.152 7.811 0.341 25442 2837 1 6 . 1 1 71 71 ASN N N 71 110.936 110.936 117.142 -6.206 25442 2838 1 6 . 1 1 71 71 ASN HA H 71 5.009 5.009 4.393 0.616 25442 2839 1 6 . 1 1 71 71 ASN CA C 71 55.710 55.710 54.990 0.720 25442 2840 1 6 . 1 1 71 71 ASN CB C 71 42.091 42.091 38.696 3.395 25442 2841 1 6 . 1 1 71 71 ASN H H 71 7.562 7.562 8.089 -0.527 25442 2842 1 6 . 1 1 72 72 LEU N N 72 116.460 116.460 117.033 -0.573 25442 2843 1 6 . 1 1 72 72 LEU HA H 72 4.686 4.686 4.355 0.331 25442 2844 1 6 . 1 1 72 72 LEU CA C 72 54.411 54.411 53.612 0.799 25442 2845 1 6 . 1 1 72 72 LEU CB C 72 42.477 42.477 41.934 0.543 25442 2846 1 6 . 1 1 72 72 LEU H H 72 8.406 8.406 7.759 0.647 25442 2847 1 6 . 1 1 73 73 ASN N N 73 118.618 118.618 119.114 -0.496 25442 2848 1 6 . 1 1 73 73 ASN HA H 73 4.419 4.419 4.680 -0.261 25442 2849 1 6 . 1 1 73 73 ASN CA C 73 56.716 56.716 53.880 2.836 25442 2850 1 6 . 1 1 73 73 ASN CB C 73 39.452 39.452 38.354 1.098 25442 2851 1 6 . 1 1 73 73 ASN H H 73 6.956 6.956 7.878 -0.922 25442 2852 1 6 . 1 1 74 74 GLY N N 74 116.095 116.095 113.673 2.422 25442 2853 1 6 . 1 1 74 74 GLY CA C 74 45.912 45.912 44.941 0.971 25442 2854 1 6 . 1 1 74 74 GLY H H 74 9.379 9.379 8.575 0.804 25442 2855 1 6 . 1 1 75 75 PHE N N 75 123.354 123.354 122.831 0.523 25442 2856 1 6 . 1 1 75 75 PHE HA H 75 4.311 4.311 4.492 -0.181 25442 2857 1 6 . 1 1 75 75 PHE CA C 75 58.979 58.979 57.792 1.187 25442 2858 1 6 . 1 1 75 75 PHE CB C 75 41.709 41.709 40.390 1.319 25442 2859 1 6 . 1 1 75 75 PHE H H 75 8.211 8.211 7.442 0.769 25442 2860 1 6 . 1 1 76 76 LYS N N 76 127.267 127.267 125.657 1.610 25442 2861 1 6 . 1 1 76 76 LYS HA H 76 4.598 4.598 4.283 0.315 25442 2862 1 6 . 1 1 76 76 LYS CA C 76 56.529 56.529 55.511 1.018 25442 2863 1 6 . 1 1 76 76 LYS CB C 76 33.073 33.073 33.304 -0.231 25442 2864 1 6 . 1 1 76 76 LYS H H 76 7.648 7.648 7.732 -0.084 25442 2865 1 6 . 1 1 77 77 ILE N N 77 121.576 121.576 123.251 -1.675 25442 2866 1 6 . 1 1 77 77 ILE HA H 77 4.406 4.406 4.127 0.279 25442 2867 1 6 . 1 1 77 77 ILE CA C 77 60.214 60.214 61.171 -0.957 25442 2868 1 6 . 1 1 77 77 ILE CB C 77 40.048 40.048 40.723 -0.675 25442 2869 1 6 . 1 1 77 77 ILE H H 77 8.100 8.100 8.456 -0.356 25442 2870 1 6 . 1 1 78 78 GLY CA C 78 47.118 47.118 45.215 1.903 25442 2871 1 6 . 1 1 79 79 GLY CA C 79 45.171 45.171 44.700 0.471 25442 2872 1 6 . 1 1 80 80 ARG N N 80 119.377 119.377 121.410 -2.033 25442 2873 1 6 . 1 1 80 80 ARG HA H 80 4.650 4.650 4.612 0.038 25442 2874 1 6 . 1 1 80 80 ARG CA C 80 54.849 54.849 54.101 0.748 25442 2875 1 6 . 1 1 80 80 ARG CB C 80 33.411 33.411 32.271 1.140 25442 2876 1 6 . 1 1 80 80 ARG H H 80 7.379 7.379 7.518 -0.139 25442 2877 1 6 . 1 1 81 81 ALA N N 81 126.782 126.782 127.905 -1.123 25442 2878 1 6 . 1 1 81 81 ALA HA H 81 4.137 4.137 4.574 -0.437 25442 2879 1 6 . 1 1 81 81 ALA CA C 81 51.454 51.454 51.121 0.333 25442 2880 1 6 . 1 1 81 81 ALA CB C 81 19.131 19.131 19.230 -0.099 25442 2881 1 6 . 1 1 81 81 ALA H H 81 8.734 8.734 8.532 0.202 25442 2882 1 6 . 1 1 82 82 LEU N N 82 125.769 125.769 121.688 4.081 25442 2883 1 6 . 1 1 82 82 LEU HA H 82 4.390 4.390 5.117 -0.727 25442 2884 1 6 . 1 1 82 82 LEU CA C 82 56.196 56.196 54.486 1.710 25442 2885 1 6 . 1 1 82 82 LEU CB C 82 43.362 43.362 42.720 0.642 25442 2886 1 6 . 1 1 82 82 LEU H H 82 8.736 8.736 8.008 0.728 25442 2887 1 6 . 1 1 83 83 LYS N N 83 123.851 123.851 121.906 1.945 25442 2888 1 6 . 1 1 83 83 LYS HA H 83 5.005 5.005 4.694 0.311 25442 2889 1 6 . 1 1 83 83 LYS CA C 83 54.790 54.790 54.626 0.164 25442 2890 1 6 . 1 1 83 83 LYS CB C 83 34.212 34.212 33.945 0.267 25442 2891 1 6 . 1 1 83 83 LYS H H 83 7.838 7.838 8.687 -0.849 25442 2892 1 6 . 1 1 84 84 ILE N N 84 125.629 125.629 127.244 -1.615 25442 2893 1 6 . 1 1 84 84 ILE HA H 84 5.576 5.576 5.123 0.453 25442 2894 1 6 . 1 1 84 84 ILE CA C 84 58.513 58.513 59.245 -0.732 25442 2895 1 6 . 1 1 84 84 ILE CB C 84 40.310 40.310 37.409 2.901 25442 2896 1 6 . 1 1 84 84 ILE H H 84 8.727 8.727 8.658 0.069 25442 2897 1 6 . 1 1 85 85 ASP N N 85 124.427 124.427 127.471 -3.044 25442 2898 1 6 . 1 1 85 85 ASP HA H 85 5.094 5.094 4.869 0.225 25442 2899 1 6 . 1 1 85 85 ASP CA C 85 52.697 52.697 52.790 -0.093 25442 2900 1 6 . 1 1 85 85 ASP CB C 85 45.574 45.574 44.271 1.303 25442 2901 1 6 . 1 1 85 85 ASP H H 85 8.960 8.960 8.537 0.423 25442 2902 1 6 . 1 1 86 86 HIS N N 86 121.356 121.356 120.346 1.010 25442 2903 1 6 . 1 1 86 86 HIS HA H 86 4.635 4.635 4.660 -0.025 25442 2904 1 6 . 1 1 86 86 HIS CA C 86 58.158 58.158 57.622 0.536 25442 2905 1 6 . 1 1 86 86 HIS CB C 86 31.368 31.368 30.147 1.221 25442 2906 1 6 . 1 1 86 86 HIS H H 86 8.783 8.783 8.709 0.074 25442 2907 1 6 . 1 1 87 87 THR N N 87 114.331 114.331 119.332 -5.001 25442 2908 1 6 . 1 1 87 87 THR HA H 87 4.691 4.691 4.538 0.153 25442 2909 1 6 . 1 1 87 87 THR CA C 87 60.890 60.890 62.274 -1.384 25442 2910 1 6 . 1 1 87 87 THR CB C 87 70.215 70.215 69.545 0.670 25442 2911 1 6 . 1 1 87 87 THR H H 87 8.032 8.032 8.348 -0.316 25442 2912 1 6 . 1 1 88 88 PHE N N 88 118.673 118.673 123.996 -5.323 25442 2913 1 6 . 1 1 88 88 PHE HA H 88 4.305 4.305 4.715 -0.410 25442 2914 1 6 . 1 1 88 88 PHE CA C 88 58.926 58.926 56.880 2.046 25442 2915 1 6 . 1 1 88 88 PHE CB C 88 39.673 39.673 38.971 0.702 25442 2916 1 6 . 1 1 88 88 PHE H H 88 8.233 8.233 8.009 0.224 25442 2917 1 6 . 1 1 89 89 TYR N N 89 124.182 124.182 122.546 1.636 25442 2918 1 6 . 1 1 89 89 TYR HA H 89 4.193 4.193 4.376 -0.183 25442 2919 1 6 . 1 1 89 89 TYR CA C 89 58.510 58.510 57.614 0.895 25442 2920 1 6 . 1 1 89 89 TYR CB C 89 39.993 39.993 38.703 1.290 25442 2921 1 6 . 1 1 89 89 TYR H H 89 8.246 8.246 7.114 1.132 25442 2922 1 6 . 1 1 90 90 ARG N N 90 125.111 125.111 128.201 -3.090 25442 2923 1 6 . 1 1 90 90 ARG HA H 90 4.219 4.219 4.323 -0.104 25442 2924 1 6 . 1 1 90 90 ARG CA C 90 52.511 52.511 52.421 0.090 25442 2925 1 6 . 1 1 90 90 ARG CB C 90 31.298 31.298 30.053 1.245 25442 2926 1 6 . 1 1 90 90 ARG H H 90 7.223 7.223 7.493 -0.270 25442 2927 1 6 . 1 1 91 91 PRO HA H 91 4.028 4.028 4.156 -0.128 25442 2928 1 6 . 1 1 91 91 PRO CA C 91 62.759 62.759 62.787 -0.028 25442 2929 1 6 . 1 1 91 91 PRO CB C 91 32.074 32.074 31.973 0.101 25442 2930 1 6 . 1 1 94 94 SER HA H 94 4.466 4.466 4.230 0.236 25442 2931 1 6 . 1 1 94 94 SER CA C 94 58.273 58.273 58.823 -0.550 25442 2932 1 6 . 1 1 94 94 SER CB C 94 63.656 63.656 63.489 0.167 25442 2933 1 6 . 1 1 95 95 LEU HA H 95 4.369 4.369 4.578 -0.209 25442 2934 1 6 . 1 1 95 95 LEU CA C 95 55.482 55.482 54.505 0.977 25442 2935 1 6 . 1 1 95 95 LEU CB C 95 42.350 42.350 42.065 0.285 25442 2936 1 6 . 1 1 97 97 LYS HA H 97 4.197 4.197 3.931 0.266 25442 2937 1 6 . 1 1 97 97 LYS CA C 97 56.923 56.923 57.203 -0.280 25442 2938 1 6 . 1 1 97 97 LYS CB C 97 32.936 32.936 29.961 2.975 25442 2939 1 6 . 1 1 98 98 TYR N N 98 120.486 120.486 122.186 -1.700 25442 2940 1 6 . 1 1 98 98 TYR HA H 98 4.477 4.477 4.056 0.421 25442 2941 1 6 . 1 1 98 98 TYR CA C 98 58.249 58.249 61.717 -3.468 25442 2942 1 6 . 1 1 98 98 TYR CB C 98 38.659 38.659 38.464 0.195 25442 2943 1 6 . 1 1 98 98 TYR H H 98 7.979 7.979 8.266 -0.287 25442 2944 1 6 . 1 1 99 99 TYR N N 99 120.784 120.784 118.919 1.865 25442 2945 1 6 . 1 1 99 99 TYR HA H 99 4.455 4.455 4.152 0.303 25442 2946 1 6 . 1 1 99 99 TYR CA C 99 58.281 58.281 61.251 -2.970 25442 2947 1 6 . 1 1 99 99 TYR CB C 99 38.902 38.902 38.134 0.768 25442 2948 1 6 . 1 1 99 99 TYR H H 99 7.918 7.918 8.353 -0.435 25442 2949 1 6 . 1 1 100 100 GLU N N 100 122.033 122.033 117.906 4.127 25442 2950 1 6 . 1 1 100 100 GLU HA H 100 4.171 4.171 4.088 0.083 25442 2951 1 6 . 1 1 100 100 GLU CA C 100 56.766 56.766 57.862 -1.096 25442 2952 1 6 . 1 1 100 100 GLU H H 100 8.055 8.055 7.827 0.228 25442 2953 1 6 . 1 1 101 101 ALA N N 101 124.629 124.629 122.584 2.045 25442 2954 1 6 . 1 1 101 101 ALA HA H 101 4.283 4.283 3.954 0.329 25442 2955 1 6 . 1 1 101 101 ALA CA C 101 52.795 52.795 54.369 -1.574 25442 2956 1 6 . 1 1 101 101 ALA CB C 101 19.150 19.150 17.987 1.163 25442 2957 1 6 . 1 1 101 101 ALA H H 101 8.040 8.040 7.449 0.591 25442 2958 1 6 . 1 1 102 102 VAL N N 102 119.031 119.031 112.508 6.523 25442 2959 1 6 . 1 1 102 102 VAL HA H 102 4.039 4.039 3.720 0.319 25442 2960 1 6 . 1 1 102 102 VAL CA C 102 62.675 62.675 63.773 -1.098 25442 2961 1 6 . 1 1 102 102 VAL CB C 102 32.610 32.610 31.120 1.490 25442 2962 1 6 . 1 1 102 102 VAL H H 102 7.960 7.960 7.364 0.596 25442 2963 1 6 . 1 1 103 103 LYS N N 103 124.562 124.562 117.753 6.809 25442 2964 1 6 . 1 1 103 103 LYS HA H 103 4.258 4.258 4.469 -0.211 25442 2965 1 6 . 1 1 103 103 LYS CA C 103 56.797 56.797 55.035 1.762 25442 2966 1 6 . 1 1 103 103 LYS CB C 103 33.012 33.012 34.860 -1.848 25442 2967 1 6 . 1 1 103 103 LYS H H 103 8.207 8.207 7.399 0.808 25442 2968 1 6 . 1 1 104 104 GLU N N 104 121.722 121.722 119.213 2.509 25442 2969 1 6 . 1 1 104 104 GLU HA H 104 4.263 4.263 3.951 0.312 25442 2970 1 6 . 1 1 104 104 GLU CA C 104 57.034 57.034 57.340 -0.306 25442 2971 1 6 . 1 1 104 104 GLU CB C 104 30.351 30.351 28.279 2.072 25442 2972 1 6 . 1 1 104 104 GLU H H 104 8.325 8.325 8.977 -0.652 25442 2973 1 6 . 1 1 105 105 GLU N N 105 121.479 121.479 117.693 3.786 25442 2974 1 6 . 1 1 105 105 GLU HA H 105 4.264 4.264 4.106 0.158 25442 2975 1 6 . 1 1 105 105 GLU CA C 105 56.802 56.802 58.335 -1.533 25442 2976 1 6 . 1 1 105 105 GLU CB C 105 30.351 30.351 29.908 0.443 25442 2977 1 6 . 1 1 105 105 GLU H H 105 8.288 8.288 8.741 -0.453 25442 2978 1 6 . 1 1 106 106 LEU N N 106 122.549 122.549 116.038 6.511 25442 2979 1 6 . 1 1 106 106 LEU HA H 106 4.316 4.316 4.741 -0.425 25442 2980 1 6 . 1 1 106 106 LEU CA C 106 55.545 55.545 55.240 0.305 25442 2981 1 6 . 1 1 106 106 LEU CB C 106 42.538 42.538 42.326 0.212 25442 2982 1 6 . 1 1 106 106 LEU H H 106 8.154 8.154 7.586 0.568 25442 2983 1 6 . 1 1 107 107 ASP N N 107 120.656 120.656 122.121 -1.465 25442 2984 1 6 . 1 1 107 107 ASP HA H 107 4.587 4.587 4.603 -0.016 25442 2985 1 6 . 1 1 107 107 ASP CA C 107 54.715 54.715 53.572 1.143 25442 2986 1 6 . 1 1 107 107 ASP CB C 107 41.125 41.125 39.620 1.505 25442 2987 1 6 . 1 1 107 107 ASP H H 107 8.273 8.273 8.314 -0.041 25442 2988 1 6 . 1 1 108 108 ARG N N 108 120.710 120.710 121.133 -0.423 25442 2989 1 6 . 1 1 108 108 ARG HA H 108 4.272 4.272 4.069 0.203 25442 2990 1 6 . 1 1 108 108 ARG CA C 108 56.778 56.778 57.730 -0.952 25442 2991 1 6 . 1 1 108 108 ARG CB C 108 30.835 30.835 30.315 0.520 25442 2992 1 6 . 1 1 108 108 ARG H H 108 8.041 8.041 7.752 0.289 25442 2993 1 6 . 1 1 109 109 ASP N N 109 120.647 120.647 119.511 1.136 25442 2994 1 6 . 1 1 109 109 ASP CA C 109 54.862 54.862 53.156 1.706 25442 2995 1 6 . 1 1 109 109 ASP H H 109 8.331 8.331 8.132 0.199 25442 2996 1 6 . 1 1 110 110 ILE N N 110 120.220 120.220 126.045 -5.825 25442 2997 1 6 . 1 1 110 110 ILE HA H 110 4.140 4.140 4.252 -0.112 25442 2998 1 6 . 1 1 110 110 ILE CA C 110 61.760 61.760 59.026 2.734 25442 2999 1 6 . 1 1 110 110 ILE CB C 110 38.643 38.643 37.296 1.347 25442 3000 1 6 . 1 1 110 110 ILE H H 110 7.910 7.910 8.590 -0.680 25442 3001 1 6 . 1 1 111 111 VAL N N 111 122.698 122.698 128.994 -6.296 25442 3002 1 6 . 1 1 111 111 VAL HA H 111 4.095 4.095 3.819 0.276 25442 3003 1 6 . 1 1 111 111 VAL CA C 111 62.982 62.982 63.308 -0.326 25442 3004 1 6 . 1 1 111 111 VAL CB C 111 32.438 32.438 32.362 0.076 25442 3005 1 6 . 1 1 111 111 VAL H H 111 8.018 8.018 8.675 -0.657 25442 3006 1 6 . 1 1 112 112 SER HA H 112 4.439 4.439 4.154 0.285 25442 3007 1 6 . 1 1 112 112 SER CA C 112 58.581 58.581 58.596 -0.015 25442 3008 1 6 . 1 1 112 112 SER CB C 112 63.717 63.717 63.528 0.189 25442 3009 1 6 . 1 1 114 114 ASN HA H 114 4.690 4.690 4.659 0.031 25442 3010 1 6 . 1 1 114 114 ASN CA C 114 53.462 53.462 52.472 0.990 25442 3011 1 6 . 1 1 114 114 ASN CB C 114 39.073 39.073 37.245 1.828 25442 3012 1 6 . 1 1 115 115 ASN HA H 115 4.690 4.690 4.259 0.431 25442 3013 1 6 . 1 1 115 115 ASN CA C 115 53.476 53.476 53.646 -0.170 25442 3014 1 6 . 1 1 115 115 ASN CB C 115 39.073 39.073 37.041 2.032 25442 3015 1 6 . 1 1 116 116 ALA N N 116 123.691 123.691 116.901 6.790 25442 3016 1 6 . 1 1 116 116 ALA HA H 116 4.355 4.355 3.904 0.451 25442 3017 1 6 . 1 1 116 116 ALA CA C 116 52.748 52.748 53.016 -0.268 25442 3018 1 6 . 1 1 116 116 ALA CB C 116 19.559 19.559 17.694 1.865 25442 3019 1 6 . 1 1 116 116 ALA H H 116 8.144 8.144 8.077 0.067 25442 3020 1 6 . 1 1 117 117 GLU N N 117 120.174 120.174 116.642 3.532 25442 3021 1 6 . 1 1 117 117 GLU HA H 117 4.284 4.284 3.769 0.515 25442 3022 1 6 . 1 1 117 117 GLU CA C 117 56.731 56.731 58.297 -1.566 25442 3023 1 6 . 1 1 117 117 GLU CB C 117 29.944 29.944 29.326 0.619 25442 3024 1 6 . 1 1 117 117 GLU H H 117 8.234 8.234 8.159 0.075 25442 3025 1 7 . 1 1 2 2 ALA HA H 2 4.335 4.335 4.425 -0.090 25442 3026 1 7 . 1 1 2 2 ALA CA C 2 53.634 53.634 52.087 1.547 25442 3027 1 7 . 1 1 2 2 ALA CB C 2 19.441 19.441 19.565 -0.124 25442 3028 1 7 . 1 1 3 3 MET N N 3 120.791 120.791 123.207 -2.416 25442 3029 1 7 . 1 1 3 3 MET HA H 3 4.499 4.499 4.596 -0.097 25442 3030 1 7 . 1 1 3 3 MET CA C 3 55.772 55.772 54.755 1.017 25442 3031 1 7 . 1 1 3 3 MET CB C 3 32.968 32.968 31.500 1.468 25442 3032 1 7 . 1 1 3 3 MET H H 3 8.636 8.636 8.406 0.230 25442 3033 1 7 . 1 1 4 4 GLY N N 4 109.879 109.879 111.098 -1.219 25442 3034 1 7 . 1 1 4 4 GLY CA C 4 45.531 45.531 44.920 0.611 25442 3035 1 7 . 1 1 4 4 GLY H H 4 8.391 8.391 8.637 -0.246 25442 3036 1 7 . 1 1 5 5 ASN N N 5 124.309 124.309 117.031 7.278 25442 3037 1 7 . 1 1 5 5 ASN HA H 5 4.661 4.661 4.456 0.205 25442 3038 1 7 . 1 1 5 5 ASN CA C 5 53.419 53.419 53.411 0.008 25442 3039 1 7 . 1 1 5 5 ASN CB C 5 39.059 39.059 38.100 0.959 25442 3040 1 7 . 1 1 5 5 ASN H H 5 7.954 7.954 8.484 -0.530 25442 3041 1 7 . 1 1 7 7 TYR N N 7 120.088 120.088 122.219 -2.131 25442 3042 1 7 . 1 1 7 7 TYR HA H 7 4.463 4.463 4.393 0.070 25442 3043 1 7 . 1 1 7 7 TYR CA C 7 58.098 58.098 59.221 -1.123 25442 3044 1 7 . 1 1 7 7 TYR CB C 7 38.252 38.252 38.766 -0.513 25442 3045 1 7 . 1 1 7 7 TYR H H 7 8.013 8.013 8.611 -0.598 25442 3046 1 7 . 1 1 8 8 LYS N N 8 121.766 121.766 126.506 -4.740 25442 3047 1 7 . 1 1 8 8 LYS HA H 8 4.174 4.174 3.990 0.184 25442 3048 1 7 . 1 1 8 8 LYS CA C 8 56.835 56.835 56.374 0.461 25442 3049 1 7 . 1 1 8 8 LYS CB C 8 32.997 32.997 33.189 -0.192 25442 3050 1 7 . 1 1 8 8 LYS H H 8 7.845 7.845 7.983 -0.138 25442 3051 1 7 . 1 1 9 9 ASP N N 9 119.739 119.739 122.388 -2.649 25442 3052 1 7 . 1 1 9 9 ASP HA H 9 4.477 4.477 4.670 -0.193 25442 3053 1 7 . 1 1 9 9 ASP CA C 9 54.660 54.660 53.351 1.309 25442 3054 1 7 . 1 1 9 9 ASP CB C 9 41.100 41.100 39.584 1.516 25442 3055 1 7 . 1 1 9 9 ASP H H 9 8.043 8.043 8.316 -0.273 25442 3056 1 7 . 1 1 10 10 ASN N N 10 119.260 119.260 121.690 -2.430 25442 3057 1 7 . 1 1 10 10 ASN HA H 10 4.875 4.875 4.534 0.341 25442 3058 1 7 . 1 1 10 10 ASN CA C 10 53.255 53.255 52.010 1.245 25442 3059 1 7 . 1 1 10 10 ASN CB C 10 39.105 39.105 38.937 0.168 25442 3060 1 7 . 1 1 10 10 ASN H H 10 8.174 8.174 7.562 0.612 25442 3061 1 7 . 1 1 11 11 ALA N N 11 122.869 122.869 124.167 -1.298 25442 3062 1 7 . 1 1 11 11 ALA HA H 11 4.544 4.544 4.469 0.075 25442 3063 1 7 . 1 1 11 11 ALA CA C 11 52.866 52.866 51.812 1.054 25442 3064 1 7 . 1 1 11 11 ALA H H 11 8.299 8.299 8.195 0.104 25442 3065 1 7 . 1 1 12 12 TYR N N 12 117.351 117.351 117.940 -0.589 25442 3066 1 7 . 1 1 12 12 TYR HA H 12 5.220 5.220 5.457 -0.237 25442 3067 1 7 . 1 1 12 12 TYR CA C 12 57.621 57.621 56.443 1.178 25442 3068 1 7 . 1 1 12 12 TYR CB C 12 41.631 41.631 42.773 -1.142 25442 3069 1 7 . 1 1 12 12 TYR H H 12 8.340 8.340 8.113 0.227 25442 3070 1 7 . 1 1 13 13 ILE N N 13 112.184 112.184 120.276 -8.092 25442 3071 1 7 . 1 1 13 13 ILE HA H 13 5.052 5.052 4.493 0.559 25442 3072 1 7 . 1 1 13 13 ILE CA C 13 59.995 59.995 60.592 -0.597 25442 3073 1 7 . 1 1 13 13 ILE CB C 13 40.418 40.418 39.240 1.178 25442 3074 1 7 . 1 1 13 13 ILE H H 13 9.216 9.216 8.697 0.519 25442 3075 1 7 . 1 1 14 14 TYR N N 14 123.504 123.504 129.685 -6.181 25442 3076 1 7 . 1 1 14 14 TYR HA H 14 4.690 4.690 4.739 -0.049 25442 3077 1 7 . 1 1 14 14 TYR CA C 14 56.688 56.688 57.761 -1.073 25442 3078 1 7 . 1 1 14 14 TYR CB C 14 40.564 40.564 40.076 0.488 25442 3079 1 7 . 1 1 14 14 TYR H H 14 9.086 9.086 9.095 -0.009 25442 3080 1 7 . 1 1 15 15 ILE N N 15 127.611 127.611 127.399 0.212 25442 3081 1 7 . 1 1 15 15 ILE HA H 15 4.288 4.288 4.666 -0.378 25442 3082 1 7 . 1 1 15 15 ILE CA C 15 59.654 59.654 59.996 -0.342 25442 3083 1 7 . 1 1 15 15 ILE CB C 15 40.260 40.260 40.739 -0.479 25442 3084 1 7 . 1 1 15 15 ILE H H 15 8.448 8.448 7.243 1.205 25442 3085 1 7 . 1 1 16 16 GLY N N 16 112.660 112.660 111.529 1.131 25442 3086 1 7 . 1 1 16 16 GLY CA C 16 43.240 43.240 43.351 -0.111 25442 3087 1 7 . 1 1 16 16 GLY H H 16 9.438 9.438 9.004 0.434 25442 3088 1 7 . 1 1 17 17 ASN N N 17 114.980 114.980 115.200 -0.220 25442 3089 1 7 . 1 1 17 17 ASN HA H 17 4.439 4.439 4.347 0.092 25442 3090 1 7 . 1 1 17 17 ASN CA C 17 53.251 53.251 54.005 -0.754 25442 3091 1 7 . 1 1 17 17 ASN CB C 17 38.259 38.259 37.077 1.182 25442 3092 1 7 . 1 1 17 17 ASN H H 17 8.497 8.497 8.720 -0.223 25442 3093 1 7 . 1 1 18 18 LEU N N 18 115.182 115.182 114.260 0.922 25442 3094 1 7 . 1 1 18 18 LEU HA H 18 4.068 4.068 4.605 -0.537 25442 3095 1 7 . 1 1 18 18 LEU CA C 18 54.073 54.073 54.092 -0.019 25442 3096 1 7 . 1 1 18 18 LEU CB C 18 42.912 42.912 42.931 -0.019 25442 3097 1 7 . 1 1 18 18 LEU H H 18 7.859 7.859 7.660 0.199 25442 3098 1 7 . 1 1 19 19 ASN N N 19 122.392 122.392 119.444 2.948 25442 3099 1 7 . 1 1 19 19 ASN HA H 19 4.464 4.464 4.674 -0.210 25442 3100 1 7 . 1 1 19 19 ASN CA C 19 54.087 54.087 53.052 1.035 25442 3101 1 7 . 1 1 19 19 ASN CB C 19 38.703 38.703 39.647 -0.944 25442 3102 1 7 . 1 1 19 19 ASN H H 19 8.727 8.727 8.494 0.233 25442 3103 1 7 . 1 1 20 20 ARG N N 20 126.283 126.283 124.295 1.988 25442 3104 1 7 . 1 1 20 20 ARG HA H 20 3.937 3.937 4.010 -0.073 25442 3105 1 7 . 1 1 20 20 ARG CA C 20 58.719 58.719 58.492 0.227 25442 3106 1 7 . 1 1 20 20 ARG CB C 20 29.719 29.719 30.154 -0.435 25442 3107 1 7 . 1 1 20 20 ARG H H 20 8.940 8.940 8.643 0.297 25442 3108 1 7 . 1 1 21 21 GLU N N 21 117.166 117.166 118.870 -1.704 25442 3109 1 7 . 1 1 21 21 GLU HA H 21 4.321 4.321 4.179 0.142 25442 3110 1 7 . 1 1 21 21 GLU CA C 21 56.778 56.778 56.868 -0.090 25442 3111 1 7 . 1 1 21 21 GLU H H 21 8.867 8.867 8.062 0.805 25442 3112 1 7 . 1 1 22 22 LEU N N 22 119.643 119.643 120.777 -1.134 25442 3113 1 7 . 1 1 22 22 LEU HA H 22 4.540 4.540 4.289 0.251 25442 3114 1 7 . 1 1 22 22 LEU CA C 22 55.505 55.505 56.044 -0.539 25442 3115 1 7 . 1 1 22 22 LEU CB C 22 42.251 42.251 41.773 0.478 25442 3116 1 7 . 1 1 22 22 LEU H H 22 7.324 7.324 7.349 -0.025 25442 3117 1 7 . 1 1 23 23 THR N N 23 114.564 114.564 119.578 -5.014 25442 3118 1 7 . 1 1 23 23 THR HA H 23 4.483 4.483 4.479 0.004 25442 3119 1 7 . 1 1 23 23 THR CA C 23 60.155 60.155 60.170 -0.015 25442 3120 1 7 . 1 1 23 23 THR CB C 23 73.000 73.000 71.438 1.562 25442 3121 1 7 . 1 1 23 23 THR H H 23 9.483 9.483 8.118 1.365 25442 3122 1 7 . 1 1 24 24 GLU N N 24 120.458 120.458 120.820 -0.362 25442 3123 1 7 . 1 1 24 24 GLU HA H 24 3.604 3.604 4.074 -0.470 25442 3124 1 7 . 1 1 24 24 GLU CA C 24 62.158 62.158 60.130 2.028 25442 3125 1 7 . 1 1 24 24 GLU H H 24 10.410 10.410 8.900 1.510 25442 3126 1 7 . 1 1 25 25 GLY N N 25 105.261 105.261 107.479 -2.218 25442 3127 1 7 . 1 1 25 25 GLY CA C 25 47.219 47.219 47.119 0.100 25442 3128 1 7 . 1 1 25 25 GLY H H 25 8.402 8.402 7.716 0.686 25442 3129 1 7 . 1 1 26 26 ASP N N 26 122.820 122.820 122.421 0.399 25442 3130 1 7 . 1 1 26 26 ASP HA H 26 4.515 4.515 4.407 0.108 25442 3131 1 7 . 1 1 26 26 ASP CA C 26 58.005 58.005 57.137 0.868 25442 3132 1 7 . 1 1 26 26 ASP CB C 26 41.261 41.261 40.350 0.911 25442 3133 1 7 . 1 1 26 26 ASP H H 26 7.539 7.539 7.973 -0.434 25442 3134 1 7 . 1 1 27 27 ILE N N 27 118.686 118.686 120.519 -1.833 25442 3135 1 7 . 1 1 27 27 ILE HA H 27 3.609 3.609 3.767 -0.158 25442 3136 1 7 . 1 1 27 27 ILE CA C 27 65.348 65.348 65.278 0.070 25442 3137 1 7 . 1 1 27 27 ILE CB C 27 37.789 37.789 37.902 -0.113 25442 3138 1 7 . 1 1 27 27 ILE H H 27 7.832 7.832 7.759 0.073 25442 3139 1 7 . 1 1 28 28 LEU N N 28 119.737 119.737 120.350 -0.613 25442 3140 1 7 . 1 1 28 28 LEU HA H 28 3.790 3.790 3.827 -0.037 25442 3141 1 7 . 1 1 28 28 LEU CA C 28 59.040 59.040 58.681 0.359 25442 3142 1 7 . 1 1 28 28 LEU CB C 28 42.520 42.520 41.574 0.946 25442 3143 1 7 . 1 1 28 28 LEU H H 28 8.731 8.731 7.772 0.959 25442 3144 1 7 . 1 1 29 29 THR N N 29 119.509 119.509 115.330 4.179 25442 3145 1 7 . 1 1 29 29 THR HA H 29 4.045 4.045 3.904 0.141 25442 3146 1 7 . 1 1 29 29 THR CA C 29 67.196 67.196 66.829 0.367 25442 3147 1 7 . 1 1 29 29 THR CB C 29 69.194 69.194 68.847 0.348 25442 3148 1 7 . 1 1 29 29 THR H H 29 8.251 8.251 7.687 0.564 25442 3149 1 7 . 1 1 30 30 VAL N N 30 117.974 117.974 121.655 -3.681 25442 3150 1 7 . 1 1 30 30 VAL HA H 30 3.869 3.869 3.731 0.138 25442 3151 1 7 . 1 1 30 30 VAL CA C 30 65.727 65.727 66.490 -0.763 25442 3152 1 7 . 1 1 30 30 VAL CB C 30 32.912 32.912 31.552 1.360 25442 3153 1 7 . 1 1 30 30 VAL H H 30 7.627 7.627 7.913 -0.286 25442 3154 1 7 . 1 1 31 31 PHE N N 31 113.937 113.937 117.922 -3.985 25442 3155 1 7 . 1 1 31 31 PHE HA H 31 3.908 3.908 4.503 -0.595 25442 3156 1 7 . 1 1 31 31 PHE CA C 31 62.044 62.044 59.715 2.329 25442 3157 1 7 . 1 1 31 31 PHE CB C 31 37.217 37.217 38.815 -1.598 25442 3158 1 7 . 1 1 31 31 PHE H H 31 8.903 8.903 8.608 0.295 25442 3159 1 7 . 1 1 32 32 SER N N 32 118.854 118.854 116.777 2.077 25442 3160 1 7 . 1 1 32 32 SER HA H 32 5.405 5.405 3.881 1.524 25442 3161 1 7 . 1 1 32 32 SER CA C 32 61.282 61.282 62.163 -0.881 25442 3162 1 7 . 1 1 32 32 SER CB C 32 64.055 64.055 62.736 1.319 25442 3163 1 7 . 1 1 32 32 SER H H 32 8.024 8.024 8.432 -0.408 25442 3164 1 7 . 1 1 33 33 GLU N N 33 121.203 121.203 121.582 -0.379 25442 3165 1 7 . 1 1 33 33 GLU HA H 33 2.246 2.246 3.998 -1.752 25442 3166 1 7 . 1 1 33 33 GLU CA C 33 59.596 59.596 57.758 1.838 25442 3167 1 7 . 1 1 33 33 GLU H H 33 6.935 6.935 8.322 -1.387 25442 3168 1 7 . 1 1 34 34 TYR N N 34 108.039 108.039 118.740 -10.701 25442 3169 1 7 . 1 1 34 34 TYR HA H 34 4.953 4.953 4.397 0.556 25442 3170 1 7 . 1 1 34 34 TYR CA C 34 57.226 57.226 57.876 -0.650 25442 3171 1 7 . 1 1 34 34 TYR CB C 34 38.821 38.821 37.613 1.208 25442 3172 1 7 . 1 1 34 34 TYR H H 34 6.254 6.254 7.560 -1.306 25442 3173 1 7 . 1 1 35 35 GLY N N 35 103.601 103.601 106.938 -3.337 25442 3174 1 7 . 1 1 35 35 GLY CA C 35 44.594 44.594 44.481 0.113 25442 3175 1 7 . 1 1 35 35 GLY H H 35 7.247 7.247 7.175 0.072 25442 3176 1 7 . 1 1 36 36 VAL N N 36 120.482 120.482 122.637 -2.155 25442 3177 1 7 . 1 1 36 36 VAL HA H 36 4.537 4.537 4.038 0.499 25442 3178 1 7 . 1 1 36 36 VAL CA C 36 59.942 59.942 60.717 -0.775 25442 3179 1 7 . 1 1 36 36 VAL CB C 36 33.989 33.989 33.278 0.711 25442 3180 1 7 . 1 1 36 36 VAL H H 36 8.549 8.549 7.479 1.070 25442 3181 1 7 . 1 1 37 37 PRO HA H 37 4.543 4.543 4.545 -0.002 25442 3182 1 7 . 1 1 37 37 PRO CA C 37 62.043 62.043 61.877 0.166 25442 3183 1 7 . 1 1 37 37 PRO CB C 37 31.531 31.531 32.231 -0.700 25442 3184 1 7 . 1 1 38 38 VAL N N 38 118.566 118.566 115.352 3.214 25442 3185 1 7 . 1 1 38 38 VAL HA H 38 4.439 4.439 4.330 0.109 25442 3186 1 7 . 1 1 38 38 VAL CA C 38 61.064 61.064 62.379 -1.315 25442 3187 1 7 . 1 1 38 38 VAL CB C 38 32.842 32.842 32.423 0.419 25442 3188 1 7 . 1 1 38 38 VAL H H 38 9.099 9.099 8.353 0.746 25442 3189 1 7 . 1 1 39 39 ASP N N 39 118.912 118.912 119.116 -0.204 25442 3190 1 7 . 1 1 39 39 ASP HA H 39 4.920 4.920 4.859 0.061 25442 3191 1 7 . 1 1 39 39 ASP CA C 39 54.860 54.860 53.999 0.861 25442 3192 1 7 . 1 1 39 39 ASP CB C 39 44.441 44.441 45.089 -0.648 25442 3193 1 7 . 1 1 39 39 ASP H H 39 7.300 7.300 7.736 -0.436 25442 3194 1 7 . 1 1 40 40 VAL N N 40 123.365 123.365 117.349 6.016 25442 3195 1 7 . 1 1 40 40 VAL HA H 40 4.759 4.759 4.980 -0.221 25442 3196 1 7 . 1 1 40 40 VAL CA C 40 61.259 61.259 60.127 1.132 25442 3197 1 7 . 1 1 40 40 VAL CB C 40 34.464 34.464 35.494 -1.030 25442 3198 1 7 . 1 1 40 40 VAL H H 40 8.052 8.052 8.357 -0.305 25442 3199 1 7 . 1 1 41 41 ILE N N 41 127.951 127.951 124.172 3.779 25442 3200 1 7 . 1 1 41 41 ILE HA H 41 4.361 4.361 4.378 -0.017 25442 3201 1 7 . 1 1 41 41 ILE CA C 41 60.204 60.204 60.745 -0.541 25442 3202 1 7 . 1 1 41 41 ILE CB C 41 41.220 41.220 39.857 1.363 25442 3203 1 7 . 1 1 41 41 ILE H H 41 9.031 9.031 8.675 0.356 25442 3204 1 7 . 1 1 42 42 LEU N N 42 130.034 130.034 129.885 0.149 25442 3205 1 7 . 1 1 42 42 LEU HA H 42 4.415 4.415 4.529 -0.114 25442 3206 1 7 . 1 1 42 42 LEU CA C 42 53.832 53.832 53.888 -0.056 25442 3207 1 7 . 1 1 42 42 LEU CB C 42 44.353 44.353 42.621 1.732 25442 3208 1 7 . 1 1 42 42 LEU H H 42 8.935 8.935 8.625 0.310 25442 3209 1 7 . 1 1 43 43 SER N N 43 121.977 121.977 120.503 1.474 25442 3210 1 7 . 1 1 43 43 SER HA H 43 4.092 4.092 4.548 -0.456 25442 3211 1 7 . 1 1 43 43 SER CA C 43 59.298 59.298 58.691 0.607 25442 3212 1 7 . 1 1 43 43 SER CB C 43 62.879 62.879 63.973 -1.094 25442 3213 1 7 . 1 1 43 43 SER H H 43 8.088 8.088 8.387 -0.299 25442 3214 1 7 . 1 1 44 44 ARG N N 44 125.852 125.852 123.055 2.797 25442 3215 1 7 . 1 1 44 44 ARG HA H 44 4.906 4.906 4.382 0.524 25442 3216 1 7 . 1 1 44 44 ARG CA C 44 54.363 54.363 55.780 -1.417 25442 3217 1 7 . 1 1 44 44 ARG CB C 44 34.095 34.095 33.564 0.531 25442 3218 1 7 . 1 1 44 44 ARG H H 44 8.081 8.081 8.371 -0.290 25442 3219 1 7 . 1 1 45 45 ASP N N 45 123.150 123.150 126.288 -3.138 25442 3220 1 7 . 1 1 45 45 ASP HA H 45 4.425 4.425 4.756 -0.331 25442 3221 1 7 . 1 1 45 45 ASP CA C 45 54.728 54.728 53.324 1.405 25442 3222 1 7 . 1 1 45 45 ASP CB C 45 43.318 43.318 41.723 1.595 25442 3223 1 7 . 1 1 45 45 ASP H H 45 8.594 8.594 8.591 0.002 25442 3224 1 7 . 1 1 46 46 GLU N N 46 127.786 127.786 125.196 2.590 25442 3225 1 7 . 1 1 46 46 GLU HA H 46 4.048 4.048 4.003 0.045 25442 3226 1 7 . 1 1 46 46 GLU CA C 46 59.018 59.018 57.846 1.171 25442 3227 1 7 . 1 1 46 46 GLU CB C 46 29.870 29.870 29.459 0.411 25442 3228 1 7 . 1 1 46 46 GLU H H 46 9.250 9.250 8.755 0.495 25442 3229 1 7 . 1 1 47 47 ASN N N 47 116.105 116.105 118.159 -2.054 25442 3230 1 7 . 1 1 47 47 ASN HA H 47 4.825 4.825 4.552 0.273 25442 3231 1 7 . 1 1 47 47 ASN CA C 47 55.321 55.321 55.483 -0.162 25442 3232 1 7 . 1 1 47 47 ASN CB C 47 39.927 39.927 38.883 1.044 25442 3233 1 7 . 1 1 47 47 ASN H H 47 8.857 8.857 8.969 -0.112 25442 3234 1 7 . 1 1 48 48 THR N N 48 108.395 108.395 110.955 -2.560 25442 3235 1 7 . 1 1 48 48 THR HA H 48 4.461 4.461 4.416 0.045 25442 3236 1 7 . 1 1 48 48 THR CA C 48 61.883 61.883 62.152 -0.269 25442 3237 1 7 . 1 1 48 48 THR CB C 48 71.194 71.194 70.063 1.131 25442 3238 1 7 . 1 1 48 48 THR H H 48 8.539 8.539 7.636 0.903 25442 3239 1 7 . 1 1 49 49 GLY N N 49 110.910 110.910 110.752 0.158 25442 3240 1 7 . 1 1 49 49 GLY CA C 49 45.706 45.706 44.776 0.930 25442 3241 1 7 . 1 1 49 49 GLY H H 49 8.293 8.293 7.861 0.432 25442 3242 1 7 . 1 1 50 50 GLU N N 50 120.328 120.328 118.065 2.263 25442 3243 1 7 . 1 1 50 50 GLU HA H 50 4.162 4.162 4.014 0.148 25442 3244 1 7 . 1 1 50 50 GLU CA C 50 56.540 56.540 56.624 -0.084 25442 3245 1 7 . 1 1 50 50 GLU CB C 50 30.948 30.948 28.577 2.371 25442 3246 1 7 . 1 1 50 50 GLU H H 50 7.854 7.854 8.428 -0.574 25442 3247 1 7 . 1 1 51 51 SER N N 51 117.235 117.235 113.846 3.389 25442 3248 1 7 . 1 1 51 51 SER HA H 51 4.391 4.391 4.480 -0.089 25442 3249 1 7 . 1 1 51 51 SER CA C 51 58.361 58.361 58.461 -0.100 25442 3250 1 7 . 1 1 51 51 SER CB C 51 64.438 64.438 64.119 0.319 25442 3251 1 7 . 1 1 51 51 SER H H 51 8.950 8.950 7.796 1.154 25442 3252 1 7 . 1 1 52 52 GLN N N 52 122.996 122.996 119.526 3.470 25442 3253 1 7 . 1 1 52 52 GLN HA H 52 4.516 4.516 4.290 0.226 25442 3254 1 7 . 1 1 52 52 GLN CA C 52 55.406 55.406 56.507 -1.101 25442 3255 1 7 . 1 1 52 52 GLN CB C 52 29.624 29.624 28.696 0.928 25442 3256 1 7 . 1 1 52 52 GLN H H 52 8.929 8.929 8.801 0.128 25442 3257 1 7 . 1 1 53 53 GLY N N 53 106.139 106.139 106.731 -0.592 25442 3258 1 7 . 1 1 53 53 GLY CA C 53 46.434 46.434 44.797 1.637 25442 3259 1 7 . 1 1 53 53 GLY H H 53 8.876 8.876 7.714 1.162 25442 3260 1 7 . 1 1 54 54 PHE N N 54 112.294 112.294 115.966 -3.672 25442 3261 1 7 . 1 1 54 54 PHE HA H 54 5.436 5.436 4.707 0.729 25442 3262 1 7 . 1 1 54 54 PHE CA C 54 55.464 55.464 54.535 0.929 25442 3263 1 7 . 1 1 54 54 PHE CB C 54 41.207 41.207 39.125 2.082 25442 3264 1 7 . 1 1 54 54 PHE H H 54 6.938 6.938 7.421 -0.483 25442 3265 1 7 . 1 1 55 55 ALA N N 55 121.935 121.935 124.309 -2.374 25442 3266 1 7 . 1 1 55 55 ALA HA H 55 5.051 5.051 4.389 0.662 25442 3267 1 7 . 1 1 55 55 ALA CA C 55 49.517 49.517 51.193 -1.676 25442 3268 1 7 . 1 1 55 55 ALA CB C 55 24.966 24.966 22.183 2.784 25442 3269 1 7 . 1 1 55 55 ALA H H 55 9.098 9.098 7.869 1.229 25442 3270 1 7 . 1 1 56 56 TYR N N 56 114.799 114.799 118.584 -3.785 25442 3271 1 7 . 1 1 56 56 TYR HA H 56 5.652 5.652 4.915 0.737 25442 3272 1 7 . 1 1 56 56 TYR CA C 56 56.128 56.128 57.092 -0.964 25442 3273 1 7 . 1 1 56 56 TYR CB C 56 42.405 42.405 40.279 2.126 25442 3274 1 7 . 1 1 56 56 TYR H H 56 8.572 8.572 8.226 0.346 25442 3275 1 7 . 1 1 57 57 LEU N N 57 123.129 123.129 124.591 -1.462 25442 3276 1 7 . 1 1 57 57 LEU HA H 57 5.100 5.100 4.638 0.462 25442 3277 1 7 . 1 1 57 57 LEU CA C 57 54.552 54.552 54.570 -0.018 25442 3278 1 7 . 1 1 57 57 LEU H H 57 8.600 8.600 8.463 0.137 25442 3279 1 7 . 1 1 58 58 LYS N N 58 126.556 126.556 126.179 0.377 25442 3280 1 7 . 1 1 58 58 LYS HA H 58 4.553 4.553 4.638 -0.085 25442 3281 1 7 . 1 1 58 58 LYS CA C 58 54.518 54.518 54.914 -0.396 25442 3282 1 7 . 1 1 58 58 LYS CB C 58 36.254 36.254 34.752 1.502 25442 3283 1 7 . 1 1 58 58 LYS H H 58 8.389 8.389 8.240 0.149 25442 3284 1 7 . 1 1 59 59 TYR N N 59 126.761 126.761 127.338 -0.577 25442 3285 1 7 . 1 1 59 59 TYR HA H 59 5.061 5.061 4.666 0.395 25442 3286 1 7 . 1 1 59 59 TYR CA C 59 58.271 58.271 55.981 2.290 25442 3287 1 7 . 1 1 59 59 TYR H H 59 9.035 9.035 8.801 0.234 25442 3288 1 7 . 1 1 60 60 GLU N N 60 120.097 120.097 125.287 -5.190 25442 3289 1 7 . 1 1 60 60 GLU HA H 60 3.890 3.890 3.918 -0.028 25442 3290 1 7 . 1 1 60 60 GLU CA C 60 59.244 59.244 58.402 0.842 25442 3291 1 7 . 1 1 60 60 GLU CB C 60 31.145 31.145 29.796 1.349 25442 3292 1 7 . 1 1 60 60 GLU H H 60 8.796 8.796 8.582 0.214 25442 3293 1 7 . 1 1 61 61 ASP N N 61 117.697 117.697 117.160 0.537 25442 3294 1 7 . 1 1 61 61 ASP HA H 61 4.842 4.842 4.503 0.339 25442 3295 1 7 . 1 1 61 61 ASP CA C 61 51.550 51.550 53.594 -2.044 25442 3296 1 7 . 1 1 61 61 ASP CB C 61 43.258 43.258 41.034 2.224 25442 3297 1 7 . 1 1 61 61 ASP H H 61 8.006 8.006 6.856 1.150 25442 3298 1 7 . 1 1 62 62 GLN N N 62 126.321 126.321 125.006 1.315 25442 3299 1 7 . 1 1 62 62 GLN HA H 62 4.223 4.223 4.121 0.102 25442 3300 1 7 . 1 1 62 62 GLN CA C 62 58.637 58.637 58.279 0.358 25442 3301 1 7 . 1 1 62 62 GLN CB C 62 27.994 27.994 29.075 -1.081 25442 3302 1 7 . 1 1 62 62 GLN H H 62 9.053 9.053 8.614 0.439 25442 3303 1 7 . 1 1 63 63 ARG N N 63 121.086 121.086 118.860 2.226 25442 3304 1 7 . 1 1 63 63 ARG HA H 63 3.654 3.654 4.125 -0.471 25442 3305 1 7 . 1 1 63 63 ARG CA C 63 58.971 58.971 58.644 0.327 25442 3306 1 7 . 1 1 63 63 ARG H H 63 8.960 8.960 8.075 0.885 25442 3307 1 7 . 1 1 64 64 SER N N 64 114.891 114.891 114.714 0.177 25442 3308 1 7 . 1 1 64 64 SER HA H 64 3.704 3.704 4.360 -0.656 25442 3309 1 7 . 1 1 64 64 SER CA C 64 63.589 63.589 62.351 1.238 25442 3310 1 7 . 1 1 64 64 SER H H 64 8.143 8.143 8.969 -0.826 25442 3311 1 7 . 1 1 65 65 THR N N 65 111.019 111.019 114.954 -3.935 25442 3312 1 7 . 1 1 65 65 THR HA H 65 3.765 3.765 4.183 -0.418 25442 3313 1 7 . 1 1 65 65 THR CA C 65 66.198 66.198 65.468 0.730 25442 3314 1 7 . 1 1 65 65 THR CB C 65 68.461 68.461 68.614 -0.153 25442 3315 1 7 . 1 1 65 65 THR H H 65 7.633 7.633 7.818 -0.185 25442 3316 1 7 . 1 1 66 66 ILE N N 66 123.242 123.242 121.900 1.342 25442 3317 1 7 . 1 1 66 66 ILE HA H 66 3.673 3.673 3.848 -0.175 25442 3318 1 7 . 1 1 66 66 ILE CA C 66 64.506 64.506 65.449 -0.943 25442 3319 1 7 . 1 1 66 66 ILE CB C 66 38.668 38.668 37.662 1.006 25442 3320 1 7 . 1 1 66 66 ILE H H 66 6.648 6.648 7.710 -1.062 25442 3321 1 7 . 1 1 67 67 LEU N N 67 113.375 113.375 120.188 -6.813 25442 3322 1 7 . 1 1 67 67 LEU HA H 67 3.627 3.627 3.972 -0.345 25442 3323 1 7 . 1 1 67 67 LEU CA C 67 57.678 57.678 58.422 -0.744 25442 3324 1 7 . 1 1 67 67 LEU CB C 67 41.866 41.866 41.407 0.459 25442 3325 1 7 . 1 1 67 67 LEU H H 67 6.899 6.899 7.938 -1.039 25442 3326 1 7 . 1 1 68 68 ALA N N 68 120.327 120.327 121.140 -0.813 25442 3327 1 7 . 1 1 68 68 ALA HA H 68 3.406 3.406 3.435 -0.029 25442 3328 1 7 . 1 1 68 68 ALA CA C 68 55.643 55.643 54.995 0.648 25442 3329 1 7 . 1 1 68 68 ALA CB C 68 19.395 19.395 18.223 1.172 25442 3330 1 7 . 1 1 68 68 ALA H H 68 8.201 8.201 7.765 0.436 25442 3331 1 7 . 1 1 69 69 VAL N N 69 118.977 118.977 118.580 0.397 25442 3332 1 7 . 1 1 69 69 VAL HA H 69 3.221 3.221 3.522 -0.301 25442 3333 1 7 . 1 1 69 69 VAL CA C 69 67.039 67.039 67.039 0.000 25442 3334 1 7 . 1 1 69 69 VAL CB C 69 31.896 31.896 31.397 0.499 25442 3335 1 7 . 1 1 69 69 VAL H H 69 8.235 8.235 8.229 0.006 25442 3336 1 7 . 1 1 70 70 ASP N N 70 116.894 116.894 119.045 -2.151 25442 3337 1 7 . 1 1 70 70 ASP HA H 70 3.941 3.941 4.468 -0.527 25442 3338 1 7 . 1 1 70 70 ASP CA C 70 57.576 57.576 56.771 0.805 25442 3339 1 7 . 1 1 70 70 ASP CB C 70 39.037 39.037 40.330 -1.293 25442 3340 1 7 . 1 1 70 70 ASP H H 70 8.152 8.152 8.184 -0.031 25442 3341 1 7 . 1 1 71 71 ASN N N 71 110.936 110.936 115.722 -4.786 25442 3342 1 7 . 1 1 71 71 ASN HA H 71 5.009 5.009 4.601 0.408 25442 3343 1 7 . 1 1 71 71 ASN CA C 71 55.710 55.710 54.380 1.330 25442 3344 1 7 . 1 1 71 71 ASN CB C 71 42.091 42.091 39.685 2.406 25442 3345 1 7 . 1 1 71 71 ASN H H 71 7.562 7.562 7.737 -0.175 25442 3346 1 7 . 1 1 72 72 LEU N N 72 116.460 116.460 117.536 -1.076 25442 3347 1 7 . 1 1 72 72 LEU HA H 72 4.686 4.686 4.243 0.443 25442 3348 1 7 . 1 1 72 72 LEU CA C 72 54.411 54.411 54.243 0.168 25442 3349 1 7 . 1 1 72 72 LEU CB C 72 42.477 42.477 42.752 -0.275 25442 3350 1 7 . 1 1 72 72 LEU H H 72 8.406 8.406 7.844 0.562 25442 3351 1 7 . 1 1 73 73 ASN N N 73 118.618 118.618 119.113 -0.495 25442 3352 1 7 . 1 1 73 73 ASN HA H 73 4.419 4.419 4.543 -0.124 25442 3353 1 7 . 1 1 73 73 ASN CA C 73 56.716 56.716 54.918 1.798 25442 3354 1 7 . 1 1 73 73 ASN CB C 73 39.452 39.452 38.660 0.792 25442 3355 1 7 . 1 1 73 73 ASN H H 73 6.956 6.956 8.192 -1.236 25442 3356 1 7 . 1 1 74 74 GLY N N 74 116.095 116.095 114.588 1.507 25442 3357 1 7 . 1 1 74 74 GLY CA C 74 45.912 45.912 45.326 0.586 25442 3358 1 7 . 1 1 74 74 GLY H H 74 9.379 9.379 8.403 0.976 25442 3359 1 7 . 1 1 75 75 PHE N N 75 123.354 123.354 122.628 0.726 25442 3360 1 7 . 1 1 75 75 PHE HA H 75 4.311 4.311 4.408 -0.097 25442 3361 1 7 . 1 1 75 75 PHE CA C 75 58.979 58.979 57.392 1.587 25442 3362 1 7 . 1 1 75 75 PHE CB C 75 41.709 41.709 40.201 1.508 25442 3363 1 7 . 1 1 75 75 PHE H H 75 8.211 8.211 7.422 0.789 25442 3364 1 7 . 1 1 76 76 LYS N N 76 127.267 127.267 128.612 -1.345 25442 3365 1 7 . 1 1 76 76 LYS HA H 76 4.598 4.598 4.349 0.249 25442 3366 1 7 . 1 1 76 76 LYS CA C 76 56.529 56.529 56.535 -0.007 25442 3367 1 7 . 1 1 76 76 LYS CB C 76 33.073 33.073 32.495 0.578 25442 3368 1 7 . 1 1 76 76 LYS H H 76 7.648 7.648 8.068 -0.420 25442 3369 1 7 . 1 1 77 77 ILE N N 77 121.576 121.576 126.804 -5.228 25442 3370 1 7 . 1 1 77 77 ILE HA H 77 4.406 4.406 4.333 0.073 25442 3371 1 7 . 1 1 77 77 ILE CA C 77 60.214 60.214 60.891 -0.677 25442 3372 1 7 . 1 1 77 77 ILE CB C 77 40.048 40.048 40.448 -0.400 25442 3373 1 7 . 1 1 77 77 ILE H H 77 8.100 8.100 9.090 -0.990 25442 3374 1 7 . 1 1 78 78 GLY CA C 78 47.118 47.118 45.381 1.737 25442 3375 1 7 . 1 1 79 79 GLY CA C 79 45.171 45.171 44.830 0.341 25442 3376 1 7 . 1 1 80 80 ARG N N 80 119.377 119.377 120.611 -1.234 25442 3377 1 7 . 1 1 80 80 ARG HA H 80 4.650 4.650 4.673 -0.023 25442 3378 1 7 . 1 1 80 80 ARG CA C 80 54.849 54.849 54.268 0.581 25442 3379 1 7 . 1 1 80 80 ARG CB C 80 33.411 33.411 33.594 -0.183 25442 3380 1 7 . 1 1 80 80 ARG H H 80 7.379 7.379 7.631 -0.252 25442 3381 1 7 . 1 1 81 81 ALA N N 81 126.782 126.782 123.915 2.867 25442 3382 1 7 . 1 1 81 81 ALA HA H 81 4.137 4.137 4.320 -0.183 25442 3383 1 7 . 1 1 81 81 ALA CA C 81 51.454 51.454 51.344 0.110 25442 3384 1 7 . 1 1 81 81 ALA CB C 81 19.131 19.131 19.695 -0.564 25442 3385 1 7 . 1 1 81 81 ALA H H 81 8.734 8.734 8.411 0.323 25442 3386 1 7 . 1 1 82 82 LEU N N 82 125.769 125.769 122.836 2.933 25442 3387 1 7 . 1 1 82 82 LEU HA H 82 4.390 4.390 4.413 -0.023 25442 3388 1 7 . 1 1 82 82 LEU CA C 82 56.196 56.196 54.502 1.694 25442 3389 1 7 . 1 1 82 82 LEU CB C 82 43.362 43.362 44.193 -0.831 25442 3390 1 7 . 1 1 82 82 LEU H H 82 8.736 8.736 8.006 0.730 25442 3391 1 7 . 1 1 83 83 LYS N N 83 123.851 123.851 124.256 -0.405 25442 3392 1 7 . 1 1 83 83 LYS HA H 83 5.005 5.005 4.716 0.289 25442 3393 1 7 . 1 1 83 83 LYS CA C 83 54.790 54.790 55.610 -0.820 25442 3394 1 7 . 1 1 83 83 LYS CB C 83 34.212 34.212 34.407 -0.195 25442 3395 1 7 . 1 1 83 83 LYS H H 83 7.838 7.838 8.292 -0.454 25442 3396 1 7 . 1 1 84 84 ILE N N 84 125.629 125.629 125.389 0.240 25442 3397 1 7 . 1 1 84 84 ILE HA H 84 5.576 5.576 5.197 0.379 25442 3398 1 7 . 1 1 84 84 ILE CA C 84 58.513 58.513 59.592 -1.079 25442 3399 1 7 . 1 1 84 84 ILE CB C 84 40.310 40.310 42.131 -1.821 25442 3400 1 7 . 1 1 84 84 ILE H H 84 8.727 8.727 8.592 0.135 25442 3401 1 7 . 1 1 85 85 ASP N N 85 124.427 124.427 124.292 0.135 25442 3402 1 7 . 1 1 85 85 ASP HA H 85 5.094 5.094 4.905 0.189 25442 3403 1 7 . 1 1 85 85 ASP CA C 85 52.697 52.697 52.877 -0.180 25442 3404 1 7 . 1 1 85 85 ASP CB C 85 45.574 45.574 44.993 0.581 25442 3405 1 7 . 1 1 85 85 ASP H H 85 8.960 8.960 9.002 -0.042 25442 3406 1 7 . 1 1 86 86 HIS N N 86 121.356 121.356 119.346 2.010 25442 3407 1 7 . 1 1 86 86 HIS HA H 86 4.635 4.635 4.799 -0.164 25442 3408 1 7 . 1 1 86 86 HIS CA C 86 58.158 58.158 56.929 1.229 25442 3409 1 7 . 1 1 86 86 HIS CB C 86 31.368 31.368 30.828 0.540 25442 3410 1 7 . 1 1 86 86 HIS H H 86 8.783 8.783 8.646 0.137 25442 3411 1 7 . 1 1 87 87 THR N N 87 114.331 114.331 118.610 -4.279 25442 3412 1 7 . 1 1 87 87 THR HA H 87 4.691 4.691 4.696 -0.005 25442 3413 1 7 . 1 1 87 87 THR CA C 87 60.890 60.890 60.191 0.699 25442 3414 1 7 . 1 1 87 87 THR CB C 87 70.215 70.215 70.926 -0.711 25442 3415 1 7 . 1 1 87 87 THR H H 87 8.032 8.032 8.397 -0.365 25442 3416 1 7 . 1 1 88 88 PHE N N 88 118.673 118.673 124.411 -5.738 25442 3417 1 7 . 1 1 88 88 PHE HA H 88 4.305 4.305 4.870 -0.565 25442 3418 1 7 . 1 1 88 88 PHE CA C 88 58.926 58.926 55.344 3.582 25442 3419 1 7 . 1 1 88 88 PHE CB C 88 39.673 39.673 38.172 1.501 25442 3420 1 7 . 1 1 88 88 PHE H H 88 8.233 8.233 8.147 0.086 25442 3421 1 7 . 1 1 89 89 TYR N N 89 124.182 124.182 123.361 0.821 25442 3422 1 7 . 1 1 89 89 TYR HA H 89 4.193 4.193 3.978 0.215 25442 3423 1 7 . 1 1 89 89 TYR CA C 89 58.510 58.510 58.172 0.338 25442 3424 1 7 . 1 1 89 89 TYR CB C 89 39.993 39.993 38.569 1.424 25442 3425 1 7 . 1 1 89 89 TYR H H 89 8.246 8.246 7.262 0.984 25442 3426 1 7 . 1 1 90 90 ARG N N 90 125.111 125.111 128.465 -3.354 25442 3427 1 7 . 1 1 90 90 ARG HA H 90 4.219 4.219 4.327 -0.108 25442 3428 1 7 . 1 1 90 90 ARG CA C 90 52.511 52.511 52.491 0.020 25442 3429 1 7 . 1 1 90 90 ARG CB C 90 31.298 31.298 30.808 0.490 25442 3430 1 7 . 1 1 90 90 ARG H H 90 7.223 7.223 8.026 -0.803 25442 3431 1 7 . 1 1 91 91 PRO HA H 91 4.028 4.028 4.084 -0.056 25442 3432 1 7 . 1 1 91 91 PRO CA C 91 62.759 62.759 62.044 0.715 25442 3433 1 7 . 1 1 91 91 PRO CB C 91 32.074 32.074 32.257 -0.183 25442 3434 1 7 . 1 1 94 94 SER HA H 94 4.466 4.466 4.226 0.240 25442 3435 1 7 . 1 1 94 94 SER CA C 94 58.273 58.273 58.381 -0.108 25442 3436 1 7 . 1 1 94 94 SER CB C 94 63.656 63.656 62.709 0.947 25442 3437 1 7 . 1 1 95 95 LEU HA H 95 4.369 4.369 4.524 -0.155 25442 3438 1 7 . 1 1 95 95 LEU CA C 95 55.482 55.482 54.696 0.786 25442 3439 1 7 . 1 1 95 95 LEU CB C 95 42.350 42.350 41.142 1.208 25442 3440 1 7 . 1 1 97 97 LYS HA H 97 4.197 4.197 4.495 -0.298 25442 3441 1 7 . 1 1 97 97 LYS CA C 97 56.923 56.923 56.074 0.849 25442 3442 1 7 . 1 1 97 97 LYS CB C 97 32.936 32.936 33.391 -0.455 25442 3443 1 7 . 1 1 98 98 TYR N N 98 120.486 120.486 124.936 -4.450 25442 3444 1 7 . 1 1 98 98 TYR HA H 98 4.477 4.477 4.738 -0.261 25442 3445 1 7 . 1 1 98 98 TYR CA C 98 58.249 58.249 58.608 -0.359 25442 3446 1 7 . 1 1 98 98 TYR CB C 98 38.659 38.659 40.228 -1.569 25442 3447 1 7 . 1 1 98 98 TYR H H 98 7.979 7.979 8.786 -0.807 25442 3448 1 7 . 1 1 99 99 TYR N N 99 120.784 120.784 126.550 -5.766 25442 3449 1 7 . 1 1 99 99 TYR HA H 99 4.455 4.455 4.410 0.045 25442 3450 1 7 . 1 1 99 99 TYR CA C 99 58.281 58.281 58.712 -0.431 25442 3451 1 7 . 1 1 99 99 TYR CB C 99 38.902 38.902 39.043 -0.141 25442 3452 1 7 . 1 1 99 99 TYR H H 99 7.918 7.918 8.000 -0.081 25442 3453 1 7 . 1 1 100 100 GLU N N 100 122.033 122.033 122.336 -0.303 25442 3454 1 7 . 1 1 100 100 GLU HA H 100 4.171 4.171 4.040 0.131 25442 3455 1 7 . 1 1 100 100 GLU CA C 100 56.766 56.766 58.693 -1.927 25442 3456 1 7 . 1 1 100 100 GLU H H 100 8.055 8.055 9.047 -0.992 25442 3457 1 7 . 1 1 101 101 ALA N N 101 124.629 124.629 120.430 4.199 25442 3458 1 7 . 1 1 101 101 ALA HA H 101 4.283 4.283 4.110 0.173 25442 3459 1 7 . 1 1 101 101 ALA CA C 101 52.795 52.795 52.006 0.789 25442 3460 1 7 . 1 1 101 101 ALA CB C 101 19.150 19.150 17.987 1.163 25442 3461 1 7 . 1 1 101 101 ALA H H 101 8.040 8.040 7.591 0.449 25442 3462 1 7 . 1 1 102 102 VAL N N 102 119.031 119.031 119.158 -0.127 25442 3463 1 7 . 1 1 102 102 VAL HA H 102 4.039 4.039 3.848 0.191 25442 3464 1 7 . 1 1 102 102 VAL CA C 102 62.675 62.675 63.021 -0.346 25442 3465 1 7 . 1 1 102 102 VAL CB C 102 32.610 32.610 31.870 0.740 25442 3466 1 7 . 1 1 102 102 VAL H H 102 7.960 7.960 7.231 0.729 25442 3467 1 7 . 1 1 103 103 LYS N N 103 124.562 124.562 126.267 -1.705 25442 3468 1 7 . 1 1 103 103 LYS HA H 103 4.258 4.258 3.851 0.407 25442 3469 1 7 . 1 1 103 103 LYS CA C 103 56.797 56.797 58.432 -1.635 25442 3470 1 7 . 1 1 103 103 LYS CB C 103 33.012 33.012 31.701 1.311 25442 3471 1 7 . 1 1 103 103 LYS H H 103 8.207 8.207 8.460 -0.253 25442 3472 1 7 . 1 1 104 104 GLU N N 104 121.722 121.722 121.602 0.120 25442 3473 1 7 . 1 1 104 104 GLU HA H 104 4.263 4.263 4.150 0.113 25442 3474 1 7 . 1 1 104 104 GLU CA C 104 57.034 57.034 56.959 0.075 25442 3475 1 7 . 1 1 104 104 GLU CB C 104 30.351 30.351 28.498 1.853 25442 3476 1 7 . 1 1 104 104 GLU H H 104 8.325 8.325 8.230 0.095 25442 3477 1 7 . 1 1 105 105 GLU N N 105 121.479 121.479 122.872 -1.393 25442 3478 1 7 . 1 1 105 105 GLU HA H 105 4.264 4.264 4.436 -0.172 25442 3479 1 7 . 1 1 105 105 GLU CA C 105 56.802 56.802 56.378 0.424 25442 3480 1 7 . 1 1 105 105 GLU CB C 105 30.351 30.351 30.266 0.085 25442 3481 1 7 . 1 1 105 105 GLU H H 105 8.288 8.288 8.001 0.287 25442 3482 1 7 . 1 1 106 106 LEU N N 106 122.549 122.549 120.984 1.565 25442 3483 1 7 . 1 1 106 106 LEU HA H 106 4.316 4.316 4.311 0.005 25442 3484 1 7 . 1 1 106 106 LEU CA C 106 55.545 55.545 55.247 0.298 25442 3485 1 7 . 1 1 106 106 LEU CB C 106 42.538 42.538 42.314 0.224 25442 3486 1 7 . 1 1 106 106 LEU H H 106 8.154 8.154 8.117 0.037 25442 3487 1 7 . 1 1 107 107 ASP N N 107 120.656 120.656 118.016 2.640 25442 3488 1 7 . 1 1 107 107 ASP HA H 107 4.587 4.587 4.519 0.068 25442 3489 1 7 . 1 1 107 107 ASP CA C 107 54.715 54.715 55.569 -0.854 25442 3490 1 7 . 1 1 107 107 ASP CB C 107 41.125 41.125 41.523 -0.398 25442 3491 1 7 . 1 1 107 107 ASP H H 107 8.273 8.273 7.814 0.459 25442 3492 1 7 . 1 1 108 108 ARG N N 108 120.710 120.710 120.770 -0.060 25442 3493 1 7 . 1 1 108 108 ARG HA H 108 4.272 4.272 4.344 -0.072 25442 3494 1 7 . 1 1 108 108 ARG CA C 108 56.778 56.778 56.078 0.700 25442 3495 1 7 . 1 1 108 108 ARG CB C 108 30.835 30.835 30.766 0.069 25442 3496 1 7 . 1 1 108 108 ARG H H 108 8.041 8.041 8.350 -0.309 25442 3497 1 7 . 1 1 109 109 ASP N N 109 120.647 120.647 121.775 -1.128 25442 3498 1 7 . 1 1 109 109 ASP CA C 109 54.862 54.862 53.532 1.331 25442 3499 1 7 . 1 1 109 109 ASP H H 109 8.331 8.331 8.104 0.227 25442 3500 1 7 . 1 1 110 110 ILE N N 110 120.220 120.220 113.549 6.671 25442 3501 1 7 . 1 1 110 110 ILE HA H 110 4.140 4.140 4.457 -0.317 25442 3502 1 7 . 1 1 110 110 ILE CA C 110 61.760 61.760 59.717 2.043 25442 3503 1 7 . 1 1 110 110 ILE CB C 110 38.643 38.643 40.114 -1.471 25442 3504 1 7 . 1 1 110 110 ILE H H 110 7.910 7.910 7.733 0.177 25442 3505 1 7 . 1 1 111 111 VAL N N 111 122.698 122.698 118.946 3.752 25442 3506 1 7 . 1 1 111 111 VAL HA H 111 4.095 4.095 4.453 -0.358 25442 3507 1 7 . 1 1 111 111 VAL CA C 111 62.982 62.982 61.736 1.246 25442 3508 1 7 . 1 1 111 111 VAL CB C 111 32.438 32.438 32.338 0.100 25442 3509 1 7 . 1 1 111 111 VAL H H 111 8.018 8.018 8.367 -0.349 25442 3510 1 7 . 1 1 112 112 SER HA H 112 4.439 4.439 4.222 0.217 25442 3511 1 7 . 1 1 112 112 SER CA C 112 58.581 58.581 59.663 -1.082 25442 3512 1 7 . 1 1 112 112 SER CB C 112 63.717 63.717 63.000 0.717 25442 3513 1 7 . 1 1 114 114 ASN HA H 114 4.690 4.690 4.880 -0.190 25442 3514 1 7 . 1 1 114 114 ASN CA C 114 53.462 53.462 52.001 1.461 25442 3515 1 7 . 1 1 114 114 ASN CB C 114 39.073 39.073 41.780 -2.707 25442 3516 1 7 . 1 1 115 115 ASN HA H 115 4.690 4.690 4.616 0.074 25442 3517 1 7 . 1 1 115 115 ASN CA C 115 53.476 53.476 54.305 -0.829 25442 3518 1 7 . 1 1 115 115 ASN CB C 115 39.073 39.073 37.905 1.168 25442 3519 1 7 . 1 1 116 116 ALA N N 116 123.691 123.691 122.207 1.484 25442 3520 1 7 . 1 1 116 116 ALA HA H 116 4.355 4.355 4.196 0.159 25442 3521 1 7 . 1 1 116 116 ALA CA C 116 52.748 52.748 54.050 -1.302 25442 3522 1 7 . 1 1 116 116 ALA CB C 116 19.559 19.559 18.773 0.786 25442 3523 1 7 . 1 1 116 116 ALA H H 116 8.144 8.144 8.116 0.028 25442 3524 1 7 . 1 1 117 117 GLU N N 117 120.174 120.174 114.662 5.512 25442 3525 1 7 . 1 1 117 117 GLU HA H 117 4.284 4.284 4.346 -0.062 25442 3526 1 7 . 1 1 117 117 GLU CA C 117 56.731 56.731 55.318 1.413 25442 3527 1 7 . 1 1 117 117 GLU CB C 117 29.944 29.944 31.538 -1.594 25442 3528 1 7 . 1 1 117 117 GLU H H 117 8.234 8.234 7.780 0.454 25442 3529 1 8 . 1 1 2 2 ALA HA H 2 4.335 4.335 4.386 -0.051 25442 3530 1 8 . 1 1 2 2 ALA CA C 2 53.634 53.634 52.155 1.479 25442 3531 1 8 . 1 1 2 2 ALA CB C 2 19.441 19.441 19.629 -0.188 25442 3532 1 8 . 1 1 3 3 MET N N 3 120.791 120.791 121.446 -0.655 25442 3533 1 8 . 1 1 3 3 MET HA H 3 4.499 4.499 4.452 0.047 25442 3534 1 8 . 1 1 3 3 MET CA C 3 55.772 55.772 55.381 0.391 25442 3535 1 8 . 1 1 3 3 MET CB C 3 32.968 32.968 33.176 -0.208 25442 3536 1 8 . 1 1 3 3 MET H H 3 8.636 8.636 8.354 0.282 25442 3537 1 8 . 1 1 4 4 GLY N N 4 109.879 109.879 113.641 -3.762 25442 3538 1 8 . 1 1 4 4 GLY CA C 4 45.531 45.531 44.475 1.056 25442 3539 1 8 . 1 1 4 4 GLY H H 4 8.391 8.391 8.781 -0.390 25442 3540 1 8 . 1 1 5 5 ASN N N 5 124.309 124.309 118.640 5.669 25442 3541 1 8 . 1 1 5 5 ASN HA H 5 4.661 4.661 4.719 -0.058 25442 3542 1 8 . 1 1 5 5 ASN CA C 5 53.419 53.419 52.638 0.781 25442 3543 1 8 . 1 1 5 5 ASN CB C 5 39.059 39.059 38.884 0.175 25442 3544 1 8 . 1 1 5 5 ASN H H 5 7.954 7.954 8.604 -0.650 25442 3545 1 8 . 1 1 7 7 TYR N N 7 120.088 120.088 117.540 2.548 25442 3546 1 8 . 1 1 7 7 TYR HA H 7 4.463 4.463 4.613 -0.150 25442 3547 1 8 . 1 1 7 7 TYR CA C 7 58.098 58.098 57.191 0.907 25442 3548 1 8 . 1 1 7 7 TYR CB C 7 38.252 38.252 39.896 -1.644 25442 3549 1 8 . 1 1 7 7 TYR H H 7 8.013 8.013 7.871 0.142 25442 3550 1 8 . 1 1 8 8 LYS N N 8 121.766 121.766 118.650 3.116 25442 3551 1 8 . 1 1 8 8 LYS HA H 8 4.174 4.174 4.024 0.150 25442 3552 1 8 . 1 1 8 8 LYS CA C 8 56.835 56.835 56.995 -0.160 25442 3553 1 8 . 1 1 8 8 LYS CB C 8 32.997 32.997 31.351 1.646 25442 3554 1 8 . 1 1 8 8 LYS H H 8 7.845 7.845 8.744 -0.899 25442 3555 1 8 . 1 1 9 9 ASP N N 9 119.739 119.739 119.722 0.017 25442 3556 1 8 . 1 1 9 9 ASP HA H 9 4.477 4.477 4.807 -0.330 25442 3557 1 8 . 1 1 9 9 ASP CA C 9 54.660 54.660 54.062 0.598 25442 3558 1 8 . 1 1 9 9 ASP CB C 9 41.100 41.100 39.998 1.102 25442 3559 1 8 . 1 1 9 9 ASP H H 9 8.043 8.043 8.502 -0.459 25442 3560 1 8 . 1 1 10 10 ASN N N 10 119.260 119.260 123.907 -4.647 25442 3561 1 8 . 1 1 10 10 ASN HA H 10 4.875 4.875 4.822 0.053 25442 3562 1 8 . 1 1 10 10 ASN CA C 10 53.255 53.255 52.763 0.492 25442 3563 1 8 . 1 1 10 10 ASN CB C 10 39.105 39.105 39.538 -0.433 25442 3564 1 8 . 1 1 10 10 ASN H H 10 8.174 8.174 8.001 0.173 25442 3565 1 8 . 1 1 11 11 ALA N N 11 122.869 122.869 124.114 -1.245 25442 3566 1 8 . 1 1 11 11 ALA HA H 11 4.544 4.544 4.471 0.073 25442 3567 1 8 . 1 1 11 11 ALA CA C 11 52.866 52.866 52.230 0.636 25442 3568 1 8 . 1 1 11 11 ALA H H 11 8.299 8.299 8.311 -0.012 25442 3569 1 8 . 1 1 12 12 TYR N N 12 117.351 117.351 116.586 0.765 25442 3570 1 8 . 1 1 12 12 TYR HA H 12 5.220 5.220 5.096 0.124 25442 3571 1 8 . 1 1 12 12 TYR CA C 12 57.621 57.621 56.517 1.104 25442 3572 1 8 . 1 1 12 12 TYR CB C 12 41.631 41.631 42.779 -1.149 25442 3573 1 8 . 1 1 12 12 TYR H H 12 8.340 8.340 8.687 -0.347 25442 3574 1 8 . 1 1 13 13 ILE N N 13 112.184 112.184 119.501 -7.317 25442 3575 1 8 . 1 1 13 13 ILE HA H 13 5.052 5.052 4.344 0.708 25442 3576 1 8 . 1 1 13 13 ILE CA C 13 59.995 59.995 60.556 -0.561 25442 3577 1 8 . 1 1 13 13 ILE CB C 13 40.418 40.418 38.647 1.771 25442 3578 1 8 . 1 1 13 13 ILE H H 13 9.216 9.216 8.320 0.896 25442 3579 1 8 . 1 1 14 14 TYR N N 14 123.504 123.504 129.855 -6.351 25442 3580 1 8 . 1 1 14 14 TYR HA H 14 4.690 4.690 4.816 -0.126 25442 3581 1 8 . 1 1 14 14 TYR CA C 14 56.688 56.688 57.762 -1.074 25442 3582 1 8 . 1 1 14 14 TYR CB C 14 40.564 40.564 40.058 0.506 25442 3583 1 8 . 1 1 14 14 TYR H H 14 9.086 9.086 9.157 -0.071 25442 3584 1 8 . 1 1 15 15 ILE N N 15 127.611 127.611 128.034 -0.423 25442 3585 1 8 . 1 1 15 15 ILE HA H 15 4.288 4.288 4.499 -0.211 25442 3586 1 8 . 1 1 15 15 ILE CA C 15 59.654 59.654 59.966 -0.312 25442 3587 1 8 . 1 1 15 15 ILE CB C 15 40.260 40.260 39.887 0.373 25442 3588 1 8 . 1 1 15 15 ILE H H 15 8.448 8.448 8.050 0.398 25442 3589 1 8 . 1 1 16 16 GLY N N 16 112.660 112.660 111.764 0.896 25442 3590 1 8 . 1 1 16 16 GLY CA C 16 43.240 43.240 43.548 -0.308 25442 3591 1 8 . 1 1 16 16 GLY H H 16 9.438 9.438 8.195 1.243 25442 3592 1 8 . 1 1 17 17 ASN N N 17 114.980 114.980 117.263 -2.283 25442 3593 1 8 . 1 1 17 17 ASN HA H 17 4.439 4.439 4.395 0.044 25442 3594 1 8 . 1 1 17 17 ASN CA C 17 53.251 53.251 53.871 -0.620 25442 3595 1 8 . 1 1 17 17 ASN CB C 17 38.259 38.259 37.858 0.400 25442 3596 1 8 . 1 1 17 17 ASN H H 17 8.497 8.497 8.268 0.230 25442 3597 1 8 . 1 1 18 18 LEU N N 18 115.182 115.182 115.168 0.014 25442 3598 1 8 . 1 1 18 18 LEU HA H 18 4.068 4.068 4.617 -0.549 25442 3599 1 8 . 1 1 18 18 LEU CA C 18 54.073 54.073 54.231 -0.158 25442 3600 1 8 . 1 1 18 18 LEU CB C 18 42.912 42.912 42.590 0.322 25442 3601 1 8 . 1 1 18 18 LEU H H 18 7.859 7.859 7.237 0.622 25442 3602 1 8 . 1 1 19 19 ASN N N 19 122.392 122.392 119.072 3.320 25442 3603 1 8 . 1 1 19 19 ASN HA H 19 4.464 4.464 4.637 -0.173 25442 3604 1 8 . 1 1 19 19 ASN CA C 19 54.087 54.087 52.870 1.217 25442 3605 1 8 . 1 1 19 19 ASN CB C 19 38.703 38.703 39.805 -1.102 25442 3606 1 8 . 1 1 19 19 ASN H H 19 8.727 8.727 8.584 0.143 25442 3607 1 8 . 1 1 20 20 ARG N N 20 126.283 126.283 124.304 1.979 25442 3608 1 8 . 1 1 20 20 ARG HA H 20 3.937 3.937 3.997 -0.060 25442 3609 1 8 . 1 1 20 20 ARG CA C 20 58.719 58.719 58.453 0.266 25442 3610 1 8 . 1 1 20 20 ARG CB C 20 29.719 29.719 30.073 -0.354 25442 3611 1 8 . 1 1 20 20 ARG H H 20 8.940 8.940 8.751 0.189 25442 3612 1 8 . 1 1 21 21 GLU N N 21 117.166 117.166 117.515 -0.349 25442 3613 1 8 . 1 1 21 21 GLU HA H 21 4.321 4.321 4.231 0.090 25442 3614 1 8 . 1 1 21 21 GLU CA C 21 56.778 56.778 56.790 -0.012 25442 3615 1 8 . 1 1 21 21 GLU H H 21 8.867 8.867 8.164 0.703 25442 3616 1 8 . 1 1 22 22 LEU N N 22 119.643 119.643 121.477 -1.834 25442 3617 1 8 . 1 1 22 22 LEU HA H 22 4.540 4.540 4.140 0.400 25442 3618 1 8 . 1 1 22 22 LEU CA C 22 55.505 55.505 55.387 0.118 25442 3619 1 8 . 1 1 22 22 LEU CB C 22 42.251 42.251 41.623 0.628 25442 3620 1 8 . 1 1 22 22 LEU H H 22 7.324 7.324 7.479 -0.155 25442 3621 1 8 . 1 1 23 23 THR N N 23 114.564 114.564 116.717 -2.153 25442 3622 1 8 . 1 1 23 23 THR HA H 23 4.483 4.483 4.515 -0.032 25442 3623 1 8 . 1 1 23 23 THR CA C 23 60.155 60.155 59.960 0.195 25442 3624 1 8 . 1 1 23 23 THR CB C 23 73.000 73.000 71.378 1.622 25442 3625 1 8 . 1 1 23 23 THR H H 23 9.483 9.483 8.036 1.447 25442 3626 1 8 . 1 1 24 24 GLU N N 24 120.458 120.458 120.975 -0.517 25442 3627 1 8 . 1 1 24 24 GLU HA H 24 3.604 3.604 3.939 -0.335 25442 3628 1 8 . 1 1 24 24 GLU CA C 24 62.158 62.158 60.184 1.974 25442 3629 1 8 . 1 1 24 24 GLU H H 24 10.410 10.410 8.884 1.526 25442 3630 1 8 . 1 1 25 25 GLY N N 25 105.261 105.261 106.474 -1.213 25442 3631 1 8 . 1 1 25 25 GLY CA C 25 47.219 47.219 46.960 0.259 25442 3632 1 8 . 1 1 25 25 GLY H H 25 8.402 8.402 8.264 0.138 25442 3633 1 8 . 1 1 26 26 ASP N N 26 122.820 122.820 123.184 -0.364 25442 3634 1 8 . 1 1 26 26 ASP HA H 26 4.515 4.515 4.457 0.058 25442 3635 1 8 . 1 1 26 26 ASP CA C 26 58.005 58.005 57.212 0.793 25442 3636 1 8 . 1 1 26 26 ASP CB C 26 41.261 41.261 40.459 0.802 25442 3637 1 8 . 1 1 26 26 ASP H H 26 7.539 7.539 7.583 -0.044 25442 3638 1 8 . 1 1 27 27 ILE N N 27 118.686 118.686 120.580 -1.894 25442 3639 1 8 . 1 1 27 27 ILE HA H 27 3.609 3.609 3.802 -0.193 25442 3640 1 8 . 1 1 27 27 ILE CA C 27 65.348 65.348 65.291 0.057 25442 3641 1 8 . 1 1 27 27 ILE CB C 27 37.789 37.789 37.907 -0.118 25442 3642 1 8 . 1 1 27 27 ILE H H 27 7.832 7.832 7.789 0.043 25442 3643 1 8 . 1 1 28 28 LEU N N 28 119.737 119.737 120.799 -1.062 25442 3644 1 8 . 1 1 28 28 LEU HA H 28 3.790 3.790 3.891 -0.101 25442 3645 1 8 . 1 1 28 28 LEU CA C 28 59.040 59.040 58.651 0.389 25442 3646 1 8 . 1 1 28 28 LEU CB C 28 42.520 42.520 41.552 0.968 25442 3647 1 8 . 1 1 28 28 LEU H H 28 8.731 8.731 7.999 0.732 25442 3648 1 8 . 1 1 29 29 THR N N 29 119.509 119.509 115.202 4.307 25442 3649 1 8 . 1 1 29 29 THR HA H 29 4.045 4.045 3.982 0.063 25442 3650 1 8 . 1 1 29 29 THR CA C 29 67.196 67.196 66.536 0.660 25442 3651 1 8 . 1 1 29 29 THR CB C 29 69.194 69.194 68.471 0.723 25442 3652 1 8 . 1 1 29 29 THR H H 29 8.251 8.251 7.821 0.430 25442 3653 1 8 . 1 1 30 30 VAL N N 30 117.974 117.974 121.456 -3.482 25442 3654 1 8 . 1 1 30 30 VAL HA H 30 3.869 3.869 3.725 0.144 25442 3655 1 8 . 1 1 30 30 VAL CA C 30 65.727 65.727 66.535 -0.808 25442 3656 1 8 . 1 1 30 30 VAL CB C 30 32.912 32.912 32.057 0.855 25442 3657 1 8 . 1 1 30 30 VAL H H 30 7.627 7.627 7.887 -0.260 25442 3658 1 8 . 1 1 31 31 PHE N N 31 113.937 113.937 118.087 -4.150 25442 3659 1 8 . 1 1 31 31 PHE HA H 31 3.908 3.908 4.503 -0.595 25442 3660 1 8 . 1 1 31 31 PHE CA C 31 62.044 62.044 60.259 1.785 25442 3661 1 8 . 1 1 31 31 PHE CB C 31 37.217 37.217 38.685 -1.468 25442 3662 1 8 . 1 1 31 31 PHE H H 31 8.903 8.903 8.969 -0.066 25442 3663 1 8 . 1 1 32 32 SER N N 32 118.854 118.854 116.119 2.735 25442 3664 1 8 . 1 1 32 32 SER HA H 32 5.405 5.405 4.049 1.356 25442 3665 1 8 . 1 1 32 32 SER CA C 32 61.282 61.282 62.560 -1.278 25442 3666 1 8 . 1 1 32 32 SER CB C 32 64.055 64.055 63.051 1.004 25442 3667 1 8 . 1 1 32 32 SER H H 32 8.024 8.024 8.293 -0.269 25442 3668 1 8 . 1 1 33 33 GLU N N 33 121.203 121.203 120.699 0.504 25442 3669 1 8 . 1 1 33 33 GLU HA H 33 2.246 2.246 4.001 -1.755 25442 3670 1 8 . 1 1 33 33 GLU CA C 33 59.596 59.596 58.089 1.507 25442 3671 1 8 . 1 1 33 33 GLU H H 33 6.935 6.935 8.183 -1.248 25442 3672 1 8 . 1 1 34 34 TYR N N 34 108.039 108.039 119.559 -11.520 25442 3673 1 8 . 1 1 34 34 TYR HA H 34 4.953 4.953 4.356 0.597 25442 3674 1 8 . 1 1 34 34 TYR CA C 34 57.226 57.226 56.940 0.286 25442 3675 1 8 . 1 1 34 34 TYR CB C 34 38.821 38.821 36.188 2.633 25442 3676 1 8 . 1 1 34 34 TYR H H 34 6.254 6.254 6.989 -0.735 25442 3677 1 8 . 1 1 35 35 GLY N N 35 103.601 103.601 107.525 -3.924 25442 3678 1 8 . 1 1 35 35 GLY CA C 35 44.594 44.594 44.550 0.044 25442 3679 1 8 . 1 1 35 35 GLY H H 35 7.247 7.247 7.398 -0.151 25442 3680 1 8 . 1 1 36 36 VAL N N 36 120.482 120.482 123.495 -3.013 25442 3681 1 8 . 1 1 36 36 VAL HA H 36 4.537 4.537 4.355 0.182 25442 3682 1 8 . 1 1 36 36 VAL CA C 36 59.942 59.942 60.184 -0.242 25442 3683 1 8 . 1 1 36 36 VAL CB C 36 33.989 33.989 32.742 1.246 25442 3684 1 8 . 1 1 36 36 VAL H H 36 8.549 8.549 7.872 0.677 25442 3685 1 8 . 1 1 37 37 PRO HA H 37 4.543 4.543 4.685 -0.142 25442 3686 1 8 . 1 1 37 37 PRO CA C 37 62.043 62.043 62.126 -0.083 25442 3687 1 8 . 1 1 37 37 PRO CB C 37 31.531 31.531 32.538 -1.007 25442 3688 1 8 . 1 1 38 38 VAL N N 38 118.566 118.566 114.737 3.829 25442 3689 1 8 . 1 1 38 38 VAL HA H 38 4.439 4.439 4.317 0.122 25442 3690 1 8 . 1 1 38 38 VAL CA C 38 61.064 61.064 62.125 -1.061 25442 3691 1 8 . 1 1 38 38 VAL CB C 38 32.842 32.842 32.302 0.540 25442 3692 1 8 . 1 1 38 38 VAL H H 38 9.099 9.099 8.051 1.048 25442 3693 1 8 . 1 1 39 39 ASP N N 39 118.912 118.912 119.620 -0.708 25442 3694 1 8 . 1 1 39 39 ASP HA H 39 4.920 4.920 4.860 0.060 25442 3695 1 8 . 1 1 39 39 ASP CA C 39 54.860 54.860 54.149 0.711 25442 3696 1 8 . 1 1 39 39 ASP CB C 39 44.441 44.441 44.700 -0.259 25442 3697 1 8 . 1 1 39 39 ASP H H 39 7.300 7.300 7.490 -0.190 25442 3698 1 8 . 1 1 40 40 VAL N N 40 123.365 123.365 121.117 2.248 25442 3699 1 8 . 1 1 40 40 VAL HA H 40 4.759 4.759 4.381 0.378 25442 3700 1 8 . 1 1 40 40 VAL CA C 40 61.259 61.259 61.306 -0.047 25442 3701 1 8 . 1 1 40 40 VAL CB C 40 34.464 34.464 34.225 0.239 25442 3702 1 8 . 1 1 40 40 VAL H H 40 8.052 8.052 8.502 -0.450 25442 3703 1 8 . 1 1 41 41 ILE N N 41 127.951 127.951 127.887 0.064 25442 3704 1 8 . 1 1 41 41 ILE HA H 41 4.361 4.361 4.409 -0.048 25442 3705 1 8 . 1 1 41 41 ILE CA C 41 60.204 60.204 60.755 -0.551 25442 3706 1 8 . 1 1 41 41 ILE CB C 41 41.220 41.220 39.538 1.682 25442 3707 1 8 . 1 1 41 41 ILE H H 41 9.031 9.031 8.573 0.458 25442 3708 1 8 . 1 1 42 42 LEU N N 42 130.034 130.034 124.217 5.817 25442 3709 1 8 . 1 1 42 42 LEU HA H 42 4.415 4.415 4.699 -0.284 25442 3710 1 8 . 1 1 42 42 LEU CA C 42 53.832 53.832 53.426 0.406 25442 3711 1 8 . 1 1 42 42 LEU CB C 42 44.353 44.353 42.822 1.531 25442 3712 1 8 . 1 1 42 42 LEU H H 42 8.935 8.935 8.271 0.664 25442 3713 1 8 . 1 1 43 43 SER N N 43 121.977 121.977 118.193 3.784 25442 3714 1 8 . 1 1 43 43 SER HA H 43 4.092 4.092 4.340 -0.248 25442 3715 1 8 . 1 1 43 43 SER CA C 43 59.298 59.298 58.573 0.725 25442 3716 1 8 . 1 1 43 43 SER CB C 43 62.879 62.879 64.042 -1.163 25442 3717 1 8 . 1 1 43 43 SER H H 43 8.088 8.088 8.339 -0.251 25442 3718 1 8 . 1 1 44 44 ARG N N 44 125.852 125.852 120.990 4.862 25442 3719 1 8 . 1 1 44 44 ARG HA H 44 4.906 4.906 4.424 0.482 25442 3720 1 8 . 1 1 44 44 ARG CA C 44 54.363 54.363 54.868 -0.505 25442 3721 1 8 . 1 1 44 44 ARG CB C 44 34.095 34.095 33.175 0.920 25442 3722 1 8 . 1 1 44 44 ARG H H 44 8.081 8.081 8.097 -0.016 25442 3723 1 8 . 1 1 45 45 ASP N N 45 123.150 123.150 122.366 0.784 25442 3724 1 8 . 1 1 45 45 ASP HA H 45 4.425 4.425 4.824 -0.399 25442 3725 1 8 . 1 1 45 45 ASP CA C 45 54.728 54.728 53.425 1.303 25442 3726 1 8 . 1 1 45 45 ASP CB C 45 43.318 43.318 42.488 0.830 25442 3727 1 8 . 1 1 45 45 ASP H H 45 8.594 8.594 7.998 0.596 25442 3728 1 8 . 1 1 46 46 GLU N N 46 127.786 127.786 123.660 4.126 25442 3729 1 8 . 1 1 46 46 GLU HA H 46 4.048 4.048 4.088 -0.040 25442 3730 1 8 . 1 1 46 46 GLU CA C 46 59.018 59.018 58.665 0.353 25442 3731 1 8 . 1 1 46 46 GLU CB C 46 29.870 29.870 29.686 0.184 25442 3732 1 8 . 1 1 46 46 GLU H H 46 9.250 9.250 8.902 0.348 25442 3733 1 8 . 1 1 47 47 ASN N N 47 116.105 116.105 118.174 -2.069 25442 3734 1 8 . 1 1 47 47 ASN HA H 47 4.825 4.825 4.527 0.298 25442 3735 1 8 . 1 1 47 47 ASN CA C 47 55.321 55.321 55.432 -0.111 25442 3736 1 8 . 1 1 47 47 ASN CB C 47 39.927 39.927 38.500 1.427 25442 3737 1 8 . 1 1 47 47 ASN H H 47 8.857 8.857 8.585 0.272 25442 3738 1 8 . 1 1 48 48 THR N N 48 108.395 108.395 107.889 0.506 25442 3739 1 8 . 1 1 48 48 THR HA H 48 4.461 4.461 4.474 -0.013 25442 3740 1 8 . 1 1 48 48 THR CA C 48 61.883 61.883 62.172 -0.289 25442 3741 1 8 . 1 1 48 48 THR CB C 48 71.194 71.194 70.156 1.038 25442 3742 1 8 . 1 1 48 48 THR H H 48 8.539 8.539 7.719 0.820 25442 3743 1 8 . 1 1 49 49 GLY N N 49 110.910 110.910 112.447 -1.537 25442 3744 1 8 . 1 1 49 49 GLY CA C 49 45.706 45.706 45.042 0.664 25442 3745 1 8 . 1 1 49 49 GLY H H 49 8.293 8.293 8.659 -0.366 25442 3746 1 8 . 1 1 50 50 GLU N N 50 120.328 120.328 116.685 3.643 25442 3747 1 8 . 1 1 50 50 GLU HA H 50 4.162 4.162 4.663 -0.501 25442 3748 1 8 . 1 1 50 50 GLU CA C 50 56.540 56.540 54.773 1.767 25442 3749 1 8 . 1 1 50 50 GLU CB C 50 30.948 30.948 32.876 -1.928 25442 3750 1 8 . 1 1 50 50 GLU H H 50 7.854 7.854 8.084 -0.230 25442 3751 1 8 . 1 1 51 51 SER N N 51 117.235 117.235 116.180 1.055 25442 3752 1 8 . 1 1 51 51 SER HA H 51 4.391 4.391 4.592 -0.201 25442 3753 1 8 . 1 1 51 51 SER CA C 51 58.361 58.361 57.193 1.168 25442 3754 1 8 . 1 1 51 51 SER CB C 51 64.438 64.438 63.993 0.445 25442 3755 1 8 . 1 1 51 51 SER H H 51 8.950 8.950 8.471 0.479 25442 3756 1 8 . 1 1 52 52 GLN N N 52 122.996 122.996 119.214 3.782 25442 3757 1 8 . 1 1 52 52 GLN HA H 52 4.516 4.516 4.414 0.102 25442 3758 1 8 . 1 1 52 52 GLN CA C 52 55.406 55.406 56.289 -0.883 25442 3759 1 8 . 1 1 52 52 GLN CB C 52 29.624 29.624 29.045 0.579 25442 3760 1 8 . 1 1 52 52 GLN H H 52 8.929 8.929 8.674 0.255 25442 3761 1 8 . 1 1 53 53 GLY N N 53 106.139 106.139 107.277 -1.138 25442 3762 1 8 . 1 1 53 53 GLY CA C 53 46.434 46.434 44.920 1.514 25442 3763 1 8 . 1 1 53 53 GLY H H 53 8.876 8.876 7.868 1.008 25442 3764 1 8 . 1 1 54 54 PHE N N 54 112.294 112.294 116.216 -3.922 25442 3765 1 8 . 1 1 54 54 PHE HA H 54 5.436 5.436 5.615 -0.179 25442 3766 1 8 . 1 1 54 54 PHE CA C 54 55.464 55.464 54.599 0.865 25442 3767 1 8 . 1 1 54 54 PHE CB C 54 41.207 41.207 41.736 -0.529 25442 3768 1 8 . 1 1 54 54 PHE H H 54 6.938 6.938 6.983 -0.045 25442 3769 1 8 . 1 1 55 55 ALA N N 55 121.935 121.935 120.780 1.155 25442 3770 1 8 . 1 1 55 55 ALA HA H 55 5.051 5.051 4.098 0.953 25442 3771 1 8 . 1 1 55 55 ALA CA C 55 49.517 49.517 51.514 -1.996 25442 3772 1 8 . 1 1 55 55 ALA CB C 55 24.966 24.966 21.790 3.176 25442 3773 1 8 . 1 1 55 55 ALA H H 55 9.098 9.098 8.056 1.042 25442 3774 1 8 . 1 1 56 56 TYR N N 56 114.799 114.799 117.571 -2.772 25442 3775 1 8 . 1 1 56 56 TYR HA H 56 5.652 5.652 5.344 0.308 25442 3776 1 8 . 1 1 56 56 TYR CA C 56 56.128 56.128 56.189 -0.061 25442 3777 1 8 . 1 1 56 56 TYR CB C 56 42.405 42.405 41.485 0.920 25442 3778 1 8 . 1 1 56 56 TYR H H 56 8.572 8.572 8.725 -0.153 25442 3779 1 8 . 1 1 57 57 LEU N N 57 123.129 123.129 120.732 2.397 25442 3780 1 8 . 1 1 57 57 LEU HA H 57 5.100 5.100 4.713 0.387 25442 3781 1 8 . 1 1 57 57 LEU CA C 57 54.552 54.552 53.879 0.673 25442 3782 1 8 . 1 1 57 57 LEU H H 57 8.600 8.600 8.531 0.069 25442 3783 1 8 . 1 1 58 58 LYS N N 58 126.556 126.556 122.959 3.597 25442 3784 1 8 . 1 1 58 58 LYS HA H 58 4.553 4.553 4.546 0.007 25442 3785 1 8 . 1 1 58 58 LYS CA C 58 54.518 54.518 55.006 -0.488 25442 3786 1 8 . 1 1 58 58 LYS CB C 58 36.254 36.254 34.998 1.256 25442 3787 1 8 . 1 1 58 58 LYS H H 58 8.389 8.389 8.146 0.243 25442 3788 1 8 . 1 1 59 59 TYR N N 59 126.761 126.761 126.650 0.111 25442 3789 1 8 . 1 1 59 59 TYR HA H 59 5.061 5.061 4.574 0.487 25442 3790 1 8 . 1 1 59 59 TYR CA C 59 58.271 58.271 57.173 1.098 25442 3791 1 8 . 1 1 59 59 TYR H H 59 9.035 9.035 8.673 0.362 25442 3792 1 8 . 1 1 60 60 GLU N N 60 120.097 120.097 118.886 1.211 25442 3793 1 8 . 1 1 60 60 GLU HA H 60 3.890 3.890 3.991 -0.101 25442 3794 1 8 . 1 1 60 60 GLU CA C 60 59.244 59.244 57.359 1.885 25442 3795 1 8 . 1 1 60 60 GLU CB C 60 31.145 31.145 29.771 1.374 25442 3796 1 8 . 1 1 60 60 GLU H H 60 8.796 8.796 6.801 1.995 25442 3797 1 8 . 1 1 61 61 ASP N N 61 117.697 117.697 119.319 -1.622 25442 3798 1 8 . 1 1 61 61 ASP HA H 61 4.842 4.842 4.880 -0.038 25442 3799 1 8 . 1 1 61 61 ASP CA C 61 51.550 51.550 53.282 -1.732 25442 3800 1 8 . 1 1 61 61 ASP CB C 61 43.258 43.258 41.787 1.471 25442 3801 1 8 . 1 1 61 61 ASP H H 61 8.006 8.006 8.385 -0.379 25442 3802 1 8 . 1 1 62 62 GLN N N 62 126.321 126.321 124.774 1.547 25442 3803 1 8 . 1 1 62 62 GLN HA H 62 4.223 4.223 3.943 0.280 25442 3804 1 8 . 1 1 62 62 GLN CA C 62 58.637 58.637 59.246 -0.609 25442 3805 1 8 . 1 1 62 62 GLN CB C 62 27.994 27.994 29.128 -1.134 25442 3806 1 8 . 1 1 62 62 GLN H H 62 9.053 9.053 8.959 0.094 25442 3807 1 8 . 1 1 63 63 ARG N N 63 121.086 121.086 119.302 1.784 25442 3808 1 8 . 1 1 63 63 ARG HA H 63 3.654 3.654 4.080 -0.426 25442 3809 1 8 . 1 1 63 63 ARG CA C 63 58.971 58.971 59.020 -0.049 25442 3810 1 8 . 1 1 63 63 ARG H H 63 8.960 8.960 8.452 0.508 25442 3811 1 8 . 1 1 64 64 SER N N 64 114.891 114.891 113.535 1.356 25442 3812 1 8 . 1 1 64 64 SER HA H 64 3.704 3.704 4.155 -0.451 25442 3813 1 8 . 1 1 64 64 SER CA C 64 63.589 63.589 61.483 2.106 25442 3814 1 8 . 1 1 64 64 SER H H 64 8.143 8.143 8.388 -0.245 25442 3815 1 8 . 1 1 65 65 THR N N 65 111.019 111.019 116.405 -5.386 25442 3816 1 8 . 1 1 65 65 THR HA H 65 3.765 3.765 4.079 -0.314 25442 3817 1 8 . 1 1 65 65 THR CA C 65 66.198 66.198 65.212 0.986 25442 3818 1 8 . 1 1 65 65 THR CB C 65 68.461 68.461 68.277 0.184 25442 3819 1 8 . 1 1 65 65 THR H H 65 7.633 7.633 7.729 -0.096 25442 3820 1 8 . 1 1 66 66 ILE N N 66 123.242 123.242 121.301 1.941 25442 3821 1 8 . 1 1 66 66 ILE HA H 66 3.673 3.673 3.800 -0.127 25442 3822 1 8 . 1 1 66 66 ILE CA C 66 64.506 64.506 65.007 -0.501 25442 3823 1 8 . 1 1 66 66 ILE CB C 66 38.668 38.668 37.610 1.058 25442 3824 1 8 . 1 1 66 66 ILE H H 66 6.648 6.648 7.653 -1.005 25442 3825 1 8 . 1 1 67 67 LEU N N 67 113.375 113.375 120.112 -6.737 25442 3826 1 8 . 1 1 67 67 LEU HA H 67 3.627 3.627 3.885 -0.258 25442 3827 1 8 . 1 1 67 67 LEU CA C 67 57.678 57.678 57.616 0.062 25442 3828 1 8 . 1 1 67 67 LEU CB C 67 41.866 41.866 41.565 0.301 25442 3829 1 8 . 1 1 67 67 LEU H H 67 6.899 6.899 7.490 -0.591 25442 3830 1 8 . 1 1 68 68 ALA N N 68 120.327 120.327 120.959 -0.632 25442 3831 1 8 . 1 1 68 68 ALA HA H 68 3.406 3.406 3.538 -0.132 25442 3832 1 8 . 1 1 68 68 ALA CA C 68 55.643 55.643 54.966 0.677 25442 3833 1 8 . 1 1 68 68 ALA CB C 68 19.395 19.395 18.396 0.999 25442 3834 1 8 . 1 1 68 68 ALA H H 68 8.201 8.201 7.494 0.707 25442 3835 1 8 . 1 1 69 69 VAL N N 69 118.977 118.977 115.815 3.162 25442 3836 1 8 . 1 1 69 69 VAL HA H 69 3.221 3.221 3.561 -0.340 25442 3837 1 8 . 1 1 69 69 VAL CA C 69 67.039 67.039 66.591 0.448 25442 3838 1 8 . 1 1 69 69 VAL CB C 69 31.896 31.896 31.550 0.346 25442 3839 1 8 . 1 1 69 69 VAL H H 69 8.235 8.235 7.824 0.411 25442 3840 1 8 . 1 1 70 70 ASP N N 70 116.894 116.894 119.301 -2.407 25442 3841 1 8 . 1 1 70 70 ASP HA H 70 3.941 3.941 4.371 -0.430 25442 3842 1 8 . 1 1 70 70 ASP CA C 70 57.576 57.576 56.457 1.119 25442 3843 1 8 . 1 1 70 70 ASP CB C 70 39.037 39.037 40.560 -1.523 25442 3844 1 8 . 1 1 70 70 ASP H H 70 8.152 8.152 8.163 -0.011 25442 3845 1 8 . 1 1 71 71 ASN N N 71 110.936 110.936 116.426 -5.490 25442 3846 1 8 . 1 1 71 71 ASN HA H 71 5.009 5.009 4.528 0.481 25442 3847 1 8 . 1 1 71 71 ASN CA C 71 55.710 55.710 54.029 1.681 25442 3848 1 8 . 1 1 71 71 ASN CB C 71 42.091 42.091 39.885 2.206 25442 3849 1 8 . 1 1 71 71 ASN H H 71 7.562 7.562 7.275 0.287 25442 3850 1 8 . 1 1 72 72 LEU N N 72 116.460 116.460 119.362 -2.902 25442 3851 1 8 . 1 1 72 72 LEU HA H 72 4.686 4.686 4.286 0.400 25442 3852 1 8 . 1 1 72 72 LEU CA C 72 54.411 54.411 55.445 -1.034 25442 3853 1 8 . 1 1 72 72 LEU CB C 72 42.477 42.477 41.153 1.324 25442 3854 1 8 . 1 1 72 72 LEU H H 72 8.406 8.406 8.260 0.146 25442 3855 1 8 . 1 1 73 73 ASN N N 73 118.618 118.618 118.508 0.110 25442 3856 1 8 . 1 1 73 73 ASN HA H 73 4.419 4.419 4.553 -0.134 25442 3857 1 8 . 1 1 73 73 ASN CA C 73 56.716 56.716 54.237 2.479 25442 3858 1 8 . 1 1 73 73 ASN CB C 73 39.452 39.452 38.054 1.397 25442 3859 1 8 . 1 1 73 73 ASN H H 73 6.956 6.956 7.691 -0.735 25442 3860 1 8 . 1 1 74 74 GLY N N 74 116.095 116.095 114.319 1.776 25442 3861 1 8 . 1 1 74 74 GLY CA C 74 45.912 45.912 45.303 0.609 25442 3862 1 8 . 1 1 74 74 GLY H H 74 9.379 9.379 8.415 0.964 25442 3863 1 8 . 1 1 75 75 PHE N N 75 123.354 123.354 122.712 0.642 25442 3864 1 8 . 1 1 75 75 PHE HA H 75 4.311 4.311 4.542 -0.231 25442 3865 1 8 . 1 1 75 75 PHE CA C 75 58.979 58.979 56.781 2.198 25442 3866 1 8 . 1 1 75 75 PHE CB C 75 41.709 41.709 40.106 1.603 25442 3867 1 8 . 1 1 75 75 PHE H H 75 8.211 8.211 7.486 0.725 25442 3868 1 8 . 1 1 76 76 LYS N N 76 127.267 127.267 127.391 -0.124 25442 3869 1 8 . 1 1 76 76 LYS HA H 76 4.598 4.598 4.352 0.246 25442 3870 1 8 . 1 1 76 76 LYS CA C 76 56.529 56.529 55.938 0.591 25442 3871 1 8 . 1 1 76 76 LYS CB C 76 33.073 33.073 32.393 0.680 25442 3872 1 8 . 1 1 76 76 LYS H H 76 7.648 7.648 8.152 -0.504 25442 3873 1 8 . 1 1 77 77 ILE N N 77 121.576 121.576 125.212 -3.636 25442 3874 1 8 . 1 1 77 77 ILE HA H 77 4.406 4.406 4.035 0.371 25442 3875 1 8 . 1 1 77 77 ILE CA C 77 60.214 60.214 60.986 -0.772 25442 3876 1 8 . 1 1 77 77 ILE CB C 77 40.048 40.048 39.893 0.155 25442 3877 1 8 . 1 1 77 77 ILE H H 77 8.100 8.100 8.976 -0.876 25442 3878 1 8 . 1 1 78 78 GLY CA C 78 47.118 47.118 45.215 1.903 25442 3879 1 8 . 1 1 79 79 GLY CA C 79 45.171 45.171 44.806 0.365 25442 3880 1 8 . 1 1 80 80 ARG N N 80 119.377 119.377 121.642 -2.265 25442 3881 1 8 . 1 1 80 80 ARG HA H 80 4.650 4.650 4.632 0.018 25442 3882 1 8 . 1 1 80 80 ARG CA C 80 54.849 54.849 54.023 0.827 25442 3883 1 8 . 1 1 80 80 ARG CB C 80 33.411 33.411 32.643 0.768 25442 3884 1 8 . 1 1 80 80 ARG H H 80 7.379 7.379 7.477 -0.098 25442 3885 1 8 . 1 1 81 81 ALA N N 81 126.782 126.782 124.902 1.880 25442 3886 1 8 . 1 1 81 81 ALA HA H 81 4.137 4.137 5.085 -0.948 25442 3887 1 8 . 1 1 81 81 ALA CA C 81 51.454 51.454 50.849 0.605 25442 3888 1 8 . 1 1 81 81 ALA CB C 81 19.131 19.131 20.180 -1.048 25442 3889 1 8 . 1 1 81 81 ALA H H 81 8.734 8.734 8.312 0.422 25442 3890 1 8 . 1 1 82 82 LEU N N 82 125.769 125.769 122.904 2.865 25442 3891 1 8 . 1 1 82 82 LEU HA H 82 4.390 4.390 4.410 -0.020 25442 3892 1 8 . 1 1 82 82 LEU CA C 82 56.196 56.196 55.148 1.048 25442 3893 1 8 . 1 1 82 82 LEU CB C 82 43.362 43.362 43.965 -0.603 25442 3894 1 8 . 1 1 82 82 LEU H H 82 8.736 8.736 8.052 0.684 25442 3895 1 8 . 1 1 83 83 LYS N N 83 123.851 123.851 123.968 -0.117 25442 3896 1 8 . 1 1 83 83 LYS HA H 83 5.005 5.005 4.756 0.249 25442 3897 1 8 . 1 1 83 83 LYS CA C 83 54.790 54.790 54.865 -0.075 25442 3898 1 8 . 1 1 83 83 LYS CB C 83 34.212 34.212 34.121 0.091 25442 3899 1 8 . 1 1 83 83 LYS H H 83 7.838 7.838 8.262 -0.424 25442 3900 1 8 . 1 1 84 84 ILE N N 84 125.629 125.629 126.043 -0.414 25442 3901 1 8 . 1 1 84 84 ILE HA H 84 5.576 5.576 5.293 0.283 25442 3902 1 8 . 1 1 84 84 ILE CA C 84 58.513 58.513 58.928 -0.415 25442 3903 1 8 . 1 1 84 84 ILE CB C 84 40.310 40.310 38.301 2.009 25442 3904 1 8 . 1 1 84 84 ILE H H 84 8.727 8.727 8.503 0.224 25442 3905 1 8 . 1 1 85 85 ASP N N 85 124.427 124.427 125.755 -1.328 25442 3906 1 8 . 1 1 85 85 ASP HA H 85 5.094 5.094 4.931 0.163 25442 3907 1 8 . 1 1 85 85 ASP CA C 85 52.697 52.697 52.990 -0.293 25442 3908 1 8 . 1 1 85 85 ASP CB C 85 45.574 45.574 44.159 1.415 25442 3909 1 8 . 1 1 85 85 ASP H H 85 8.960 8.960 8.589 0.371 25442 3910 1 8 . 1 1 86 86 HIS N N 86 121.356 121.356 121.395 -0.039 25442 3911 1 8 . 1 1 86 86 HIS HA H 86 4.635 4.635 4.827 -0.192 25442 3912 1 8 . 1 1 86 86 HIS CA C 86 58.158 58.158 57.114 1.044 25442 3913 1 8 . 1 1 86 86 HIS CB C 86 31.368 31.368 31.061 0.307 25442 3914 1 8 . 1 1 86 86 HIS H H 86 8.783 8.783 8.778 0.005 25442 3915 1 8 . 1 1 87 87 THR N N 87 114.331 114.331 116.320 -1.989 25442 3916 1 8 . 1 1 87 87 THR HA H 87 4.691 4.691 4.602 0.089 25442 3917 1 8 . 1 1 87 87 THR CA C 87 60.890 60.890 60.626 0.264 25442 3918 1 8 . 1 1 87 87 THR CB C 87 70.215 70.215 70.124 0.091 25442 3919 1 8 . 1 1 87 87 THR H H 87 8.032 8.032 8.502 -0.470 25442 3920 1 8 . 1 1 88 88 PHE N N 88 118.673 118.673 125.095 -6.422 25442 3921 1 8 . 1 1 88 88 PHE HA H 88 4.305 4.305 4.728 -0.423 25442 3922 1 8 . 1 1 88 88 PHE CA C 88 58.926 58.926 56.787 2.139 25442 3923 1 8 . 1 1 88 88 PHE CB C 88 39.673 39.673 38.848 0.825 25442 3924 1 8 . 1 1 88 88 PHE H H 88 8.233 8.233 8.893 -0.660 25442 3925 1 8 . 1 1 89 89 TYR N N 89 124.182 124.182 121.135 3.047 25442 3926 1 8 . 1 1 89 89 TYR HA H 89 4.193 4.193 4.134 0.059 25442 3927 1 8 . 1 1 89 89 TYR CA C 89 58.510 58.510 58.131 0.379 25442 3928 1 8 . 1 1 89 89 TYR CB C 89 39.993 39.993 38.454 1.539 25442 3929 1 8 . 1 1 89 89 TYR H H 89 8.246 8.246 7.864 0.382 25442 3930 1 8 . 1 1 90 90 ARG N N 90 125.111 125.111 127.757 -2.646 25442 3931 1 8 . 1 1 90 90 ARG HA H 90 4.219 4.219 4.354 -0.135 25442 3932 1 8 . 1 1 90 90 ARG CA C 90 52.511 52.511 53.846 -1.335 25442 3933 1 8 . 1 1 90 90 ARG CB C 90 31.298 31.298 30.129 1.169 25442 3934 1 8 . 1 1 90 90 ARG H H 90 7.223 7.223 7.881 -0.658 25442 3935 1 8 . 1 1 91 91 PRO HA H 91 4.028 4.028 4.446 -0.418 25442 3936 1 8 . 1 1 91 91 PRO CA C 91 62.759 62.759 62.520 0.239 25442 3937 1 8 . 1 1 91 91 PRO CB C 91 32.074 32.074 32.631 -0.557 25442 3938 1 8 . 1 1 94 94 SER HA H 94 4.466 4.466 4.700 -0.234 25442 3939 1 8 . 1 1 94 94 SER CA C 94 58.273 58.273 57.980 0.292 25442 3940 1 8 . 1 1 94 94 SER CB C 94 63.656 63.656 63.649 0.007 25442 3941 1 8 . 1 1 95 95 LEU HA H 95 4.369 4.369 4.226 0.143 25442 3942 1 8 . 1 1 95 95 LEU CA C 95 55.482 55.482 56.852 -1.370 25442 3943 1 8 . 1 1 95 95 LEU CB C 95 42.350 42.350 42.565 -0.215 25442 3944 1 8 . 1 1 97 97 LYS HA H 97 4.197 4.197 4.513 -0.316 25442 3945 1 8 . 1 1 97 97 LYS CA C 97 56.923 56.923 56.288 0.635 25442 3946 1 8 . 1 1 97 97 LYS CB C 97 32.936 32.936 34.663 -1.727 25442 3947 1 8 . 1 1 98 98 TYR N N 98 120.486 120.486 121.160 -0.674 25442 3948 1 8 . 1 1 98 98 TYR HA H 98 4.477 4.477 4.924 -0.447 25442 3949 1 8 . 1 1 98 98 TYR CA C 98 58.249 58.249 57.675 0.575 25442 3950 1 8 . 1 1 98 98 TYR CB C 98 38.659 38.659 39.745 -1.086 25442 3951 1 8 . 1 1 98 98 TYR H H 98 7.979 7.979 7.933 0.046 25442 3952 1 8 . 1 1 99 99 TYR N N 99 120.784 120.784 121.462 -0.678 25442 3953 1 8 . 1 1 99 99 TYR HA H 99 4.455 4.455 4.736 -0.281 25442 3954 1 8 . 1 1 99 99 TYR CA C 99 58.281 58.281 59.225 -0.944 25442 3955 1 8 . 1 1 99 99 TYR CB C 99 38.902 38.902 40.053 -1.151 25442 3956 1 8 . 1 1 99 99 TYR H H 99 7.918 7.918 8.629 -0.711 25442 3957 1 8 . 1 1 100 100 GLU N N 100 122.033 122.033 120.856 1.177 25442 3958 1 8 . 1 1 100 100 GLU HA H 100 4.171 4.171 4.285 -0.114 25442 3959 1 8 . 1 1 100 100 GLU CA C 100 56.766 56.766 57.364 -0.598 25442 3960 1 8 . 1 1 100 100 GLU H H 100 8.055 8.055 8.886 -0.831 25442 3961 1 8 . 1 1 101 101 ALA N N 101 124.629 124.629 118.999 5.630 25442 3962 1 8 . 1 1 101 101 ALA HA H 101 4.283 4.283 4.403 -0.120 25442 3963 1 8 . 1 1 101 101 ALA CA C 101 52.795 52.795 52.267 0.528 25442 3964 1 8 . 1 1 101 101 ALA CB C 101 19.150 19.150 19.320 -0.170 25442 3965 1 8 . 1 1 101 101 ALA H H 101 8.040 8.040 7.767 0.273 25442 3966 1 8 . 1 1 102 102 VAL N N 102 119.031 119.031 119.171 -0.140 25442 3967 1 8 . 1 1 102 102 VAL HA H 102 4.039 4.039 4.082 -0.043 25442 3968 1 8 . 1 1 102 102 VAL CA C 102 62.675 62.675 63.715 -1.040 25442 3969 1 8 . 1 1 102 102 VAL CB C 102 32.610 32.610 32.386 0.224 25442 3970 1 8 . 1 1 102 102 VAL H H 102 7.960 7.960 7.595 0.365 25442 3971 1 8 . 1 1 103 103 LYS N N 103 124.562 124.562 121.200 3.362 25442 3972 1 8 . 1 1 103 103 LYS HA H 103 4.258 4.258 3.979 0.279 25442 3973 1 8 . 1 1 103 103 LYS CA C 103 56.797 56.797 59.440 -2.643 25442 3974 1 8 . 1 1 103 103 LYS CB C 103 33.012 33.012 32.244 0.768 25442 3975 1 8 . 1 1 103 103 LYS H H 103 8.207 8.207 8.204 0.003 25442 3976 1 8 . 1 1 104 104 GLU N N 104 121.722 121.722 116.873 4.849 25442 3977 1 8 . 1 1 104 104 GLU HA H 104 4.263 4.263 3.971 0.292 25442 3978 1 8 . 1 1 104 104 GLU CA C 104 57.034 57.034 59.550 -2.516 25442 3979 1 8 . 1 1 104 104 GLU CB C 104 30.351 30.351 29.447 0.904 25442 3980 1 8 . 1 1 104 104 GLU H H 104 8.325 8.325 8.486 -0.161 25442 3981 1 8 . 1 1 105 105 GLU N N 105 121.479 121.479 118.818 2.661 25442 3982 1 8 . 1 1 105 105 GLU HA H 105 4.264 4.264 4.133 0.131 25442 3983 1 8 . 1 1 105 105 GLU CA C 105 56.802 56.802 58.121 -1.319 25442 3984 1 8 . 1 1 105 105 GLU CB C 105 30.351 30.351 29.669 0.682 25442 3985 1 8 . 1 1 105 105 GLU H H 105 8.288 8.288 8.138 0.150 25442 3986 1 8 . 1 1 106 106 LEU N N 106 122.549 122.549 120.676 1.873 25442 3987 1 8 . 1 1 106 106 LEU HA H 106 4.316 4.316 4.255 0.061 25442 3988 1 8 . 1 1 106 106 LEU CA C 106 55.545 55.545 55.042 0.503 25442 3989 1 8 . 1 1 106 106 LEU CB C 106 42.538 42.538 40.955 1.583 25442 3990 1 8 . 1 1 106 106 LEU H H 106 8.154 8.154 7.559 0.595 25442 3991 1 8 . 1 1 107 107 ASP N N 107 120.656 120.656 122.390 -1.734 25442 3992 1 8 . 1 1 107 107 ASP HA H 107 4.587 4.587 4.688 -0.101 25442 3993 1 8 . 1 1 107 107 ASP CA C 107 54.715 54.715 54.192 0.523 25442 3994 1 8 . 1 1 107 107 ASP CB C 107 41.125 41.125 41.630 -0.505 25442 3995 1 8 . 1 1 107 107 ASP H H 107 8.273 8.273 8.176 0.097 25442 3996 1 8 . 1 1 108 108 ARG N N 108 120.710 120.710 118.876 1.834 25442 3997 1 8 . 1 1 108 108 ARG HA H 108 4.272 4.272 3.873 0.399 25442 3998 1 8 . 1 1 108 108 ARG CA C 108 56.778 56.778 58.901 -2.123 25442 3999 1 8 . 1 1 108 108 ARG CB C 108 30.835 30.835 28.729 2.107 25442 4000 1 8 . 1 1 108 108 ARG H H 108 8.041 8.041 8.523 -0.482 25442 4001 1 8 . 1 1 109 109 ASP N N 109 120.647 120.647 119.940 0.707 25442 4002 1 8 . 1 1 109 109 ASP CA C 109 54.862 54.862 55.752 -0.890 25442 4003 1 8 . 1 1 109 109 ASP H H 109 8.331 8.331 8.415 -0.084 25442 4004 1 8 . 1 1 110 110 ILE N N 110 120.220 120.220 122.295 -2.075 25442 4005 1 8 . 1 1 110 110 ILE HA H 110 4.140 4.140 4.088 0.052 25442 4006 1 8 . 1 1 110 110 ILE CA C 110 61.760 61.760 61.142 0.618 25442 4007 1 8 . 1 1 110 110 ILE CB C 110 38.643 38.643 37.059 1.583 25442 4008 1 8 . 1 1 110 110 ILE H H 110 7.910 7.910 7.594 0.316 25442 4009 1 8 . 1 1 111 111 VAL N N 111 122.698 122.698 125.942 -3.244 25442 4010 1 8 . 1 1 111 111 VAL HA H 111 4.095 4.095 4.384 -0.289 25442 4011 1 8 . 1 1 111 111 VAL CA C 111 62.982 62.982 60.731 2.251 25442 4012 1 8 . 1 1 111 111 VAL CB C 111 32.438 32.438 35.697 -3.259 25442 4013 1 8 . 1 1 111 111 VAL H H 111 8.018 8.018 8.069 -0.051 25442 4014 1 8 . 1 1 112 112 SER HA H 112 4.439 4.439 4.874 -0.435 25442 4015 1 8 . 1 1 112 112 SER CA C 112 58.581 58.581 57.717 0.864 25442 4016 1 8 . 1 1 112 112 SER CB C 112 63.717 63.717 62.739 0.978 25442 4017 1 8 . 1 1 114 114 ASN HA H 114 4.690 4.690 4.828 -0.138 25442 4018 1 8 . 1 1 114 114 ASN CA C 114 53.462 53.462 53.319 0.143 25442 4019 1 8 . 1 1 114 114 ASN CB C 114 39.073 39.073 39.371 -0.298 25442 4020 1 8 . 1 1 115 115 ASN HA H 115 4.690 4.690 4.847 -0.157 25442 4021 1 8 . 1 1 115 115 ASN CA C 115 53.476 53.476 52.923 0.553 25442 4022 1 8 . 1 1 115 115 ASN CB C 115 39.073 39.073 37.011 2.062 25442 4023 1 8 . 1 1 116 116 ALA N N 116 123.691 123.691 123.604 0.087 25442 4024 1 8 . 1 1 116 116 ALA HA H 116 4.355 4.355 4.140 0.215 25442 4025 1 8 . 1 1 116 116 ALA CA C 116 52.748 52.748 53.416 -0.668 25442 4026 1 8 . 1 1 116 116 ALA CB C 116 19.559 19.559 19.328 0.231 25442 4027 1 8 . 1 1 116 116 ALA H H 116 8.144 8.144 7.747 0.397 25442 4028 1 8 . 1 1 117 117 GLU N N 117 120.174 120.174 119.057 1.117 25442 4029 1 8 . 1 1 117 117 GLU HA H 117 4.284 4.284 4.219 0.065 25442 4030 1 8 . 1 1 117 117 GLU CA C 117 56.731 56.731 56.340 0.391 25442 4031 1 8 . 1 1 117 117 GLU CB C 117 29.944 29.944 29.986 -0.042 25442 4032 1 8 . 1 1 117 117 GLU H H 117 8.234 8.234 8.122 0.112 25442 4033 1 9 . 1 1 2 2 ALA HA H 2 4.335 4.335 4.446 -0.111 25442 4034 1 9 . 1 1 2 2 ALA CA C 2 53.634 53.634 53.012 0.622 25442 4035 1 9 . 1 1 2 2 ALA CB C 2 19.441 19.441 19.250 0.191 25442 4036 1 9 . 1 1 3 3 MET N N 3 120.791 120.791 121.094 -0.303 25442 4037 1 9 . 1 1 3 3 MET HA H 3 4.499 4.499 4.476 0.023 25442 4038 1 9 . 1 1 3 3 MET CA C 3 55.772 55.772 55.030 0.742 25442 4039 1 9 . 1 1 3 3 MET CB C 3 32.968 32.968 30.660 2.308 25442 4040 1 9 . 1 1 3 3 MET H H 3 8.636 8.636 8.204 0.431 25442 4041 1 9 . 1 1 4 4 GLY N N 4 109.879 109.879 110.998 -1.119 25442 4042 1 9 . 1 1 4 4 GLY CA C 4 45.531 45.531 46.229 -0.698 25442 4043 1 9 . 1 1 4 4 GLY H H 4 8.391 8.391 8.722 -0.331 25442 4044 1 9 . 1 1 5 5 ASN N N 5 124.309 124.309 117.226 7.083 25442 4045 1 9 . 1 1 5 5 ASN HA H 5 4.661 4.661 4.752 -0.091 25442 4046 1 9 . 1 1 5 5 ASN CA C 5 53.419 53.419 53.290 0.129 25442 4047 1 9 . 1 1 5 5 ASN CB C 5 39.059 39.059 39.180 -0.121 25442 4048 1 9 . 1 1 5 5 ASN H H 5 7.954 7.954 8.478 -0.524 25442 4049 1 9 . 1 1 7 7 TYR N N 7 120.088 120.088 125.677 -5.589 25442 4050 1 9 . 1 1 7 7 TYR HA H 7 4.463 4.463 4.634 -0.171 25442 4051 1 9 . 1 1 7 7 TYR CA C 7 58.098 58.098 58.071 0.027 25442 4052 1 9 . 1 1 7 7 TYR CB C 7 38.252 38.252 40.287 -2.035 25442 4053 1 9 . 1 1 7 7 TYR H H 7 8.013 8.013 8.595 -0.582 25442 4054 1 9 . 1 1 8 8 LYS N N 8 121.766 121.766 126.109 -4.343 25442 4055 1 9 . 1 1 8 8 LYS HA H 8 4.174 4.174 4.462 -0.288 25442 4056 1 9 . 1 1 8 8 LYS CA C 8 56.835 56.835 54.515 2.320 25442 4057 1 9 . 1 1 8 8 LYS CB C 8 32.997 32.997 33.723 -0.726 25442 4058 1 9 . 1 1 8 8 LYS H H 8 7.845 7.845 7.772 0.073 25442 4059 1 9 . 1 1 9 9 ASP N N 9 119.739 119.739 116.583 3.156 25442 4060 1 9 . 1 1 9 9 ASP HA H 9 4.477 4.477 4.332 0.145 25442 4061 1 9 . 1 1 9 9 ASP CA C 9 54.660 54.660 55.015 -0.355 25442 4062 1 9 . 1 1 9 9 ASP CB C 9 41.100 41.100 39.596 1.504 25442 4063 1 9 . 1 1 9 9 ASP H H 9 8.043 8.043 8.687 -0.644 25442 4064 1 9 . 1 1 10 10 ASN N N 10 119.260 119.260 116.820 2.440 25442 4065 1 9 . 1 1 10 10 ASN HA H 10 4.875 4.875 4.580 0.295 25442 4066 1 9 . 1 1 10 10 ASN CA C 10 53.255 53.255 52.672 0.583 25442 4067 1 9 . 1 1 10 10 ASN CB C 10 39.105 39.105 37.069 2.036 25442 4068 1 9 . 1 1 10 10 ASN H H 10 8.174 8.174 8.248 -0.074 25442 4069 1 9 . 1 1 11 11 ALA N N 11 122.869 122.869 123.042 -0.173 25442 4070 1 9 . 1 1 11 11 ALA HA H 11 4.544 4.544 4.249 0.295 25442 4071 1 9 . 1 1 11 11 ALA CA C 11 52.866 52.866 52.035 0.831 25442 4072 1 9 . 1 1 11 11 ALA H H 11 8.299 8.299 7.513 0.786 25442 4073 1 9 . 1 1 12 12 TYR N N 12 117.351 117.351 123.898 -6.547 25442 4074 1 9 . 1 1 12 12 TYR HA H 12 5.220 5.220 5.696 -0.476 25442 4075 1 9 . 1 1 12 12 TYR CA C 12 57.621 57.621 56.642 0.979 25442 4076 1 9 . 1 1 12 12 TYR CB C 12 41.631 41.631 42.674 -1.043 25442 4077 1 9 . 1 1 12 12 TYR H H 12 8.340 8.340 8.228 0.112 25442 4078 1 9 . 1 1 13 13 ILE N N 13 112.184 112.184 117.840 -5.656 25442 4079 1 9 . 1 1 13 13 ILE HA H 13 5.052 5.052 5.333 -0.281 25442 4080 1 9 . 1 1 13 13 ILE CA C 13 59.995 59.995 59.321 0.674 25442 4081 1 9 . 1 1 13 13 ILE CB C 13 40.418 40.418 42.187 -1.769 25442 4082 1 9 . 1 1 13 13 ILE H H 13 9.216 9.216 8.530 0.686 25442 4083 1 9 . 1 1 14 14 TYR N N 14 123.504 123.504 126.470 -2.966 25442 4084 1 9 . 1 1 14 14 TYR HA H 14 4.690 4.690 4.914 -0.224 25442 4085 1 9 . 1 1 14 14 TYR CA C 14 56.688 56.688 57.269 -0.581 25442 4086 1 9 . 1 1 14 14 TYR CB C 14 40.564 40.564 39.733 0.831 25442 4087 1 9 . 1 1 14 14 TYR H H 14 9.086 9.086 9.130 -0.044 25442 4088 1 9 . 1 1 15 15 ILE N N 15 127.611 127.611 128.674 -1.063 25442 4089 1 9 . 1 1 15 15 ILE HA H 15 4.288 4.288 4.799 -0.511 25442 4090 1 9 . 1 1 15 15 ILE CA C 15 59.654 59.654 60.440 -0.786 25442 4091 1 9 . 1 1 15 15 ILE CB C 15 40.260 40.260 38.911 1.349 25442 4092 1 9 . 1 1 15 15 ILE H H 15 8.448 8.448 7.482 0.966 25442 4093 1 9 . 1 1 16 16 GLY N N 16 112.660 112.660 112.936 -0.276 25442 4094 1 9 . 1 1 16 16 GLY CA C 16 43.240 43.240 43.312 -0.072 25442 4095 1 9 . 1 1 16 16 GLY H H 16 9.438 9.438 8.818 0.620 25442 4096 1 9 . 1 1 17 17 ASN N N 17 114.980 114.980 114.976 0.004 25442 4097 1 9 . 1 1 17 17 ASN HA H 17 4.439 4.439 4.449 -0.010 25442 4098 1 9 . 1 1 17 17 ASN CA C 17 53.251 53.251 53.929 -0.679 25442 4099 1 9 . 1 1 17 17 ASN CB C 17 38.259 38.259 37.785 0.474 25442 4100 1 9 . 1 1 17 17 ASN H H 17 8.497 8.497 8.714 -0.217 25442 4101 1 9 . 1 1 18 18 LEU N N 18 115.182 115.182 114.055 1.127 25442 4102 1 9 . 1 1 18 18 LEU HA H 18 4.068 4.068 4.652 -0.584 25442 4103 1 9 . 1 1 18 18 LEU CA C 18 54.073 54.073 53.843 0.230 25442 4104 1 9 . 1 1 18 18 LEU CB C 18 42.912 42.912 43.322 -0.410 25442 4105 1 9 . 1 1 18 18 LEU H H 18 7.859 7.859 7.557 0.302 25442 4106 1 9 . 1 1 19 19 ASN N N 19 122.392 122.392 119.759 2.633 25442 4107 1 9 . 1 1 19 19 ASN HA H 19 4.464 4.464 4.722 -0.258 25442 4108 1 9 . 1 1 19 19 ASN CA C 19 54.087 54.087 52.979 1.108 25442 4109 1 9 . 1 1 19 19 ASN CB C 19 38.703 38.703 39.997 -1.294 25442 4110 1 9 . 1 1 19 19 ASN H H 19 8.727 8.727 8.785 -0.058 25442 4111 1 9 . 1 1 20 20 ARG N N 20 126.283 126.283 125.189 1.094 25442 4112 1 9 . 1 1 20 20 ARG HA H 20 3.937 3.937 4.030 -0.093 25442 4113 1 9 . 1 1 20 20 ARG CA C 20 58.719 58.719 58.428 0.291 25442 4114 1 9 . 1 1 20 20 ARG CB C 20 29.719 29.719 29.479 0.240 25442 4115 1 9 . 1 1 20 20 ARG H H 20 8.940 8.940 8.742 0.198 25442 4116 1 9 . 1 1 21 21 GLU N N 21 117.166 117.166 119.277 -2.111 25442 4117 1 9 . 1 1 21 21 GLU HA H 21 4.321 4.321 4.137 0.184 25442 4118 1 9 . 1 1 21 21 GLU CA C 21 56.778 56.778 57.371 -0.593 25442 4119 1 9 . 1 1 21 21 GLU H H 21 8.867 8.867 7.805 1.062 25442 4120 1 9 . 1 1 22 22 LEU N N 22 119.643 119.643 120.709 -1.066 25442 4121 1 9 . 1 1 22 22 LEU HA H 22 4.540 4.540 4.226 0.314 25442 4122 1 9 . 1 1 22 22 LEU CA C 22 55.505 55.505 55.927 -0.422 25442 4123 1 9 . 1 1 22 22 LEU CB C 22 42.251 42.251 42.148 0.103 25442 4124 1 9 . 1 1 22 22 LEU H H 22 7.324 7.324 7.644 -0.320 25442 4125 1 9 . 1 1 23 23 THR N N 23 114.564 114.564 114.371 0.193 25442 4126 1 9 . 1 1 23 23 THR HA H 23 4.483 4.483 4.476 0.007 25442 4127 1 9 . 1 1 23 23 THR CA C 23 60.155 60.155 59.802 0.353 25442 4128 1 9 . 1 1 23 23 THR CB C 23 73.000 73.000 70.716 2.284 25442 4129 1 9 . 1 1 23 23 THR H H 23 9.483 9.483 7.685 1.798 25442 4130 1 9 . 1 1 24 24 GLU N N 24 120.458 120.458 120.635 -0.177 25442 4131 1 9 . 1 1 24 24 GLU HA H 24 3.604 3.604 3.935 -0.331 25442 4132 1 9 . 1 1 24 24 GLU CA C 24 62.158 62.158 60.100 2.058 25442 4133 1 9 . 1 1 24 24 GLU H H 24 10.410 10.410 8.814 1.596 25442 4134 1 9 . 1 1 25 25 GLY N N 25 105.261 105.261 106.625 -1.364 25442 4135 1 9 . 1 1 25 25 GLY CA C 25 47.219 47.219 46.688 0.531 25442 4136 1 9 . 1 1 25 25 GLY H H 25 8.402 8.402 8.407 -0.005 25442 4137 1 9 . 1 1 26 26 ASP N N 26 122.820 122.820 122.950 -0.130 25442 4138 1 9 . 1 1 26 26 ASP HA H 26 4.515 4.515 4.470 0.045 25442 4139 1 9 . 1 1 26 26 ASP CA C 26 58.005 58.005 56.917 1.088 25442 4140 1 9 . 1 1 26 26 ASP CB C 26 41.261 41.261 40.616 0.645 25442 4141 1 9 . 1 1 26 26 ASP H H 26 7.539 7.539 7.534 0.005 25442 4142 1 9 . 1 1 27 27 ILE N N 27 118.686 118.686 120.366 -1.680 25442 4143 1 9 . 1 1 27 27 ILE HA H 27 3.609 3.609 3.773 -0.164 25442 4144 1 9 . 1 1 27 27 ILE CA C 27 65.348 65.348 65.098 0.250 25442 4145 1 9 . 1 1 27 27 ILE CB C 27 37.789 37.789 37.944 -0.155 25442 4146 1 9 . 1 1 27 27 ILE H H 27 7.832 7.832 7.766 0.066 25442 4147 1 9 . 1 1 28 28 LEU N N 28 119.737 119.737 120.657 -0.920 25442 4148 1 9 . 1 1 28 28 LEU HA H 28 3.790 3.790 3.850 -0.060 25442 4149 1 9 . 1 1 28 28 LEU CA C 28 59.040 59.040 58.604 0.436 25442 4150 1 9 . 1 1 28 28 LEU CB C 28 42.520 42.520 41.709 0.811 25442 4151 1 9 . 1 1 28 28 LEU H H 28 8.731 8.731 7.789 0.942 25442 4152 1 9 . 1 1 29 29 THR N N 29 119.509 119.509 114.721 4.788 25442 4153 1 9 . 1 1 29 29 THR HA H 29 4.045 4.045 4.020 0.025 25442 4154 1 9 . 1 1 29 29 THR CA C 29 67.196 67.196 66.895 0.301 25442 4155 1 9 . 1 1 29 29 THR CB C 29 69.194 69.194 68.631 0.563 25442 4156 1 9 . 1 1 29 29 THR H H 29 8.251 8.251 7.913 0.338 25442 4157 1 9 . 1 1 30 30 VAL N N 30 117.974 117.974 121.170 -3.196 25442 4158 1 9 . 1 1 30 30 VAL HA H 30 3.869 3.869 3.850 0.019 25442 4159 1 9 . 1 1 30 30 VAL CA C 30 65.727 65.727 65.944 -0.217 25442 4160 1 9 . 1 1 30 30 VAL CB C 30 32.912 32.912 31.814 1.098 25442 4161 1 9 . 1 1 30 30 VAL H H 30 7.627 7.627 7.892 -0.265 25442 4162 1 9 . 1 1 31 31 PHE N N 31 113.937 113.937 116.023 -2.086 25442 4163 1 9 . 1 1 31 31 PHE HA H 31 3.908 3.908 4.774 -0.866 25442 4164 1 9 . 1 1 31 31 PHE CA C 31 62.044 62.044 59.453 2.591 25442 4165 1 9 . 1 1 31 31 PHE CB C 31 37.217 37.217 39.188 -1.971 25442 4166 1 9 . 1 1 31 31 PHE H H 31 8.903 8.903 8.476 0.427 25442 4167 1 9 . 1 1 32 32 SER N N 32 118.854 118.854 117.874 0.980 25442 4168 1 9 . 1 1 32 32 SER HA H 32 5.405 5.405 4.121 1.284 25442 4169 1 9 . 1 1 32 32 SER CA C 32 61.282 61.282 62.250 -0.968 25442 4170 1 9 . 1 1 32 32 SER CB C 32 64.055 64.055 62.734 1.321 25442 4171 1 9 . 1 1 32 32 SER H H 32 8.024 8.024 8.649 -0.625 25442 4172 1 9 . 1 1 33 33 GLU N N 33 121.203 121.203 119.948 1.255 25442 4173 1 9 . 1 1 33 33 GLU HA H 33 2.246 2.246 3.964 -1.718 25442 4174 1 9 . 1 1 33 33 GLU CA C 33 59.596 59.596 58.187 1.409 25442 4175 1 9 . 1 1 33 33 GLU H H 33 6.935 6.935 7.886 -0.951 25442 4176 1 9 . 1 1 34 34 TYR N N 34 108.039 108.039 118.333 -10.294 25442 4177 1 9 . 1 1 34 34 TYR HA H 34 4.953 4.953 4.750 0.203 25442 4178 1 9 . 1 1 34 34 TYR CA C 34 57.226 57.226 56.068 1.158 25442 4179 1 9 . 1 1 34 34 TYR CB C 34 38.821 38.821 37.949 0.872 25442 4180 1 9 . 1 1 34 34 TYR H H 34 6.254 6.254 7.369 -1.115 25442 4181 1 9 . 1 1 35 35 GLY N N 35 103.601 103.601 107.953 -4.352 25442 4182 1 9 . 1 1 35 35 GLY CA C 35 44.594 44.594 44.956 -0.362 25442 4183 1 9 . 1 1 35 35 GLY H H 35 7.247 7.247 7.702 -0.455 25442 4184 1 9 . 1 1 36 36 VAL N N 36 120.482 120.482 122.721 -2.239 25442 4185 1 9 . 1 1 36 36 VAL HA H 36 4.537 4.537 4.052 0.485 25442 4186 1 9 . 1 1 36 36 VAL CA C 36 59.942 59.942 61.255 -1.313 25442 4187 1 9 . 1 1 36 36 VAL CB C 36 33.989 33.989 33.202 0.787 25442 4188 1 9 . 1 1 36 36 VAL H H 36 8.549 8.549 7.744 0.805 25442 4189 1 9 . 1 1 37 37 PRO HA H 37 4.543 4.543 4.086 0.457 25442 4190 1 9 . 1 1 37 37 PRO CA C 37 62.043 62.043 62.775 -0.732 25442 4191 1 9 . 1 1 37 37 PRO CB C 37 31.531 31.531 31.978 -0.447 25442 4192 1 9 . 1 1 38 38 VAL N N 38 118.566 118.566 115.905 2.661 25442 4193 1 9 . 1 1 38 38 VAL HA H 38 4.439 4.439 4.109 0.330 25442 4194 1 9 . 1 1 38 38 VAL CA C 38 61.064 61.064 62.478 -1.414 25442 4195 1 9 . 1 1 38 38 VAL CB C 38 32.842 32.842 32.515 0.327 25442 4196 1 9 . 1 1 38 38 VAL H H 38 9.099 9.099 8.411 0.688 25442 4197 1 9 . 1 1 39 39 ASP N N 39 118.912 118.912 119.043 -0.131 25442 4198 1 9 . 1 1 39 39 ASP HA H 39 4.920 4.920 4.761 0.159 25442 4199 1 9 . 1 1 39 39 ASP CA C 39 54.860 54.860 53.976 0.884 25442 4200 1 9 . 1 1 39 39 ASP CB C 39 44.441 44.441 43.947 0.494 25442 4201 1 9 . 1 1 39 39 ASP H H 39 7.300 7.300 7.496 -0.196 25442 4202 1 9 . 1 1 40 40 VAL N N 40 123.365 123.365 115.958 7.407 25442 4203 1 9 . 1 1 40 40 VAL HA H 40 4.759 4.759 4.828 -0.069 25442 4204 1 9 . 1 1 40 40 VAL CA C 40 61.259 61.259 59.734 1.525 25442 4205 1 9 . 1 1 40 40 VAL CB C 40 34.464 34.464 34.644 -0.180 25442 4206 1 9 . 1 1 40 40 VAL H H 40 8.052 8.052 8.432 -0.380 25442 4207 1 9 . 1 1 41 41 ILE N N 41 127.951 127.951 124.400 3.551 25442 4208 1 9 . 1 1 41 41 ILE HA H 41 4.361 4.361 4.340 0.021 25442 4209 1 9 . 1 1 41 41 ILE CA C 41 60.204 60.204 60.693 -0.489 25442 4210 1 9 . 1 1 41 41 ILE CB C 41 41.220 41.220 39.564 1.656 25442 4211 1 9 . 1 1 41 41 ILE H H 41 9.031 9.031 8.989 0.042 25442 4212 1 9 . 1 1 42 42 LEU N N 42 130.034 130.034 130.236 -0.202 25442 4213 1 9 . 1 1 42 42 LEU HA H 42 4.415 4.415 4.537 -0.122 25442 4214 1 9 . 1 1 42 42 LEU CA C 42 53.832 53.832 53.818 0.014 25442 4215 1 9 . 1 1 42 42 LEU CB C 42 44.353 44.353 42.862 1.491 25442 4216 1 9 . 1 1 42 42 LEU H H 42 8.935 8.935 8.718 0.217 25442 4217 1 9 . 1 1 43 43 SER N N 43 121.977 121.977 119.739 2.238 25442 4218 1 9 . 1 1 43 43 SER HA H 43 4.092 4.092 4.540 -0.448 25442 4219 1 9 . 1 1 43 43 SER CA C 43 59.298 59.298 58.954 0.344 25442 4220 1 9 . 1 1 43 43 SER CB C 43 62.879 62.879 63.706 -0.827 25442 4221 1 9 . 1 1 43 43 SER H H 43 8.088 8.088 8.253 -0.165 25442 4222 1 9 . 1 1 44 44 ARG N N 44 125.852 125.852 121.071 4.781 25442 4223 1 9 . 1 1 44 44 ARG HA H 44 4.906 4.906 4.503 0.403 25442 4224 1 9 . 1 1 44 44 ARG CA C 44 54.363 54.363 54.352 0.010 25442 4225 1 9 . 1 1 44 44 ARG CB C 44 34.095 34.095 32.850 1.245 25442 4226 1 9 . 1 1 44 44 ARG H H 44 8.081 8.081 8.081 -0.000 25442 4227 1 9 . 1 1 45 45 ASP N N 45 123.150 123.150 121.014 2.136 25442 4228 1 9 . 1 1 45 45 ASP HA H 45 4.425 4.425 4.696 -0.271 25442 4229 1 9 . 1 1 45 45 ASP CA C 45 54.728 54.728 52.909 1.819 25442 4230 1 9 . 1 1 45 45 ASP CB C 45 43.318 43.318 41.370 1.948 25442 4231 1 9 . 1 1 45 45 ASP H H 45 8.594 8.594 8.168 0.426 25442 4232 1 9 . 1 1 46 46 GLU N N 46 127.786 127.786 126.343 1.443 25442 4233 1 9 . 1 1 46 46 GLU HA H 46 4.048 4.048 4.068 -0.020 25442 4234 1 9 . 1 1 46 46 GLU CA C 46 59.018 59.018 58.325 0.693 25442 4235 1 9 . 1 1 46 46 GLU CB C 46 29.870 29.870 29.324 0.546 25442 4236 1 9 . 1 1 46 46 GLU H H 46 9.250 9.250 8.797 0.453 25442 4237 1 9 . 1 1 47 47 ASN N N 47 116.105 116.105 117.155 -1.050 25442 4238 1 9 . 1 1 47 47 ASN HA H 47 4.825 4.825 4.590 0.235 25442 4239 1 9 . 1 1 47 47 ASN CA C 47 55.321 55.321 55.611 -0.290 25442 4240 1 9 . 1 1 47 47 ASN CB C 47 39.927 39.927 38.761 1.166 25442 4241 1 9 . 1 1 47 47 ASN H H 47 8.857 8.857 9.051 -0.194 25442 4242 1 9 . 1 1 48 48 THR N N 48 108.395 108.395 110.433 -2.038 25442 4243 1 9 . 1 1 48 48 THR HA H 48 4.461 4.461 4.556 -0.095 25442 4244 1 9 . 1 1 48 48 THR CA C 48 61.883 61.883 61.799 0.084 25442 4245 1 9 . 1 1 48 48 THR CB C 48 71.194 71.194 70.106 1.088 25442 4246 1 9 . 1 1 48 48 THR H H 48 8.539 8.539 7.583 0.956 25442 4247 1 9 . 1 1 49 49 GLY N N 49 110.910 110.910 111.035 -0.125 25442 4248 1 9 . 1 1 49 49 GLY CA C 49 45.706 45.706 45.745 -0.039 25442 4249 1 9 . 1 1 49 49 GLY H H 49 8.293 8.293 8.472 -0.179 25442 4250 1 9 . 1 1 50 50 GLU N N 50 120.328 120.328 115.180 5.148 25442 4251 1 9 . 1 1 50 50 GLU HA H 50 4.162 4.162 4.665 -0.503 25442 4252 1 9 . 1 1 50 50 GLU CA C 50 56.540 56.540 55.051 1.489 25442 4253 1 9 . 1 1 50 50 GLU CB C 50 30.948 30.948 31.880 -0.932 25442 4254 1 9 . 1 1 50 50 GLU H H 50 7.854 7.854 7.830 0.024 25442 4255 1 9 . 1 1 51 51 SER N N 51 117.235 117.235 114.664 2.571 25442 4256 1 9 . 1 1 51 51 SER HA H 51 4.391 4.391 4.731 -0.340 25442 4257 1 9 . 1 1 51 51 SER CA C 51 58.361 58.361 57.791 0.570 25442 4258 1 9 . 1 1 51 51 SER CB C 51 64.438 64.438 65.094 -0.656 25442 4259 1 9 . 1 1 51 51 SER H H 51 8.950 8.950 8.504 0.446 25442 4260 1 9 . 1 1 52 52 GLN N N 52 122.996 122.996 120.403 2.593 25442 4261 1 9 . 1 1 52 52 GLN HA H 52 4.516 4.516 4.432 0.084 25442 4262 1 9 . 1 1 52 52 GLN CA C 52 55.406 55.406 56.294 -0.888 25442 4263 1 9 . 1 1 52 52 GLN CB C 52 29.624 29.624 29.070 0.554 25442 4264 1 9 . 1 1 52 52 GLN H H 52 8.929 8.929 8.973 -0.044 25442 4265 1 9 . 1 1 53 53 GLY N N 53 106.139 106.139 106.108 0.031 25442 4266 1 9 . 1 1 53 53 GLY CA C 53 46.434 46.434 44.854 1.580 25442 4267 1 9 . 1 1 53 53 GLY H H 53 8.876 8.876 8.471 0.405 25442 4268 1 9 . 1 1 54 54 PHE N N 54 112.294 112.294 116.459 -4.165 25442 4269 1 9 . 1 1 54 54 PHE HA H 54 5.436 5.436 4.548 0.888 25442 4270 1 9 . 1 1 54 54 PHE CA C 54 55.464 55.464 55.074 0.390 25442 4271 1 9 . 1 1 54 54 PHE CB C 54 41.207 41.207 39.737 1.470 25442 4272 1 9 . 1 1 54 54 PHE H H 54 6.938 6.938 7.633 -0.695 25442 4273 1 9 . 1 1 55 55 ALA N N 55 121.935 121.935 123.373 -1.438 25442 4274 1 9 . 1 1 55 55 ALA HA H 55 5.051 5.051 4.185 0.866 25442 4275 1 9 . 1 1 55 55 ALA CA C 55 49.517 49.517 51.500 -1.983 25442 4276 1 9 . 1 1 55 55 ALA CB C 55 24.966 24.966 21.977 2.990 25442 4277 1 9 . 1 1 55 55 ALA H H 55 9.098 9.098 7.898 1.200 25442 4278 1 9 . 1 1 56 56 TYR N N 56 114.799 114.799 119.669 -4.870 25442 4279 1 9 . 1 1 56 56 TYR HA H 56 5.652 5.652 4.917 0.735 25442 4280 1 9 . 1 1 56 56 TYR CA C 56 56.128 56.128 57.047 -0.919 25442 4281 1 9 . 1 1 56 56 TYR CB C 56 42.405 42.405 40.127 2.278 25442 4282 1 9 . 1 1 56 56 TYR H H 56 8.572 8.572 8.328 0.244 25442 4283 1 9 . 1 1 57 57 LEU N N 57 123.129 123.129 125.112 -1.983 25442 4284 1 9 . 1 1 57 57 LEU HA H 57 5.100 5.100 4.699 0.401 25442 4285 1 9 . 1 1 57 57 LEU CA C 57 54.552 54.552 53.885 0.667 25442 4286 1 9 . 1 1 57 57 LEU H H 57 8.600 8.600 8.288 0.312 25442 4287 1 9 . 1 1 58 58 LYS N N 58 126.556 126.556 127.417 -0.861 25442 4288 1 9 . 1 1 58 58 LYS HA H 58 4.553 4.553 4.079 0.474 25442 4289 1 9 . 1 1 58 58 LYS CA C 58 54.518 54.518 54.909 -0.391 25442 4290 1 9 . 1 1 58 58 LYS CB C 58 36.254 36.254 33.625 2.629 25442 4291 1 9 . 1 1 58 58 LYS H H 58 8.389 8.389 7.893 0.496 25442 4292 1 9 . 1 1 59 59 TYR N N 59 126.761 126.761 127.007 -0.246 25442 4293 1 9 . 1 1 59 59 TYR HA H 59 5.061 5.061 4.519 0.542 25442 4294 1 9 . 1 1 59 59 TYR CA C 59 58.271 58.271 58.096 0.175 25442 4295 1 9 . 1 1 59 59 TYR H H 59 9.035 9.035 8.620 0.415 25442 4296 1 9 . 1 1 60 60 GLU N N 60 120.097 120.097 122.563 -2.466 25442 4297 1 9 . 1 1 60 60 GLU HA H 60 3.890 3.890 4.064 -0.174 25442 4298 1 9 . 1 1 60 60 GLU CA C 60 59.244 59.244 58.499 0.745 25442 4299 1 9 . 1 1 60 60 GLU CB C 60 31.145 31.145 30.256 0.889 25442 4300 1 9 . 1 1 60 60 GLU H H 60 8.796 8.796 8.787 0.009 25442 4301 1 9 . 1 1 61 61 ASP N N 61 117.697 117.697 117.558 0.139 25442 4302 1 9 . 1 1 61 61 ASP HA H 61 4.842 4.842 4.884 -0.042 25442 4303 1 9 . 1 1 61 61 ASP CA C 61 51.550 51.550 53.112 -1.562 25442 4304 1 9 . 1 1 61 61 ASP CB C 61 43.258 43.258 42.538 0.720 25442 4305 1 9 . 1 1 61 61 ASP H H 61 8.006 8.006 8.156 -0.150 25442 4306 1 9 . 1 1 62 62 GLN N N 62 126.321 126.321 122.786 3.535 25442 4307 1 9 . 1 1 62 62 GLN HA H 62 4.223 4.223 3.962 0.261 25442 4308 1 9 . 1 1 62 62 GLN CA C 62 58.637 58.637 59.447 -0.810 25442 4309 1 9 . 1 1 62 62 GLN CB C 62 27.994 27.994 29.078 -1.084 25442 4310 1 9 . 1 1 62 62 GLN H H 62 9.053 9.053 8.844 0.209 25442 4311 1 9 . 1 1 63 63 ARG N N 63 121.086 121.086 117.668 3.418 25442 4312 1 9 . 1 1 63 63 ARG HA H 63 3.654 3.654 4.016 -0.362 25442 4313 1 9 . 1 1 63 63 ARG CA C 63 58.971 58.971 59.444 -0.473 25442 4314 1 9 . 1 1 63 63 ARG H H 63 8.960 8.960 8.414 0.546 25442 4315 1 9 . 1 1 64 64 SER N N 64 114.891 114.891 113.169 1.722 25442 4316 1 9 . 1 1 64 64 SER HA H 64 3.704 3.704 4.232 -0.528 25442 4317 1 9 . 1 1 64 64 SER CA C 64 63.589 63.589 61.814 1.775 25442 4318 1 9 . 1 1 64 64 SER H H 64 8.143 8.143 7.751 0.392 25442 4319 1 9 . 1 1 65 65 THR N N 65 111.019 111.019 114.999 -3.980 25442 4320 1 9 . 1 1 65 65 THR HA H 65 3.765 3.765 3.371 0.394 25442 4321 1 9 . 1 1 65 65 THR CA C 65 66.198 66.198 65.430 0.768 25442 4322 1 9 . 1 1 65 65 THR CB C 65 68.461 68.461 67.946 0.515 25442 4323 1 9 . 1 1 65 65 THR H H 65 7.633 7.633 7.117 0.516 25442 4324 1 9 . 1 1 66 66 ILE N N 66 123.242 123.242 121.962 1.280 25442 4325 1 9 . 1 1 66 66 ILE HA H 66 3.673 3.673 3.783 -0.110 25442 4326 1 9 . 1 1 66 66 ILE CA C 66 64.506 64.506 64.964 -0.458 25442 4327 1 9 . 1 1 66 66 ILE CB C 66 38.668 38.668 37.446 1.222 25442 4328 1 9 . 1 1 66 66 ILE H H 66 6.648 6.648 7.323 -0.675 25442 4329 1 9 . 1 1 67 67 LEU N N 67 113.375 113.375 120.521 -7.146 25442 4330 1 9 . 1 1 67 67 LEU HA H 67 3.627 3.627 3.825 -0.198 25442 4331 1 9 . 1 1 67 67 LEU CA C 67 57.678 57.678 58.117 -0.439 25442 4332 1 9 . 1 1 67 67 LEU CB C 67 41.866 41.866 41.434 0.431 25442 4333 1 9 . 1 1 67 67 LEU H H 67 6.899 6.899 7.545 -0.646 25442 4334 1 9 . 1 1 68 68 ALA N N 68 120.327 120.327 120.863 -0.536 25442 4335 1 9 . 1 1 68 68 ALA HA H 68 3.406 3.406 3.526 -0.120 25442 4336 1 9 . 1 1 68 68 ALA CA C 68 55.643 55.643 54.952 0.691 25442 4337 1 9 . 1 1 68 68 ALA CB C 68 19.395 19.395 18.343 1.052 25442 4338 1 9 . 1 1 68 68 ALA H H 68 8.201 8.201 7.601 0.600 25442 4339 1 9 . 1 1 69 69 VAL N N 69 118.977 118.977 119.131 -0.154 25442 4340 1 9 . 1 1 69 69 VAL HA H 69 3.221 3.221 3.622 -0.401 25442 4341 1 9 . 1 1 69 69 VAL CA C 69 67.039 67.039 67.266 -0.227 25442 4342 1 9 . 1 1 69 69 VAL CB C 69 31.896 31.896 31.126 0.770 25442 4343 1 9 . 1 1 69 69 VAL H H 69 8.235 8.235 8.355 -0.120 25442 4344 1 9 . 1 1 70 70 ASP N N 70 116.894 116.894 118.052 -1.158 25442 4345 1 9 . 1 1 70 70 ASP HA H 70 3.941 3.941 4.318 -0.377 25442 4346 1 9 . 1 1 70 70 ASP CA C 70 57.576 57.576 57.086 0.490 25442 4347 1 9 . 1 1 70 70 ASP CB C 70 39.037 39.037 41.049 -2.012 25442 4348 1 9 . 1 1 70 70 ASP H H 70 8.152 8.152 8.555 -0.403 25442 4349 1 9 . 1 1 71 71 ASN N N 71 110.936 110.936 115.821 -4.885 25442 4350 1 9 . 1 1 71 71 ASN HA H 71 5.009 5.009 4.426 0.583 25442 4351 1 9 . 1 1 71 71 ASN CA C 71 55.710 55.710 54.989 0.721 25442 4352 1 9 . 1 1 71 71 ASN CB C 71 42.091 42.091 38.831 3.260 25442 4353 1 9 . 1 1 71 71 ASN H H 71 7.562 7.562 7.574 -0.012 25442 4354 1 9 . 1 1 72 72 LEU N N 72 116.460 116.460 118.352 -1.892 25442 4355 1 9 . 1 1 72 72 LEU HA H 72 4.686 4.686 4.243 0.443 25442 4356 1 9 . 1 1 72 72 LEU CA C 72 54.411 54.411 56.010 -1.599 25442 4357 1 9 . 1 1 72 72 LEU CB C 72 42.477 42.477 41.367 1.110 25442 4358 1 9 . 1 1 72 72 LEU H H 72 8.406 8.406 8.137 0.269 25442 4359 1 9 . 1 1 73 73 ASN N N 73 118.618 118.618 117.583 1.035 25442 4360 1 9 . 1 1 73 73 ASN HA H 73 4.419 4.419 4.509 -0.090 25442 4361 1 9 . 1 1 73 73 ASN CA C 73 56.716 56.716 54.758 1.958 25442 4362 1 9 . 1 1 73 73 ASN CB C 73 39.452 39.452 38.616 0.836 25442 4363 1 9 . 1 1 73 73 ASN H H 73 6.956 6.956 8.008 -1.052 25442 4364 1 9 . 1 1 74 74 GLY N N 74 116.095 116.095 113.479 2.616 25442 4365 1 9 . 1 1 74 74 GLY CA C 74 45.912 45.912 45.064 0.848 25442 4366 1 9 . 1 1 74 74 GLY H H 74 9.379 9.379 8.680 0.699 25442 4367 1 9 . 1 1 75 75 PHE N N 75 123.354 123.354 123.481 -0.127 25442 4368 1 9 . 1 1 75 75 PHE HA H 75 4.311 4.311 4.645 -0.334 25442 4369 1 9 . 1 1 75 75 PHE CA C 75 58.979 58.979 56.162 2.817 25442 4370 1 9 . 1 1 75 75 PHE CB C 75 41.709 41.709 40.506 1.203 25442 4371 1 9 . 1 1 75 75 PHE H H 75 8.211 8.211 7.747 0.464 25442 4372 1 9 . 1 1 76 76 LYS N N 76 127.267 127.267 126.617 0.650 25442 4373 1 9 . 1 1 76 76 LYS HA H 76 4.598 4.598 4.367 0.231 25442 4374 1 9 . 1 1 76 76 LYS CA C 76 56.529 56.529 55.938 0.591 25442 4375 1 9 . 1 1 76 76 LYS CB C 76 33.073 33.073 32.472 0.601 25442 4376 1 9 . 1 1 76 76 LYS H H 76 7.648 7.648 8.167 -0.519 25442 4377 1 9 . 1 1 77 77 ILE N N 77 121.576 121.576 124.290 -2.714 25442 4378 1 9 . 1 1 77 77 ILE HA H 77 4.406 4.406 4.026 0.380 25442 4379 1 9 . 1 1 77 77 ILE CA C 77 60.214 60.214 60.851 -0.637 25442 4380 1 9 . 1 1 77 77 ILE CB C 77 40.048 40.048 40.094 -0.046 25442 4381 1 9 . 1 1 77 77 ILE H H 77 8.100 8.100 8.888 -0.788 25442 4382 1 9 . 1 1 78 78 GLY CA C 78 47.118 47.118 45.181 1.937 25442 4383 1 9 . 1 1 79 79 GLY CA C 79 45.171 45.171 44.854 0.317 25442 4384 1 9 . 1 1 80 80 ARG N N 80 119.377 119.377 117.776 1.601 25442 4385 1 9 . 1 1 80 80 ARG HA H 80 4.650 4.650 4.602 0.048 25442 4386 1 9 . 1 1 80 80 ARG CA C 80 54.849 54.849 54.094 0.755 25442 4387 1 9 . 1 1 80 80 ARG CB C 80 33.411 33.411 31.621 1.790 25442 4388 1 9 . 1 1 80 80 ARG H H 80 7.379 7.379 7.247 0.132 25442 4389 1 9 . 1 1 81 81 ALA N N 81 126.782 126.782 124.468 2.314 25442 4390 1 9 . 1 1 81 81 ALA HA H 81 4.137 4.137 5.034 -0.897 25442 4391 1 9 . 1 1 81 81 ALA CA C 81 51.454 51.454 50.637 0.817 25442 4392 1 9 . 1 1 81 81 ALA CB C 81 19.131 19.131 19.713 -0.582 25442 4393 1 9 . 1 1 81 81 ALA H H 81 8.734 8.734 8.524 0.210 25442 4394 1 9 . 1 1 82 82 LEU N N 82 125.769 125.769 122.181 3.588 25442 4395 1 9 . 1 1 82 82 LEU HA H 82 4.390 4.390 4.396 -0.006 25442 4396 1 9 . 1 1 82 82 LEU CA C 82 56.196 56.196 55.570 0.626 25442 4397 1 9 . 1 1 82 82 LEU CB C 82 43.362 43.362 43.654 -0.292 25442 4398 1 9 . 1 1 82 82 LEU H H 82 8.736 8.736 8.148 0.588 25442 4399 1 9 . 1 1 83 83 LYS N N 83 123.851 123.851 123.442 0.409 25442 4400 1 9 . 1 1 83 83 LYS HA H 83 5.005 5.005 4.696 0.309 25442 4401 1 9 . 1 1 83 83 LYS CA C 83 54.790 54.790 55.421 -0.631 25442 4402 1 9 . 1 1 83 83 LYS CB C 83 34.212 34.212 33.636 0.576 25442 4403 1 9 . 1 1 83 83 LYS H H 83 7.838 7.838 8.178 -0.340 25442 4404 1 9 . 1 1 84 84 ILE N N 84 125.629 125.629 125.453 0.176 25442 4405 1 9 . 1 1 84 84 ILE HA H 84 5.576 5.576 5.470 0.106 25442 4406 1 9 . 1 1 84 84 ILE CA C 84 58.513 58.513 59.641 -1.128 25442 4407 1 9 . 1 1 84 84 ILE CB C 84 40.310 40.310 41.692 -1.382 25442 4408 1 9 . 1 1 84 84 ILE H H 84 8.727 8.727 8.568 0.159 25442 4409 1 9 . 1 1 85 85 ASP N N 85 124.427 124.427 123.864 0.563 25442 4410 1 9 . 1 1 85 85 ASP HA H 85 5.094 5.094 4.950 0.144 25442 4411 1 9 . 1 1 85 85 ASP CA C 85 52.697 52.697 52.779 -0.082 25442 4412 1 9 . 1 1 85 85 ASP CB C 85 45.574 45.574 44.303 1.271 25442 4413 1 9 . 1 1 85 85 ASP H H 85 8.960 8.960 8.589 0.371 25442 4414 1 9 . 1 1 86 86 HIS N N 86 121.356 121.356 121.238 0.118 25442 4415 1 9 . 1 1 86 86 HIS HA H 86 4.635 4.635 5.126 -0.491 25442 4416 1 9 . 1 1 86 86 HIS CA C 86 58.158 58.158 56.571 1.587 25442 4417 1 9 . 1 1 86 86 HIS CB C 86 31.368 31.368 30.678 0.690 25442 4418 1 9 . 1 1 86 86 HIS H H 86 8.783 8.783 8.760 0.023 25442 4419 1 9 . 1 1 87 87 THR N N 87 114.331 114.331 120.455 -6.124 25442 4420 1 9 . 1 1 87 87 THR HA H 87 4.691 4.691 4.643 0.048 25442 4421 1 9 . 1 1 87 87 THR CA C 87 60.890 60.890 62.101 -1.211 25442 4422 1 9 . 1 1 87 87 THR CB C 87 70.215 70.215 70.380 -0.165 25442 4423 1 9 . 1 1 87 87 THR H H 87 8.032 8.032 8.876 -0.844 25442 4424 1 9 . 1 1 88 88 PHE N N 88 118.673 118.673 119.566 -0.893 25442 4425 1 9 . 1 1 88 88 PHE HA H 88 4.305 4.305 4.281 0.024 25442 4426 1 9 . 1 1 88 88 PHE CA C 88 58.926 58.926 58.970 -0.044 25442 4427 1 9 . 1 1 88 88 PHE CB C 88 39.673 39.673 37.741 1.932 25442 4428 1 9 . 1 1 88 88 PHE H H 88 8.233 8.233 7.933 0.300 25442 4429 1 9 . 1 1 89 89 TYR N N 89 124.182 124.182 119.022 5.160 25442 4430 1 9 . 1 1 89 89 TYR HA H 89 4.193 4.193 4.380 -0.187 25442 4431 1 9 . 1 1 89 89 TYR CA C 89 58.510 58.510 57.803 0.707 25442 4432 1 9 . 1 1 89 89 TYR CB C 89 39.993 39.993 38.578 1.415 25442 4433 1 9 . 1 1 89 89 TYR H H 89 8.246 8.246 7.935 0.311 25442 4434 1 9 . 1 1 90 90 ARG N N 90 125.111 125.111 128.107 -2.996 25442 4435 1 9 . 1 1 90 90 ARG HA H 90 4.219 4.219 4.244 -0.025 25442 4436 1 9 . 1 1 90 90 ARG CA C 90 52.511 52.511 51.750 0.761 25442 4437 1 9 . 1 1 90 90 ARG CB C 90 31.298 31.298 30.990 0.308 25442 4438 1 9 . 1 1 90 90 ARG H H 90 7.223 7.223 7.960 -0.737 25442 4439 1 9 . 1 1 91 91 PRO HA H 91 4.028 4.028 3.977 0.051 25442 4440 1 9 . 1 1 91 91 PRO CA C 91 62.759 62.759 63.176 -0.417 25442 4441 1 9 . 1 1 91 91 PRO CB C 91 32.074 32.074 31.721 0.353 25442 4442 1 9 . 1 1 94 94 SER HA H 94 4.466 4.466 4.304 0.162 25442 4443 1 9 . 1 1 94 94 SER CA C 94 58.273 58.273 58.643 -0.370 25442 4444 1 9 . 1 1 94 94 SER CB C 94 63.656 63.656 63.843 -0.187 25442 4445 1 9 . 1 1 95 95 LEU HA H 95 4.369 4.369 4.619 -0.250 25442 4446 1 9 . 1 1 95 95 LEU CA C 95 55.482 55.482 54.399 1.083 25442 4447 1 9 . 1 1 95 95 LEU CB C 95 42.350 42.350 42.440 -0.090 25442 4448 1 9 . 1 1 97 97 LYS HA H 97 4.197 4.197 3.846 0.351 25442 4449 1 9 . 1 1 97 97 LYS CA C 97 56.923 56.923 58.133 -1.210 25442 4450 1 9 . 1 1 97 97 LYS CB C 97 32.936 32.936 31.498 1.438 25442 4451 1 9 . 1 1 98 98 TYR N N 98 120.486 120.486 115.933 4.553 25442 4452 1 9 . 1 1 98 98 TYR HA H 98 4.477 4.477 4.146 0.331 25442 4453 1 9 . 1 1 98 98 TYR CA C 98 58.249 58.249 59.423 -1.174 25442 4454 1 9 . 1 1 98 98 TYR CB C 98 38.659 38.659 37.014 1.645 25442 4455 1 9 . 1 1 98 98 TYR H H 98 7.979 7.979 8.422 -0.443 25442 4456 1 9 . 1 1 99 99 TYR N N 99 120.784 120.784 117.825 2.959 25442 4457 1 9 . 1 1 99 99 TYR HA H 99 4.455 4.455 4.254 0.201 25442 4458 1 9 . 1 1 99 99 TYR CA C 99 58.281 58.281 61.153 -2.872 25442 4459 1 9 . 1 1 99 99 TYR CB C 99 38.902 38.902 38.705 0.197 25442 4460 1 9 . 1 1 99 99 TYR H H 99 7.918 7.918 8.047 -0.129 25442 4461 1 9 . 1 1 100 100 GLU N N 100 122.033 122.033 118.823 3.210 25442 4462 1 9 . 1 1 100 100 GLU HA H 100 4.171 4.171 4.259 -0.088 25442 4463 1 9 . 1 1 100 100 GLU CA C 100 56.766 56.766 57.522 -0.756 25442 4464 1 9 . 1 1 100 100 GLU H H 100 8.055 8.055 8.804 -0.749 25442 4465 1 9 . 1 1 101 101 ALA N N 101 124.629 124.629 120.217 4.412 25442 4466 1 9 . 1 1 101 101 ALA HA H 101 4.283 4.283 4.162 0.121 25442 4467 1 9 . 1 1 101 101 ALA CA C 101 52.795 52.795 52.449 0.346 25442 4468 1 9 . 1 1 101 101 ALA CB C 101 19.150 19.150 17.879 1.271 25442 4469 1 9 . 1 1 101 101 ALA H H 101 8.040 8.040 7.741 0.299 25442 4470 1 9 . 1 1 102 102 VAL N N 102 119.031 119.031 118.303 0.728 25442 4471 1 9 . 1 1 102 102 VAL HA H 102 4.039 4.039 3.490 0.549 25442 4472 1 9 . 1 1 102 102 VAL CA C 102 62.675 62.675 65.240 -2.565 25442 4473 1 9 . 1 1 102 102 VAL CB C 102 32.610 32.610 31.526 1.084 25442 4474 1 9 . 1 1 102 102 VAL H H 102 7.960 7.960 7.209 0.751 25442 4475 1 9 . 1 1 103 103 LYS N N 103 124.562 124.562 117.003 7.559 25442 4476 1 9 . 1 1 103 103 LYS HA H 103 4.258 4.258 4.238 0.020 25442 4477 1 9 . 1 1 103 103 LYS CA C 103 56.797 56.797 56.227 0.570 25442 4478 1 9 . 1 1 103 103 LYS CB C 103 33.012 33.012 33.194 -0.182 25442 4479 1 9 . 1 1 103 103 LYS H H 103 8.207 8.207 7.844 0.363 25442 4480 1 9 . 1 1 104 104 GLU N N 104 121.722 121.722 120.556 1.166 25442 4481 1 9 . 1 1 104 104 GLU HA H 104 4.263 4.263 4.449 -0.186 25442 4482 1 9 . 1 1 104 104 GLU CA C 104 57.034 57.034 56.299 0.735 25442 4483 1 9 . 1 1 104 104 GLU CB C 104 30.351 30.351 30.107 0.244 25442 4484 1 9 . 1 1 104 104 GLU H H 104 8.325 8.325 8.111 0.214 25442 4485 1 9 . 1 1 105 105 GLU N N 105 121.479 121.479 123.260 -1.781 25442 4486 1 9 . 1 1 105 105 GLU HA H 105 4.264 4.264 4.535 -0.271 25442 4487 1 9 . 1 1 105 105 GLU CA C 105 56.802 56.802 55.782 1.020 25442 4488 1 9 . 1 1 105 105 GLU CB C 105 30.351 30.351 30.312 0.039 25442 4489 1 9 . 1 1 105 105 GLU H H 105 8.288 8.288 8.542 -0.254 25442 4490 1 9 . 1 1 106 106 LEU N N 106 122.549 122.549 120.955 1.594 25442 4491 1 9 . 1 1 106 106 LEU HA H 106 4.316 4.316 3.887 0.429 25442 4492 1 9 . 1 1 106 106 LEU CA C 106 55.545 55.545 55.739 -0.195 25442 4493 1 9 . 1 1 106 106 LEU CB C 106 42.538 42.538 40.890 1.648 25442 4494 1 9 . 1 1 106 106 LEU H H 106 8.154 8.154 8.687 -0.533 25442 4495 1 9 . 1 1 107 107 ASP N N 107 120.656 120.656 118.288 2.368 25442 4496 1 9 . 1 1 107 107 ASP HA H 107 4.587 4.587 4.563 0.024 25442 4497 1 9 . 1 1 107 107 ASP CA C 107 54.715 54.715 55.286 -0.571 25442 4498 1 9 . 1 1 107 107 ASP CB C 107 41.125 41.125 41.063 0.062 25442 4499 1 9 . 1 1 107 107 ASP H H 107 8.273 8.273 8.174 0.099 25442 4500 1 9 . 1 1 108 108 ARG N N 108 120.710 120.710 121.660 -0.950 25442 4501 1 9 . 1 1 108 108 ARG HA H 108 4.272 4.272 4.485 -0.213 25442 4502 1 9 . 1 1 108 108 ARG CA C 108 56.778 56.778 56.426 0.352 25442 4503 1 9 . 1 1 108 108 ARG CB C 108 30.835 30.835 30.953 -0.119 25442 4504 1 9 . 1 1 108 108 ARG H H 108 8.041 8.041 8.375 -0.334 25442 4505 1 9 . 1 1 109 109 ASP N N 109 120.647 120.647 121.128 -0.481 25442 4506 1 9 . 1 1 109 109 ASP CA C 109 54.862 54.862 55.872 -1.010 25442 4507 1 9 . 1 1 109 109 ASP H H 109 8.331 8.331 8.611 -0.280 25442 4508 1 9 . 1 1 110 110 ILE N N 110 120.220 120.220 112.026 8.194 25442 4509 1 9 . 1 1 110 110 ILE HA H 110 4.140 4.140 3.933 0.207 25442 4510 1 9 . 1 1 110 110 ILE CA C 110 61.760 61.760 63.127 -1.367 25442 4511 1 9 . 1 1 110 110 ILE CB C 110 38.643 38.643 37.501 1.142 25442 4512 1 9 . 1 1 110 110 ILE H H 110 7.910 7.910 7.478 0.432 25442 4513 1 9 . 1 1 111 111 VAL N N 111 122.698 122.698 120.668 2.030 25442 4514 1 9 . 1 1 111 111 VAL HA H 111 4.095 4.095 4.256 -0.161 25442 4515 1 9 . 1 1 111 111 VAL CA C 111 62.982 62.982 61.707 1.275 25442 4516 1 9 . 1 1 111 111 VAL CB C 111 32.438 32.438 33.065 -0.627 25442 4517 1 9 . 1 1 111 111 VAL H H 111 8.018 8.018 7.498 0.520 25442 4518 1 9 . 1 1 112 112 SER HA H 112 4.439 4.439 4.699 -0.260 25442 4519 1 9 . 1 1 112 112 SER CA C 112 58.581 58.581 57.930 0.651 25442 4520 1 9 . 1 1 112 112 SER CB C 112 63.717 63.717 65.203 -1.486 25442 4521 1 9 . 1 1 114 114 ASN HA H 114 4.690 4.690 4.746 -0.056 25442 4522 1 9 . 1 1 114 114 ASN CA C 114 53.462 53.462 52.797 0.665 25442 4523 1 9 . 1 1 114 114 ASN CB C 114 39.073 39.073 37.999 1.074 25442 4524 1 9 . 1 1 115 115 ASN HA H 115 4.690 4.690 4.611 0.079 25442 4525 1 9 . 1 1 115 115 ASN CA C 115 53.476 53.476 53.270 0.206 25442 4526 1 9 . 1 1 115 115 ASN CB C 115 39.073 39.073 37.868 1.205 25442 4527 1 9 . 1 1 116 116 ALA N N 116 123.691 123.691 121.500 2.191 25442 4528 1 9 . 1 1 116 116 ALA HA H 116 4.355 4.355 4.494 -0.139 25442 4529 1 9 . 1 1 116 116 ALA CA C 116 52.748 52.748 51.831 0.916 25442 4530 1 9 . 1 1 116 116 ALA CB C 116 19.559 19.559 21.076 -1.518 25442 4531 1 9 . 1 1 116 116 ALA H H 116 8.144 8.144 7.558 0.586 25442 4532 1 9 . 1 1 117 117 GLU N N 117 120.174 120.174 119.566 0.608 25442 4533 1 9 . 1 1 117 117 GLU HA H 117 4.284 4.284 4.589 -0.305 25442 4534 1 9 . 1 1 117 117 GLU CA C 117 56.731 56.731 55.517 1.214 25442 4535 1 9 . 1 1 117 117 GLU CB C 117 29.944 29.944 30.879 -0.935 25442 4536 1 9 . 1 1 117 117 GLU H H 117 8.234 8.234 8.306 -0.072 25442 4537 1 10 . 1 1 2 2 ALA HA H 2 4.335 4.335 4.803 -0.468 25442 4538 1 10 . 1 1 2 2 ALA CA C 2 53.634 53.634 53.200 0.434 25442 4539 1 10 . 1 1 2 2 ALA CB C 2 19.441 19.441 20.083 -0.642 25442 4540 1 10 . 1 1 3 3 MET N N 3 120.791 120.791 122.556 -1.765 25442 4541 1 10 . 1 1 3 3 MET HA H 3 4.499 4.499 4.431 0.068 25442 4542 1 10 . 1 1 3 3 MET CA C 3 55.772 55.772 56.064 -0.292 25442 4543 1 10 . 1 1 3 3 MET CB C 3 32.968 32.968 32.871 0.097 25442 4544 1 10 . 1 1 3 3 MET H H 3 8.636 8.636 8.676 -0.040 25442 4545 1 10 . 1 1 4 4 GLY N N 4 109.879 109.879 106.404 3.475 25442 4546 1 10 . 1 1 4 4 GLY CA C 4 45.531 45.531 44.538 0.993 25442 4547 1 10 . 1 1 4 4 GLY H H 4 8.391 8.391 8.029 0.362 25442 4548 1 10 . 1 1 5 5 ASN N N 5 124.309 124.309 118.566 5.743 25442 4549 1 10 . 1 1 5 5 ASN HA H 5 4.661 4.661 4.565 0.096 25442 4550 1 10 . 1 1 5 5 ASN CA C 5 53.419 53.419 54.212 -0.793 25442 4551 1 10 . 1 1 5 5 ASN CB C 5 39.059 39.059 38.481 0.578 25442 4552 1 10 . 1 1 5 5 ASN H H 5 7.954 7.954 8.648 -0.694 25442 4553 1 10 . 1 1 7 7 TYR N N 7 120.088 120.088 123.713 -3.625 25442 4554 1 10 . 1 1 7 7 TYR HA H 7 4.463 4.463 4.566 -0.103 25442 4555 1 10 . 1 1 7 7 TYR CA C 7 58.098 58.098 58.285 -0.187 25442 4556 1 10 . 1 1 7 7 TYR CB C 7 38.252 38.252 39.585 -1.333 25442 4557 1 10 . 1 1 7 7 TYR H H 7 8.013 8.013 8.146 -0.133 25442 4558 1 10 . 1 1 8 8 LYS N N 8 121.766 121.766 122.673 -0.907 25442 4559 1 10 . 1 1 8 8 LYS HA H 8 4.174 4.174 4.129 0.045 25442 4560 1 10 . 1 1 8 8 LYS CA C 8 56.835 56.835 56.786 0.049 25442 4561 1 10 . 1 1 8 8 LYS CB C 8 32.997 32.997 32.417 0.580 25442 4562 1 10 . 1 1 8 8 LYS H H 8 7.845 7.845 8.274 -0.429 25442 4563 1 10 . 1 1 9 9 ASP N N 9 119.739 119.739 122.009 -2.270 25442 4564 1 10 . 1 1 9 9 ASP HA H 9 4.477 4.477 4.810 -0.333 25442 4565 1 10 . 1 1 9 9 ASP CA C 9 54.660 54.660 53.998 0.662 25442 4566 1 10 . 1 1 9 9 ASP CB C 9 41.100 41.100 40.661 0.439 25442 4567 1 10 . 1 1 9 9 ASP H H 9 8.043 8.043 8.453 -0.410 25442 4568 1 10 . 1 1 10 10 ASN N N 10 119.260 119.260 117.616 1.644 25442 4569 1 10 . 1 1 10 10 ASN HA H 10 4.875 4.875 4.832 0.043 25442 4570 1 10 . 1 1 10 10 ASN CA C 10 53.255 53.255 52.419 0.836 25442 4571 1 10 . 1 1 10 10 ASN CB C 10 39.105 39.105 39.192 -0.087 25442 4572 1 10 . 1 1 10 10 ASN H H 10 8.174 8.174 8.211 -0.037 25442 4573 1 10 . 1 1 11 11 ALA N N 11 122.869 122.869 123.246 -0.377 25442 4574 1 10 . 1 1 11 11 ALA HA H 11 4.544 4.544 4.585 -0.041 25442 4575 1 10 . 1 1 11 11 ALA CA C 11 52.866 52.866 52.163 0.703 25442 4576 1 10 . 1 1 11 11 ALA H H 11 8.299 8.299 8.030 0.269 25442 4577 1 10 . 1 1 12 12 TYR N N 12 117.351 117.351 119.353 -2.002 25442 4578 1 10 . 1 1 12 12 TYR HA H 12 5.220 5.220 5.411 -0.191 25442 4579 1 10 . 1 1 12 12 TYR CA C 12 57.621 57.621 56.414 1.207 25442 4580 1 10 . 1 1 12 12 TYR CB C 12 41.631 41.631 42.661 -1.030 25442 4581 1 10 . 1 1 12 12 TYR H H 12 8.340 8.340 9.023 -0.683 25442 4582 1 10 . 1 1 13 13 ILE N N 13 112.184 112.184 121.546 -9.362 25442 4583 1 10 . 1 1 13 13 ILE HA H 13 5.052 5.052 4.576 0.476 25442 4584 1 10 . 1 1 13 13 ILE CA C 13 59.995 59.995 60.647 -0.652 25442 4585 1 10 . 1 1 13 13 ILE CB C 13 40.418 40.418 38.504 1.914 25442 4586 1 10 . 1 1 13 13 ILE H H 13 9.216 9.216 8.782 0.434 25442 4587 1 10 . 1 1 14 14 TYR N N 14 123.504 123.504 130.548 -7.044 25442 4588 1 10 . 1 1 14 14 TYR HA H 14 4.690 4.690 4.638 0.052 25442 4589 1 10 . 1 1 14 14 TYR CA C 14 56.688 56.688 57.937 -1.249 25442 4590 1 10 . 1 1 14 14 TYR CB C 14 40.564 40.564 39.285 1.279 25442 4591 1 10 . 1 1 14 14 TYR H H 14 9.086 9.086 9.218 -0.132 25442 4592 1 10 . 1 1 15 15 ILE N N 15 127.611 127.611 128.720 -1.109 25442 4593 1 10 . 1 1 15 15 ILE HA H 15 4.288 4.288 4.492 -0.204 25442 4594 1 10 . 1 1 15 15 ILE CA C 15 59.654 59.654 60.122 -0.468 25442 4595 1 10 . 1 1 15 15 ILE CB C 15 40.260 40.260 38.968 1.292 25442 4596 1 10 . 1 1 15 15 ILE H H 15 8.448 8.448 7.392 1.056 25442 4597 1 10 . 1 1 16 16 GLY N N 16 112.660 112.660 112.197 0.463 25442 4598 1 10 . 1 1 16 16 GLY CA C 16 43.240 43.240 43.175 0.065 25442 4599 1 10 . 1 1 16 16 GLY H H 16 9.438 9.438 8.110 1.328 25442 4600 1 10 . 1 1 17 17 ASN N N 17 114.980 114.980 114.589 0.391 25442 4601 1 10 . 1 1 17 17 ASN HA H 17 4.439 4.439 4.384 0.055 25442 4602 1 10 . 1 1 17 17 ASN CA C 17 53.251 53.251 54.160 -0.909 25442 4603 1 10 . 1 1 17 17 ASN CB C 17 38.259 38.259 36.923 1.336 25442 4604 1 10 . 1 1 17 17 ASN H H 17 8.497 8.497 8.795 -0.298 25442 4605 1 10 . 1 1 18 18 LEU N N 18 115.182 115.182 115.439 -0.257 25442 4606 1 10 . 1 1 18 18 LEU HA H 18 4.068 4.068 4.657 -0.589 25442 4607 1 10 . 1 1 18 18 LEU CA C 18 54.073 54.073 53.896 0.177 25442 4608 1 10 . 1 1 18 18 LEU CB C 18 42.912 42.912 43.348 -0.436 25442 4609 1 10 . 1 1 18 18 LEU H H 18 7.859 7.859 7.548 0.311 25442 4610 1 10 . 1 1 19 19 ASN N N 19 122.392 122.392 118.946 3.446 25442 4611 1 10 . 1 1 19 19 ASN HA H 19 4.464 4.464 4.780 -0.316 25442 4612 1 10 . 1 1 19 19 ASN CA C 19 54.087 54.087 51.925 2.162 25442 4613 1 10 . 1 1 19 19 ASN CB C 19 38.703 38.703 39.969 -1.266 25442 4614 1 10 . 1 1 19 19 ASN H H 19 8.727 8.727 8.646 0.081 25442 4615 1 10 . 1 1 20 20 ARG N N 20 126.283 126.283 124.854 1.429 25442 4616 1 10 . 1 1 20 20 ARG HA H 20 3.937 3.937 4.104 -0.167 25442 4617 1 10 . 1 1 20 20 ARG CA C 20 58.719 58.719 58.250 0.469 25442 4618 1 10 . 1 1 20 20 ARG CB C 20 29.719 29.719 29.401 0.318 25442 4619 1 10 . 1 1 20 20 ARG H H 20 8.940 8.940 8.748 0.192 25442 4620 1 10 . 1 1 21 21 GLU N N 21 117.166 117.166 118.035 -0.869 25442 4621 1 10 . 1 1 21 21 GLU HA H 21 4.321 4.321 4.147 0.174 25442 4622 1 10 . 1 1 21 21 GLU CA C 21 56.778 56.778 57.110 -0.332 25442 4623 1 10 . 1 1 21 21 GLU H H 21 8.867 8.867 7.885 0.982 25442 4624 1 10 . 1 1 22 22 LEU N N 22 119.643 119.643 120.042 -0.399 25442 4625 1 10 . 1 1 22 22 LEU HA H 22 4.540 4.540 4.553 -0.014 25442 4626 1 10 . 1 1 22 22 LEU CA C 22 55.505 55.505 54.311 1.194 25442 4627 1 10 . 1 1 22 22 LEU CB C 22 42.251 42.251 42.416 -0.165 25442 4628 1 10 . 1 1 22 22 LEU H H 22 7.324 7.324 7.557 -0.233 25442 4629 1 10 . 1 1 23 23 THR N N 23 114.564 114.564 114.896 -0.332 25442 4630 1 10 . 1 1 23 23 THR HA H 23 4.483 4.483 4.633 -0.150 25442 4631 1 10 . 1 1 23 23 THR CA C 23 60.155 60.155 59.907 0.248 25442 4632 1 10 . 1 1 23 23 THR CB C 23 73.000 73.000 70.899 2.101 25442 4633 1 10 . 1 1 23 23 THR H H 23 9.483 9.483 8.109 1.374 25442 4634 1 10 . 1 1 24 24 GLU N N 24 120.458 120.458 121.131 -0.673 25442 4635 1 10 . 1 1 24 24 GLU HA H 24 3.604 3.604 4.110 -0.506 25442 4636 1 10 . 1 1 24 24 GLU CA C 24 62.158 62.158 60.249 1.909 25442 4637 1 10 . 1 1 24 24 GLU H H 24 10.410 10.410 8.948 1.462 25442 4638 1 10 . 1 1 25 25 GLY N N 25 105.261 105.261 106.773 -1.512 25442 4639 1 10 . 1 1 25 25 GLY CA C 25 47.219 47.219 47.056 0.163 25442 4640 1 10 . 1 1 25 25 GLY H H 25 8.402 8.402 8.630 -0.228 25442 4641 1 10 . 1 1 26 26 ASP N N 26 122.820 122.820 122.964 -0.144 25442 4642 1 10 . 1 1 26 26 ASP HA H 26 4.515 4.515 4.456 0.059 25442 4643 1 10 . 1 1 26 26 ASP CA C 26 58.005 58.005 57.132 0.873 25442 4644 1 10 . 1 1 26 26 ASP CB C 26 41.261 41.261 40.567 0.694 25442 4645 1 10 . 1 1 26 26 ASP H H 26 7.539 7.539 7.701 -0.162 25442 4646 1 10 . 1 1 27 27 ILE N N 27 118.686 118.686 120.552 -1.866 25442 4647 1 10 . 1 1 27 27 ILE HA H 27 3.609 3.609 3.808 -0.199 25442 4648 1 10 . 1 1 27 27 ILE CA C 27 65.348 65.348 65.297 0.051 25442 4649 1 10 . 1 1 27 27 ILE CB C 27 37.789 37.789 38.016 -0.227 25442 4650 1 10 . 1 1 27 27 ILE H H 27 7.832 7.832 7.906 -0.074 25442 4651 1 10 . 1 1 28 28 LEU N N 28 119.737 119.737 120.857 -1.120 25442 4652 1 10 . 1 1 28 28 LEU HA H 28 3.790 3.790 3.896 -0.106 25442 4653 1 10 . 1 1 28 28 LEU CA C 28 59.040 59.040 58.667 0.373 25442 4654 1 10 . 1 1 28 28 LEU CB C 28 42.520 42.520 41.627 0.893 25442 4655 1 10 . 1 1 28 28 LEU H H 28 8.731 8.731 8.340 0.391 25442 4656 1 10 . 1 1 29 29 THR N N 29 119.509 119.509 115.660 3.849 25442 4657 1 10 . 1 1 29 29 THR HA H 29 4.045 4.045 3.919 0.126 25442 4658 1 10 . 1 1 29 29 THR CA C 29 67.196 67.196 67.347 -0.150 25442 4659 1 10 . 1 1 29 29 THR CB C 29 69.194 69.194 68.763 0.431 25442 4660 1 10 . 1 1 29 29 THR H H 29 8.251 8.251 8.001 0.250 25442 4661 1 10 . 1 1 30 30 VAL N N 30 117.974 117.974 121.166 -3.192 25442 4662 1 10 . 1 1 30 30 VAL HA H 30 3.869 3.869 3.758 0.111 25442 4663 1 10 . 1 1 30 30 VAL CA C 30 65.727 65.727 66.088 -0.361 25442 4664 1 10 . 1 1 30 30 VAL CB C 30 32.912 32.912 32.076 0.836 25442 4665 1 10 . 1 1 30 30 VAL H H 30 7.627 7.627 7.836 -0.209 25442 4666 1 10 . 1 1 31 31 PHE N N 31 113.937 113.937 115.394 -1.457 25442 4667 1 10 . 1 1 31 31 PHE HA H 31 3.908 3.908 4.735 -0.827 25442 4668 1 10 . 1 1 31 31 PHE CA C 31 62.044 62.044 59.517 2.527 25442 4669 1 10 . 1 1 31 31 PHE CB C 31 37.217 37.217 39.376 -2.159 25442 4670 1 10 . 1 1 31 31 PHE H H 31 8.903 8.903 8.407 0.496 25442 4671 1 10 . 1 1 32 32 SER N N 32 118.854 118.854 117.258 1.596 25442 4672 1 10 . 1 1 32 32 SER HA H 32 5.405 5.405 4.094 1.311 25442 4673 1 10 . 1 1 32 32 SER CA C 32 61.282 61.282 62.426 -1.144 25442 4674 1 10 . 1 1 32 32 SER CB C 32 64.055 64.055 62.969 1.086 25442 4675 1 10 . 1 1 32 32 SER H H 32 8.024 8.024 8.583 -0.559 25442 4676 1 10 . 1 1 33 33 GLU N N 33 121.203 121.203 119.276 1.927 25442 4677 1 10 . 1 1 33 33 GLU HA H 33 2.246 2.246 3.966 -1.720 25442 4678 1 10 . 1 1 33 33 GLU CA C 33 59.596 59.596 57.985 1.611 25442 4679 1 10 . 1 1 33 33 GLU H H 33 6.935 6.935 8.021 -1.086 25442 4680 1 10 . 1 1 34 34 TYR N N 34 108.039 108.039 119.135 -11.096 25442 4681 1 10 . 1 1 34 34 TYR HA H 34 4.953 4.953 4.583 0.370 25442 4682 1 10 . 1 1 34 34 TYR CA C 34 57.226 57.226 56.091 1.135 25442 4683 1 10 . 1 1 34 34 TYR CB C 34 38.821 38.821 37.738 1.083 25442 4684 1 10 . 1 1 34 34 TYR H H 34 6.254 6.254 7.399 -1.145 25442 4685 1 10 . 1 1 35 35 GLY N N 35 103.601 103.601 107.653 -4.052 25442 4686 1 10 . 1 1 35 35 GLY CA C 35 44.594 44.594 44.382 0.212 25442 4687 1 10 . 1 1 35 35 GLY H H 35 7.247 7.247 7.438 -0.191 25442 4688 1 10 . 1 1 36 36 VAL N N 36 120.482 120.482 122.584 -2.102 25442 4689 1 10 . 1 1 36 36 VAL HA H 36 4.537 4.537 4.148 0.389 25442 4690 1 10 . 1 1 36 36 VAL CA C 36 59.942 59.942 61.491 -1.549 25442 4691 1 10 . 1 1 36 36 VAL CB C 36 33.989 33.989 33.180 0.809 25442 4692 1 10 . 1 1 36 36 VAL H H 36 8.549 8.549 7.669 0.880 25442 4693 1 10 . 1 1 37 37 PRO HA H 37 4.543 4.543 4.686 -0.143 25442 4694 1 10 . 1 1 37 37 PRO CA C 37 62.043 62.043 63.293 -1.250 25442 4695 1 10 . 1 1 37 37 PRO CB C 37 31.531 31.531 32.366 -0.835 25442 4696 1 10 . 1 1 38 38 VAL N N 38 118.566 118.566 117.324 1.242 25442 4697 1 10 . 1 1 38 38 VAL HA H 38 4.439 4.439 4.238 0.201 25442 4698 1 10 . 1 1 38 38 VAL CA C 38 61.064 61.064 63.030 -1.966 25442 4699 1 10 . 1 1 38 38 VAL CB C 38 32.842 32.842 32.443 0.399 25442 4700 1 10 . 1 1 38 38 VAL H H 38 9.099 9.099 8.213 0.886 25442 4701 1 10 . 1 1 39 39 ASP N N 39 118.912 118.912 120.117 -1.205 25442 4702 1 10 . 1 1 39 39 ASP HA H 39 4.920 4.920 4.818 0.102 25442 4703 1 10 . 1 1 39 39 ASP CA C 39 54.860 54.860 54.117 0.743 25442 4704 1 10 . 1 1 39 39 ASP CB C 39 44.441 44.441 44.901 -0.460 25442 4705 1 10 . 1 1 39 39 ASP H H 39 7.300 7.300 7.807 -0.507 25442 4706 1 10 . 1 1 40 40 VAL N N 40 123.365 123.365 121.945 1.420 25442 4707 1 10 . 1 1 40 40 VAL HA H 40 4.759 4.759 4.464 0.295 25442 4708 1 10 . 1 1 40 40 VAL CA C 40 61.259 61.259 61.004 0.255 25442 4709 1 10 . 1 1 40 40 VAL CB C 40 34.464 34.464 33.197 1.267 25442 4710 1 10 . 1 1 40 40 VAL H H 40 8.052 8.052 8.471 -0.419 25442 4711 1 10 . 1 1 41 41 ILE N N 41 127.951 127.951 129.150 -1.199 25442 4712 1 10 . 1 1 41 41 ILE HA H 41 4.361 4.361 4.353 0.008 25442 4713 1 10 . 1 1 41 41 ILE CA C 41 60.204 60.204 60.703 -0.499 25442 4714 1 10 . 1 1 41 41 ILE CB C 41 41.220 41.220 38.893 2.327 25442 4715 1 10 . 1 1 41 41 ILE H H 41 9.031 9.031 8.334 0.697 25442 4716 1 10 . 1 1 42 42 LEU N N 42 130.034 130.034 128.557 1.477 25442 4717 1 10 . 1 1 42 42 LEU HA H 42 4.415 4.415 4.447 -0.032 25442 4718 1 10 . 1 1 42 42 LEU CA C 42 53.832 53.832 53.997 -0.165 25442 4719 1 10 . 1 1 42 42 LEU CB C 42 44.353 44.353 43.376 0.977 25442 4720 1 10 . 1 1 42 42 LEU H H 42 8.935 8.935 8.615 0.320 25442 4721 1 10 . 1 1 43 43 SER N N 43 121.977 121.977 121.109 0.868 25442 4722 1 10 . 1 1 43 43 SER HA H 43 4.092 4.092 4.462 -0.370 25442 4723 1 10 . 1 1 43 43 SER CA C 43 59.298 59.298 58.630 0.668 25442 4724 1 10 . 1 1 43 43 SER CB C 43 62.879 62.879 63.585 -0.706 25442 4725 1 10 . 1 1 43 43 SER H H 43 8.088 8.088 7.955 0.133 25442 4726 1 10 . 1 1 44 44 ARG N N 44 125.852 125.852 123.675 2.177 25442 4727 1 10 . 1 1 44 44 ARG HA H 44 4.906 4.906 4.441 0.465 25442 4728 1 10 . 1 1 44 44 ARG CA C 44 54.363 54.363 55.751 -1.388 25442 4729 1 10 . 1 1 44 44 ARG CB C 44 34.095 34.095 33.033 1.062 25442 4730 1 10 . 1 1 44 44 ARG H H 44 8.081 8.081 8.333 -0.252 25442 4731 1 10 . 1 1 45 45 ASP N N 45 123.150 123.150 127.111 -3.961 25442 4732 1 10 . 1 1 45 45 ASP HA H 45 4.425 4.425 4.932 -0.507 25442 4733 1 10 . 1 1 45 45 ASP CA C 45 54.728 54.728 53.856 0.872 25442 4734 1 10 . 1 1 45 45 ASP CB C 45 43.318 43.318 42.004 1.314 25442 4735 1 10 . 1 1 45 45 ASP H H 45 8.594 8.594 8.524 0.070 25442 4736 1 10 . 1 1 46 46 GLU N N 46 127.786 127.786 123.888 3.898 25442 4737 1 10 . 1 1 46 46 GLU HA H 46 4.048 4.048 4.033 0.015 25442 4738 1 10 . 1 1 46 46 GLU CA C 46 59.018 59.018 58.914 0.104 25442 4739 1 10 . 1 1 46 46 GLU CB C 46 29.870 29.870 29.205 0.665 25442 4740 1 10 . 1 1 46 46 GLU H H 46 9.250 9.250 8.922 0.328 25442 4741 1 10 . 1 1 47 47 ASN N N 47 116.105 116.105 117.877 -1.772 25442 4742 1 10 . 1 1 47 47 ASN HA H 47 4.825 4.825 4.564 0.261 25442 4743 1 10 . 1 1 47 47 ASN CA C 47 55.321 55.321 55.337 -0.016 25442 4744 1 10 . 1 1 47 47 ASN CB C 47 39.927 39.927 38.328 1.599 25442 4745 1 10 . 1 1 47 47 ASN H H 47 8.857 8.857 8.291 0.566 25442 4746 1 10 . 1 1 48 48 THR N N 48 108.395 108.395 107.619 0.776 25442 4747 1 10 . 1 1 48 48 THR HA H 48 4.461 4.461 4.495 -0.034 25442 4748 1 10 . 1 1 48 48 THR CA C 48 61.883 61.883 62.087 -0.204 25442 4749 1 10 . 1 1 48 48 THR CB C 48 71.194 71.194 70.694 0.500 25442 4750 1 10 . 1 1 48 48 THR H H 48 8.539 8.539 7.617 0.922 25442 4751 1 10 . 1 1 49 49 GLY N N 49 110.910 110.910 112.162 -1.252 25442 4752 1 10 . 1 1 49 49 GLY CA C 49 45.706 45.706 45.463 0.243 25442 4753 1 10 . 1 1 49 49 GLY H H 49 8.293 8.293 8.568 -0.275 25442 4754 1 10 . 1 1 50 50 GLU N N 50 120.328 120.328 119.231 1.097 25442 4755 1 10 . 1 1 50 50 GLU HA H 50 4.162 4.162 4.841 -0.679 25442 4756 1 10 . 1 1 50 50 GLU CA C 50 56.540 56.540 54.545 1.995 25442 4757 1 10 . 1 1 50 50 GLU CB C 50 30.948 30.948 32.798 -1.850 25442 4758 1 10 . 1 1 50 50 GLU H H 50 7.854 7.854 8.014 -0.160 25442 4759 1 10 . 1 1 51 51 SER N N 51 117.235 117.235 112.771 4.464 25442 4760 1 10 . 1 1 51 51 SER HA H 51 4.391 4.391 4.892 -0.501 25442 4761 1 10 . 1 1 51 51 SER CA C 51 58.361 58.361 57.272 1.089 25442 4762 1 10 . 1 1 51 51 SER CB C 51 64.438 64.438 65.488 -1.050 25442 4763 1 10 . 1 1 51 51 SER H H 51 8.950 8.950 8.220 0.730 25442 4764 1 10 . 1 1 52 52 GLN N N 52 122.996 122.996 122.465 0.531 25442 4765 1 10 . 1 1 52 52 GLN HA H 52 4.516 4.516 4.256 0.260 25442 4766 1 10 . 1 1 52 52 GLN CA C 52 55.406 55.406 57.295 -1.889 25442 4767 1 10 . 1 1 52 52 GLN CB C 52 29.624 29.624 29.026 0.598 25442 4768 1 10 . 1 1 52 52 GLN H H 52 8.929 8.929 8.958 -0.029 25442 4769 1 10 . 1 1 53 53 GLY N N 53 106.139 106.139 106.429 -0.290 25442 4770 1 10 . 1 1 53 53 GLY CA C 53 46.434 46.434 44.565 1.869 25442 4771 1 10 . 1 1 53 53 GLY H H 53 8.876 8.876 8.777 0.099 25442 4772 1 10 . 1 1 54 54 PHE N N 54 112.294 112.294 115.677 -3.383 25442 4773 1 10 . 1 1 54 54 PHE HA H 54 5.436 5.436 5.456 -0.020 25442 4774 1 10 . 1 1 54 54 PHE CA C 54 55.464 55.464 53.859 1.605 25442 4775 1 10 . 1 1 54 54 PHE CB C 54 41.207 41.207 40.919 0.288 25442 4776 1 10 . 1 1 54 54 PHE H H 54 6.938 6.938 7.597 -0.659 25442 4777 1 10 . 1 1 55 55 ALA N N 55 121.935 121.935 121.322 0.613 25442 4778 1 10 . 1 1 55 55 ALA HA H 55 5.051 5.051 4.268 0.783 25442 4779 1 10 . 1 1 55 55 ALA CA C 55 49.517 49.517 51.209 -1.692 25442 4780 1 10 . 1 1 55 55 ALA CB C 55 24.966 24.966 22.079 2.887 25442 4781 1 10 . 1 1 55 55 ALA H H 55 9.098 9.098 7.582 1.516 25442 4782 1 10 . 1 1 56 56 TYR N N 56 114.799 114.799 117.546 -2.747 25442 4783 1 10 . 1 1 56 56 TYR HA H 56 5.652 5.652 5.087 0.565 25442 4784 1 10 . 1 1 56 56 TYR CA C 56 56.128 56.128 57.090 -0.962 25442 4785 1 10 . 1 1 56 56 TYR CB C 56 42.405 42.405 41.090 1.315 25442 4786 1 10 . 1 1 56 56 TYR H H 56 8.572 8.572 8.438 0.134 25442 4787 1 10 . 1 1 57 57 LEU N N 57 123.129 123.129 122.264 0.865 25442 4788 1 10 . 1 1 57 57 LEU HA H 57 5.100 5.100 4.756 0.344 25442 4789 1 10 . 1 1 57 57 LEU CA C 57 54.552 54.552 54.152 0.400 25442 4790 1 10 . 1 1 57 57 LEU H H 57 8.600 8.600 8.584 0.016 25442 4791 1 10 . 1 1 58 58 LYS N N 58 126.556 126.556 125.461 1.095 25442 4792 1 10 . 1 1 58 58 LYS HA H 58 4.553 4.553 4.601 -0.048 25442 4793 1 10 . 1 1 58 58 LYS CA C 58 54.518 54.518 55.081 -0.563 25442 4794 1 10 . 1 1 58 58 LYS CB C 58 36.254 36.254 35.095 1.159 25442 4795 1 10 . 1 1 58 58 LYS H H 58 8.389 8.389 8.408 -0.019 25442 4796 1 10 . 1 1 59 59 TYR N N 59 126.761 126.761 126.372 0.389 25442 4797 1 10 . 1 1 59 59 TYR HA H 59 5.061 5.061 4.623 0.438 25442 4798 1 10 . 1 1 59 59 TYR CA C 59 58.271 58.271 56.977 1.294 25442 4799 1 10 . 1 1 59 59 TYR H H 59 9.035 9.035 8.748 0.287 25442 4800 1 10 . 1 1 60 60 GLU N N 60 120.097 120.097 119.777 0.320 25442 4801 1 10 . 1 1 60 60 GLU HA H 60 3.890 3.890 3.902 -0.012 25442 4802 1 10 . 1 1 60 60 GLU CA C 60 59.244 59.244 58.314 0.930 25442 4803 1 10 . 1 1 60 60 GLU CB C 60 31.145 31.145 29.724 1.421 25442 4804 1 10 . 1 1 60 60 GLU H H 60 8.796 8.796 7.186 1.610 25442 4805 1 10 . 1 1 61 61 ASP N N 61 117.697 117.697 118.173 -0.476 25442 4806 1 10 . 1 1 61 61 ASP HA H 61 4.842 4.842 4.822 0.020 25442 4807 1 10 . 1 1 61 61 ASP CA C 61 51.550 51.550 52.810 -1.260 25442 4808 1 10 . 1 1 61 61 ASP CB C 61 43.258 43.258 41.758 1.500 25442 4809 1 10 . 1 1 61 61 ASP H H 61 8.006 8.006 8.026 -0.020 25442 4810 1 10 . 1 1 62 62 GLN N N 62 126.321 126.321 125.711 0.610 25442 4811 1 10 . 1 1 62 62 GLN HA H 62 4.223 4.223 4.043 0.180 25442 4812 1 10 . 1 1 62 62 GLN CA C 62 58.637 58.637 58.458 0.179 25442 4813 1 10 . 1 1 62 62 GLN CB C 62 27.994 27.994 28.550 -0.556 25442 4814 1 10 . 1 1 62 62 GLN H H 62 9.053 9.053 8.954 0.099 25442 4815 1 10 . 1 1 63 63 ARG N N 63 121.086 121.086 119.247 1.839 25442 4816 1 10 . 1 1 63 63 ARG HA H 63 3.654 3.654 4.153 -0.499 25442 4817 1 10 . 1 1 63 63 ARG CA C 63 58.971 58.971 58.087 0.884 25442 4818 1 10 . 1 1 63 63 ARG H H 63 8.960 8.960 9.202 -0.242 25442 4819 1 10 . 1 1 64 64 SER N N 64 114.891 114.891 115.003 -0.112 25442 4820 1 10 . 1 1 64 64 SER HA H 64 3.704 3.704 4.270 -0.566 25442 4821 1 10 . 1 1 64 64 SER CA C 64 63.589 63.589 61.984 1.605 25442 4822 1 10 . 1 1 64 64 SER H H 64 8.143 8.143 8.438 -0.295 25442 4823 1 10 . 1 1 65 65 THR N N 65 111.019 111.019 116.739 -5.720 25442 4824 1 10 . 1 1 65 65 THR HA H 65 3.765 3.765 4.123 -0.358 25442 4825 1 10 . 1 1 65 65 THR CA C 65 66.198 66.198 65.986 0.212 25442 4826 1 10 . 1 1 65 65 THR CB C 65 68.461 68.461 68.600 -0.139 25442 4827 1 10 . 1 1 65 65 THR H H 65 7.633 7.633 7.728 -0.095 25442 4828 1 10 . 1 1 66 66 ILE N N 66 123.242 123.242 122.442 0.800 25442 4829 1 10 . 1 1 66 66 ILE HA H 66 3.673 3.673 3.825 -0.152 25442 4830 1 10 . 1 1 66 66 ILE CA C 66 64.506 64.506 65.249 -0.743 25442 4831 1 10 . 1 1 66 66 ILE CB C 66 38.668 38.668 37.534 1.134 25442 4832 1 10 . 1 1 66 66 ILE H H 66 6.648 6.648 7.597 -0.949 25442 4833 1 10 . 1 1 67 67 LEU N N 67 113.375 113.375 119.837 -6.462 25442 4834 1 10 . 1 1 67 67 LEU HA H 67 3.627 3.627 3.846 -0.219 25442 4835 1 10 . 1 1 67 67 LEU CA C 67 57.678 57.678 57.950 -0.272 25442 4836 1 10 . 1 1 67 67 LEU CB C 67 41.866 41.866 41.456 0.409 25442 4837 1 10 . 1 1 67 67 LEU H H 67 6.899 6.899 7.283 -0.384 25442 4838 1 10 . 1 1 68 68 ALA N N 68 120.327 120.327 120.920 -0.593 25442 4839 1 10 . 1 1 68 68 ALA HA H 68 3.406 3.406 3.478 -0.072 25442 4840 1 10 . 1 1 68 68 ALA CA C 68 55.643 55.643 54.680 0.963 25442 4841 1 10 . 1 1 68 68 ALA CB C 68 19.395 19.395 18.230 1.165 25442 4842 1 10 . 1 1 68 68 ALA H H 68 8.201 8.201 7.605 0.596 25442 4843 1 10 . 1 1 69 69 VAL N N 69 118.977 118.977 119.990 -1.013 25442 4844 1 10 . 1 1 69 69 VAL HA H 69 3.221 3.221 3.420 -0.199 25442 4845 1 10 . 1 1 69 69 VAL CA C 69 67.039 67.039 67.276 -0.237 25442 4846 1 10 . 1 1 69 69 VAL CB C 69 31.896 31.896 31.588 0.308 25442 4847 1 10 . 1 1 69 69 VAL H H 69 8.235 8.235 8.343 -0.108 25442 4848 1 10 . 1 1 70 70 ASP N N 70 116.894 116.894 118.026 -1.132 25442 4849 1 10 . 1 1 70 70 ASP HA H 70 3.941 3.941 4.280 -0.339 25442 4850 1 10 . 1 1 70 70 ASP CA C 70 57.576 57.576 56.984 0.592 25442 4851 1 10 . 1 1 70 70 ASP CB C 70 39.037 39.037 40.780 -1.743 25442 4852 1 10 . 1 1 70 70 ASP H H 70 8.152 8.152 7.945 0.207 25442 4853 1 10 . 1 1 71 71 ASN N N 71 110.936 110.936 116.236 -5.300 25442 4854 1 10 . 1 1 71 71 ASN HA H 71 5.009 5.009 4.346 0.663 25442 4855 1 10 . 1 1 71 71 ASN CA C 71 55.710 55.710 55.141 0.569 25442 4856 1 10 . 1 1 71 71 ASN CB C 71 42.091 42.091 38.361 3.730 25442 4857 1 10 . 1 1 71 71 ASN H H 71 7.562 7.562 7.580 -0.018 25442 4858 1 10 . 1 1 72 72 LEU N N 72 116.460 116.460 116.858 -0.398 25442 4859 1 10 . 1 1 72 72 LEU HA H 72 4.686 4.686 4.319 0.367 25442 4860 1 10 . 1 1 72 72 LEU CA C 72 54.411 54.411 54.936 -0.525 25442 4861 1 10 . 1 1 72 72 LEU CB C 72 42.477 42.477 42.424 0.053 25442 4862 1 10 . 1 1 72 72 LEU H H 72 8.406 8.406 7.906 0.500 25442 4863 1 10 . 1 1 73 73 ASN N N 73 118.618 118.618 118.265 0.353 25442 4864 1 10 . 1 1 73 73 ASN HA H 73 4.419 4.419 4.584 -0.165 25442 4865 1 10 . 1 1 73 73 ASN CA C 73 56.716 56.716 54.472 2.244 25442 4866 1 10 . 1 1 73 73 ASN CB C 73 39.452 39.452 38.796 0.656 25442 4867 1 10 . 1 1 73 73 ASN H H 73 6.956 6.956 8.003 -1.047 25442 4868 1 10 . 1 1 74 74 GLY N N 74 116.095 116.095 113.964 2.131 25442 4869 1 10 . 1 1 74 74 GLY CA C 74 45.912 45.912 45.198 0.714 25442 4870 1 10 . 1 1 74 74 GLY H H 74 9.379 9.379 8.416 0.963 25442 4871 1 10 . 1 1 75 75 PHE N N 75 123.354 123.354 122.936 0.418 25442 4872 1 10 . 1 1 75 75 PHE HA H 75 4.311 4.311 4.653 -0.342 25442 4873 1 10 . 1 1 75 75 PHE CA C 75 58.979 58.979 55.790 3.189 25442 4874 1 10 . 1 1 75 75 PHE CB C 75 41.709 41.709 40.983 0.725 25442 4875 1 10 . 1 1 75 75 PHE H H 75 8.211 8.211 7.621 0.590 25442 4876 1 10 . 1 1 76 76 LYS N N 76 127.267 127.267 127.790 -0.523 25442 4877 1 10 . 1 1 76 76 LYS HA H 76 4.598 4.598 4.341 0.257 25442 4878 1 10 . 1 1 76 76 LYS CA C 76 56.529 56.529 55.757 0.772 25442 4879 1 10 . 1 1 76 76 LYS CB C 76 33.073 33.073 32.821 0.253 25442 4880 1 10 . 1 1 76 76 LYS H H 76 7.648 7.648 8.255 -0.607 25442 4881 1 10 . 1 1 77 77 ILE N N 77 121.576 121.576 126.600 -5.024 25442 4882 1 10 . 1 1 77 77 ILE HA H 77 4.406 4.406 4.057 0.349 25442 4883 1 10 . 1 1 77 77 ILE CA C 77 60.214 60.214 60.559 -0.345 25442 4884 1 10 . 1 1 77 77 ILE CB C 77 40.048 40.048 40.004 0.044 25442 4885 1 10 . 1 1 77 77 ILE H H 77 8.100 8.100 8.598 -0.498 25442 4886 1 10 . 1 1 78 78 GLY CA C 78 47.118 47.118 46.051 1.067 25442 4887 1 10 . 1 1 79 79 GLY CA C 79 45.171 45.171 44.763 0.408 25442 4888 1 10 . 1 1 80 80 ARG N N 80 119.377 119.377 120.436 -1.059 25442 4889 1 10 . 1 1 80 80 ARG HA H 80 4.650 4.650 4.734 -0.084 25442 4890 1 10 . 1 1 80 80 ARG CA C 80 54.849 54.849 54.136 0.713 25442 4891 1 10 . 1 1 80 80 ARG CB C 80 33.411 33.411 33.751 -0.340 25442 4892 1 10 . 1 1 80 80 ARG H H 80 7.379 7.379 7.748 -0.369 25442 4893 1 10 . 1 1 81 81 ALA N N 81 126.782 126.782 125.578 1.204 25442 4894 1 10 . 1 1 81 81 ALA HA H 81 4.137 4.137 4.713 -0.576 25442 4895 1 10 . 1 1 81 81 ALA CA C 81 51.454 51.454 51.242 0.212 25442 4896 1 10 . 1 1 81 81 ALA CB C 81 19.131 19.131 19.544 -0.413 25442 4897 1 10 . 1 1 81 81 ALA H H 81 8.734 8.734 8.425 0.309 25442 4898 1 10 . 1 1 82 82 LEU N N 82 125.769 125.769 125.580 0.189 25442 4899 1 10 . 1 1 82 82 LEU HA H 82 4.390 4.390 4.212 0.178 25442 4900 1 10 . 1 1 82 82 LEU CA C 82 56.196 56.196 56.103 0.093 25442 4901 1 10 . 1 1 82 82 LEU CB C 82 43.362 43.362 43.022 0.340 25442 4902 1 10 . 1 1 82 82 LEU H H 82 8.736 8.736 7.982 0.754 25442 4903 1 10 . 1 1 83 83 LYS N N 83 123.851 123.851 125.427 -1.576 25442 4904 1 10 . 1 1 83 83 LYS HA H 83 5.005 5.005 4.613 0.392 25442 4905 1 10 . 1 1 83 83 LYS CA C 83 54.790 54.790 54.980 -0.190 25442 4906 1 10 . 1 1 83 83 LYS CB C 83 34.212 34.212 33.391 0.821 25442 4907 1 10 . 1 1 83 83 LYS H H 83 7.838 7.838 7.982 -0.144 25442 4908 1 10 . 1 1 84 84 ILE N N 84 125.629 125.629 126.818 -1.189 25442 4909 1 10 . 1 1 84 84 ILE HA H 84 5.576 5.576 5.017 0.559 25442 4910 1 10 . 1 1 84 84 ILE CA C 84 58.513 58.513 58.938 -0.425 25442 4911 1 10 . 1 1 84 84 ILE CB C 84 40.310 40.310 37.660 2.650 25442 4912 1 10 . 1 1 84 84 ILE H H 84 8.727 8.727 8.430 0.297 25442 4913 1 10 . 1 1 85 85 ASP N N 85 124.427 124.427 127.652 -3.225 25442 4914 1 10 . 1 1 85 85 ASP HA H 85 5.094 5.094 4.877 0.217 25442 4915 1 10 . 1 1 85 85 ASP CA C 85 52.697 52.697 52.522 0.175 25442 4916 1 10 . 1 1 85 85 ASP CB C 85 45.574 45.574 44.408 1.165 25442 4917 1 10 . 1 1 85 85 ASP H H 85 8.960 8.960 8.529 0.431 25442 4918 1 10 . 1 1 86 86 HIS N N 86 121.356 121.356 122.087 -0.731 25442 4919 1 10 . 1 1 86 86 HIS HA H 86 4.635 4.635 5.068 -0.433 25442 4920 1 10 . 1 1 86 86 HIS CA C 86 58.158 58.158 56.991 1.167 25442 4921 1 10 . 1 1 86 86 HIS CB C 86 31.368 31.368 31.224 0.143 25442 4922 1 10 . 1 1 86 86 HIS H H 86 8.783 8.783 8.679 0.104 25442 4923 1 10 . 1 1 87 87 THR N N 87 114.331 114.331 116.987 -2.656 25442 4924 1 10 . 1 1 87 87 THR HA H 87 4.691 4.691 4.661 0.030 25442 4925 1 10 . 1 1 87 87 THR CA C 87 60.890 60.890 61.037 -0.147 25442 4926 1 10 . 1 1 87 87 THR CB C 87 70.215 70.215 70.340 -0.125 25442 4927 1 10 . 1 1 87 87 THR H H 87 8.032 8.032 9.102 -1.070 25442 4928 1 10 . 1 1 88 88 PHE N N 88 118.673 118.673 120.269 -1.596 25442 4929 1 10 . 1 1 88 88 PHE HA H 88 4.305 4.305 5.255 -0.950 25442 4930 1 10 . 1 1 88 88 PHE CA C 88 58.926 58.926 55.396 3.530 25442 4931 1 10 . 1 1 88 88 PHE CB C 88 39.673 39.673 38.000 1.673 25442 4932 1 10 . 1 1 88 88 PHE H H 88 8.233 8.233 7.851 0.382 25442 4933 1 10 . 1 1 89 89 TYR N N 89 124.182 124.182 119.676 4.506 25442 4934 1 10 . 1 1 89 89 TYR HA H 89 4.193 4.193 4.212 -0.019 25442 4935 1 10 . 1 1 89 89 TYR CA C 89 58.510 58.510 56.872 1.638 25442 4936 1 10 . 1 1 89 89 TYR CB C 89 39.993 39.993 38.907 1.086 25442 4937 1 10 . 1 1 89 89 TYR H H 89 8.246 8.246 7.581 0.665 25442 4938 1 10 . 1 1 90 90 ARG N N 90 125.111 125.111 125.401 -0.290 25442 4939 1 10 . 1 1 90 90 ARG HA H 90 4.219 4.219 4.123 0.096 25442 4940 1 10 . 1 1 90 90 ARG CA C 90 52.511 52.511 54.163 -1.652 25442 4941 1 10 . 1 1 90 90 ARG CB C 90 31.298 31.298 29.517 1.781 25442 4942 1 10 . 1 1 90 90 ARG H H 90 7.223 7.223 8.284 -1.061 25442 4943 1 10 . 1 1 91 91 PRO HA H 91 4.028 4.028 3.892 0.136 25442 4944 1 10 . 1 1 91 91 PRO CA C 91 62.759 62.759 62.792 -0.033 25442 4945 1 10 . 1 1 91 91 PRO CB C 91 32.074 32.074 31.813 0.261 25442 4946 1 10 . 1 1 94 94 SER HA H 94 4.466 4.466 4.854 -0.388 25442 4947 1 10 . 1 1 94 94 SER CA C 94 58.273 58.273 57.971 0.302 25442 4948 1 10 . 1 1 94 94 SER CB C 94 63.656 63.656 64.668 -1.012 25442 4949 1 10 . 1 1 95 95 LEU HA H 95 4.369 4.369 4.562 -0.193 25442 4950 1 10 . 1 1 95 95 LEU CA C 95 55.482 55.482 55.953 -0.471 25442 4951 1 10 . 1 1 95 95 LEU CB C 95 42.350 42.350 43.418 -1.068 25442 4952 1 10 . 1 1 97 97 LYS HA H 97 4.197 4.197 4.097 0.100 25442 4953 1 10 . 1 1 97 97 LYS CA C 97 56.923 56.923 59.213 -2.290 25442 4954 1 10 . 1 1 97 97 LYS CB C 97 32.936 32.936 31.640 1.296 25442 4955 1 10 . 1 1 98 98 TYR N N 98 120.486 120.486 120.911 -0.425 25442 4956 1 10 . 1 1 98 98 TYR HA H 98 4.477 4.477 4.259 0.218 25442 4957 1 10 . 1 1 98 98 TYR CA C 98 58.249 58.249 59.827 -1.578 25442 4958 1 10 . 1 1 98 98 TYR CB C 98 38.659 38.659 38.018 0.641 25442 4959 1 10 . 1 1 98 98 TYR H H 98 7.979 7.979 8.000 -0.021 25442 4960 1 10 . 1 1 99 99 TYR N N 99 120.784 120.784 119.924 0.860 25442 4961 1 10 . 1 1 99 99 TYR HA H 99 4.455 4.455 3.770 0.685 25442 4962 1 10 . 1 1 99 99 TYR CA C 99 58.281 58.281 62.007 -3.726 25442 4963 1 10 . 1 1 99 99 TYR CB C 99 38.902 38.902 38.430 0.472 25442 4964 1 10 . 1 1 99 99 TYR H H 99 7.918 7.918 8.465 -0.547 25442 4965 1 10 . 1 1 100 100 GLU N N 100 122.033 122.033 117.048 4.985 25442 4966 1 10 . 1 1 100 100 GLU HA H 100 4.171 4.171 3.843 0.328 25442 4967 1 10 . 1 1 100 100 GLU CA C 100 56.766 56.766 58.583 -1.817 25442 4968 1 10 . 1 1 100 100 GLU H H 100 8.055 8.055 7.874 0.181 25442 4969 1 10 . 1 1 101 101 ALA N N 101 124.629 124.629 121.562 3.067 25442 4970 1 10 . 1 1 101 101 ALA HA H 101 4.283 4.283 4.292 -0.009 25442 4971 1 10 . 1 1 101 101 ALA CA C 101 52.795 52.795 53.598 -0.803 25442 4972 1 10 . 1 1 101 101 ALA CB C 101 19.150 19.150 18.628 0.522 25442 4973 1 10 . 1 1 101 101 ALA H H 101 8.040 8.040 7.410 0.630 25442 4974 1 10 . 1 1 102 102 VAL N N 102 119.031 119.031 116.816 2.215 25442 4975 1 10 . 1 1 102 102 VAL HA H 102 4.039 4.039 3.349 0.690 25442 4976 1 10 . 1 1 102 102 VAL CA C 102 62.675 62.675 64.712 -2.037 25442 4977 1 10 . 1 1 102 102 VAL CB C 102 32.610 32.610 31.754 0.856 25442 4978 1 10 . 1 1 102 102 VAL H H 102 7.960 7.960 7.582 0.378 25442 4979 1 10 . 1 1 103 103 LYS N N 103 124.562 124.562 115.626 8.936 25442 4980 1 10 . 1 1 103 103 LYS HA H 103 4.258 4.258 4.281 -0.023 25442 4981 1 10 . 1 1 103 103 LYS CA C 103 56.797 56.797 56.556 0.241 25442 4982 1 10 . 1 1 103 103 LYS CB C 103 33.012 33.012 34.792 -1.780 25442 4983 1 10 . 1 1 103 103 LYS H H 103 8.207 8.207 7.352 0.855 25442 4984 1 10 . 1 1 104 104 GLU N N 104 121.722 121.722 120.633 1.089 25442 4985 1 10 . 1 1 104 104 GLU HA H 104 4.263 4.263 4.538 -0.275 25442 4986 1 10 . 1 1 104 104 GLU CA C 104 57.034 57.034 54.778 2.256 25442 4987 1 10 . 1 1 104 104 GLU CB C 104 30.351 30.351 29.091 1.260 25442 4988 1 10 . 1 1 104 104 GLU H H 104 8.325 8.325 8.005 0.320 25442 4989 1 10 . 1 1 105 105 GLU N N 105 121.479 121.479 125.685 -4.206 25442 4990 1 10 . 1 1 105 105 GLU HA H 105 4.264 4.264 4.093 0.171 25442 4991 1 10 . 1 1 105 105 GLU CA C 105 56.802 56.802 59.994 -3.192 25442 4992 1 10 . 1 1 105 105 GLU CB C 105 30.351 30.351 29.867 0.484 25442 4993 1 10 . 1 1 105 105 GLU H H 105 8.288 8.288 8.974 -0.686 25442 4994 1 10 . 1 1 106 106 LEU N N 106 122.549 122.549 116.704 5.845 25442 4995 1 10 . 1 1 106 106 LEU HA H 106 4.316 4.316 4.390 -0.074 25442 4996 1 10 . 1 1 106 106 LEU CA C 106 55.545 55.545 55.460 0.085 25442 4997 1 10 . 1 1 106 106 LEU CB C 106 42.538 42.538 42.915 -0.377 25442 4998 1 10 . 1 1 106 106 LEU H H 106 8.154 8.154 7.725 0.429 25442 4999 1 10 . 1 1 107 107 ASP N N 107 120.656 120.656 121.365 -0.709 25442 5000 1 10 . 1 1 107 107 ASP HA H 107 4.587 4.587 4.672 -0.085 25442 5001 1 10 . 1 1 107 107 ASP CA C 107 54.715 54.715 53.916 0.798 25442 5002 1 10 . 1 1 107 107 ASP CB C 107 41.125 41.125 40.150 0.975 25442 5003 1 10 . 1 1 107 107 ASP H H 107 8.273 8.273 8.310 -0.037 25442 5004 1 10 . 1 1 108 108 ARG N N 108 120.710 120.710 123.962 -3.252 25442 5005 1 10 . 1 1 108 108 ARG HA H 108 4.272 4.272 4.442 -0.170 25442 5006 1 10 . 1 1 108 108 ARG CA C 108 56.778 56.778 54.119 2.659 25442 5007 1 10 . 1 1 108 108 ARG CB C 108 30.835 30.835 30.462 0.373 25442 5008 1 10 . 1 1 108 108 ARG H H 108 8.041 8.041 7.694 0.347 25442 5009 1 10 . 1 1 109 109 ASP N N 109 120.647 120.647 120.817 -0.170 25442 5010 1 10 . 1 1 109 109 ASP CA C 109 54.862 54.862 53.803 1.059 25442 5011 1 10 . 1 1 109 109 ASP H H 109 8.331 8.331 8.816 -0.485 25442 5012 1 10 . 1 1 110 110 ILE N N 110 120.220 120.220 121.977 -1.757 25442 5013 1 10 . 1 1 110 110 ILE HA H 110 4.140 4.140 3.806 0.334 25442 5014 1 10 . 1 1 110 110 ILE CA C 110 61.760 61.760 63.003 -1.243 25442 5015 1 10 . 1 1 110 110 ILE CB C 110 38.643 38.643 38.267 0.377 25442 5016 1 10 . 1 1 110 110 ILE H H 110 7.910 7.910 8.146 -0.236 25442 5017 1 10 . 1 1 111 111 VAL N N 111 122.698 122.698 113.701 8.997 25442 5018 1 10 . 1 1 111 111 VAL HA H 111 4.095 4.095 3.882 0.213 25442 5019 1 10 . 1 1 111 111 VAL CA C 111 62.982 62.982 63.700 -0.718 25442 5020 1 10 . 1 1 111 111 VAL CB C 111 32.438 32.438 31.140 1.298 25442 5021 1 10 . 1 1 111 111 VAL H H 111 8.018 8.018 7.842 0.176 25442 5022 1 10 . 1 1 112 112 SER HA H 112 4.439 4.439 4.301 0.138 25442 5023 1 10 . 1 1 112 112 SER CA C 112 58.581 58.581 60.355 -1.774 25442 5024 1 10 . 1 1 112 112 SER CB C 112 63.717 63.717 62.793 0.924 25442 5025 1 10 . 1 1 114 114 ASN HA H 114 4.690 4.690 4.301 0.389 25442 5026 1 10 . 1 1 114 114 ASN CA C 114 53.462 53.462 55.102 -1.640 25442 5027 1 10 . 1 1 114 114 ASN CB C 114 39.073 39.073 37.371 1.702 25442 5028 1 10 . 1 1 115 115 ASN HA H 115 4.690 4.690 4.473 0.217 25442 5029 1 10 . 1 1 115 115 ASN CA C 115 53.476 53.476 54.319 -0.843 25442 5030 1 10 . 1 1 115 115 ASN CB C 115 39.073 39.073 38.662 0.411 25442 5031 1 10 . 1 1 116 116 ALA N N 116 123.691 123.691 122.713 0.978 25442 5032 1 10 . 1 1 116 116 ALA HA H 116 4.355 4.355 4.394 -0.039 25442 5033 1 10 . 1 1 116 116 ALA CA C 116 52.748 52.748 51.645 1.103 25442 5034 1 10 . 1 1 116 116 ALA CB C 116 19.559 19.559 21.083 -1.524 25442 5035 1 10 . 1 1 116 116 ALA H H 116 8.144 8.144 8.105 0.039 25442 5036 1 10 . 1 1 117 117 GLU N N 117 120.174 120.174 120.305 -0.131 25442 5037 1 10 . 1 1 117 117 GLU HA H 117 4.284 4.284 4.685 -0.401 25442 5038 1 10 . 1 1 117 117 GLU CA C 117 56.731 56.731 55.963 0.768 25442 5039 1 10 . 1 1 117 117 GLU CB C 117 29.944 29.944 31.834 -1.890 25442 5040 1 10 . 1 1 117 117 GLU H H 117 8.234 8.234 8.614 -0.380 25442 5041 1 11 . 1 1 2 2 ALA HA H 2 4.335 4.335 4.084 0.251 25442 5042 1 11 . 1 1 2 2 ALA CA C 2 53.634 53.634 52.421 1.213 25442 5043 1 11 . 1 1 2 2 ALA CB C 2 19.441 19.441 18.833 0.608 25442 5044 1 11 . 1 1 3 3 MET N N 3 120.791 120.791 117.871 2.920 25442 5045 1 11 . 1 1 3 3 MET HA H 3 4.499 4.499 4.099 0.400 25442 5046 1 11 . 1 1 3 3 MET CA C 3 55.772 55.772 56.084 -0.312 25442 5047 1 11 . 1 1 3 3 MET CB C 3 32.968 32.968 31.971 0.997 25442 5048 1 11 . 1 1 3 3 MET H H 3 8.636 8.636 8.328 0.308 25442 5049 1 11 . 1 1 4 4 GLY N N 4 109.879 109.879 107.575 2.304 25442 5050 1 11 . 1 1 4 4 GLY CA C 4 45.531 45.531 46.505 -0.974 25442 5051 1 11 . 1 1 4 4 GLY H H 4 8.391 8.391 8.218 0.173 25442 5052 1 11 . 1 1 5 5 ASN N N 5 124.309 124.309 122.157 2.152 25442 5053 1 11 . 1 1 5 5 ASN HA H 5 4.661 4.661 4.893 -0.232 25442 5054 1 11 . 1 1 5 5 ASN CA C 5 53.419 53.419 52.674 0.745 25442 5055 1 11 . 1 1 5 5 ASN CB C 5 39.059 39.059 38.520 0.539 25442 5056 1 11 . 1 1 5 5 ASN H H 5 7.954 7.954 8.373 -0.419 25442 5057 1 11 . 1 1 7 7 TYR N N 7 120.088 120.088 120.360 -0.272 25442 5058 1 11 . 1 1 7 7 TYR HA H 7 4.463 4.463 4.640 -0.177 25442 5059 1 11 . 1 1 7 7 TYR CA C 7 58.098 58.098 57.209 0.889 25442 5060 1 11 . 1 1 7 7 TYR CB C 7 38.252 38.252 39.284 -1.032 25442 5061 1 11 . 1 1 7 7 TYR H H 7 8.013 8.013 8.397 -0.384 25442 5062 1 11 . 1 1 8 8 LYS N N 8 121.766 121.766 123.525 -1.759 25442 5063 1 11 . 1 1 8 8 LYS HA H 8 4.174 4.174 4.236 -0.062 25442 5064 1 11 . 1 1 8 8 LYS CA C 8 56.835 56.835 57.499 -0.664 25442 5065 1 11 . 1 1 8 8 LYS CB C 8 32.997 32.997 31.317 1.680 25442 5066 1 11 . 1 1 8 8 LYS H H 8 7.845 7.845 8.412 -0.567 25442 5067 1 11 . 1 1 9 9 ASP N N 9 119.739 119.739 120.696 -0.957 25442 5068 1 11 . 1 1 9 9 ASP HA H 9 4.477 4.477 4.779 -0.302 25442 5069 1 11 . 1 1 9 9 ASP CA C 9 54.660 54.660 53.310 1.350 25442 5070 1 11 . 1 1 9 9 ASP CB C 9 41.100 41.100 41.354 -0.254 25442 5071 1 11 . 1 1 9 9 ASP H H 9 8.043 8.043 8.321 -0.278 25442 5072 1 11 . 1 1 10 10 ASN N N 10 119.260 119.260 119.812 -0.552 25442 5073 1 11 . 1 1 10 10 ASN HA H 10 4.875 4.875 4.961 -0.086 25442 5074 1 11 . 1 1 10 10 ASN CA C 10 53.255 53.255 53.173 0.082 25442 5075 1 11 . 1 1 10 10 ASN CB C 10 39.105 39.105 38.655 0.450 25442 5076 1 11 . 1 1 10 10 ASN H H 10 8.174 8.174 8.056 0.118 25442 5077 1 11 . 1 1 11 11 ALA N N 11 122.869 122.869 127.597 -4.728 25442 5078 1 11 . 1 1 11 11 ALA HA H 11 4.544 4.544 4.646 -0.102 25442 5079 1 11 . 1 1 11 11 ALA CA C 11 52.866 52.866 51.052 1.814 25442 5080 1 11 . 1 1 11 11 ALA H H 11 8.299 8.299 7.944 0.355 25442 5081 1 11 . 1 1 12 12 TYR N N 12 117.351 117.351 120.168 -2.817 25442 5082 1 11 . 1 1 12 12 TYR HA H 12 5.220 5.220 5.323 -0.103 25442 5083 1 11 . 1 1 12 12 TYR CA C 12 57.621 57.621 56.409 1.212 25442 5084 1 11 . 1 1 12 12 TYR CB C 12 41.631 41.631 41.250 0.381 25442 5085 1 11 . 1 1 12 12 TYR H H 12 8.340 8.340 8.518 -0.178 25442 5086 1 11 . 1 1 13 13 ILE N N 13 112.184 112.184 117.151 -4.967 25442 5087 1 11 . 1 1 13 13 ILE HA H 13 5.052 5.052 4.792 0.260 25442 5088 1 11 . 1 1 13 13 ILE CA C 13 59.995 59.995 59.415 0.580 25442 5089 1 11 . 1 1 13 13 ILE CB C 13 40.418 40.418 41.699 -1.281 25442 5090 1 11 . 1 1 13 13 ILE H H 13 9.216 9.216 8.560 0.656 25442 5091 1 11 . 1 1 14 14 TYR N N 14 123.504 123.504 123.954 -0.450 25442 5092 1 11 . 1 1 14 14 TYR HA H 14 4.690 4.690 4.917 -0.227 25442 5093 1 11 . 1 1 14 14 TYR CA C 14 56.688 56.688 56.895 -0.207 25442 5094 1 11 . 1 1 14 14 TYR CB C 14 40.564 40.564 40.479 0.085 25442 5095 1 11 . 1 1 14 14 TYR H H 14 9.086 9.086 9.365 -0.279 25442 5096 1 11 . 1 1 15 15 ILE N N 15 127.611 127.611 128.557 -0.946 25442 5097 1 11 . 1 1 15 15 ILE HA H 15 4.288 4.288 4.562 -0.274 25442 5098 1 11 . 1 1 15 15 ILE CA C 15 59.654 59.654 59.926 -0.272 25442 5099 1 11 . 1 1 15 15 ILE CB C 15 40.260 40.260 38.575 1.685 25442 5100 1 11 . 1 1 15 15 ILE H H 15 8.448 8.448 7.353 1.095 25442 5101 1 11 . 1 1 16 16 GLY N N 16 112.660 112.660 111.559 1.101 25442 5102 1 11 . 1 1 16 16 GLY CA C 16 43.240 43.240 42.800 0.440 25442 5103 1 11 . 1 1 16 16 GLY H H 16 9.438 9.438 7.934 1.504 25442 5104 1 11 . 1 1 17 17 ASN N N 17 114.980 114.980 116.340 -1.360 25442 5105 1 11 . 1 1 17 17 ASN HA H 17 4.439 4.439 4.397 0.042 25442 5106 1 11 . 1 1 17 17 ASN CA C 17 53.251 53.251 54.041 -0.790 25442 5107 1 11 . 1 1 17 17 ASN CB C 17 38.259 38.259 37.856 0.403 25442 5108 1 11 . 1 1 17 17 ASN H H 17 8.497 8.497 8.792 -0.295 25442 5109 1 11 . 1 1 18 18 LEU N N 18 115.182 115.182 114.688 0.494 25442 5110 1 11 . 1 1 18 18 LEU HA H 18 4.068 4.068 4.720 -0.652 25442 5111 1 11 . 1 1 18 18 LEU CA C 18 54.073 54.073 53.760 0.313 25442 5112 1 11 . 1 1 18 18 LEU CB C 18 42.912 42.912 43.470 -0.558 25442 5113 1 11 . 1 1 18 18 LEU H H 18 7.859 7.859 7.762 0.097 25442 5114 1 11 . 1 1 19 19 ASN N N 19 122.392 122.392 118.587 3.805 25442 5115 1 11 . 1 1 19 19 ASN HA H 19 4.464 4.464 4.835 -0.371 25442 5116 1 11 . 1 1 19 19 ASN CA C 19 54.087 54.087 52.251 1.836 25442 5117 1 11 . 1 1 19 19 ASN CB C 19 38.703 38.703 39.297 -0.594 25442 5118 1 11 . 1 1 19 19 ASN H H 19 8.727 8.727 8.437 0.290 25442 5119 1 11 . 1 1 20 20 ARG N N 20 126.283 126.283 124.938 1.345 25442 5120 1 11 . 1 1 20 20 ARG HA H 20 3.937 3.937 3.992 -0.055 25442 5121 1 11 . 1 1 20 20 ARG CA C 20 58.719 58.719 58.694 0.025 25442 5122 1 11 . 1 1 20 20 ARG CB C 20 29.719 29.719 29.826 -0.107 25442 5123 1 11 . 1 1 20 20 ARG H H 20 8.940 8.940 8.721 0.219 25442 5124 1 11 . 1 1 21 21 GLU N N 21 117.166 117.166 117.685 -0.519 25442 5125 1 11 . 1 1 21 21 GLU HA H 21 4.321 4.321 4.138 0.183 25442 5126 1 11 . 1 1 21 21 GLU CA C 21 56.778 56.778 57.426 -0.648 25442 5127 1 11 . 1 1 21 21 GLU H H 21 8.867 8.867 8.136 0.731 25442 5128 1 11 . 1 1 22 22 LEU N N 22 119.643 119.643 120.088 -0.445 25442 5129 1 11 . 1 1 22 22 LEU HA H 22 4.540 4.540 4.465 0.075 25442 5130 1 11 . 1 1 22 22 LEU CA C 22 55.505 55.505 55.141 0.364 25442 5131 1 11 . 1 1 22 22 LEU CB C 22 42.251 42.251 41.729 0.522 25442 5132 1 11 . 1 1 22 22 LEU H H 22 7.324 7.324 7.553 -0.229 25442 5133 1 11 . 1 1 23 23 THR N N 23 114.564 114.564 115.661 -1.097 25442 5134 1 11 . 1 1 23 23 THR HA H 23 4.483 4.483 4.642 -0.159 25442 5135 1 11 . 1 1 23 23 THR CA C 23 60.155 60.155 59.800 0.355 25442 5136 1 11 . 1 1 23 23 THR CB C 23 73.000 73.000 71.343 1.657 25442 5137 1 11 . 1 1 23 23 THR H H 23 9.483 9.483 8.325 1.158 25442 5138 1 11 . 1 1 24 24 GLU N N 24 120.458 120.458 120.104 0.354 25442 5139 1 11 . 1 1 24 24 GLU HA H 24 3.604 3.604 3.983 -0.379 25442 5140 1 11 . 1 1 24 24 GLU CA C 24 62.158 62.158 60.042 2.116 25442 5141 1 11 . 1 1 24 24 GLU H H 24 10.410 10.410 8.942 1.468 25442 5142 1 11 . 1 1 25 25 GLY N N 25 105.261 105.261 107.219 -1.958 25442 5143 1 11 . 1 1 25 25 GLY CA C 25 47.219 47.219 46.858 0.361 25442 5144 1 11 . 1 1 25 25 GLY H H 25 8.402 8.402 8.015 0.387 25442 5145 1 11 . 1 1 26 26 ASP N N 26 122.820 122.820 123.334 -0.514 25442 5146 1 11 . 1 1 26 26 ASP HA H 26 4.515 4.515 4.432 0.083 25442 5147 1 11 . 1 1 26 26 ASP CA C 26 58.005 58.005 57.194 0.811 25442 5148 1 11 . 1 1 26 26 ASP CB C 26 41.261 41.261 40.462 0.799 25442 5149 1 11 . 1 1 26 26 ASP H H 26 7.539 7.539 7.502 0.037 25442 5150 1 11 . 1 1 27 27 ILE N N 27 118.686 118.686 120.553 -1.867 25442 5151 1 11 . 1 1 27 27 ILE HA H 27 3.609 3.609 3.795 -0.186 25442 5152 1 11 . 1 1 27 27 ILE CA C 27 65.348 65.348 65.410 -0.062 25442 5153 1 11 . 1 1 27 27 ILE CB C 27 37.789 37.789 38.045 -0.256 25442 5154 1 11 . 1 1 27 27 ILE H H 27 7.832 7.832 8.108 -0.276 25442 5155 1 11 . 1 1 28 28 LEU N N 28 119.737 119.737 120.394 -0.657 25442 5156 1 11 . 1 1 28 28 LEU HA H 28 3.790 3.790 3.947 -0.157 25442 5157 1 11 . 1 1 28 28 LEU CA C 28 59.040 59.040 58.503 0.537 25442 5158 1 11 . 1 1 28 28 LEU CB C 28 42.520 42.520 41.755 0.765 25442 5159 1 11 . 1 1 28 28 LEU H H 28 8.731 8.731 8.114 0.617 25442 5160 1 11 . 1 1 29 29 THR N N 29 119.509 119.509 115.258 4.251 25442 5161 1 11 . 1 1 29 29 THR HA H 29 4.045 4.045 3.958 0.087 25442 5162 1 11 . 1 1 29 29 THR CA C 29 67.196 67.196 67.110 0.086 25442 5163 1 11 . 1 1 29 29 THR CB C 29 69.194 69.194 68.566 0.628 25442 5164 1 11 . 1 1 29 29 THR H H 29 8.251 8.251 8.252 -0.001 25442 5165 1 11 . 1 1 30 30 VAL N N 30 117.974 117.974 120.855 -2.881 25442 5166 1 11 . 1 1 30 30 VAL HA H 30 3.869 3.869 3.697 0.172 25442 5167 1 11 . 1 1 30 30 VAL CA C 30 65.727 65.727 65.981 -0.254 25442 5168 1 11 . 1 1 30 30 VAL CB C 30 32.912 32.912 31.444 1.468 25442 5169 1 11 . 1 1 30 30 VAL H H 30 7.627 7.627 8.042 -0.415 25442 5170 1 11 . 1 1 31 31 PHE N N 31 113.937 113.937 115.855 -1.918 25442 5171 1 11 . 1 1 31 31 PHE HA H 31 3.908 3.908 4.584 -0.676 25442 5172 1 11 . 1 1 31 31 PHE CA C 31 62.044 62.044 59.752 2.292 25442 5173 1 11 . 1 1 31 31 PHE CB C 31 37.217 37.217 39.303 -2.086 25442 5174 1 11 . 1 1 31 31 PHE H H 31 8.903 8.903 8.126 0.777 25442 5175 1 11 . 1 1 32 32 SER N N 32 118.854 118.854 117.734 1.120 25442 5176 1 11 . 1 1 32 32 SER HA H 32 5.405 5.405 4.044 1.361 25442 5177 1 11 . 1 1 32 32 SER CA C 32 61.282 61.282 62.156 -0.874 25442 5178 1 11 . 1 1 32 32 SER CB C 32 64.055 64.055 62.677 1.378 25442 5179 1 11 . 1 1 32 32 SER H H 32 8.024 8.024 8.675 -0.651 25442 5180 1 11 . 1 1 33 33 GLU N N 33 121.203 121.203 119.282 1.921 25442 5181 1 11 . 1 1 33 33 GLU HA H 33 2.246 2.246 4.064 -1.818 25442 5182 1 11 . 1 1 33 33 GLU CA C 33 59.596 59.596 58.075 1.522 25442 5183 1 11 . 1 1 33 33 GLU H H 33 6.935 6.935 8.007 -1.072 25442 5184 1 11 . 1 1 34 34 TYR N N 34 108.039 108.039 120.122 -12.083 25442 5185 1 11 . 1 1 34 34 TYR HA H 34 4.953 4.953 4.676 0.277 25442 5186 1 11 . 1 1 34 34 TYR CA C 34 57.226 57.226 57.368 -0.142 25442 5187 1 11 . 1 1 34 34 TYR CB C 34 38.821 38.821 38.157 0.664 25442 5188 1 11 . 1 1 34 34 TYR H H 34 6.254 6.254 7.813 -1.559 25442 5189 1 11 . 1 1 35 35 GLY N N 35 103.601 103.601 107.428 -3.827 25442 5190 1 11 . 1 1 35 35 GLY CA C 35 44.594 44.594 44.809 -0.215 25442 5191 1 11 . 1 1 35 35 GLY H H 35 7.247 7.247 7.605 -0.358 25442 5192 1 11 . 1 1 36 36 VAL N N 36 120.482 120.482 121.952 -1.470 25442 5193 1 11 . 1 1 36 36 VAL HA H 36 4.537 4.537 4.032 0.505 25442 5194 1 11 . 1 1 36 36 VAL CA C 36 59.942 59.942 60.378 -0.436 25442 5195 1 11 . 1 1 36 36 VAL CB C 36 33.989 33.989 33.198 0.791 25442 5196 1 11 . 1 1 36 36 VAL H H 36 8.549 8.549 7.522 1.027 25442 5197 1 11 . 1 1 37 37 PRO HA H 37 4.543 4.543 4.620 -0.077 25442 5198 1 11 . 1 1 37 37 PRO CA C 37 62.043 62.043 62.295 -0.252 25442 5199 1 11 . 1 1 37 37 PRO CB C 37 31.531 31.531 32.480 -0.949 25442 5200 1 11 . 1 1 38 38 VAL N N 38 118.566 118.566 113.255 5.311 25442 5201 1 11 . 1 1 38 38 VAL HA H 38 4.439 4.439 4.151 0.288 25442 5202 1 11 . 1 1 38 38 VAL CA C 38 61.064 61.064 62.006 -0.942 25442 5203 1 11 . 1 1 38 38 VAL CB C 38 32.842 32.842 32.339 0.503 25442 5204 1 11 . 1 1 38 38 VAL H H 38 9.099 9.099 7.843 1.256 25442 5205 1 11 . 1 1 39 39 ASP N N 39 118.912 118.912 119.293 -0.381 25442 5206 1 11 . 1 1 39 39 ASP HA H 39 4.920 4.920 4.764 0.156 25442 5207 1 11 . 1 1 39 39 ASP CA C 39 54.860 54.860 54.368 0.492 25442 5208 1 11 . 1 1 39 39 ASP CB C 39 44.441 44.441 44.601 -0.160 25442 5209 1 11 . 1 1 39 39 ASP H H 39 7.300 7.300 7.705 -0.405 25442 5210 1 11 . 1 1 40 40 VAL N N 40 123.365 123.365 119.225 4.140 25442 5211 1 11 . 1 1 40 40 VAL HA H 40 4.759 4.759 4.885 -0.126 25442 5212 1 11 . 1 1 40 40 VAL CA C 40 61.259 61.259 60.685 0.574 25442 5213 1 11 . 1 1 40 40 VAL CB C 40 34.464 34.464 34.590 -0.126 25442 5214 1 11 . 1 1 40 40 VAL H H 40 8.052 8.052 8.387 -0.335 25442 5215 1 11 . 1 1 41 41 ILE N N 41 127.951 127.951 127.533 0.418 25442 5216 1 11 . 1 1 41 41 ILE HA H 41 4.361 4.361 4.300 0.061 25442 5217 1 11 . 1 1 41 41 ILE CA C 41 60.204 60.204 61.024 -0.820 25442 5218 1 11 . 1 1 41 41 ILE CB C 41 41.220 41.220 38.803 2.417 25442 5219 1 11 . 1 1 41 41 ILE H H 41 9.031 9.031 9.075 -0.044 25442 5220 1 11 . 1 1 42 42 LEU N N 42 130.034 130.034 130.282 -0.248 25442 5221 1 11 . 1 1 42 42 LEU HA H 42 4.415 4.415 4.510 -0.095 25442 5222 1 11 . 1 1 42 42 LEU CA C 42 53.832 53.832 53.605 0.227 25442 5223 1 11 . 1 1 42 42 LEU CB C 42 44.353 44.353 43.197 1.156 25442 5224 1 11 . 1 1 42 42 LEU H H 42 8.935 8.935 8.484 0.451 25442 5225 1 11 . 1 1 43 43 SER N N 43 121.977 121.977 119.187 2.790 25442 5226 1 11 . 1 1 43 43 SER HA H 43 4.092 4.092 4.430 -0.338 25442 5227 1 11 . 1 1 43 43 SER CA C 43 59.298 59.298 58.334 0.964 25442 5228 1 11 . 1 1 43 43 SER CB C 43 62.879 62.879 64.153 -1.274 25442 5229 1 11 . 1 1 43 43 SER H H 43 8.088 8.088 8.410 -0.322 25442 5230 1 11 . 1 1 44 44 ARG N N 44 125.852 125.852 125.261 0.591 25442 5231 1 11 . 1 1 44 44 ARG HA H 44 4.906 4.906 4.457 0.449 25442 5232 1 11 . 1 1 44 44 ARG CA C 44 54.363 54.363 54.815 -0.452 25442 5233 1 11 . 1 1 44 44 ARG CB C 44 34.095 34.095 32.678 1.417 25442 5234 1 11 . 1 1 44 44 ARG H H 44 8.081 8.081 8.420 -0.339 25442 5235 1 11 . 1 1 45 45 ASP N N 45 123.150 123.150 123.344 -0.194 25442 5236 1 11 . 1 1 45 45 ASP HA H 45 4.425 4.425 4.695 -0.270 25442 5237 1 11 . 1 1 45 45 ASP CA C 45 54.728 54.728 53.029 1.699 25442 5238 1 11 . 1 1 45 45 ASP CB C 45 43.318 43.318 43.128 0.190 25442 5239 1 11 . 1 1 45 45 ASP H H 45 8.594 8.594 8.264 0.330 25442 5240 1 11 . 1 1 46 46 GLU N N 46 127.786 127.786 123.875 3.911 25442 5241 1 11 . 1 1 46 46 GLU HA H 46 4.048 4.048 4.134 -0.086 25442 5242 1 11 . 1 1 46 46 GLU CA C 46 59.018 59.018 59.288 -0.270 25442 5243 1 11 . 1 1 46 46 GLU CB C 46 29.870 29.870 29.753 0.117 25442 5244 1 11 . 1 1 46 46 GLU H H 46 9.250 9.250 8.907 0.343 25442 5245 1 11 . 1 1 47 47 ASN N N 47 116.105 116.105 116.996 -0.891 25442 5246 1 11 . 1 1 47 47 ASN HA H 47 4.825 4.825 4.517 0.308 25442 5247 1 11 . 1 1 47 47 ASN CA C 47 55.321 55.321 55.596 -0.275 25442 5248 1 11 . 1 1 47 47 ASN CB C 47 39.927 39.927 38.505 1.422 25442 5249 1 11 . 1 1 47 47 ASN H H 47 8.857 8.857 8.262 0.595 25442 5250 1 11 . 1 1 48 48 THR N N 48 108.395 108.395 107.398 0.997 25442 5251 1 11 . 1 1 48 48 THR HA H 48 4.461 4.461 4.529 -0.068 25442 5252 1 11 . 1 1 48 48 THR CA C 48 61.883 61.883 62.261 -0.379 25442 5253 1 11 . 1 1 48 48 THR CB C 48 71.194 71.194 70.607 0.587 25442 5254 1 11 . 1 1 48 48 THR H H 48 8.539 8.539 7.640 0.899 25442 5255 1 11 . 1 1 49 49 GLY N N 49 110.910 110.910 111.935 -1.025 25442 5256 1 11 . 1 1 49 49 GLY CA C 49 45.706 45.706 45.080 0.626 25442 5257 1 11 . 1 1 49 49 GLY H H 49 8.293 8.293 8.669 -0.376 25442 5258 1 11 . 1 1 50 50 GLU N N 50 120.328 120.328 117.232 3.096 25442 5259 1 11 . 1 1 50 50 GLU HA H 50 4.162 4.162 4.659 -0.497 25442 5260 1 11 . 1 1 50 50 GLU CA C 50 56.540 56.540 54.242 2.298 25442 5261 1 11 . 1 1 50 50 GLU CB C 50 30.948 30.948 31.762 -0.814 25442 5262 1 11 . 1 1 50 50 GLU H H 50 7.854 7.854 8.066 -0.212 25442 5263 1 11 . 1 1 51 51 SER N N 51 117.235 117.235 114.968 2.267 25442 5264 1 11 . 1 1 51 51 SER HA H 51 4.391 4.391 4.524 -0.134 25442 5265 1 11 . 1 1 51 51 SER CA C 51 58.361 58.361 58.541 -0.180 25442 5266 1 11 . 1 1 51 51 SER CB C 51 64.438 64.438 63.334 1.104 25442 5267 1 11 . 1 1 51 51 SER H H 51 8.950 8.950 8.525 0.425 25442 5268 1 11 . 1 1 52 52 GLN N N 52 122.996 122.996 123.099 -0.103 25442 5269 1 11 . 1 1 52 52 GLN HA H 52 4.516 4.516 4.311 0.205 25442 5270 1 11 . 1 1 52 52 GLN CA C 52 55.406 55.406 56.758 -1.352 25442 5271 1 11 . 1 1 52 52 GLN CB C 52 29.624 29.624 29.310 0.314 25442 5272 1 11 . 1 1 52 52 GLN H H 52 8.929 8.929 8.693 0.236 25442 5273 1 11 . 1 1 53 53 GLY N N 53 106.139 106.139 106.398 -0.259 25442 5274 1 11 . 1 1 53 53 GLY CA C 53 46.434 46.434 44.816 1.619 25442 5275 1 11 . 1 1 53 53 GLY H H 53 8.876 8.876 8.332 0.544 25442 5276 1 11 . 1 1 54 54 PHE N N 54 112.294 112.294 114.441 -2.147 25442 5277 1 11 . 1 1 54 54 PHE HA H 54 5.436 5.436 5.477 -0.041 25442 5278 1 11 . 1 1 54 54 PHE CA C 54 55.464 55.464 54.847 0.617 25442 5279 1 11 . 1 1 54 54 PHE CB C 54 41.207 41.207 41.094 0.113 25442 5280 1 11 . 1 1 54 54 PHE H H 54 6.938 6.938 7.167 -0.229 25442 5281 1 11 . 1 1 55 55 ALA N N 55 121.935 121.935 121.142 0.793 25442 5282 1 11 . 1 1 55 55 ALA HA H 55 5.051 5.051 4.587 0.464 25442 5283 1 11 . 1 1 55 55 ALA CA C 55 49.517 49.517 51.461 -1.944 25442 5284 1 11 . 1 1 55 55 ALA CB C 55 24.966 24.966 22.162 2.804 25442 5285 1 11 . 1 1 55 55 ALA H H 55 9.098 9.098 7.898 1.200 25442 5286 1 11 . 1 1 56 56 TYR N N 56 114.799 114.799 117.348 -2.549 25442 5287 1 11 . 1 1 56 56 TYR HA H 56 5.652 5.652 4.989 0.663 25442 5288 1 11 . 1 1 56 56 TYR CA C 56 56.128 56.128 56.793 -0.665 25442 5289 1 11 . 1 1 56 56 TYR CB C 56 42.405 42.405 40.936 1.469 25442 5290 1 11 . 1 1 56 56 TYR H H 56 8.572 8.572 8.060 0.512 25442 5291 1 11 . 1 1 57 57 LEU N N 57 123.129 123.129 122.255 0.874 25442 5292 1 11 . 1 1 57 57 LEU HA H 57 5.100 5.100 5.154 -0.054 25442 5293 1 11 . 1 1 57 57 LEU CA C 57 54.552 54.552 53.649 0.903 25442 5294 1 11 . 1 1 57 57 LEU H H 57 8.600 8.600 8.866 -0.266 25442 5295 1 11 . 1 1 58 58 LYS N N 58 126.556 126.556 121.454 5.102 25442 5296 1 11 . 1 1 58 58 LYS HA H 58 4.553 4.553 4.266 0.287 25442 5297 1 11 . 1 1 58 58 LYS CA C 58 54.518 54.518 55.518 -1.000 25442 5298 1 11 . 1 1 58 58 LYS CB C 58 36.254 36.254 31.925 4.329 25442 5299 1 11 . 1 1 58 58 LYS H H 58 8.389 8.389 8.441 -0.052 25442 5300 1 11 . 1 1 59 59 TYR N N 59 126.761 126.761 125.610 1.151 25442 5301 1 11 . 1 1 59 59 TYR HA H 59 5.061 5.061 4.450 0.611 25442 5302 1 11 . 1 1 59 59 TYR CA C 59 58.271 58.271 58.158 0.113 25442 5303 1 11 . 1 1 59 59 TYR H H 59 9.035 9.035 8.757 0.278 25442 5304 1 11 . 1 1 60 60 GLU N N 60 120.097 120.097 122.319 -2.222 25442 5305 1 11 . 1 1 60 60 GLU HA H 60 3.890 3.890 4.111 -0.221 25442 5306 1 11 . 1 1 60 60 GLU CA C 60 59.244 59.244 58.874 0.370 25442 5307 1 11 . 1 1 60 60 GLU CB C 60 31.145 31.145 30.169 0.976 25442 5308 1 11 . 1 1 60 60 GLU H H 60 8.796 8.796 8.650 0.146 25442 5309 1 11 . 1 1 61 61 ASP N N 61 117.697 117.697 118.400 -0.703 25442 5310 1 11 . 1 1 61 61 ASP HA H 61 4.842 4.842 4.811 0.031 25442 5311 1 11 . 1 1 61 61 ASP CA C 61 51.550 51.550 53.047 -1.497 25442 5312 1 11 . 1 1 61 61 ASP CB C 61 43.258 43.258 41.866 1.392 25442 5313 1 11 . 1 1 61 61 ASP H H 61 8.006 8.006 8.198 -0.192 25442 5314 1 11 . 1 1 62 62 GLN N N 62 126.321 126.321 123.711 2.610 25442 5315 1 11 . 1 1 62 62 GLN HA H 62 4.223 4.223 4.000 0.223 25442 5316 1 11 . 1 1 62 62 GLN CA C 62 58.637 58.637 59.531 -0.893 25442 5317 1 11 . 1 1 62 62 GLN CB C 62 27.994 27.994 29.040 -1.046 25442 5318 1 11 . 1 1 62 62 GLN H H 62 9.053 9.053 8.794 0.259 25442 5319 1 11 . 1 1 63 63 ARG N N 63 121.086 121.086 117.497 3.589 25442 5320 1 11 . 1 1 63 63 ARG HA H 63 3.654 3.654 4.123 -0.469 25442 5321 1 11 . 1 1 63 63 ARG CA C 63 58.971 58.971 58.559 0.413 25442 5322 1 11 . 1 1 63 63 ARG H H 63 8.960 8.960 8.571 0.389 25442 5323 1 11 . 1 1 64 64 SER N N 64 114.891 114.891 114.305 0.586 25442 5324 1 11 . 1 1 64 64 SER HA H 64 3.704 3.704 4.383 -0.679 25442 5325 1 11 . 1 1 64 64 SER CA C 64 63.589 63.589 61.642 1.946 25442 5326 1 11 . 1 1 64 64 SER H H 64 8.143 8.143 7.901 0.242 25442 5327 1 11 . 1 1 65 65 THR N N 65 111.019 111.019 115.190 -4.171 25442 5328 1 11 . 1 1 65 65 THR HA H 65 3.765 3.765 4.070 -0.305 25442 5329 1 11 . 1 1 65 65 THR CA C 65 66.198 66.198 65.592 0.606 25442 5330 1 11 . 1 1 65 65 THR CB C 65 68.461 68.461 68.413 0.048 25442 5331 1 11 . 1 1 65 65 THR H H 65 7.633 7.633 7.781 -0.148 25442 5332 1 11 . 1 1 66 66 ILE N N 66 123.242 123.242 121.831 1.411 25442 5333 1 11 . 1 1 66 66 ILE HA H 66 3.673 3.673 3.874 -0.201 25442 5334 1 11 . 1 1 66 66 ILE CA C 66 64.506 64.506 64.904 -0.398 25442 5335 1 11 . 1 1 66 66 ILE CB C 66 38.668 38.668 37.773 0.895 25442 5336 1 11 . 1 1 66 66 ILE H H 66 6.648 6.648 7.554 -0.906 25442 5337 1 11 . 1 1 67 67 LEU N N 67 113.375 113.375 120.055 -6.680 25442 5338 1 11 . 1 1 67 67 LEU HA H 67 3.627 3.627 4.016 -0.389 25442 5339 1 11 . 1 1 67 67 LEU CA C 67 57.678 57.678 57.586 0.092 25442 5340 1 11 . 1 1 67 67 LEU CB C 67 41.866 41.866 41.677 0.189 25442 5341 1 11 . 1 1 67 67 LEU H H 67 6.899 6.899 7.565 -0.666 25442 5342 1 11 . 1 1 68 68 ALA N N 68 120.327 120.327 121.245 -0.918 25442 5343 1 11 . 1 1 68 68 ALA HA H 68 3.406 3.406 3.291 0.115 25442 5344 1 11 . 1 1 68 68 ALA CA C 68 55.643 55.643 55.090 0.553 25442 5345 1 11 . 1 1 68 68 ALA CB C 68 19.395 19.395 18.477 0.918 25442 5346 1 11 . 1 1 68 68 ALA H H 68 8.201 8.201 7.850 0.351 25442 5347 1 11 . 1 1 69 69 VAL N N 69 118.977 118.977 114.358 4.619 25442 5348 1 11 . 1 1 69 69 VAL HA H 69 3.221 3.221 3.767 -0.546 25442 5349 1 11 . 1 1 69 69 VAL CA C 69 67.039 67.039 66.155 0.884 25442 5350 1 11 . 1 1 69 69 VAL CB C 69 31.896 31.896 31.216 0.680 25442 5351 1 11 . 1 1 69 69 VAL H H 69 8.235 8.235 7.886 0.349 25442 5352 1 11 . 1 1 70 70 ASP N N 70 116.894 116.894 120.861 -3.967 25442 5353 1 11 . 1 1 70 70 ASP HA H 70 3.941 3.941 4.403 -0.462 25442 5354 1 11 . 1 1 70 70 ASP CA C 70 57.576 57.576 57.110 0.466 25442 5355 1 11 . 1 1 70 70 ASP CB C 70 39.037 39.037 40.295 -1.258 25442 5356 1 11 . 1 1 70 70 ASP H H 70 8.152 8.152 8.391 -0.239 25442 5357 1 11 . 1 1 71 71 ASN N N 71 110.936 110.936 116.126 -5.190 25442 5358 1 11 . 1 1 71 71 ASN HA H 71 5.009 5.009 4.694 0.315 25442 5359 1 11 . 1 1 71 71 ASN CA C 71 55.710 55.710 54.503 1.207 25442 5360 1 11 . 1 1 71 71 ASN CB C 71 42.091 42.091 39.975 2.116 25442 5361 1 11 . 1 1 71 71 ASN H H 71 7.562 7.562 7.389 0.173 25442 5362 1 11 . 1 1 72 72 LEU N N 72 116.460 116.460 119.335 -2.875 25442 5363 1 11 . 1 1 72 72 LEU HA H 72 4.686 4.686 4.243 0.443 25442 5364 1 11 . 1 1 72 72 LEU CA C 72 54.411 54.411 55.711 -1.300 25442 5365 1 11 . 1 1 72 72 LEU CB C 72 42.477 42.477 42.298 0.179 25442 5366 1 11 . 1 1 72 72 LEU H H 72 8.406 8.406 8.093 0.313 25442 5367 1 11 . 1 1 73 73 ASN N N 73 118.618 118.618 117.910 0.708 25442 5368 1 11 . 1 1 73 73 ASN HA H 73 4.419 4.419 4.573 -0.154 25442 5369 1 11 . 1 1 73 73 ASN CA C 73 56.716 56.716 54.601 2.115 25442 5370 1 11 . 1 1 73 73 ASN CB C 73 39.452 39.452 38.583 0.869 25442 5371 1 11 . 1 1 73 73 ASN H H 73 6.956 6.956 7.616 -0.660 25442 5372 1 11 . 1 1 74 74 GLY N N 74 116.095 116.095 113.391 2.704 25442 5373 1 11 . 1 1 74 74 GLY CA C 74 45.912 45.912 45.254 0.658 25442 5374 1 11 . 1 1 74 74 GLY H H 74 9.379 9.379 8.757 0.622 25442 5375 1 11 . 1 1 75 75 PHE N N 75 123.354 123.354 122.377 0.977 25442 5376 1 11 . 1 1 75 75 PHE HA H 75 4.311 4.311 4.659 -0.348 25442 5377 1 11 . 1 1 75 75 PHE CA C 75 58.979 58.979 56.421 2.558 25442 5378 1 11 . 1 1 75 75 PHE CB C 75 41.709 41.709 40.714 0.995 25442 5379 1 11 . 1 1 75 75 PHE H H 75 8.211 8.211 7.764 0.447 25442 5380 1 11 . 1 1 76 76 LYS N N 76 127.267 127.267 128.513 -1.246 25442 5381 1 11 . 1 1 76 76 LYS HA H 76 4.598 4.598 4.084 0.514 25442 5382 1 11 . 1 1 76 76 LYS CA C 76 56.529 56.529 56.299 0.230 25442 5383 1 11 . 1 1 76 76 LYS CB C 76 33.073 33.073 32.370 0.703 25442 5384 1 11 . 1 1 76 76 LYS H H 76 7.648 7.648 8.166 -0.518 25442 5385 1 11 . 1 1 77 77 ILE N N 77 121.576 121.576 126.674 -5.098 25442 5386 1 11 . 1 1 77 77 ILE HA H 77 4.406 4.406 4.353 0.053 25442 5387 1 11 . 1 1 77 77 ILE CA C 77 60.214 60.214 60.752 -0.538 25442 5388 1 11 . 1 1 77 77 ILE CB C 77 40.048 40.048 40.696 -0.648 25442 5389 1 11 . 1 1 77 77 ILE H H 77 8.100 8.100 8.940 -0.840 25442 5390 1 11 . 1 1 78 78 GLY CA C 78 47.118 47.118 45.438 1.680 25442 5391 1 11 . 1 1 79 79 GLY CA C 79 45.171 45.171 44.817 0.354 25442 5392 1 11 . 1 1 80 80 ARG N N 80 119.377 119.377 120.453 -1.076 25442 5393 1 11 . 1 1 80 80 ARG HA H 80 4.650 4.650 4.606 0.044 25442 5394 1 11 . 1 1 80 80 ARG CA C 80 54.849 54.849 54.827 0.022 25442 5395 1 11 . 1 1 80 80 ARG CB C 80 33.411 33.411 34.018 -0.607 25442 5396 1 11 . 1 1 80 80 ARG H H 80 7.379 7.379 7.711 -0.332 25442 5397 1 11 . 1 1 81 81 ALA N N 81 126.782 126.782 126.085 0.697 25442 5398 1 11 . 1 1 81 81 ALA HA H 81 4.137 4.137 4.461 -0.324 25442 5399 1 11 . 1 1 81 81 ALA CA C 81 51.454 51.454 51.229 0.225 25442 5400 1 11 . 1 1 81 81 ALA CB C 81 19.131 19.131 19.579 -0.448 25442 5401 1 11 . 1 1 81 81 ALA H H 81 8.734 8.734 8.429 0.305 25442 5402 1 11 . 1 1 82 82 LEU N N 82 125.769 125.769 121.256 4.513 25442 5403 1 11 . 1 1 82 82 LEU HA H 82 4.390 4.390 4.775 -0.385 25442 5404 1 11 . 1 1 82 82 LEU CA C 82 56.196 56.196 54.091 2.105 25442 5405 1 11 . 1 1 82 82 LEU CB C 82 43.362 43.362 42.529 0.833 25442 5406 1 11 . 1 1 82 82 LEU H H 82 8.736 8.736 8.199 0.537 25442 5407 1 11 . 1 1 83 83 LYS N N 83 123.851 123.851 122.542 1.309 25442 5408 1 11 . 1 1 83 83 LYS HA H 83 5.005 5.005 4.690 0.315 25442 5409 1 11 . 1 1 83 83 LYS CA C 83 54.790 54.790 55.066 -0.276 25442 5410 1 11 . 1 1 83 83 LYS CB C 83 34.212 34.212 34.410 -0.198 25442 5411 1 11 . 1 1 83 83 LYS H H 83 7.838 7.838 8.405 -0.567 25442 5412 1 11 . 1 1 84 84 ILE N N 84 125.629 125.629 126.531 -0.902 25442 5413 1 11 . 1 1 84 84 ILE HA H 84 5.576 5.576 5.206 0.370 25442 5414 1 11 . 1 1 84 84 ILE CA C 84 58.513 58.513 58.936 -0.423 25442 5415 1 11 . 1 1 84 84 ILE CB C 84 40.310 40.310 38.194 2.116 25442 5416 1 11 . 1 1 84 84 ILE H H 84 8.727 8.727 8.576 0.151 25442 5417 1 11 . 1 1 85 85 ASP N N 85 124.427 124.427 127.590 -3.163 25442 5418 1 11 . 1 1 85 85 ASP HA H 85 5.094 5.094 4.993 0.101 25442 5419 1 11 . 1 1 85 85 ASP CA C 85 52.697 52.697 52.981 -0.284 25442 5420 1 11 . 1 1 85 85 ASP CB C 85 45.574 45.574 44.272 1.302 25442 5421 1 11 . 1 1 85 85 ASP H H 85 8.960 8.960 8.625 0.335 25442 5422 1 11 . 1 1 86 86 HIS N N 86 121.356 121.356 122.905 -1.549 25442 5423 1 11 . 1 1 86 86 HIS HA H 86 4.635 4.635 4.611 0.024 25442 5424 1 11 . 1 1 86 86 HIS CA C 86 58.158 58.158 56.949 1.209 25442 5425 1 11 . 1 1 86 86 HIS CB C 86 31.368 31.368 30.931 0.437 25442 5426 1 11 . 1 1 86 86 HIS H H 86 8.783 8.783 8.697 0.086 25442 5427 1 11 . 1 1 87 87 THR N N 87 114.331 114.331 118.612 -4.281 25442 5428 1 11 . 1 1 87 87 THR HA H 87 4.691 4.691 4.620 0.071 25442 5429 1 11 . 1 1 87 87 THR CA C 87 60.890 60.890 59.748 1.142 25442 5430 1 11 . 1 1 87 87 THR CB C 87 70.215 70.215 70.425 -0.210 25442 5431 1 11 . 1 1 87 87 THR H H 87 8.032 8.032 8.194 -0.162 25442 5432 1 11 . 1 1 88 88 PHE N N 88 118.673 118.673 124.743 -6.070 25442 5433 1 11 . 1 1 88 88 PHE HA H 88 4.305 4.305 4.555 -0.250 25442 5434 1 11 . 1 1 88 88 PHE CA C 88 58.926 58.926 56.761 2.165 25442 5435 1 11 . 1 1 88 88 PHE CB C 88 39.673 39.673 37.958 1.715 25442 5436 1 11 . 1 1 88 88 PHE H H 88 8.233 8.233 8.448 -0.215 25442 5437 1 11 . 1 1 89 89 TYR N N 89 124.182 124.182 122.534 1.648 25442 5438 1 11 . 1 1 89 89 TYR HA H 89 4.193 4.193 3.712 0.481 25442 5439 1 11 . 1 1 89 89 TYR CA C 89 58.510 58.510 58.938 -0.428 25442 5440 1 11 . 1 1 89 89 TYR CB C 89 39.993 39.993 38.272 1.721 25442 5441 1 11 . 1 1 89 89 TYR H H 89 8.246 8.246 6.980 1.266 25442 5442 1 11 . 1 1 90 90 ARG N N 90 125.111 125.111 127.348 -2.237 25442 5443 1 11 . 1 1 90 90 ARG HA H 90 4.219 4.219 4.067 0.152 25442 5444 1 11 . 1 1 90 90 ARG CA C 90 52.511 52.511 52.755 -0.244 25442 5445 1 11 . 1 1 90 90 ARG CB C 90 31.298 31.298 30.625 0.673 25442 5446 1 11 . 1 1 90 90 ARG H H 90 7.223 7.223 7.928 -0.705 25442 5447 1 11 . 1 1 91 91 PRO HA H 91 4.028 4.028 4.142 -0.114 25442 5448 1 11 . 1 1 91 91 PRO CA C 91 62.759 62.759 62.499 0.260 25442 5449 1 11 . 1 1 91 91 PRO CB C 91 32.074 32.074 31.942 0.133 25442 5450 1 11 . 1 1 94 94 SER HA H 94 4.466 4.466 4.755 -0.289 25442 5451 1 11 . 1 1 94 94 SER CA C 94 58.273 58.273 57.888 0.385 25442 5452 1 11 . 1 1 94 94 SER CB C 94 63.656 63.656 65.029 -1.373 25442 5453 1 11 . 1 1 95 95 LEU HA H 95 4.369 4.369 4.606 -0.237 25442 5454 1 11 . 1 1 95 95 LEU CA C 95 55.482 55.482 55.903 -0.421 25442 5455 1 11 . 1 1 95 95 LEU CB C 95 42.350 42.350 43.538 -1.188 25442 5456 1 11 . 1 1 97 97 LYS HA H 97 4.197 4.197 4.333 -0.136 25442 5457 1 11 . 1 1 97 97 LYS CA C 97 56.923 56.923 56.039 0.884 25442 5458 1 11 . 1 1 97 97 LYS CB C 97 32.936 32.936 33.213 -0.277 25442 5459 1 11 . 1 1 98 98 TYR N N 98 120.486 120.486 114.144 6.342 25442 5460 1 11 . 1 1 98 98 TYR HA H 98 4.477 4.477 4.173 0.304 25442 5461 1 11 . 1 1 98 98 TYR CA C 98 58.249 58.249 57.998 0.251 25442 5462 1 11 . 1 1 98 98 TYR CB C 98 38.659 38.659 35.581 3.078 25442 5463 1 11 . 1 1 98 98 TYR H H 98 7.979 7.979 8.164 -0.185 25442 5464 1 11 . 1 1 99 99 TYR N N 99 120.784 120.784 121.885 -1.101 25442 5465 1 11 . 1 1 99 99 TYR HA H 99 4.455 4.455 3.899 0.556 25442 5466 1 11 . 1 1 99 99 TYR CA C 99 58.281 58.281 60.841 -2.560 25442 5467 1 11 . 1 1 99 99 TYR CB C 99 38.902 38.902 38.329 0.573 25442 5468 1 11 . 1 1 99 99 TYR H H 99 7.918 7.918 8.429 -0.511 25442 5469 1 11 . 1 1 100 100 GLU N N 100 122.033 122.033 119.451 2.582 25442 5470 1 11 . 1 1 100 100 GLU HA H 100 4.171 4.171 4.028 0.143 25442 5471 1 11 . 1 1 100 100 GLU CA C 100 56.766 56.766 58.895 -2.129 25442 5472 1 11 . 1 1 100 100 GLU H H 100 8.055 8.055 8.910 -0.855 25442 5473 1 11 . 1 1 101 101 ALA N N 101 124.629 124.629 121.651 2.978 25442 5474 1 11 . 1 1 101 101 ALA HA H 101 4.283 4.283 4.212 0.071 25442 5475 1 11 . 1 1 101 101 ALA CA C 101 52.795 52.795 54.821 -2.026 25442 5476 1 11 . 1 1 101 101 ALA CB C 101 19.150 19.150 19.030 0.120 25442 5477 1 11 . 1 1 101 101 ALA H H 101 8.040 8.040 7.994 0.046 25442 5478 1 11 . 1 1 102 102 VAL N N 102 119.031 119.031 110.954 8.077 25442 5479 1 11 . 1 1 102 102 VAL HA H 102 4.039 4.039 4.150 -0.111 25442 5480 1 11 . 1 1 102 102 VAL CA C 102 62.675 62.675 61.212 1.463 25442 5481 1 11 . 1 1 102 102 VAL CB C 102 32.610 32.610 30.574 2.036 25442 5482 1 11 . 1 1 102 102 VAL H H 102 7.960 7.960 7.463 0.497 25442 5483 1 11 . 1 1 103 103 LYS N N 103 124.562 124.562 121.012 3.550 25442 5484 1 11 . 1 1 103 103 LYS HA H 103 4.258 4.258 4.217 0.041 25442 5485 1 11 . 1 1 103 103 LYS CA C 103 56.797 56.797 55.532 1.265 25442 5486 1 11 . 1 1 103 103 LYS CB C 103 33.012 33.012 31.788 1.224 25442 5487 1 11 . 1 1 103 103 LYS H H 103 8.207 8.207 7.188 1.019 25442 5488 1 11 . 1 1 104 104 GLU N N 104 121.722 121.722 115.112 6.610 25442 5489 1 11 . 1 1 104 104 GLU HA H 104 4.263 4.263 3.985 0.278 25442 5490 1 11 . 1 1 104 104 GLU CA C 104 57.034 57.034 57.490 -0.456 25442 5491 1 11 . 1 1 104 104 GLU CB C 104 30.351 30.351 27.420 2.931 25442 5492 1 11 . 1 1 104 104 GLU H H 104 8.325 8.325 8.269 0.056 25442 5493 1 11 . 1 1 105 105 GLU N N 105 121.479 121.479 118.013 3.466 25442 5494 1 11 . 1 1 105 105 GLU HA H 105 4.264 4.264 4.057 0.207 25442 5495 1 11 . 1 1 105 105 GLU CA C 105 56.802 56.802 58.836 -2.034 25442 5496 1 11 . 1 1 105 105 GLU CB C 105 30.351 30.351 29.844 0.507 25442 5497 1 11 . 1 1 105 105 GLU H H 105 8.288 8.288 8.638 -0.350 25442 5498 1 11 . 1 1 106 106 LEU N N 106 122.549 122.549 113.616 8.933 25442 5499 1 11 . 1 1 106 106 LEU HA H 106 4.316 4.316 4.415 -0.099 25442 5500 1 11 . 1 1 106 106 LEU CA C 106 55.545 55.545 55.879 -0.334 25442 5501 1 11 . 1 1 106 106 LEU CB C 106 42.538 42.538 42.024 0.514 25442 5502 1 11 . 1 1 106 106 LEU H H 106 8.154 8.154 8.036 0.118 25442 5503 1 11 . 1 1 107 107 ASP N N 107 120.656 120.656 119.845 0.811 25442 5504 1 11 . 1 1 107 107 ASP HA H 107 4.587 4.587 4.399 0.188 25442 5505 1 11 . 1 1 107 107 ASP CA C 107 54.715 54.715 55.088 -0.373 25442 5506 1 11 . 1 1 107 107 ASP CB C 107 41.125 41.125 41.251 -0.126 25442 5507 1 11 . 1 1 107 107 ASP H H 107 8.273 8.273 7.653 0.620 25442 5508 1 11 . 1 1 108 108 ARG N N 108 120.710 120.710 118.387 2.323 25442 5509 1 11 . 1 1 108 108 ARG HA H 108 4.272 4.272 3.877 0.395 25442 5510 1 11 . 1 1 108 108 ARG CA C 108 56.778 56.778 58.892 -2.114 25442 5511 1 11 . 1 1 108 108 ARG CB C 108 30.835 30.835 29.276 1.559 25442 5512 1 11 . 1 1 108 108 ARG H H 108 8.041 8.041 8.472 -0.431 25442 5513 1 11 . 1 1 109 109 ASP N N 109 120.647 120.647 118.226 2.421 25442 5514 1 11 . 1 1 109 109 ASP CA C 109 54.862 54.862 55.323 -0.461 25442 5515 1 11 . 1 1 109 109 ASP H H 109 8.331 8.331 8.239 0.092 25442 5516 1 11 . 1 1 110 110 ILE N N 110 120.220 120.220 115.843 4.377 25442 5517 1 11 . 1 1 110 110 ILE HA H 110 4.140 4.140 3.777 0.363 25442 5518 1 11 . 1 1 110 110 ILE CA C 110 61.760 61.760 61.844 -0.084 25442 5519 1 11 . 1 1 110 110 ILE CB C 110 38.643 38.643 37.862 0.781 25442 5520 1 11 . 1 1 110 110 ILE H H 110 7.910 7.910 7.448 0.462 25442 5521 1 11 . 1 1 111 111 VAL N N 111 122.698 122.698 118.721 3.977 25442 5522 1 11 . 1 1 111 111 VAL HA H 111 4.095 4.095 3.833 0.262 25442 5523 1 11 . 1 1 111 111 VAL CA C 111 62.982 62.982 65.537 -2.555 25442 5524 1 11 . 1 1 111 111 VAL CB C 111 32.438 32.438 31.429 1.009 25442 5525 1 11 . 1 1 111 111 VAL H H 111 8.018 8.018 8.401 -0.383 25442 5526 1 11 . 1 1 112 112 SER HA H 112 4.439 4.439 4.272 0.167 25442 5527 1 11 . 1 1 112 112 SER CA C 112 58.581 58.581 60.408 -1.827 25442 5528 1 11 . 1 1 112 112 SER CB C 112 63.717 63.717 62.865 0.851 25442 5529 1 11 . 1 1 114 114 ASN HA H 114 4.690 4.690 4.760 -0.070 25442 5530 1 11 . 1 1 114 114 ASN CA C 114 53.462 53.462 52.234 1.228 25442 5531 1 11 . 1 1 114 114 ASN CB C 114 39.073 39.073 38.370 0.703 25442 5532 1 11 . 1 1 115 115 ASN HA H 115 4.690 4.690 4.329 0.361 25442 5533 1 11 . 1 1 115 115 ASN CA C 115 53.476 53.476 54.209 -0.733 25442 5534 1 11 . 1 1 115 115 ASN CB C 115 39.073 39.073 36.804 2.269 25442 5535 1 11 . 1 1 116 116 ALA N N 116 123.691 123.691 120.352 3.339 25442 5536 1 11 . 1 1 116 116 ALA HA H 116 4.355 4.355 4.076 0.279 25442 5537 1 11 . 1 1 116 116 ALA CA C 116 52.748 52.748 54.002 -1.254 25442 5538 1 11 . 1 1 116 116 ALA CB C 116 19.559 19.559 18.662 0.897 25442 5539 1 11 . 1 1 116 116 ALA H H 116 8.144 8.144 8.380 -0.236 25442 5540 1 11 . 1 1 117 117 GLU N N 117 120.174 120.174 116.962 3.212 25442 5541 1 11 . 1 1 117 117 GLU HA H 117 4.284 4.284 4.148 0.136 25442 5542 1 11 . 1 1 117 117 GLU CA C 117 56.731 56.731 57.894 -1.163 25442 5543 1 11 . 1 1 117 117 GLU CB C 117 29.944 29.944 29.981 -0.037 25442 5544 1 11 . 1 1 117 117 GLU H H 117 8.234 8.234 8.674 -0.440 25442 5545 1 12 . 1 1 2 2 ALA HA H 2 4.335 4.335 4.645 -0.310 25442 5546 1 12 . 1 1 2 2 ALA CA C 2 53.634 53.634 51.730 1.904 25442 5547 1 12 . 1 1 2 2 ALA CB C 2 19.441 19.441 20.836 -1.395 25442 5548 1 12 . 1 1 3 3 MET N N 3 120.791 120.791 120.868 -0.077 25442 5549 1 12 . 1 1 3 3 MET HA H 3 4.499 4.499 4.502 -0.003 25442 5550 1 12 . 1 1 3 3 MET CA C 3 55.772 55.772 55.511 0.261 25442 5551 1 12 . 1 1 3 3 MET CB C 3 32.968 32.968 33.203 -0.235 25442 5552 1 12 . 1 1 3 3 MET H H 3 8.636 8.636 8.449 0.187 25442 5553 1 12 . 1 1 4 4 GLY N N 4 109.879 109.879 114.328 -4.449 25442 5554 1 12 . 1 1 4 4 GLY CA C 4 45.531 45.531 45.021 0.510 25442 5555 1 12 . 1 1 4 4 GLY H H 4 8.391 8.391 8.670 -0.279 25442 5556 1 12 . 1 1 5 5 ASN N N 5 124.309 124.309 119.800 4.509 25442 5557 1 12 . 1 1 5 5 ASN HA H 5 4.661 4.661 4.300 0.361 25442 5558 1 12 . 1 1 5 5 ASN CA C 5 53.419 53.419 53.714 -0.295 25442 5559 1 12 . 1 1 5 5 ASN CB C 5 39.059 39.059 38.846 0.213 25442 5560 1 12 . 1 1 5 5 ASN H H 5 7.954 7.954 8.219 -0.265 25442 5561 1 12 . 1 1 7 7 TYR N N 7 120.088 120.088 118.003 2.085 25442 5562 1 12 . 1 1 7 7 TYR HA H 7 4.463 4.463 4.636 -0.173 25442 5563 1 12 . 1 1 7 7 TYR CA C 7 58.098 58.098 57.142 0.956 25442 5564 1 12 . 1 1 7 7 TYR CB C 7 38.252 38.252 41.394 -3.142 25442 5565 1 12 . 1 1 7 7 TYR H H 7 8.013 8.013 8.319 -0.306 25442 5566 1 12 . 1 1 8 8 LYS N N 8 121.766 121.766 122.290 -0.524 25442 5567 1 12 . 1 1 8 8 LYS HA H 8 4.174 4.174 4.073 0.101 25442 5568 1 12 . 1 1 8 8 LYS CA C 8 56.835 56.835 57.285 -0.450 25442 5569 1 12 . 1 1 8 8 LYS CB C 8 32.997 32.997 32.580 0.417 25442 5570 1 12 . 1 1 8 8 LYS H H 8 7.845 7.845 8.558 -0.713 25442 5571 1 12 . 1 1 9 9 ASP N N 9 119.739 119.739 122.325 -2.586 25442 5572 1 12 . 1 1 9 9 ASP HA H 9 4.477 4.477 4.696 -0.219 25442 5573 1 12 . 1 1 9 9 ASP CA C 9 54.660 54.660 53.458 1.202 25442 5574 1 12 . 1 1 9 9 ASP CB C 9 41.100 41.100 43.081 -1.981 25442 5575 1 12 . 1 1 9 9 ASP H H 9 8.043 8.043 8.288 -0.245 25442 5576 1 12 . 1 1 10 10 ASN N N 10 119.260 119.260 122.890 -3.630 25442 5577 1 12 . 1 1 10 10 ASN HA H 10 4.875 4.875 4.773 0.102 25442 5578 1 12 . 1 1 10 10 ASN CA C 10 53.255 53.255 52.812 0.443 25442 5579 1 12 . 1 1 10 10 ASN CB C 10 39.105 39.105 39.054 0.051 25442 5580 1 12 . 1 1 10 10 ASN H H 10 8.174 8.174 8.626 -0.452 25442 5581 1 12 . 1 1 11 11 ALA N N 11 122.869 122.869 123.271 -0.402 25442 5582 1 12 . 1 1 11 11 ALA HA H 11 4.544 4.544 4.343 0.201 25442 5583 1 12 . 1 1 11 11 ALA CA C 11 52.866 52.866 53.002 -0.136 25442 5584 1 12 . 1 1 11 11 ALA H H 11 8.299 8.299 8.392 -0.093 25442 5585 1 12 . 1 1 12 12 TYR N N 12 117.351 117.351 121.671 -4.320 25442 5586 1 12 . 1 1 12 12 TYR HA H 12 5.220 5.220 5.412 -0.192 25442 5587 1 12 . 1 1 12 12 TYR CA C 12 57.621 57.621 57.541 0.080 25442 5588 1 12 . 1 1 12 12 TYR CB C 12 41.631 41.631 42.586 -0.955 25442 5589 1 12 . 1 1 12 12 TYR H H 12 8.340 8.340 8.383 -0.043 25442 5590 1 12 . 1 1 13 13 ILE N N 13 112.184 112.184 120.981 -8.797 25442 5591 1 12 . 1 1 13 13 ILE HA H 13 5.052 5.052 4.653 0.399 25442 5592 1 12 . 1 1 13 13 ILE CA C 13 59.995 59.995 59.940 0.055 25442 5593 1 12 . 1 1 13 13 ILE CB C 13 40.418 40.418 40.393 0.025 25442 5594 1 12 . 1 1 13 13 ILE H H 13 9.216 9.216 9.327 -0.111 25442 5595 1 12 . 1 1 14 14 TYR N N 14 123.504 123.504 129.084 -5.580 25442 5596 1 12 . 1 1 14 14 TYR HA H 14 4.690 4.690 4.817 -0.127 25442 5597 1 12 . 1 1 14 14 TYR CA C 14 56.688 56.688 57.363 -0.675 25442 5598 1 12 . 1 1 14 14 TYR CB C 14 40.564 40.564 40.256 0.308 25442 5599 1 12 . 1 1 14 14 TYR H H 14 9.086 9.086 9.264 -0.178 25442 5600 1 12 . 1 1 15 15 ILE N N 15 127.611 127.611 128.662 -1.051 25442 5601 1 12 . 1 1 15 15 ILE HA H 15 4.288 4.288 4.755 -0.467 25442 5602 1 12 . 1 1 15 15 ILE CA C 15 59.654 59.654 59.711 -0.057 25442 5603 1 12 . 1 1 15 15 ILE CB C 15 40.260 40.260 39.227 1.033 25442 5604 1 12 . 1 1 15 15 ILE H H 15 8.448 8.448 8.097 0.351 25442 5605 1 12 . 1 1 16 16 GLY N N 16 112.660 112.660 112.293 0.367 25442 5606 1 12 . 1 1 16 16 GLY CA C 16 43.240 43.240 42.969 0.271 25442 5607 1 12 . 1 1 16 16 GLY H H 16 9.438 9.438 8.066 1.372 25442 5608 1 12 . 1 1 17 17 ASN N N 17 114.980 114.980 116.441 -1.461 25442 5609 1 12 . 1 1 17 17 ASN HA H 17 4.439 4.439 4.405 0.034 25442 5610 1 12 . 1 1 17 17 ASN CA C 17 53.251 53.251 54.016 -0.765 25442 5611 1 12 . 1 1 17 17 ASN CB C 17 38.259 38.259 37.678 0.581 25442 5612 1 12 . 1 1 17 17 ASN H H 17 8.497 8.497 8.530 -0.033 25442 5613 1 12 . 1 1 18 18 LEU N N 18 115.182 115.182 115.580 -0.398 25442 5614 1 12 . 1 1 18 18 LEU HA H 18 4.068 4.068 4.788 -0.720 25442 5615 1 12 . 1 1 18 18 LEU CA C 18 54.073 54.073 54.042 0.031 25442 5616 1 12 . 1 1 18 18 LEU CB C 18 42.912 42.912 43.715 -0.803 25442 5617 1 12 . 1 1 18 18 LEU H H 18 7.859 7.859 7.395 0.464 25442 5618 1 12 . 1 1 19 19 ASN N N 19 122.392 122.392 118.862 3.530 25442 5619 1 12 . 1 1 19 19 ASN HA H 19 4.464 4.464 4.784 -0.320 25442 5620 1 12 . 1 1 19 19 ASN CA C 19 54.087 54.087 53.170 0.917 25442 5621 1 12 . 1 1 19 19 ASN CB C 19 38.703 38.703 39.431 -0.728 25442 5622 1 12 . 1 1 19 19 ASN H H 19 8.727 8.727 8.677 0.050 25442 5623 1 12 . 1 1 20 20 ARG N N 20 126.283 126.283 125.995 0.288 25442 5624 1 12 . 1 1 20 20 ARG HA H 20 3.937 3.937 4.003 -0.066 25442 5625 1 12 . 1 1 20 20 ARG CA C 20 58.719 58.719 58.686 0.033 25442 5626 1 12 . 1 1 20 20 ARG CB C 20 29.719 29.719 29.854 -0.135 25442 5627 1 12 . 1 1 20 20 ARG H H 20 8.940 8.940 8.794 0.146 25442 5628 1 12 . 1 1 21 21 GLU N N 21 117.166 117.166 117.744 -0.578 25442 5629 1 12 . 1 1 21 21 GLU HA H 21 4.321 4.321 4.143 0.178 25442 5630 1 12 . 1 1 21 21 GLU CA C 21 56.778 56.778 57.577 -0.799 25442 5631 1 12 . 1 1 21 21 GLU H H 21 8.867 8.867 8.165 0.702 25442 5632 1 12 . 1 1 22 22 LEU N N 22 119.643 119.643 119.917 -0.274 25442 5633 1 12 . 1 1 22 22 LEU HA H 22 4.540 4.540 4.336 0.204 25442 5634 1 12 . 1 1 22 22 LEU CA C 22 55.505 55.505 54.961 0.544 25442 5635 1 12 . 1 1 22 22 LEU CB C 22 42.251 42.251 42.072 0.180 25442 5636 1 12 . 1 1 22 22 LEU H H 22 7.324 7.324 7.508 -0.184 25442 5637 1 12 . 1 1 23 23 THR N N 23 114.564 114.564 114.841 -0.277 25442 5638 1 12 . 1 1 23 23 THR HA H 23 4.483 4.483 4.526 -0.043 25442 5639 1 12 . 1 1 23 23 THR CA C 23 60.155 60.155 59.903 0.252 25442 5640 1 12 . 1 1 23 23 THR CB C 23 73.000 73.000 70.774 2.226 25442 5641 1 12 . 1 1 23 23 THR H H 23 9.483 9.483 7.900 1.583 25442 5642 1 12 . 1 1 24 24 GLU N N 24 120.458 120.458 120.339 0.119 25442 5643 1 12 . 1 1 24 24 GLU HA H 24 3.604 3.604 4.040 -0.436 25442 5644 1 12 . 1 1 24 24 GLU CA C 24 62.158 62.158 60.603 1.555 25442 5645 1 12 . 1 1 24 24 GLU H H 24 10.410 10.410 8.893 1.517 25442 5646 1 12 . 1 1 25 25 GLY N N 25 105.261 105.261 107.428 -2.167 25442 5647 1 12 . 1 1 25 25 GLY CA C 25 47.219 47.219 46.807 0.412 25442 5648 1 12 . 1 1 25 25 GLY H H 25 8.402 8.402 8.188 0.214 25442 5649 1 12 . 1 1 26 26 ASP N N 26 122.820 122.820 122.593 0.227 25442 5650 1 12 . 1 1 26 26 ASP HA H 26 4.515 4.515 4.481 0.034 25442 5651 1 12 . 1 1 26 26 ASP CA C 26 58.005 58.005 56.724 1.281 25442 5652 1 12 . 1 1 26 26 ASP CB C 26 41.261 41.261 40.802 0.459 25442 5653 1 12 . 1 1 26 26 ASP H H 26 7.539 7.539 7.551 -0.012 25442 5654 1 12 . 1 1 27 27 ILE N N 27 118.686 118.686 120.660 -1.974 25442 5655 1 12 . 1 1 27 27 ILE HA H 27 3.609 3.609 3.802 -0.193 25442 5656 1 12 . 1 1 27 27 ILE CA C 27 65.348 65.348 65.153 0.195 25442 5657 1 12 . 1 1 27 27 ILE CB C 27 37.789 37.789 38.083 -0.294 25442 5658 1 12 . 1 1 27 27 ILE H H 27 7.832 7.832 8.001 -0.169 25442 5659 1 12 . 1 1 28 28 LEU N N 28 119.737 119.737 120.663 -0.926 25442 5660 1 12 . 1 1 28 28 LEU HA H 28 3.790 3.790 3.889 -0.099 25442 5661 1 12 . 1 1 28 28 LEU CA C 28 59.040 59.040 58.694 0.346 25442 5662 1 12 . 1 1 28 28 LEU CB C 28 42.520 42.520 41.591 0.929 25442 5663 1 12 . 1 1 28 28 LEU H H 28 8.731 8.731 8.556 0.175 25442 5664 1 12 . 1 1 29 29 THR N N 29 119.509 119.509 115.590 3.919 25442 5665 1 12 . 1 1 29 29 THR HA H 29 4.045 4.045 3.923 0.122 25442 5666 1 12 . 1 1 29 29 THR CA C 29 67.196 67.196 66.950 0.246 25442 5667 1 12 . 1 1 29 29 THR CB C 29 69.194 69.194 68.776 0.418 25442 5668 1 12 . 1 1 29 29 THR H H 29 8.251 8.251 7.740 0.511 25442 5669 1 12 . 1 1 30 30 VAL N N 30 117.974 117.974 121.152 -3.178 25442 5670 1 12 . 1 1 30 30 VAL HA H 30 3.869 3.869 3.772 0.097 25442 5671 1 12 . 1 1 30 30 VAL CA C 30 65.727 65.727 65.621 0.106 25442 5672 1 12 . 1 1 30 30 VAL CB C 30 32.912 32.912 31.744 1.168 25442 5673 1 12 . 1 1 30 30 VAL H H 30 7.627 7.627 7.665 -0.038 25442 5674 1 12 . 1 1 31 31 PHE N N 31 113.937 113.937 115.433 -1.496 25442 5675 1 12 . 1 1 31 31 PHE HA H 31 3.908 3.908 4.719 -0.811 25442 5676 1 12 . 1 1 31 31 PHE CA C 31 62.044 62.044 59.647 2.397 25442 5677 1 12 . 1 1 31 31 PHE CB C 31 37.217 37.217 39.558 -2.341 25442 5678 1 12 . 1 1 31 31 PHE H H 31 8.903 8.903 8.288 0.615 25442 5679 1 12 . 1 1 32 32 SER N N 32 118.854 118.854 117.329 1.525 25442 5680 1 12 . 1 1 32 32 SER HA H 32 5.405 5.405 4.059 1.346 25442 5681 1 12 . 1 1 32 32 SER CA C 32 61.282 61.282 61.995 -0.713 25442 5682 1 12 . 1 1 32 32 SER CB C 32 64.055 64.055 62.899 1.156 25442 5683 1 12 . 1 1 32 32 SER H H 32 8.024 8.024 8.557 -0.533 25442 5684 1 12 . 1 1 33 33 GLU N N 33 121.203 121.203 118.332 2.871 25442 5685 1 12 . 1 1 33 33 GLU HA H 33 2.246 2.246 3.982 -1.736 25442 5686 1 12 . 1 1 33 33 GLU CA C 33 59.596 59.596 57.785 1.811 25442 5687 1 12 . 1 1 33 33 GLU H H 33 6.935 6.935 7.771 -0.836 25442 5688 1 12 . 1 1 34 34 TYR N N 34 108.039 108.039 119.149 -11.110 25442 5689 1 12 . 1 1 34 34 TYR HA H 34 4.953 4.953 4.661 0.292 25442 5690 1 12 . 1 1 34 34 TYR CA C 34 57.226 57.226 55.569 1.657 25442 5691 1 12 . 1 1 34 34 TYR CB C 34 38.821 38.821 37.508 1.313 25442 5692 1 12 . 1 1 34 34 TYR H H 34 6.254 6.254 7.316 -1.062 25442 5693 1 12 . 1 1 35 35 GLY N N 35 103.601 103.601 107.854 -4.253 25442 5694 1 12 . 1 1 35 35 GLY CA C 35 44.594 44.594 44.579 0.015 25442 5695 1 12 . 1 1 35 35 GLY H H 35 7.247 7.247 7.517 -0.270 25442 5696 1 12 . 1 1 36 36 VAL N N 36 120.482 120.482 123.131 -2.649 25442 5697 1 12 . 1 1 36 36 VAL HA H 36 4.537 4.537 4.224 0.313 25442 5698 1 12 . 1 1 36 36 VAL CA C 36 59.942 59.942 61.161 -1.219 25442 5699 1 12 . 1 1 36 36 VAL CB C 36 33.989 33.989 33.548 0.441 25442 5700 1 12 . 1 1 36 36 VAL H H 36 8.549 8.549 7.742 0.807 25442 5701 1 12 . 1 1 37 37 PRO HA H 37 4.543 4.543 4.673 -0.130 25442 5702 1 12 . 1 1 37 37 PRO CA C 37 62.043 62.043 62.482 -0.439 25442 5703 1 12 . 1 1 37 37 PRO CB C 37 31.531 31.531 32.473 -0.942 25442 5704 1 12 . 1 1 38 38 VAL N N 38 118.566 118.566 114.791 3.775 25442 5705 1 12 . 1 1 38 38 VAL HA H 38 4.439 4.439 4.346 0.093 25442 5706 1 12 . 1 1 38 38 VAL CA C 38 61.064 61.064 62.204 -1.140 25442 5707 1 12 . 1 1 38 38 VAL CB C 38 32.842 32.842 32.538 0.303 25442 5708 1 12 . 1 1 38 38 VAL H H 38 9.099 9.099 8.132 0.967 25442 5709 1 12 . 1 1 39 39 ASP N N 39 118.912 118.912 120.650 -1.738 25442 5710 1 12 . 1 1 39 39 ASP HA H 39 4.920 4.920 4.798 0.122 25442 5711 1 12 . 1 1 39 39 ASP CA C 39 54.860 54.860 54.260 0.600 25442 5712 1 12 . 1 1 39 39 ASP CB C 39 44.441 44.441 44.788 -0.347 25442 5713 1 12 . 1 1 39 39 ASP H H 39 7.300 7.300 7.608 -0.308 25442 5714 1 12 . 1 1 40 40 VAL N N 40 123.365 123.365 123.429 -0.064 25442 5715 1 12 . 1 1 40 40 VAL HA H 40 4.759 4.759 4.654 0.105 25442 5716 1 12 . 1 1 40 40 VAL CA C 40 61.259 61.259 60.801 0.458 25442 5717 1 12 . 1 1 40 40 VAL CB C 40 34.464 34.464 34.105 0.359 25442 5718 1 12 . 1 1 40 40 VAL H H 40 8.052 8.052 8.378 -0.326 25442 5719 1 12 . 1 1 41 41 ILE N N 41 127.951 127.951 128.066 -0.115 25442 5720 1 12 . 1 1 41 41 ILE HA H 41 4.361 4.361 4.250 0.111 25442 5721 1 12 . 1 1 41 41 ILE CA C 41 60.204 60.204 60.871 -0.667 25442 5722 1 12 . 1 1 41 41 ILE CB C 41 41.220 41.220 38.720 2.500 25442 5723 1 12 . 1 1 41 41 ILE H H 41 9.031 9.031 8.422 0.609 25442 5724 1 12 . 1 1 42 42 LEU N N 42 130.034 130.034 130.627 -0.593 25442 5725 1 12 . 1 1 42 42 LEU HA H 42 4.415 4.415 4.551 -0.136 25442 5726 1 12 . 1 1 42 42 LEU CA C 42 53.832 53.832 53.552 0.280 25442 5727 1 12 . 1 1 42 42 LEU CB C 42 44.353 44.353 40.779 3.574 25442 5728 1 12 . 1 1 42 42 LEU H H 42 8.935 8.935 8.690 0.245 25442 5729 1 12 . 1 1 43 43 SER N N 43 121.977 121.977 119.092 2.885 25442 5730 1 12 . 1 1 43 43 SER HA H 43 4.092 4.092 4.459 -0.367 25442 5731 1 12 . 1 1 43 43 SER CA C 43 59.298 59.298 58.426 0.872 25442 5732 1 12 . 1 1 43 43 SER CB C 43 62.879 62.879 63.863 -0.984 25442 5733 1 12 . 1 1 43 43 SER H H 43 8.088 8.088 8.001 0.087 25442 5734 1 12 . 1 1 44 44 ARG N N 44 125.852 125.852 118.724 7.128 25442 5735 1 12 . 1 1 44 44 ARG HA H 44 4.906 4.906 4.556 0.350 25442 5736 1 12 . 1 1 44 44 ARG CA C 44 54.363 54.363 55.050 -0.687 25442 5737 1 12 . 1 1 44 44 ARG CB C 44 34.095 34.095 32.751 1.344 25442 5738 1 12 . 1 1 44 44 ARG H H 44 8.081 8.081 8.358 -0.277 25442 5739 1 12 . 1 1 45 45 ASP N N 45 123.150 123.150 121.359 1.791 25442 5740 1 12 . 1 1 45 45 ASP HA H 45 4.425 4.425 4.837 -0.412 25442 5741 1 12 . 1 1 45 45 ASP CA C 45 54.728 54.728 53.219 1.509 25442 5742 1 12 . 1 1 45 45 ASP CB C 45 43.318 43.318 41.751 1.567 25442 5743 1 12 . 1 1 45 45 ASP H H 45 8.594 8.594 8.409 0.185 25442 5744 1 12 . 1 1 46 46 GLU N N 46 127.786 127.786 126.431 1.355 25442 5745 1 12 . 1 1 46 46 GLU HA H 46 4.048 4.048 4.129 -0.081 25442 5746 1 12 . 1 1 46 46 GLU CA C 46 59.018 59.018 58.444 0.574 25442 5747 1 12 . 1 1 46 46 GLU CB C 46 29.870 29.870 29.521 0.349 25442 5748 1 12 . 1 1 46 46 GLU H H 46 9.250 9.250 8.799 0.451 25442 5749 1 12 . 1 1 47 47 ASN N N 47 116.105 116.105 117.120 -1.015 25442 5750 1 12 . 1 1 47 47 ASN HA H 47 4.825 4.825 4.580 0.245 25442 5751 1 12 . 1 1 47 47 ASN CA C 47 55.321 55.321 55.811 -0.490 25442 5752 1 12 . 1 1 47 47 ASN CB C 47 39.927 39.927 38.787 1.140 25442 5753 1 12 . 1 1 47 47 ASN H H 47 8.857 8.857 8.673 0.184 25442 5754 1 12 . 1 1 48 48 THR N N 48 108.395 108.395 111.056 -2.661 25442 5755 1 12 . 1 1 48 48 THR HA H 48 4.461 4.461 4.542 -0.081 25442 5756 1 12 . 1 1 48 48 THR CA C 48 61.883 61.883 61.548 0.334 25442 5757 1 12 . 1 1 48 48 THR CB C 48 71.194 71.194 70.036 1.158 25442 5758 1 12 . 1 1 48 48 THR H H 48 8.539 8.539 7.570 0.969 25442 5759 1 12 . 1 1 49 49 GLY N N 49 110.910 110.910 112.063 -1.153 25442 5760 1 12 . 1 1 49 49 GLY CA C 49 45.706 45.706 45.634 0.072 25442 5761 1 12 . 1 1 49 49 GLY H H 49 8.293 8.293 8.189 0.104 25442 5762 1 12 . 1 1 50 50 GLU N N 50 120.328 120.328 119.780 0.548 25442 5763 1 12 . 1 1 50 50 GLU HA H 50 4.162 4.162 4.639 -0.477 25442 5764 1 12 . 1 1 50 50 GLU CA C 50 56.540 56.540 54.795 1.745 25442 5765 1 12 . 1 1 50 50 GLU CB C 50 30.948 30.948 32.800 -1.852 25442 5766 1 12 . 1 1 50 50 GLU H H 50 7.854 7.854 7.769 0.085 25442 5767 1 12 . 1 1 51 51 SER N N 51 117.235 117.235 119.844 -2.609 25442 5768 1 12 . 1 1 51 51 SER HA H 51 4.391 4.391 4.535 -0.144 25442 5769 1 12 . 1 1 51 51 SER CA C 51 58.361 58.361 58.000 0.361 25442 5770 1 12 . 1 1 51 51 SER CB C 51 64.438 64.438 64.362 0.076 25442 5771 1 12 . 1 1 51 51 SER H H 51 8.950 8.950 8.812 0.138 25442 5772 1 12 . 1 1 52 52 GLN N N 52 122.996 122.996 122.604 0.392 25442 5773 1 12 . 1 1 52 52 GLN HA H 52 4.516 4.516 4.506 0.010 25442 5774 1 12 . 1 1 52 52 GLN CA C 52 55.406 55.406 56.205 -0.799 25442 5775 1 12 . 1 1 52 52 GLN CB C 52 29.624 29.624 29.426 0.198 25442 5776 1 12 . 1 1 52 52 GLN H H 52 8.929 8.929 9.051 -0.122 25442 5777 1 12 . 1 1 53 53 GLY N N 53 106.139 106.139 106.819 -0.680 25442 5778 1 12 . 1 1 53 53 GLY CA C 53 46.434 46.434 44.856 1.578 25442 5779 1 12 . 1 1 53 53 GLY H H 53 8.876 8.876 8.719 0.157 25442 5780 1 12 . 1 1 54 54 PHE N N 54 112.294 112.294 115.118 -2.824 25442 5781 1 12 . 1 1 54 54 PHE HA H 54 5.436 5.436 5.702 -0.266 25442 5782 1 12 . 1 1 54 54 PHE CA C 54 55.464 55.464 53.897 1.567 25442 5783 1 12 . 1 1 54 54 PHE CB C 54 41.207 41.207 41.268 -0.061 25442 5784 1 12 . 1 1 54 54 PHE H H 54 6.938 6.938 7.665 -0.727 25442 5785 1 12 . 1 1 55 55 ALA N N 55 121.935 121.935 121.841 0.094 25442 5786 1 12 . 1 1 55 55 ALA HA H 55 5.051 5.051 4.212 0.839 25442 5787 1 12 . 1 1 55 55 ALA CA C 55 49.517 49.517 51.422 -1.905 25442 5788 1 12 . 1 1 55 55 ALA CB C 55 24.966 24.966 22.063 2.903 25442 5789 1 12 . 1 1 55 55 ALA H H 55 9.098 9.098 8.334 0.764 25442 5790 1 12 . 1 1 56 56 TYR N N 56 114.799 114.799 117.447 -2.648 25442 5791 1 12 . 1 1 56 56 TYR HA H 56 5.652 5.652 5.357 0.295 25442 5792 1 12 . 1 1 56 56 TYR CA C 56 56.128 56.128 57.152 -1.024 25442 5793 1 12 . 1 1 56 56 TYR CB C 56 42.405 42.405 41.464 0.941 25442 5794 1 12 . 1 1 56 56 TYR H H 56 8.572 8.572 8.086 0.486 25442 5795 1 12 . 1 1 57 57 LEU N N 57 123.129 123.129 123.134 -0.005 25442 5796 1 12 . 1 1 57 57 LEU HA H 57 5.100 5.100 4.683 0.417 25442 5797 1 12 . 1 1 57 57 LEU CA C 57 54.552 54.552 54.176 0.376 25442 5798 1 12 . 1 1 57 57 LEU H H 57 8.600 8.600 9.392 -0.792 25442 5799 1 12 . 1 1 58 58 LYS N N 58 126.556 126.556 126.836 -0.280 25442 5800 1 12 . 1 1 58 58 LYS HA H 58 4.553 4.553 4.312 0.241 25442 5801 1 12 . 1 1 58 58 LYS CA C 58 54.518 54.518 53.976 0.542 25442 5802 1 12 . 1 1 58 58 LYS CB C 58 36.254 36.254 33.697 2.557 25442 5803 1 12 . 1 1 58 58 LYS H H 58 8.389 8.389 8.111 0.278 25442 5804 1 12 . 1 1 59 59 TYR N N 59 126.761 126.761 125.951 0.810 25442 5805 1 12 . 1 1 59 59 TYR HA H 59 5.061 5.061 4.461 0.600 25442 5806 1 12 . 1 1 59 59 TYR CA C 59 58.271 58.271 57.378 0.893 25442 5807 1 12 . 1 1 59 59 TYR H H 59 9.035 9.035 8.537 0.498 25442 5808 1 12 . 1 1 60 60 GLU N N 60 120.097 120.097 118.735 1.362 25442 5809 1 12 . 1 1 60 60 GLU HA H 60 3.890 3.890 3.926 -0.036 25442 5810 1 12 . 1 1 60 60 GLU CA C 60 59.244 59.244 57.946 1.298 25442 5811 1 12 . 1 1 60 60 GLU CB C 60 31.145 31.145 30.282 0.863 25442 5812 1 12 . 1 1 60 60 GLU H H 60 8.796 8.796 7.035 1.761 25442 5813 1 12 . 1 1 61 61 ASP N N 61 117.697 117.697 119.771 -2.074 25442 5814 1 12 . 1 1 61 61 ASP HA H 61 4.842 4.842 4.917 -0.075 25442 5815 1 12 . 1 1 61 61 ASP CA C 61 51.550 51.550 53.230 -1.679 25442 5816 1 12 . 1 1 61 61 ASP CB C 61 43.258 43.258 41.742 1.516 25442 5817 1 12 . 1 1 61 61 ASP H H 61 8.006 8.006 8.447 -0.441 25442 5818 1 12 . 1 1 62 62 GLN N N 62 126.321 126.321 124.256 2.065 25442 5819 1 12 . 1 1 62 62 GLN HA H 62 4.223 4.223 4.068 0.155 25442 5820 1 12 . 1 1 62 62 GLN CA C 62 58.637 58.637 58.920 -0.283 25442 5821 1 12 . 1 1 62 62 GLN CB C 62 27.994 27.994 28.275 -0.281 25442 5822 1 12 . 1 1 62 62 GLN H H 62 9.053 9.053 9.034 0.019 25442 5823 1 12 . 1 1 63 63 ARG N N 63 121.086 121.086 119.749 1.337 25442 5824 1 12 . 1 1 63 63 ARG HA H 63 3.654 3.654 4.202 -0.548 25442 5825 1 12 . 1 1 63 63 ARG CA C 63 58.971 58.971 58.819 0.152 25442 5826 1 12 . 1 1 63 63 ARG H H 63 8.960 8.960 8.601 0.359 25442 5827 1 12 . 1 1 64 64 SER N N 64 114.891 114.891 113.883 1.008 25442 5828 1 12 . 1 1 64 64 SER HA H 64 3.704 3.704 4.207 -0.503 25442 5829 1 12 . 1 1 64 64 SER CA C 64 63.589 63.589 61.319 2.270 25442 5830 1 12 . 1 1 64 64 SER H H 64 8.143 8.143 8.455 -0.312 25442 5831 1 12 . 1 1 65 65 THR N N 65 111.019 111.019 116.227 -5.208 25442 5832 1 12 . 1 1 65 65 THR HA H 65 3.765 3.765 4.047 -0.282 25442 5833 1 12 . 1 1 65 65 THR CA C 65 66.198 66.198 64.907 1.291 25442 5834 1 12 . 1 1 65 65 THR CB C 65 68.461 68.461 68.295 0.166 25442 5835 1 12 . 1 1 65 65 THR H H 65 7.633 7.633 7.511 0.122 25442 5836 1 12 . 1 1 66 66 ILE N N 66 123.242 123.242 122.165 1.077 25442 5837 1 12 . 1 1 66 66 ILE HA H 66 3.673 3.673 3.812 -0.139 25442 5838 1 12 . 1 1 66 66 ILE CA C 66 64.506 64.506 64.990 -0.484 25442 5839 1 12 . 1 1 66 66 ILE CB C 66 38.668 38.668 37.467 1.201 25442 5840 1 12 . 1 1 66 66 ILE H H 66 6.648 6.648 7.507 -0.859 25442 5841 1 12 . 1 1 67 67 LEU N N 67 113.375 113.375 120.423 -7.048 25442 5842 1 12 . 1 1 67 67 LEU HA H 67 3.627 3.627 3.847 -0.220 25442 5843 1 12 . 1 1 67 67 LEU CA C 67 57.678 57.678 58.144 -0.466 25442 5844 1 12 . 1 1 67 67 LEU CB C 67 41.866 41.866 41.627 0.239 25442 5845 1 12 . 1 1 67 67 LEU H H 67 6.899 6.899 7.508 -0.609 25442 5846 1 12 . 1 1 68 68 ALA N N 68 120.327 120.327 120.149 0.178 25442 5847 1 12 . 1 1 68 68 ALA HA H 68 3.406 3.406 3.629 -0.223 25442 5848 1 12 . 1 1 68 68 ALA CA C 68 55.643 55.643 54.882 0.761 25442 5849 1 12 . 1 1 68 68 ALA CB C 68 19.395 19.395 18.241 1.153 25442 5850 1 12 . 1 1 68 68 ALA H H 68 8.201 8.201 7.583 0.618 25442 5851 1 12 . 1 1 69 69 VAL N N 69 118.977 118.977 118.947 0.030 25442 5852 1 12 . 1 1 69 69 VAL HA H 69 3.221 3.221 3.649 -0.428 25442 5853 1 12 . 1 1 69 69 VAL CA C 69 67.039 67.039 67.309 -0.270 25442 5854 1 12 . 1 1 69 69 VAL CB C 69 31.896 31.896 31.833 0.063 25442 5855 1 12 . 1 1 69 69 VAL H H 69 8.235 8.235 8.336 -0.101 25442 5856 1 12 . 1 1 70 70 ASP N N 70 116.894 116.894 116.842 0.052 25442 5857 1 12 . 1 1 70 70 ASP HA H 70 3.941 3.941 4.466 -0.525 25442 5858 1 12 . 1 1 70 70 ASP CA C 70 57.576 57.576 55.470 2.106 25442 5859 1 12 . 1 1 70 70 ASP CB C 70 39.037 39.037 40.310 -1.273 25442 5860 1 12 . 1 1 70 70 ASP H H 70 8.152 8.152 8.098 0.054 25442 5861 1 12 . 1 1 71 71 ASN N N 71 110.936 110.936 116.689 -5.753 25442 5862 1 12 . 1 1 71 71 ASN HA H 71 5.009 5.009 4.511 0.498 25442 5863 1 12 . 1 1 71 71 ASN CA C 71 55.710 55.710 54.370 1.340 25442 5864 1 12 . 1 1 71 71 ASN CB C 71 42.091 42.091 39.348 2.743 25442 5865 1 12 . 1 1 71 71 ASN H H 71 7.562 7.562 7.611 -0.049 25442 5866 1 12 . 1 1 72 72 LEU N N 72 116.460 116.460 117.908 -1.448 25442 5867 1 12 . 1 1 72 72 LEU HA H 72 4.686 4.686 4.314 0.372 25442 5868 1 12 . 1 1 72 72 LEU CA C 72 54.411 54.411 54.942 -0.531 25442 5869 1 12 . 1 1 72 72 LEU CB C 72 42.477 42.477 42.300 0.177 25442 5870 1 12 . 1 1 72 72 LEU H H 72 8.406 8.406 8.118 0.288 25442 5871 1 12 . 1 1 73 73 ASN N N 73 118.618 118.618 118.345 0.273 25442 5872 1 12 . 1 1 73 73 ASN HA H 73 4.419 4.419 4.524 -0.105 25442 5873 1 12 . 1 1 73 73 ASN CA C 73 56.716 56.716 55.158 1.558 25442 5874 1 12 . 1 1 73 73 ASN CB C 73 39.452 39.452 38.678 0.774 25442 5875 1 12 . 1 1 73 73 ASN H H 73 6.956 6.956 7.546 -0.590 25442 5876 1 12 . 1 1 74 74 GLY N N 74 116.095 116.095 113.083 3.012 25442 5877 1 12 . 1 1 74 74 GLY CA C 74 45.912 45.912 45.209 0.703 25442 5878 1 12 . 1 1 74 74 GLY H H 74 9.379 9.379 8.828 0.551 25442 5879 1 12 . 1 1 75 75 PHE N N 75 123.354 123.354 122.699 0.655 25442 5880 1 12 . 1 1 75 75 PHE HA H 75 4.311 4.311 4.716 -0.405 25442 5881 1 12 . 1 1 75 75 PHE CA C 75 58.979 58.979 55.990 2.989 25442 5882 1 12 . 1 1 75 75 PHE CB C 75 41.709 41.709 41.038 0.671 25442 5883 1 12 . 1 1 75 75 PHE H H 75 8.211 8.211 7.750 0.461 25442 5884 1 12 . 1 1 76 76 LYS N N 76 127.267 127.267 127.717 -0.450 25442 5885 1 12 . 1 1 76 76 LYS HA H 76 4.598 4.598 4.160 0.438 25442 5886 1 12 . 1 1 76 76 LYS CA C 76 56.529 56.529 55.804 0.725 25442 5887 1 12 . 1 1 76 76 LYS CB C 76 33.073 33.073 33.275 -0.202 25442 5888 1 12 . 1 1 76 76 LYS H H 76 7.648 7.648 8.182 -0.534 25442 5889 1 12 . 1 1 77 77 ILE N N 77 121.576 121.576 125.561 -3.985 25442 5890 1 12 . 1 1 77 77 ILE HA H 77 4.406 4.406 4.044 0.362 25442 5891 1 12 . 1 1 77 77 ILE CA C 77 60.214 60.214 60.668 -0.454 25442 5892 1 12 . 1 1 77 77 ILE CB C 77 40.048 40.048 40.417 -0.369 25442 5893 1 12 . 1 1 77 77 ILE H H 77 8.100 8.100 8.840 -0.740 25442 5894 1 12 . 1 1 78 78 GLY CA C 78 47.118 47.118 45.357 1.761 25442 5895 1 12 . 1 1 79 79 GLY CA C 79 45.171 45.171 44.806 0.365 25442 5896 1 12 . 1 1 80 80 ARG N N 80 119.377 119.377 121.282 -1.905 25442 5897 1 12 . 1 1 80 80 ARG HA H 80 4.650 4.650 4.621 0.029 25442 5898 1 12 . 1 1 80 80 ARG CA C 80 54.849 54.849 53.964 0.885 25442 5899 1 12 . 1 1 80 80 ARG CB C 80 33.411 33.411 33.432 -0.021 25442 5900 1 12 . 1 1 80 80 ARG H H 80 7.379 7.379 7.663 -0.284 25442 5901 1 12 . 1 1 81 81 ALA N N 81 126.782 126.782 126.692 0.090 25442 5902 1 12 . 1 1 81 81 ALA HA H 81 4.137 4.137 4.777 -0.640 25442 5903 1 12 . 1 1 81 81 ALA CA C 81 51.454 51.454 50.510 0.944 25442 5904 1 12 . 1 1 81 81 ALA CB C 81 19.131 19.131 19.943 -0.812 25442 5905 1 12 . 1 1 81 81 ALA H H 81 8.734 8.734 8.355 0.379 25442 5906 1 12 . 1 1 82 82 LEU N N 82 125.769 125.769 121.122 4.647 25442 5907 1 12 . 1 1 82 82 LEU HA H 82 4.390 4.390 5.023 -0.633 25442 5908 1 12 . 1 1 82 82 LEU CA C 82 56.196 56.196 54.617 1.579 25442 5909 1 12 . 1 1 82 82 LEU CB C 82 43.362 43.362 42.578 0.784 25442 5910 1 12 . 1 1 82 82 LEU H H 82 8.736 8.736 8.336 0.400 25442 5911 1 12 . 1 1 83 83 LYS N N 83 123.851 123.851 121.986 1.865 25442 5912 1 12 . 1 1 83 83 LYS HA H 83 5.005 5.005 4.626 0.379 25442 5913 1 12 . 1 1 83 83 LYS CA C 83 54.790 54.790 55.123 -0.333 25442 5914 1 12 . 1 1 83 83 LYS CB C 83 34.212 34.212 34.145 0.067 25442 5915 1 12 . 1 1 83 83 LYS H H 83 7.838 7.838 8.584 -0.746 25442 5916 1 12 . 1 1 84 84 ILE N N 84 125.629 125.629 127.994 -2.365 25442 5917 1 12 . 1 1 84 84 ILE HA H 84 5.576 5.576 4.999 0.577 25442 5918 1 12 . 1 1 84 84 ILE CA C 84 58.513 58.513 58.834 -0.321 25442 5919 1 12 . 1 1 84 84 ILE CB C 84 40.310 40.310 37.314 2.996 25442 5920 1 12 . 1 1 84 84 ILE H H 84 8.727 8.727 8.717 0.010 25442 5921 1 12 . 1 1 85 85 ASP N N 85 124.427 124.427 127.764 -3.337 25442 5922 1 12 . 1 1 85 85 ASP HA H 85 5.094 5.094 5.213 -0.119 25442 5923 1 12 . 1 1 85 85 ASP CA C 85 52.697 52.697 52.628 0.069 25442 5924 1 12 . 1 1 85 85 ASP CB C 85 45.574 45.574 44.596 0.978 25442 5925 1 12 . 1 1 85 85 ASP H H 85 8.960 8.960 8.643 0.317 25442 5926 1 12 . 1 1 86 86 HIS N N 86 121.356 121.356 120.858 0.498 25442 5927 1 12 . 1 1 86 86 HIS HA H 86 4.635 4.635 4.771 -0.136 25442 5928 1 12 . 1 1 86 86 HIS CA C 86 58.158 58.158 57.108 1.050 25442 5929 1 12 . 1 1 86 86 HIS CB C 86 31.368 31.368 30.846 0.522 25442 5930 1 12 . 1 1 86 86 HIS H H 86 8.783 8.783 9.004 -0.221 25442 5931 1 12 . 1 1 87 87 THR N N 87 114.331 114.331 114.629 -0.298 25442 5932 1 12 . 1 1 87 87 THR HA H 87 4.691 4.691 4.868 -0.177 25442 5933 1 12 . 1 1 87 87 THR CA C 87 60.890 60.890 60.564 0.326 25442 5934 1 12 . 1 1 87 87 THR CB C 87 70.215 70.215 70.965 -0.750 25442 5935 1 12 . 1 1 87 87 THR H H 87 8.032 8.032 8.684 -0.652 25442 5936 1 12 . 1 1 88 88 PHE N N 88 118.673 118.673 120.520 -1.847 25442 5937 1 12 . 1 1 88 88 PHE HA H 88 4.305 4.305 4.913 -0.608 25442 5938 1 12 . 1 1 88 88 PHE CA C 88 58.926 58.926 57.743 1.183 25442 5939 1 12 . 1 1 88 88 PHE CB C 88 39.673 39.673 40.167 -0.494 25442 5940 1 12 . 1 1 88 88 PHE H H 88 8.233 8.233 8.590 -0.357 25442 5941 1 12 . 1 1 89 89 TYR N N 89 124.182 124.182 119.905 4.277 25442 5942 1 12 . 1 1 89 89 TYR HA H 89 4.193 4.193 4.666 -0.473 25442 5943 1 12 . 1 1 89 89 TYR CA C 89 58.510 58.510 56.101 2.409 25442 5944 1 12 . 1 1 89 89 TYR CB C 89 39.993 39.993 39.421 0.572 25442 5945 1 12 . 1 1 89 89 TYR H H 89 8.246 8.246 7.536 0.710 25442 5946 1 12 . 1 1 90 90 ARG N N 90 125.111 125.111 126.354 -1.243 25442 5947 1 12 . 1 1 90 90 ARG HA H 90 4.219 4.219 4.187 0.032 25442 5948 1 12 . 1 1 90 90 ARG CA C 90 52.511 52.511 53.591 -1.080 25442 5949 1 12 . 1 1 90 90 ARG CB C 90 31.298 31.298 29.687 1.611 25442 5950 1 12 . 1 1 90 90 ARG H H 90 7.223 7.223 8.373 -1.150 25442 5951 1 12 . 1 1 91 91 PRO HA H 91 4.028 4.028 4.287 -0.259 25442 5952 1 12 . 1 1 91 91 PRO CA C 91 62.759 62.759 63.420 -0.661 25442 5953 1 12 . 1 1 91 91 PRO CB C 91 32.074 32.074 32.109 -0.035 25442 5954 1 12 . 1 1 94 94 SER HA H 94 4.466 4.466 4.362 0.104 25442 5955 1 12 . 1 1 94 94 SER CA C 94 58.273 58.273 58.726 -0.453 25442 5956 1 12 . 1 1 94 94 SER CB C 94 63.656 63.656 63.698 -0.042 25442 5957 1 12 . 1 1 95 95 LEU HA H 95 4.369 4.369 4.197 0.172 25442 5958 1 12 . 1 1 95 95 LEU CA C 95 55.482 55.482 56.795 -1.313 25442 5959 1 12 . 1 1 95 95 LEU CB C 95 42.350 42.350 41.068 1.282 25442 5960 1 12 . 1 1 97 97 LYS HA H 97 4.197 4.197 4.597 -0.400 25442 5961 1 12 . 1 1 97 97 LYS CA C 97 56.923 56.923 55.292 1.631 25442 5962 1 12 . 1 1 97 97 LYS CB C 97 32.936 32.936 31.482 1.454 25442 5963 1 12 . 1 1 98 98 TYR N N 98 120.486 120.486 121.916 -1.430 25442 5964 1 12 . 1 1 98 98 TYR HA H 98 4.477 4.477 4.150 0.327 25442 5965 1 12 . 1 1 98 98 TYR CA C 98 58.249 58.249 60.961 -2.712 25442 5966 1 12 . 1 1 98 98 TYR CB C 98 38.659 38.659 38.401 0.258 25442 5967 1 12 . 1 1 98 98 TYR H H 98 7.979 7.979 8.310 -0.331 25442 5968 1 12 . 1 1 99 99 TYR N N 99 120.784 120.784 118.640 2.144 25442 5969 1 12 . 1 1 99 99 TYR HA H 99 4.455 4.455 4.329 0.126 25442 5970 1 12 . 1 1 99 99 TYR CA C 99 58.281 58.281 60.663 -2.382 25442 5971 1 12 . 1 1 99 99 TYR CB C 99 38.902 38.902 38.979 -0.077 25442 5972 1 12 . 1 1 99 99 TYR H H 99 7.918 7.918 8.423 -0.505 25442 5973 1 12 . 1 1 100 100 GLU N N 100 122.033 122.033 119.480 2.553 25442 5974 1 12 . 1 1 100 100 GLU HA H 100 4.171 4.171 4.030 0.141 25442 5975 1 12 . 1 1 100 100 GLU CA C 100 56.766 56.766 57.469 -0.703 25442 5976 1 12 . 1 1 100 100 GLU H H 100 8.055 8.055 8.261 -0.206 25442 5977 1 12 . 1 1 101 101 ALA N N 101 124.629 124.629 121.475 3.154 25442 5978 1 12 . 1 1 101 101 ALA HA H 101 4.283 4.283 4.121 0.162 25442 5979 1 12 . 1 1 101 101 ALA CA C 101 52.795 52.795 51.893 0.902 25442 5980 1 12 . 1 1 101 101 ALA CB C 101 19.150 19.150 17.945 1.205 25442 5981 1 12 . 1 1 101 101 ALA H H 101 8.040 8.040 7.452 0.588 25442 5982 1 12 . 1 1 102 102 VAL N N 102 119.031 119.031 116.435 2.596 25442 5983 1 12 . 1 1 102 102 VAL HA H 102 4.039 4.039 4.287 -0.248 25442 5984 1 12 . 1 1 102 102 VAL CA C 102 62.675 62.675 62.526 0.149 25442 5985 1 12 . 1 1 102 102 VAL CB C 102 32.610 32.610 33.291 -0.680 25442 5986 1 12 . 1 1 102 102 VAL H H 102 7.960 7.960 7.649 0.311 25442 5987 1 12 . 1 1 103 103 LYS N N 103 124.562 124.562 120.367 4.195 25442 5988 1 12 . 1 1 103 103 LYS HA H 103 4.258 4.258 4.313 -0.055 25442 5989 1 12 . 1 1 103 103 LYS CA C 103 56.797 56.797 55.625 1.172 25442 5990 1 12 . 1 1 103 103 LYS CB C 103 33.012 33.012 32.465 0.547 25442 5991 1 12 . 1 1 103 103 LYS H H 103 8.207 8.207 7.582 0.625 25442 5992 1 12 . 1 1 104 104 GLU N N 104 121.722 121.722 116.166 5.556 25442 5993 1 12 . 1 1 104 104 GLU HA H 104 4.263 4.263 4.214 0.049 25442 5994 1 12 . 1 1 104 104 GLU CA C 104 57.034 57.034 57.114 -0.079 25442 5995 1 12 . 1 1 104 104 GLU CB C 104 30.351 30.351 27.860 2.491 25442 5996 1 12 . 1 1 104 104 GLU H H 104 8.325 8.325 8.051 0.274 25442 5997 1 12 . 1 1 105 105 GLU N N 105 121.479 121.479 118.993 2.486 25442 5998 1 12 . 1 1 105 105 GLU HA H 105 4.264 4.264 4.194 0.070 25442 5999 1 12 . 1 1 105 105 GLU CA C 105 56.802 56.802 57.537 -0.735 25442 6000 1 12 . 1 1 105 105 GLU CB C 105 30.351 30.351 29.878 0.473 25442 6001 1 12 . 1 1 105 105 GLU H H 105 8.288 8.288 8.179 0.109 25442 6002 1 12 . 1 1 106 106 LEU N N 106 122.549 122.549 119.765 2.784 25442 6003 1 12 . 1 1 106 106 LEU HA H 106 4.316 4.316 4.288 0.028 25442 6004 1 12 . 1 1 106 106 LEU CA C 106 55.545 55.545 54.933 0.612 25442 6005 1 12 . 1 1 106 106 LEU CB C 106 42.538 42.538 41.634 0.904 25442 6006 1 12 . 1 1 106 106 LEU H H 106 8.154 8.154 7.827 0.328 25442 6007 1 12 . 1 1 107 107 ASP N N 107 120.656 120.656 118.354 2.302 25442 6008 1 12 . 1 1 107 107 ASP HA H 107 4.587 4.587 4.520 0.067 25442 6009 1 12 . 1 1 107 107 ASP CA C 107 54.715 54.715 54.982 -0.267 25442 6010 1 12 . 1 1 107 107 ASP CB C 107 41.125 41.125 41.302 -0.177 25442 6011 1 12 . 1 1 107 107 ASP H H 107 8.273 8.273 8.029 0.244 25442 6012 1 12 . 1 1 108 108 ARG N N 108 120.710 120.710 122.049 -1.339 25442 6013 1 12 . 1 1 108 108 ARG HA H 108 4.272 4.272 4.369 -0.097 25442 6014 1 12 . 1 1 108 108 ARG CA C 108 56.778 56.778 56.168 0.610 25442 6015 1 12 . 1 1 108 108 ARG CB C 108 30.835 30.835 30.466 0.369 25442 6016 1 12 . 1 1 108 108 ARG H H 108 8.041 8.041 8.647 -0.606 25442 6017 1 12 . 1 1 109 109 ASP N N 109 120.647 120.647 120.539 0.108 25442 6018 1 12 . 1 1 109 109 ASP CA C 109 54.862 54.862 56.549 -1.687 25442 6019 1 12 . 1 1 109 109 ASP H H 109 8.331 8.331 8.436 -0.105 25442 6020 1 12 . 1 1 110 110 ILE N N 110 120.220 120.220 111.567 8.653 25442 6021 1 12 . 1 1 110 110 ILE HA H 110 4.140 4.140 4.072 0.068 25442 6022 1 12 . 1 1 110 110 ILE CA C 110 61.760 61.760 61.506 0.254 25442 6023 1 12 . 1 1 110 110 ILE CB C 110 38.643 38.643 37.519 1.124 25442 6024 1 12 . 1 1 110 110 ILE H H 110 7.910 7.910 7.706 0.204 25442 6025 1 12 . 1 1 111 111 VAL N N 111 122.698 122.698 122.761 -0.063 25442 6026 1 12 . 1 1 111 111 VAL HA H 111 4.095 4.095 3.849 0.246 25442 6027 1 12 . 1 1 111 111 VAL CA C 111 62.982 62.982 64.084 -1.102 25442 6028 1 12 . 1 1 111 111 VAL CB C 111 32.438 32.438 31.790 0.648 25442 6029 1 12 . 1 1 111 111 VAL H H 111 8.018 8.018 7.549 0.469 25442 6030 1 12 . 1 1 112 112 SER HA H 112 4.439 4.439 4.591 -0.152 25442 6031 1 12 . 1 1 112 112 SER CA C 112 58.581 58.581 57.868 0.713 25442 6032 1 12 . 1 1 112 112 SER CB C 112 63.717 63.717 64.111 -0.394 25442 6033 1 12 . 1 1 114 114 ASN HA H 114 4.690 4.690 4.730 -0.040 25442 6034 1 12 . 1 1 114 114 ASN CA C 114 53.462 53.462 52.758 0.704 25442 6035 1 12 . 1 1 114 114 ASN CB C 114 39.073 39.073 39.002 0.071 25442 6036 1 12 . 1 1 115 115 ASN HA H 115 4.690 4.690 4.385 0.305 25442 6037 1 12 . 1 1 115 115 ASN CA C 115 53.476 53.476 55.689 -2.213 25442 6038 1 12 . 1 1 115 115 ASN CB C 115 39.073 39.073 38.541 0.532 25442 6039 1 12 . 1 1 116 116 ALA N N 116 123.691 123.691 121.396 2.295 25442 6040 1 12 . 1 1 116 116 ALA HA H 116 4.355 4.355 4.150 0.205 25442 6041 1 12 . 1 1 116 116 ALA CA C 116 52.748 52.748 53.479 -0.731 25442 6042 1 12 . 1 1 116 116 ALA CB C 116 19.559 19.559 19.125 0.434 25442 6043 1 12 . 1 1 116 116 ALA H H 116 8.144 8.144 8.664 -0.520 25442 6044 1 12 . 1 1 117 117 GLU N N 117 120.174 120.174 118.926 1.248 25442 6045 1 12 . 1 1 117 117 GLU HA H 117 4.284 4.284 4.197 0.087 25442 6046 1 12 . 1 1 117 117 GLU CA C 117 56.731 56.731 56.240 0.491 25442 6047 1 12 . 1 1 117 117 GLU CB C 117 29.944 29.944 30.321 -0.377 25442 6048 1 12 . 1 1 117 117 GLU H H 117 8.234 8.234 7.554 0.680 25442 6049 1 13 . 1 1 2 2 ALA HA H 2 4.335 4.335 4.452 -0.117 25442 6050 1 13 . 1 1 2 2 ALA CA C 2 53.634 53.634 51.809 1.825 25442 6051 1 13 . 1 1 2 2 ALA CB C 2 19.441 19.441 19.706 -0.265 25442 6052 1 13 . 1 1 3 3 MET N N 3 120.791 120.791 120.900 -0.109 25442 6053 1 13 . 1 1 3 3 MET HA H 3 4.499 4.499 4.220 0.279 25442 6054 1 13 . 1 1 3 3 MET CA C 3 55.772 55.772 56.227 -0.455 25442 6055 1 13 . 1 1 3 3 MET CB C 3 32.968 32.968 32.388 0.580 25442 6056 1 13 . 1 1 3 3 MET H H 3 8.636 8.636 8.411 0.225 25442 6057 1 13 . 1 1 4 4 GLY N N 4 109.879 109.879 106.388 3.491 25442 6058 1 13 . 1 1 4 4 GLY CA C 4 45.531 45.531 45.515 0.016 25442 6059 1 13 . 1 1 4 4 GLY H H 4 8.391 8.391 8.353 0.038 25442 6060 1 13 . 1 1 5 5 ASN N N 5 124.309 124.309 119.196 5.113 25442 6061 1 13 . 1 1 5 5 ASN HA H 5 4.661 4.661 4.731 -0.070 25442 6062 1 13 . 1 1 5 5 ASN CA C 5 53.419 53.419 52.935 0.484 25442 6063 1 13 . 1 1 5 5 ASN CB C 5 39.059 39.059 38.062 0.997 25442 6064 1 13 . 1 1 5 5 ASN H H 5 7.954 7.954 8.223 -0.269 25442 6065 1 13 . 1 1 7 7 TYR N N 7 120.088 120.088 117.584 2.504 25442 6066 1 13 . 1 1 7 7 TYR HA H 7 4.463 4.463 4.695 -0.232 25442 6067 1 13 . 1 1 7 7 TYR CA C 7 58.098 58.098 56.130 1.968 25442 6068 1 13 . 1 1 7 7 TYR CB C 7 38.252 38.252 41.053 -2.801 25442 6069 1 13 . 1 1 7 7 TYR H H 7 8.013 8.013 7.622 0.391 25442 6070 1 13 . 1 1 8 8 LYS N N 8 121.766 121.766 120.888 0.878 25442 6071 1 13 . 1 1 8 8 LYS HA H 8 4.174 4.174 4.197 -0.023 25442 6072 1 13 . 1 1 8 8 LYS CA C 8 56.835 56.835 57.023 -0.188 25442 6073 1 13 . 1 1 8 8 LYS CB C 8 32.997 32.997 32.998 -0.001 25442 6074 1 13 . 1 1 8 8 LYS H H 8 7.845 7.845 8.298 -0.453 25442 6075 1 13 . 1 1 9 9 ASP N N 9 119.739 119.739 117.733 2.006 25442 6076 1 13 . 1 1 9 9 ASP HA H 9 4.477 4.477 4.701 -0.224 25442 6077 1 13 . 1 1 9 9 ASP CA C 9 54.660 54.660 53.568 1.092 25442 6078 1 13 . 1 1 9 9 ASP CB C 9 41.100 41.100 41.520 -0.420 25442 6079 1 13 . 1 1 9 9 ASP H H 9 8.043 8.043 8.524 -0.481 25442 6080 1 13 . 1 1 10 10 ASN N N 10 119.260 119.260 118.499 0.761 25442 6081 1 13 . 1 1 10 10 ASN HA H 10 4.875 4.875 4.352 0.523 25442 6082 1 13 . 1 1 10 10 ASN CA C 10 53.255 53.255 53.593 -0.338 25442 6083 1 13 . 1 1 10 10 ASN CB C 10 39.105 39.105 38.600 0.505 25442 6084 1 13 . 1 1 10 10 ASN H H 10 8.174 8.174 8.122 0.052 25442 6085 1 13 . 1 1 11 11 ALA N N 11 122.869 122.869 124.646 -1.777 25442 6086 1 13 . 1 1 11 11 ALA HA H 11 4.544 4.544 4.496 0.048 25442 6087 1 13 . 1 1 11 11 ALA CA C 11 52.866 52.866 52.178 0.688 25442 6088 1 13 . 1 1 11 11 ALA H H 11 8.299 8.299 8.254 0.045 25442 6089 1 13 . 1 1 12 12 TYR N N 12 117.351 117.351 117.981 -0.630 25442 6090 1 13 . 1 1 12 12 TYR HA H 12 5.220 5.220 5.362 -0.142 25442 6091 1 13 . 1 1 12 12 TYR CA C 12 57.621 57.621 56.412 1.209 25442 6092 1 13 . 1 1 12 12 TYR CB C 12 41.631 41.631 42.778 -1.147 25442 6093 1 13 . 1 1 12 12 TYR H H 12 8.340 8.340 8.318 0.022 25442 6094 1 13 . 1 1 13 13 ILE N N 13 112.184 112.184 121.402 -9.218 25442 6095 1 13 . 1 1 13 13 ILE HA H 13 5.052 5.052 4.370 0.682 25442 6096 1 13 . 1 1 13 13 ILE CA C 13 59.995 59.995 60.828 -0.833 25442 6097 1 13 . 1 1 13 13 ILE CB C 13 40.418 40.418 38.414 2.004 25442 6098 1 13 . 1 1 13 13 ILE H H 13 9.216 9.216 8.549 0.667 25442 6099 1 13 . 1 1 14 14 TYR N N 14 123.504 123.504 130.465 -6.961 25442 6100 1 13 . 1 1 14 14 TYR HA H 14 4.690 4.690 4.494 0.196 25442 6101 1 13 . 1 1 14 14 TYR CA C 14 56.688 56.688 58.060 -1.372 25442 6102 1 13 . 1 1 14 14 TYR CB C 14 40.564 40.564 39.223 1.341 25442 6103 1 13 . 1 1 14 14 TYR H H 14 9.086 9.086 9.329 -0.243 25442 6104 1 13 . 1 1 15 15 ILE N N 15 127.611 127.611 128.606 -0.995 25442 6105 1 13 . 1 1 15 15 ILE HA H 15 4.288 4.288 4.864 -0.576 25442 6106 1 13 . 1 1 15 15 ILE CA C 15 59.654 59.654 59.773 -0.119 25442 6107 1 13 . 1 1 15 15 ILE CB C 15 40.260 40.260 39.641 0.619 25442 6108 1 13 . 1 1 15 15 ILE H H 15 8.448 8.448 7.586 0.862 25442 6109 1 13 . 1 1 16 16 GLY N N 16 112.660 112.660 111.723 0.937 25442 6110 1 13 . 1 1 16 16 GLY CA C 16 43.240 43.240 43.592 -0.352 25442 6111 1 13 . 1 1 16 16 GLY H H 16 9.438 9.438 8.135 1.303 25442 6112 1 13 . 1 1 17 17 ASN N N 17 114.980 114.980 115.977 -0.997 25442 6113 1 13 . 1 1 17 17 ASN HA H 17 4.439 4.439 4.314 0.125 25442 6114 1 13 . 1 1 17 17 ASN CA C 17 53.251 53.251 54.326 -1.075 25442 6115 1 13 . 1 1 17 17 ASN CB C 17 38.259 38.259 37.831 0.428 25442 6116 1 13 . 1 1 17 17 ASN H H 17 8.497 8.497 8.634 -0.137 25442 6117 1 13 . 1 1 18 18 LEU N N 18 115.182 115.182 115.337 -0.155 25442 6118 1 13 . 1 1 18 18 LEU HA H 18 4.068 4.068 4.711 -0.643 25442 6119 1 13 . 1 1 18 18 LEU CA C 18 54.073 54.073 53.534 0.539 25442 6120 1 13 . 1 1 18 18 LEU CB C 18 42.912 42.912 43.604 -0.692 25442 6121 1 13 . 1 1 18 18 LEU H H 18 7.859 7.859 7.365 0.494 25442 6122 1 13 . 1 1 19 19 ASN N N 19 122.392 122.392 118.485 3.907 25442 6123 1 13 . 1 1 19 19 ASN HA H 19 4.464 4.464 4.673 -0.209 25442 6124 1 13 . 1 1 19 19 ASN CA C 19 54.087 54.087 52.473 1.614 25442 6125 1 13 . 1 1 19 19 ASN CB C 19 38.703 38.703 39.493 -0.790 25442 6126 1 13 . 1 1 19 19 ASN H H 19 8.727 8.727 8.577 0.150 25442 6127 1 13 . 1 1 20 20 ARG N N 20 126.283 126.283 125.502 0.781 25442 6128 1 13 . 1 1 20 20 ARG HA H 20 3.937 3.937 3.947 -0.010 25442 6129 1 13 . 1 1 20 20 ARG CA C 20 58.719 58.719 58.643 0.076 25442 6130 1 13 . 1 1 20 20 ARG CB C 20 29.719 29.719 29.930 -0.211 25442 6131 1 13 . 1 1 20 20 ARG H H 20 8.940 8.940 8.580 0.360 25442 6132 1 13 . 1 1 21 21 GLU N N 21 117.166 117.166 118.846 -1.680 25442 6133 1 13 . 1 1 21 21 GLU HA H 21 4.321 4.321 4.160 0.161 25442 6134 1 13 . 1 1 21 21 GLU CA C 21 56.778 56.778 57.477 -0.699 25442 6135 1 13 . 1 1 21 21 GLU H H 21 8.867 8.867 8.052 0.815 25442 6136 1 13 . 1 1 22 22 LEU N N 22 119.643 119.643 120.645 -1.002 25442 6137 1 13 . 1 1 22 22 LEU HA H 22 4.540 4.540 4.187 0.353 25442 6138 1 13 . 1 1 22 22 LEU CA C 22 55.505 55.505 55.791 -0.286 25442 6139 1 13 . 1 1 22 22 LEU CB C 22 42.251 42.251 41.891 0.360 25442 6140 1 13 . 1 1 22 22 LEU H H 22 7.324 7.324 7.489 -0.165 25442 6141 1 13 . 1 1 23 23 THR N N 23 114.564 114.564 115.245 -0.681 25442 6142 1 13 . 1 1 23 23 THR HA H 23 4.483 4.483 4.437 0.046 25442 6143 1 13 . 1 1 23 23 THR CA C 23 60.155 60.155 60.183 -0.028 25442 6144 1 13 . 1 1 23 23 THR CB C 23 73.000 73.000 70.606 2.394 25442 6145 1 13 . 1 1 23 23 THR H H 23 9.483 9.483 7.746 1.737 25442 6146 1 13 . 1 1 24 24 GLU N N 24 120.458 120.458 120.958 -0.500 25442 6147 1 13 . 1 1 24 24 GLU HA H 24 3.604 3.604 3.964 -0.360 25442 6148 1 13 . 1 1 24 24 GLU CA C 24 62.158 62.158 59.935 2.223 25442 6149 1 13 . 1 1 24 24 GLU H H 24 10.410 10.410 8.813 1.597 25442 6150 1 13 . 1 1 25 25 GLY N N 25 105.261 105.261 107.789 -2.528 25442 6151 1 13 . 1 1 25 25 GLY CA C 25 47.219 47.219 46.812 0.407 25442 6152 1 13 . 1 1 25 25 GLY H H 25 8.402 8.402 8.453 -0.051 25442 6153 1 13 . 1 1 26 26 ASP N N 26 122.820 122.820 122.971 -0.151 25442 6154 1 13 . 1 1 26 26 ASP HA H 26 4.515 4.515 4.456 0.059 25442 6155 1 13 . 1 1 26 26 ASP CA C 26 58.005 58.005 56.907 1.098 25442 6156 1 13 . 1 1 26 26 ASP CB C 26 41.261 41.261 40.629 0.632 25442 6157 1 13 . 1 1 26 26 ASP H H 26 7.539 7.539 7.608 -0.069 25442 6158 1 13 . 1 1 27 27 ILE N N 27 118.686 118.686 120.435 -1.749 25442 6159 1 13 . 1 1 27 27 ILE HA H 27 3.609 3.609 3.792 -0.183 25442 6160 1 13 . 1 1 27 27 ILE CA C 27 65.348 65.348 65.100 0.248 25442 6161 1 13 . 1 1 27 27 ILE CB C 27 37.789 37.789 38.062 -0.273 25442 6162 1 13 . 1 1 27 27 ILE H H 27 7.832 7.832 7.738 0.094 25442 6163 1 13 . 1 1 28 28 LEU N N 28 119.737 119.737 120.797 -1.060 25442 6164 1 13 . 1 1 28 28 LEU HA H 28 3.790 3.790 3.873 -0.083 25442 6165 1 13 . 1 1 28 28 LEU CA C 28 59.040 59.040 58.659 0.381 25442 6166 1 13 . 1 1 28 28 LEU CB C 28 42.520 42.520 41.550 0.970 25442 6167 1 13 . 1 1 28 28 LEU H H 28 8.731 8.731 8.339 0.392 25442 6168 1 13 . 1 1 29 29 THR N N 29 119.509 119.509 114.935 4.574 25442 6169 1 13 . 1 1 29 29 THR HA H 29 4.045 4.045 3.988 0.057 25442 6170 1 13 . 1 1 29 29 THR CA C 29 67.196 67.196 66.598 0.598 25442 6171 1 13 . 1 1 29 29 THR CB C 29 69.194 69.194 68.468 0.726 25442 6172 1 13 . 1 1 29 29 THR H H 29 8.251 8.251 8.049 0.202 25442 6173 1 13 . 1 1 30 30 VAL N N 30 117.974 117.974 120.744 -2.770 25442 6174 1 13 . 1 1 30 30 VAL HA H 30 3.869 3.869 3.732 0.137 25442 6175 1 13 . 1 1 30 30 VAL CA C 30 65.727 65.727 66.088 -0.361 25442 6176 1 13 . 1 1 30 30 VAL CB C 30 32.912 32.912 31.452 1.460 25442 6177 1 13 . 1 1 30 30 VAL H H 30 7.627 7.627 7.713 -0.086 25442 6178 1 13 . 1 1 31 31 PHE N N 31 113.937 113.937 116.575 -2.638 25442 6179 1 13 . 1 1 31 31 PHE HA H 31 3.908 3.908 4.436 -0.527 25442 6180 1 13 . 1 1 31 31 PHE CA C 31 62.044 62.044 59.742 2.302 25442 6181 1 13 . 1 1 31 31 PHE CB C 31 37.217 37.217 38.796 -1.579 25442 6182 1 13 . 1 1 31 31 PHE H H 31 8.903 8.903 8.741 0.162 25442 6183 1 13 . 1 1 32 32 SER N N 32 118.854 118.854 114.860 3.994 25442 6184 1 13 . 1 1 32 32 SER HA H 32 5.405 5.405 4.046 1.359 25442 6185 1 13 . 1 1 32 32 SER CA C 32 61.282 61.282 61.180 0.102 25442 6186 1 13 . 1 1 32 32 SER CB C 32 64.055 64.055 63.406 0.650 25442 6187 1 13 . 1 1 32 32 SER H H 32 8.024 8.024 8.018 0.006 25442 6188 1 13 . 1 1 33 33 GLU N N 33 121.203 121.203 120.280 0.923 25442 6189 1 13 . 1 1 33 33 GLU HA H 33 2.246 2.246 3.980 -1.734 25442 6190 1 13 . 1 1 33 33 GLU CA C 33 59.596 59.596 58.067 1.529 25442 6191 1 13 . 1 1 33 33 GLU H H 33 6.935 6.935 8.177 -1.242 25442 6192 1 13 . 1 1 34 34 TYR N N 34 108.039 108.039 119.728 -11.689 25442 6193 1 13 . 1 1 34 34 TYR HA H 34 4.953 4.953 4.512 0.441 25442 6194 1 13 . 1 1 34 34 TYR CA C 34 57.226 57.226 57.745 -0.519 25442 6195 1 13 . 1 1 34 34 TYR CB C 34 38.821 38.821 37.153 1.668 25442 6196 1 13 . 1 1 34 34 TYR H H 34 6.254 6.254 7.394 -1.140 25442 6197 1 13 . 1 1 35 35 GLY N N 35 103.601 103.601 107.404 -3.803 25442 6198 1 13 . 1 1 35 35 GLY CA C 35 44.594 44.594 44.198 0.396 25442 6199 1 13 . 1 1 35 35 GLY H H 35 7.247 7.247 7.266 -0.019 25442 6200 1 13 . 1 1 36 36 VAL N N 36 120.482 120.482 122.614 -2.132 25442 6201 1 13 . 1 1 36 36 VAL HA H 36 4.537 4.537 4.147 0.390 25442 6202 1 13 . 1 1 36 36 VAL CA C 36 59.942 59.942 60.735 -0.793 25442 6203 1 13 . 1 1 36 36 VAL CB C 36 33.989 33.989 33.517 0.472 25442 6204 1 13 . 1 1 36 36 VAL H H 36 8.549 8.549 7.409 1.140 25442 6205 1 13 . 1 1 37 37 PRO HA H 37 4.543 4.543 4.717 -0.174 25442 6206 1 13 . 1 1 37 37 PRO CA C 37 62.043 62.043 62.218 -0.175 25442 6207 1 13 . 1 1 37 37 PRO CB C 37 31.531 31.531 32.559 -1.028 25442 6208 1 13 . 1 1 38 38 VAL N N 38 118.566 118.566 114.660 3.906 25442 6209 1 13 . 1 1 38 38 VAL HA H 38 4.439 4.439 4.327 0.112 25442 6210 1 13 . 1 1 38 38 VAL CA C 38 61.064 61.064 62.580 -1.516 25442 6211 1 13 . 1 1 38 38 VAL CB C 38 32.842 32.842 32.655 0.187 25442 6212 1 13 . 1 1 38 38 VAL H H 38 9.099 9.099 8.338 0.761 25442 6213 1 13 . 1 1 39 39 ASP N N 39 118.912 118.912 119.447 -0.535 25442 6214 1 13 . 1 1 39 39 ASP HA H 39 4.920 4.920 4.785 0.135 25442 6215 1 13 . 1 1 39 39 ASP CA C 39 54.860 54.860 54.248 0.612 25442 6216 1 13 . 1 1 39 39 ASP CB C 39 44.441 44.441 44.886 -0.445 25442 6217 1 13 . 1 1 39 39 ASP H H 39 7.300 7.300 7.634 -0.334 25442 6218 1 13 . 1 1 40 40 VAL N N 40 123.365 123.365 123.077 0.288 25442 6219 1 13 . 1 1 40 40 VAL HA H 40 4.759 4.759 4.687 0.072 25442 6220 1 13 . 1 1 40 40 VAL CA C 40 61.259 61.259 60.923 0.335 25442 6221 1 13 . 1 1 40 40 VAL CB C 40 34.464 34.464 34.270 0.194 25442 6222 1 13 . 1 1 40 40 VAL H H 40 8.052 8.052 8.425 -0.373 25442 6223 1 13 . 1 1 41 41 ILE N N 41 127.951 127.951 128.280 -0.329 25442 6224 1 13 . 1 1 41 41 ILE HA H 41 4.361 4.361 4.409 -0.048 25442 6225 1 13 . 1 1 41 41 ILE CA C 41 60.204 60.204 60.508 -0.304 25442 6226 1 13 . 1 1 41 41 ILE CB C 41 41.220 41.220 39.717 1.503 25442 6227 1 13 . 1 1 41 41 ILE H H 41 9.031 9.031 8.536 0.495 25442 6228 1 13 . 1 1 42 42 LEU N N 42 130.034 130.034 128.334 1.700 25442 6229 1 13 . 1 1 42 42 LEU HA H 42 4.415 4.415 4.655 -0.240 25442 6230 1 13 . 1 1 42 42 LEU CA C 42 53.832 53.832 53.897 -0.065 25442 6231 1 13 . 1 1 42 42 LEU CB C 42 44.353 44.353 44.210 0.143 25442 6232 1 13 . 1 1 42 42 LEU H H 42 8.935 8.935 8.644 0.291 25442 6233 1 13 . 1 1 43 43 SER N N 43 121.977 121.977 119.039 2.938 25442 6234 1 13 . 1 1 43 43 SER HA H 43 4.092 4.092 4.487 -0.395 25442 6235 1 13 . 1 1 43 43 SER CA C 43 59.298 59.298 59.437 -0.139 25442 6236 1 13 . 1 1 43 43 SER CB C 43 62.879 62.879 63.858 -0.979 25442 6237 1 13 . 1 1 43 43 SER H H 43 8.088 8.088 8.310 -0.222 25442 6238 1 13 . 1 1 44 44 ARG N N 44 125.852 125.852 122.275 3.577 25442 6239 1 13 . 1 1 44 44 ARG HA H 44 4.906 4.906 4.586 0.320 25442 6240 1 13 . 1 1 44 44 ARG CA C 44 54.363 54.363 54.978 -0.615 25442 6241 1 13 . 1 1 44 44 ARG CB C 44 34.095 34.095 32.148 1.947 25442 6242 1 13 . 1 1 44 44 ARG H H 44 8.081 8.081 8.478 -0.397 25442 6243 1 13 . 1 1 45 45 ASP N N 45 123.150 123.150 120.018 3.132 25442 6244 1 13 . 1 1 45 45 ASP HA H 45 4.425 4.425 4.786 -0.361 25442 6245 1 13 . 1 1 45 45 ASP CA C 45 54.728 54.728 54.662 0.066 25442 6246 1 13 . 1 1 45 45 ASP CB C 45 43.318 43.318 41.093 2.225 25442 6247 1 13 . 1 1 45 45 ASP H H 45 8.594 8.594 8.504 0.090 25442 6248 1 13 . 1 1 46 46 GLU N N 46 127.786 127.786 120.727 7.059 25442 6249 1 13 . 1 1 46 46 GLU HA H 46 4.048 4.048 4.046 0.002 25442 6250 1 13 . 1 1 46 46 GLU CA C 46 59.018 59.018 58.797 0.221 25442 6251 1 13 . 1 1 46 46 GLU CB C 46 29.870 29.870 29.403 0.467 25442 6252 1 13 . 1 1 46 46 GLU H H 46 9.250 9.250 8.598 0.652 25442 6253 1 13 . 1 1 47 47 ASN N N 47 116.105 116.105 117.671 -1.566 25442 6254 1 13 . 1 1 47 47 ASN HA H 47 4.825 4.825 4.515 0.310 25442 6255 1 13 . 1 1 47 47 ASN CA C 47 55.321 55.321 55.213 0.108 25442 6256 1 13 . 1 1 47 47 ASN CB C 47 39.927 39.927 38.006 1.921 25442 6257 1 13 . 1 1 47 47 ASN H H 47 8.857 8.857 8.048 0.809 25442 6258 1 13 . 1 1 48 48 THR N N 48 108.395 108.395 108.377 0.018 25442 6259 1 13 . 1 1 48 48 THR HA H 48 4.461 4.461 4.436 0.025 25442 6260 1 13 . 1 1 48 48 THR CA C 48 61.883 61.883 62.532 -0.649 25442 6261 1 13 . 1 1 48 48 THR CB C 48 71.194 71.194 70.141 1.053 25442 6262 1 13 . 1 1 48 48 THR H H 48 8.539 8.539 7.928 0.611 25442 6263 1 13 . 1 1 49 49 GLY N N 49 110.910 110.910 109.587 1.323 25442 6264 1 13 . 1 1 49 49 GLY CA C 49 45.706 45.706 44.721 0.985 25442 6265 1 13 . 1 1 49 49 GLY H H 49 8.293 8.293 7.429 0.864 25442 6266 1 13 . 1 1 50 50 GLU N N 50 120.328 120.328 121.068 -0.740 25442 6267 1 13 . 1 1 50 50 GLU HA H 50 4.162 4.162 4.749 -0.587 25442 6268 1 13 . 1 1 50 50 GLU CA C 50 56.540 56.540 54.215 2.325 25442 6269 1 13 . 1 1 50 50 GLU CB C 50 30.948 30.948 31.602 -0.654 25442 6270 1 13 . 1 1 50 50 GLU H H 50 7.854 7.854 7.624 0.230 25442 6271 1 13 . 1 1 51 51 SER N N 51 117.235 117.235 119.337 -2.102 25442 6272 1 13 . 1 1 51 51 SER HA H 51 4.391 4.391 4.377 0.014 25442 6273 1 13 . 1 1 51 51 SER CA C 51 58.361 58.361 58.633 -0.272 25442 6274 1 13 . 1 1 51 51 SER CB C 51 64.438 64.438 64.096 0.342 25442 6275 1 13 . 1 1 51 51 SER H H 51 8.950 8.950 8.496 0.454 25442 6276 1 13 . 1 1 52 52 GLN N N 52 122.996 122.996 120.426 2.570 25442 6277 1 13 . 1 1 52 52 GLN HA H 52 4.516 4.516 4.482 0.034 25442 6278 1 13 . 1 1 52 52 GLN CA C 52 55.406 55.406 55.559 -0.153 25442 6279 1 13 . 1 1 52 52 GLN CB C 52 29.624 29.624 29.913 -0.289 25442 6280 1 13 . 1 1 52 52 GLN H H 52 8.929 8.929 8.399 0.530 25442 6281 1 13 . 1 1 53 53 GLY N N 53 106.139 106.139 107.663 -1.524 25442 6282 1 13 . 1 1 53 53 GLY CA C 53 46.434 46.434 44.256 2.178 25442 6283 1 13 . 1 1 53 53 GLY H H 53 8.876 8.876 8.645 0.231 25442 6284 1 13 . 1 1 54 54 PHE N N 54 112.294 112.294 116.827 -4.533 25442 6285 1 13 . 1 1 54 54 PHE HA H 54 5.436 5.436 5.268 0.168 25442 6286 1 13 . 1 1 54 54 PHE CA C 54 55.464 55.464 55.312 0.152 25442 6287 1 13 . 1 1 54 54 PHE CB C 54 41.207 41.207 42.565 -1.358 25442 6288 1 13 . 1 1 54 54 PHE H H 54 6.938 6.938 7.270 -0.332 25442 6289 1 13 . 1 1 55 55 ALA N N 55 121.935 121.935 120.500 1.435 25442 6290 1 13 . 1 1 55 55 ALA HA H 55 5.051 5.051 4.995 0.056 25442 6291 1 13 . 1 1 55 55 ALA CA C 55 49.517 49.517 51.165 -1.648 25442 6292 1 13 . 1 1 55 55 ALA CB C 55 24.966 24.966 22.566 2.400 25442 6293 1 13 . 1 1 55 55 ALA H H 55 9.098 9.098 8.086 1.012 25442 6294 1 13 . 1 1 56 56 TYR N N 56 114.799 114.799 116.656 -1.857 25442 6295 1 13 . 1 1 56 56 TYR HA H 56 5.652 5.652 5.296 0.356 25442 6296 1 13 . 1 1 56 56 TYR CA C 56 56.128 56.128 56.752 -0.624 25442 6297 1 13 . 1 1 56 56 TYR CB C 56 42.405 42.405 42.494 -0.089 25442 6298 1 13 . 1 1 56 56 TYR H H 56 8.572 8.572 8.897 -0.325 25442 6299 1 13 . 1 1 57 57 LEU N N 57 123.129 123.129 122.134 0.995 25442 6300 1 13 . 1 1 57 57 LEU HA H 57 5.100 5.100 4.724 0.376 25442 6301 1 13 . 1 1 57 57 LEU CA C 57 54.552 54.552 54.171 0.381 25442 6302 1 13 . 1 1 57 57 LEU H H 57 8.600 8.600 8.542 0.058 25442 6303 1 13 . 1 1 58 58 LYS N N 58 126.556 126.556 125.418 1.138 25442 6304 1 13 . 1 1 58 58 LYS HA H 58 4.553 4.553 4.534 0.019 25442 6305 1 13 . 1 1 58 58 LYS CA C 58 54.518 54.518 54.981 -0.463 25442 6306 1 13 . 1 1 58 58 LYS CB C 58 36.254 36.254 34.916 1.338 25442 6307 1 13 . 1 1 58 58 LYS H H 58 8.389 8.389 8.131 0.258 25442 6308 1 13 . 1 1 59 59 TYR N N 59 126.761 126.761 126.630 0.131 25442 6309 1 13 . 1 1 59 59 TYR HA H 59 5.061 5.061 4.663 0.398 25442 6310 1 13 . 1 1 59 59 TYR CA C 59 58.271 58.271 56.244 2.027 25442 6311 1 13 . 1 1 59 59 TYR H H 59 9.035 9.035 8.797 0.238 25442 6312 1 13 . 1 1 60 60 GLU N N 60 120.097 120.097 122.242 -2.145 25442 6313 1 13 . 1 1 60 60 GLU HA H 60 3.890 3.890 3.870 0.020 25442 6314 1 13 . 1 1 60 60 GLU CA C 60 59.244 59.244 58.397 0.847 25442 6315 1 13 . 1 1 60 60 GLU CB C 60 31.145 31.145 29.614 1.531 25442 6316 1 13 . 1 1 60 60 GLU H H 60 8.796 8.796 8.170 0.626 25442 6317 1 13 . 1 1 61 61 ASP N N 61 117.697 117.697 115.887 1.810 25442 6318 1 13 . 1 1 61 61 ASP HA H 61 4.842 4.842 4.721 0.121 25442 6319 1 13 . 1 1 61 61 ASP CA C 61 51.550 51.550 53.605 -2.054 25442 6320 1 13 . 1 1 61 61 ASP CB C 61 43.258 43.258 41.990 1.268 25442 6321 1 13 . 1 1 61 61 ASP H H 61 8.006 8.006 6.917 1.089 25442 6322 1 13 . 1 1 62 62 GLN N N 62 126.321 126.321 120.160 6.161 25442 6323 1 13 . 1 1 62 62 GLN HA H 62 4.223 4.223 4.351 -0.128 25442 6324 1 13 . 1 1 62 62 GLN CA C 62 58.637 58.637 58.148 0.489 25442 6325 1 13 . 1 1 62 62 GLN CB C 62 27.994 27.994 29.147 -1.153 25442 6326 1 13 . 1 1 62 62 GLN H H 62 9.053 9.053 8.605 0.448 25442 6327 1 13 . 1 1 63 63 ARG N N 63 121.086 121.086 119.045 2.041 25442 6328 1 13 . 1 1 63 63 ARG HA H 63 3.654 3.654 4.157 -0.503 25442 6329 1 13 . 1 1 63 63 ARG CA C 63 58.971 58.971 58.864 0.107 25442 6330 1 13 . 1 1 63 63 ARG H H 63 8.960 8.960 8.505 0.455 25442 6331 1 13 . 1 1 64 64 SER N N 64 114.891 114.891 112.652 2.239 25442 6332 1 13 . 1 1 64 64 SER HA H 64 3.704 3.704 4.301 -0.597 25442 6333 1 13 . 1 1 64 64 SER CA C 64 63.589 63.589 61.110 2.479 25442 6334 1 13 . 1 1 64 64 SER H H 64 8.143 8.143 8.416 -0.273 25442 6335 1 13 . 1 1 65 65 THR N N 65 111.019 111.019 115.547 -4.528 25442 6336 1 13 . 1 1 65 65 THR HA H 65 3.765 3.765 4.194 -0.429 25442 6337 1 13 . 1 1 65 65 THR CA C 65 66.198 66.198 65.552 0.646 25442 6338 1 13 . 1 1 65 65 THR CB C 65 68.461 68.461 69.078 -0.617 25442 6339 1 13 . 1 1 65 65 THR H H 65 7.633 7.633 7.699 -0.066 25442 6340 1 13 . 1 1 66 66 ILE N N 66 123.242 123.242 122.767 0.475 25442 6341 1 13 . 1 1 66 66 ILE HA H 66 3.673 3.673 3.882 -0.209 25442 6342 1 13 . 1 1 66 66 ILE CA C 66 64.506 64.506 65.103 -0.597 25442 6343 1 13 . 1 1 66 66 ILE CB C 66 38.668 38.668 37.812 0.856 25442 6344 1 13 . 1 1 66 66 ILE H H 66 6.648 6.648 7.523 -0.875 25442 6345 1 13 . 1 1 67 67 LEU N N 67 113.375 113.375 120.196 -6.821 25442 6346 1 13 . 1 1 67 67 LEU HA H 67 3.627 3.627 3.887 -0.260 25442 6347 1 13 . 1 1 67 67 LEU CA C 67 57.678 57.678 58.305 -0.627 25442 6348 1 13 . 1 1 67 67 LEU CB C 67 41.866 41.866 41.648 0.218 25442 6349 1 13 . 1 1 67 67 LEU H H 67 6.899 6.899 7.435 -0.536 25442 6350 1 13 . 1 1 68 68 ALA N N 68 120.327 120.327 120.699 -0.372 25442 6351 1 13 . 1 1 68 68 ALA HA H 68 3.406 3.406 3.580 -0.174 25442 6352 1 13 . 1 1 68 68 ALA CA C 68 55.643 55.643 54.981 0.662 25442 6353 1 13 . 1 1 68 68 ALA CB C 68 19.395 19.395 18.205 1.190 25442 6354 1 13 . 1 1 68 68 ALA H H 68 8.201 8.201 8.427 -0.226 25442 6355 1 13 . 1 1 69 69 VAL N N 69 118.977 118.977 119.734 -0.757 25442 6356 1 13 . 1 1 69 69 VAL HA H 69 3.221 3.221 3.525 -0.304 25442 6357 1 13 . 1 1 69 69 VAL CA C 69 67.039 67.039 66.784 0.255 25442 6358 1 13 . 1 1 69 69 VAL CB C 69 31.896 31.896 31.310 0.586 25442 6359 1 13 . 1 1 69 69 VAL H H 69 8.235 8.235 7.712 0.523 25442 6360 1 13 . 1 1 70 70 ASP N N 70 116.894 116.894 119.093 -2.199 25442 6361 1 13 . 1 1 70 70 ASP HA H 70 3.941 3.941 4.366 -0.425 25442 6362 1 13 . 1 1 70 70 ASP CA C 70 57.576 57.576 56.712 0.864 25442 6363 1 13 . 1 1 70 70 ASP CB C 70 39.037 39.037 40.615 -1.578 25442 6364 1 13 . 1 1 70 70 ASP H H 70 8.152 8.152 7.757 0.395 25442 6365 1 13 . 1 1 71 71 ASN N N 71 110.936 110.936 117.104 -6.168 25442 6366 1 13 . 1 1 71 71 ASN HA H 71 5.009 5.009 4.325 0.684 25442 6367 1 13 . 1 1 71 71 ASN CA C 71 55.710 55.710 55.649 0.061 25442 6368 1 13 . 1 1 71 71 ASN CB C 71 42.091 42.091 38.541 3.550 25442 6369 1 13 . 1 1 71 71 ASN H H 71 7.562 7.562 8.262 -0.700 25442 6370 1 13 . 1 1 72 72 LEU N N 72 116.460 116.460 116.416 0.044 25442 6371 1 13 . 1 1 72 72 LEU HA H 72 4.686 4.686 4.305 0.381 25442 6372 1 13 . 1 1 72 72 LEU CA C 72 54.411 54.411 54.315 0.096 25442 6373 1 13 . 1 1 72 72 LEU CB C 72 42.477 42.477 42.650 -0.173 25442 6374 1 13 . 1 1 72 72 LEU H H 72 8.406 8.406 7.711 0.695 25442 6375 1 13 . 1 1 73 73 ASN N N 73 118.618 118.618 119.001 -0.383 25442 6376 1 13 . 1 1 73 73 ASN HA H 73 4.419 4.419 4.581 -0.162 25442 6377 1 13 . 1 1 73 73 ASN CA C 73 56.716 56.716 54.476 2.240 25442 6378 1 13 . 1 1 73 73 ASN CB C 73 39.452 39.452 38.871 0.581 25442 6379 1 13 . 1 1 73 73 ASN H H 73 6.956 6.956 8.186 -1.230 25442 6380 1 13 . 1 1 74 74 GLY N N 74 116.095 116.095 113.811 2.284 25442 6381 1 13 . 1 1 74 74 GLY CA C 74 45.912 45.912 45.210 0.702 25442 6382 1 13 . 1 1 74 74 GLY H H 74 9.379 9.379 8.807 0.572 25442 6383 1 13 . 1 1 75 75 PHE N N 75 123.354 123.354 122.705 0.649 25442 6384 1 13 . 1 1 75 75 PHE HA H 75 4.311 4.311 4.560 -0.249 25442 6385 1 13 . 1 1 75 75 PHE CA C 75 58.979 58.979 56.593 2.386 25442 6386 1 13 . 1 1 75 75 PHE CB C 75 41.709 41.709 40.134 1.575 25442 6387 1 13 . 1 1 75 75 PHE H H 75 8.211 8.211 7.669 0.542 25442 6388 1 13 . 1 1 76 76 LYS N N 76 127.267 127.267 128.193 -0.926 25442 6389 1 13 . 1 1 76 76 LYS HA H 76 4.598 4.598 4.054 0.544 25442 6390 1 13 . 1 1 76 76 LYS CA C 76 56.529 56.529 56.079 0.450 25442 6391 1 13 . 1 1 76 76 LYS CB C 76 33.073 33.073 32.011 1.062 25442 6392 1 13 . 1 1 76 76 LYS H H 76 7.648 7.648 8.212 -0.564 25442 6393 1 13 . 1 1 77 77 ILE N N 77 121.576 121.576 124.661 -3.085 25442 6394 1 13 . 1 1 77 77 ILE HA H 77 4.406 4.406 4.181 0.225 25442 6395 1 13 . 1 1 77 77 ILE CA C 77 60.214 60.214 60.754 -0.540 25442 6396 1 13 . 1 1 77 77 ILE CB C 77 40.048 40.048 40.540 -0.492 25442 6397 1 13 . 1 1 77 77 ILE H H 77 8.100 8.100 8.555 -0.454 25442 6398 1 13 . 1 1 78 78 GLY CA C 78 47.118 47.118 45.393 1.725 25442 6399 1 13 . 1 1 79 79 GLY CA C 79 45.171 45.171 44.779 0.392 25442 6400 1 13 . 1 1 80 80 ARG N N 80 119.377 119.377 119.698 -0.321 25442 6401 1 13 . 1 1 80 80 ARG HA H 80 4.650 4.650 4.611 0.039 25442 6402 1 13 . 1 1 80 80 ARG CA C 80 54.849 54.849 54.225 0.624 25442 6403 1 13 . 1 1 80 80 ARG CB C 80 33.411 33.411 33.746 -0.335 25442 6404 1 13 . 1 1 80 80 ARG H H 80 7.379 7.379 7.486 -0.107 25442 6405 1 13 . 1 1 81 81 ALA N N 81 126.782 126.782 123.970 2.812 25442 6406 1 13 . 1 1 81 81 ALA HA H 81 4.137 4.137 4.604 -0.467 25442 6407 1 13 . 1 1 81 81 ALA CA C 81 51.454 51.454 51.065 0.389 25442 6408 1 13 . 1 1 81 81 ALA CB C 81 19.131 19.131 19.884 -0.753 25442 6409 1 13 . 1 1 81 81 ALA H H 81 8.734 8.734 8.369 0.365 25442 6410 1 13 . 1 1 82 82 LEU N N 82 125.769 125.769 120.220 5.549 25442 6411 1 13 . 1 1 82 82 LEU HA H 82 4.390 4.390 4.792 -0.402 25442 6412 1 13 . 1 1 82 82 LEU CA C 82 56.196 56.196 54.087 2.109 25442 6413 1 13 . 1 1 82 82 LEU CB C 82 43.362 43.362 42.648 0.714 25442 6414 1 13 . 1 1 82 82 LEU H H 82 8.736 8.736 8.272 0.464 25442 6415 1 13 . 1 1 83 83 LYS N N 83 123.851 123.851 120.978 2.873 25442 6416 1 13 . 1 1 83 83 LYS HA H 83 5.005 5.005 4.706 0.299 25442 6417 1 13 . 1 1 83 83 LYS CA C 83 54.790 54.790 54.422 0.368 25442 6418 1 13 . 1 1 83 83 LYS CB C 83 34.212 34.212 34.460 -0.248 25442 6419 1 13 . 1 1 83 83 LYS H H 83 7.838 7.838 8.481 -0.643 25442 6420 1 13 . 1 1 84 84 ILE N N 84 125.629 125.629 127.834 -2.205 25442 6421 1 13 . 1 1 84 84 ILE HA H 84 5.576 5.576 4.952 0.624 25442 6422 1 13 . 1 1 84 84 ILE CA C 84 58.513 58.513 59.231 -0.718 25442 6423 1 13 . 1 1 84 84 ILE CB C 84 40.310 40.310 37.764 2.546 25442 6424 1 13 . 1 1 84 84 ILE H H 84 8.727 8.727 8.637 0.090 25442 6425 1 13 . 1 1 85 85 ASP N N 85 124.427 124.427 127.310 -2.883 25442 6426 1 13 . 1 1 85 85 ASP HA H 85 5.094 5.094 4.900 0.194 25442 6427 1 13 . 1 1 85 85 ASP CA C 85 52.697 52.697 52.677 0.020 25442 6428 1 13 . 1 1 85 85 ASP CB C 85 45.574 45.574 44.876 0.699 25442 6429 1 13 . 1 1 85 85 ASP H H 85 8.960 8.960 8.728 0.232 25442 6430 1 13 . 1 1 86 86 HIS N N 86 121.356 121.356 120.561 0.795 25442 6431 1 13 . 1 1 86 86 HIS HA H 86 4.635 4.635 5.089 -0.454 25442 6432 1 13 . 1 1 86 86 HIS CA C 86 58.158 58.158 56.838 1.320 25442 6433 1 13 . 1 1 86 86 HIS CB C 86 31.368 31.368 30.844 0.524 25442 6434 1 13 . 1 1 86 86 HIS H H 86 8.783 8.783 8.620 0.163 25442 6435 1 13 . 1 1 87 87 THR N N 87 114.331 114.331 116.657 -2.326 25442 6436 1 13 . 1 1 87 87 THR HA H 87 4.691 4.691 4.697 -0.006 25442 6437 1 13 . 1 1 87 87 THR CA C 87 60.890 60.890 60.233 0.657 25442 6438 1 13 . 1 1 87 87 THR CB C 87 70.215 70.215 70.021 0.194 25442 6439 1 13 . 1 1 87 87 THR H H 87 8.032 8.032 8.889 -0.857 25442 6440 1 13 . 1 1 88 88 PHE N N 88 118.673 118.673 121.911 -3.238 25442 6441 1 13 . 1 1 88 88 PHE HA H 88 4.305 4.305 4.930 -0.625 25442 6442 1 13 . 1 1 88 88 PHE CA C 88 58.926 58.926 55.282 3.644 25442 6443 1 13 . 1 1 88 88 PHE CB C 88 39.673 39.673 38.092 1.581 25442 6444 1 13 . 1 1 88 88 PHE H H 88 8.233 8.233 8.521 -0.288 25442 6445 1 13 . 1 1 89 89 TYR N N 89 124.182 124.182 123.030 1.152 25442 6446 1 13 . 1 1 89 89 TYR HA H 89 4.193 4.193 3.879 0.314 25442 6447 1 13 . 1 1 89 89 TYR CA C 89 58.510 58.510 58.452 0.058 25442 6448 1 13 . 1 1 89 89 TYR CB C 89 39.993 39.993 38.408 1.585 25442 6449 1 13 . 1 1 89 89 TYR H H 89 8.246 8.246 7.164 1.082 25442 6450 1 13 . 1 1 90 90 ARG N N 90 125.111 125.111 127.919 -2.808 25442 6451 1 13 . 1 1 90 90 ARG HA H 90 4.219 4.219 4.182 0.037 25442 6452 1 13 . 1 1 90 90 ARG CA C 90 52.511 52.511 52.347 0.164 25442 6453 1 13 . 1 1 90 90 ARG CB C 90 31.298 31.298 30.595 0.703 25442 6454 1 13 . 1 1 90 90 ARG H H 90 7.223 7.223 7.920 -0.697 25442 6455 1 13 . 1 1 91 91 PRO HA H 91 4.028 4.028 4.069 -0.041 25442 6456 1 13 . 1 1 91 91 PRO CA C 91 62.759 62.759 62.472 0.287 25442 6457 1 13 . 1 1 91 91 PRO CB C 91 32.074 32.074 31.799 0.275 25442 6458 1 13 . 1 1 94 94 SER HA H 94 4.466 4.466 4.478 -0.012 25442 6459 1 13 . 1 1 94 94 SER CA C 94 58.273 58.273 58.246 0.027 25442 6460 1 13 . 1 1 94 94 SER CB C 94 63.656 63.656 64.484 -0.828 25442 6461 1 13 . 1 1 95 95 LEU HA H 95 4.369 4.369 4.275 0.094 25442 6462 1 13 . 1 1 95 95 LEU CA C 95 55.482 55.482 55.731 -0.249 25442 6463 1 13 . 1 1 95 95 LEU CB C 95 42.350 42.350 40.568 1.782 25442 6464 1 13 . 1 1 97 97 LYS HA H 97 4.197 4.197 4.675 -0.478 25442 6465 1 13 . 1 1 97 97 LYS CA C 97 56.923 56.923 55.934 0.989 25442 6466 1 13 . 1 1 97 97 LYS CB C 97 32.936 32.936 33.015 -0.079 25442 6467 1 13 . 1 1 98 98 TYR N N 98 120.486 120.486 122.227 -1.741 25442 6468 1 13 . 1 1 98 98 TYR HA H 98 4.477 4.477 4.159 0.318 25442 6469 1 13 . 1 1 98 98 TYR CA C 98 58.249 58.249 61.025 -2.776 25442 6470 1 13 . 1 1 98 98 TYR CB C 98 38.659 38.659 38.351 0.308 25442 6471 1 13 . 1 1 98 98 TYR H H 98 7.979 7.979 8.477 -0.498 25442 6472 1 13 . 1 1 99 99 TYR N N 99 120.784 120.784 119.322 1.462 25442 6473 1 13 . 1 1 99 99 TYR HA H 99 4.455 4.455 3.995 0.460 25442 6474 1 13 . 1 1 99 99 TYR CA C 99 58.281 58.281 60.301 -2.020 25442 6475 1 13 . 1 1 99 99 TYR CB C 99 38.902 38.902 38.110 0.792 25442 6476 1 13 . 1 1 99 99 TYR H H 99 7.918 7.918 8.587 -0.669 25442 6477 1 13 . 1 1 100 100 GLU N N 100 122.033 122.033 118.664 3.369 25442 6478 1 13 . 1 1 100 100 GLU HA H 100 4.171 4.171 3.812 0.359 25442 6479 1 13 . 1 1 100 100 GLU CA C 100 56.766 56.766 58.673 -1.907 25442 6480 1 13 . 1 1 100 100 GLU H H 100 8.055 8.055 7.815 0.240 25442 6481 1 13 . 1 1 101 101 ALA N N 101 124.629 124.629 120.693 3.936 25442 6482 1 13 . 1 1 101 101 ALA HA H 101 4.283 4.283 3.921 0.362 25442 6483 1 13 . 1 1 101 101 ALA CA C 101 52.795 52.795 54.222 -1.427 25442 6484 1 13 . 1 1 101 101 ALA CB C 101 19.150 19.150 18.679 0.471 25442 6485 1 13 . 1 1 101 101 ALA H H 101 8.040 8.040 7.539 0.501 25442 6486 1 13 . 1 1 102 102 VAL N N 102 119.031 119.031 117.482 1.549 25442 6487 1 13 . 1 1 102 102 VAL HA H 102 4.039 4.039 3.574 0.465 25442 6488 1 13 . 1 1 102 102 VAL CA C 102 62.675 62.675 65.418 -2.743 25442 6489 1 13 . 1 1 102 102 VAL CB C 102 32.610 32.610 31.675 0.935 25442 6490 1 13 . 1 1 102 102 VAL H H 102 7.960 7.960 7.019 0.941 25442 6491 1 13 . 1 1 103 103 LYS N N 103 124.562 124.562 119.164 5.398 25442 6492 1 13 . 1 1 103 103 LYS HA H 103 4.258 4.258 4.319 -0.061 25442 6493 1 13 . 1 1 103 103 LYS CA C 103 56.797 56.797 55.563 1.234 25442 6494 1 13 . 1 1 103 103 LYS CB C 103 33.012 33.012 31.715 1.298 25442 6495 1 13 . 1 1 103 103 LYS H H 103 8.207 8.207 7.144 1.063 25442 6496 1 13 . 1 1 104 104 GLU N N 104 121.722 121.722 121.472 0.250 25442 6497 1 13 . 1 1 104 104 GLU HA H 104 4.263 4.263 4.308 -0.045 25442 6498 1 13 . 1 1 104 104 GLU CA C 104 57.034 57.034 56.339 0.695 25442 6499 1 13 . 1 1 104 104 GLU CB C 104 30.351 30.351 30.394 -0.043 25442 6500 1 13 . 1 1 104 104 GLU H H 104 8.325 8.325 8.064 0.261 25442 6501 1 13 . 1 1 105 105 GLU N N 105 121.479 121.479 118.685 2.794 25442 6502 1 13 . 1 1 105 105 GLU HA H 105 4.264 4.264 3.965 0.299 25442 6503 1 13 . 1 1 105 105 GLU CA C 105 56.802 56.802 57.196 -0.394 25442 6504 1 13 . 1 1 105 105 GLU CB C 105 30.351 30.351 29.404 0.947 25442 6505 1 13 . 1 1 105 105 GLU H H 105 8.288 8.288 8.499 -0.211 25442 6506 1 13 . 1 1 106 106 LEU N N 106 122.549 122.549 123.647 -1.098 25442 6507 1 13 . 1 1 106 106 LEU HA H 106 4.316 4.316 4.107 0.209 25442 6508 1 13 . 1 1 106 106 LEU CA C 106 55.545 55.545 56.574 -1.029 25442 6509 1 13 . 1 1 106 106 LEU CB C 106 42.538 42.538 40.846 1.692 25442 6510 1 13 . 1 1 106 106 LEU H H 106 8.154 8.154 8.186 -0.032 25442 6511 1 13 . 1 1 107 107 ASP N N 107 120.656 120.656 123.332 -2.676 25442 6512 1 13 . 1 1 107 107 ASP HA H 107 4.587 4.587 4.679 -0.092 25442 6513 1 13 . 1 1 107 107 ASP CA C 107 54.715 54.715 53.959 0.756 25442 6514 1 13 . 1 1 107 107 ASP CB C 107 41.125 41.125 41.450 -0.325 25442 6515 1 13 . 1 1 107 107 ASP H H 107 8.273 8.273 8.313 -0.040 25442 6516 1 13 . 1 1 108 108 ARG N N 108 120.710 120.710 119.774 0.936 25442 6517 1 13 . 1 1 108 108 ARG HA H 108 4.272 4.272 4.531 -0.259 25442 6518 1 13 . 1 1 108 108 ARG CA C 108 56.778 56.778 55.442 1.336 25442 6519 1 13 . 1 1 108 108 ARG CB C 108 30.835 30.835 32.148 -1.313 25442 6520 1 13 . 1 1 108 108 ARG H H 108 8.041 8.041 7.742 0.299 25442 6521 1 13 . 1 1 109 109 ASP N N 109 120.647 120.647 118.161 2.486 25442 6522 1 13 . 1 1 109 109 ASP CA C 109 54.862 54.862 55.468 -0.606 25442 6523 1 13 . 1 1 109 109 ASP H H 109 8.331 8.331 8.672 -0.341 25442 6524 1 13 . 1 1 110 110 ILE N N 110 120.220 120.220 112.319 7.901 25442 6525 1 13 . 1 1 110 110 ILE HA H 110 4.140 4.140 4.243 -0.103 25442 6526 1 13 . 1 1 110 110 ILE CA C 110 61.760 61.760 61.102 0.658 25442 6527 1 13 . 1 1 110 110 ILE CB C 110 38.643 38.643 37.784 0.859 25442 6528 1 13 . 1 1 110 110 ILE H H 110 7.910 7.910 7.938 -0.028 25442 6529 1 13 . 1 1 111 111 VAL N N 111 122.698 122.698 120.551 2.147 25442 6530 1 13 . 1 1 111 111 VAL HA H 111 4.095 4.095 4.253 -0.158 25442 6531 1 13 . 1 1 111 111 VAL CA C 111 62.982 62.982 61.646 1.336 25442 6532 1 13 . 1 1 111 111 VAL CB C 111 32.438 32.438 33.205 -0.767 25442 6533 1 13 . 1 1 111 111 VAL H H 111 8.018 8.018 7.451 0.567 25442 6534 1 13 . 1 1 112 112 SER HA H 112 4.439 4.439 4.146 0.293 25442 6535 1 13 . 1 1 112 112 SER CA C 112 58.581 58.581 59.447 -0.866 25442 6536 1 13 . 1 1 112 112 SER CB C 112 63.717 63.717 62.318 1.399 25442 6537 1 13 . 1 1 114 114 ASN HA H 114 4.690 4.690 4.809 -0.119 25442 6538 1 13 . 1 1 114 114 ASN CA C 114 53.462 53.462 53.765 -0.303 25442 6539 1 13 . 1 1 114 114 ASN CB C 114 39.073 39.073 39.585 -0.512 25442 6540 1 13 . 1 1 115 115 ASN HA H 115 4.690 4.690 4.789 -0.099 25442 6541 1 13 . 1 1 115 115 ASN CA C 115 53.476 53.476 54.134 -0.658 25442 6542 1 13 . 1 1 115 115 ASN CB C 115 39.073 39.073 39.400 -0.327 25442 6543 1 13 . 1 1 116 116 ALA N N 116 123.691 123.691 125.632 -1.941 25442 6544 1 13 . 1 1 116 116 ALA HA H 116 4.355 4.355 4.370 -0.015 25442 6545 1 13 . 1 1 116 116 ALA CA C 116 52.748 52.748 52.120 0.628 25442 6546 1 13 . 1 1 116 116 ALA CB C 116 19.559 19.559 19.631 -0.072 25442 6547 1 13 . 1 1 116 116 ALA H H 116 8.144 8.144 8.267 -0.123 25442 6548 1 13 . 1 1 117 117 GLU N N 117 120.174 120.174 120.054 0.120 25442 6549 1 13 . 1 1 117 117 GLU HA H 117 4.284 4.284 3.998 0.286 25442 6550 1 13 . 1 1 117 117 GLU CA C 117 56.731 56.731 57.230 -0.499 25442 6551 1 13 . 1 1 117 117 GLU CB C 117 29.944 29.944 30.022 -0.078 25442 6552 1 13 . 1 1 117 117 GLU H H 117 8.234 8.234 8.516 -0.282 25442 6553 1 14 . 1 1 2 2 ALA HA H 2 4.335 4.335 4.699 -0.364 25442 6554 1 14 . 1 1 2 2 ALA CA C 2 53.634 53.634 52.430 1.204 25442 6555 1 14 . 1 1 2 2 ALA CB C 2 19.441 19.441 20.206 -0.765 25442 6556 1 14 . 1 1 3 3 MET N N 3 120.791 120.791 121.456 -0.665 25442 6557 1 14 . 1 1 3 3 MET HA H 3 4.499 4.499 4.859 -0.360 25442 6558 1 14 . 1 1 3 3 MET CA C 3 55.772 55.772 54.062 1.710 25442 6559 1 14 . 1 1 3 3 MET CB C 3 32.968 32.968 31.370 1.598 25442 6560 1 14 . 1 1 3 3 MET H H 3 8.636 8.636 8.232 0.404 25442 6561 1 14 . 1 1 4 4 GLY N N 4 109.879 109.879 110.852 -0.973 25442 6562 1 14 . 1 1 4 4 GLY CA C 4 45.531 45.531 46.679 -1.148 25442 6563 1 14 . 1 1 4 4 GLY H H 4 8.391 8.391 8.828 -0.437 25442 6564 1 14 . 1 1 5 5 ASN N N 5 124.309 124.309 118.856 5.453 25442 6565 1 14 . 1 1 5 5 ASN HA H 5 4.661 4.661 4.452 0.209 25442 6566 1 14 . 1 1 5 5 ASN CA C 5 53.419 53.419 55.544 -2.125 25442 6567 1 14 . 1 1 5 5 ASN CB C 5 39.059 39.059 37.548 1.511 25442 6568 1 14 . 1 1 5 5 ASN H H 5 7.954 7.954 8.336 -0.382 25442 6569 1 14 . 1 1 7 7 TYR N N 7 120.088 120.088 118.739 1.349 25442 6570 1 14 . 1 1 7 7 TYR HA H 7 4.463 4.463 4.198 0.265 25442 6571 1 14 . 1 1 7 7 TYR CA C 7 58.098 58.098 61.379 -3.281 25442 6572 1 14 . 1 1 7 7 TYR CB C 7 38.252 38.252 38.907 -0.655 25442 6573 1 14 . 1 1 7 7 TYR H H 7 8.013 8.013 7.729 0.284 25442 6574 1 14 . 1 1 8 8 LYS N N 8 121.766 121.766 117.897 3.869 25442 6575 1 14 . 1 1 8 8 LYS HA H 8 4.174 4.174 4.003 0.171 25442 6576 1 14 . 1 1 8 8 LYS CA C 8 56.835 56.835 58.149 -1.314 25442 6577 1 14 . 1 1 8 8 LYS CB C 8 32.997 32.997 32.817 0.180 25442 6578 1 14 . 1 1 8 8 LYS H H 8 7.845 7.845 7.780 0.065 25442 6579 1 14 . 1 1 9 9 ASP N N 9 119.739 119.739 119.789 -0.050 25442 6580 1 14 . 1 1 9 9 ASP HA H 9 4.477 4.477 4.369 0.108 25442 6581 1 14 . 1 1 9 9 ASP CA C 9 54.660 54.660 55.796 -1.136 25442 6582 1 14 . 1 1 9 9 ASP CB C 9 41.100 41.100 41.312 -0.212 25442 6583 1 14 . 1 1 9 9 ASP H H 9 8.043 8.043 7.740 0.303 25442 6584 1 14 . 1 1 10 10 ASN N N 10 119.260 119.260 120.568 -1.308 25442 6585 1 14 . 1 1 10 10 ASN HA H 10 4.875 4.875 4.634 0.241 25442 6586 1 14 . 1 1 10 10 ASN CA C 10 53.255 53.255 51.527 1.728 25442 6587 1 14 . 1 1 10 10 ASN CB C 10 39.105 39.105 40.705 -1.600 25442 6588 1 14 . 1 1 10 10 ASN H H 10 8.174 8.174 8.072 0.102 25442 6589 1 14 . 1 1 11 11 ALA N N 11 122.869 122.869 121.674 1.195 25442 6590 1 14 . 1 1 11 11 ALA HA H 11 4.544 4.544 4.114 0.430 25442 6591 1 14 . 1 1 11 11 ALA CA C 11 52.866 52.866 50.909 1.957 25442 6592 1 14 . 1 1 11 11 ALA H H 11 8.299 8.299 8.247 0.052 25442 6593 1 14 . 1 1 12 12 TYR N N 12 117.351 117.351 117.201 0.150 25442 6594 1 14 . 1 1 12 12 TYR HA H 12 5.220 5.220 5.336 -0.116 25442 6595 1 14 . 1 1 12 12 TYR CA C 12 57.621 57.621 56.422 1.200 25442 6596 1 14 . 1 1 12 12 TYR CB C 12 41.631 41.631 42.402 -0.771 25442 6597 1 14 . 1 1 12 12 TYR H H 12 8.340 8.340 8.053 0.287 25442 6598 1 14 . 1 1 13 13 ILE N N 13 112.184 112.184 115.505 -3.321 25442 6599 1 14 . 1 1 13 13 ILE HA H 13 5.052 5.052 5.173 -0.121 25442 6600 1 14 . 1 1 13 13 ILE CA C 13 59.995 59.995 59.306 0.689 25442 6601 1 14 . 1 1 13 13 ILE CB C 13 40.418 40.418 41.949 -1.531 25442 6602 1 14 . 1 1 13 13 ILE H H 13 9.216 9.216 8.373 0.843 25442 6603 1 14 . 1 1 14 14 TYR N N 14 123.504 123.504 125.869 -2.365 25442 6604 1 14 . 1 1 14 14 TYR HA H 14 4.690 4.690 4.978 -0.288 25442 6605 1 14 . 1 1 14 14 TYR CA C 14 56.688 56.688 56.967 -0.279 25442 6606 1 14 . 1 1 14 14 TYR CB C 14 40.564 40.564 40.681 -0.117 25442 6607 1 14 . 1 1 14 14 TYR H H 14 9.086 9.086 9.151 -0.065 25442 6608 1 14 . 1 1 15 15 ILE N N 15 127.611 127.611 127.385 0.226 25442 6609 1 14 . 1 1 15 15 ILE HA H 15 4.288 4.288 4.698 -0.410 25442 6610 1 14 . 1 1 15 15 ILE CA C 15 59.654 59.654 59.669 -0.015 25442 6611 1 14 . 1 1 15 15 ILE CB C 15 40.260 40.260 39.739 0.521 25442 6612 1 14 . 1 1 15 15 ILE H H 15 8.448 8.448 8.033 0.415 25442 6613 1 14 . 1 1 16 16 GLY N N 16 112.660 112.660 111.773 0.887 25442 6614 1 14 . 1 1 16 16 GLY CA C 16 43.240 43.240 43.895 -0.655 25442 6615 1 14 . 1 1 16 16 GLY H H 16 9.438 9.438 7.879 1.559 25442 6616 1 14 . 1 1 17 17 ASN N N 17 114.980 114.980 115.964 -0.984 25442 6617 1 14 . 1 1 17 17 ASN HA H 17 4.439 4.439 4.367 0.072 25442 6618 1 14 . 1 1 17 17 ASN CA C 17 53.251 53.251 54.355 -1.104 25442 6619 1 14 . 1 1 17 17 ASN CB C 17 38.259 38.259 37.844 0.415 25442 6620 1 14 . 1 1 17 17 ASN H H 17 8.497 8.497 8.442 0.055 25442 6621 1 14 . 1 1 18 18 LEU N N 18 115.182 115.182 113.145 2.037 25442 6622 1 14 . 1 1 18 18 LEU HA H 18 4.068 4.068 4.699 -0.631 25442 6623 1 14 . 1 1 18 18 LEU CA C 18 54.073 54.073 53.233 0.840 25442 6624 1 14 . 1 1 18 18 LEU CB C 18 42.912 42.912 43.514 -0.602 25442 6625 1 14 . 1 1 18 18 LEU H H 18 7.859 7.859 7.339 0.520 25442 6626 1 14 . 1 1 19 19 ASN N N 19 122.392 122.392 118.415 3.977 25442 6627 1 14 . 1 1 19 19 ASN HA H 19 4.464 4.464 4.724 -0.260 25442 6628 1 14 . 1 1 19 19 ASN CA C 19 54.087 54.087 53.700 0.387 25442 6629 1 14 . 1 1 19 19 ASN CB C 19 38.703 38.703 39.039 -0.336 25442 6630 1 14 . 1 1 19 19 ASN H H 19 8.727 8.727 8.766 -0.039 25442 6631 1 14 . 1 1 20 20 ARG N N 20 126.283 126.283 125.536 0.747 25442 6632 1 14 . 1 1 20 20 ARG HA H 20 3.937 3.937 3.962 -0.025 25442 6633 1 14 . 1 1 20 20 ARG CA C 20 58.719 58.719 58.562 0.157 25442 6634 1 14 . 1 1 20 20 ARG CB C 20 29.719 29.719 29.829 -0.110 25442 6635 1 14 . 1 1 20 20 ARG H H 20 8.940 8.940 8.761 0.179 25442 6636 1 14 . 1 1 21 21 GLU N N 21 117.166 117.166 117.810 -0.644 25442 6637 1 14 . 1 1 21 21 GLU HA H 21 4.321 4.321 4.129 0.192 25442 6638 1 14 . 1 1 21 21 GLU CA C 21 56.778 56.778 57.493 -0.716 25442 6639 1 14 . 1 1 21 21 GLU H H 21 8.867 8.867 8.121 0.746 25442 6640 1 14 . 1 1 22 22 LEU N N 22 119.643 119.643 120.181 -0.538 25442 6641 1 14 . 1 1 22 22 LEU HA H 22 4.540 4.540 4.420 0.120 25442 6642 1 14 . 1 1 22 22 LEU CA C 22 55.505 55.505 54.978 0.527 25442 6643 1 14 . 1 1 22 22 LEU CB C 22 42.251 42.251 41.511 0.740 25442 6644 1 14 . 1 1 22 22 LEU H H 22 7.324 7.324 7.435 -0.111 25442 6645 1 14 . 1 1 23 23 THR N N 23 114.564 114.564 116.395 -1.831 25442 6646 1 14 . 1 1 23 23 THR HA H 23 4.483 4.483 4.522 -0.039 25442 6647 1 14 . 1 1 23 23 THR CA C 23 60.155 60.155 60.196 -0.041 25442 6648 1 14 . 1 1 23 23 THR CB C 23 73.000 73.000 70.912 2.088 25442 6649 1 14 . 1 1 23 23 THR H H 23 9.483 9.483 7.847 1.636 25442 6650 1 14 . 1 1 24 24 GLU N N 24 120.458 120.458 119.621 0.837 25442 6651 1 14 . 1 1 24 24 GLU HA H 24 3.604 3.604 3.962 -0.358 25442 6652 1 14 . 1 1 24 24 GLU CA C 24 62.158 62.158 59.642 2.517 25442 6653 1 14 . 1 1 24 24 GLU H H 24 10.410 10.410 8.859 1.551 25442 6654 1 14 . 1 1 25 25 GLY N N 25 105.261 105.261 107.519 -2.258 25442 6655 1 14 . 1 1 25 25 GLY CA C 25 47.219 47.219 47.004 0.215 25442 6656 1 14 . 1 1 25 25 GLY H H 25 8.402 8.402 7.888 0.514 25442 6657 1 14 . 1 1 26 26 ASP N N 26 122.820 122.820 122.826 -0.006 25442 6658 1 14 . 1 1 26 26 ASP HA H 26 4.515 4.515 4.449 0.066 25442 6659 1 14 . 1 1 26 26 ASP CA C 26 58.005 58.005 57.144 0.861 25442 6660 1 14 . 1 1 26 26 ASP CB C 26 41.261 41.261 40.519 0.742 25442 6661 1 14 . 1 1 26 26 ASP H H 26 7.539 7.539 7.546 -0.007 25442 6662 1 14 . 1 1 27 27 ILE N N 27 118.686 118.686 120.575 -1.889 25442 6663 1 14 . 1 1 27 27 ILE HA H 27 3.609 3.609 3.798 -0.189 25442 6664 1 14 . 1 1 27 27 ILE CA C 27 65.348 65.348 65.239 0.109 25442 6665 1 14 . 1 1 27 27 ILE CB C 27 37.789 37.789 37.927 -0.138 25442 6666 1 14 . 1 1 27 27 ILE H H 27 7.832 7.832 7.824 0.008 25442 6667 1 14 . 1 1 28 28 LEU N N 28 119.737 119.737 120.472 -0.735 25442 6668 1 14 . 1 1 28 28 LEU HA H 28 3.790 3.790 3.852 -0.062 25442 6669 1 14 . 1 1 28 28 LEU CA C 28 59.040 59.040 58.529 0.511 25442 6670 1 14 . 1 1 28 28 LEU CB C 28 42.520 42.520 41.585 0.935 25442 6671 1 14 . 1 1 28 28 LEU H H 28 8.731 8.731 8.190 0.541 25442 6672 1 14 . 1 1 29 29 THR N N 29 119.509 119.509 115.127 4.382 25442 6673 1 14 . 1 1 29 29 THR HA H 29 4.045 4.045 3.920 0.125 25442 6674 1 14 . 1 1 29 29 THR CA C 29 67.196 67.196 66.790 0.406 25442 6675 1 14 . 1 1 29 29 THR CB C 29 69.194 69.194 68.744 0.450 25442 6676 1 14 . 1 1 29 29 THR H H 29 8.251 8.251 7.758 0.493 25442 6677 1 14 . 1 1 30 30 VAL N N 30 117.974 117.974 120.996 -3.022 25442 6678 1 14 . 1 1 30 30 VAL HA H 30 3.869 3.869 3.789 0.080 25442 6679 1 14 . 1 1 30 30 VAL CA C 30 65.727 65.727 65.858 -0.131 25442 6680 1 14 . 1 1 30 30 VAL CB C 30 32.912 32.912 31.815 1.097 25442 6681 1 14 . 1 1 30 30 VAL H H 30 7.627 7.627 7.782 -0.155 25442 6682 1 14 . 1 1 31 31 PHE N N 31 113.937 113.937 116.316 -2.379 25442 6683 1 14 . 1 1 31 31 PHE HA H 31 3.908 3.908 4.718 -0.810 25442 6684 1 14 . 1 1 31 31 PHE CA C 31 62.044 62.044 59.462 2.583 25442 6685 1 14 . 1 1 31 31 PHE CB C 31 37.217 37.217 39.399 -2.182 25442 6686 1 14 . 1 1 31 31 PHE H H 31 8.903 8.903 8.560 0.343 25442 6687 1 14 . 1 1 32 32 SER N N 32 118.854 118.854 117.347 1.507 25442 6688 1 14 . 1 1 32 32 SER HA H 32 5.405 5.405 3.929 1.476 25442 6689 1 14 . 1 1 32 32 SER CA C 32 61.282 61.282 62.436 -1.154 25442 6690 1 14 . 1 1 32 32 SER CB C 32 64.055 64.055 62.909 1.146 25442 6691 1 14 . 1 1 32 32 SER H H 32 8.024 8.024 8.625 -0.601 25442 6692 1 14 . 1 1 33 33 GLU N N 33 121.203 121.203 118.178 3.025 25442 6693 1 14 . 1 1 33 33 GLU HA H 33 2.246 2.246 3.941 -1.695 25442 6694 1 14 . 1 1 33 33 GLU CA C 33 59.596 59.596 58.006 1.590 25442 6695 1 14 . 1 1 33 33 GLU H H 33 6.935 6.935 7.906 -0.971 25442 6696 1 14 . 1 1 34 34 TYR N N 34 108.039 108.039 119.934 -11.895 25442 6697 1 14 . 1 1 34 34 TYR HA H 34 4.953 4.953 4.671 0.282 25442 6698 1 14 . 1 1 34 34 TYR CA C 34 57.226 57.226 56.826 0.400 25442 6699 1 14 . 1 1 34 34 TYR CB C 34 38.821 38.821 37.862 0.959 25442 6700 1 14 . 1 1 34 34 TYR H H 34 6.254 6.254 7.387 -1.133 25442 6701 1 14 . 1 1 35 35 GLY N N 35 103.601 103.601 107.747 -4.146 25442 6702 1 14 . 1 1 35 35 GLY CA C 35 44.594 44.594 44.704 -0.110 25442 6703 1 14 . 1 1 35 35 GLY H H 35 7.247 7.247 7.491 -0.244 25442 6704 1 14 . 1 1 36 36 VAL N N 36 120.482 120.482 122.654 -2.172 25442 6705 1 14 . 1 1 36 36 VAL HA H 36 4.537 4.537 3.938 0.599 25442 6706 1 14 . 1 1 36 36 VAL CA C 36 59.942 59.942 60.876 -0.934 25442 6707 1 14 . 1 1 36 36 VAL CB C 36 33.989 33.989 33.291 0.698 25442 6708 1 14 . 1 1 36 36 VAL H H 36 8.549 8.549 7.427 1.122 25442 6709 1 14 . 1 1 37 37 PRO HA H 37 4.543 4.543 4.533 0.010 25442 6710 1 14 . 1 1 37 37 PRO CA C 37 62.043 62.043 62.200 -0.157 25442 6711 1 14 . 1 1 37 37 PRO CB C 37 31.531 31.531 32.405 -0.874 25442 6712 1 14 . 1 1 38 38 VAL N N 38 118.566 118.566 114.590 3.976 25442 6713 1 14 . 1 1 38 38 VAL HA H 38 4.439 4.439 4.342 0.097 25442 6714 1 14 . 1 1 38 38 VAL CA C 38 61.064 61.064 62.243 -1.179 25442 6715 1 14 . 1 1 38 38 VAL CB C 38 32.842 32.842 32.819 0.022 25442 6716 1 14 . 1 1 38 38 VAL H H 38 9.099 9.099 8.266 0.833 25442 6717 1 14 . 1 1 39 39 ASP N N 39 118.912 118.912 119.510 -0.598 25442 6718 1 14 . 1 1 39 39 ASP HA H 39 4.920 4.920 4.854 0.066 25442 6719 1 14 . 1 1 39 39 ASP CA C 39 54.860 54.860 53.779 1.081 25442 6720 1 14 . 1 1 39 39 ASP CB C 39 44.441 44.441 44.943 -0.502 25442 6721 1 14 . 1 1 39 39 ASP H H 39 7.300 7.300 7.660 -0.360 25442 6722 1 14 . 1 1 40 40 VAL N N 40 123.365 123.365 121.605 1.760 25442 6723 1 14 . 1 1 40 40 VAL HA H 40 4.759 4.759 4.488 0.271 25442 6724 1 14 . 1 1 40 40 VAL CA C 40 61.259 61.259 60.927 0.332 25442 6725 1 14 . 1 1 40 40 VAL CB C 40 34.464 34.464 34.589 -0.124 25442 6726 1 14 . 1 1 40 40 VAL H H 40 8.052 8.052 8.489 -0.437 25442 6727 1 14 . 1 1 41 41 ILE N N 41 127.951 127.951 127.954 -0.003 25442 6728 1 14 . 1 1 41 41 ILE HA H 41 4.361 4.361 4.309 0.052 25442 6729 1 14 . 1 1 41 41 ILE CA C 41 60.204 60.204 60.951 -0.747 25442 6730 1 14 . 1 1 41 41 ILE CB C 41 41.220 41.220 38.574 2.646 25442 6731 1 14 . 1 1 41 41 ILE H H 41 9.031 9.031 8.481 0.550 25442 6732 1 14 . 1 1 42 42 LEU N N 42 130.034 130.034 130.264 -0.230 25442 6733 1 14 . 1 1 42 42 LEU HA H 42 4.415 4.415 4.564 -0.149 25442 6734 1 14 . 1 1 42 42 LEU CA C 42 53.832 53.832 53.610 0.222 25442 6735 1 14 . 1 1 42 42 LEU CB C 42 44.353 44.353 41.078 3.275 25442 6736 1 14 . 1 1 42 42 LEU H H 42 8.935 8.935 8.563 0.372 25442 6737 1 14 . 1 1 43 43 SER N N 43 121.977 121.977 120.657 1.320 25442 6738 1 14 . 1 1 43 43 SER HA H 43 4.092 4.092 4.629 -0.537 25442 6739 1 14 . 1 1 43 43 SER CA C 43 59.298 59.298 58.801 0.497 25442 6740 1 14 . 1 1 43 43 SER CB C 43 62.879 62.879 64.575 -1.696 25442 6741 1 14 . 1 1 43 43 SER H H 43 8.088 8.088 8.356 -0.268 25442 6742 1 14 . 1 1 44 44 ARG N N 44 125.852 125.852 121.160 4.692 25442 6743 1 14 . 1 1 44 44 ARG HA H 44 4.906 4.906 4.754 0.152 25442 6744 1 14 . 1 1 44 44 ARG CA C 44 54.363 54.363 54.744 -0.381 25442 6745 1 14 . 1 1 44 44 ARG CB C 44 34.095 34.095 33.697 0.398 25442 6746 1 14 . 1 1 44 44 ARG H H 44 8.081 8.081 8.360 -0.279 25442 6747 1 14 . 1 1 45 45 ASP N N 45 123.150 123.150 121.798 1.352 25442 6748 1 14 . 1 1 45 45 ASP HA H 45 4.425 4.425 4.692 -0.267 25442 6749 1 14 . 1 1 45 45 ASP CA C 45 54.728 54.728 54.028 0.700 25442 6750 1 14 . 1 1 45 45 ASP CB C 45 43.318 43.318 42.122 1.196 25442 6751 1 14 . 1 1 45 45 ASP H H 45 8.594 8.594 8.342 0.252 25442 6752 1 14 . 1 1 46 46 GLU N N 46 127.786 127.786 125.088 2.698 25442 6753 1 14 . 1 1 46 46 GLU HA H 46 4.048 4.048 4.047 0.001 25442 6754 1 14 . 1 1 46 46 GLU CA C 46 59.018 59.018 58.193 0.825 25442 6755 1 14 . 1 1 46 46 GLU CB C 46 29.870 29.870 29.669 0.201 25442 6756 1 14 . 1 1 46 46 GLU H H 46 9.250 9.250 8.865 0.385 25442 6757 1 14 . 1 1 47 47 ASN N N 47 116.105 116.105 116.242 -0.137 25442 6758 1 14 . 1 1 47 47 ASN HA H 47 4.825 4.825 4.519 0.306 25442 6759 1 14 . 1 1 47 47 ASN CA C 47 55.321 55.321 55.715 -0.394 25442 6760 1 14 . 1 1 47 47 ASN CB C 47 39.927 39.927 39.222 0.705 25442 6761 1 14 . 1 1 47 47 ASN H H 47 8.857 8.857 8.999 -0.142 25442 6762 1 14 . 1 1 48 48 THR N N 48 108.395 108.395 111.019 -2.624 25442 6763 1 14 . 1 1 48 48 THR HA H 48 4.461 4.461 4.449 0.012 25442 6764 1 14 . 1 1 48 48 THR CA C 48 61.883 61.883 62.769 -0.886 25442 6765 1 14 . 1 1 48 48 THR CB C 48 71.194 71.194 70.817 0.378 25442 6766 1 14 . 1 1 48 48 THR H H 48 8.539 8.539 7.586 0.953 25442 6767 1 14 . 1 1 49 49 GLY N N 49 110.910 110.910 111.915 -1.005 25442 6768 1 14 . 1 1 49 49 GLY CA C 49 45.706 45.706 45.654 0.053 25442 6769 1 14 . 1 1 49 49 GLY H H 49 8.293 8.293 8.390 -0.097 25442 6770 1 14 . 1 1 50 50 GLU N N 50 120.328 120.328 119.271 1.057 25442 6771 1 14 . 1 1 50 50 GLU HA H 50 4.162 4.162 4.600 -0.438 25442 6772 1 14 . 1 1 50 50 GLU CA C 50 56.540 56.540 55.569 0.971 25442 6773 1 14 . 1 1 50 50 GLU CB C 50 30.948 30.948 30.128 0.820 25442 6774 1 14 . 1 1 50 50 GLU H H 50 7.854 7.854 7.872 -0.018 25442 6775 1 14 . 1 1 51 51 SER N N 51 117.235 117.235 112.205 5.030 25442 6776 1 14 . 1 1 51 51 SER HA H 51 4.391 4.391 4.739 -0.348 25442 6777 1 14 . 1 1 51 51 SER CA C 51 58.361 58.361 56.914 1.447 25442 6778 1 14 . 1 1 51 51 SER CB C 51 64.438 64.438 66.176 -1.738 25442 6779 1 14 . 1 1 51 51 SER H H 51 8.950 8.950 7.557 1.393 25442 6780 1 14 . 1 1 52 52 GLN N N 52 122.996 122.996 120.561 2.435 25442 6781 1 14 . 1 1 52 52 GLN HA H 52 4.516 4.516 3.921 0.595 25442 6782 1 14 . 1 1 52 52 GLN CA C 52 55.406 55.406 55.783 -0.377 25442 6783 1 14 . 1 1 52 52 GLN CB C 52 29.624 29.624 28.270 1.354 25442 6784 1 14 . 1 1 52 52 GLN H H 52 8.929 8.929 8.442 0.487 25442 6785 1 14 . 1 1 53 53 GLY N N 53 106.139 106.139 107.542 -1.403 25442 6786 1 14 . 1 1 53 53 GLY CA C 53 46.434 46.434 44.868 1.566 25442 6787 1 14 . 1 1 53 53 GLY H H 53 8.876 8.876 8.404 0.472 25442 6788 1 14 . 1 1 54 54 PHE N N 54 112.294 112.294 114.803 -2.509 25442 6789 1 14 . 1 1 54 54 PHE HA H 54 5.436 5.436 5.380 0.056 25442 6790 1 14 . 1 1 54 54 PHE CA C 54 55.464 55.464 54.411 1.053 25442 6791 1 14 . 1 1 54 54 PHE CB C 54 41.207 41.207 41.029 0.178 25442 6792 1 14 . 1 1 54 54 PHE H H 54 6.938 6.938 6.451 0.487 25442 6793 1 14 . 1 1 55 55 ALA N N 55 121.935 121.935 122.776 -0.841 25442 6794 1 14 . 1 1 55 55 ALA HA H 55 5.051 5.051 4.549 0.502 25442 6795 1 14 . 1 1 55 55 ALA CA C 55 49.517 49.517 51.337 -1.820 25442 6796 1 14 . 1 1 55 55 ALA CB C 55 24.966 24.966 22.373 2.593 25442 6797 1 14 . 1 1 55 55 ALA H H 55 9.098 9.098 8.048 1.050 25442 6798 1 14 . 1 1 56 56 TYR N N 56 114.799 114.799 117.182 -2.383 25442 6799 1 14 . 1 1 56 56 TYR HA H 56 5.652 5.652 5.667 -0.015 25442 6800 1 14 . 1 1 56 56 TYR CA C 56 56.128 56.128 56.584 -0.456 25442 6801 1 14 . 1 1 56 56 TYR CB C 56 42.405 42.405 41.909 0.496 25442 6802 1 14 . 1 1 56 56 TYR H H 56 8.572 8.572 8.117 0.455 25442 6803 1 14 . 1 1 57 57 LEU N N 57 123.129 123.129 121.923 1.206 25442 6804 1 14 . 1 1 57 57 LEU HA H 57 5.100 5.100 4.671 0.429 25442 6805 1 14 . 1 1 57 57 LEU CA C 57 54.552 54.552 54.251 0.301 25442 6806 1 14 . 1 1 57 57 LEU H H 57 8.600 8.600 8.482 0.118 25442 6807 1 14 . 1 1 58 58 LYS N N 58 126.556 126.556 124.637 1.919 25442 6808 1 14 . 1 1 58 58 LYS HA H 58 4.553 4.553 4.406 0.147 25442 6809 1 14 . 1 1 58 58 LYS CA C 58 54.518 54.518 54.702 -0.184 25442 6810 1 14 . 1 1 58 58 LYS CB C 58 36.254 36.254 34.540 1.714 25442 6811 1 14 . 1 1 58 58 LYS H H 58 8.389 8.389 8.145 0.244 25442 6812 1 14 . 1 1 59 59 TYR N N 59 126.761 126.761 126.629 0.132 25442 6813 1 14 . 1 1 59 59 TYR HA H 59 5.061 5.061 4.600 0.461 25442 6814 1 14 . 1 1 59 59 TYR CA C 59 58.271 58.271 56.067 2.204 25442 6815 1 14 . 1 1 59 59 TYR H H 59 9.035 9.035 8.511 0.524 25442 6816 1 14 . 1 1 60 60 GLU N N 60 120.097 120.097 123.897 -3.800 25442 6817 1 14 . 1 1 60 60 GLU HA H 60 3.890 3.890 3.867 0.023 25442 6818 1 14 . 1 1 60 60 GLU CA C 60 59.244 59.244 57.953 1.292 25442 6819 1 14 . 1 1 60 60 GLU CB C 60 31.145 31.145 29.879 1.266 25442 6820 1 14 . 1 1 60 60 GLU H H 60 8.796 8.796 8.591 0.205 25442 6821 1 14 . 1 1 61 61 ASP N N 61 117.697 117.697 117.099 0.598 25442 6822 1 14 . 1 1 61 61 ASP HA H 61 4.842 4.842 4.478 0.364 25442 6823 1 14 . 1 1 61 61 ASP CA C 61 51.550 51.550 54.193 -2.643 25442 6824 1 14 . 1 1 61 61 ASP CB C 61 43.258 43.258 40.693 2.565 25442 6825 1 14 . 1 1 61 61 ASP H H 61 8.006 8.006 6.822 1.184 25442 6826 1 14 . 1 1 62 62 GLN N N 62 126.321 126.321 122.520 3.801 25442 6827 1 14 . 1 1 62 62 GLN HA H 62 4.223 4.223 4.087 0.136 25442 6828 1 14 . 1 1 62 62 GLN CA C 62 58.637 58.637 58.477 0.160 25442 6829 1 14 . 1 1 62 62 GLN CB C 62 27.994 27.994 29.075 -1.081 25442 6830 1 14 . 1 1 62 62 GLN H H 62 9.053 9.053 8.632 0.421 25442 6831 1 14 . 1 1 63 63 ARG N N 63 121.086 121.086 119.421 1.665 25442 6832 1 14 . 1 1 63 63 ARG HA H 63 3.654 3.654 4.131 -0.477 25442 6833 1 14 . 1 1 63 63 ARG CA C 63 58.971 58.971 59.003 -0.032 25442 6834 1 14 . 1 1 63 63 ARG H H 63 8.960 8.960 8.512 0.448 25442 6835 1 14 . 1 1 64 64 SER N N 64 114.891 114.891 114.768 0.123 25442 6836 1 14 . 1 1 64 64 SER HA H 64 3.704 3.704 4.437 -0.733 25442 6837 1 14 . 1 1 64 64 SER CA C 64 63.589 63.589 61.782 1.808 25442 6838 1 14 . 1 1 64 64 SER H H 64 8.143 8.143 8.497 -0.354 25442 6839 1 14 . 1 1 65 65 THR N N 65 111.019 111.019 116.414 -5.395 25442 6840 1 14 . 1 1 65 65 THR HA H 65 3.765 3.765 4.207 -0.442 25442 6841 1 14 . 1 1 65 65 THR CA C 65 66.198 66.198 65.611 0.587 25442 6842 1 14 . 1 1 65 65 THR CB C 65 68.461 68.461 68.314 0.147 25442 6843 1 14 . 1 1 65 65 THR H H 65 7.633 7.633 7.812 -0.179 25442 6844 1 14 . 1 1 66 66 ILE N N 66 123.242 123.242 122.008 1.234 25442 6845 1 14 . 1 1 66 66 ILE HA H 66 3.673 3.673 3.775 -0.102 25442 6846 1 14 . 1 1 66 66 ILE CA C 66 64.506 64.506 64.676 -0.170 25442 6847 1 14 . 1 1 66 66 ILE CB C 66 38.668 38.668 37.679 0.989 25442 6848 1 14 . 1 1 66 66 ILE H H 66 6.648 6.648 7.485 -0.837 25442 6849 1 14 . 1 1 67 67 LEU N N 67 113.375 113.375 119.921 -6.546 25442 6850 1 14 . 1 1 67 67 LEU HA H 67 3.627 3.627 3.914 -0.287 25442 6851 1 14 . 1 1 67 67 LEU CA C 67 57.678 57.678 58.475 -0.797 25442 6852 1 14 . 1 1 67 67 LEU CB C 67 41.866 41.866 41.339 0.527 25442 6853 1 14 . 1 1 67 67 LEU H H 67 6.899 6.899 7.771 -0.872 25442 6854 1 14 . 1 1 68 68 ALA N N 68 120.327 120.327 120.934 -0.607 25442 6855 1 14 . 1 1 68 68 ALA HA H 68 3.406 3.406 3.556 -0.150 25442 6856 1 14 . 1 1 68 68 ALA CA C 68 55.643 55.643 54.945 0.698 25442 6857 1 14 . 1 1 68 68 ALA CB C 68 19.395 19.395 17.971 1.424 25442 6858 1 14 . 1 1 68 68 ALA H H 68 8.201 8.201 7.544 0.657 25442 6859 1 14 . 1 1 69 69 VAL N N 69 118.977 118.977 119.013 -0.036 25442 6860 1 14 . 1 1 69 69 VAL HA H 69 3.221 3.221 3.457 -0.236 25442 6861 1 14 . 1 1 69 69 VAL CA C 69 67.039 67.039 67.145 -0.106 25442 6862 1 14 . 1 1 69 69 VAL CB C 69 31.896 31.896 31.815 0.081 25442 6863 1 14 . 1 1 69 69 VAL H H 69 8.235 8.235 7.638 0.597 25442 6864 1 14 . 1 1 70 70 ASP N N 70 116.894 116.894 117.954 -1.060 25442 6865 1 14 . 1 1 70 70 ASP HA H 70 3.941 3.941 4.377 -0.436 25442 6866 1 14 . 1 1 70 70 ASP CA C 70 57.576 57.576 56.434 1.142 25442 6867 1 14 . 1 1 70 70 ASP CB C 70 39.037 39.037 40.523 -1.486 25442 6868 1 14 . 1 1 70 70 ASP H H 70 8.152 8.152 7.701 0.451 25442 6869 1 14 . 1 1 71 71 ASN N N 71 110.936 110.936 116.634 -5.698 25442 6870 1 14 . 1 1 71 71 ASN HA H 71 5.009 5.009 4.416 0.593 25442 6871 1 14 . 1 1 71 71 ASN CA C 71 55.710 55.710 54.421 1.289 25442 6872 1 14 . 1 1 71 71 ASN CB C 71 42.091 42.091 39.115 2.976 25442 6873 1 14 . 1 1 71 71 ASN H H 71 7.562 7.562 7.752 -0.190 25442 6874 1 14 . 1 1 72 72 LEU N N 72 116.460 116.460 117.182 -0.722 25442 6875 1 14 . 1 1 72 72 LEU HA H 72 4.686 4.686 4.400 0.286 25442 6876 1 14 . 1 1 72 72 LEU CA C 72 54.411 54.411 53.998 0.413 25442 6877 1 14 . 1 1 72 72 LEU CB C 72 42.477 42.477 41.262 1.215 25442 6878 1 14 . 1 1 72 72 LEU H H 72 8.406 8.406 7.800 0.606 25442 6879 1 14 . 1 1 73 73 ASN N N 73 118.618 118.618 119.830 -1.212 25442 6880 1 14 . 1 1 73 73 ASN HA H 73 4.419 4.419 4.678 -0.259 25442 6881 1 14 . 1 1 73 73 ASN CA C 73 56.716 56.716 54.258 2.458 25442 6882 1 14 . 1 1 73 73 ASN CB C 73 39.452 39.452 38.552 0.900 25442 6883 1 14 . 1 1 73 73 ASN H H 73 6.956 6.956 7.839 -0.883 25442 6884 1 14 . 1 1 74 74 GLY N N 74 116.095 116.095 114.804 1.291 25442 6885 1 14 . 1 1 74 74 GLY CA C 74 45.912 45.912 45.463 0.449 25442 6886 1 14 . 1 1 74 74 GLY H H 74 9.379 9.379 8.284 1.095 25442 6887 1 14 . 1 1 75 75 PHE N N 75 123.354 123.354 121.823 1.531 25442 6888 1 14 . 1 1 75 75 PHE HA H 75 4.311 4.311 4.376 -0.065 25442 6889 1 14 . 1 1 75 75 PHE CA C 75 58.979 58.979 57.720 1.259 25442 6890 1 14 . 1 1 75 75 PHE CB C 75 41.709 41.709 39.677 2.032 25442 6891 1 14 . 1 1 75 75 PHE H H 75 8.211 8.211 7.227 0.984 25442 6892 1 14 . 1 1 76 76 LYS N N 76 127.267 127.267 127.263 0.004 25442 6893 1 14 . 1 1 76 76 LYS HA H 76 4.598 4.598 4.444 0.154 25442 6894 1 14 . 1 1 76 76 LYS CA C 76 56.529 56.529 55.752 0.777 25442 6895 1 14 . 1 1 76 76 LYS CB C 76 33.073 33.073 32.331 0.742 25442 6896 1 14 . 1 1 76 76 LYS H H 76 7.648 7.648 7.858 -0.210 25442 6897 1 14 . 1 1 77 77 ILE N N 77 121.576 121.576 124.459 -2.883 25442 6898 1 14 . 1 1 77 77 ILE HA H 77 4.406 4.406 4.064 0.342 25442 6899 1 14 . 1 1 77 77 ILE CA C 77 60.214 60.214 61.228 -1.014 25442 6900 1 14 . 1 1 77 77 ILE CB C 77 40.048 40.048 39.644 0.404 25442 6901 1 14 . 1 1 77 77 ILE H H 77 8.100 8.100 8.953 -0.853 25442 6902 1 14 . 1 1 78 78 GLY CA C 78 47.118 47.118 45.192 1.926 25442 6903 1 14 . 1 1 79 79 GLY CA C 79 45.171 45.171 44.805 0.366 25442 6904 1 14 . 1 1 80 80 ARG N N 80 119.377 119.377 121.033 -1.656 25442 6905 1 14 . 1 1 80 80 ARG HA H 80 4.650 4.650 4.701 -0.051 25442 6906 1 14 . 1 1 80 80 ARG CA C 80 54.849 54.849 54.318 0.531 25442 6907 1 14 . 1 1 80 80 ARG CB C 80 33.411 33.411 33.476 -0.065 25442 6908 1 14 . 1 1 80 80 ARG H H 80 7.379 7.379 7.337 0.042 25442 6909 1 14 . 1 1 81 81 ALA N N 81 126.782 126.782 125.005 1.777 25442 6910 1 14 . 1 1 81 81 ALA HA H 81 4.137 4.137 4.982 -0.845 25442 6911 1 14 . 1 1 81 81 ALA CA C 81 51.454 51.454 51.006 0.448 25442 6912 1 14 . 1 1 81 81 ALA CB C 81 19.131 19.131 19.986 -0.855 25442 6913 1 14 . 1 1 81 81 ALA H H 81 8.734 8.734 8.393 0.341 25442 6914 1 14 . 1 1 82 82 LEU N N 82 125.769 125.769 123.514 2.255 25442 6915 1 14 . 1 1 82 82 LEU HA H 82 4.390 4.390 4.367 0.023 25442 6916 1 14 . 1 1 82 82 LEU CA C 82 56.196 56.196 55.591 0.605 25442 6917 1 14 . 1 1 82 82 LEU CB C 82 43.362 43.362 43.575 -0.213 25442 6918 1 14 . 1 1 82 82 LEU H H 82 8.736 8.736 8.146 0.590 25442 6919 1 14 . 1 1 83 83 LYS N N 83 123.851 123.851 124.082 -0.231 25442 6920 1 14 . 1 1 83 83 LYS HA H 83 5.005 5.005 4.735 0.270 25442 6921 1 14 . 1 1 83 83 LYS CA C 83 54.790 54.790 54.967 -0.177 25442 6922 1 14 . 1 1 83 83 LYS CB C 83 34.212 34.212 33.362 0.850 25442 6923 1 14 . 1 1 83 83 LYS H H 83 7.838 7.838 8.366 -0.528 25442 6924 1 14 . 1 1 84 84 ILE N N 84 125.629 125.629 126.538 -0.909 25442 6925 1 14 . 1 1 84 84 ILE HA H 84 5.576 5.576 5.116 0.460 25442 6926 1 14 . 1 1 84 84 ILE CA C 84 58.513 58.513 58.747 -0.234 25442 6927 1 14 . 1 1 84 84 ILE CB C 84 40.310 40.310 38.005 2.305 25442 6928 1 14 . 1 1 84 84 ILE H H 84 8.727 8.727 8.510 0.217 25442 6929 1 14 . 1 1 85 85 ASP N N 85 124.427 124.427 126.340 -1.913 25442 6930 1 14 . 1 1 85 85 ASP HA H 85 5.094 5.094 4.812 0.282 25442 6931 1 14 . 1 1 85 85 ASP CA C 85 52.697 52.697 52.744 -0.047 25442 6932 1 14 . 1 1 85 85 ASP CB C 85 45.574 45.574 44.114 1.460 25442 6933 1 14 . 1 1 85 85 ASP H H 85 8.960 8.960 8.407 0.553 25442 6934 1 14 . 1 1 86 86 HIS N N 86 121.356 121.356 120.858 0.498 25442 6935 1 14 . 1 1 86 86 HIS HA H 86 4.635 4.635 5.073 -0.438 25442 6936 1 14 . 1 1 86 86 HIS CA C 86 58.158 58.158 57.514 0.644 25442 6937 1 14 . 1 1 86 86 HIS CB C 86 31.368 31.368 31.521 -0.153 25442 6938 1 14 . 1 1 86 86 HIS H H 86 8.783 8.783 8.736 0.047 25442 6939 1 14 . 1 1 87 87 THR N N 87 114.331 114.331 112.924 1.407 25442 6940 1 14 . 1 1 87 87 THR HA H 87 4.691 4.691 4.718 -0.027 25442 6941 1 14 . 1 1 87 87 THR CA C 87 60.890 60.890 61.712 -0.822 25442 6942 1 14 . 1 1 87 87 THR CB C 87 70.215 70.215 71.164 -0.949 25442 6943 1 14 . 1 1 87 87 THR H H 87 8.032 8.032 9.132 -1.100 25442 6944 1 14 . 1 1 88 88 PHE N N 88 118.673 118.673 118.901 -0.228 25442 6945 1 14 . 1 1 88 88 PHE HA H 88 4.305 4.305 4.295 0.010 25442 6946 1 14 . 1 1 88 88 PHE CA C 88 58.926 58.926 59.592 -0.666 25442 6947 1 14 . 1 1 88 88 PHE CB C 88 39.673 39.673 37.241 2.432 25442 6948 1 14 . 1 1 88 88 PHE H H 88 8.233 8.233 7.932 0.301 25442 6949 1 14 . 1 1 89 89 TYR N N 89 124.182 124.182 117.360 6.822 25442 6950 1 14 . 1 1 89 89 TYR HA H 89 4.193 4.193 4.476 -0.283 25442 6951 1 14 . 1 1 89 89 TYR CA C 89 58.510 58.510 56.993 1.517 25442 6952 1 14 . 1 1 89 89 TYR CB C 89 39.993 39.993 39.332 0.661 25442 6953 1 14 . 1 1 89 89 TYR H H 89 8.246 8.246 7.538 0.708 25442 6954 1 14 . 1 1 90 90 ARG N N 90 125.111 125.111 125.532 -0.421 25442 6955 1 14 . 1 1 90 90 ARG HA H 90 4.219 4.219 4.203 0.016 25442 6956 1 14 . 1 1 90 90 ARG CA C 90 52.511 52.511 53.221 -0.709 25442 6957 1 14 . 1 1 90 90 ARG CB C 90 31.298 31.298 29.403 1.895 25442 6958 1 14 . 1 1 90 90 ARG H H 90 7.223 7.223 8.378 -1.155 25442 6959 1 14 . 1 1 91 91 PRO HA H 91 4.028 4.028 4.060 -0.032 25442 6960 1 14 . 1 1 91 91 PRO CA C 91 62.759 62.759 63.628 -0.869 25442 6961 1 14 . 1 1 91 91 PRO CB C 91 32.074 32.074 31.838 0.236 25442 6962 1 14 . 1 1 94 94 SER HA H 94 4.466 4.466 4.500 -0.034 25442 6963 1 14 . 1 1 94 94 SER CA C 94 58.273 58.273 57.866 0.407 25442 6964 1 14 . 1 1 94 94 SER CB C 94 63.656 63.656 64.731 -1.075 25442 6965 1 14 . 1 1 95 95 LEU HA H 95 4.369 4.369 4.566 -0.197 25442 6966 1 14 . 1 1 95 95 LEU CA C 95 55.482 55.482 53.880 1.602 25442 6967 1 14 . 1 1 95 95 LEU CB C 95 42.350 42.350 41.021 1.329 25442 6968 1 14 . 1 1 97 97 LYS HA H 97 4.197 4.197 3.841 0.356 25442 6969 1 14 . 1 1 97 97 LYS CA C 97 56.923 56.923 58.200 -1.277 25442 6970 1 14 . 1 1 97 97 LYS CB C 97 32.936 32.936 32.298 0.638 25442 6971 1 14 . 1 1 98 98 TYR N N 98 120.486 120.486 116.650 3.836 25442 6972 1 14 . 1 1 98 98 TYR HA H 98 4.477 4.477 3.751 0.726 25442 6973 1 14 . 1 1 98 98 TYR CA C 98 58.249 58.249 58.378 -0.129 25442 6974 1 14 . 1 1 98 98 TYR CB C 98 38.659 38.659 39.566 -0.907 25442 6975 1 14 . 1 1 98 98 TYR H H 98 7.979 7.979 7.264 0.715 25442 6976 1 14 . 1 1 99 99 TYR N N 99 120.784 120.784 117.247 3.537 25442 6977 1 14 . 1 1 99 99 TYR HA H 99 4.455 4.455 4.681 -0.226 25442 6978 1 14 . 1 1 99 99 TYR CA C 99 58.281 58.281 58.313 -0.032 25442 6979 1 14 . 1 1 99 99 TYR CB C 99 38.902 38.902 38.958 -0.056 25442 6980 1 14 . 1 1 99 99 TYR H H 99 7.918 7.918 8.245 -0.327 25442 6981 1 14 . 1 1 100 100 GLU N N 100 122.033 122.033 122.217 -0.184 25442 6982 1 14 . 1 1 100 100 GLU HA H 100 4.171 4.171 4.513 -0.342 25442 6983 1 14 . 1 1 100 100 GLU CA C 100 56.766 56.766 56.049 0.717 25442 6984 1 14 . 1 1 100 100 GLU H H 100 8.055 8.055 8.856 -0.801 25442 6985 1 14 . 1 1 101 101 ALA N N 101 124.629 124.629 121.115 3.514 25442 6986 1 14 . 1 1 101 101 ALA HA H 101 4.283 4.283 4.827 -0.544 25442 6987 1 14 . 1 1 101 101 ALA CA C 101 52.795 52.795 52.199 0.596 25442 6988 1 14 . 1 1 101 101 ALA CB C 101 19.150 19.150 18.593 0.557 25442 6989 1 14 . 1 1 101 101 ALA H H 101 8.040 8.040 8.143 -0.103 25442 6990 1 14 . 1 1 102 102 VAL N N 102 119.031 119.031 111.609 7.422 25442 6991 1 14 . 1 1 102 102 VAL HA H 102 4.039 4.039 4.227 -0.188 25442 6992 1 14 . 1 1 102 102 VAL CA C 102 62.675 62.675 62.215 0.460 25442 6993 1 14 . 1 1 102 102 VAL CB C 102 32.610 32.610 32.904 -0.294 25442 6994 1 14 . 1 1 102 102 VAL H H 102 7.960 7.960 7.700 0.260 25442 6995 1 14 . 1 1 103 103 LYS N N 103 124.562 124.562 119.717 4.845 25442 6996 1 14 . 1 1 103 103 LYS HA H 103 4.258 4.258 4.630 -0.372 25442 6997 1 14 . 1 1 103 103 LYS CA C 103 56.797 56.797 55.236 1.561 25442 6998 1 14 . 1 1 103 103 LYS CB C 103 33.012 33.012 30.704 2.308 25442 6999 1 14 . 1 1 103 103 LYS H H 103 8.207 8.207 8.128 0.079 25442 7000 1 14 . 1 1 104 104 GLU N N 104 121.722 121.722 116.419 5.303 25442 7001 1 14 . 1 1 104 104 GLU HA H 104 4.263 4.263 3.881 0.382 25442 7002 1 14 . 1 1 104 104 GLU CA C 104 57.034 57.034 57.260 -0.225 25442 7003 1 14 . 1 1 104 104 GLU CB C 104 30.351 30.351 28.462 1.889 25442 7004 1 14 . 1 1 104 104 GLU H H 104 8.325 8.325 7.939 0.386 25442 7005 1 14 . 1 1 105 105 GLU N N 105 121.479 121.479 116.410 5.069 25442 7006 1 14 . 1 1 105 105 GLU HA H 105 4.264 4.264 4.109 0.155 25442 7007 1 14 . 1 1 105 105 GLU CA C 105 56.802 56.802 58.352 -1.550 25442 7008 1 14 . 1 1 105 105 GLU CB C 105 30.351 30.351 29.112 1.239 25442 7009 1 14 . 1 1 105 105 GLU H H 105 8.288 8.288 8.294 -0.006 25442 7010 1 14 . 1 1 106 106 LEU N N 106 122.549 122.549 123.034 -0.485 25442 7011 1 14 . 1 1 106 106 LEU HA H 106 4.316 4.316 4.377 -0.061 25442 7012 1 14 . 1 1 106 106 LEU CA C 106 55.545 55.545 54.432 1.113 25442 7013 1 14 . 1 1 106 106 LEU CB C 106 42.538 42.538 41.493 1.045 25442 7014 1 14 . 1 1 106 106 LEU H H 106 8.154 8.154 8.249 -0.095 25442 7015 1 14 . 1 1 107 107 ASP N N 107 120.656 120.656 122.089 -1.433 25442 7016 1 14 . 1 1 107 107 ASP HA H 107 4.587 4.587 4.700 -0.113 25442 7017 1 14 . 1 1 107 107 ASP CA C 107 54.715 54.715 53.718 0.997 25442 7018 1 14 . 1 1 107 107 ASP CB C 107 41.125 41.125 39.649 1.476 25442 7019 1 14 . 1 1 107 107 ASP H H 107 8.273 8.273 8.141 0.132 25442 7020 1 14 . 1 1 108 108 ARG N N 108 120.710 120.710 120.081 0.629 25442 7021 1 14 . 1 1 108 108 ARG HA H 108 4.272 4.272 4.523 -0.251 25442 7022 1 14 . 1 1 108 108 ARG CA C 108 56.778 56.778 55.593 1.185 25442 7023 1 14 . 1 1 108 108 ARG CB C 108 30.835 30.835 31.181 -0.346 25442 7024 1 14 . 1 1 108 108 ARG H H 108 8.041 8.041 7.751 0.290 25442 7025 1 14 . 1 1 109 109 ASP N N 109 120.647 120.647 121.265 -0.618 25442 7026 1 14 . 1 1 109 109 ASP CA C 109 54.862 54.862 54.155 0.707 25442 7027 1 14 . 1 1 109 109 ASP H H 109 8.331 8.331 8.328 0.003 25442 7028 1 14 . 1 1 110 110 ILE N N 110 120.220 120.220 115.083 5.137 25442 7029 1 14 . 1 1 110 110 ILE HA H 110 4.140 4.140 3.863 0.277 25442 7030 1 14 . 1 1 110 110 ILE CA C 110 61.760 61.760 63.765 -2.005 25442 7031 1 14 . 1 1 110 110 ILE CB C 110 38.643 38.643 37.393 1.250 25442 7032 1 14 . 1 1 110 110 ILE H H 110 7.910 7.910 7.885 0.025 25442 7033 1 14 . 1 1 111 111 VAL N N 111 122.698 122.698 117.488 5.210 25442 7034 1 14 . 1 1 111 111 VAL HA H 111 4.095 4.095 3.798 0.297 25442 7035 1 14 . 1 1 111 111 VAL CA C 111 62.982 62.982 64.823 -1.841 25442 7036 1 14 . 1 1 111 111 VAL CB C 111 32.438 32.438 30.787 1.651 25442 7037 1 14 . 1 1 111 111 VAL H H 111 8.018 8.018 7.948 0.070 25442 7038 1 14 . 1 1 112 112 SER HA H 112 4.439 4.439 4.241 0.198 25442 7039 1 14 . 1 1 112 112 SER CA C 112 58.581 58.581 60.746 -2.165 25442 7040 1 14 . 1 1 112 112 SER CB C 112 63.717 63.717 63.445 0.272 25442 7041 1 14 . 1 1 114 114 ASN HA H 114 4.690 4.690 4.568 0.122 25442 7042 1 14 . 1 1 114 114 ASN CA C 114 53.462 53.462 54.313 -0.851 25442 7043 1 14 . 1 1 114 114 ASN CB C 114 39.073 39.073 38.265 0.808 25442 7044 1 14 . 1 1 115 115 ASN HA H 115 4.690 4.690 4.346 0.344 25442 7045 1 14 . 1 1 115 115 ASN CA C 115 53.476 53.476 54.294 -0.817 25442 7046 1 14 . 1 1 115 115 ASN CB C 115 39.073 39.073 37.078 1.995 25442 7047 1 14 . 1 1 116 116 ALA N N 116 123.691 123.691 119.987 3.704 25442 7048 1 14 . 1 1 116 116 ALA HA H 116 4.355 4.355 4.109 0.246 25442 7049 1 14 . 1 1 116 116 ALA CA C 116 52.748 52.748 53.870 -1.123 25442 7050 1 14 . 1 1 116 116 ALA CB C 116 19.559 19.559 19.480 0.080 25442 7051 1 14 . 1 1 116 116 ALA H H 116 8.144 8.144 7.649 0.495 25442 7052 1 14 . 1 1 117 117 GLU N N 117 120.174 120.174 119.036 1.138 25442 7053 1 14 . 1 1 117 117 GLU HA H 117 4.284 4.284 4.379 -0.095 25442 7054 1 14 . 1 1 117 117 GLU CA C 117 56.731 56.731 56.218 0.513 25442 7055 1 14 . 1 1 117 117 GLU CB C 117 29.944 29.944 30.051 -0.107 25442 7056 1 14 . 1 1 117 117 GLU H H 117 8.234 8.234 8.340 -0.106 25442 7057 1 15 . 1 1 2 2 ALA HA H 2 4.335 4.335 4.427 -0.092 25442 7058 1 15 . 1 1 2 2 ALA CA C 2 53.634 53.634 54.367 -0.734 25442 7059 1 15 . 1 1 2 2 ALA CB C 2 19.441 19.441 16.758 2.683 25442 7060 1 15 . 1 1 3 3 MET N N 3 120.791 120.791 118.204 2.587 25442 7061 1 15 . 1 1 3 3 MET HA H 3 4.499 4.499 4.774 -0.275 25442 7062 1 15 . 1 1 3 3 MET CA C 3 55.772 55.772 55.125 0.647 25442 7063 1 15 . 1 1 3 3 MET CB C 3 32.968 32.968 34.372 -1.404 25442 7064 1 15 . 1 1 3 3 MET H H 3 8.636 8.636 7.834 0.802 25442 7065 1 15 . 1 1 4 4 GLY N N 4 109.879 109.879 108.914 0.965 25442 7066 1 15 . 1 1 4 4 GLY CA C 4 45.531 45.531 44.943 0.588 25442 7067 1 15 . 1 1 4 4 GLY H H 4 8.391 8.391 8.350 0.041 25442 7068 1 15 . 1 1 5 5 ASN N N 5 124.309 124.309 118.214 6.095 25442 7069 1 15 . 1 1 5 5 ASN HA H 5 4.661 4.661 4.910 -0.249 25442 7070 1 15 . 1 1 5 5 ASN CA C 5 53.419 53.419 53.596 -0.178 25442 7071 1 15 . 1 1 5 5 ASN CB C 5 39.059 39.059 41.103 -2.045 25442 7072 1 15 . 1 1 5 5 ASN H H 5 7.954 7.954 8.880 -0.926 25442 7073 1 15 . 1 1 7 7 TYR N N 7 120.088 120.088 120.722 -0.634 25442 7074 1 15 . 1 1 7 7 TYR HA H 7 4.463 4.463 4.518 -0.055 25442 7075 1 15 . 1 1 7 7 TYR CA C 7 58.098 58.098 57.939 0.159 25442 7076 1 15 . 1 1 7 7 TYR CB C 7 38.252 38.252 39.142 -0.890 25442 7077 1 15 . 1 1 7 7 TYR H H 7 8.013 8.013 7.861 0.152 25442 7078 1 15 . 1 1 8 8 LYS N N 8 121.766 121.766 123.254 -1.488 25442 7079 1 15 . 1 1 8 8 LYS HA H 8 4.174 4.174 4.494 -0.320 25442 7080 1 15 . 1 1 8 8 LYS CA C 8 56.835 56.835 56.029 0.806 25442 7081 1 15 . 1 1 8 8 LYS CB C 8 32.997 32.997 33.437 -0.440 25442 7082 1 15 . 1 1 8 8 LYS H H 8 7.845 7.845 8.443 -0.598 25442 7083 1 15 . 1 1 9 9 ASP N N 9 119.739 119.739 120.883 -1.144 25442 7084 1 15 . 1 1 9 9 ASP HA H 9 4.477 4.477 4.706 -0.229 25442 7085 1 15 . 1 1 9 9 ASP CA C 9 54.660 54.660 54.734 -0.074 25442 7086 1 15 . 1 1 9 9 ASP CB C 9 41.100 41.100 41.817 -0.717 25442 7087 1 15 . 1 1 9 9 ASP H H 9 8.043 8.043 8.757 -0.714 25442 7088 1 15 . 1 1 10 10 ASN N N 10 119.260 119.260 118.973 0.287 25442 7089 1 15 . 1 1 10 10 ASN HA H 10 4.875 4.875 4.792 0.083 25442 7090 1 15 . 1 1 10 10 ASN CA C 10 53.255 53.255 53.451 -0.196 25442 7091 1 15 . 1 1 10 10 ASN CB C 10 39.105 39.105 39.649 -0.544 25442 7092 1 15 . 1 1 10 10 ASN H H 10 8.174 8.174 8.033 0.141 25442 7093 1 15 . 1 1 11 11 ALA N N 11 122.869 122.869 125.915 -3.046 25442 7094 1 15 . 1 1 11 11 ALA HA H 11 4.544 4.544 4.594 -0.050 25442 7095 1 15 . 1 1 11 11 ALA CA C 11 52.866 52.866 51.612 1.254 25442 7096 1 15 . 1 1 11 11 ALA H H 11 8.299 8.299 8.548 -0.249 25442 7097 1 15 . 1 1 12 12 TYR N N 12 117.351 117.351 120.136 -2.785 25442 7098 1 15 . 1 1 12 12 TYR HA H 12 5.220 5.220 5.667 -0.447 25442 7099 1 15 . 1 1 12 12 TYR CA C 12 57.621 57.621 56.410 1.211 25442 7100 1 15 . 1 1 12 12 TYR CB C 12 41.631 41.631 43.542 -1.911 25442 7101 1 15 . 1 1 12 12 TYR H H 12 8.340 8.340 8.140 0.200 25442 7102 1 15 . 1 1 13 13 ILE N N 13 112.184 112.184 115.108 -2.924 25442 7103 1 15 . 1 1 13 13 ILE HA H 13 5.052 5.052 5.073 -0.021 25442 7104 1 15 . 1 1 13 13 ILE CA C 13 59.995 59.995 59.503 0.492 25442 7105 1 15 . 1 1 13 13 ILE CB C 13 40.418 40.418 41.948 -1.530 25442 7106 1 15 . 1 1 13 13 ILE H H 13 9.216 9.216 8.519 0.697 25442 7107 1 15 . 1 1 14 14 TYR N N 14 123.504 123.504 126.403 -2.899 25442 7108 1 15 . 1 1 14 14 TYR HA H 14 4.690 4.690 5.006 -0.316 25442 7109 1 15 . 1 1 14 14 TYR CA C 14 56.688 56.688 56.874 -0.186 25442 7110 1 15 . 1 1 14 14 TYR CB C 14 40.564 40.564 40.198 0.366 25442 7111 1 15 . 1 1 14 14 TYR H H 14 9.086 9.086 9.183 -0.097 25442 7112 1 15 . 1 1 15 15 ILE N N 15 127.611 127.611 129.036 -1.425 25442 7113 1 15 . 1 1 15 15 ILE HA H 15 4.288 4.288 4.965 -0.677 25442 7114 1 15 . 1 1 15 15 ILE CA C 15 59.654 59.654 59.938 -0.284 25442 7115 1 15 . 1 1 15 15 ILE CB C 15 40.260 40.260 39.105 1.155 25442 7116 1 15 . 1 1 15 15 ILE H H 15 8.448 8.448 7.246 1.202 25442 7117 1 15 . 1 1 16 16 GLY N N 16 112.660 112.660 111.755 0.905 25442 7118 1 15 . 1 1 16 16 GLY CA C 16 43.240 43.240 43.190 0.050 25442 7119 1 15 . 1 1 16 16 GLY H H 16 9.438 9.438 8.833 0.605 25442 7120 1 15 . 1 1 17 17 ASN N N 17 114.980 114.980 115.150 -0.170 25442 7121 1 15 . 1 1 17 17 ASN HA H 17 4.439 4.439 4.384 0.055 25442 7122 1 15 . 1 1 17 17 ASN CA C 17 53.251 53.251 53.977 -0.726 25442 7123 1 15 . 1 1 17 17 ASN CB C 17 38.259 38.259 37.023 1.236 25442 7124 1 15 . 1 1 17 17 ASN H H 17 8.497 8.497 8.874 -0.377 25442 7125 1 15 . 1 1 18 18 LEU N N 18 115.182 115.182 115.645 -0.463 25442 7126 1 15 . 1 1 18 18 LEU HA H 18 4.068 4.068 4.591 -0.523 25442 7127 1 15 . 1 1 18 18 LEU CA C 18 54.073 54.073 53.729 0.344 25442 7128 1 15 . 1 1 18 18 LEU CB C 18 42.912 42.912 42.657 0.254 25442 7129 1 15 . 1 1 18 18 LEU H H 18 7.859 7.859 7.817 0.042 25442 7130 1 15 . 1 1 19 19 ASN N N 19 122.392 122.392 118.795 3.597 25442 7131 1 15 . 1 1 19 19 ASN HA H 19 4.464 4.464 4.703 -0.239 25442 7132 1 15 . 1 1 19 19 ASN CA C 19 54.087 54.087 52.566 1.521 25442 7133 1 15 . 1 1 19 19 ASN CB C 19 38.703 38.703 39.382 -0.679 25442 7134 1 15 . 1 1 19 19 ASN H H 19 8.727 8.727 8.530 0.197 25442 7135 1 15 . 1 1 20 20 ARG N N 20 126.283 126.283 122.806 3.477 25442 7136 1 15 . 1 1 20 20 ARG HA H 20 3.937 3.937 4.094 -0.157 25442 7137 1 15 . 1 1 20 20 ARG CA C 20 58.719 58.719 58.705 0.014 25442 7138 1 15 . 1 1 20 20 ARG CB C 20 29.719 29.719 30.128 -0.409 25442 7139 1 15 . 1 1 20 20 ARG H H 20 8.940 8.940 8.583 0.357 25442 7140 1 15 . 1 1 21 21 GLU N N 21 117.166 117.166 118.938 -1.772 25442 7141 1 15 . 1 1 21 21 GLU HA H 21 4.321 4.321 4.105 0.216 25442 7142 1 15 . 1 1 21 21 GLU CA C 21 56.778 56.778 57.226 -0.448 25442 7143 1 15 . 1 1 21 21 GLU H H 21 8.867 8.867 7.861 1.006 25442 7144 1 15 . 1 1 22 22 LEU N N 22 119.643 119.643 120.529 -0.886 25442 7145 1 15 . 1 1 22 22 LEU HA H 22 4.540 4.540 4.243 0.297 25442 7146 1 15 . 1 1 22 22 LEU CA C 22 55.505 55.505 55.562 -0.057 25442 7147 1 15 . 1 1 22 22 LEU CB C 22 42.251 42.251 41.649 0.602 25442 7148 1 15 . 1 1 22 22 LEU H H 22 7.324 7.324 7.632 -0.308 25442 7149 1 15 . 1 1 23 23 THR N N 23 114.564 114.564 117.190 -2.626 25442 7150 1 15 . 1 1 23 23 THR HA H 23 4.483 4.483 4.533 -0.050 25442 7151 1 15 . 1 1 23 23 THR CA C 23 60.155 60.155 60.011 0.144 25442 7152 1 15 . 1 1 23 23 THR CB C 23 73.000 73.000 71.188 1.812 25442 7153 1 15 . 1 1 23 23 THR H H 23 9.483 9.483 8.061 1.422 25442 7154 1 15 . 1 1 24 24 GLU N N 24 120.458 120.458 120.522 -0.064 25442 7155 1 15 . 1 1 24 24 GLU HA H 24 3.604 3.604 3.982 -0.378 25442 7156 1 15 . 1 1 24 24 GLU CA C 24 62.158 62.158 60.330 1.828 25442 7157 1 15 . 1 1 24 24 GLU H H 24 10.410 10.410 8.896 1.514 25442 7158 1 15 . 1 1 25 25 GLY N N 25 105.261 105.261 106.562 -1.301 25442 7159 1 15 . 1 1 25 25 GLY CA C 25 47.219 47.219 46.987 0.232 25442 7160 1 15 . 1 1 25 25 GLY H H 25 8.402 8.402 8.334 0.068 25442 7161 1 15 . 1 1 26 26 ASP N N 26 122.820 122.820 123.157 -0.337 25442 7162 1 15 . 1 1 26 26 ASP HA H 26 4.515 4.515 4.425 0.090 25442 7163 1 15 . 1 1 26 26 ASP CA C 26 58.005 58.005 57.311 0.694 25442 7164 1 15 . 1 1 26 26 ASP CB C 26 41.261 41.261 40.478 0.783 25442 7165 1 15 . 1 1 26 26 ASP H H 26 7.539 7.539 7.588 -0.049 25442 7166 1 15 . 1 1 27 27 ILE N N 27 118.686 118.686 120.446 -1.760 25442 7167 1 15 . 1 1 27 27 ILE HA H 27 3.609 3.609 3.705 -0.096 25442 7168 1 15 . 1 1 27 27 ILE CA C 27 65.348 65.348 65.215 0.133 25442 7169 1 15 . 1 1 27 27 ILE CB C 27 37.789 37.789 38.055 -0.266 25442 7170 1 15 . 1 1 27 27 ILE H H 27 7.832 7.832 7.924 -0.092 25442 7171 1 15 . 1 1 28 28 LEU N N 28 119.737 119.737 120.605 -0.868 25442 7172 1 15 . 1 1 28 28 LEU HA H 28 3.790 3.790 3.938 -0.148 25442 7173 1 15 . 1 1 28 28 LEU CA C 28 59.040 59.040 58.532 0.508 25442 7174 1 15 . 1 1 28 28 LEU CB C 28 42.520 42.520 41.709 0.811 25442 7175 1 15 . 1 1 28 28 LEU H H 28 8.731 8.731 8.076 0.655 25442 7176 1 15 . 1 1 29 29 THR N N 29 119.509 119.509 115.148 4.361 25442 7177 1 15 . 1 1 29 29 THR HA H 29 4.045 4.045 3.964 0.081 25442 7178 1 15 . 1 1 29 29 THR CA C 29 67.196 67.196 66.621 0.575 25442 7179 1 15 . 1 1 29 29 THR CB C 29 69.194 69.194 68.310 0.884 25442 7180 1 15 . 1 1 29 29 THR H H 29 8.251 8.251 7.881 0.370 25442 7181 1 15 . 1 1 30 30 VAL N N 30 117.974 117.974 121.093 -3.119 25442 7182 1 15 . 1 1 30 30 VAL HA H 30 3.869 3.869 3.676 0.193 25442 7183 1 15 . 1 1 30 30 VAL CA C 30 65.727 65.727 65.985 -0.258 25442 7184 1 15 . 1 1 30 30 VAL CB C 30 32.912 32.912 31.425 1.487 25442 7185 1 15 . 1 1 30 30 VAL H H 30 7.627 7.627 7.590 0.037 25442 7186 1 15 . 1 1 31 31 PHE N N 31 113.937 113.937 115.470 -1.533 25442 7187 1 15 . 1 1 31 31 PHE HA H 31 3.908 3.908 4.807 -0.899 25442 7188 1 15 . 1 1 31 31 PHE CA C 31 62.044 62.044 59.013 3.031 25442 7189 1 15 . 1 1 31 31 PHE CB C 31 37.217 37.217 39.048 -1.831 25442 7190 1 15 . 1 1 31 31 PHE H H 31 8.903 8.903 7.837 1.066 25442 7191 1 15 . 1 1 32 32 SER N N 32 118.854 118.854 117.235 1.619 25442 7192 1 15 . 1 1 32 32 SER HA H 32 5.405 5.405 4.018 1.387 25442 7193 1 15 . 1 1 32 32 SER CA C 32 61.282 61.282 62.508 -1.226 25442 7194 1 15 . 1 1 32 32 SER CB C 32 64.055 64.055 63.024 1.031 25442 7195 1 15 . 1 1 32 32 SER H H 32 8.024 8.024 8.597 -0.573 25442 7196 1 15 . 1 1 33 33 GLU N N 33 121.203 121.203 120.006 1.197 25442 7197 1 15 . 1 1 33 33 GLU HA H 33 2.246 2.246 3.992 -1.746 25442 7198 1 15 . 1 1 33 33 GLU CA C 33 59.596 59.596 58.056 1.540 25442 7199 1 15 . 1 1 33 33 GLU H H 33 6.935 6.935 8.026 -1.091 25442 7200 1 15 . 1 1 34 34 TYR N N 34 108.039 108.039 118.874 -10.835 25442 7201 1 15 . 1 1 34 34 TYR HA H 34 4.953 4.953 4.655 0.298 25442 7202 1 15 . 1 1 34 34 TYR CA C 34 57.226 57.226 56.951 0.275 25442 7203 1 15 . 1 1 34 34 TYR CB C 34 38.821 38.821 38.034 0.787 25442 7204 1 15 . 1 1 34 34 TYR H H 34 6.254 6.254 7.457 -1.203 25442 7205 1 15 . 1 1 35 35 GLY N N 35 103.601 103.601 107.820 -4.219 25442 7206 1 15 . 1 1 35 35 GLY CA C 35 44.594 44.594 44.877 -0.283 25442 7207 1 15 . 1 1 35 35 GLY H H 35 7.247 7.247 7.493 -0.246 25442 7208 1 15 . 1 1 36 36 VAL N N 36 120.482 120.482 122.690 -2.208 25442 7209 1 15 . 1 1 36 36 VAL HA H 36 4.537 4.537 4.038 0.499 25442 7210 1 15 . 1 1 36 36 VAL CA C 36 59.942 59.942 60.961 -1.019 25442 7211 1 15 . 1 1 36 36 VAL CB C 36 33.989 33.989 33.340 0.649 25442 7212 1 15 . 1 1 36 36 VAL H H 36 8.549 8.549 7.602 0.947 25442 7213 1 15 . 1 1 37 37 PRO HA H 37 4.543 4.543 4.197 0.346 25442 7214 1 15 . 1 1 37 37 PRO CA C 37 62.043 62.043 62.166 -0.123 25442 7215 1 15 . 1 1 37 37 PRO CB C 37 31.531 31.531 32.250 -0.719 25442 7216 1 15 . 1 1 38 38 VAL N N 38 118.566 118.566 114.214 4.352 25442 7217 1 15 . 1 1 38 38 VAL HA H 38 4.439 4.439 4.213 0.226 25442 7218 1 15 . 1 1 38 38 VAL CA C 38 61.064 61.064 62.198 -1.134 25442 7219 1 15 . 1 1 38 38 VAL CB C 38 32.842 32.842 32.577 0.265 25442 7220 1 15 . 1 1 38 38 VAL H H 38 9.099 9.099 8.188 0.911 25442 7221 1 15 . 1 1 39 39 ASP N N 39 118.912 118.912 119.013 -0.101 25442 7222 1 15 . 1 1 39 39 ASP HA H 39 4.920 4.920 4.792 0.128 25442 7223 1 15 . 1 1 39 39 ASP CA C 39 54.860 54.860 53.896 0.964 25442 7224 1 15 . 1 1 39 39 ASP CB C 39 44.441 44.441 44.265 0.176 25442 7225 1 15 . 1 1 39 39 ASP H H 39 7.300 7.300 7.488 -0.188 25442 7226 1 15 . 1 1 40 40 VAL N N 40 123.365 123.365 121.582 1.783 25442 7227 1 15 . 1 1 40 40 VAL HA H 40 4.759 4.759 4.441 0.318 25442 7228 1 15 . 1 1 40 40 VAL CA C 40 61.259 61.259 61.102 0.157 25442 7229 1 15 . 1 1 40 40 VAL CB C 40 34.464 34.464 34.045 0.418 25442 7230 1 15 . 1 1 40 40 VAL H H 40 8.052 8.052 8.670 -0.618 25442 7231 1 15 . 1 1 41 41 ILE N N 41 127.951 127.951 128.179 -0.228 25442 7232 1 15 . 1 1 41 41 ILE HA H 41 4.361 4.361 4.303 0.058 25442 7233 1 15 . 1 1 41 41 ILE CA C 41 60.204 60.204 60.900 -0.696 25442 7234 1 15 . 1 1 41 41 ILE CB C 41 41.220 41.220 38.532 2.688 25442 7235 1 15 . 1 1 41 41 ILE H H 41 9.031 9.031 8.572 0.459 25442 7236 1 15 . 1 1 42 42 LEU N N 42 130.034 130.034 130.044 -0.010 25442 7237 1 15 . 1 1 42 42 LEU HA H 42 4.415 4.415 4.521 -0.106 25442 7238 1 15 . 1 1 42 42 LEU CA C 42 53.832 53.832 53.695 0.137 25442 7239 1 15 . 1 1 42 42 LEU CB C 42 44.353 44.353 42.069 2.284 25442 7240 1 15 . 1 1 42 42 LEU H H 42 8.935 8.935 8.489 0.446 25442 7241 1 15 . 1 1 43 43 SER N N 43 121.977 121.977 119.961 2.016 25442 7242 1 15 . 1 1 43 43 SER HA H 43 4.092 4.092 4.605 -0.513 25442 7243 1 15 . 1 1 43 43 SER CA C 43 59.298 59.298 58.042 1.256 25442 7244 1 15 . 1 1 43 43 SER CB C 43 62.879 62.879 64.209 -1.330 25442 7245 1 15 . 1 1 43 43 SER H H 43 8.088 8.088 8.301 -0.213 25442 7246 1 15 . 1 1 44 44 ARG N N 44 125.852 125.852 120.435 5.417 25442 7247 1 15 . 1 1 44 44 ARG HA H 44 4.906 4.906 4.511 0.395 25442 7248 1 15 . 1 1 44 44 ARG CA C 44 54.363 54.363 55.246 -0.883 25442 7249 1 15 . 1 1 44 44 ARG CB C 44 34.095 34.095 32.759 1.336 25442 7250 1 15 . 1 1 44 44 ARG H H 44 8.081 8.081 8.350 -0.269 25442 7251 1 15 . 1 1 45 45 ASP N N 45 123.150 123.150 122.549 0.601 25442 7252 1 15 . 1 1 45 45 ASP HA H 45 4.425 4.425 4.817 -0.392 25442 7253 1 15 . 1 1 45 45 ASP CA C 45 54.728 54.728 53.745 0.983 25442 7254 1 15 . 1 1 45 45 ASP CB C 45 43.318 43.318 42.085 1.233 25442 7255 1 15 . 1 1 45 45 ASP H H 45 8.594 8.594 8.662 -0.068 25442 7256 1 15 . 1 1 46 46 GLU N N 46 127.786 127.786 124.064 3.722 25442 7257 1 15 . 1 1 46 46 GLU HA H 46 4.048 4.048 4.162 -0.114 25442 7258 1 15 . 1 1 46 46 GLU CA C 46 59.018 59.018 58.455 0.563 25442 7259 1 15 . 1 1 46 46 GLU CB C 46 29.870 29.870 29.419 0.452 25442 7260 1 15 . 1 1 46 46 GLU H H 46 9.250 9.250 8.929 0.321 25442 7261 1 15 . 1 1 47 47 ASN N N 47 116.105 116.105 116.893 -0.788 25442 7262 1 15 . 1 1 47 47 ASN HA H 47 4.825 4.825 4.564 0.261 25442 7263 1 15 . 1 1 47 47 ASN CA C 47 55.321 55.321 55.194 0.127 25442 7264 1 15 . 1 1 47 47 ASN CB C 47 39.927 39.927 38.485 1.442 25442 7265 1 15 . 1 1 47 47 ASN H H 47 8.857 8.857 8.598 0.259 25442 7266 1 15 . 1 1 48 48 THR N N 48 108.395 108.395 109.860 -1.465 25442 7267 1 15 . 1 1 48 48 THR HA H 48 4.461 4.461 4.553 -0.092 25442 7268 1 15 . 1 1 48 48 THR CA C 48 61.883 61.883 61.973 -0.090 25442 7269 1 15 . 1 1 48 48 THR CB C 48 71.194 71.194 70.298 0.896 25442 7270 1 15 . 1 1 48 48 THR H H 48 8.539 8.539 7.626 0.913 25442 7271 1 15 . 1 1 49 49 GLY N N 49 110.910 110.910 110.855 0.055 25442 7272 1 15 . 1 1 49 49 GLY CA C 49 45.706 45.706 45.428 0.279 25442 7273 1 15 . 1 1 49 49 GLY H H 49 8.293 8.293 8.444 -0.151 25442 7274 1 15 . 1 1 50 50 GLU N N 50 120.328 120.328 118.874 1.454 25442 7275 1 15 . 1 1 50 50 GLU HA H 50 4.162 4.162 4.540 -0.378 25442 7276 1 15 . 1 1 50 50 GLU CA C 50 56.540 56.540 56.008 0.532 25442 7277 1 15 . 1 1 50 50 GLU CB C 50 30.948 30.948 32.201 -1.253 25442 7278 1 15 . 1 1 50 50 GLU H H 50 7.854 7.854 7.686 0.168 25442 7279 1 15 . 1 1 51 51 SER N N 51 117.235 117.235 121.531 -4.296 25442 7280 1 15 . 1 1 51 51 SER HA H 51 4.391 4.391 4.743 -0.352 25442 7281 1 15 . 1 1 51 51 SER CA C 51 58.361 58.361 57.965 0.396 25442 7282 1 15 . 1 1 51 51 SER CB C 51 64.438 64.438 63.429 1.009 25442 7283 1 15 . 1 1 51 51 SER H H 51 8.950 8.950 8.731 0.219 25442 7284 1 15 . 1 1 52 52 GLN N N 52 122.996 122.996 126.698 -3.702 25442 7285 1 15 . 1 1 52 52 GLN HA H 52 4.516 4.516 4.044 0.472 25442 7286 1 15 . 1 1 52 52 GLN CA C 52 55.406 55.406 57.174 -1.768 25442 7287 1 15 . 1 1 52 52 GLN CB C 52 29.624 29.624 28.531 1.093 25442 7288 1 15 . 1 1 52 52 GLN H H 52 8.929 8.929 9.219 -0.290 25442 7289 1 15 . 1 1 53 53 GLY N N 53 106.139 106.139 108.368 -2.229 25442 7290 1 15 . 1 1 53 53 GLY CA C 53 46.434 46.434 45.291 1.143 25442 7291 1 15 . 1 1 53 53 GLY H H 53 8.876 8.876 8.340 0.536 25442 7292 1 15 . 1 1 54 54 PHE N N 54 112.294 112.294 117.406 -5.112 25442 7293 1 15 . 1 1 54 54 PHE HA H 54 5.436 5.436 4.801 0.635 25442 7294 1 15 . 1 1 54 54 PHE CA C 54 55.464 55.464 55.194 0.270 25442 7295 1 15 . 1 1 54 54 PHE CB C 54 41.207 41.207 39.528 1.679 25442 7296 1 15 . 1 1 54 54 PHE H H 54 6.938 6.938 7.330 -0.392 25442 7297 1 15 . 1 1 55 55 ALA N N 55 121.935 121.935 121.846 0.089 25442 7298 1 15 . 1 1 55 55 ALA HA H 55 5.051 5.051 4.132 0.919 25442 7299 1 15 . 1 1 55 55 ALA CA C 55 49.517 49.517 51.376 -1.859 25442 7300 1 15 . 1 1 55 55 ALA CB C 55 24.966 24.966 21.946 3.020 25442 7301 1 15 . 1 1 55 55 ALA H H 55 9.098 9.098 7.634 1.464 25442 7302 1 15 . 1 1 56 56 TYR N N 56 114.799 114.799 118.418 -3.619 25442 7303 1 15 . 1 1 56 56 TYR HA H 56 5.652 5.652 5.149 0.503 25442 7304 1 15 . 1 1 56 56 TYR CA C 56 56.128 56.128 56.611 -0.483 25442 7305 1 15 . 1 1 56 56 TYR CB C 56 42.405 42.405 40.675 1.730 25442 7306 1 15 . 1 1 56 56 TYR H H 56 8.572 8.572 8.151 0.421 25442 7307 1 15 . 1 1 57 57 LEU N N 57 123.129 123.129 123.736 -0.607 25442 7308 1 15 . 1 1 57 57 LEU HA H 57 5.100 5.100 4.715 0.385 25442 7309 1 15 . 1 1 57 57 LEU CA C 57 54.552 54.552 54.169 0.383 25442 7310 1 15 . 1 1 57 57 LEU H H 57 8.600 8.600 8.435 0.165 25442 7311 1 15 . 1 1 58 58 LYS N N 58 126.556 126.556 126.110 0.446 25442 7312 1 15 . 1 1 58 58 LYS HA H 58 4.553 4.553 3.619 0.934 25442 7313 1 15 . 1 1 58 58 LYS CA C 58 54.518 54.518 54.968 -0.450 25442 7314 1 15 . 1 1 58 58 LYS CB C 58 36.254 36.254 32.940 3.314 25442 7315 1 15 . 1 1 58 58 LYS H H 58 8.389 8.389 7.945 0.444 25442 7316 1 15 . 1 1 59 59 TYR N N 59 126.761 126.761 127.060 -0.299 25442 7317 1 15 . 1 1 59 59 TYR HA H 59 5.061 5.061 4.422 0.639 25442 7318 1 15 . 1 1 59 59 TYR CA C 59 58.271 58.271 58.516 -0.245 25442 7319 1 15 . 1 1 59 59 TYR H H 59 9.035 9.035 7.818 1.217 25442 7320 1 15 . 1 1 60 60 GLU N N 60 120.097 120.097 125.145 -5.048 25442 7321 1 15 . 1 1 60 60 GLU HA H 60 3.890 3.890 4.015 -0.125 25442 7322 1 15 . 1 1 60 60 GLU CA C 60 59.244 59.244 58.221 1.023 25442 7323 1 15 . 1 1 60 60 GLU CB C 60 31.145 31.145 30.117 1.028 25442 7324 1 15 . 1 1 60 60 GLU H H 60 8.796 8.796 8.536 0.260 25442 7325 1 15 . 1 1 61 61 ASP N N 61 117.697 117.697 118.400 -0.703 25442 7326 1 15 . 1 1 61 61 ASP HA H 61 4.842 4.842 4.866 -0.024 25442 7327 1 15 . 1 1 61 61 ASP CA C 61 51.550 51.550 53.428 -1.877 25442 7328 1 15 . 1 1 61 61 ASP CB C 61 43.258 43.258 42.387 0.871 25442 7329 1 15 . 1 1 61 61 ASP H H 61 8.006 8.006 8.086 -0.080 25442 7330 1 15 . 1 1 62 62 GLN N N 62 126.321 126.321 123.353 2.968 25442 7331 1 15 . 1 1 62 62 GLN HA H 62 4.223 4.223 3.997 0.226 25442 7332 1 15 . 1 1 62 62 GLN CA C 62 58.637 58.637 58.524 0.113 25442 7333 1 15 . 1 1 62 62 GLN CB C 62 27.994 27.994 28.713 -0.719 25442 7334 1 15 . 1 1 62 62 GLN H H 62 9.053 9.053 8.784 0.269 25442 7335 1 15 . 1 1 63 63 ARG N N 63 121.086 121.086 117.663 3.423 25442 7336 1 15 . 1 1 63 63 ARG HA H 63 3.654 3.654 4.152 -0.498 25442 7337 1 15 . 1 1 63 63 ARG CA C 63 58.971 58.971 58.462 0.509 25442 7338 1 15 . 1 1 63 63 ARG H H 63 8.960 8.960 8.172 0.788 25442 7339 1 15 . 1 1 64 64 SER N N 64 114.891 114.891 115.966 -1.075 25442 7340 1 15 . 1 1 64 64 SER HA H 64 3.704 3.704 4.376 -0.672 25442 7341 1 15 . 1 1 64 64 SER CA C 64 63.589 63.589 61.279 2.310 25442 7342 1 15 . 1 1 64 64 SER H H 64 8.143 8.143 8.347 -0.204 25442 7343 1 15 . 1 1 65 65 THR N N 65 111.019 111.019 116.579 -5.560 25442 7344 1 15 . 1 1 65 65 THR HA H 65 3.765 3.765 3.231 0.534 25442 7345 1 15 . 1 1 65 65 THR CA C 65 66.198 66.198 65.183 1.015 25442 7346 1 15 . 1 1 65 65 THR CB C 65 68.461 68.461 67.686 0.775 25442 7347 1 15 . 1 1 65 65 THR H H 65 7.633 7.633 7.455 0.178 25442 7348 1 15 . 1 1 66 66 ILE N N 66 123.242 123.242 121.737 1.505 25442 7349 1 15 . 1 1 66 66 ILE HA H 66 3.673 3.673 3.729 -0.056 25442 7350 1 15 . 1 1 66 66 ILE CA C 66 64.506 64.506 64.957 -0.451 25442 7351 1 15 . 1 1 66 66 ILE CB C 66 38.668 38.668 37.638 1.030 25442 7352 1 15 . 1 1 66 66 ILE H H 66 6.648 6.648 7.305 -0.657 25442 7353 1 15 . 1 1 67 67 LEU N N 67 113.375 113.375 119.761 -6.386 25442 7354 1 15 . 1 1 67 67 LEU HA H 67 3.627 3.627 3.895 -0.268 25442 7355 1 15 . 1 1 67 67 LEU CA C 67 57.678 57.678 58.115 -0.437 25442 7356 1 15 . 1 1 67 67 LEU CB C 67 41.866 41.866 41.412 0.454 25442 7357 1 15 . 1 1 67 67 LEU H H 67 6.899 6.899 7.989 -1.090 25442 7358 1 15 . 1 1 68 68 ALA N N 68 120.327 120.327 120.967 -0.640 25442 7359 1 15 . 1 1 68 68 ALA HA H 68 3.406 3.406 3.684 -0.278 25442 7360 1 15 . 1 1 68 68 ALA CA C 68 55.643 55.643 54.881 0.762 25442 7361 1 15 . 1 1 68 68 ALA CB C 68 19.395 19.395 18.185 1.210 25442 7362 1 15 . 1 1 68 68 ALA H H 68 8.201 8.201 7.404 0.797 25442 7363 1 15 . 1 1 69 69 VAL N N 69 118.977 118.977 119.864 -0.887 25442 7364 1 15 . 1 1 69 69 VAL HA H 69 3.221 3.221 3.405 -0.184 25442 7365 1 15 . 1 1 69 69 VAL CA C 69 67.039 67.039 67.284 -0.245 25442 7366 1 15 . 1 1 69 69 VAL CB C 69 31.896 31.896 31.544 0.352 25442 7367 1 15 . 1 1 69 69 VAL H H 69 8.235 8.235 8.165 0.070 25442 7368 1 15 . 1 1 70 70 ASP N N 70 116.894 116.894 117.282 -0.388 25442 7369 1 15 . 1 1 70 70 ASP HA H 70 3.941 3.941 4.365 -0.424 25442 7370 1 15 . 1 1 70 70 ASP CA C 70 57.576 57.576 56.737 0.839 25442 7371 1 15 . 1 1 70 70 ASP CB C 70 39.037 39.037 40.278 -1.241 25442 7372 1 15 . 1 1 70 70 ASP H H 70 8.152 8.152 7.905 0.247 25442 7373 1 15 . 1 1 71 71 ASN N N 71 110.936 110.936 116.513 -5.577 25442 7374 1 15 . 1 1 71 71 ASN HA H 71 5.009 5.009 4.479 0.530 25442 7375 1 15 . 1 1 71 71 ASN CA C 71 55.710 55.710 54.756 0.954 25442 7376 1 15 . 1 1 71 71 ASN CB C 71 42.091 42.091 38.370 3.721 25442 7377 1 15 . 1 1 71 71 ASN H H 71 7.562 7.562 7.968 -0.406 25442 7378 1 15 . 1 1 72 72 LEU N N 72 116.460 116.460 116.681 -0.221 25442 7379 1 15 . 1 1 72 72 LEU HA H 72 4.686 4.686 4.345 0.341 25442 7380 1 15 . 1 1 72 72 LEU CA C 72 54.411 54.411 54.937 -0.526 25442 7381 1 15 . 1 1 72 72 LEU CB C 72 42.477 42.477 42.109 0.368 25442 7382 1 15 . 1 1 72 72 LEU H H 72 8.406 8.406 8.292 0.114 25442 7383 1 15 . 1 1 73 73 ASN N N 73 118.618 118.618 119.014 -0.396 25442 7384 1 15 . 1 1 73 73 ASN HA H 73 4.419 4.419 4.471 -0.052 25442 7385 1 15 . 1 1 73 73 ASN CA C 73 56.716 56.716 55.438 1.278 25442 7386 1 15 . 1 1 73 73 ASN CB C 73 39.452 39.452 38.594 0.857 25442 7387 1 15 . 1 1 73 73 ASN H H 73 6.956 6.956 8.367 -1.411 25442 7388 1 15 . 1 1 74 74 GLY N N 74 116.095 116.095 114.274 1.821 25442 7389 1 15 . 1 1 74 74 GLY CA C 74 45.912 45.912 45.234 0.678 25442 7390 1 15 . 1 1 74 74 GLY H H 74 9.379 9.379 8.316 1.063 25442 7391 1 15 . 1 1 75 75 PHE N N 75 123.354 123.354 123.970 -0.616 25442 7392 1 15 . 1 1 75 75 PHE HA H 75 4.311 4.311 4.463 -0.152 25442 7393 1 15 . 1 1 75 75 PHE CA C 75 58.979 58.979 57.315 1.664 25442 7394 1 15 . 1 1 75 75 PHE CB C 75 41.709 41.709 39.906 1.803 25442 7395 1 15 . 1 1 75 75 PHE H H 75 8.211 8.211 7.845 0.366 25442 7396 1 15 . 1 1 76 76 LYS N N 76 127.267 127.267 127.259 0.008 25442 7397 1 15 . 1 1 76 76 LYS HA H 76 4.598 4.598 4.124 0.474 25442 7398 1 15 . 1 1 76 76 LYS CA C 76 56.529 56.529 55.524 1.005 25442 7399 1 15 . 1 1 76 76 LYS CB C 76 33.073 33.073 32.280 0.793 25442 7400 1 15 . 1 1 76 76 LYS H H 76 7.648 7.648 8.112 -0.464 25442 7401 1 15 . 1 1 77 77 ILE N N 77 121.576 121.576 123.730 -2.154 25442 7402 1 15 . 1 1 77 77 ILE HA H 77 4.406 4.406 4.051 0.355 25442 7403 1 15 . 1 1 77 77 ILE CA C 77 60.214 60.214 60.575 -0.360 25442 7404 1 15 . 1 1 77 77 ILE CB C 77 40.048 40.048 40.447 -0.399 25442 7405 1 15 . 1 1 77 77 ILE H H 77 8.100 8.100 8.060 0.040 25442 7406 1 15 . 1 1 78 78 GLY CA C 78 47.118 47.118 45.521 1.597 25442 7407 1 15 . 1 1 79 79 GLY CA C 79 45.171 45.171 44.788 0.383 25442 7408 1 15 . 1 1 80 80 ARG N N 80 119.377 119.377 121.640 -2.263 25442 7409 1 15 . 1 1 80 80 ARG HA H 80 4.650 4.650 4.725 -0.075 25442 7410 1 15 . 1 1 80 80 ARG CA C 80 54.849 54.849 53.740 1.109 25442 7411 1 15 . 1 1 80 80 ARG CB C 80 33.411 33.411 32.673 0.737 25442 7412 1 15 . 1 1 80 80 ARG H H 80 7.379 7.379 7.552 -0.173 25442 7413 1 15 . 1 1 81 81 ALA N N 81 126.782 126.782 126.454 0.328 25442 7414 1 15 . 1 1 81 81 ALA HA H 81 4.137 4.137 4.575 -0.438 25442 7415 1 15 . 1 1 81 81 ALA CA C 81 51.454 51.454 51.596 -0.142 25442 7416 1 15 . 1 1 81 81 ALA CB C 81 19.131 19.131 19.666 -0.534 25442 7417 1 15 . 1 1 81 81 ALA H H 81 8.734 8.734 8.354 0.380 25442 7418 1 15 . 1 1 82 82 LEU N N 82 125.769 125.769 119.902 5.867 25442 7419 1 15 . 1 1 82 82 LEU HA H 82 4.390 4.390 5.098 -0.708 25442 7420 1 15 . 1 1 82 82 LEU CA C 82 56.196 56.196 53.762 2.434 25442 7421 1 15 . 1 1 82 82 LEU CB C 82 43.362 43.362 43.308 0.054 25442 7422 1 15 . 1 1 82 82 LEU H H 82 8.736 8.736 7.848 0.888 25442 7423 1 15 . 1 1 83 83 LYS N N 83 123.851 123.851 120.139 3.712 25442 7424 1 15 . 1 1 83 83 LYS HA H 83 5.005 5.005 4.752 0.253 25442 7425 1 15 . 1 1 83 83 LYS CA C 83 54.790 54.790 55.627 -0.837 25442 7426 1 15 . 1 1 83 83 LYS CB C 83 34.212 34.212 34.780 -0.568 25442 7427 1 15 . 1 1 83 83 LYS H H 83 7.838 7.838 8.469 -0.631 25442 7428 1 15 . 1 1 84 84 ILE N N 84 125.629 125.629 127.206 -1.577 25442 7429 1 15 . 1 1 84 84 ILE HA H 84 5.576 5.576 5.148 0.428 25442 7430 1 15 . 1 1 84 84 ILE CA C 84 58.513 58.513 60.096 -1.583 25442 7431 1 15 . 1 1 84 84 ILE CB C 84 40.310 40.310 40.178 0.132 25442 7432 1 15 . 1 1 84 84 ILE H H 84 8.727 8.727 8.665 0.062 25442 7433 1 15 . 1 1 85 85 ASP N N 85 124.427 124.427 126.681 -2.254 25442 7434 1 15 . 1 1 85 85 ASP HA H 85 5.094 5.094 5.014 0.080 25442 7435 1 15 . 1 1 85 85 ASP CA C 85 52.697 52.697 52.810 -0.113 25442 7436 1 15 . 1 1 85 85 ASP CB C 85 45.574 45.574 44.615 0.959 25442 7437 1 15 . 1 1 85 85 ASP H H 85 8.960 8.960 8.951 0.009 25442 7438 1 15 . 1 1 86 86 HIS N N 86 121.356 121.356 119.229 2.127 25442 7439 1 15 . 1 1 86 86 HIS HA H 86 4.635 4.635 4.338 0.297 25442 7440 1 15 . 1 1 86 86 HIS CA C 86 58.158 58.158 57.071 1.087 25442 7441 1 15 . 1 1 86 86 HIS CB C 86 31.368 31.368 30.529 0.839 25442 7442 1 15 . 1 1 86 86 HIS H H 86 8.783 8.783 8.666 0.117 25442 7443 1 15 . 1 1 87 87 THR N N 87 114.331 114.331 119.265 -4.934 25442 7444 1 15 . 1 1 87 87 THR HA H 87 4.691 4.691 4.662 0.029 25442 7445 1 15 . 1 1 87 87 THR CA C 87 60.890 60.890 61.113 -0.223 25442 7446 1 15 . 1 1 87 87 THR CB C 87 70.215 70.215 71.268 -1.053 25442 7447 1 15 . 1 1 87 87 THR H H 87 8.032 8.032 8.849 -0.817 25442 7448 1 15 . 1 1 88 88 PHE N N 88 118.673 118.673 123.650 -4.977 25442 7449 1 15 . 1 1 88 88 PHE HA H 88 4.305 4.305 4.724 -0.419 25442 7450 1 15 . 1 1 88 88 PHE CA C 88 58.926 58.926 57.223 1.703 25442 7451 1 15 . 1 1 88 88 PHE CB C 88 39.673 39.673 39.130 0.543 25442 7452 1 15 . 1 1 88 88 PHE H H 88 8.233 8.233 8.969 -0.736 25442 7453 1 15 . 1 1 89 89 TYR N N 89 124.182 124.182 121.602 2.580 25442 7454 1 15 . 1 1 89 89 TYR HA H 89 4.193 4.193 4.169 0.024 25442 7455 1 15 . 1 1 89 89 TYR CA C 89 58.510 58.510 58.808 -0.298 25442 7456 1 15 . 1 1 89 89 TYR CB C 89 39.993 39.993 38.547 1.446 25442 7457 1 15 . 1 1 89 89 TYR H H 89 8.246 8.246 7.872 0.374 25442 7458 1 15 . 1 1 90 90 ARG N N 90 125.111 125.111 128.713 -3.602 25442 7459 1 15 . 1 1 90 90 ARG HA H 90 4.219 4.219 4.455 -0.236 25442 7460 1 15 . 1 1 90 90 ARG CA C 90 52.511 52.511 52.009 0.502 25442 7461 1 15 . 1 1 90 90 ARG CB C 90 31.298 31.298 31.192 0.106 25442 7462 1 15 . 1 1 90 90 ARG H H 90 7.223 7.223 7.915 -0.692 25442 7463 1 15 . 1 1 91 91 PRO HA H 91 4.028 4.028 4.603 -0.575 25442 7464 1 15 . 1 1 91 91 PRO CA C 91 62.759 62.759 62.532 0.227 25442 7465 1 15 . 1 1 91 91 PRO CB C 91 32.074 32.074 32.295 -0.221 25442 7466 1 15 . 1 1 94 94 SER HA H 94 4.466 4.466 4.411 0.055 25442 7467 1 15 . 1 1 94 94 SER CA C 94 58.273 58.273 58.582 -0.309 25442 7468 1 15 . 1 1 94 94 SER CB C 94 63.656 63.656 63.718 -0.062 25442 7469 1 15 . 1 1 95 95 LEU HA H 95 4.369 4.369 4.543 -0.174 25442 7470 1 15 . 1 1 95 95 LEU CA C 95 55.482 55.482 55.023 0.459 25442 7471 1 15 . 1 1 95 95 LEU CB C 95 42.350 42.350 42.406 -0.056 25442 7472 1 15 . 1 1 97 97 LYS HA H 97 4.197 4.197 3.991 0.206 25442 7473 1 15 . 1 1 97 97 LYS CA C 97 56.923 56.923 56.843 0.080 25442 7474 1 15 . 1 1 97 97 LYS CB C 97 32.936 32.936 30.195 2.741 25442 7475 1 15 . 1 1 98 98 TYR N N 98 120.486 120.486 115.448 5.038 25442 7476 1 15 . 1 1 98 98 TYR HA H 98 4.477 4.477 4.447 0.030 25442 7477 1 15 . 1 1 98 98 TYR CA C 98 58.249 58.249 55.550 2.700 25442 7478 1 15 . 1 1 98 98 TYR CB C 98 38.659 38.659 36.573 2.086 25442 7479 1 15 . 1 1 98 98 TYR H H 98 7.979 7.979 8.413 -0.434 25442 7480 1 15 . 1 1 99 99 TYR N N 99 120.784 120.784 122.193 -1.409 25442 7481 1 15 . 1 1 99 99 TYR HA H 99 4.455 4.455 3.756 0.699 25442 7482 1 15 . 1 1 99 99 TYR CA C 99 58.281 58.281 60.729 -2.448 25442 7483 1 15 . 1 1 99 99 TYR CB C 99 38.902 38.902 38.285 0.617 25442 7484 1 15 . 1 1 99 99 TYR H H 99 7.918 7.918 7.766 0.152 25442 7485 1 15 . 1 1 100 100 GLU N N 100 122.033 122.033 116.366 5.667 25442 7486 1 15 . 1 1 100 100 GLU HA H 100 4.171 4.171 4.007 0.164 25442 7487 1 15 . 1 1 100 100 GLU CA C 100 56.766 56.766 58.020 -1.254 25442 7488 1 15 . 1 1 100 100 GLU H H 100 8.055 8.055 8.372 -0.317 25442 7489 1 15 . 1 1 101 101 ALA N N 101 124.629 124.629 122.338 2.291 25442 7490 1 15 . 1 1 101 101 ALA HA H 101 4.283 4.283 4.386 -0.103 25442 7491 1 15 . 1 1 101 101 ALA CA C 101 52.795 52.795 52.278 0.517 25442 7492 1 15 . 1 1 101 101 ALA CB C 101 19.150 19.150 18.672 0.478 25442 7493 1 15 . 1 1 101 101 ALA H H 101 8.040 8.040 7.618 0.422 25442 7494 1 15 . 1 1 102 102 VAL N N 102 119.031 119.031 117.944 1.087 25442 7495 1 15 . 1 1 102 102 VAL HA H 102 4.039 4.039 4.377 -0.338 25442 7496 1 15 . 1 1 102 102 VAL CA C 102 62.675 62.675 63.173 -0.498 25442 7497 1 15 . 1 1 102 102 VAL CB C 102 32.610 32.610 32.769 -0.159 25442 7498 1 15 . 1 1 102 102 VAL H H 102 7.960 7.960 7.875 0.085 25442 7499 1 15 . 1 1 103 103 LYS N N 103 124.562 124.562 120.632 3.930 25442 7500 1 15 . 1 1 103 103 LYS HA H 103 4.258 4.258 4.240 0.018 25442 7501 1 15 . 1 1 103 103 LYS CA C 103 56.797 56.797 57.748 -0.951 25442 7502 1 15 . 1 1 103 103 LYS CB C 103 33.012 33.012 32.735 0.277 25442 7503 1 15 . 1 1 103 103 LYS H H 103 8.207 8.207 7.929 0.278 25442 7504 1 15 . 1 1 104 104 GLU N N 104 121.722 121.722 120.659 1.063 25442 7505 1 15 . 1 1 104 104 GLU HA H 104 4.263 4.263 3.917 0.346 25442 7506 1 15 . 1 1 104 104 GLU CA C 104 57.034 57.034 59.111 -2.077 25442 7507 1 15 . 1 1 104 104 GLU CB C 104 30.351 30.351 28.915 1.436 25442 7508 1 15 . 1 1 104 104 GLU H H 104 8.325 8.325 8.656 -0.331 25442 7509 1 15 . 1 1 105 105 GLU N N 105 121.479 121.479 119.538 1.941 25442 7510 1 15 . 1 1 105 105 GLU HA H 105 4.264 4.264 4.030 0.234 25442 7511 1 15 . 1 1 105 105 GLU CA C 105 56.802 56.802 58.618 -1.816 25442 7512 1 15 . 1 1 105 105 GLU CB C 105 30.351 30.351 29.703 0.648 25442 7513 1 15 . 1 1 105 105 GLU H H 105 8.288 8.288 8.285 0.003 25442 7514 1 15 . 1 1 106 106 LEU N N 106 122.549 122.549 118.609 3.940 25442 7515 1 15 . 1 1 106 106 LEU HA H 106 4.316 4.316 4.210 0.106 25442 7516 1 15 . 1 1 106 106 LEU CA C 106 55.545 55.545 56.289 -0.744 25442 7517 1 15 . 1 1 106 106 LEU CB C 106 42.538 42.538 42.361 0.177 25442 7518 1 15 . 1 1 106 106 LEU H H 106 8.154 8.154 7.657 0.497 25442 7519 1 15 . 1 1 107 107 ASP N N 107 120.656 120.656 119.605 1.051 25442 7520 1 15 . 1 1 107 107 ASP HA H 107 4.587 4.587 4.687 -0.100 25442 7521 1 15 . 1 1 107 107 ASP CA C 107 54.715 54.715 54.746 -0.031 25442 7522 1 15 . 1 1 107 107 ASP CB C 107 41.125 41.125 41.102 0.022 25442 7523 1 15 . 1 1 107 107 ASP H H 107 8.273 8.273 8.150 0.123 25442 7524 1 15 . 1 1 108 108 ARG N N 108 120.710 120.710 122.099 -1.389 25442 7525 1 15 . 1 1 108 108 ARG HA H 108 4.272 4.272 4.452 -0.180 25442 7526 1 15 . 1 1 108 108 ARG CA C 108 56.778 56.778 54.752 2.026 25442 7527 1 15 . 1 1 108 108 ARG CB C 108 30.835 30.835 31.414 -0.579 25442 7528 1 15 . 1 1 108 108 ARG H H 108 8.041 8.041 8.224 -0.183 25442 7529 1 15 . 1 1 109 109 ASP N N 109 120.647 120.647 119.568 1.079 25442 7530 1 15 . 1 1 109 109 ASP CA C 109 54.862 54.862 54.309 0.553 25442 7531 1 15 . 1 1 109 109 ASP H H 109 8.331 8.331 8.451 -0.120 25442 7532 1 15 . 1 1 110 110 ILE N N 110 120.220 120.220 118.185 2.035 25442 7533 1 15 . 1 1 110 110 ILE HA H 110 4.140 4.140 4.532 -0.392 25442 7534 1 15 . 1 1 110 110 ILE CA C 110 61.760 61.760 59.763 1.997 25442 7535 1 15 . 1 1 110 110 ILE CB C 110 38.643 38.643 39.915 -1.272 25442 7536 1 15 . 1 1 110 110 ILE H H 110 7.910 7.910 8.011 -0.101 25442 7537 1 15 . 1 1 111 111 VAL N N 111 122.698 122.698 118.903 3.795 25442 7538 1 15 . 1 1 111 111 VAL HA H 111 4.095 4.095 4.556 -0.461 25442 7539 1 15 . 1 1 111 111 VAL CA C 111 62.982 62.982 61.726 1.256 25442 7540 1 15 . 1 1 111 111 VAL CB C 111 32.438 32.438 34.105 -1.667 25442 7541 1 15 . 1 1 111 111 VAL H H 111 8.018 8.018 8.124 -0.106 25442 7542 1 15 . 1 1 112 112 SER HA H 112 4.439 4.439 4.546 -0.107 25442 7543 1 15 . 1 1 112 112 SER CA C 112 58.581 58.581 57.773 0.808 25442 7544 1 15 . 1 1 112 112 SER CB C 112 63.717 63.717 63.096 0.621 25442 7545 1 15 . 1 1 114 114 ASN HA H 114 4.690 4.690 4.459 0.231 25442 7546 1 15 . 1 1 114 114 ASN CA C 114 53.462 53.462 53.780 -0.318 25442 7547 1 15 . 1 1 114 114 ASN CB C 114 39.073 39.073 38.852 0.221 25442 7548 1 15 . 1 1 115 115 ASN HA H 115 4.690 4.690 4.664 0.026 25442 7549 1 15 . 1 1 115 115 ASN CA C 115 53.476 53.476 52.947 0.529 25442 7550 1 15 . 1 1 115 115 ASN CB C 115 39.073 39.073 38.865 0.208 25442 7551 1 15 . 1 1 116 116 ALA N N 116 123.691 123.691 128.377 -4.686 25442 7552 1 15 . 1 1 116 116 ALA HA H 116 4.355 4.355 4.163 0.192 25442 7553 1 15 . 1 1 116 116 ALA CA C 116 52.748 52.748 53.477 -0.729 25442 7554 1 15 . 1 1 116 116 ALA CB C 116 19.559 19.559 19.130 0.429 25442 7555 1 15 . 1 1 116 116 ALA H H 116 8.144 8.144 8.617 -0.473 25442 7556 1 15 . 1 1 117 117 GLU N N 117 120.174 120.174 119.546 0.628 25442 7557 1 15 . 1 1 117 117 GLU HA H 117 4.284 4.284 4.344 -0.060 25442 7558 1 15 . 1 1 117 117 GLU CA C 117 56.731 56.731 56.127 0.604 25442 7559 1 15 . 1 1 117 117 GLU CB C 117 29.944 29.944 30.213 -0.269 25442 7560 1 15 . 1 1 117 117 GLU H H 117 8.234 8.234 8.262 -0.028 25442 7561 1 16 . 1 1 2 2 ALA HA H 2 4.335 4.335 4.492 -0.157 25442 7562 1 16 . 1 1 2 2 ALA CA C 2 53.634 53.634 51.929 1.705 25442 7563 1 16 . 1 1 2 2 ALA CB C 2 19.441 19.441 18.935 0.506 25442 7564 1 16 . 1 1 3 3 MET N N 3 120.791 120.791 116.716 4.075 25442 7565 1 16 . 1 1 3 3 MET HA H 3 4.499 4.499 3.994 0.505 25442 7566 1 16 . 1 1 3 3 MET CA C 3 55.772 55.772 57.132 -1.360 25442 7567 1 16 . 1 1 3 3 MET CB C 3 32.968 32.968 31.753 1.215 25442 7568 1 16 . 1 1 3 3 MET H H 3 8.636 8.636 8.140 0.496 25442 7569 1 16 . 1 1 4 4 GLY N N 4 109.879 109.879 109.848 0.031 25442 7570 1 16 . 1 1 4 4 GLY CA C 4 45.531 45.531 44.727 0.804 25442 7571 1 16 . 1 1 4 4 GLY H H 4 8.391 8.391 8.241 0.150 25442 7572 1 16 . 1 1 5 5 ASN N N 5 124.309 124.309 119.759 4.550 25442 7573 1 16 . 1 1 5 5 ASN HA H 5 4.661 4.661 4.487 0.174 25442 7574 1 16 . 1 1 5 5 ASN CA C 5 53.419 53.419 53.727 -0.308 25442 7575 1 16 . 1 1 5 5 ASN CB C 5 39.059 39.059 39.052 0.007 25442 7576 1 16 . 1 1 5 5 ASN H H 5 7.954 7.954 8.347 -0.393 25442 7577 1 16 . 1 1 7 7 TYR N N 7 120.088 120.088 120.467 -0.379 25442 7578 1 16 . 1 1 7 7 TYR HA H 7 4.463 4.463 4.680 -0.217 25442 7579 1 16 . 1 1 7 7 TYR CA C 7 58.098 58.098 57.953 0.145 25442 7580 1 16 . 1 1 7 7 TYR CB C 7 38.252 38.252 39.636 -1.384 25442 7581 1 16 . 1 1 7 7 TYR H H 7 8.013 8.013 8.434 -0.421 25442 7582 1 16 . 1 1 8 8 LYS N N 8 121.766 121.766 121.355 0.411 25442 7583 1 16 . 1 1 8 8 LYS HA H 8 4.174 4.174 4.585 -0.411 25442 7584 1 16 . 1 1 8 8 LYS CA C 8 56.835 56.835 55.446 1.389 25442 7585 1 16 . 1 1 8 8 LYS CB C 8 32.997 32.997 35.090 -2.093 25442 7586 1 16 . 1 1 8 8 LYS H H 8 7.845 7.845 8.223 -0.378 25442 7587 1 16 . 1 1 9 9 ASP N N 9 119.739 119.739 121.046 -1.307 25442 7588 1 16 . 1 1 9 9 ASP HA H 9 4.477 4.477 4.443 0.034 25442 7589 1 16 . 1 1 9 9 ASP CA C 9 54.660 54.660 54.920 -0.260 25442 7590 1 16 . 1 1 9 9 ASP CB C 9 41.100 41.100 40.472 0.628 25442 7591 1 16 . 1 1 9 9 ASP H H 9 8.043 8.043 8.580 -0.537 25442 7592 1 16 . 1 1 10 10 ASN N N 10 119.260 119.260 118.154 1.106 25442 7593 1 16 . 1 1 10 10 ASN HA H 10 4.875 4.875 4.553 0.322 25442 7594 1 16 . 1 1 10 10 ASN CA C 10 53.255 53.255 53.683 -0.428 25442 7595 1 16 . 1 1 10 10 ASN CB C 10 39.105 39.105 37.194 1.911 25442 7596 1 16 . 1 1 10 10 ASN H H 10 8.174 8.174 8.425 -0.251 25442 7597 1 16 . 1 1 11 11 ALA N N 11 122.869 122.869 120.309 2.560 25442 7598 1 16 . 1 1 11 11 ALA HA H 11 4.544 4.544 4.382 0.162 25442 7599 1 16 . 1 1 11 11 ALA CA C 11 52.866 52.866 51.813 1.053 25442 7600 1 16 . 1 1 11 11 ALA H H 11 8.299 8.299 8.027 0.272 25442 7601 1 16 . 1 1 12 12 TYR N N 12 117.351 117.351 121.078 -3.727 25442 7602 1 16 . 1 1 12 12 TYR HA H 12 5.220 5.220 5.547 -0.327 25442 7603 1 16 . 1 1 12 12 TYR CA C 12 57.621 57.621 56.122 1.499 25442 7604 1 16 . 1 1 12 12 TYR CB C 12 41.631 41.631 42.735 -1.104 25442 7605 1 16 . 1 1 12 12 TYR H H 12 8.340 8.340 7.782 0.558 25442 7606 1 16 . 1 1 13 13 ILE N N 13 112.184 112.184 121.589 -9.405 25442 7607 1 16 . 1 1 13 13 ILE HA H 13 5.052 5.052 4.759 0.293 25442 7608 1 16 . 1 1 13 13 ILE CA C 13 59.995 59.995 60.546 -0.551 25442 7609 1 16 . 1 1 13 13 ILE CB C 13 40.418 40.418 38.953 1.465 25442 7610 1 16 . 1 1 13 13 ILE H H 13 9.216 9.216 8.836 0.380 25442 7611 1 16 . 1 1 14 14 TYR N N 14 123.504 123.504 130.173 -6.669 25442 7612 1 16 . 1 1 14 14 TYR HA H 14 4.690 4.690 4.795 -0.105 25442 7613 1 16 . 1 1 14 14 TYR CA C 14 56.688 56.688 57.775 -1.087 25442 7614 1 16 . 1 1 14 14 TYR CB C 14 40.564 40.564 39.817 0.747 25442 7615 1 16 . 1 1 14 14 TYR H H 14 9.086 9.086 9.638 -0.552 25442 7616 1 16 . 1 1 15 15 ILE N N 15 127.611 127.611 128.473 -0.862 25442 7617 1 16 . 1 1 15 15 ILE HA H 15 4.288 4.288 4.959 -0.671 25442 7618 1 16 . 1 1 15 15 ILE CA C 15 59.654 59.654 59.748 -0.094 25442 7619 1 16 . 1 1 15 15 ILE CB C 15 40.260 40.260 39.673 0.587 25442 7620 1 16 . 1 1 15 15 ILE H H 15 8.448 8.448 7.896 0.552 25442 7621 1 16 . 1 1 16 16 GLY N N 16 112.660 112.660 111.554 1.106 25442 7622 1 16 . 1 1 16 16 GLY CA C 16 43.240 43.240 43.718 -0.478 25442 7623 1 16 . 1 1 16 16 GLY H H 16 9.438 9.438 8.485 0.953 25442 7624 1 16 . 1 1 17 17 ASN N N 17 114.980 114.980 115.642 -0.662 25442 7625 1 16 . 1 1 17 17 ASN HA H 17 4.439 4.439 4.386 0.053 25442 7626 1 16 . 1 1 17 17 ASN CA C 17 53.251 53.251 54.015 -0.764 25442 7627 1 16 . 1 1 17 17 ASN CB C 17 38.259 38.259 37.064 1.195 25442 7628 1 16 . 1 1 17 17 ASN H H 17 8.497 8.497 8.823 -0.326 25442 7629 1 16 . 1 1 18 18 LEU N N 18 115.182 115.182 115.667 -0.485 25442 7630 1 16 . 1 1 18 18 LEU HA H 18 4.068 4.068 4.607 -0.539 25442 7631 1 16 . 1 1 18 18 LEU CA C 18 54.073 54.073 54.625 -0.552 25442 7632 1 16 . 1 1 18 18 LEU CB C 18 42.912 42.912 42.964 -0.052 25442 7633 1 16 . 1 1 18 18 LEU H H 18 7.859 7.859 7.530 0.329 25442 7634 1 16 . 1 1 19 19 ASN N N 19 122.392 122.392 119.386 3.006 25442 7635 1 16 . 1 1 19 19 ASN HA H 19 4.464 4.464 4.829 -0.365 25442 7636 1 16 . 1 1 19 19 ASN CA C 19 54.087 54.087 52.389 1.698 25442 7637 1 16 . 1 1 19 19 ASN CB C 19 38.703 38.703 39.427 -0.724 25442 7638 1 16 . 1 1 19 19 ASN H H 19 8.727 8.727 8.670 0.057 25442 7639 1 16 . 1 1 20 20 ARG N N 20 126.283 126.283 123.876 2.407 25442 7640 1 16 . 1 1 20 20 ARG HA H 20 3.937 3.937 3.980 -0.043 25442 7641 1 16 . 1 1 20 20 ARG CA C 20 58.719 58.719 58.689 0.030 25442 7642 1 16 . 1 1 20 20 ARG CB C 20 29.719 29.719 29.737 -0.018 25442 7643 1 16 . 1 1 20 20 ARG H H 20 8.940 8.940 8.691 0.249 25442 7644 1 16 . 1 1 21 21 GLU N N 21 117.166 117.166 117.590 -0.424 25442 7645 1 16 . 1 1 21 21 GLU HA H 21 4.321 4.321 4.183 0.138 25442 7646 1 16 . 1 1 21 21 GLU CA C 21 56.778 56.778 57.200 -0.422 25442 7647 1 16 . 1 1 21 21 GLU H H 21 8.867 8.867 8.249 0.618 25442 7648 1 16 . 1 1 22 22 LEU N N 22 119.643 119.643 121.245 -1.602 25442 7649 1 16 . 1 1 22 22 LEU HA H 22 4.540 4.540 4.487 0.053 25442 7650 1 16 . 1 1 22 22 LEU CA C 22 55.505 55.505 54.664 0.841 25442 7651 1 16 . 1 1 22 22 LEU CB C 22 42.251 42.251 41.909 0.342 25442 7652 1 16 . 1 1 22 22 LEU H H 22 7.324 7.324 7.760 -0.436 25442 7653 1 16 . 1 1 23 23 THR N N 23 114.564 114.564 116.366 -1.802 25442 7654 1 16 . 1 1 23 23 THR HA H 23 4.483 4.483 4.624 -0.141 25442 7655 1 16 . 1 1 23 23 THR CA C 23 60.155 60.155 59.559 0.596 25442 7656 1 16 . 1 1 23 23 THR CB C 23 73.000 73.000 71.057 1.943 25442 7657 1 16 . 1 1 23 23 THR H H 23 9.483 9.483 8.494 0.989 25442 7658 1 16 . 1 1 24 24 GLU N N 24 120.458 120.458 120.261 0.197 25442 7659 1 16 . 1 1 24 24 GLU HA H 24 3.604 3.604 4.028 -0.424 25442 7660 1 16 . 1 1 24 24 GLU CA C 24 62.158 62.158 60.071 2.087 25442 7661 1 16 . 1 1 24 24 GLU H H 24 10.410 10.410 8.849 1.561 25442 7662 1 16 . 1 1 25 25 GLY N N 25 105.261 105.261 107.432 -2.171 25442 7663 1 16 . 1 1 25 25 GLY CA C 25 47.219 47.219 46.801 0.418 25442 7664 1 16 . 1 1 25 25 GLY H H 25 8.402 8.402 8.236 0.166 25442 7665 1 16 . 1 1 26 26 ASP N N 26 122.820 122.820 123.085 -0.265 25442 7666 1 16 . 1 1 26 26 ASP HA H 26 4.515 4.515 4.446 0.069 25442 7667 1 16 . 1 1 26 26 ASP CA C 26 58.005 58.005 57.324 0.681 25442 7668 1 16 . 1 1 26 26 ASP CB C 26 41.261 41.261 40.545 0.716 25442 7669 1 16 . 1 1 26 26 ASP H H 26 7.539 7.539 7.555 -0.016 25442 7670 1 16 . 1 1 27 27 ILE N N 27 118.686 118.686 120.442 -1.756 25442 7671 1 16 . 1 1 27 27 ILE HA H 27 3.609 3.609 3.792 -0.183 25442 7672 1 16 . 1 1 27 27 ILE CA C 27 65.348 65.348 65.102 0.246 25442 7673 1 16 . 1 1 27 27 ILE CB C 27 37.789 37.789 37.963 -0.174 25442 7674 1 16 . 1 1 27 27 ILE H H 27 7.832 7.832 7.831 0.001 25442 7675 1 16 . 1 1 28 28 LEU N N 28 119.737 119.737 120.646 -0.909 25442 7676 1 16 . 1 1 28 28 LEU HA H 28 3.790 3.790 3.819 -0.029 25442 7677 1 16 . 1 1 28 28 LEU CA C 28 59.040 59.040 58.410 0.630 25442 7678 1 16 . 1 1 28 28 LEU CB C 28 42.520 42.520 41.579 0.941 25442 7679 1 16 . 1 1 28 28 LEU H H 28 8.731 8.731 8.090 0.641 25442 7680 1 16 . 1 1 29 29 THR N N 29 119.509 119.509 115.148 4.361 25442 7681 1 16 . 1 1 29 29 THR HA H 29 4.045 4.045 3.913 0.132 25442 7682 1 16 . 1 1 29 29 THR CA C 29 67.196 67.196 66.934 0.262 25442 7683 1 16 . 1 1 29 29 THR CB C 29 69.194 69.194 68.473 0.721 25442 7684 1 16 . 1 1 29 29 THR H H 29 8.251 8.251 7.833 0.418 25442 7685 1 16 . 1 1 30 30 VAL N N 30 117.974 117.974 121.281 -3.307 25442 7686 1 16 . 1 1 30 30 VAL HA H 30 3.869 3.869 3.621 0.248 25442 7687 1 16 . 1 1 30 30 VAL CA C 30 65.727 65.727 66.447 -0.720 25442 7688 1 16 . 1 1 30 30 VAL CB C 30 32.912 32.912 31.874 1.038 25442 7689 1 16 . 1 1 30 30 VAL H H 30 7.627 7.627 7.547 0.080 25442 7690 1 16 . 1 1 31 31 PHE N N 31 113.937 113.937 117.565 -3.628 25442 7691 1 16 . 1 1 31 31 PHE HA H 31 3.908 3.908 3.617 0.291 25442 7692 1 16 . 1 1 31 31 PHE CA C 31 62.044 62.044 59.673 2.371 25442 7693 1 16 . 1 1 31 31 PHE CB C 31 37.217 37.217 38.135 -0.918 25442 7694 1 16 . 1 1 31 31 PHE H H 31 8.903 8.903 8.511 0.392 25442 7695 1 16 . 1 1 32 32 SER N N 32 118.854 118.854 114.880 3.974 25442 7696 1 16 . 1 1 32 32 SER HA H 32 5.405 5.405 4.091 1.314 25442 7697 1 16 . 1 1 32 32 SER CA C 32 61.282 61.282 60.962 0.320 25442 7698 1 16 . 1 1 32 32 SER CB C 32 64.055 64.055 62.824 1.231 25442 7699 1 16 . 1 1 32 32 SER H H 32 8.024 8.024 8.160 -0.136 25442 7700 1 16 . 1 1 33 33 GLU N N 33 121.203 121.203 122.416 -1.213 25442 7701 1 16 . 1 1 33 33 GLU HA H 33 2.246 2.246 4.085 -1.839 25442 7702 1 16 . 1 1 33 33 GLU CA C 33 59.596 59.596 58.193 1.403 25442 7703 1 16 . 1 1 33 33 GLU H H 33 6.935 6.935 7.544 -0.609 25442 7704 1 16 . 1 1 34 34 TYR N N 34 108.039 108.039 115.345 -7.306 25442 7705 1 16 . 1 1 34 34 TYR HA H 34 4.953 4.953 4.865 0.088 25442 7706 1 16 . 1 1 34 34 TYR CA C 34 57.226 57.226 55.376 1.850 25442 7707 1 16 . 1 1 34 34 TYR CB C 34 38.821 38.821 37.576 1.245 25442 7708 1 16 . 1 1 34 34 TYR H H 34 6.254 6.254 6.897 -0.643 25442 7709 1 16 . 1 1 35 35 GLY N N 35 103.601 103.601 108.202 -4.601 25442 7710 1 16 . 1 1 35 35 GLY CA C 35 44.594 44.594 44.521 0.073 25442 7711 1 16 . 1 1 35 35 GLY H H 35 7.247 7.247 7.344 -0.097 25442 7712 1 16 . 1 1 36 36 VAL N N 36 120.482 120.482 123.045 -2.563 25442 7713 1 16 . 1 1 36 36 VAL HA H 36 4.537 4.537 3.779 0.758 25442 7714 1 16 . 1 1 36 36 VAL CA C 36 59.942 59.942 60.954 -1.012 25442 7715 1 16 . 1 1 36 36 VAL CB C 36 33.989 33.989 33.141 0.848 25442 7716 1 16 . 1 1 36 36 VAL H H 36 8.549 8.549 8.040 0.509 25442 7717 1 16 . 1 1 37 37 PRO HA H 37 4.543 4.543 4.240 0.303 25442 7718 1 16 . 1 1 37 37 PRO CA C 37 62.043 62.043 62.848 -0.805 25442 7719 1 16 . 1 1 37 37 PRO CB C 37 31.531 31.531 31.960 -0.429 25442 7720 1 16 . 1 1 38 38 VAL N N 38 118.566 118.566 121.984 -3.418 25442 7721 1 16 . 1 1 38 38 VAL HA H 38 4.439 4.439 4.214 0.225 25442 7722 1 16 . 1 1 38 38 VAL CA C 38 61.064 61.064 62.258 -1.194 25442 7723 1 16 . 1 1 38 38 VAL CB C 38 32.842 32.842 33.195 -0.353 25442 7724 1 16 . 1 1 38 38 VAL H H 38 9.099 9.099 8.617 0.482 25442 7725 1 16 . 1 1 39 39 ASP N N 39 118.912 118.912 119.397 -0.485 25442 7726 1 16 . 1 1 39 39 ASP HA H 39 4.920 4.920 4.880 0.040 25442 7727 1 16 . 1 1 39 39 ASP CA C 39 54.860 54.860 54.173 0.687 25442 7728 1 16 . 1 1 39 39 ASP CB C 39 44.441 44.441 44.555 -0.114 25442 7729 1 16 . 1 1 39 39 ASP H H 39 7.300 7.300 7.854 -0.554 25442 7730 1 16 . 1 1 40 40 VAL N N 40 123.365 123.365 123.682 -0.317 25442 7731 1 16 . 1 1 40 40 VAL HA H 40 4.759 4.759 4.421 0.338 25442 7732 1 16 . 1 1 40 40 VAL CA C 40 61.259 61.259 60.982 0.277 25442 7733 1 16 . 1 1 40 40 VAL CB C 40 34.464 34.464 34.013 0.451 25442 7734 1 16 . 1 1 40 40 VAL H H 40 8.052 8.052 8.320 -0.268 25442 7735 1 16 . 1 1 41 41 ILE N N 41 127.951 127.951 128.163 -0.212 25442 7736 1 16 . 1 1 41 41 ILE HA H 41 4.361 4.361 4.421 -0.060 25442 7737 1 16 . 1 1 41 41 ILE CA C 41 60.204 60.204 60.544 -0.340 25442 7738 1 16 . 1 1 41 41 ILE CB C 41 41.220 41.220 39.646 1.574 25442 7739 1 16 . 1 1 41 41 ILE H H 41 9.031 9.031 8.377 0.654 25442 7740 1 16 . 1 1 42 42 LEU N N 42 130.034 130.034 129.429 0.605 25442 7741 1 16 . 1 1 42 42 LEU HA H 42 4.415 4.415 4.571 -0.156 25442 7742 1 16 . 1 1 42 42 LEU CA C 42 53.832 53.832 53.576 0.256 25442 7743 1 16 . 1 1 42 42 LEU CB C 42 44.353 44.353 41.752 2.601 25442 7744 1 16 . 1 1 42 42 LEU H H 42 8.935 8.935 8.638 0.297 25442 7745 1 16 . 1 1 43 43 SER N N 43 121.977 121.977 120.798 1.179 25442 7746 1 16 . 1 1 43 43 SER HA H 43 4.092 4.092 4.396 -0.304 25442 7747 1 16 . 1 1 43 43 SER CA C 43 59.298 59.298 58.355 0.943 25442 7748 1 16 . 1 1 43 43 SER CB C 43 62.879 62.879 63.245 -0.366 25442 7749 1 16 . 1 1 43 43 SER H H 43 8.088 8.088 8.485 -0.397 25442 7750 1 16 . 1 1 44 44 ARG N N 44 125.852 125.852 125.875 -0.023 25442 7751 1 16 . 1 1 44 44 ARG HA H 44 4.906 4.906 4.495 0.411 25442 7752 1 16 . 1 1 44 44 ARG CA C 44 54.363 54.363 54.499 -0.136 25442 7753 1 16 . 1 1 44 44 ARG CB C 44 34.095 34.095 33.681 0.414 25442 7754 1 16 . 1 1 44 44 ARG H H 44 8.081 8.081 8.034 0.047 25442 7755 1 16 . 1 1 45 45 ASP N N 45 123.150 123.150 123.245 -0.095 25442 7756 1 16 . 1 1 45 45 ASP HA H 45 4.425 4.425 4.735 -0.310 25442 7757 1 16 . 1 1 45 45 ASP CA C 45 54.728 54.728 53.721 1.007 25442 7758 1 16 . 1 1 45 45 ASP CB C 45 43.318 43.318 41.962 1.356 25442 7759 1 16 . 1 1 45 45 ASP H H 45 8.594 8.594 8.413 0.181 25442 7760 1 16 . 1 1 46 46 GLU N N 46 127.786 127.786 124.367 3.419 25442 7761 1 16 . 1 1 46 46 GLU HA H 46 4.048 4.048 4.033 0.015 25442 7762 1 16 . 1 1 46 46 GLU CA C 46 59.018 59.018 58.422 0.596 25442 7763 1 16 . 1 1 46 46 GLU CB C 46 29.870 29.870 29.442 0.428 25442 7764 1 16 . 1 1 46 46 GLU H H 46 9.250 9.250 8.775 0.475 25442 7765 1 16 . 1 1 47 47 ASN N N 47 116.105 116.105 117.275 -1.170 25442 7766 1 16 . 1 1 47 47 ASN HA H 47 4.825 4.825 4.545 0.280 25442 7767 1 16 . 1 1 47 47 ASN CA C 47 55.321 55.321 55.192 0.129 25442 7768 1 16 . 1 1 47 47 ASN CB C 47 39.927 39.927 38.537 1.390 25442 7769 1 16 . 1 1 47 47 ASN H H 47 8.857 8.857 8.569 0.288 25442 7770 1 16 . 1 1 48 48 THR N N 48 108.395 108.395 111.717 -3.322 25442 7771 1 16 . 1 1 48 48 THR HA H 48 4.461 4.461 4.403 0.058 25442 7772 1 16 . 1 1 48 48 THR CA C 48 61.883 61.883 62.574 -0.691 25442 7773 1 16 . 1 1 48 48 THR CB C 48 71.194 71.194 70.495 0.699 25442 7774 1 16 . 1 1 48 48 THR H H 48 8.539 8.539 7.540 0.999 25442 7775 1 16 . 1 1 49 49 GLY N N 49 110.910 110.910 112.316 -1.406 25442 7776 1 16 . 1 1 49 49 GLY CA C 49 45.706 45.706 45.556 0.150 25442 7777 1 16 . 1 1 49 49 GLY H H 49 8.293 8.293 8.142 0.151 25442 7778 1 16 . 1 1 50 50 GLU N N 50 120.328 120.328 118.719 1.609 25442 7779 1 16 . 1 1 50 50 GLU HA H 50 4.162 4.162 4.515 -0.353 25442 7780 1 16 . 1 1 50 50 GLU CA C 50 56.540 56.540 54.836 1.704 25442 7781 1 16 . 1 1 50 50 GLU CB C 50 30.948 30.948 31.978 -1.030 25442 7782 1 16 . 1 1 50 50 GLU H H 50 7.854 7.854 7.859 -0.005 25442 7783 1 16 . 1 1 51 51 SER N N 51 117.235 117.235 121.151 -3.916 25442 7784 1 16 . 1 1 51 51 SER HA H 51 4.391 4.391 4.253 0.138 25442 7785 1 16 . 1 1 51 51 SER CA C 51 58.361 58.361 57.920 0.441 25442 7786 1 16 . 1 1 51 51 SER CB C 51 64.438 64.438 63.273 1.165 25442 7787 1 16 . 1 1 51 51 SER H H 51 8.950 8.950 8.710 0.240 25442 7788 1 16 . 1 1 52 52 GLN N N 52 122.996 122.996 124.043 -1.047 25442 7789 1 16 . 1 1 52 52 GLN HA H 52 4.516 4.516 4.167 0.349 25442 7790 1 16 . 1 1 52 52 GLN CA C 52 55.406 55.406 56.093 -0.688 25442 7791 1 16 . 1 1 52 52 GLN CB C 52 29.624 29.624 29.124 0.500 25442 7792 1 16 . 1 1 52 52 GLN H H 52 8.929 8.929 8.324 0.605 25442 7793 1 16 . 1 1 53 53 GLY N N 53 106.139 106.139 107.267 -1.128 25442 7794 1 16 . 1 1 53 53 GLY CA C 53 46.434 46.434 45.306 1.128 25442 7795 1 16 . 1 1 53 53 GLY H H 53 8.876 8.876 8.364 0.512 25442 7796 1 16 . 1 1 54 54 PHE N N 54 112.294 112.294 114.073 -1.779 25442 7797 1 16 . 1 1 54 54 PHE HA H 54 5.436 5.436 5.367 0.069 25442 7798 1 16 . 1 1 54 54 PHE CA C 54 55.464 55.464 55.116 0.348 25442 7799 1 16 . 1 1 54 54 PHE CB C 54 41.207 41.207 40.931 0.276 25442 7800 1 16 . 1 1 54 54 PHE H H 54 6.938 6.938 6.596 0.342 25442 7801 1 16 . 1 1 55 55 ALA N N 55 121.935 121.935 119.678 2.257 25442 7802 1 16 . 1 1 55 55 ALA HA H 55 5.051 5.051 4.414 0.637 25442 7803 1 16 . 1 1 55 55 ALA CA C 55 49.517 49.517 51.575 -2.058 25442 7804 1 16 . 1 1 55 55 ALA CB C 55 24.966 24.966 22.134 2.832 25442 7805 1 16 . 1 1 55 55 ALA H H 55 9.098 9.098 7.852 1.246 25442 7806 1 16 . 1 1 56 56 TYR N N 56 114.799 114.799 117.241 -2.442 25442 7807 1 16 . 1 1 56 56 TYR HA H 56 5.652 5.652 5.355 0.297 25442 7808 1 16 . 1 1 56 56 TYR CA C 56 56.128 56.128 56.595 -0.467 25442 7809 1 16 . 1 1 56 56 TYR CB C 56 42.405 42.405 41.901 0.504 25442 7810 1 16 . 1 1 56 56 TYR H H 56 8.572 8.572 8.157 0.415 25442 7811 1 16 . 1 1 57 57 LEU N N 57 123.129 123.129 122.006 1.123 25442 7812 1 16 . 1 1 57 57 LEU HA H 57 5.100 5.100 4.685 0.415 25442 7813 1 16 . 1 1 57 57 LEU CA C 57 54.552 54.552 54.056 0.496 25442 7814 1 16 . 1 1 57 57 LEU H H 57 8.600 8.600 8.605 -0.005 25442 7815 1 16 . 1 1 58 58 LYS N N 58 126.556 126.556 126.028 0.528 25442 7816 1 16 . 1 1 58 58 LYS HA H 58 4.553 4.553 4.528 0.025 25442 7817 1 16 . 1 1 58 58 LYS CA C 58 54.518 54.518 54.175 0.343 25442 7818 1 16 . 1 1 58 58 LYS CB C 58 36.254 36.254 35.180 1.074 25442 7819 1 16 . 1 1 58 58 LYS H H 58 8.389 8.389 8.171 0.218 25442 7820 1 16 . 1 1 59 59 TYR N N 59 126.761 126.761 126.716 0.045 25442 7821 1 16 . 1 1 59 59 TYR HA H 59 5.061 5.061 4.571 0.490 25442 7822 1 16 . 1 1 59 59 TYR CA C 59 58.271 58.271 55.996 2.275 25442 7823 1 16 . 1 1 59 59 TYR H H 59 9.035 9.035 8.671 0.364 25442 7824 1 16 . 1 1 60 60 GLU N N 60 120.097 120.097 123.037 -2.940 25442 7825 1 16 . 1 1 60 60 GLU HA H 60 3.890 3.890 3.805 0.085 25442 7826 1 16 . 1 1 60 60 GLU CA C 60 59.244 59.244 57.906 1.338 25442 7827 1 16 . 1 1 60 60 GLU CB C 60 31.145 31.145 29.334 1.811 25442 7828 1 16 . 1 1 60 60 GLU H H 60 8.796 8.796 8.045 0.751 25442 7829 1 16 . 1 1 61 61 ASP N N 61 117.697 117.697 117.859 -0.162 25442 7830 1 16 . 1 1 61 61 ASP HA H 61 4.842 4.842 4.651 0.191 25442 7831 1 16 . 1 1 61 61 ASP CA C 61 51.550 51.550 52.391 -0.841 25442 7832 1 16 . 1 1 61 61 ASP CB C 61 43.258 43.258 42.224 1.034 25442 7833 1 16 . 1 1 61 61 ASP H H 61 8.006 8.006 6.607 1.399 25442 7834 1 16 . 1 1 62 62 GLN N N 62 126.321 126.321 124.743 1.578 25442 7835 1 16 . 1 1 62 62 GLN HA H 62 4.223 4.223 4.166 0.057 25442 7836 1 16 . 1 1 62 62 GLN CA C 62 58.637 58.637 58.045 0.592 25442 7837 1 16 . 1 1 62 62 GLN CB C 62 27.994 27.994 28.679 -0.685 25442 7838 1 16 . 1 1 62 62 GLN H H 62 9.053 9.053 8.819 0.234 25442 7839 1 16 . 1 1 63 63 ARG N N 63 121.086 121.086 120.178 0.908 25442 7840 1 16 . 1 1 63 63 ARG HA H 63 3.654 3.654 4.101 -0.447 25442 7841 1 16 . 1 1 63 63 ARG CA C 63 58.971 58.971 59.260 -0.288 25442 7842 1 16 . 1 1 63 63 ARG H H 63 8.960 8.960 7.912 1.048 25442 7843 1 16 . 1 1 64 64 SER N N 64 114.891 114.891 113.790 1.101 25442 7844 1 16 . 1 1 64 64 SER HA H 64 3.704 3.704 4.449 -0.745 25442 7845 1 16 . 1 1 64 64 SER CA C 64 63.589 63.589 61.556 2.033 25442 7846 1 16 . 1 1 64 64 SER H H 64 8.143 8.143 7.945 0.198 25442 7847 1 16 . 1 1 65 65 THR N N 65 111.019 111.019 116.377 -5.358 25442 7848 1 16 . 1 1 65 65 THR HA H 65 3.765 3.765 4.242 -0.477 25442 7849 1 16 . 1 1 65 65 THR CA C 65 66.198 66.198 65.825 0.373 25442 7850 1 16 . 1 1 65 65 THR CB C 65 68.461 68.461 68.447 0.014 25442 7851 1 16 . 1 1 65 65 THR H H 65 7.633 7.633 7.827 -0.194 25442 7852 1 16 . 1 1 66 66 ILE N N 66 123.242 123.242 121.937 1.305 25442 7853 1 16 . 1 1 66 66 ILE HA H 66 3.673 3.673 3.735 -0.062 25442 7854 1 16 . 1 1 66 66 ILE CA C 66 64.506 64.506 64.895 -0.389 25442 7855 1 16 . 1 1 66 66 ILE CB C 66 38.668 38.668 37.794 0.874 25442 7856 1 16 . 1 1 66 66 ILE H H 66 6.648 6.648 7.522 -0.874 25442 7857 1 16 . 1 1 67 67 LEU N N 67 113.375 113.375 119.219 -5.844 25442 7858 1 16 . 1 1 67 67 LEU HA H 67 3.627 3.627 3.780 -0.153 25442 7859 1 16 . 1 1 67 67 LEU CA C 67 57.678 57.678 57.708 -0.030 25442 7860 1 16 . 1 1 67 67 LEU CB C 67 41.866 41.866 41.197 0.669 25442 7861 1 16 . 1 1 67 67 LEU H H 67 6.899 6.899 7.379 -0.480 25442 7862 1 16 . 1 1 68 68 ALA N N 68 120.327 120.327 121.814 -1.487 25442 7863 1 16 . 1 1 68 68 ALA HA H 68 3.406 3.406 3.164 0.242 25442 7864 1 16 . 1 1 68 68 ALA CA C 68 55.643 55.643 54.960 0.683 25442 7865 1 16 . 1 1 68 68 ALA CB C 68 19.395 19.395 18.347 1.048 25442 7866 1 16 . 1 1 68 68 ALA H H 68 8.201 8.201 7.691 0.510 25442 7867 1 16 . 1 1 69 69 VAL N N 69 118.977 118.977 113.914 5.063 25442 7868 1 16 . 1 1 69 69 VAL HA H 69 3.221 3.221 3.783 -0.562 25442 7869 1 16 . 1 1 69 69 VAL CA C 69 67.039 67.039 65.669 1.370 25442 7870 1 16 . 1 1 69 69 VAL CB C 69 31.896 31.896 31.513 0.383 25442 7871 1 16 . 1 1 69 69 VAL H H 69 8.235 8.235 7.755 0.480 25442 7872 1 16 . 1 1 70 70 ASP N N 70 116.894 116.894 120.932 -4.038 25442 7873 1 16 . 1 1 70 70 ASP HA H 70 3.941 3.941 4.500 -0.559 25442 7874 1 16 . 1 1 70 70 ASP CA C 70 57.576 57.576 56.409 1.167 25442 7875 1 16 . 1 1 70 70 ASP CB C 70 39.037 39.037 41.267 -2.230 25442 7876 1 16 . 1 1 70 70 ASP H H 70 8.152 8.152 7.878 0.274 25442 7877 1 16 . 1 1 71 71 ASN N N 71 110.936 110.936 116.443 -5.507 25442 7878 1 16 . 1 1 71 71 ASN HA H 71 5.009 5.009 4.654 0.355 25442 7879 1 16 . 1 1 71 71 ASN CA C 71 55.710 55.710 54.498 1.212 25442 7880 1 16 . 1 1 71 71 ASN CB C 71 42.091 42.091 40.130 1.961 25442 7881 1 16 . 1 1 71 71 ASN H H 71 7.562 7.562 7.675 -0.113 25442 7882 1 16 . 1 1 72 72 LEU N N 72 116.460 116.460 119.616 -3.156 25442 7883 1 16 . 1 1 72 72 LEU HA H 72 4.686 4.686 4.148 0.538 25442 7884 1 16 . 1 1 72 72 LEU CA C 72 54.411 54.411 56.163 -1.752 25442 7885 1 16 . 1 1 72 72 LEU CB C 72 42.477 42.477 41.933 0.544 25442 7886 1 16 . 1 1 72 72 LEU H H 72 8.406 8.406 8.147 0.259 25442 7887 1 16 . 1 1 73 73 ASN N N 73 118.618 118.618 118.044 0.574 25442 7888 1 16 . 1 1 73 73 ASN HA H 73 4.419 4.419 4.523 -0.104 25442 7889 1 16 . 1 1 73 73 ASN CA C 73 56.716 56.716 54.580 2.136 25442 7890 1 16 . 1 1 73 73 ASN CB C 73 39.452 39.452 38.159 1.293 25442 7891 1 16 . 1 1 73 73 ASN H H 73 6.956 6.956 7.497 -0.541 25442 7892 1 16 . 1 1 74 74 GLY N N 74 116.095 116.095 113.385 2.710 25442 7893 1 16 . 1 1 74 74 GLY CA C 74 45.912 45.912 45.473 0.439 25442 7894 1 16 . 1 1 74 74 GLY H H 74 9.379 9.379 8.788 0.591 25442 7895 1 16 . 1 1 75 75 PHE N N 75 123.354 123.354 121.854 1.500 25442 7896 1 16 . 1 1 75 75 PHE HA H 75 4.311 4.311 4.716 -0.405 25442 7897 1 16 . 1 1 75 75 PHE CA C 75 58.979 58.979 56.275 2.704 25442 7898 1 16 . 1 1 75 75 PHE CB C 75 41.709 41.709 41.215 0.494 25442 7899 1 16 . 1 1 75 75 PHE H H 75 8.211 8.211 7.759 0.452 25442 7900 1 16 . 1 1 76 76 LYS N N 76 127.267 127.267 127.000 0.267 25442 7901 1 16 . 1 1 76 76 LYS HA H 76 4.598 4.598 4.159 0.439 25442 7902 1 16 . 1 1 76 76 LYS CA C 76 56.529 56.529 55.408 1.121 25442 7903 1 16 . 1 1 76 76 LYS CB C 76 33.073 33.073 31.949 1.124 25442 7904 1 16 . 1 1 76 76 LYS H H 76 7.648 7.648 7.878 -0.230 25442 7905 1 16 . 1 1 77 77 ILE N N 77 121.576 121.576 125.142 -3.566 25442 7906 1 16 . 1 1 77 77 ILE HA H 77 4.406 4.406 4.217 0.189 25442 7907 1 16 . 1 1 77 77 ILE CA C 77 60.214 60.214 60.497 -0.283 25442 7908 1 16 . 1 1 77 77 ILE CB C 77 40.048 40.048 39.250 0.798 25442 7909 1 16 . 1 1 77 77 ILE H H 77 8.100 8.100 7.852 0.248 25442 7910 1 16 . 1 1 78 78 GLY CA C 78 47.118 47.118 45.844 1.274 25442 7911 1 16 . 1 1 79 79 GLY CA C 79 45.171 45.171 44.663 0.507 25442 7912 1 16 . 1 1 80 80 ARG N N 80 119.377 119.377 122.680 -3.303 25442 7913 1 16 . 1 1 80 80 ARG HA H 80 4.650 4.650 4.547 0.103 25442 7914 1 16 . 1 1 80 80 ARG CA C 80 54.849 54.849 55.009 -0.160 25442 7915 1 16 . 1 1 80 80 ARG CB C 80 33.411 33.411 31.739 1.672 25442 7916 1 16 . 1 1 80 80 ARG H H 80 7.379 7.379 8.566 -1.187 25442 7917 1 16 . 1 1 81 81 ALA N N 81 126.782 126.782 122.302 4.480 25442 7918 1 16 . 1 1 81 81 ALA HA H 81 4.137 4.137 4.678 -0.541 25442 7919 1 16 . 1 1 81 81 ALA CA C 81 51.454 51.454 51.636 -0.182 25442 7920 1 16 . 1 1 81 81 ALA CB C 81 19.131 19.131 19.743 -0.612 25442 7921 1 16 . 1 1 81 81 ALA H H 81 8.734 8.734 8.228 0.506 25442 7922 1 16 . 1 1 82 82 LEU N N 82 125.769 125.769 119.492 6.277 25442 7923 1 16 . 1 1 82 82 LEU HA H 82 4.390 4.390 4.878 -0.488 25442 7924 1 16 . 1 1 82 82 LEU CA C 82 56.196 56.196 53.626 2.570 25442 7925 1 16 . 1 1 82 82 LEU CB C 82 43.362 43.362 42.936 0.426 25442 7926 1 16 . 1 1 82 82 LEU H H 82 8.736 8.736 8.097 0.639 25442 7927 1 16 . 1 1 83 83 LYS N N 83 123.851 123.851 121.791 2.060 25442 7928 1 16 . 1 1 83 83 LYS HA H 83 5.005 5.005 4.567 0.438 25442 7929 1 16 . 1 1 83 83 LYS CA C 83 54.790 54.790 55.349 -0.559 25442 7930 1 16 . 1 1 83 83 LYS CB C 83 34.212 34.212 33.577 0.635 25442 7931 1 16 . 1 1 83 83 LYS H H 83 7.838 7.838 8.576 -0.738 25442 7932 1 16 . 1 1 84 84 ILE N N 84 125.629 125.629 126.649 -1.020 25442 7933 1 16 . 1 1 84 84 ILE HA H 84 5.576 5.576 5.084 0.492 25442 7934 1 16 . 1 1 84 84 ILE CA C 84 58.513 58.513 59.062 -0.549 25442 7935 1 16 . 1 1 84 84 ILE CB C 84 40.310 40.310 38.265 2.045 25442 7936 1 16 . 1 1 84 84 ILE H H 84 8.727 8.727 8.585 0.142 25442 7937 1 16 . 1 1 85 85 ASP N N 85 124.427 124.427 127.626 -3.199 25442 7938 1 16 . 1 1 85 85 ASP HA H 85 5.094 5.094 4.842 0.252 25442 7939 1 16 . 1 1 85 85 ASP CA C 85 52.697 52.697 53.016 -0.319 25442 7940 1 16 . 1 1 85 85 ASP CB C 85 45.574 45.574 44.629 0.945 25442 7941 1 16 . 1 1 85 85 ASP H H 85 8.960 8.960 8.680 0.280 25442 7942 1 16 . 1 1 86 86 HIS N N 86 121.356 121.356 120.726 0.630 25442 7943 1 16 . 1 1 86 86 HIS HA H 86 4.635 4.635 5.420 -0.785 25442 7944 1 16 . 1 1 86 86 HIS CA C 86 58.158 58.158 56.003 2.155 25442 7945 1 16 . 1 1 86 86 HIS CB C 86 31.368 31.368 31.255 0.113 25442 7946 1 16 . 1 1 86 86 HIS H H 86 8.783 8.783 8.451 0.332 25442 7947 1 16 . 1 1 87 87 THR N N 87 114.331 114.331 114.666 -0.335 25442 7948 1 16 . 1 1 87 87 THR HA H 87 4.691 4.691 4.458 0.233 25442 7949 1 16 . 1 1 87 87 THR CA C 87 60.890 60.890 60.398 0.492 25442 7950 1 16 . 1 1 87 87 THR CB C 87 70.215 70.215 71.408 -1.193 25442 7951 1 16 . 1 1 87 87 THR H H 87 8.032 8.032 8.854 -0.822 25442 7952 1 16 . 1 1 88 88 PHE N N 88 118.673 118.673 121.908 -3.235 25442 7953 1 16 . 1 1 88 88 PHE HA H 88 4.305 4.305 4.871 -0.566 25442 7954 1 16 . 1 1 88 88 PHE CA C 88 58.926 58.926 56.185 2.741 25442 7955 1 16 . 1 1 88 88 PHE CB C 88 39.673 39.673 39.457 0.216 25442 7956 1 16 . 1 1 88 88 PHE H H 88 8.233 8.233 8.510 -0.277 25442 7957 1 16 . 1 1 89 89 TYR N N 89 124.182 124.182 122.665 1.517 25442 7958 1 16 . 1 1 89 89 TYR HA H 89 4.193 4.193 4.126 0.067 25442 7959 1 16 . 1 1 89 89 TYR CA C 89 58.510 58.510 58.597 -0.087 25442 7960 1 16 . 1 1 89 89 TYR CB C 89 39.993 39.993 38.722 1.271 25442 7961 1 16 . 1 1 89 89 TYR H H 89 8.246 8.246 7.386 0.860 25442 7962 1 16 . 1 1 90 90 ARG N N 90 125.111 125.111 128.113 -3.002 25442 7963 1 16 . 1 1 90 90 ARG HA H 90 4.219 4.219 4.194 0.025 25442 7964 1 16 . 1 1 90 90 ARG CA C 90 52.511 52.511 52.996 -0.485 25442 7965 1 16 . 1 1 90 90 ARG CB C 90 31.298 31.298 29.468 1.830 25442 7966 1 16 . 1 1 90 90 ARG H H 90 7.223 7.223 8.055 -0.832 25442 7967 1 16 . 1 1 91 91 PRO HA H 91 4.028 4.028 4.143 -0.115 25442 7968 1 16 . 1 1 91 91 PRO CA C 91 62.759 62.759 62.182 0.577 25442 7969 1 16 . 1 1 91 91 PRO CB C 91 32.074 32.074 32.293 -0.219 25442 7970 1 16 . 1 1 94 94 SER HA H 94 4.466 4.466 4.914 -0.448 25442 7971 1 16 . 1 1 94 94 SER CA C 94 58.273 58.273 57.714 0.559 25442 7972 1 16 . 1 1 94 94 SER CB C 94 63.656 63.656 64.234 -0.578 25442 7973 1 16 . 1 1 95 95 LEU HA H 95 4.369 4.369 4.575 -0.206 25442 7974 1 16 . 1 1 95 95 LEU CA C 95 55.482 55.482 55.678 -0.196 25442 7975 1 16 . 1 1 95 95 LEU CB C 95 42.350 42.350 40.278 2.072 25442 7976 1 16 . 1 1 97 97 LYS HA H 97 4.197 4.197 4.381 -0.184 25442 7977 1 16 . 1 1 97 97 LYS CA C 97 56.923 56.923 55.770 1.153 25442 7978 1 16 . 1 1 97 97 LYS CB C 97 32.936 32.936 32.392 0.544 25442 7979 1 16 . 1 1 98 98 TYR N N 98 120.486 120.486 123.458 -2.972 25442 7980 1 16 . 1 1 98 98 TYR HA H 98 4.477 4.477 4.697 -0.220 25442 7981 1 16 . 1 1 98 98 TYR CA C 98 58.249 58.249 54.908 3.341 25442 7982 1 16 . 1 1 98 98 TYR CB C 98 38.659 38.659 36.053 2.606 25442 7983 1 16 . 1 1 98 98 TYR H H 98 7.979 7.979 8.415 -0.436 25442 7984 1 16 . 1 1 99 99 TYR N N 99 120.784 120.784 123.945 -3.161 25442 7985 1 16 . 1 1 99 99 TYR HA H 99 4.455 4.455 3.885 0.570 25442 7986 1 16 . 1 1 99 99 TYR CA C 99 58.281 58.281 62.013 -3.732 25442 7987 1 16 . 1 1 99 99 TYR CB C 99 38.902 38.902 38.531 0.371 25442 7988 1 16 . 1 1 99 99 TYR H H 99 7.918 7.918 7.981 -0.063 25442 7989 1 16 . 1 1 100 100 GLU N N 100 122.033 122.033 117.865 4.168 25442 7990 1 16 . 1 1 100 100 GLU HA H 100 4.171 4.171 3.883 0.288 25442 7991 1 16 . 1 1 100 100 GLU CA C 100 56.766 56.766 58.882 -2.116 25442 7992 1 16 . 1 1 100 100 GLU H H 100 8.055 8.055 8.743 -0.688 25442 7993 1 16 . 1 1 101 101 ALA N N 101 124.629 124.629 120.029 4.600 25442 7994 1 16 . 1 1 101 101 ALA HA H 101 4.283 4.283 4.295 -0.012 25442 7995 1 16 . 1 1 101 101 ALA CA C 101 52.795 52.795 53.934 -1.139 25442 7996 1 16 . 1 1 101 101 ALA CB C 101 19.150 19.150 19.193 -0.043 25442 7997 1 16 . 1 1 101 101 ALA H H 101 8.040 8.040 7.908 0.132 25442 7998 1 16 . 1 1 102 102 VAL N N 102 119.031 119.031 118.230 0.801 25442 7999 1 16 . 1 1 102 102 VAL HA H 102 4.039 4.039 3.598 0.441 25442 8000 1 16 . 1 1 102 102 VAL CA C 102 62.675 62.675 65.865 -3.190 25442 8001 1 16 . 1 1 102 102 VAL CB C 102 32.610 32.610 31.556 1.054 25442 8002 1 16 . 1 1 102 102 VAL H H 102 7.960 7.960 7.501 0.459 25442 8003 1 16 . 1 1 103 103 LYS N N 103 124.562 124.562 120.143 4.419 25442 8004 1 16 . 1 1 103 103 LYS HA H 103 4.258 4.258 4.020 0.238 25442 8005 1 16 . 1 1 103 103 LYS CA C 103 56.797 56.797 57.693 -0.896 25442 8006 1 16 . 1 1 103 103 LYS CB C 103 33.012 33.012 32.328 0.684 25442 8007 1 16 . 1 1 103 103 LYS H H 103 8.207 8.207 7.247 0.960 25442 8008 1 16 . 1 1 104 104 GLU N N 104 121.722 121.722 118.399 3.323 25442 8009 1 16 . 1 1 104 104 GLU HA H 104 4.263 4.263 3.933 0.330 25442 8010 1 16 . 1 1 104 104 GLU CA C 104 57.034 57.034 59.596 -2.562 25442 8011 1 16 . 1 1 104 104 GLU CB C 104 30.351 30.351 29.129 1.222 25442 8012 1 16 . 1 1 104 104 GLU H H 104 8.325 8.325 8.761 -0.436 25442 8013 1 16 . 1 1 105 105 GLU N N 105 121.479 121.479 118.380 3.099 25442 8014 1 16 . 1 1 105 105 GLU HA H 105 4.264 4.264 4.054 0.210 25442 8015 1 16 . 1 1 105 105 GLU CA C 105 56.802 56.802 58.949 -2.147 25442 8016 1 16 . 1 1 105 105 GLU CB C 105 30.351 30.351 29.593 0.758 25442 8017 1 16 . 1 1 105 105 GLU H H 105 8.288 8.288 8.375 -0.087 25442 8018 1 16 . 1 1 106 106 LEU N N 106 122.549 122.549 115.653 6.896 25442 8019 1 16 . 1 1 106 106 LEU HA H 106 4.316 4.316 4.477 -0.161 25442 8020 1 16 . 1 1 106 106 LEU CA C 106 55.545 55.545 55.030 0.515 25442 8021 1 16 . 1 1 106 106 LEU CB C 106 42.538 42.538 43.235 -0.697 25442 8022 1 16 . 1 1 106 106 LEU H H 106 8.154 8.154 8.199 -0.045 25442 8023 1 16 . 1 1 107 107 ASP N N 107 120.656 120.656 121.152 -0.496 25442 8024 1 16 . 1 1 107 107 ASP HA H 107 4.587 4.587 4.524 0.063 25442 8025 1 16 . 1 1 107 107 ASP CA C 107 54.715 54.715 57.156 -2.441 25442 8026 1 16 . 1 1 107 107 ASP CB C 107 41.125 41.125 40.305 0.820 25442 8027 1 16 . 1 1 107 107 ASP H H 107 8.273 8.273 8.553 -0.280 25442 8028 1 16 . 1 1 108 108 ARG N N 108 120.710 120.710 120.142 0.568 25442 8029 1 16 . 1 1 108 108 ARG HA H 108 4.272 4.272 3.991 0.281 25442 8030 1 16 . 1 1 108 108 ARG CA C 108 56.778 56.778 58.907 -2.130 25442 8031 1 16 . 1 1 108 108 ARG CB C 108 30.835 30.835 30.076 0.759 25442 8032 1 16 . 1 1 108 108 ARG H H 108 8.041 8.041 7.568 0.473 25442 8033 1 16 . 1 1 109 109 ASP N N 109 120.647 120.647 118.526 2.121 25442 8034 1 16 . 1 1 109 109 ASP CA C 109 54.862 54.862 56.713 -1.851 25442 8035 1 16 . 1 1 109 109 ASP H H 109 8.331 8.331 8.026 0.305 25442 8036 1 16 . 1 1 110 110 ILE N N 110 120.220 120.220 113.499 6.721 25442 8037 1 16 . 1 1 110 110 ILE HA H 110 4.140 4.140 4.315 -0.175 25442 8038 1 16 . 1 1 110 110 ILE CA C 110 61.760 61.760 61.745 0.015 25442 8039 1 16 . 1 1 110 110 ILE CB C 110 38.643 38.643 37.430 1.213 25442 8040 1 16 . 1 1 110 110 ILE H H 110 7.910 7.910 7.655 0.255 25442 8041 1 16 . 1 1 111 111 VAL N N 111 122.698 122.698 120.441 2.257 25442 8042 1 16 . 1 1 111 111 VAL HA H 111 4.095 4.095 4.678 -0.583 25442 8043 1 16 . 1 1 111 111 VAL CA C 111 62.982 62.982 62.656 0.327 25442 8044 1 16 . 1 1 111 111 VAL CB C 111 32.438 32.438 34.603 -2.166 25442 8045 1 16 . 1 1 111 111 VAL H H 111 8.018 8.018 7.702 0.316 25442 8046 1 16 . 1 1 112 112 SER HA H 112 4.439 4.439 4.111 0.328 25442 8047 1 16 . 1 1 112 112 SER CA C 112 58.581 58.581 61.686 -3.105 25442 8048 1 16 . 1 1 112 112 SER CB C 112 63.717 63.717 63.459 0.258 25442 8049 1 16 . 1 1 114 114 ASN HA H 114 4.690 4.690 4.270 0.420 25442 8050 1 16 . 1 1 114 114 ASN CA C 114 53.462 53.462 55.173 -1.711 25442 8051 1 16 . 1 1 114 114 ASN CB C 114 39.073 39.073 37.546 1.527 25442 8052 1 16 . 1 1 115 115 ASN HA H 115 4.690 4.690 4.596 0.094 25442 8053 1 16 . 1 1 115 115 ASN CA C 115 53.476 53.476 54.328 -0.852 25442 8054 1 16 . 1 1 115 115 ASN CB C 115 39.073 39.073 38.790 0.283 25442 8055 1 16 . 1 1 116 116 ALA N N 116 123.691 123.691 122.171 1.520 25442 8056 1 16 . 1 1 116 116 ALA HA H 116 4.355 4.355 4.395 -0.040 25442 8057 1 16 . 1 1 116 116 ALA CA C 116 52.748 52.748 51.196 1.552 25442 8058 1 16 . 1 1 116 116 ALA CB C 116 19.559 19.559 19.598 -0.039 25442 8059 1 16 . 1 1 116 116 ALA H H 116 8.144 8.144 7.784 0.360 25442 8060 1 16 . 1 1 117 117 GLU N N 117 120.174 120.174 121.930 -1.756 25442 8061 1 16 . 1 1 117 117 GLU HA H 117 4.284 4.284 3.916 0.368 25442 8062 1 16 . 1 1 117 117 GLU CA C 117 56.731 56.731 57.428 -0.697 25442 8063 1 16 . 1 1 117 117 GLU CB C 117 29.944 29.944 28.765 1.179 25442 8064 1 16 . 1 1 117 117 GLU H H 117 8.234 8.234 8.239 -0.005 25442 8065 1 17 . 1 1 2 2 ALA HA H 2 4.335 4.335 4.223 0.112 25442 8066 1 17 . 1 1 2 2 ALA CA C 2 53.634 53.634 52.231 1.403 25442 8067 1 17 . 1 1 2 2 ALA CB C 2 19.441 19.441 18.678 0.763 25442 8068 1 17 . 1 1 3 3 MET N N 3 120.791 120.791 123.630 -2.839 25442 8069 1 17 . 1 1 3 3 MET HA H 3 4.499 4.499 4.253 0.246 25442 8070 1 17 . 1 1 3 3 MET CA C 3 55.772 55.772 56.436 -0.664 25442 8071 1 17 . 1 1 3 3 MET CB C 3 32.968 32.968 33.012 -0.044 25442 8072 1 17 . 1 1 3 3 MET H H 3 8.636 8.636 8.349 0.287 25442 8073 1 17 . 1 1 4 4 GLY N N 4 109.879 109.879 114.711 -4.832 25442 8074 1 17 . 1 1 4 4 GLY CA C 4 45.531 45.531 45.085 0.446 25442 8075 1 17 . 1 1 4 4 GLY H H 4 8.391 8.391 8.733 -0.342 25442 8076 1 17 . 1 1 5 5 ASN N N 5 124.309 124.309 120.597 3.712 25442 8077 1 17 . 1 1 5 5 ASN HA H 5 4.661 4.661 4.606 0.055 25442 8078 1 17 . 1 1 5 5 ASN CA C 5 53.419 53.419 53.527 -0.108 25442 8079 1 17 . 1 1 5 5 ASN CB C 5 39.059 39.059 37.886 1.173 25442 8080 1 17 . 1 1 5 5 ASN H H 5 7.954 7.954 8.748 -0.794 25442 8081 1 17 . 1 1 7 7 TYR N N 7 120.088 120.088 115.878 4.210 25442 8082 1 17 . 1 1 7 7 TYR HA H 7 4.463 4.463 4.282 0.181 25442 8083 1 17 . 1 1 7 7 TYR CA C 7 58.098 58.098 58.880 -0.782 25442 8084 1 17 . 1 1 7 7 TYR CB C 7 38.252 38.252 35.764 2.488 25442 8085 1 17 . 1 1 7 7 TYR H H 7 8.013 8.013 8.149 -0.136 25442 8086 1 17 . 1 1 8 8 LYS N N 8 121.766 121.766 120.176 1.590 25442 8087 1 17 . 1 1 8 8 LYS HA H 8 4.174 4.174 4.288 -0.114 25442 8088 1 17 . 1 1 8 8 LYS CA C 8 56.835 56.835 56.864 -0.028 25442 8089 1 17 . 1 1 8 8 LYS CB C 8 32.997 32.997 33.029 -0.032 25442 8090 1 17 . 1 1 8 8 LYS H H 8 7.845 7.845 7.920 -0.075 25442 8091 1 17 . 1 1 9 9 ASP N N 9 119.739 119.739 117.316 2.423 25442 8092 1 17 . 1 1 9 9 ASP HA H 9 4.477 4.477 4.332 0.145 25442 8093 1 17 . 1 1 9 9 ASP CA C 9 54.660 54.660 55.480 -0.820 25442 8094 1 17 . 1 1 9 9 ASP CB C 9 41.100 41.100 39.589 1.511 25442 8095 1 17 . 1 1 9 9 ASP H H 9 8.043 8.043 8.698 -0.655 25442 8096 1 17 . 1 1 10 10 ASN N N 10 119.260 119.260 115.882 3.378 25442 8097 1 17 . 1 1 10 10 ASN HA H 10 4.875 4.875 4.996 -0.121 25442 8098 1 17 . 1 1 10 10 ASN CA C 10 53.255 53.255 52.964 0.291 25442 8099 1 17 . 1 1 10 10 ASN CB C 10 39.105 39.105 39.063 0.042 25442 8100 1 17 . 1 1 10 10 ASN H H 10 8.174 8.174 8.268 -0.094 25442 8101 1 17 . 1 1 11 11 ALA N N 11 122.869 122.869 123.860 -0.991 25442 8102 1 17 . 1 1 11 11 ALA HA H 11 4.544 4.544 4.587 -0.043 25442 8103 1 17 . 1 1 11 11 ALA CA C 11 52.866 52.866 51.559 1.306 25442 8104 1 17 . 1 1 11 11 ALA H H 11 8.299 8.299 8.005 0.294 25442 8105 1 17 . 1 1 12 12 TYR N N 12 117.351 117.351 120.954 -3.603 25442 8106 1 17 . 1 1 12 12 TYR HA H 12 5.220 5.220 5.503 -0.283 25442 8107 1 17 . 1 1 12 12 TYR CA C 12 57.621 57.621 56.076 1.545 25442 8108 1 17 . 1 1 12 12 TYR CB C 12 41.631 41.631 43.269 -1.638 25442 8109 1 17 . 1 1 12 12 TYR H H 12 8.340 8.340 8.047 0.293 25442 8110 1 17 . 1 1 13 13 ILE N N 13 112.184 112.184 117.096 -4.912 25442 8111 1 17 . 1 1 13 13 ILE HA H 13 5.052 5.052 4.908 0.144 25442 8112 1 17 . 1 1 13 13 ILE CA C 13 59.995 59.995 60.036 -0.041 25442 8113 1 17 . 1 1 13 13 ILE CB C 13 40.418 40.418 40.840 -0.422 25442 8114 1 17 . 1 1 13 13 ILE H H 13 9.216 9.216 8.645 0.571 25442 8115 1 17 . 1 1 14 14 TYR N N 14 123.504 123.504 128.120 -4.616 25442 8116 1 17 . 1 1 14 14 TYR HA H 14 4.690 4.690 5.210 -0.520 25442 8117 1 17 . 1 1 14 14 TYR CA C 14 56.688 56.688 56.564 0.124 25442 8118 1 17 . 1 1 14 14 TYR CB C 14 40.564 40.564 40.624 -0.060 25442 8119 1 17 . 1 1 14 14 TYR H H 14 9.086 9.086 9.377 -0.291 25442 8120 1 17 . 1 1 15 15 ILE N N 15 127.611 127.611 127.969 -0.358 25442 8121 1 17 . 1 1 15 15 ILE HA H 15 4.288 4.288 4.738 -0.450 25442 8122 1 17 . 1 1 15 15 ILE CA C 15 59.654 59.654 59.606 0.048 25442 8123 1 17 . 1 1 15 15 ILE CB C 15 40.260 40.260 39.193 1.067 25442 8124 1 17 . 1 1 15 15 ILE H H 15 8.448 8.448 7.437 1.011 25442 8125 1 17 . 1 1 16 16 GLY N N 16 112.660 112.660 110.935 1.725 25442 8126 1 17 . 1 1 16 16 GLY CA C 16 43.240 43.240 42.954 0.286 25442 8127 1 17 . 1 1 16 16 GLY H H 16 9.438 9.438 8.483 0.955 25442 8128 1 17 . 1 1 17 17 ASN N N 17 114.980 114.980 115.401 -0.421 25442 8129 1 17 . 1 1 17 17 ASN HA H 17 4.439 4.439 4.303 0.136 25442 8130 1 17 . 1 1 17 17 ASN CA C 17 53.251 53.251 54.303 -1.052 25442 8131 1 17 . 1 1 17 17 ASN CB C 17 38.259 38.259 37.056 1.203 25442 8132 1 17 . 1 1 17 17 ASN H H 17 8.497 8.497 8.830 -0.333 25442 8133 1 17 . 1 1 18 18 LEU N N 18 115.182 115.182 114.730 0.452 25442 8134 1 17 . 1 1 18 18 LEU HA H 18 4.068 4.068 4.603 -0.535 25442 8135 1 17 . 1 1 18 18 LEU CA C 18 54.073 54.073 53.831 0.242 25442 8136 1 17 . 1 1 18 18 LEU CB C 18 42.912 42.912 43.377 -0.465 25442 8137 1 17 . 1 1 18 18 LEU H H 18 7.859 7.859 7.688 0.171 25442 8138 1 17 . 1 1 19 19 ASN N N 19 122.392 122.392 119.644 2.748 25442 8139 1 17 . 1 1 19 19 ASN HA H 19 4.464 4.464 4.688 -0.224 25442 8140 1 17 . 1 1 19 19 ASN CA C 19 54.087 54.087 52.608 1.479 25442 8141 1 17 . 1 1 19 19 ASN CB C 19 38.703 38.703 40.105 -1.402 25442 8142 1 17 . 1 1 19 19 ASN H H 19 8.727 8.727 8.584 0.143 25442 8143 1 17 . 1 1 20 20 ARG N N 20 126.283 126.283 125.679 0.604 25442 8144 1 17 . 1 1 20 20 ARG HA H 20 3.937 3.937 4.022 -0.085 25442 8145 1 17 . 1 1 20 20 ARG CA C 20 58.719 58.719 58.215 0.504 25442 8146 1 17 . 1 1 20 20 ARG CB C 20 29.719 29.719 29.901 -0.182 25442 8147 1 17 . 1 1 20 20 ARG H H 20 8.940 8.940 8.789 0.151 25442 8148 1 17 . 1 1 21 21 GLU N N 21 117.166 117.166 116.971 0.195 25442 8149 1 17 . 1 1 21 21 GLU HA H 21 4.321 4.321 4.081 0.240 25442 8150 1 17 . 1 1 21 21 GLU CA C 21 56.778 56.778 57.463 -0.685 25442 8151 1 17 . 1 1 21 21 GLU H H 21 8.867 8.867 8.233 0.634 25442 8152 1 17 . 1 1 22 22 LEU N N 22 119.643 119.643 120.657 -1.014 25442 8153 1 17 . 1 1 22 22 LEU HA H 22 4.540 4.540 4.169 0.371 25442 8154 1 17 . 1 1 22 22 LEU CA C 22 55.505 55.505 55.309 0.196 25442 8155 1 17 . 1 1 22 22 LEU CB C 22 42.251 42.251 42.122 0.129 25442 8156 1 17 . 1 1 22 22 LEU H H 22 7.324 7.324 7.404 -0.080 25442 8157 1 17 . 1 1 23 23 THR N N 23 114.564 114.564 113.678 0.886 25442 8158 1 17 . 1 1 23 23 THR HA H 23 4.483 4.483 4.574 -0.091 25442 8159 1 17 . 1 1 23 23 THR CA C 23 60.155 60.155 59.705 0.450 25442 8160 1 17 . 1 1 23 23 THR CB C 23 73.000 73.000 71.056 1.944 25442 8161 1 17 . 1 1 23 23 THR H H 23 9.483 9.483 7.779 1.704 25442 8162 1 17 . 1 1 24 24 GLU N N 24 120.458 120.458 121.514 -1.056 25442 8163 1 17 . 1 1 24 24 GLU HA H 24 3.604 3.604 4.061 -0.457 25442 8164 1 17 . 1 1 24 24 GLU CA C 24 62.158 62.158 59.920 2.238 25442 8165 1 17 . 1 1 24 24 GLU H H 24 10.410 10.410 8.970 1.440 25442 8166 1 17 . 1 1 25 25 GLY N N 25 105.261 105.261 107.704 -2.443 25442 8167 1 17 . 1 1 25 25 GLY CA C 25 47.219 47.219 46.853 0.366 25442 8168 1 17 . 1 1 25 25 GLY H H 25 8.402 8.402 8.428 -0.026 25442 8169 1 17 . 1 1 26 26 ASP N N 26 122.820 122.820 122.920 -0.100 25442 8170 1 17 . 1 1 26 26 ASP HA H 26 4.515 4.515 4.484 0.031 25442 8171 1 17 . 1 1 26 26 ASP CA C 26 58.005 58.005 56.765 1.240 25442 8172 1 17 . 1 1 26 26 ASP CB C 26 41.261 41.261 40.643 0.618 25442 8173 1 17 . 1 1 26 26 ASP H H 26 7.539 7.539 7.685 -0.146 25442 8174 1 17 . 1 1 27 27 ILE N N 27 118.686 118.686 120.588 -1.902 25442 8175 1 17 . 1 1 27 27 ILE HA H 27 3.609 3.609 3.809 -0.200 25442 8176 1 17 . 1 1 27 27 ILE CA C 27 65.348 65.348 65.249 0.099 25442 8177 1 17 . 1 1 27 27 ILE CB C 27 37.789 37.789 38.050 -0.261 25442 8178 1 17 . 1 1 27 27 ILE H H 27 7.832 7.832 8.090 -0.258 25442 8179 1 17 . 1 1 28 28 LEU N N 28 119.737 119.737 120.341 -0.604 25442 8180 1 17 . 1 1 28 28 LEU HA H 28 3.790 3.790 3.937 -0.147 25442 8181 1 17 . 1 1 28 28 LEU CA C 28 59.040 59.040 58.598 0.442 25442 8182 1 17 . 1 1 28 28 LEU CB C 28 42.520 42.520 41.690 0.830 25442 8183 1 17 . 1 1 28 28 LEU H H 28 8.731 8.731 8.268 0.463 25442 8184 1 17 . 1 1 29 29 THR N N 29 119.509 119.509 115.384 4.125 25442 8185 1 17 . 1 1 29 29 THR HA H 29 4.045 4.045 3.960 0.085 25442 8186 1 17 . 1 1 29 29 THR CA C 29 67.196 67.196 66.895 0.301 25442 8187 1 17 . 1 1 29 29 THR CB C 29 69.194 69.194 68.758 0.436 25442 8188 1 17 . 1 1 29 29 THR H H 29 8.251 8.251 7.809 0.442 25442 8189 1 17 . 1 1 30 30 VAL N N 30 117.974 117.974 121.248 -3.274 25442 8190 1 17 . 1 1 30 30 VAL HA H 30 3.869 3.869 3.765 0.104 25442 8191 1 17 . 1 1 30 30 VAL CA C 30 65.727 65.727 66.504 -0.777 25442 8192 1 17 . 1 1 30 30 VAL CB C 30 32.912 32.912 31.742 1.170 25442 8193 1 17 . 1 1 30 30 VAL H H 30 7.627 7.627 7.849 -0.222 25442 8194 1 17 . 1 1 31 31 PHE N N 31 113.937 113.937 117.633 -3.696 25442 8195 1 17 . 1 1 31 31 PHE HA H 31 3.908 3.908 4.767 -0.859 25442 8196 1 17 . 1 1 31 31 PHE CA C 31 62.044 62.044 60.118 1.926 25442 8197 1 17 . 1 1 31 31 PHE CB C 31 37.217 37.217 39.124 -1.907 25442 8198 1 17 . 1 1 31 31 PHE H H 31 8.903 8.903 8.750 0.153 25442 8199 1 17 . 1 1 32 32 SER N N 32 118.854 118.854 116.843 2.011 25442 8200 1 17 . 1 1 32 32 SER HA H 32 5.405 5.405 4.105 1.300 25442 8201 1 17 . 1 1 32 32 SER CA C 32 61.282 61.282 62.177 -0.895 25442 8202 1 17 . 1 1 32 32 SER CB C 32 64.055 64.055 62.998 1.057 25442 8203 1 17 . 1 1 32 32 SER H H 32 8.024 8.024 8.568 -0.544 25442 8204 1 17 . 1 1 33 33 GLU N N 33 121.203 121.203 120.925 0.278 25442 8205 1 17 . 1 1 33 33 GLU HA H 33 2.246 2.246 3.990 -1.744 25442 8206 1 17 . 1 1 33 33 GLU CA C 33 59.596 59.596 58.471 1.125 25442 8207 1 17 . 1 1 33 33 GLU H H 33 6.935 6.935 7.957 -1.022 25442 8208 1 17 . 1 1 34 34 TYR N N 34 108.039 108.039 118.922 -10.883 25442 8209 1 17 . 1 1 34 34 TYR HA H 34 4.953 4.953 4.529 0.424 25442 8210 1 17 . 1 1 34 34 TYR CA C 34 57.226 57.226 57.344 -0.118 25442 8211 1 17 . 1 1 34 34 TYR CB C 34 38.821 38.821 37.163 1.658 25442 8212 1 17 . 1 1 34 34 TYR H H 34 6.254 6.254 7.567 -1.313 25442 8213 1 17 . 1 1 35 35 GLY N N 35 103.601 103.601 107.090 -3.489 25442 8214 1 17 . 1 1 35 35 GLY CA C 35 44.594 44.594 44.603 -0.009 25442 8215 1 17 . 1 1 35 35 GLY H H 35 7.247 7.247 7.325 -0.078 25442 8216 1 17 . 1 1 36 36 VAL N N 36 120.482 120.482 122.870 -2.388 25442 8217 1 17 . 1 1 36 36 VAL HA H 36 4.537 4.537 4.121 0.416 25442 8218 1 17 . 1 1 36 36 VAL CA C 36 59.942 59.942 60.886 -0.944 25442 8219 1 17 . 1 1 36 36 VAL CB C 36 33.989 33.989 33.282 0.707 25442 8220 1 17 . 1 1 36 36 VAL H H 36 8.549 8.549 7.715 0.834 25442 8221 1 17 . 1 1 37 37 PRO HA H 37 4.543 4.543 4.232 0.311 25442 8222 1 17 . 1 1 37 37 PRO CA C 37 62.043 62.043 62.224 -0.181 25442 8223 1 17 . 1 1 37 37 PRO CB C 37 31.531 31.531 32.353 -0.822 25442 8224 1 17 . 1 1 38 38 VAL N N 38 118.566 118.566 114.767 3.799 25442 8225 1 17 . 1 1 38 38 VAL HA H 38 4.439 4.439 4.230 0.209 25442 8226 1 17 . 1 1 38 38 VAL CA C 38 61.064 61.064 62.504 -1.440 25442 8227 1 17 . 1 1 38 38 VAL CB C 38 32.842 32.842 32.642 0.200 25442 8228 1 17 . 1 1 38 38 VAL H H 38 9.099 9.099 8.175 0.924 25442 8229 1 17 . 1 1 39 39 ASP N N 39 118.912 118.912 118.480 0.432 25442 8230 1 17 . 1 1 39 39 ASP HA H 39 4.920 4.920 4.792 0.128 25442 8231 1 17 . 1 1 39 39 ASP CA C 39 54.860 54.860 54.026 0.834 25442 8232 1 17 . 1 1 39 39 ASP CB C 39 44.441 44.441 44.816 -0.375 25442 8233 1 17 . 1 1 39 39 ASP H H 39 7.300 7.300 7.581 -0.281 25442 8234 1 17 . 1 1 40 40 VAL N N 40 123.365 123.365 120.597 2.768 25442 8235 1 17 . 1 1 40 40 VAL HA H 40 4.759 4.759 4.396 0.363 25442 8236 1 17 . 1 1 40 40 VAL CA C 40 61.259 61.259 61.397 -0.138 25442 8237 1 17 . 1 1 40 40 VAL CB C 40 34.464 34.464 34.694 -0.230 25442 8238 1 17 . 1 1 40 40 VAL H H 40 8.052 8.052 8.390 -0.338 25442 8239 1 17 . 1 1 41 41 ILE N N 41 127.951 127.951 127.446 0.505 25442 8240 1 17 . 1 1 41 41 ILE HA H 41 4.361 4.361 4.428 -0.067 25442 8241 1 17 . 1 1 41 41 ILE CA C 41 60.204 60.204 60.495 -0.291 25442 8242 1 17 . 1 1 41 41 ILE CB C 41 41.220 41.220 40.107 1.113 25442 8243 1 17 . 1 1 41 41 ILE H H 41 9.031 9.031 8.920 0.111 25442 8244 1 17 . 1 1 42 42 LEU N N 42 130.034 130.034 129.288 0.746 25442 8245 1 17 . 1 1 42 42 LEU HA H 42 4.415 4.415 4.614 -0.199 25442 8246 1 17 . 1 1 42 42 LEU CA C 42 53.832 53.832 53.807 0.025 25442 8247 1 17 . 1 1 42 42 LEU CB C 42 44.353 44.353 44.239 0.115 25442 8248 1 17 . 1 1 42 42 LEU H H 42 8.935 8.935 8.685 0.250 25442 8249 1 17 . 1 1 43 43 SER N N 43 121.977 121.977 119.571 2.406 25442 8250 1 17 . 1 1 43 43 SER HA H 43 4.092 4.092 4.610 -0.518 25442 8251 1 17 . 1 1 43 43 SER CA C 43 59.298 59.298 59.345 -0.047 25442 8252 1 17 . 1 1 43 43 SER CB C 43 62.879 62.879 63.619 -0.740 25442 8253 1 17 . 1 1 43 43 SER H H 43 8.088 8.088 8.600 -0.512 25442 8254 1 17 . 1 1 44 44 ARG N N 44 125.852 125.852 121.735 4.117 25442 8255 1 17 . 1 1 44 44 ARG HA H 44 4.906 4.906 4.966 -0.060 25442 8256 1 17 . 1 1 44 44 ARG CA C 44 54.363 54.363 54.626 -0.263 25442 8257 1 17 . 1 1 44 44 ARG CB C 44 34.095 34.095 34.019 0.076 25442 8258 1 17 . 1 1 44 44 ARG H H 44 8.081 8.081 8.276 -0.195 25442 8259 1 17 . 1 1 45 45 ASP N N 45 123.150 123.150 122.945 0.205 25442 8260 1 17 . 1 1 45 45 ASP HA H 45 4.425 4.425 4.801 -0.376 25442 8261 1 17 . 1 1 45 45 ASP CA C 45 54.728 54.728 53.837 0.892 25442 8262 1 17 . 1 1 45 45 ASP CB C 45 43.318 43.318 41.917 1.401 25442 8263 1 17 . 1 1 45 45 ASP H H 45 8.594 8.594 8.470 0.124 25442 8264 1 17 . 1 1 46 46 GLU N N 46 127.786 127.786 124.244 3.542 25442 8265 1 17 . 1 1 46 46 GLU HA H 46 4.048 4.048 4.098 -0.050 25442 8266 1 17 . 1 1 46 46 GLU CA C 46 59.018 59.018 58.457 0.561 25442 8267 1 17 . 1 1 46 46 GLU CB C 46 29.870 29.870 29.293 0.577 25442 8268 1 17 . 1 1 46 46 GLU H H 46 9.250 9.250 8.869 0.381 25442 8269 1 17 . 1 1 47 47 ASN N N 47 116.105 116.105 117.973 -1.868 25442 8270 1 17 . 1 1 47 47 ASN HA H 47 4.825 4.825 4.557 0.268 25442 8271 1 17 . 1 1 47 47 ASN CA C 47 55.321 55.321 55.351 -0.030 25442 8272 1 17 . 1 1 47 47 ASN CB C 47 39.927 39.927 38.835 1.092 25442 8273 1 17 . 1 1 47 47 ASN H H 47 8.857 8.857 8.515 0.342 25442 8274 1 17 . 1 1 48 48 THR N N 48 108.395 108.395 108.439 -0.044 25442 8275 1 17 . 1 1 48 48 THR HA H 48 4.461 4.461 4.526 -0.065 25442 8276 1 17 . 1 1 48 48 THR CA C 48 61.883 61.883 62.193 -0.310 25442 8277 1 17 . 1 1 48 48 THR CB C 48 71.194 71.194 71.438 -0.244 25442 8278 1 17 . 1 1 48 48 THR H H 48 8.539 8.539 7.609 0.930 25442 8279 1 17 . 1 1 49 49 GLY N N 49 110.910 110.910 111.141 -0.231 25442 8280 1 17 . 1 1 49 49 GLY CA C 49 45.706 45.706 45.032 0.674 25442 8281 1 17 . 1 1 49 49 GLY H H 49 8.293 8.293 8.288 0.005 25442 8282 1 17 . 1 1 50 50 GLU N N 50 120.328 120.328 120.797 -0.469 25442 8283 1 17 . 1 1 50 50 GLU HA H 50 4.162 4.162 4.383 -0.221 25442 8284 1 17 . 1 1 50 50 GLU CA C 50 56.540 56.540 56.060 0.480 25442 8285 1 17 . 1 1 50 50 GLU CB C 50 30.948 30.948 30.659 0.289 25442 8286 1 17 . 1 1 50 50 GLU H H 50 7.854 7.854 7.919 -0.065 25442 8287 1 17 . 1 1 51 51 SER N N 51 117.235 117.235 118.407 -1.172 25442 8288 1 17 . 1 1 51 51 SER HA H 51 4.391 4.391 4.557 -0.166 25442 8289 1 17 . 1 1 51 51 SER CA C 51 58.361 58.361 59.577 -1.216 25442 8290 1 17 . 1 1 51 51 SER CB C 51 64.438 64.438 63.696 0.742 25442 8291 1 17 . 1 1 51 51 SER H H 51 8.950 8.950 8.577 0.373 25442 8292 1 17 . 1 1 52 52 GLN N N 52 122.996 122.996 123.466 -0.470 25442 8293 1 17 . 1 1 52 52 GLN HA H 52 4.516 4.516 4.292 0.224 25442 8294 1 17 . 1 1 52 52 GLN CA C 52 55.406 55.406 56.028 -0.622 25442 8295 1 17 . 1 1 52 52 GLN CB C 52 29.624 29.624 29.226 0.398 25442 8296 1 17 . 1 1 52 52 GLN H H 52 8.929 8.929 8.417 0.512 25442 8297 1 17 . 1 1 53 53 GLY N N 53 106.139 106.139 107.206 -1.067 25442 8298 1 17 . 1 1 53 53 GLY CA C 53 46.434 46.434 44.763 1.671 25442 8299 1 17 . 1 1 53 53 GLY H H 53 8.876 8.876 8.417 0.459 25442 8300 1 17 . 1 1 54 54 PHE N N 54 112.294 112.294 118.551 -6.257 25442 8301 1 17 . 1 1 54 54 PHE HA H 54 5.436 5.436 5.095 0.341 25442 8302 1 17 . 1 1 54 54 PHE CA C 54 55.464 55.464 54.860 0.604 25442 8303 1 17 . 1 1 54 54 PHE CB C 54 41.207 41.207 41.393 -0.186 25442 8304 1 17 . 1 1 54 54 PHE H H 54 6.938 6.938 7.130 -0.192 25442 8305 1 17 . 1 1 55 55 ALA N N 55 121.935 121.935 121.834 0.101 25442 8306 1 17 . 1 1 55 55 ALA HA H 55 5.051 5.051 4.729 0.322 25442 8307 1 17 . 1 1 55 55 ALA CA C 55 49.517 49.517 51.782 -2.265 25442 8308 1 17 . 1 1 55 55 ALA CB C 55 24.966 24.966 22.183 2.783 25442 8309 1 17 . 1 1 55 55 ALA H H 55 9.098 9.098 8.494 0.604 25442 8310 1 17 . 1 1 56 56 TYR N N 56 114.799 114.799 120.593 -5.794 25442 8311 1 17 . 1 1 56 56 TYR HA H 56 5.652 5.652 5.247 0.405 25442 8312 1 17 . 1 1 56 56 TYR CA C 56 56.128 56.128 56.595 -0.467 25442 8313 1 17 . 1 1 56 56 TYR CB C 56 42.405 42.405 41.006 1.399 25442 8314 1 17 . 1 1 56 56 TYR H H 56 8.572 8.572 9.091 -0.519 25442 8315 1 17 . 1 1 57 57 LEU N N 57 123.129 123.129 123.327 -0.198 25442 8316 1 17 . 1 1 57 57 LEU HA H 57 5.100 5.100 4.594 0.506 25442 8317 1 17 . 1 1 57 57 LEU CA C 57 54.552 54.552 54.279 0.273 25442 8318 1 17 . 1 1 57 57 LEU H H 57 8.600 8.600 9.146 -0.546 25442 8319 1 17 . 1 1 58 58 LYS N N 58 126.556 126.556 124.033 2.523 25442 8320 1 17 . 1 1 58 58 LYS HA H 58 4.553 4.553 4.135 0.418 25442 8321 1 17 . 1 1 58 58 LYS CA C 58 54.518 54.518 55.144 -0.625 25442 8322 1 17 . 1 1 58 58 LYS CB C 58 36.254 36.254 33.588 2.666 25442 8323 1 17 . 1 1 58 58 LYS H H 58 8.389 8.389 8.105 0.284 25442 8324 1 17 . 1 1 59 59 TYR N N 59 126.761 126.761 126.786 -0.025 25442 8325 1 17 . 1 1 59 59 TYR HA H 59 5.061 5.061 4.530 0.531 25442 8326 1 17 . 1 1 59 59 TYR CA C 59 58.271 58.271 57.298 0.973 25442 8327 1 17 . 1 1 59 59 TYR H H 59 9.035 9.035 7.928 1.107 25442 8328 1 17 . 1 1 60 60 GLU N N 60 120.097 120.097 122.445 -2.348 25442 8329 1 17 . 1 1 60 60 GLU HA H 60 3.890 3.890 4.005 -0.115 25442 8330 1 17 . 1 1 60 60 GLU CA C 60 59.244 59.244 58.068 1.176 25442 8331 1 17 . 1 1 60 60 GLU CB C 60 31.145 31.145 30.215 0.930 25442 8332 1 17 . 1 1 60 60 GLU H H 60 8.796 8.796 8.542 0.254 25442 8333 1 17 . 1 1 61 61 ASP N N 61 117.697 117.697 118.812 -1.115 25442 8334 1 17 . 1 1 61 61 ASP HA H 61 4.842 4.842 4.837 0.005 25442 8335 1 17 . 1 1 61 61 ASP CA C 61 51.550 51.550 53.156 -1.606 25442 8336 1 17 . 1 1 61 61 ASP CB C 61 43.258 43.258 41.782 1.476 25442 8337 1 17 . 1 1 61 61 ASP H H 61 8.006 8.006 8.077 -0.071 25442 8338 1 17 . 1 1 62 62 GLN N N 62 126.321 126.321 122.063 4.258 25442 8339 1 17 . 1 1 62 62 GLN HA H 62 4.223 4.223 4.106 0.117 25442 8340 1 17 . 1 1 62 62 GLN CA C 62 58.637 58.637 58.442 0.195 25442 8341 1 17 . 1 1 62 62 GLN CB C 62 27.994 27.994 28.879 -0.885 25442 8342 1 17 . 1 1 62 62 GLN H H 62 9.053 9.053 8.711 0.342 25442 8343 1 17 . 1 1 63 63 ARG N N 63 121.086 121.086 119.569 1.517 25442 8344 1 17 . 1 1 63 63 ARG HA H 63 3.654 3.654 4.115 -0.461 25442 8345 1 17 . 1 1 63 63 ARG CA C 63 58.971 58.971 59.431 -0.460 25442 8346 1 17 . 1 1 63 63 ARG H H 63 8.960 8.960 8.439 0.521 25442 8347 1 17 . 1 1 64 64 SER N N 64 114.891 114.891 114.126 0.765 25442 8348 1 17 . 1 1 64 64 SER HA H 64 3.704 3.704 4.405 -0.701 25442 8349 1 17 . 1 1 64 64 SER CA C 64 63.589 63.589 61.875 1.714 25442 8350 1 17 . 1 1 64 64 SER H H 64 8.143 8.143 8.394 -0.251 25442 8351 1 17 . 1 1 65 65 THR N N 65 111.019 111.019 115.634 -4.615 25442 8352 1 17 . 1 1 65 65 THR HA H 65 3.765 3.765 3.812 -0.047 25442 8353 1 17 . 1 1 65 65 THR CA C 65 66.198 66.198 65.483 0.715 25442 8354 1 17 . 1 1 65 65 THR CB C 65 68.461 68.461 68.053 0.408 25442 8355 1 17 . 1 1 65 65 THR H H 65 7.633 7.633 7.698 -0.065 25442 8356 1 17 . 1 1 66 66 ILE N N 66 123.242 123.242 121.614 1.628 25442 8357 1 17 . 1 1 66 66 ILE HA H 66 3.673 3.673 3.850 -0.177 25442 8358 1 17 . 1 1 66 66 ILE CA C 66 64.506 64.506 64.919 -0.414 25442 8359 1 17 . 1 1 66 66 ILE CB C 66 38.668 38.668 37.752 0.916 25442 8360 1 17 . 1 1 66 66 ILE H H 66 6.648 6.648 7.380 -0.732 25442 8361 1 17 . 1 1 67 67 LEU N N 67 113.375 113.375 120.201 -6.826 25442 8362 1 17 . 1 1 67 67 LEU HA H 67 3.627 3.627 3.930 -0.303 25442 8363 1 17 . 1 1 67 67 LEU CA C 67 57.678 57.678 58.065 -0.387 25442 8364 1 17 . 1 1 67 67 LEU CB C 67 41.866 41.866 41.539 0.327 25442 8365 1 17 . 1 1 67 67 LEU H H 67 6.899 6.899 7.674 -0.775 25442 8366 1 17 . 1 1 68 68 ALA N N 68 120.327 120.327 121.039 -0.712 25442 8367 1 17 . 1 1 68 68 ALA HA H 68 3.406 3.406 3.548 -0.142 25442 8368 1 17 . 1 1 68 68 ALA CA C 68 55.643 55.643 54.936 0.707 25442 8369 1 17 . 1 1 68 68 ALA CB C 68 19.395 19.395 18.116 1.279 25442 8370 1 17 . 1 1 68 68 ALA H H 68 8.201 8.201 7.798 0.403 25442 8371 1 17 . 1 1 69 69 VAL N N 69 118.977 118.977 119.896 -0.919 25442 8372 1 17 . 1 1 69 69 VAL HA H 69 3.221 3.221 3.532 -0.311 25442 8373 1 17 . 1 1 69 69 VAL CA C 69 67.039 67.039 66.867 0.172 25442 8374 1 17 . 1 1 69 69 VAL CB C 69 31.896 31.896 31.315 0.581 25442 8375 1 17 . 1 1 69 69 VAL H H 69 8.235 8.235 7.869 0.366 25442 8376 1 17 . 1 1 70 70 ASP N N 70 116.894 116.894 117.929 -1.035 25442 8377 1 17 . 1 1 70 70 ASP HA H 70 3.941 3.941 4.351 -0.410 25442 8378 1 17 . 1 1 70 70 ASP CA C 70 57.576 57.576 56.865 0.711 25442 8379 1 17 . 1 1 70 70 ASP CB C 70 39.037 39.037 40.311 -1.274 25442 8380 1 17 . 1 1 70 70 ASP H H 70 8.152 8.152 7.855 0.297 25442 8381 1 17 . 1 1 71 71 ASN N N 71 110.936 110.936 116.699 -5.763 25442 8382 1 17 . 1 1 71 71 ASN HA H 71 5.009 5.009 4.424 0.585 25442 8383 1 17 . 1 1 71 71 ASN CA C 71 55.710 55.710 54.998 0.712 25442 8384 1 17 . 1 1 71 71 ASN CB C 71 42.091 42.091 38.240 3.851 25442 8385 1 17 . 1 1 71 71 ASN H H 71 7.562 7.562 8.178 -0.616 25442 8386 1 17 . 1 1 72 72 LEU N N 72 116.460 116.460 117.488 -1.028 25442 8387 1 17 . 1 1 72 72 LEU HA H 72 4.686 4.686 4.251 0.435 25442 8388 1 17 . 1 1 72 72 LEU CA C 72 54.411 54.411 55.732 -1.321 25442 8389 1 17 . 1 1 72 72 LEU CB C 72 42.477 42.477 41.476 1.001 25442 8390 1 17 . 1 1 72 72 LEU H H 72 8.406 8.406 8.087 0.319 25442 8391 1 17 . 1 1 73 73 ASN N N 73 118.618 118.618 118.236 0.382 25442 8392 1 17 . 1 1 73 73 ASN HA H 73 4.419 4.419 4.462 -0.043 25442 8393 1 17 . 1 1 73 73 ASN CA C 73 56.716 56.716 54.939 1.777 25442 8394 1 17 . 1 1 73 73 ASN CB C 73 39.452 39.452 38.421 1.031 25442 8395 1 17 . 1 1 73 73 ASN H H 73 6.956 6.956 8.010 -1.054 25442 8396 1 17 . 1 1 74 74 GLY N N 74 116.095 116.095 113.951 2.144 25442 8397 1 17 . 1 1 74 74 GLY CA C 74 45.912 45.912 44.925 0.987 25442 8398 1 17 . 1 1 74 74 GLY H H 74 9.379 9.379 8.699 0.680 25442 8399 1 17 . 1 1 75 75 PHE N N 75 123.354 123.354 123.999 -0.645 25442 8400 1 17 . 1 1 75 75 PHE HA H 75 4.311 4.311 4.595 -0.284 25442 8401 1 17 . 1 1 75 75 PHE CA C 75 58.979 58.979 56.417 2.562 25442 8402 1 17 . 1 1 75 75 PHE CB C 75 41.709 41.709 40.091 1.618 25442 8403 1 17 . 1 1 75 75 PHE H H 75 8.211 8.211 7.847 0.364 25442 8404 1 17 . 1 1 76 76 LYS N N 76 127.267 127.267 126.657 0.610 25442 8405 1 17 . 1 1 76 76 LYS HA H 76 4.598 4.598 4.277 0.321 25442 8406 1 17 . 1 1 76 76 LYS CA C 76 56.529 56.529 55.332 1.197 25442 8407 1 17 . 1 1 76 76 LYS CB C 76 33.073 33.073 32.600 0.473 25442 8408 1 17 . 1 1 76 76 LYS H H 76 7.648 7.648 8.179 -0.531 25442 8409 1 17 . 1 1 77 77 ILE N N 77 121.576 121.576 122.968 -1.392 25442 8410 1 17 . 1 1 77 77 ILE HA H 77 4.406 4.406 3.955 0.451 25442 8411 1 17 . 1 1 77 77 ILE CA C 77 60.214 60.214 60.772 -0.558 25442 8412 1 17 . 1 1 77 77 ILE CB C 77 40.048 40.048 40.432 -0.384 25442 8413 1 17 . 1 1 77 77 ILE H H 77 8.100 8.100 8.706 -0.606 25442 8414 1 17 . 1 1 78 78 GLY CA C 78 47.118 47.118 45.238 1.880 25442 8415 1 17 . 1 1 79 79 GLY CA C 79 45.171 45.171 44.897 0.274 25442 8416 1 17 . 1 1 80 80 ARG N N 80 119.377 119.377 119.427 -0.050 25442 8417 1 17 . 1 1 80 80 ARG HA H 80 4.650 4.650 4.566 0.084 25442 8418 1 17 . 1 1 80 80 ARG CA C 80 54.849 54.849 54.081 0.768 25442 8419 1 17 . 1 1 80 80 ARG CB C 80 33.411 33.411 33.970 -0.559 25442 8420 1 17 . 1 1 80 80 ARG H H 80 7.379 7.379 7.413 -0.034 25442 8421 1 17 . 1 1 81 81 ALA N N 81 126.782 126.782 125.523 1.259 25442 8422 1 17 . 1 1 81 81 ALA HA H 81 4.137 4.137 4.678 -0.540 25442 8423 1 17 . 1 1 81 81 ALA CA C 81 51.454 51.454 50.850 0.604 25442 8424 1 17 . 1 1 81 81 ALA CB C 81 19.131 19.131 19.199 -0.068 25442 8425 1 17 . 1 1 81 81 ALA H H 81 8.734 8.734 8.490 0.244 25442 8426 1 17 . 1 1 82 82 LEU N N 82 125.769 125.769 122.776 2.993 25442 8427 1 17 . 1 1 82 82 LEU HA H 82 4.390 4.390 4.791 -0.401 25442 8428 1 17 . 1 1 82 82 LEU CA C 82 56.196 56.196 54.616 1.580 25442 8429 1 17 . 1 1 82 82 LEU CB C 82 43.362 43.362 42.621 0.741 25442 8430 1 17 . 1 1 82 82 LEU H H 82 8.736 8.736 8.254 0.482 25442 8431 1 17 . 1 1 83 83 LYS N N 83 123.851 123.851 120.954 2.897 25442 8432 1 17 . 1 1 83 83 LYS HA H 83 5.005 5.005 4.633 0.372 25442 8433 1 17 . 1 1 83 83 LYS CA C 83 54.790 54.790 54.821 -0.031 25442 8434 1 17 . 1 1 83 83 LYS CB C 83 34.212 34.212 35.017 -0.805 25442 8435 1 17 . 1 1 83 83 LYS H H 83 7.838 7.838 8.459 -0.621 25442 8436 1 17 . 1 1 84 84 ILE N N 84 125.629 125.629 127.397 -1.768 25442 8437 1 17 . 1 1 84 84 ILE HA H 84 5.576 5.576 4.812 0.764 25442 8438 1 17 . 1 1 84 84 ILE CA C 84 58.513 58.513 59.049 -0.536 25442 8439 1 17 . 1 1 84 84 ILE CB C 84 40.310 40.310 37.492 2.818 25442 8440 1 17 . 1 1 84 84 ILE H H 84 8.727 8.727 8.617 0.110 25442 8441 1 17 . 1 1 85 85 ASP N N 85 124.427 124.427 127.308 -2.881 25442 8442 1 17 . 1 1 85 85 ASP HA H 85 5.094 5.094 4.983 0.111 25442 8443 1 17 . 1 1 85 85 ASP CA C 85 52.697 52.697 51.794 0.903 25442 8444 1 17 . 1 1 85 85 ASP CB C 85 45.574 45.574 44.595 0.979 25442 8445 1 17 . 1 1 85 85 ASP H H 85 8.960 8.960 8.738 0.222 25442 8446 1 17 . 1 1 86 86 HIS N N 86 121.356 121.356 123.432 -2.076 25442 8447 1 17 . 1 1 86 86 HIS HA H 86 4.635 4.635 4.422 0.213 25442 8448 1 17 . 1 1 86 86 HIS CA C 86 58.158 58.158 56.732 1.426 25442 8449 1 17 . 1 1 86 86 HIS CB C 86 31.368 31.368 30.487 0.881 25442 8450 1 17 . 1 1 86 86 HIS H H 86 8.783 8.783 8.586 0.197 25442 8451 1 17 . 1 1 87 87 THR N N 87 114.331 114.331 118.902 -4.571 25442 8452 1 17 . 1 1 87 87 THR HA H 87 4.691 4.691 4.589 0.102 25442 8453 1 17 . 1 1 87 87 THR CA C 87 60.890 60.890 61.392 -0.502 25442 8454 1 17 . 1 1 87 87 THR CB C 87 70.215 70.215 70.955 -0.740 25442 8455 1 17 . 1 1 87 87 THR H H 87 8.032 8.032 8.839 -0.807 25442 8456 1 17 . 1 1 88 88 PHE N N 88 118.673 118.673 123.568 -4.895 25442 8457 1 17 . 1 1 88 88 PHE HA H 88 4.305 4.305 4.733 -0.428 25442 8458 1 17 . 1 1 88 88 PHE CA C 88 58.926 58.926 57.324 1.602 25442 8459 1 17 . 1 1 88 88 PHE CB C 88 39.673 39.673 39.707 -0.034 25442 8460 1 17 . 1 1 88 88 PHE H H 88 8.233 8.233 8.896 -0.663 25442 8461 1 17 . 1 1 89 89 TYR N N 89 124.182 124.182 123.073 1.109 25442 8462 1 17 . 1 1 89 89 TYR HA H 89 4.193 4.193 4.149 0.044 25442 8463 1 17 . 1 1 89 89 TYR CA C 89 58.510 58.510 58.320 0.190 25442 8464 1 17 . 1 1 89 89 TYR CB C 89 39.993 39.993 38.778 1.215 25442 8465 1 17 . 1 1 89 89 TYR H H 89 8.246 8.246 7.796 0.450 25442 8466 1 17 . 1 1 90 90 ARG N N 90 125.111 125.111 127.735 -2.624 25442 8467 1 17 . 1 1 90 90 ARG HA H 90 4.219 4.219 4.170 0.049 25442 8468 1 17 . 1 1 90 90 ARG CA C 90 52.511 52.511 53.290 -0.779 25442 8469 1 17 . 1 1 90 90 ARG CB C 90 31.298 31.298 29.819 1.479 25442 8470 1 17 . 1 1 90 90 ARG H H 90 7.223 7.223 7.788 -0.565 25442 8471 1 17 . 1 1 91 91 PRO HA H 91 4.028 4.028 4.417 -0.389 25442 8472 1 17 . 1 1 91 91 PRO CA C 91 62.759 62.759 62.485 0.274 25442 8473 1 17 . 1 1 91 91 PRO CB C 91 32.074 32.074 32.289 -0.215 25442 8474 1 17 . 1 1 94 94 SER HA H 94 4.466 4.466 4.547 -0.081 25442 8475 1 17 . 1 1 94 94 SER CA C 94 58.273 58.273 57.657 0.616 25442 8476 1 17 . 1 1 94 94 SER CB C 94 63.656 63.656 64.240 -0.585 25442 8477 1 17 . 1 1 95 95 LEU HA H 95 4.369 4.369 4.510 -0.141 25442 8478 1 17 . 1 1 95 95 LEU CA C 95 55.482 55.482 55.972 -0.490 25442 8479 1 17 . 1 1 95 95 LEU CB C 95 42.350 42.350 42.461 -0.111 25442 8480 1 17 . 1 1 97 97 LYS HA H 97 4.197 4.197 4.017 0.180 25442 8481 1 17 . 1 1 97 97 LYS CA C 97 56.923 56.923 57.377 -0.454 25442 8482 1 17 . 1 1 97 97 LYS CB C 97 32.936 32.936 31.718 1.218 25442 8483 1 17 . 1 1 98 98 TYR N N 98 120.486 120.486 119.978 0.508 25442 8484 1 17 . 1 1 98 98 TYR HA H 98 4.477 4.477 4.671 -0.194 25442 8485 1 17 . 1 1 98 98 TYR CA C 98 58.249 58.249 57.239 1.010 25442 8486 1 17 . 1 1 98 98 TYR CB C 98 38.659 38.659 38.875 -0.216 25442 8487 1 17 . 1 1 98 98 TYR H H 98 7.979 7.979 7.789 0.190 25442 8488 1 17 . 1 1 99 99 TYR N N 99 120.784 120.784 125.851 -5.067 25442 8489 1 17 . 1 1 99 99 TYR HA H 99 4.455 4.455 4.020 0.435 25442 8490 1 17 . 1 1 99 99 TYR CA C 99 58.281 58.281 59.447 -1.166 25442 8491 1 17 . 1 1 99 99 TYR CB C 99 38.902 38.902 39.023 -0.121 25442 8492 1 17 . 1 1 99 99 TYR H H 99 7.918 7.918 8.183 -0.265 25442 8493 1 17 . 1 1 100 100 GLU N N 100 122.033 122.033 120.387 1.646 25442 8494 1 17 . 1 1 100 100 GLU HA H 100 4.171 4.171 3.970 0.201 25442 8495 1 17 . 1 1 100 100 GLU CA C 100 56.766 56.766 59.396 -2.630 25442 8496 1 17 . 1 1 100 100 GLU H H 100 8.055 8.055 8.733 -0.678 25442 8497 1 17 . 1 1 101 101 ALA N N 101 124.629 124.629 123.140 1.489 25442 8498 1 17 . 1 1 101 101 ALA HA H 101 4.283 4.283 4.037 0.246 25442 8499 1 17 . 1 1 101 101 ALA CA C 101 52.795 52.795 55.285 -2.490 25442 8500 1 17 . 1 1 101 101 ALA CB C 101 19.150 19.150 18.199 0.951 25442 8501 1 17 . 1 1 101 101 ALA H H 101 8.040 8.040 8.309 -0.269 25442 8502 1 17 . 1 1 102 102 VAL N N 102 119.031 119.031 119.207 -0.176 25442 8503 1 17 . 1 1 102 102 VAL HA H 102 4.039 4.039 3.835 0.204 25442 8504 1 17 . 1 1 102 102 VAL CA C 102 62.675 62.675 65.150 -2.475 25442 8505 1 17 . 1 1 102 102 VAL CB C 102 32.610 32.610 31.212 1.398 25442 8506 1 17 . 1 1 102 102 VAL H H 102 7.960 7.960 7.748 0.212 25442 8507 1 17 . 1 1 103 103 LYS N N 103 124.562 124.562 120.101 4.461 25442 8508 1 17 . 1 1 103 103 LYS HA H 103 4.258 4.258 3.735 0.523 25442 8509 1 17 . 1 1 103 103 LYS CA C 103 56.797 56.797 59.881 -3.084 25442 8510 1 17 . 1 1 103 103 LYS CB C 103 33.012 33.012 31.984 1.028 25442 8511 1 17 . 1 1 103 103 LYS H H 103 8.207 8.207 7.377 0.830 25442 8512 1 17 . 1 1 104 104 GLU N N 104 121.722 121.722 118.770 2.952 25442 8513 1 17 . 1 1 104 104 GLU HA H 104 4.263 4.263 4.060 0.203 25442 8514 1 17 . 1 1 104 104 GLU CA C 104 57.034 57.034 58.942 -1.908 25442 8515 1 17 . 1 1 104 104 GLU CB C 104 30.351 30.351 29.599 0.752 25442 8516 1 17 . 1 1 104 104 GLU H H 104 8.325 8.325 8.193 0.132 25442 8517 1 17 . 1 1 105 105 GLU N N 105 121.479 121.479 119.553 1.926 25442 8518 1 17 . 1 1 105 105 GLU HA H 105 4.264 4.264 4.069 0.195 25442 8519 1 17 . 1 1 105 105 GLU CA C 105 56.802 56.802 58.865 -2.063 25442 8520 1 17 . 1 1 105 105 GLU CB C 105 30.351 30.351 30.044 0.307 25442 8521 1 17 . 1 1 105 105 GLU H H 105 8.288 8.288 7.854 0.434 25442 8522 1 17 . 1 1 106 106 LEU N N 106 122.549 122.549 114.128 8.421 25442 8523 1 17 . 1 1 106 106 LEU HA H 106 4.316 4.316 4.461 -0.145 25442 8524 1 17 . 1 1 106 106 LEU CA C 106 55.545 55.545 55.378 0.167 25442 8525 1 17 . 1 1 106 106 LEU CB C 106 42.538 42.538 42.793 -0.255 25442 8526 1 17 . 1 1 106 106 LEU H H 106 8.154 8.154 7.594 0.560 25442 8527 1 17 . 1 1 107 107 ASP N N 107 120.656 120.656 120.673 -0.017 25442 8528 1 17 . 1 1 107 107 ASP HA H 107 4.587 4.587 4.286 0.301 25442 8529 1 17 . 1 1 107 107 ASP CA C 107 54.715 54.715 56.160 -1.445 25442 8530 1 17 . 1 1 107 107 ASP CB C 107 41.125 41.125 41.050 0.075 25442 8531 1 17 . 1 1 107 107 ASP H H 107 8.273 8.273 8.110 0.163 25442 8532 1 17 . 1 1 108 108 ARG N N 108 120.710 120.710 117.921 2.789 25442 8533 1 17 . 1 1 108 108 ARG HA H 108 4.272 4.272 4.342 -0.070 25442 8534 1 17 . 1 1 108 108 ARG CA C 108 56.778 56.778 57.016 -0.238 25442 8535 1 17 . 1 1 108 108 ARG CB C 108 30.835 30.835 30.828 0.007 25442 8536 1 17 . 1 1 108 108 ARG H H 108 8.041 8.041 8.497 -0.456 25442 8537 1 17 . 1 1 109 109 ASP N N 109 120.647 120.647 119.495 1.152 25442 8538 1 17 . 1 1 109 109 ASP CA C 109 54.862 54.862 53.749 1.113 25442 8539 1 17 . 1 1 109 109 ASP H H 109 8.331 8.331 8.467 -0.136 25442 8540 1 17 . 1 1 110 110 ILE N N 110 120.220 120.220 122.146 -1.926 25442 8541 1 17 . 1 1 110 110 ILE HA H 110 4.140 4.140 4.187 -0.047 25442 8542 1 17 . 1 1 110 110 ILE CA C 110 61.760 61.760 61.219 0.541 25442 8543 1 17 . 1 1 110 110 ILE CB C 110 38.643 38.643 37.075 1.568 25442 8544 1 17 . 1 1 110 110 ILE H H 110 7.910 7.910 7.985 -0.075 25442 8545 1 17 . 1 1 111 111 VAL N N 111 122.698 122.698 121.376 1.322 25442 8546 1 17 . 1 1 111 111 VAL HA H 111 4.095 4.095 4.257 -0.162 25442 8547 1 17 . 1 1 111 111 VAL CA C 111 62.982 62.982 61.698 1.284 25442 8548 1 17 . 1 1 111 111 VAL CB C 111 32.438 32.438 32.616 -0.178 25442 8549 1 17 . 1 1 111 111 VAL H H 111 8.018 8.018 8.252 -0.234 25442 8550 1 17 . 1 1 112 112 SER HA H 112 4.439 4.439 4.121 0.318 25442 8551 1 17 . 1 1 112 112 SER CA C 112 58.581 58.581 59.977 -1.396 25442 8552 1 17 . 1 1 112 112 SER CB C 112 63.717 63.717 62.099 1.618 25442 8553 1 17 . 1 1 114 114 ASN HA H 114 4.690 4.690 4.479 0.211 25442 8554 1 17 . 1 1 114 114 ASN CA C 114 53.462 53.462 54.329 -0.867 25442 8555 1 17 . 1 1 114 114 ASN CB C 114 39.073 39.073 37.106 1.967 25442 8556 1 17 . 1 1 115 115 ASN HA H 115 4.690 4.690 4.447 0.243 25442 8557 1 17 . 1 1 115 115 ASN CA C 115 53.476 53.476 53.806 -0.330 25442 8558 1 17 . 1 1 115 115 ASN CB C 115 39.073 39.073 36.996 2.077 25442 8559 1 17 . 1 1 116 116 ALA N N 116 123.691 123.691 120.989 2.702 25442 8560 1 17 . 1 1 116 116 ALA HA H 116 4.355 4.355 4.528 -0.173 25442 8561 1 17 . 1 1 116 116 ALA CA C 116 52.748 52.748 51.952 0.796 25442 8562 1 17 . 1 1 116 116 ALA CB C 116 19.559 19.559 21.890 -2.331 25442 8563 1 17 . 1 1 116 116 ALA H H 116 8.144 8.144 7.713 0.431 25442 8564 1 17 . 1 1 117 117 GLU N N 117 120.174 120.174 120.732 -0.558 25442 8565 1 17 . 1 1 117 117 GLU HA H 117 4.284 4.284 4.598 -0.314 25442 8566 1 17 . 1 1 117 117 GLU CA C 117 56.731 56.731 55.306 1.425 25442 8567 1 17 . 1 1 117 117 GLU CB C 117 29.944 29.944 31.902 -1.958 25442 8568 1 17 . 1 1 117 117 GLU H H 117 8.234 8.234 8.460 -0.226 25442 8569 1 18 . 1 1 2 2 ALA HA H 2 4.335 4.335 4.616 -0.281 25442 8570 1 18 . 1 1 2 2 ALA CA C 2 53.634 53.634 51.836 1.798 25442 8571 1 18 . 1 1 2 2 ALA CB C 2 19.441 19.441 20.211 -0.770 25442 8572 1 18 . 1 1 3 3 MET N N 3 120.791 120.791 119.364 1.427 25442 8573 1 18 . 1 1 3 3 MET HA H 3 4.499 4.499 4.225 0.274 25442 8574 1 18 . 1 1 3 3 MET CA C 3 55.772 55.772 55.702 0.070 25442 8575 1 18 . 1 1 3 3 MET CB C 3 32.968 32.968 31.624 1.344 25442 8576 1 18 . 1 1 3 3 MET H H 3 8.636 8.636 8.443 0.193 25442 8577 1 18 . 1 1 4 4 GLY N N 4 109.879 109.879 107.116 2.763 25442 8578 1 18 . 1 1 4 4 GLY CA C 4 45.531 45.531 44.644 0.887 25442 8579 1 18 . 1 1 4 4 GLY H H 4 8.391 8.391 7.996 0.395 25442 8580 1 18 . 1 1 5 5 ASN N N 5 124.309 124.309 116.759 7.550 25442 8581 1 18 . 1 1 5 5 ASN HA H 5 4.661 4.661 4.947 -0.286 25442 8582 1 18 . 1 1 5 5 ASN CA C 5 53.419 53.419 52.087 1.332 25442 8583 1 18 . 1 1 5 5 ASN CB C 5 39.059 39.059 40.644 -1.585 25442 8584 1 18 . 1 1 5 5 ASN H H 5 7.954 7.954 8.276 -0.322 25442 8585 1 18 . 1 1 7 7 TYR N N 7 120.088 120.088 117.553 2.535 25442 8586 1 18 . 1 1 7 7 TYR HA H 7 4.463 4.463 4.554 -0.091 25442 8587 1 18 . 1 1 7 7 TYR CA C 7 58.098 58.098 58.064 0.034 25442 8588 1 18 . 1 1 7 7 TYR CB C 7 38.252 38.252 39.877 -1.625 25442 8589 1 18 . 1 1 7 7 TYR H H 7 8.013 8.013 7.690 0.323 25442 8590 1 18 . 1 1 8 8 LYS N N 8 121.766 121.766 123.685 -1.919 25442 8591 1 18 . 1 1 8 8 LYS HA H 8 4.174 4.174 4.334 -0.160 25442 8592 1 18 . 1 1 8 8 LYS CA C 8 56.835 56.835 55.577 1.258 25442 8593 1 18 . 1 1 8 8 LYS CB C 8 32.997 32.997 33.908 -0.911 25442 8594 1 18 . 1 1 8 8 LYS H H 8 7.845 7.845 7.352 0.493 25442 8595 1 18 . 1 1 9 9 ASP N N 9 119.739 119.739 119.223 0.516 25442 8596 1 18 . 1 1 9 9 ASP HA H 9 4.477 4.477 4.521 -0.044 25442 8597 1 18 . 1 1 9 9 ASP CA C 9 54.660 54.660 53.537 1.123 25442 8598 1 18 . 1 1 9 9 ASP CB C 9 41.100 41.100 40.493 0.607 25442 8599 1 18 . 1 1 9 9 ASP H H 9 8.043 8.043 8.367 -0.324 25442 8600 1 18 . 1 1 10 10 ASN N N 10 119.260 119.260 117.510 1.750 25442 8601 1 18 . 1 1 10 10 ASN HA H 10 4.875 4.875 4.437 0.438 25442 8602 1 18 . 1 1 10 10 ASN CA C 10 53.255 53.255 52.578 0.677 25442 8603 1 18 . 1 1 10 10 ASN CB C 10 39.105 39.105 38.409 0.696 25442 8604 1 18 . 1 1 10 10 ASN H H 10 8.174 8.174 7.915 0.259 25442 8605 1 18 . 1 1 11 11 ALA N N 11 122.869 122.869 122.243 0.626 25442 8606 1 18 . 1 1 11 11 ALA HA H 11 4.544 4.544 4.314 0.230 25442 8607 1 18 . 1 1 11 11 ALA CA C 11 52.866 52.866 52.213 0.653 25442 8608 1 18 . 1 1 11 11 ALA H H 11 8.299 8.299 7.366 0.933 25442 8609 1 18 . 1 1 12 12 TYR N N 12 117.351 117.351 118.942 -1.591 25442 8610 1 18 . 1 1 12 12 TYR HA H 12 5.220 5.220 5.187 0.033 25442 8611 1 18 . 1 1 12 12 TYR CA C 12 57.621 57.621 56.503 1.118 25442 8612 1 18 . 1 1 12 12 TYR CB C 12 41.631 41.631 42.867 -1.236 25442 8613 1 18 . 1 1 12 12 TYR H H 12 8.340 8.340 8.094 0.246 25442 8614 1 18 . 1 1 13 13 ILE N N 13 112.184 112.184 120.681 -8.497 25442 8615 1 18 . 1 1 13 13 ILE HA H 13 5.052 5.052 4.547 0.505 25442 8616 1 18 . 1 1 13 13 ILE CA C 13 59.995 59.995 60.887 -0.892 25442 8617 1 18 . 1 1 13 13 ILE CB C 13 40.418 40.418 38.793 1.625 25442 8618 1 18 . 1 1 13 13 ILE H H 13 9.216 9.216 8.649 0.567 25442 8619 1 18 . 1 1 14 14 TYR N N 14 123.504 123.504 130.264 -6.760 25442 8620 1 18 . 1 1 14 14 TYR HA H 14 4.690 4.690 4.592 0.098 25442 8621 1 18 . 1 1 14 14 TYR CA C 14 56.688 56.688 58.021 -1.333 25442 8622 1 18 . 1 1 14 14 TYR CB C 14 40.564 40.564 39.463 1.101 25442 8623 1 18 . 1 1 14 14 TYR H H 14 9.086 9.086 9.308 -0.222 25442 8624 1 18 . 1 1 15 15 ILE N N 15 127.611 127.611 128.556 -0.945 25442 8625 1 18 . 1 1 15 15 ILE HA H 15 4.288 4.288 4.744 -0.456 25442 8626 1 18 . 1 1 15 15 ILE CA C 15 59.654 59.654 59.963 -0.309 25442 8627 1 18 . 1 1 15 15 ILE CB C 15 40.260 40.260 39.256 1.004 25442 8628 1 18 . 1 1 15 15 ILE H H 15 8.448 8.448 7.867 0.581 25442 8629 1 18 . 1 1 16 16 GLY N N 16 112.660 112.660 112.666 -0.006 25442 8630 1 18 . 1 1 16 16 GLY CA C 16 43.240 43.240 42.859 0.381 25442 8631 1 18 . 1 1 16 16 GLY H H 16 9.438 9.438 8.536 0.902 25442 8632 1 18 . 1 1 17 17 ASN N N 17 114.980 114.980 115.679 -0.699 25442 8633 1 18 . 1 1 17 17 ASN HA H 17 4.439 4.439 4.326 0.113 25442 8634 1 18 . 1 1 17 17 ASN CA C 17 53.251 53.251 53.765 -0.514 25442 8635 1 18 . 1 1 17 17 ASN CB C 17 38.259 38.259 38.189 0.070 25442 8636 1 18 . 1 1 17 17 ASN H H 17 8.497 8.497 8.721 -0.224 25442 8637 1 18 . 1 1 18 18 LEU N N 18 115.182 115.182 120.173 -4.991 25442 8638 1 18 . 1 1 18 18 LEU HA H 18 4.068 4.068 4.576 -0.508 25442 8639 1 18 . 1 1 18 18 LEU CA C 18 54.073 54.073 54.326 -0.253 25442 8640 1 18 . 1 1 18 18 LEU CB C 18 42.912 42.912 43.473 -0.561 25442 8641 1 18 . 1 1 18 18 LEU H H 18 7.859 7.859 7.913 -0.054 25442 8642 1 18 . 1 1 19 19 ASN N N 19 122.392 122.392 123.872 -1.480 25442 8643 1 18 . 1 1 19 19 ASN HA H 19 4.464 4.464 4.745 -0.281 25442 8644 1 18 . 1 1 19 19 ASN CA C 19 54.087 54.087 52.505 1.581 25442 8645 1 18 . 1 1 19 19 ASN CB C 19 38.703 38.703 39.902 -1.199 25442 8646 1 18 . 1 1 19 19 ASN H H 19 8.727 8.727 8.780 -0.053 25442 8647 1 18 . 1 1 20 20 ARG N N 20 126.283 126.283 124.496 1.787 25442 8648 1 18 . 1 1 20 20 ARG HA H 20 3.937 3.937 4.027 -0.090 25442 8649 1 18 . 1 1 20 20 ARG CA C 20 58.719 58.719 58.671 0.048 25442 8650 1 18 . 1 1 20 20 ARG CB C 20 29.719 29.719 29.723 -0.004 25442 8651 1 18 . 1 1 20 20 ARG H H 20 8.940 8.940 8.620 0.320 25442 8652 1 18 . 1 1 21 21 GLU N N 21 117.166 117.166 117.690 -0.524 25442 8653 1 18 . 1 1 21 21 GLU HA H 21 4.321 4.321 4.179 0.142 25442 8654 1 18 . 1 1 21 21 GLU CA C 21 56.778 56.778 57.487 -0.709 25442 8655 1 18 . 1 1 21 21 GLU H H 21 8.867 8.867 8.178 0.689 25442 8656 1 18 . 1 1 22 22 LEU N N 22 119.643 119.643 121.139 -1.496 25442 8657 1 18 . 1 1 22 22 LEU HA H 22 4.540 4.540 4.407 0.133 25442 8658 1 18 . 1 1 22 22 LEU CA C 22 55.505 55.505 54.739 0.766 25442 8659 1 18 . 1 1 22 22 LEU CB C 22 42.251 42.251 42.208 0.043 25442 8660 1 18 . 1 1 22 22 LEU H H 22 7.324 7.324 7.637 -0.313 25442 8661 1 18 . 1 1 23 23 THR N N 23 114.564 114.564 116.215 -1.651 25442 8662 1 18 . 1 1 23 23 THR HA H 23 4.483 4.483 4.513 -0.030 25442 8663 1 18 . 1 1 23 23 THR CA C 23 60.155 60.155 59.733 0.422 25442 8664 1 18 . 1 1 23 23 THR CB C 23 73.000 73.000 71.082 1.918 25442 8665 1 18 . 1 1 23 23 THR H H 23 9.483 9.483 8.193 1.290 25442 8666 1 18 . 1 1 24 24 GLU N N 24 120.458 120.458 120.948 -0.490 25442 8667 1 18 . 1 1 24 24 GLU HA H 24 3.604 3.604 4.053 -0.449 25442 8668 1 18 . 1 1 24 24 GLU CA C 24 62.158 62.158 59.901 2.257 25442 8669 1 18 . 1 1 24 24 GLU H H 24 10.410 10.410 8.894 1.516 25442 8670 1 18 . 1 1 25 25 GLY N N 25 105.261 105.261 107.681 -2.420 25442 8671 1 18 . 1 1 25 25 GLY CA C 25 47.219 47.219 47.163 0.056 25442 8672 1 18 . 1 1 25 25 GLY H H 25 8.402 8.402 8.038 0.364 25442 8673 1 18 . 1 1 26 26 ASP N N 26 122.820 122.820 122.061 0.759 25442 8674 1 18 . 1 1 26 26 ASP HA H 26 4.515 4.515 4.446 0.069 25442 8675 1 18 . 1 1 26 26 ASP CA C 26 58.005 58.005 57.025 0.980 25442 8676 1 18 . 1 1 26 26 ASP CB C 26 41.261 41.261 40.840 0.421 25442 8677 1 18 . 1 1 26 26 ASP H H 26 7.539 7.539 8.427 -0.888 25442 8678 1 18 . 1 1 27 27 ILE N N 27 118.686 118.686 120.541 -1.855 25442 8679 1 18 . 1 1 27 27 ILE HA H 27 3.609 3.609 3.791 -0.182 25442 8680 1 18 . 1 1 27 27 ILE CA C 27 65.348 65.348 65.353 -0.005 25442 8681 1 18 . 1 1 27 27 ILE CB C 27 37.789 37.789 38.053 -0.264 25442 8682 1 18 . 1 1 27 27 ILE H H 27 7.832 7.832 7.788 0.044 25442 8683 1 18 . 1 1 28 28 LEU N N 28 119.737 119.737 120.448 -0.711 25442 8684 1 18 . 1 1 28 28 LEU HA H 28 3.790 3.790 3.923 -0.133 25442 8685 1 18 . 1 1 28 28 LEU CA C 28 59.040 59.040 58.626 0.415 25442 8686 1 18 . 1 1 28 28 LEU CB C 28 42.520 42.520 41.685 0.835 25442 8687 1 18 . 1 1 28 28 LEU H H 28 8.731 8.731 8.204 0.527 25442 8688 1 18 . 1 1 29 29 THR N N 29 119.509 119.509 115.380 4.129 25442 8689 1 18 . 1 1 29 29 THR HA H 29 4.045 4.045 3.954 0.091 25442 8690 1 18 . 1 1 29 29 THR CA C 29 67.196 67.196 67.086 0.110 25442 8691 1 18 . 1 1 29 29 THR CB C 29 69.194 69.194 68.574 0.620 25442 8692 1 18 . 1 1 29 29 THR H H 29 8.251 8.251 7.802 0.449 25442 8693 1 18 . 1 1 30 30 VAL N N 30 117.974 117.974 121.211 -3.237 25442 8694 1 18 . 1 1 30 30 VAL HA H 30 3.869 3.869 3.725 0.144 25442 8695 1 18 . 1 1 30 30 VAL CA C 30 65.727 65.727 66.388 -0.661 25442 8696 1 18 . 1 1 30 30 VAL CB C 30 32.912 32.912 31.975 0.937 25442 8697 1 18 . 1 1 30 30 VAL H H 30 7.627 7.627 7.745 -0.118 25442 8698 1 18 . 1 1 31 31 PHE N N 31 113.937 113.937 116.093 -2.156 25442 8699 1 18 . 1 1 31 31 PHE HA H 31 3.908 3.908 4.593 -0.685 25442 8700 1 18 . 1 1 31 31 PHE CA C 31 62.044 62.044 59.946 2.099 25442 8701 1 18 . 1 1 31 31 PHE CB C 31 37.217 37.217 39.013 -1.796 25442 8702 1 18 . 1 1 31 31 PHE H H 31 8.903 8.903 8.354 0.549 25442 8703 1 18 . 1 1 32 32 SER N N 32 118.854 118.854 116.539 2.315 25442 8704 1 18 . 1 1 32 32 SER HA H 32 5.405 5.405 4.134 1.271 25442 8705 1 18 . 1 1 32 32 SER CA C 32 61.282 61.282 62.345 -1.063 25442 8706 1 18 . 1 1 32 32 SER CB C 32 64.055 64.055 63.108 0.947 25442 8707 1 18 . 1 1 32 32 SER H H 32 8.024 8.024 8.488 -0.464 25442 8708 1 18 . 1 1 33 33 GLU N N 33 121.203 121.203 119.091 2.112 25442 8709 1 18 . 1 1 33 33 GLU HA H 33 2.246 2.246 3.997 -1.751 25442 8710 1 18 . 1 1 33 33 GLU CA C 33 59.596 59.596 58.088 1.508 25442 8711 1 18 . 1 1 33 33 GLU H H 33 6.935 6.935 7.916 -0.981 25442 8712 1 18 . 1 1 34 34 TYR N N 34 108.039 108.039 119.263 -11.224 25442 8713 1 18 . 1 1 34 34 TYR HA H 34 4.953 4.953 4.641 0.312 25442 8714 1 18 . 1 1 34 34 TYR CA C 34 57.226 57.226 56.391 0.836 25442 8715 1 18 . 1 1 34 34 TYR CB C 34 38.821 38.821 37.703 1.118 25442 8716 1 18 . 1 1 34 34 TYR H H 34 6.254 6.254 7.178 -0.924 25442 8717 1 18 . 1 1 35 35 GLY N N 35 103.601 103.601 108.219 -4.618 25442 8718 1 18 . 1 1 35 35 GLY CA C 35 44.594 44.594 44.832 -0.238 25442 8719 1 18 . 1 1 35 35 GLY H H 35 7.247 7.247 7.531 -0.284 25442 8720 1 18 . 1 1 36 36 VAL N N 36 120.482 120.482 123.122 -2.640 25442 8721 1 18 . 1 1 36 36 VAL HA H 36 4.537 4.537 4.215 0.322 25442 8722 1 18 . 1 1 36 36 VAL CA C 36 59.942 59.942 60.340 -0.398 25442 8723 1 18 . 1 1 36 36 VAL CB C 36 33.989 33.989 32.826 1.163 25442 8724 1 18 . 1 1 36 36 VAL H H 36 8.549 8.549 7.690 0.859 25442 8725 1 18 . 1 1 37 37 PRO HA H 37 4.543 4.543 4.669 -0.126 25442 8726 1 18 . 1 1 37 37 PRO CA C 37 62.043 62.043 62.335 -0.292 25442 8727 1 18 . 1 1 37 37 PRO CB C 37 31.531 31.531 32.615 -1.084 25442 8728 1 18 . 1 1 38 38 VAL N N 38 118.566 118.566 115.460 3.106 25442 8729 1 18 . 1 1 38 38 VAL HA H 38 4.439 4.439 4.327 0.112 25442 8730 1 18 . 1 1 38 38 VAL CA C 38 61.064 61.064 62.390 -1.326 25442 8731 1 18 . 1 1 38 38 VAL CB C 38 32.842 32.842 32.765 0.077 25442 8732 1 18 . 1 1 38 38 VAL H H 38 9.099 9.099 8.132 0.967 25442 8733 1 18 . 1 1 39 39 ASP N N 39 118.912 118.912 119.072 -0.160 25442 8734 1 18 . 1 1 39 39 ASP HA H 39 4.920 4.920 4.791 0.129 25442 8735 1 18 . 1 1 39 39 ASP CA C 39 54.860 54.860 54.377 0.484 25442 8736 1 18 . 1 1 39 39 ASP CB C 39 44.441 44.441 44.600 -0.159 25442 8737 1 18 . 1 1 39 39 ASP H H 39 7.300 7.300 7.588 -0.288 25442 8738 1 18 . 1 1 40 40 VAL N N 40 123.365 123.365 123.726 -0.361 25442 8739 1 18 . 1 1 40 40 VAL HA H 40 4.759 4.759 4.604 0.155 25442 8740 1 18 . 1 1 40 40 VAL CA C 40 61.259 61.259 61.139 0.120 25442 8741 1 18 . 1 1 40 40 VAL CB C 40 34.464 34.464 34.030 0.434 25442 8742 1 18 . 1 1 40 40 VAL H H 40 8.052 8.052 8.462 -0.410 25442 8743 1 18 . 1 1 41 41 ILE N N 41 127.951 127.951 128.311 -0.360 25442 8744 1 18 . 1 1 41 41 ILE HA H 41 4.361 4.361 4.278 0.083 25442 8745 1 18 . 1 1 41 41 ILE CA C 41 60.204 60.204 60.821 -0.617 25442 8746 1 18 . 1 1 41 41 ILE CB C 41 41.220 41.220 39.365 1.855 25442 8747 1 18 . 1 1 41 41 ILE H H 41 9.031 9.031 8.572 0.459 25442 8748 1 18 . 1 1 42 42 LEU N N 42 130.034 130.034 129.737 0.297 25442 8749 1 18 . 1 1 42 42 LEU HA H 42 4.415 4.415 4.579 -0.164 25442 8750 1 18 . 1 1 42 42 LEU CA C 42 53.832 53.832 54.025 -0.193 25442 8751 1 18 . 1 1 42 42 LEU CB C 42 44.353 44.353 43.995 0.358 25442 8752 1 18 . 1 1 42 42 LEU H H 42 8.935 8.935 8.603 0.332 25442 8753 1 18 . 1 1 43 43 SER N N 43 121.977 121.977 120.884 1.093 25442 8754 1 18 . 1 1 43 43 SER HA H 43 4.092 4.092 4.435 -0.343 25442 8755 1 18 . 1 1 43 43 SER CA C 43 59.298 59.298 58.513 0.785 25442 8756 1 18 . 1 1 43 43 SER CB C 43 62.879 62.879 63.981 -1.102 25442 8757 1 18 . 1 1 43 43 SER H H 43 8.088 8.088 8.464 -0.376 25442 8758 1 18 . 1 1 44 44 ARG N N 44 125.852 125.852 123.967 1.885 25442 8759 1 18 . 1 1 44 44 ARG HA H 44 4.906 4.906 4.405 0.501 25442 8760 1 18 . 1 1 44 44 ARG CA C 44 54.363 54.363 54.920 -0.557 25442 8761 1 18 . 1 1 44 44 ARG CB C 44 34.095 34.095 34.144 -0.049 25442 8762 1 18 . 1 1 44 44 ARG H H 44 8.081 8.081 8.212 -0.131 25442 8763 1 18 . 1 1 45 45 ASP N N 45 123.150 123.150 122.168 0.982 25442 8764 1 18 . 1 1 45 45 ASP HA H 45 4.425 4.425 4.678 -0.253 25442 8765 1 18 . 1 1 45 45 ASP CA C 45 54.728 54.728 53.942 0.786 25442 8766 1 18 . 1 1 45 45 ASP CB C 45 43.318 43.318 41.786 1.532 25442 8767 1 18 . 1 1 45 45 ASP H H 45 8.594 8.594 8.536 0.058 25442 8768 1 18 . 1 1 46 46 GLU N N 46 127.786 127.786 125.076 2.710 25442 8769 1 18 . 1 1 46 46 GLU HA H 46 4.048 4.048 4.011 0.037 25442 8770 1 18 . 1 1 46 46 GLU CA C 46 59.018 59.018 58.866 0.152 25442 8771 1 18 . 1 1 46 46 GLU CB C 46 29.870 29.870 29.343 0.527 25442 8772 1 18 . 1 1 46 46 GLU H H 46 9.250 9.250 8.677 0.573 25442 8773 1 18 . 1 1 47 47 ASN N N 47 116.105 116.105 117.929 -1.824 25442 8774 1 18 . 1 1 47 47 ASN HA H 47 4.825 4.825 4.581 0.244 25442 8775 1 18 . 1 1 47 47 ASN CA C 47 55.321 55.321 55.167 0.154 25442 8776 1 18 . 1 1 47 47 ASN CB C 47 39.927 39.927 38.549 1.378 25442 8777 1 18 . 1 1 47 47 ASN H H 47 8.857 8.857 8.560 0.297 25442 8778 1 18 . 1 1 48 48 THR N N 48 108.395 108.395 106.599 1.796 25442 8779 1 18 . 1 1 48 48 THR HA H 48 4.461 4.461 4.548 -0.087 25442 8780 1 18 . 1 1 48 48 THR CA C 48 61.883 61.883 62.366 -0.483 25442 8781 1 18 . 1 1 48 48 THR CB C 48 71.194 71.194 71.267 -0.073 25442 8782 1 18 . 1 1 48 48 THR H H 48 8.539 8.539 7.551 0.988 25442 8783 1 18 . 1 1 49 49 GLY N N 49 110.910 110.910 111.400 -0.490 25442 8784 1 18 . 1 1 49 49 GLY CA C 49 45.706 45.706 45.487 0.219 25442 8785 1 18 . 1 1 49 49 GLY H H 49 8.293 8.293 8.444 -0.151 25442 8786 1 18 . 1 1 50 50 GLU N N 50 120.328 120.328 120.987 -0.659 25442 8787 1 18 . 1 1 50 50 GLU HA H 50 4.162 4.162 4.238 -0.076 25442 8788 1 18 . 1 1 50 50 GLU CA C 50 56.540 56.540 57.835 -1.295 25442 8789 1 18 . 1 1 50 50 GLU CB C 50 30.948 30.948 30.485 0.463 25442 8790 1 18 . 1 1 50 50 GLU H H 50 7.854 7.854 7.978 -0.124 25442 8791 1 18 . 1 1 51 51 SER N N 51 117.235 117.235 111.126 6.109 25442 8792 1 18 . 1 1 51 51 SER HA H 51 4.391 4.391 4.515 -0.124 25442 8793 1 18 . 1 1 51 51 SER CA C 51 58.361 58.361 57.508 0.853 25442 8794 1 18 . 1 1 51 51 SER CB C 51 64.438 64.438 64.525 -0.087 25442 8795 1 18 . 1 1 51 51 SER H H 51 8.950 8.950 8.136 0.814 25442 8796 1 18 . 1 1 52 52 GLN N N 52 122.996 122.996 124.154 -1.158 25442 8797 1 18 . 1 1 52 52 GLN HA H 52 4.516 4.516 4.299 0.217 25442 8798 1 18 . 1 1 52 52 GLN CA C 52 55.406 55.406 55.912 -0.506 25442 8799 1 18 . 1 1 52 52 GLN CB C 52 29.624 29.624 29.106 0.518 25442 8800 1 18 . 1 1 52 52 GLN H H 52 8.929 8.929 8.105 0.824 25442 8801 1 18 . 1 1 53 53 GLY N N 53 106.139 106.139 106.814 -0.675 25442 8802 1 18 . 1 1 53 53 GLY CA C 53 46.434 46.434 45.481 0.953 25442 8803 1 18 . 1 1 53 53 GLY H H 53 8.876 8.876 7.804 1.072 25442 8804 1 18 . 1 1 54 54 PHE N N 54 112.294 112.294 115.143 -2.849 25442 8805 1 18 . 1 1 54 54 PHE HA H 54 5.436 5.436 5.492 -0.056 25442 8806 1 18 . 1 1 54 54 PHE CA C 54 55.464 55.464 54.244 1.220 25442 8807 1 18 . 1 1 54 54 PHE CB C 54 41.207 41.207 41.283 -0.076 25442 8808 1 18 . 1 1 54 54 PHE H H 54 6.938 6.938 6.698 0.240 25442 8809 1 18 . 1 1 55 55 ALA N N 55 121.935 121.935 119.994 1.941 25442 8810 1 18 . 1 1 55 55 ALA HA H 55 5.051 5.051 4.434 0.617 25442 8811 1 18 . 1 1 55 55 ALA CA C 55 49.517 49.517 51.435 -1.918 25442 8812 1 18 . 1 1 55 55 ALA CB C 55 24.966 24.966 22.161 2.805 25442 8813 1 18 . 1 1 55 55 ALA H H 55 9.098 9.098 8.127 0.971 25442 8814 1 18 . 1 1 56 56 TYR N N 56 114.799 114.799 117.971 -3.172 25442 8815 1 18 . 1 1 56 56 TYR HA H 56 5.652 5.652 5.186 0.466 25442 8816 1 18 . 1 1 56 56 TYR CA C 56 56.128 56.128 57.084 -0.956 25442 8817 1 18 . 1 1 56 56 TYR CB C 56 42.405 42.405 40.987 1.418 25442 8818 1 18 . 1 1 56 56 TYR H H 56 8.572 8.572 8.642 -0.070 25442 8819 1 18 . 1 1 57 57 LEU N N 57 123.129 123.129 122.969 0.160 25442 8820 1 18 . 1 1 57 57 LEU HA H 57 5.100 5.100 4.718 0.382 25442 8821 1 18 . 1 1 57 57 LEU CA C 57 54.552 54.552 54.018 0.534 25442 8822 1 18 . 1 1 57 57 LEU H H 57 8.600 8.600 8.595 0.005 25442 8823 1 18 . 1 1 58 58 LYS N N 58 126.556 126.556 128.220 -1.664 25442 8824 1 18 . 1 1 58 58 LYS HA H 58 4.553 4.553 4.489 0.064 25442 8825 1 18 . 1 1 58 58 LYS CA C 58 54.518 54.518 53.943 0.575 25442 8826 1 18 . 1 1 58 58 LYS CB C 58 36.254 36.254 33.109 3.145 25442 8827 1 18 . 1 1 58 58 LYS H H 58 8.389 8.389 8.162 0.227 25442 8828 1 18 . 1 1 59 59 TYR N N 59 126.761 126.761 121.650 5.111 25442 8829 1 18 . 1 1 59 59 TYR HA H 59 5.061 5.061 4.791 0.270 25442 8830 1 18 . 1 1 59 59 TYR CA C 59 58.271 58.271 55.457 2.814 25442 8831 1 18 . 1 1 59 59 TYR H H 59 9.035 9.035 7.853 1.182 25442 8832 1 18 . 1 1 60 60 GLU N N 60 120.097 120.097 120.899 -0.802 25442 8833 1 18 . 1 1 60 60 GLU HA H 60 3.890 3.890 4.243 -0.353 25442 8834 1 18 . 1 1 60 60 GLU CA C 60 59.244 59.244 56.666 2.579 25442 8835 1 18 . 1 1 60 60 GLU CB C 60 31.145 31.145 30.304 0.841 25442 8836 1 18 . 1 1 60 60 GLU H H 60 8.796 8.796 8.919 -0.123 25442 8837 1 18 . 1 1 61 61 ASP N N 61 117.697 117.697 119.224 -1.527 25442 8838 1 18 . 1 1 61 61 ASP HA H 61 4.842 4.842 4.978 -0.136 25442 8839 1 18 . 1 1 61 61 ASP CA C 61 51.550 51.550 53.206 -1.657 25442 8840 1 18 . 1 1 61 61 ASP CB C 61 43.258 43.258 42.003 1.255 25442 8841 1 18 . 1 1 61 61 ASP H H 61 8.006 8.006 8.321 -0.315 25442 8842 1 18 . 1 1 62 62 GLN N N 62 126.321 126.321 122.434 3.887 25442 8843 1 18 . 1 1 62 62 GLN HA H 62 4.223 4.223 3.551 0.672 25442 8844 1 18 . 1 1 62 62 GLN CA C 62 58.637 58.637 59.058 -0.421 25442 8845 1 18 . 1 1 62 62 GLN CB C 62 27.994 27.994 29.041 -1.047 25442 8846 1 18 . 1 1 62 62 GLN H H 62 9.053 9.053 8.920 0.133 25442 8847 1 18 . 1 1 63 63 ARG N N 63 121.086 121.086 117.363 3.723 25442 8848 1 18 . 1 1 63 63 ARG HA H 63 3.654 3.654 4.057 -0.403 25442 8849 1 18 . 1 1 63 63 ARG CA C 63 58.971 58.971 58.150 0.821 25442 8850 1 18 . 1 1 63 63 ARG H H 63 8.960 8.960 8.617 0.343 25442 8851 1 18 . 1 1 64 64 SER N N 64 114.891 114.891 113.943 0.948 25442 8852 1 18 . 1 1 64 64 SER HA H 64 3.704 3.704 4.278 -0.574 25442 8853 1 18 . 1 1 64 64 SER CA C 64 63.589 63.589 61.629 1.960 25442 8854 1 18 . 1 1 64 64 SER H H 64 8.143 8.143 7.747 0.396 25442 8855 1 18 . 1 1 65 65 THR N N 65 111.019 111.019 115.478 -4.459 25442 8856 1 18 . 1 1 65 65 THR HA H 65 3.765 3.765 4.038 -0.273 25442 8857 1 18 . 1 1 65 65 THR CA C 65 66.198 66.198 65.553 0.645 25442 8858 1 18 . 1 1 65 65 THR CB C 65 68.461 68.461 68.433 0.028 25442 8859 1 18 . 1 1 65 65 THR H H 65 7.633 7.633 7.339 0.294 25442 8860 1 18 . 1 1 66 66 ILE N N 66 123.242 123.242 122.423 0.819 25442 8861 1 18 . 1 1 66 66 ILE HA H 66 3.673 3.673 3.702 -0.029 25442 8862 1 18 . 1 1 66 66 ILE CA C 66 64.506 64.506 64.745 -0.239 25442 8863 1 18 . 1 1 66 66 ILE CB C 66 38.668 38.668 37.678 0.990 25442 8864 1 18 . 1 1 66 66 ILE H H 66 6.648 6.648 7.311 -0.663 25442 8865 1 18 . 1 1 67 67 LEU N N 67 113.375 113.375 119.794 -6.419 25442 8866 1 18 . 1 1 67 67 LEU HA H 67 3.627 3.627 3.821 -0.194 25442 8867 1 18 . 1 1 67 67 LEU CA C 67 57.678 57.678 58.249 -0.571 25442 8868 1 18 . 1 1 67 67 LEU CB C 67 41.866 41.866 41.596 0.270 25442 8869 1 18 . 1 1 67 67 LEU H H 67 6.899 6.899 7.614 -0.715 25442 8870 1 18 . 1 1 68 68 ALA N N 68 120.327 120.327 121.327 -1.000 25442 8871 1 18 . 1 1 68 68 ALA HA H 68 3.406 3.406 3.580 -0.174 25442 8872 1 18 . 1 1 68 68 ALA CA C 68 55.643 55.643 54.773 0.870 25442 8873 1 18 . 1 1 68 68 ALA CB C 68 19.395 19.395 18.254 1.141 25442 8874 1 18 . 1 1 68 68 ALA H H 68 8.201 8.201 7.708 0.493 25442 8875 1 18 . 1 1 69 69 VAL N N 69 118.977 118.977 117.734 1.243 25442 8876 1 18 . 1 1 69 69 VAL HA H 69 3.221 3.221 3.709 -0.488 25442 8877 1 18 . 1 1 69 69 VAL CA C 69 67.039 67.039 65.744 1.295 25442 8878 1 18 . 1 1 69 69 VAL CB C 69 31.896 31.896 31.965 -0.069 25442 8879 1 18 . 1 1 69 69 VAL H H 69 8.235 8.235 8.199 0.036 25442 8880 1 18 . 1 1 70 70 ASP N N 70 116.894 116.894 118.090 -1.196 25442 8881 1 18 . 1 1 70 70 ASP HA H 70 3.941 3.941 4.576 -0.635 25442 8882 1 18 . 1 1 70 70 ASP CA C 70 57.576 57.576 56.204 1.372 25442 8883 1 18 . 1 1 70 70 ASP CB C 70 39.037 39.037 41.360 -2.323 25442 8884 1 18 . 1 1 70 70 ASP H H 70 8.152 8.152 7.747 0.405 25442 8885 1 18 . 1 1 71 71 ASN N N 71 110.936 110.936 116.675 -5.739 25442 8886 1 18 . 1 1 71 71 ASN HA H 71 5.009 5.009 4.628 0.381 25442 8887 1 18 . 1 1 71 71 ASN CA C 71 55.710 55.710 53.937 1.773 25442 8888 1 18 . 1 1 71 71 ASN CB C 71 42.091 42.091 39.468 2.623 25442 8889 1 18 . 1 1 71 71 ASN H H 71 7.562 7.562 7.783 -0.221 25442 8890 1 18 . 1 1 72 72 LEU N N 72 116.460 116.460 119.334 -2.874 25442 8891 1 18 . 1 1 72 72 LEU HA H 72 4.686 4.686 4.206 0.480 25442 8892 1 18 . 1 1 72 72 LEU CA C 72 54.411 54.411 55.698 -1.287 25442 8893 1 18 . 1 1 72 72 LEU CB C 72 42.477 42.477 41.338 1.139 25442 8894 1 18 . 1 1 72 72 LEU H H 72 8.406 8.406 8.031 0.375 25442 8895 1 18 . 1 1 73 73 ASN N N 73 118.618 118.618 117.380 1.238 25442 8896 1 18 . 1 1 73 73 ASN HA H 73 4.419 4.419 4.589 -0.170 25442 8897 1 18 . 1 1 73 73 ASN CA C 73 56.716 56.716 54.227 2.489 25442 8898 1 18 . 1 1 73 73 ASN CB C 73 39.452 39.452 38.475 0.977 25442 8899 1 18 . 1 1 73 73 ASN H H 73 6.956 6.956 7.459 -0.503 25442 8900 1 18 . 1 1 74 74 GLY N N 74 116.095 116.095 114.157 1.938 25442 8901 1 18 . 1 1 74 74 GLY CA C 74 45.912 45.912 45.253 0.659 25442 8902 1 18 . 1 1 74 74 GLY H H 74 9.379 9.379 8.276 1.103 25442 8903 1 18 . 1 1 75 75 PHE N N 75 123.354 123.354 122.360 0.994 25442 8904 1 18 . 1 1 75 75 PHE HA H 75 4.311 4.311 4.547 -0.236 25442 8905 1 18 . 1 1 75 75 PHE CA C 75 58.979 58.979 56.654 2.325 25442 8906 1 18 . 1 1 75 75 PHE CB C 75 41.709 41.709 40.421 1.288 25442 8907 1 18 . 1 1 75 75 PHE H H 75 8.211 8.211 7.493 0.718 25442 8908 1 18 . 1 1 76 76 LYS N N 76 127.267 127.267 127.760 -0.493 25442 8909 1 18 . 1 1 76 76 LYS HA H 76 4.598 4.598 4.273 0.325 25442 8910 1 18 . 1 1 76 76 LYS CA C 76 56.529 56.529 56.468 0.061 25442 8911 1 18 . 1 1 76 76 LYS CB C 76 33.073 33.073 32.159 0.914 25442 8912 1 18 . 1 1 76 76 LYS H H 76 7.648 7.648 8.089 -0.441 25442 8913 1 18 . 1 1 77 77 ILE N N 77 121.576 121.576 124.471 -2.895 25442 8914 1 18 . 1 1 77 77 ILE HA H 77 4.406 4.406 4.169 0.237 25442 8915 1 18 . 1 1 77 77 ILE CA C 77 60.214 60.214 60.651 -0.437 25442 8916 1 18 . 1 1 77 77 ILE CB C 77 40.048 40.048 40.555 -0.507 25442 8917 1 18 . 1 1 77 77 ILE H H 77 8.100 8.100 8.851 -0.751 25442 8918 1 18 . 1 1 78 78 GLY CA C 78 47.118 47.118 45.361 1.757 25442 8919 1 18 . 1 1 79 79 GLY CA C 79 45.171 45.171 44.758 0.413 25442 8920 1 18 . 1 1 80 80 ARG N N 80 119.377 119.377 121.135 -1.758 25442 8921 1 18 . 1 1 80 80 ARG HA H 80 4.650 4.650 4.638 0.012 25442 8922 1 18 . 1 1 80 80 ARG CA C 80 54.849 54.849 53.920 0.929 25442 8923 1 18 . 1 1 80 80 ARG CB C 80 33.411 33.411 33.007 0.404 25442 8924 1 18 . 1 1 80 80 ARG H H 80 7.379 7.379 7.560 -0.181 25442 8925 1 18 . 1 1 81 81 ALA N N 81 126.782 126.782 124.897 1.885 25442 8926 1 18 . 1 1 81 81 ALA HA H 81 4.137 4.137 4.276 -0.139 25442 8927 1 18 . 1 1 81 81 ALA CA C 81 51.454 51.454 51.605 -0.151 25442 8928 1 18 . 1 1 81 81 ALA CB C 81 19.131 19.131 19.545 -0.414 25442 8929 1 18 . 1 1 81 81 ALA H H 81 8.734 8.734 8.373 0.361 25442 8930 1 18 . 1 1 82 82 LEU N N 82 125.769 125.769 123.392 2.377 25442 8931 1 18 . 1 1 82 82 LEU HA H 82 4.390 4.390 4.387 0.003 25442 8932 1 18 . 1 1 82 82 LEU CA C 82 56.196 56.196 54.813 1.383 25442 8933 1 18 . 1 1 82 82 LEU CB C 82 43.362 43.362 43.824 -0.462 25442 8934 1 18 . 1 1 82 82 LEU H H 82 8.736 8.736 8.028 0.708 25442 8935 1 18 . 1 1 83 83 LYS N N 83 123.851 123.851 125.291 -1.440 25442 8936 1 18 . 1 1 83 83 LYS HA H 83 5.005 5.005 4.687 0.318 25442 8937 1 18 . 1 1 83 83 LYS CA C 83 54.790 54.790 55.483 -0.693 25442 8938 1 18 . 1 1 83 83 LYS CB C 83 34.212 34.212 34.153 0.059 25442 8939 1 18 . 1 1 83 83 LYS H H 83 7.838 7.838 8.356 -0.518 25442 8940 1 18 . 1 1 84 84 ILE N N 84 125.629 125.629 127.022 -1.393 25442 8941 1 18 . 1 1 84 84 ILE HA H 84 5.576 5.576 5.252 0.324 25442 8942 1 18 . 1 1 84 84 ILE CA C 84 58.513 58.513 58.471 0.042 25442 8943 1 18 . 1 1 84 84 ILE CB C 84 40.310 40.310 38.633 1.677 25442 8944 1 18 . 1 1 84 84 ILE H H 84 8.727 8.727 8.204 0.523 25442 8945 1 18 . 1 1 85 85 ASP N N 85 124.427 124.427 127.002 -2.575 25442 8946 1 18 . 1 1 85 85 ASP HA H 85 5.094 5.094 4.921 0.173 25442 8947 1 18 . 1 1 85 85 ASP CA C 85 52.697 52.697 52.938 -0.241 25442 8948 1 18 . 1 1 85 85 ASP CB C 85 45.574 45.574 44.181 1.393 25442 8949 1 18 . 1 1 85 85 ASP H H 85 8.960 8.960 8.751 0.209 25442 8950 1 18 . 1 1 86 86 HIS N N 86 121.356 121.356 122.624 -1.268 25442 8951 1 18 . 1 1 86 86 HIS HA H 86 4.635 4.635 4.802 -0.167 25442 8952 1 18 . 1 1 86 86 HIS CA C 86 58.158 58.158 56.954 1.204 25442 8953 1 18 . 1 1 86 86 HIS CB C 86 31.368 31.368 31.371 -0.003 25442 8954 1 18 . 1 1 86 86 HIS H H 86 8.783 8.783 8.669 0.114 25442 8955 1 18 . 1 1 87 87 THR N N 87 114.331 114.331 116.947 -2.616 25442 8956 1 18 . 1 1 87 87 THR HA H 87 4.691 4.691 4.740 -0.049 25442 8957 1 18 . 1 1 87 87 THR CA C 87 60.890 60.890 59.883 1.007 25442 8958 1 18 . 1 1 87 87 THR CB C 87 70.215 70.215 70.251 -0.036 25442 8959 1 18 . 1 1 87 87 THR H H 87 8.032 8.032 8.780 -0.748 25442 8960 1 18 . 1 1 88 88 PHE N N 88 118.673 118.673 120.991 -2.318 25442 8961 1 18 . 1 1 88 88 PHE HA H 88 4.305 4.305 5.171 -0.866 25442 8962 1 18 . 1 1 88 88 PHE CA C 88 58.926 58.926 55.119 3.807 25442 8963 1 18 . 1 1 88 88 PHE CB C 88 39.673 39.673 38.558 1.115 25442 8964 1 18 . 1 1 88 88 PHE H H 88 8.233 8.233 8.096 0.137 25442 8965 1 18 . 1 1 89 89 TYR N N 89 124.182 124.182 120.764 3.418 25442 8966 1 18 . 1 1 89 89 TYR HA H 89 4.193 4.193 4.174 0.019 25442 8967 1 18 . 1 1 89 89 TYR CA C 89 58.510 58.510 56.693 1.817 25442 8968 1 18 . 1 1 89 89 TYR CB C 89 39.993 39.993 38.674 1.319 25442 8969 1 18 . 1 1 89 89 TYR H H 89 8.246 8.246 7.364 0.882 25442 8970 1 18 . 1 1 90 90 ARG N N 90 125.111 125.111 126.839 -1.728 25442 8971 1 18 . 1 1 90 90 ARG HA H 90 4.219 4.219 4.191 0.028 25442 8972 1 18 . 1 1 90 90 ARG CA C 90 52.511 52.511 54.207 -1.696 25442 8973 1 18 . 1 1 90 90 ARG CB C 90 31.298 31.298 29.994 1.304 25442 8974 1 18 . 1 1 90 90 ARG H H 90 7.223 7.223 8.582 -1.359 25442 8975 1 18 . 1 1 91 91 PRO HA H 91 4.028 4.028 3.996 0.032 25442 8976 1 18 . 1 1 91 91 PRO CA C 91 62.759 62.759 62.684 0.075 25442 8977 1 18 . 1 1 91 91 PRO CB C 91 32.074 32.074 31.843 0.231 25442 8978 1 18 . 1 1 94 94 SER HA H 94 4.466 4.466 4.320 0.146 25442 8979 1 18 . 1 1 94 94 SER CA C 94 58.273 58.273 59.189 -0.916 25442 8980 1 18 . 1 1 94 94 SER CB C 94 63.656 63.656 62.763 0.893 25442 8981 1 18 . 1 1 95 95 LEU HA H 95 4.369 4.369 4.661 -0.292 25442 8982 1 18 . 1 1 95 95 LEU CA C 95 55.482 55.482 54.906 0.576 25442 8983 1 18 . 1 1 95 95 LEU CB C 95 42.350 42.350 43.533 -1.183 25442 8984 1 18 . 1 1 97 97 LYS HA H 97 4.197 4.197 4.086 0.111 25442 8985 1 18 . 1 1 97 97 LYS CA C 97 56.923 56.923 57.047 -0.124 25442 8986 1 18 . 1 1 97 97 LYS CB C 97 32.936 32.936 32.320 0.616 25442 8987 1 18 . 1 1 98 98 TYR N N 98 120.486 120.486 124.242 -3.756 25442 8988 1 18 . 1 1 98 98 TYR HA H 98 4.477 4.477 4.506 -0.029 25442 8989 1 18 . 1 1 98 98 TYR CA C 98 58.249 58.249 58.552 -0.303 25442 8990 1 18 . 1 1 98 98 TYR CB C 98 38.659 38.659 38.300 0.359 25442 8991 1 18 . 1 1 98 98 TYR H H 98 7.979 7.979 8.605 -0.626 25442 8992 1 18 . 1 1 99 99 TYR N N 99 120.784 120.784 124.363 -3.579 25442 8993 1 18 . 1 1 99 99 TYR HA H 99 4.455 4.455 4.448 0.007 25442 8994 1 18 . 1 1 99 99 TYR CA C 99 58.281 58.281 59.010 -0.729 25442 8995 1 18 . 1 1 99 99 TYR CB C 99 38.902 38.902 39.792 -0.890 25442 8996 1 18 . 1 1 99 99 TYR H H 99 7.918 7.918 8.398 -0.480 25442 8997 1 18 . 1 1 100 100 GLU N N 100 122.033 122.033 122.485 -0.452 25442 8998 1 18 . 1 1 100 100 GLU HA H 100 4.171 4.171 4.065 0.106 25442 8999 1 18 . 1 1 100 100 GLU CA C 100 56.766 56.766 58.623 -1.857 25442 9000 1 18 . 1 1 100 100 GLU H H 100 8.055 8.055 8.737 -0.682 25442 9001 1 18 . 1 1 101 101 ALA N N 101 124.629 124.629 118.659 5.970 25442 9002 1 18 . 1 1 101 101 ALA HA H 101 4.283 4.283 4.019 0.264 25442 9003 1 18 . 1 1 101 101 ALA CA C 101 52.795 52.795 52.744 0.051 25442 9004 1 18 . 1 1 101 101 ALA CB C 101 19.150 19.150 18.572 0.578 25442 9005 1 18 . 1 1 101 101 ALA H H 101 8.040 8.040 8.114 -0.074 25442 9006 1 18 . 1 1 102 102 VAL N N 102 119.031 119.031 118.712 0.319 25442 9007 1 18 . 1 1 102 102 VAL HA H 102 4.039 4.039 3.769 0.270 25442 9008 1 18 . 1 1 102 102 VAL CA C 102 62.675 62.675 63.619 -0.944 25442 9009 1 18 . 1 1 102 102 VAL CB C 102 32.610 32.610 31.937 0.673 25442 9010 1 18 . 1 1 102 102 VAL H H 102 7.960 7.960 7.150 0.810 25442 9011 1 18 . 1 1 103 103 LYS N N 103 124.562 124.562 125.380 -0.818 25442 9012 1 18 . 1 1 103 103 LYS HA H 103 4.258 4.258 4.095 0.163 25442 9013 1 18 . 1 1 103 103 LYS CA C 103 56.797 56.797 57.105 -0.308 25442 9014 1 18 . 1 1 103 103 LYS CB C 103 33.012 33.012 33.015 -0.003 25442 9015 1 18 . 1 1 103 103 LYS H H 103 8.207 8.207 8.297 -0.090 25442 9016 1 18 . 1 1 104 104 GLU N N 104 121.722 121.722 115.436 6.286 25442 9017 1 18 . 1 1 104 104 GLU HA H 104 4.263 4.263 3.957 0.306 25442 9018 1 18 . 1 1 104 104 GLU CA C 104 57.034 57.034 57.307 -0.273 25442 9019 1 18 . 1 1 104 104 GLU CB C 104 30.351 30.351 28.095 2.256 25442 9020 1 18 . 1 1 104 104 GLU H H 104 8.325 8.325 8.878 -0.553 25442 9021 1 18 . 1 1 105 105 GLU N N 105 121.479 121.479 117.653 3.826 25442 9022 1 18 . 1 1 105 105 GLU HA H 105 4.264 4.264 4.184 0.080 25442 9023 1 18 . 1 1 105 105 GLU CA C 105 56.802 56.802 57.555 -0.753 25442 9024 1 18 . 1 1 105 105 GLU CB C 105 30.351 30.351 29.549 0.802 25442 9025 1 18 . 1 1 105 105 GLU H H 105 8.288 8.288 7.941 0.347 25442 9026 1 18 . 1 1 106 106 LEU N N 106 122.549 122.549 122.438 0.111 25442 9027 1 18 . 1 1 106 106 LEU HA H 106 4.316 4.316 4.068 0.248 25442 9028 1 18 . 1 1 106 106 LEU CA C 106 55.545 55.545 58.028 -2.483 25442 9029 1 18 . 1 1 106 106 LEU CB C 106 42.538 42.538 41.759 0.779 25442 9030 1 18 . 1 1 106 106 LEU H H 106 8.154 8.154 8.519 -0.365 25442 9031 1 18 . 1 1 107 107 ASP N N 107 120.656 120.656 116.849 3.807 25442 9032 1 18 . 1 1 107 107 ASP HA H 107 4.587 4.587 4.392 0.195 25442 9033 1 18 . 1 1 107 107 ASP CA C 107 54.715 54.715 56.059 -1.343 25442 9034 1 18 . 1 1 107 107 ASP CB C 107 41.125 41.125 39.842 1.283 25442 9035 1 18 . 1 1 107 107 ASP H H 107 8.273 8.273 8.328 -0.055 25442 9036 1 18 . 1 1 108 108 ARG N N 108 120.710 120.710 119.908 0.802 25442 9037 1 18 . 1 1 108 108 ARG HA H 108 4.272 4.272 4.108 0.164 25442 9038 1 18 . 1 1 108 108 ARG CA C 108 56.778 56.778 58.290 -1.512 25442 9039 1 18 . 1 1 108 108 ARG CB C 108 30.835 30.835 30.870 -0.035 25442 9040 1 18 . 1 1 108 108 ARG H H 108 8.041 8.041 7.461 0.580 25442 9041 1 18 . 1 1 109 109 ASP N N 109 120.647 120.647 119.727 0.920 25442 9042 1 18 . 1 1 109 109 ASP CA C 109 54.862 54.862 54.289 0.573 25442 9043 1 18 . 1 1 109 109 ASP H H 109 8.331 8.331 7.895 0.436 25442 9044 1 18 . 1 1 110 110 ILE N N 110 120.220 120.220 123.484 -3.264 25442 9045 1 18 . 1 1 110 110 ILE HA H 110 4.140 4.140 4.330 -0.190 25442 9046 1 18 . 1 1 110 110 ILE CA C 110 61.760 61.760 61.111 0.649 25442 9047 1 18 . 1 1 110 110 ILE CB C 110 38.643 38.643 40.497 -1.854 25442 9048 1 18 . 1 1 110 110 ILE H H 110 7.910 7.910 8.258 -0.348 25442 9049 1 18 . 1 1 111 111 VAL N N 111 122.698 122.698 123.991 -1.293 25442 9050 1 18 . 1 1 111 111 VAL HA H 111 4.095 4.095 4.109 -0.014 25442 9051 1 18 . 1 1 111 111 VAL CA C 111 62.982 62.982 63.045 -0.064 25442 9052 1 18 . 1 1 111 111 VAL CB C 111 32.438 32.438 32.147 0.291 25442 9053 1 18 . 1 1 111 111 VAL H H 111 8.018 8.018 8.581 -0.563 25442 9054 1 18 . 1 1 112 112 SER HA H 112 4.439 4.439 4.113 0.326 25442 9055 1 18 . 1 1 112 112 SER CA C 112 58.581 58.581 59.718 -1.137 25442 9056 1 18 . 1 1 112 112 SER CB C 112 63.717 63.717 63.318 0.399 25442 9057 1 18 . 1 1 114 114 ASN HA H 114 4.690 4.690 4.826 -0.136 25442 9058 1 18 . 1 1 114 114 ASN CA C 114 53.462 53.462 52.220 1.242 25442 9059 1 18 . 1 1 114 114 ASN CB C 114 39.073 39.073 39.011 0.062 25442 9060 1 18 . 1 1 115 115 ASN HA H 115 4.690 4.690 4.797 -0.107 25442 9061 1 18 . 1 1 115 115 ASN CA C 115 53.476 53.476 52.729 0.747 25442 9062 1 18 . 1 1 115 115 ASN CB C 115 39.073 39.073 37.767 1.306 25442 9063 1 18 . 1 1 116 116 ALA N N 116 123.691 123.691 128.073 -4.382 25442 9064 1 18 . 1 1 116 116 ALA HA H 116 4.355 4.355 4.095 0.260 25442 9065 1 18 . 1 1 116 116 ALA CA C 116 52.748 52.748 53.790 -1.042 25442 9066 1 18 . 1 1 116 116 ALA CB C 116 19.559 19.559 19.224 0.335 25442 9067 1 18 . 1 1 116 116 ALA H H 116 8.144 8.144 8.742 -0.598 25442 9068 1 18 . 1 1 117 117 GLU N N 117 120.174 120.174 115.799 4.375 25442 9069 1 18 . 1 1 117 117 GLU HA H 117 4.284 4.284 4.075 0.209 25442 9070 1 18 . 1 1 117 117 GLU CA C 117 56.731 56.731 58.144 -1.413 25442 9071 1 18 . 1 1 117 117 GLU CB C 117 29.944 29.944 29.022 0.922 25442 9072 1 18 . 1 1 117 117 GLU H H 117 8.234 8.234 8.895 -0.661 25442 9073 1 19 . 1 1 2 2 ALA HA H 2 4.335 4.335 4.150 0.185 25442 9074 1 19 . 1 1 2 2 ALA CA C 2 53.634 53.634 52.194 1.440 25442 9075 1 19 . 1 1 2 2 ALA CB C 2 19.441 19.441 18.403 1.038 25442 9076 1 19 . 1 1 3 3 MET N N 3 120.791 120.791 119.856 0.935 25442 9077 1 19 . 1 1 3 3 MET HA H 3 4.499 4.499 4.457 0.042 25442 9078 1 19 . 1 1 3 3 MET CA C 3 55.772 55.772 54.830 0.942 25442 9079 1 19 . 1 1 3 3 MET CB C 3 32.968 32.968 33.644 -0.676 25442 9080 1 19 . 1 1 3 3 MET H H 3 8.636 8.636 7.879 0.757 25442 9081 1 19 . 1 1 4 4 GLY N N 4 109.879 109.879 111.684 -1.805 25442 9082 1 19 . 1 1 4 4 GLY CA C 4 45.531 45.531 45.858 -0.327 25442 9083 1 19 . 1 1 4 4 GLY H H 4 8.391 8.391 8.865 -0.474 25442 9084 1 19 . 1 1 5 5 ASN N N 5 124.309 124.309 117.101 7.208 25442 9085 1 19 . 1 1 5 5 ASN HA H 5 4.661 4.661 4.456 0.205 25442 9086 1 19 . 1 1 5 5 ASN CA C 5 53.419 53.419 53.917 -0.498 25442 9087 1 19 . 1 1 5 5 ASN CB C 5 39.059 39.059 36.812 2.247 25442 9088 1 19 . 1 1 5 5 ASN H H 5 7.954 7.954 8.604 -0.650 25442 9089 1 19 . 1 1 7 7 TYR N N 7 120.088 120.088 117.994 2.094 25442 9090 1 19 . 1 1 7 7 TYR HA H 7 4.463 4.463 4.507 -0.044 25442 9091 1 19 . 1 1 7 7 TYR CA C 7 58.098 58.098 60.040 -1.942 25442 9092 1 19 . 1 1 7 7 TYR CB C 7 38.252 38.252 40.136 -1.884 25442 9093 1 19 . 1 1 7 7 TYR H H 7 8.013 8.013 8.115 -0.102 25442 9094 1 19 . 1 1 8 8 LYS N N 8 121.766 121.766 120.829 0.937 25442 9095 1 19 . 1 1 8 8 LYS HA H 8 4.174 4.174 4.433 -0.259 25442 9096 1 19 . 1 1 8 8 LYS CA C 8 56.835 56.835 55.867 0.968 25442 9097 1 19 . 1 1 8 8 LYS CB C 8 32.997 32.997 32.031 0.967 25442 9098 1 19 . 1 1 8 8 LYS H H 8 7.845 7.845 7.841 0.004 25442 9099 1 19 . 1 1 9 9 ASP N N 9 119.739 119.739 123.669 -3.930 25442 9100 1 19 . 1 1 9 9 ASP HA H 9 4.477 4.477 4.674 -0.197 25442 9101 1 19 . 1 1 9 9 ASP CA C 9 54.660 54.660 54.438 0.222 25442 9102 1 19 . 1 1 9 9 ASP CB C 9 41.100 41.100 42.876 -1.776 25442 9103 1 19 . 1 1 9 9 ASP H H 9 8.043 8.043 8.019 0.024 25442 9104 1 19 . 1 1 10 10 ASN N N 10 119.260 119.260 120.282 -1.022 25442 9105 1 19 . 1 1 10 10 ASN HA H 10 4.875 4.875 4.808 0.067 25442 9106 1 19 . 1 1 10 10 ASN CA C 10 53.255 53.255 53.104 0.151 25442 9107 1 19 . 1 1 10 10 ASN CB C 10 39.105 39.105 37.333 1.772 25442 9108 1 19 . 1 1 10 10 ASN H H 10 8.174 8.174 8.707 -0.533 25442 9109 1 19 . 1 1 11 11 ALA N N 11 122.869 122.869 123.473 -0.604 25442 9110 1 19 . 1 1 11 11 ALA HA H 11 4.544 4.544 4.459 0.085 25442 9111 1 19 . 1 1 11 11 ALA CA C 11 52.866 52.866 52.153 0.713 25442 9112 1 19 . 1 1 11 11 ALA H H 11 8.299 8.299 7.642 0.657 25442 9113 1 19 . 1 1 12 12 TYR N N 12 117.351 117.351 121.424 -4.073 25442 9114 1 19 . 1 1 12 12 TYR HA H 12 5.220 5.220 5.410 -0.190 25442 9115 1 19 . 1 1 12 12 TYR CA C 12 57.621 57.621 57.119 0.502 25442 9116 1 19 . 1 1 12 12 TYR CB C 12 41.631 41.631 43.434 -1.803 25442 9117 1 19 . 1 1 12 12 TYR H H 12 8.340 8.340 7.740 0.600 25442 9118 1 19 . 1 1 13 13 ILE N N 13 112.184 112.184 119.826 -7.642 25442 9119 1 19 . 1 1 13 13 ILE HA H 13 5.052 5.052 4.564 0.488 25442 9120 1 19 . 1 1 13 13 ILE CA C 13 59.995 59.995 60.389 -0.394 25442 9121 1 19 . 1 1 13 13 ILE CB C 13 40.418 40.418 39.856 0.562 25442 9122 1 19 . 1 1 13 13 ILE H H 13 9.216 9.216 8.733 0.483 25442 9123 1 19 . 1 1 14 14 TYR N N 14 123.504 123.504 129.203 -5.699 25442 9124 1 19 . 1 1 14 14 TYR HA H 14 4.690 4.690 4.991 -0.301 25442 9125 1 19 . 1 1 14 14 TYR CA C 14 56.688 56.688 57.877 -1.189 25442 9126 1 19 . 1 1 14 14 TYR CB C 14 40.564 40.564 40.221 0.343 25442 9127 1 19 . 1 1 14 14 TYR H H 14 9.086 9.086 9.398 -0.312 25442 9128 1 19 . 1 1 15 15 ILE N N 15 127.611 127.611 127.912 -0.301 25442 9129 1 19 . 1 1 15 15 ILE HA H 15 4.288 4.288 4.959 -0.671 25442 9130 1 19 . 1 1 15 15 ILE CA C 15 59.654 59.654 59.689 -0.035 25442 9131 1 19 . 1 1 15 15 ILE CB C 15 40.260 40.260 40.532 -0.272 25442 9132 1 19 . 1 1 15 15 ILE H H 15 8.448 8.448 7.754 0.694 25442 9133 1 19 . 1 1 16 16 GLY N N 16 112.660 112.660 110.978 1.682 25442 9134 1 19 . 1 1 16 16 GLY CA C 16 43.240 43.240 43.467 -0.227 25442 9135 1 19 . 1 1 16 16 GLY H H 16 9.438 9.438 8.224 1.214 25442 9136 1 19 . 1 1 17 17 ASN N N 17 114.980 114.980 115.586 -0.606 25442 9137 1 19 . 1 1 17 17 ASN HA H 17 4.439 4.439 4.351 0.088 25442 9138 1 19 . 1 1 17 17 ASN CA C 17 53.251 53.251 54.242 -0.991 25442 9139 1 19 . 1 1 17 17 ASN CB C 17 38.259 38.259 36.981 1.278 25442 9140 1 19 . 1 1 17 17 ASN H H 17 8.497 8.497 8.561 -0.064 25442 9141 1 19 . 1 1 18 18 LEU N N 18 115.182 115.182 114.489 0.693 25442 9142 1 19 . 1 1 18 18 LEU HA H 18 4.068 4.068 4.710 -0.642 25442 9143 1 19 . 1 1 18 18 LEU CA C 18 54.073 54.073 53.669 0.404 25442 9144 1 19 . 1 1 18 18 LEU CB C 18 42.912 42.912 43.445 -0.533 25442 9145 1 19 . 1 1 18 18 LEU H H 18 7.859 7.859 7.343 0.516 25442 9146 1 19 . 1 1 19 19 ASN N N 19 122.392 122.392 118.918 3.474 25442 9147 1 19 . 1 1 19 19 ASN HA H 19 4.464 4.464 4.684 -0.220 25442 9148 1 19 . 1 1 19 19 ASN CA C 19 54.087 54.087 53.515 0.572 25442 9149 1 19 . 1 1 19 19 ASN CB C 19 38.703 38.703 39.537 -0.834 25442 9150 1 19 . 1 1 19 19 ASN H H 19 8.727 8.727 8.632 0.095 25442 9151 1 19 . 1 1 20 20 ARG N N 20 126.283 126.283 126.020 0.263 25442 9152 1 19 . 1 1 20 20 ARG HA H 20 3.937 3.937 3.952 -0.015 25442 9153 1 19 . 1 1 20 20 ARG CA C 20 58.719 58.719 58.843 -0.124 25442 9154 1 19 . 1 1 20 20 ARG CB C 20 29.719 29.719 30.264 -0.545 25442 9155 1 19 . 1 1 20 20 ARG H H 20 8.940 8.940 8.768 0.172 25442 9156 1 19 . 1 1 21 21 GLU N N 21 117.166 117.166 116.417 0.749 25442 9157 1 19 . 1 1 21 21 GLU HA H 21 4.321 4.321 4.132 0.189 25442 9158 1 19 . 1 1 21 21 GLU CA C 21 56.778 56.778 56.556 0.222 25442 9159 1 19 . 1 1 21 21 GLU H H 21 8.867 8.867 8.392 0.475 25442 9160 1 19 . 1 1 22 22 LEU N N 22 119.643 119.643 122.452 -2.809 25442 9161 1 19 . 1 1 22 22 LEU HA H 22 4.540 4.540 4.126 0.414 25442 9162 1 19 . 1 1 22 22 LEU CA C 22 55.505 55.505 55.653 -0.148 25442 9163 1 19 . 1 1 22 22 LEU CB C 22 42.251 42.251 42.205 0.046 25442 9164 1 19 . 1 1 22 22 LEU H H 22 7.324 7.324 7.425 -0.101 25442 9165 1 19 . 1 1 23 23 THR N N 23 114.564 114.564 120.822 -6.258 25442 9166 1 19 . 1 1 23 23 THR HA H 23 4.483 4.483 4.513 -0.030 25442 9167 1 19 . 1 1 23 23 THR CA C 23 60.155 60.155 60.076 0.079 25442 9168 1 19 . 1 1 23 23 THR CB C 23 73.000 73.000 71.390 1.610 25442 9169 1 19 . 1 1 23 23 THR H H 23 9.483 9.483 7.996 1.487 25442 9170 1 19 . 1 1 24 24 GLU N N 24 120.458 120.458 122.966 -2.508 25442 9171 1 19 . 1 1 24 24 GLU HA H 24 3.604 3.604 4.093 -0.489 25442 9172 1 19 . 1 1 24 24 GLU CA C 24 62.158 62.158 60.475 1.683 25442 9173 1 19 . 1 1 24 24 GLU H H 24 10.410 10.410 8.911 1.499 25442 9174 1 19 . 1 1 25 25 GLY N N 25 105.261 105.261 107.427 -2.166 25442 9175 1 19 . 1 1 25 25 GLY CA C 25 47.219 47.219 47.537 -0.318 25442 9176 1 19 . 1 1 25 25 GLY H H 25 8.402 8.402 7.674 0.728 25442 9177 1 19 . 1 1 26 26 ASP N N 26 122.820 122.820 122.102 0.718 25442 9178 1 19 . 1 1 26 26 ASP HA H 26 4.515 4.515 4.396 0.119 25442 9179 1 19 . 1 1 26 26 ASP CA C 26 58.005 58.005 57.221 0.784 25442 9180 1 19 . 1 1 26 26 ASP CB C 26 41.261 41.261 40.342 0.919 25442 9181 1 19 . 1 1 26 26 ASP H H 26 7.539 7.539 8.071 -0.532 25442 9182 1 19 . 1 1 27 27 ILE N N 27 118.686 118.686 120.728 -2.042 25442 9183 1 19 . 1 1 27 27 ILE HA H 27 3.609 3.609 3.751 -0.142 25442 9184 1 19 . 1 1 27 27 ILE CA C 27 65.348 65.348 65.278 0.069 25442 9185 1 19 . 1 1 27 27 ILE CB C 27 37.789 37.789 37.985 -0.196 25442 9186 1 19 . 1 1 27 27 ILE H H 27 7.832 7.832 7.773 0.059 25442 9187 1 19 . 1 1 28 28 LEU N N 28 119.737 119.737 120.753 -1.016 25442 9188 1 19 . 1 1 28 28 LEU HA H 28 3.790 3.790 3.897 -0.107 25442 9189 1 19 . 1 1 28 28 LEU CA C 28 59.040 59.040 58.607 0.433 25442 9190 1 19 . 1 1 28 28 LEU CB C 28 42.520 42.520 41.605 0.916 25442 9191 1 19 . 1 1 28 28 LEU H H 28 8.731 8.731 8.886 -0.155 25442 9192 1 19 . 1 1 29 29 THR N N 29 119.509 119.509 114.861 4.648 25442 9193 1 19 . 1 1 29 29 THR HA H 29 4.045 4.045 4.057 -0.012 25442 9194 1 19 . 1 1 29 29 THR CA C 29 67.196 67.196 66.136 1.060 25442 9195 1 19 . 1 1 29 29 THR CB C 29 69.194 69.194 68.266 0.928 25442 9196 1 19 . 1 1 29 29 THR H H 29 8.251 8.251 7.954 0.297 25442 9197 1 19 . 1 1 30 30 VAL N N 30 117.974 117.974 121.414 -3.440 25442 9198 1 19 . 1 1 30 30 VAL HA H 30 3.869 3.869 3.676 0.193 25442 9199 1 19 . 1 1 30 30 VAL CA C 30 65.727 65.727 66.199 -0.472 25442 9200 1 19 . 1 1 30 30 VAL CB C 30 32.912 32.912 31.659 1.253 25442 9201 1 19 . 1 1 30 30 VAL H H 30 7.627 7.627 7.717 -0.090 25442 9202 1 19 . 1 1 31 31 PHE N N 31 113.937 113.937 117.587 -3.650 25442 9203 1 19 . 1 1 31 31 PHE HA H 31 3.908 3.908 4.434 -0.526 25442 9204 1 19 . 1 1 31 31 PHE CA C 31 62.044 62.044 59.963 2.081 25442 9205 1 19 . 1 1 31 31 PHE CB C 31 37.217 37.217 38.989 -1.772 25442 9206 1 19 . 1 1 31 31 PHE H H 31 8.903 8.903 8.950 -0.047 25442 9207 1 19 . 1 1 32 32 SER N N 32 118.854 118.854 116.300 2.554 25442 9208 1 19 . 1 1 32 32 SER HA H 32 5.405 5.405 4.189 1.216 25442 9209 1 19 . 1 1 32 32 SER CA C 32 61.282 61.282 62.191 -0.909 25442 9210 1 19 . 1 1 32 32 SER CB C 32 64.055 64.055 62.904 1.151 25442 9211 1 19 . 1 1 32 32 SER H H 32 8.024 8.024 8.517 -0.493 25442 9212 1 19 . 1 1 33 33 GLU N N 33 121.203 121.203 121.013 0.190 25442 9213 1 19 . 1 1 33 33 GLU HA H 33 2.246 2.246 4.167 -1.921 25442 9214 1 19 . 1 1 33 33 GLU CA C 33 59.596 59.596 58.035 1.561 25442 9215 1 19 . 1 1 33 33 GLU H H 33 6.935 6.935 8.179 -1.244 25442 9216 1 19 . 1 1 34 34 TYR N N 34 108.039 108.039 118.698 -10.659 25442 9217 1 19 . 1 1 34 34 TYR HA H 34 4.953 4.953 4.444 0.509 25442 9218 1 19 . 1 1 34 34 TYR CA C 34 57.226 57.226 57.694 -0.468 25442 9219 1 19 . 1 1 34 34 TYR CB C 34 38.821 38.821 37.804 1.017 25442 9220 1 19 . 1 1 34 34 TYR H H 34 6.254 6.254 7.611 -1.357 25442 9221 1 19 . 1 1 35 35 GLY N N 35 103.601 103.601 107.370 -3.769 25442 9222 1 19 . 1 1 35 35 GLY CA C 35 44.594 44.594 44.673 -0.079 25442 9223 1 19 . 1 1 35 35 GLY H H 35 7.247 7.247 7.442 -0.195 25442 9224 1 19 . 1 1 36 36 VAL N N 36 120.482 120.482 122.570 -2.088 25442 9225 1 19 . 1 1 36 36 VAL HA H 36 4.537 4.537 4.190 0.347 25442 9226 1 19 . 1 1 36 36 VAL CA C 36 59.942 59.942 60.635 -0.693 25442 9227 1 19 . 1 1 36 36 VAL CB C 36 33.989 33.989 33.147 0.842 25442 9228 1 19 . 1 1 36 36 VAL H H 36 8.549 8.549 7.745 0.804 25442 9229 1 19 . 1 1 37 37 PRO HA H 37 4.543 4.543 4.616 -0.073 25442 9230 1 19 . 1 1 37 37 PRO CA C 37 62.043 62.043 62.411 -0.368 25442 9231 1 19 . 1 1 37 37 PRO CB C 37 31.531 31.531 32.522 -0.991 25442 9232 1 19 . 1 1 38 38 VAL N N 38 118.566 118.566 114.246 4.320 25442 9233 1 19 . 1 1 38 38 VAL HA H 38 4.439 4.439 4.280 0.159 25442 9234 1 19 . 1 1 38 38 VAL CA C 38 61.064 61.064 62.173 -1.109 25442 9235 1 19 . 1 1 38 38 VAL CB C 38 32.842 32.842 32.099 0.743 25442 9236 1 19 . 1 1 38 38 VAL H H 38 9.099 9.099 8.038 1.061 25442 9237 1 19 . 1 1 39 39 ASP N N 39 118.912 118.912 120.291 -1.379 25442 9238 1 19 . 1 1 39 39 ASP HA H 39 4.920 4.920 4.917 0.003 25442 9239 1 19 . 1 1 39 39 ASP CA C 39 54.860 54.860 54.012 0.848 25442 9240 1 19 . 1 1 39 39 ASP CB C 39 44.441 44.441 45.375 -0.934 25442 9241 1 19 . 1 1 39 39 ASP H H 39 7.300 7.300 7.690 -0.390 25442 9242 1 19 . 1 1 40 40 VAL N N 40 123.365 123.365 121.050 2.315 25442 9243 1 19 . 1 1 40 40 VAL HA H 40 4.759 4.759 4.692 0.067 25442 9244 1 19 . 1 1 40 40 VAL CA C 40 61.259 61.259 61.119 0.140 25442 9245 1 19 . 1 1 40 40 VAL CB C 40 34.464 34.464 34.691 -0.227 25442 9246 1 19 . 1 1 40 40 VAL H H 40 8.052 8.052 8.483 -0.431 25442 9247 1 19 . 1 1 41 41 ILE N N 41 127.951 127.951 128.487 -0.536 25442 9248 1 19 . 1 1 41 41 ILE HA H 41 4.361 4.361 4.388 -0.027 25442 9249 1 19 . 1 1 41 41 ILE CA C 41 60.204 60.204 60.233 -0.029 25442 9250 1 19 . 1 1 41 41 ILE CB C 41 41.220 41.220 40.199 1.021 25442 9251 1 19 . 1 1 41 41 ILE H H 41 9.031 9.031 8.564 0.467 25442 9252 1 19 . 1 1 42 42 LEU N N 42 130.034 130.034 127.389 2.645 25442 9253 1 19 . 1 1 42 42 LEU HA H 42 4.415 4.415 4.354 0.061 25442 9254 1 19 . 1 1 42 42 LEU CA C 42 53.832 53.832 53.521 0.311 25442 9255 1 19 . 1 1 42 42 LEU CB C 42 44.353 44.353 43.969 0.384 25442 9256 1 19 . 1 1 42 42 LEU H H 42 8.935 8.935 8.374 0.561 25442 9257 1 19 . 1 1 43 43 SER N N 43 121.977 121.977 117.889 4.088 25442 9258 1 19 . 1 1 43 43 SER HA H 43 4.092 4.092 4.071 0.021 25442 9259 1 19 . 1 1 43 43 SER CA C 43 59.298 59.298 59.001 0.297 25442 9260 1 19 . 1 1 43 43 SER CB C 43 62.879 62.879 63.356 -0.477 25442 9261 1 19 . 1 1 43 43 SER H H 43 8.088 8.088 7.720 0.368 25442 9262 1 19 . 1 1 44 44 ARG N N 44 125.852 125.852 122.221 3.631 25442 9263 1 19 . 1 1 44 44 ARG HA H 44 4.906 4.906 4.494 0.412 25442 9264 1 19 . 1 1 44 44 ARG CA C 44 54.363 54.363 54.784 -0.421 25442 9265 1 19 . 1 1 44 44 ARG CB C 44 34.095 34.095 32.159 1.936 25442 9266 1 19 . 1 1 44 44 ARG H H 44 8.081 8.081 7.927 0.154 25442 9267 1 19 . 1 1 45 45 ASP N N 45 123.150 123.150 121.161 1.989 25442 9268 1 19 . 1 1 45 45 ASP HA H 45 4.425 4.425 4.397 0.028 25442 9269 1 19 . 1 1 45 45 ASP CA C 45 54.728 54.728 54.249 0.479 25442 9270 1 19 . 1 1 45 45 ASP CB C 45 43.318 43.318 42.111 1.206 25442 9271 1 19 . 1 1 45 45 ASP H H 45 8.594 8.594 8.522 0.072 25442 9272 1 19 . 1 1 46 46 GLU N N 46 127.786 127.786 123.919 3.867 25442 9273 1 19 . 1 1 46 46 GLU HA H 46 4.048 4.048 4.124 -0.076 25442 9274 1 19 . 1 1 46 46 GLU CA C 46 59.018 59.018 58.479 0.539 25442 9275 1 19 . 1 1 46 46 GLU CB C 46 29.870 29.870 29.302 0.568 25442 9276 1 19 . 1 1 46 46 GLU H H 46 9.250 9.250 8.739 0.511 25442 9277 1 19 . 1 1 47 47 ASN N N 47 116.105 116.105 116.262 -0.157 25442 9278 1 19 . 1 1 47 47 ASN HA H 47 4.825 4.825 4.520 0.305 25442 9279 1 19 . 1 1 47 47 ASN CA C 47 55.321 55.321 55.255 0.066 25442 9280 1 19 . 1 1 47 47 ASN CB C 47 39.927 39.927 38.173 1.754 25442 9281 1 19 . 1 1 47 47 ASN H H 47 8.857 8.857 8.558 0.299 25442 9282 1 19 . 1 1 48 48 THR N N 48 108.395 108.395 111.700 -3.305 25442 9283 1 19 . 1 1 48 48 THR HA H 48 4.461 4.461 4.352 0.109 25442 9284 1 19 . 1 1 48 48 THR CA C 48 61.883 61.883 63.118 -1.235 25442 9285 1 19 . 1 1 48 48 THR CB C 48 71.194 71.194 70.039 1.155 25442 9286 1 19 . 1 1 48 48 THR H H 48 8.539 8.539 7.833 0.706 25442 9287 1 19 . 1 1 49 49 GLY N N 49 110.910 110.910 108.989 1.921 25442 9288 1 19 . 1 1 49 49 GLY CA C 49 45.706 45.706 45.426 0.280 25442 9289 1 19 . 1 1 49 49 GLY H H 49 8.293 8.293 8.149 0.144 25442 9290 1 19 . 1 1 50 50 GLU N N 50 120.328 120.328 120.279 0.049 25442 9291 1 19 . 1 1 50 50 GLU HA H 50 4.162 4.162 4.775 -0.613 25442 9292 1 19 . 1 1 50 50 GLU CA C 50 56.540 56.540 55.401 1.139 25442 9293 1 19 . 1 1 50 50 GLU CB C 50 30.948 30.948 32.683 -1.735 25442 9294 1 19 . 1 1 50 50 GLU H H 50 7.854 7.854 8.372 -0.518 25442 9295 1 19 . 1 1 51 51 SER N N 51 117.235 117.235 119.543 -2.308 25442 9296 1 19 . 1 1 51 51 SER HA H 51 4.391 4.391 4.519 -0.128 25442 9297 1 19 . 1 1 51 51 SER CA C 51 58.361 58.361 60.506 -2.145 25442 9298 1 19 . 1 1 51 51 SER CB C 51 64.438 64.438 64.491 -0.053 25442 9299 1 19 . 1 1 51 51 SER H H 51 8.950 8.950 8.934 0.016 25442 9300 1 19 . 1 1 52 52 GLN N N 52 122.996 122.996 119.718 3.278 25442 9301 1 19 . 1 1 52 52 GLN HA H 52 4.516 4.516 4.070 0.446 25442 9302 1 19 . 1 1 52 52 GLN CA C 52 55.406 55.406 57.711 -2.305 25442 9303 1 19 . 1 1 52 52 GLN CB C 52 29.624 29.624 28.076 1.548 25442 9304 1 19 . 1 1 52 52 GLN H H 52 8.929 8.929 8.784 0.145 25442 9305 1 19 . 1 1 53 53 GLY N N 53 106.139 106.139 106.438 -0.299 25442 9306 1 19 . 1 1 53 53 GLY CA C 53 46.434 46.434 45.201 1.233 25442 9307 1 19 . 1 1 53 53 GLY H H 53 8.876 8.876 8.574 0.302 25442 9308 1 19 . 1 1 54 54 PHE N N 54 112.294 112.294 116.023 -3.729 25442 9309 1 19 . 1 1 54 54 PHE HA H 54 5.436 5.436 5.585 -0.149 25442 9310 1 19 . 1 1 54 54 PHE CA C 54 55.464 55.464 53.683 1.781 25442 9311 1 19 . 1 1 54 54 PHE CB C 54 41.207 41.207 41.360 -0.153 25442 9312 1 19 . 1 1 54 54 PHE H H 54 6.938 6.938 7.412 -0.474 25442 9313 1 19 . 1 1 55 55 ALA N N 55 121.935 121.935 120.021 1.914 25442 9314 1 19 . 1 1 55 55 ALA HA H 55 5.051 5.051 4.190 0.861 25442 9315 1 19 . 1 1 55 55 ALA CA C 55 49.517 49.517 51.014 -1.497 25442 9316 1 19 . 1 1 55 55 ALA CB C 55 24.966 24.966 22.071 2.895 25442 9317 1 19 . 1 1 55 55 ALA H H 55 9.098 9.098 7.696 1.402 25442 9318 1 19 . 1 1 56 56 TYR N N 56 114.799 114.799 118.263 -3.464 25442 9319 1 19 . 1 1 56 56 TYR HA H 56 5.652 5.652 5.345 0.307 25442 9320 1 19 . 1 1 56 56 TYR CA C 56 56.128 56.128 56.750 -0.622 25442 9321 1 19 . 1 1 56 56 TYR CB C 56 42.405 42.405 41.303 1.102 25442 9322 1 19 . 1 1 56 56 TYR H H 56 8.572 8.572 8.619 -0.047 25442 9323 1 19 . 1 1 57 57 LEU N N 57 123.129 123.129 122.183 0.946 25442 9324 1 19 . 1 1 57 57 LEU HA H 57 5.100 5.100 4.741 0.359 25442 9325 1 19 . 1 1 57 57 LEU CA C 57 54.552 54.552 54.203 0.348 25442 9326 1 19 . 1 1 57 57 LEU H H 57 8.600 8.600 8.692 -0.092 25442 9327 1 19 . 1 1 58 58 LYS N N 58 126.556 126.556 126.938 -0.382 25442 9328 1 19 . 1 1 58 58 LYS HA H 58 4.553 4.553 4.191 0.362 25442 9329 1 19 . 1 1 58 58 LYS CA C 58 54.518 54.518 54.099 0.419 25442 9330 1 19 . 1 1 58 58 LYS CB C 58 36.254 36.254 33.808 2.446 25442 9331 1 19 . 1 1 58 58 LYS H H 58 8.389 8.389 8.181 0.208 25442 9332 1 19 . 1 1 59 59 TYR N N 59 126.761 126.761 123.875 2.886 25442 9333 1 19 . 1 1 59 59 TYR HA H 59 5.061 5.061 4.618 0.443 25442 9334 1 19 . 1 1 59 59 TYR CA C 59 58.271 58.271 56.536 1.735 25442 9335 1 19 . 1 1 59 59 TYR H H 59 9.035 9.035 7.744 1.291 25442 9336 1 19 . 1 1 60 60 GLU N N 60 120.097 120.097 119.215 0.882 25442 9337 1 19 . 1 1 60 60 GLU HA H 60 3.890 3.890 4.281 -0.391 25442 9338 1 19 . 1 1 60 60 GLU CA C 60 59.244 59.244 57.600 1.644 25442 9339 1 19 . 1 1 60 60 GLU CB C 60 31.145 31.145 30.482 0.663 25442 9340 1 19 . 1 1 60 60 GLU H H 60 8.796 8.796 9.054 -0.258 25442 9341 1 19 . 1 1 61 61 ASP N N 61 117.697 117.697 118.318 -0.621 25442 9342 1 19 . 1 1 61 61 ASP HA H 61 4.842 4.842 4.833 0.009 25442 9343 1 19 . 1 1 61 61 ASP CA C 61 51.550 51.550 52.747 -1.197 25442 9344 1 19 . 1 1 61 61 ASP CB C 61 43.258 43.258 42.526 0.732 25442 9345 1 19 . 1 1 61 61 ASP H H 61 8.006 8.006 8.069 -0.063 25442 9346 1 19 . 1 1 62 62 GLN N N 62 126.321 126.321 121.712 4.609 25442 9347 1 19 . 1 1 62 62 GLN HA H 62 4.223 4.223 3.384 0.839 25442 9348 1 19 . 1 1 62 62 GLN CA C 62 58.637 58.637 58.592 0.045 25442 9349 1 19 . 1 1 62 62 GLN CB C 62 27.994 27.994 28.727 -0.733 25442 9350 1 19 . 1 1 62 62 GLN H H 62 9.053 9.053 8.841 0.212 25442 9351 1 19 . 1 1 63 63 ARG N N 63 121.086 121.086 117.533 3.553 25442 9352 1 19 . 1 1 63 63 ARG HA H 63 3.654 3.654 3.945 -0.291 25442 9353 1 19 . 1 1 63 63 ARG CA C 63 58.971 58.971 59.367 -0.396 25442 9354 1 19 . 1 1 63 63 ARG H H 63 8.960 8.960 8.452 0.508 25442 9355 1 19 . 1 1 64 64 SER N N 64 114.891 114.891 114.268 0.623 25442 9356 1 19 . 1 1 64 64 SER HA H 64 3.704 3.704 4.167 -0.463 25442 9357 1 19 . 1 1 64 64 SER CA C 64 63.589 63.589 61.895 1.694 25442 9358 1 19 . 1 1 64 64 SER H H 64 8.143 8.143 7.754 0.389 25442 9359 1 19 . 1 1 65 65 THR N N 65 111.019 111.019 115.740 -4.721 25442 9360 1 19 . 1 1 65 65 THR HA H 65 3.765 3.765 3.992 -0.227 25442 9361 1 19 . 1 1 65 65 THR CA C 65 66.198 66.198 65.895 0.303 25442 9362 1 19 . 1 1 65 65 THR CB C 65 68.461 68.461 68.172 0.289 25442 9363 1 19 . 1 1 65 65 THR H H 65 7.633 7.633 7.336 0.297 25442 9364 1 19 . 1 1 66 66 ILE N N 66 123.242 123.242 122.568 0.674 25442 9365 1 19 . 1 1 66 66 ILE HA H 66 3.673 3.673 3.769 -0.096 25442 9366 1 19 . 1 1 66 66 ILE CA C 66 64.506 64.506 64.796 -0.290 25442 9367 1 19 . 1 1 66 66 ILE CB C 66 38.668 38.668 37.752 0.916 25442 9368 1 19 . 1 1 66 66 ILE H H 66 6.648 6.648 7.212 -0.564 25442 9369 1 19 . 1 1 67 67 LEU N N 67 113.375 113.375 119.643 -6.268 25442 9370 1 19 . 1 1 67 67 LEU HA H 67 3.627 3.627 3.994 -0.367 25442 9371 1 19 . 1 1 67 67 LEU CA C 67 57.678 57.678 57.984 -0.306 25442 9372 1 19 . 1 1 67 67 LEU CB C 67 41.866 41.866 41.467 0.400 25442 9373 1 19 . 1 1 67 67 LEU H H 67 6.899 6.899 7.806 -0.907 25442 9374 1 19 . 1 1 68 68 ALA N N 68 120.327 120.327 122.141 -1.814 25442 9375 1 19 . 1 1 68 68 ALA HA H 68 3.406 3.406 3.895 -0.489 25442 9376 1 19 . 1 1 68 68 ALA CA C 68 55.643 55.643 55.223 0.420 25442 9377 1 19 . 1 1 68 68 ALA CB C 68 19.395 19.395 18.656 0.739 25442 9378 1 19 . 1 1 68 68 ALA H H 68 8.201 8.201 8.103 0.098 25442 9379 1 19 . 1 1 69 69 VAL N N 69 118.977 118.977 113.986 4.991 25442 9380 1 19 . 1 1 69 69 VAL HA H 69 3.221 3.221 3.793 -0.572 25442 9381 1 19 . 1 1 69 69 VAL CA C 69 67.039 67.039 65.444 1.595 25442 9382 1 19 . 1 1 69 69 VAL CB C 69 31.896 31.896 31.621 0.275 25442 9383 1 19 . 1 1 69 69 VAL H H 69 8.235 8.235 7.846 0.389 25442 9384 1 19 . 1 1 70 70 ASP N N 70 116.894 116.894 120.364 -3.470 25442 9385 1 19 . 1 1 70 70 ASP HA H 70 3.941 3.941 4.533 -0.592 25442 9386 1 19 . 1 1 70 70 ASP CA C 70 57.576 57.576 56.693 0.883 25442 9387 1 19 . 1 1 70 70 ASP CB C 70 39.037 39.037 41.457 -2.420 25442 9388 1 19 . 1 1 70 70 ASP H H 70 8.152 8.152 7.842 0.310 25442 9389 1 19 . 1 1 71 71 ASN N N 71 110.936 110.936 115.310 -4.374 25442 9390 1 19 . 1 1 71 71 ASN HA H 71 5.009 5.009 4.812 0.197 25442 9391 1 19 . 1 1 71 71 ASN CA C 71 55.710 55.710 54.130 1.580 25442 9392 1 19 . 1 1 71 71 ASN CB C 71 42.091 42.091 40.482 1.609 25442 9393 1 19 . 1 1 71 71 ASN H H 71 7.562 7.562 7.797 -0.235 25442 9394 1 19 . 1 1 72 72 LEU N N 72 116.460 116.460 119.019 -2.559 25442 9395 1 19 . 1 1 72 72 LEU HA H 72 4.686 4.686 4.259 0.427 25442 9396 1 19 . 1 1 72 72 LEU CA C 72 54.411 54.411 55.140 -0.729 25442 9397 1 19 . 1 1 72 72 LEU CB C 72 42.477 42.477 41.009 1.468 25442 9398 1 19 . 1 1 72 72 LEU H H 72 8.406 8.406 7.666 0.740 25442 9399 1 19 . 1 1 73 73 ASN N N 73 118.618 118.618 117.924 0.694 25442 9400 1 19 . 1 1 73 73 ASN HA H 73 4.419 4.419 4.716 -0.297 25442 9401 1 19 . 1 1 73 73 ASN CA C 73 56.716 56.716 53.586 3.130 25442 9402 1 19 . 1 1 73 73 ASN CB C 73 39.452 39.452 38.179 1.273 25442 9403 1 19 . 1 1 73 73 ASN H H 73 6.956 6.956 7.590 -0.634 25442 9404 1 19 . 1 1 74 74 GLY N N 74 116.095 116.095 115.411 0.684 25442 9405 1 19 . 1 1 74 74 GLY CA C 74 45.912 45.912 45.355 0.557 25442 9406 1 19 . 1 1 74 74 GLY H H 74 9.379 9.379 8.426 0.953 25442 9407 1 19 . 1 1 75 75 PHE N N 75 123.354 123.354 121.019 2.335 25442 9408 1 19 . 1 1 75 75 PHE HA H 75 4.311 4.311 4.289 0.022 25442 9409 1 19 . 1 1 75 75 PHE CA C 75 58.979 58.979 58.679 0.300 25442 9410 1 19 . 1 1 75 75 PHE CB C 75 41.709 41.709 40.218 1.491 25442 9411 1 19 . 1 1 75 75 PHE H H 75 8.211 8.211 7.270 0.941 25442 9412 1 19 . 1 1 76 76 LYS N N 76 127.267 127.267 128.323 -1.056 25442 9413 1 19 . 1 1 76 76 LYS HA H 76 4.598 4.598 4.704 -0.106 25442 9414 1 19 . 1 1 76 76 LYS CA C 76 56.529 56.529 56.613 -0.084 25442 9415 1 19 . 1 1 76 76 LYS CB C 76 33.073 33.073 32.054 1.019 25442 9416 1 19 . 1 1 76 76 LYS H H 76 7.648 7.648 8.264 -0.616 25442 9417 1 19 . 1 1 77 77 ILE N N 77 121.576 121.576 125.281 -3.705 25442 9418 1 19 . 1 1 77 77 ILE HA H 77 4.406 4.406 4.314 0.092 25442 9419 1 19 . 1 1 77 77 ILE CA C 77 60.214 60.214 61.275 -1.061 25442 9420 1 19 . 1 1 77 77 ILE CB C 77 40.048 40.048 40.755 -0.707 25442 9421 1 19 . 1 1 77 77 ILE H H 77 8.100 8.100 9.098 -0.998 25442 9422 1 19 . 1 1 78 78 GLY CA C 78 47.118 47.118 45.258 1.860 25442 9423 1 19 . 1 1 79 79 GLY CA C 79 45.171 45.171 44.919 0.253 25442 9424 1 19 . 1 1 80 80 ARG N N 80 119.377 119.377 120.556 -1.179 25442 9425 1 19 . 1 1 80 80 ARG HA H 80 4.650 4.650 4.661 -0.011 25442 9426 1 19 . 1 1 80 80 ARG CA C 80 54.849 54.849 54.422 0.427 25442 9427 1 19 . 1 1 80 80 ARG CB C 80 33.411 33.411 33.393 0.018 25442 9428 1 19 . 1 1 80 80 ARG H H 80 7.379 7.379 7.540 -0.161 25442 9429 1 19 . 1 1 81 81 ALA N N 81 126.782 126.782 125.585 1.197 25442 9430 1 19 . 1 1 81 81 ALA HA H 81 4.137 4.137 5.152 -1.015 25442 9431 1 19 . 1 1 81 81 ALA CA C 81 51.454 51.454 50.710 0.744 25442 9432 1 19 . 1 1 81 81 ALA CB C 81 19.131 19.131 19.723 -0.592 25442 9433 1 19 . 1 1 81 81 ALA H H 81 8.734 8.734 8.475 0.259 25442 9434 1 19 . 1 1 82 82 LEU N N 82 125.769 125.769 126.054 -0.285 25442 9435 1 19 . 1 1 82 82 LEU HA H 82 4.390 4.390 4.422 -0.032 25442 9436 1 19 . 1 1 82 82 LEU CA C 82 56.196 56.196 56.244 -0.048 25442 9437 1 19 . 1 1 82 82 LEU CB C 82 43.362 43.362 43.397 -0.035 25442 9438 1 19 . 1 1 82 82 LEU H H 82 8.736 8.736 8.531 0.205 25442 9439 1 19 . 1 1 83 83 LYS N N 83 123.851 123.851 124.507 -0.656 25442 9440 1 19 . 1 1 83 83 LYS HA H 83 5.005 5.005 4.679 0.326 25442 9441 1 19 . 1 1 83 83 LYS CA C 83 54.790 54.790 54.917 -0.127 25442 9442 1 19 . 1 1 83 83 LYS CB C 83 34.212 34.212 33.950 0.262 25442 9443 1 19 . 1 1 83 83 LYS H H 83 7.838 7.838 8.107 -0.269 25442 9444 1 19 . 1 1 84 84 ILE N N 84 125.629 125.629 126.110 -0.481 25442 9445 1 19 . 1 1 84 84 ILE HA H 84 5.576 5.576 5.198 0.378 25442 9446 1 19 . 1 1 84 84 ILE CA C 84 58.513 58.513 58.551 -0.038 25442 9447 1 19 . 1 1 84 84 ILE CB C 84 40.310 40.310 38.086 2.224 25442 9448 1 19 . 1 1 84 84 ILE H H 84 8.727 8.727 8.529 0.198 25442 9449 1 19 . 1 1 85 85 ASP N N 85 124.427 124.427 126.933 -2.506 25442 9450 1 19 . 1 1 85 85 ASP HA H 85 5.094 5.094 4.952 0.142 25442 9451 1 19 . 1 1 85 85 ASP CA C 85 52.697 52.697 53.393 -0.696 25442 9452 1 19 . 1 1 85 85 ASP CB C 85 45.574 45.574 44.096 1.478 25442 9453 1 19 . 1 1 85 85 ASP H H 85 8.960 8.960 8.701 0.259 25442 9454 1 19 . 1 1 86 86 HIS N N 86 121.356 121.356 122.253 -0.897 25442 9455 1 19 . 1 1 86 86 HIS HA H 86 4.635 4.635 4.757 -0.122 25442 9456 1 19 . 1 1 86 86 HIS CA C 86 58.158 58.158 56.651 1.507 25442 9457 1 19 . 1 1 86 86 HIS CB C 86 31.368 31.368 30.866 0.502 25442 9458 1 19 . 1 1 86 86 HIS H H 86 8.783 8.783 8.648 0.135 25442 9459 1 19 . 1 1 87 87 THR N N 87 114.331 114.331 116.186 -1.855 25442 9460 1 19 . 1 1 87 87 THR HA H 87 4.691 4.691 4.595 0.096 25442 9461 1 19 . 1 1 87 87 THR CA C 87 60.890 60.890 60.306 0.584 25442 9462 1 19 . 1 1 87 87 THR CB C 87 70.215 70.215 71.254 -1.039 25442 9463 1 19 . 1 1 87 87 THR H H 87 8.032 8.032 8.172 -0.140 25442 9464 1 19 . 1 1 88 88 PHE N N 88 118.673 118.673 122.515 -3.842 25442 9465 1 19 . 1 1 88 88 PHE HA H 88 4.305 4.305 5.024 -0.719 25442 9466 1 19 . 1 1 88 88 PHE CA C 88 58.926 58.926 56.663 2.263 25442 9467 1 19 . 1 1 88 88 PHE CB C 88 39.673 39.673 39.329 0.344 25442 9468 1 19 . 1 1 88 88 PHE H H 88 8.233 8.233 8.738 -0.505 25442 9469 1 19 . 1 1 89 89 TYR N N 89 124.182 124.182 123.395 0.787 25442 9470 1 19 . 1 1 89 89 TYR HA H 89 4.193 4.193 4.166 0.027 25442 9471 1 19 . 1 1 89 89 TYR CA C 89 58.510 58.510 58.543 -0.033 25442 9472 1 19 . 1 1 89 89 TYR CB C 89 39.993 39.993 39.268 0.725 25442 9473 1 19 . 1 1 89 89 TYR H H 89 8.246 8.246 7.492 0.754 25442 9474 1 19 . 1 1 90 90 ARG N N 90 125.111 125.111 126.173 -1.062 25442 9475 1 19 . 1 1 90 90 ARG HA H 90 4.219 4.219 4.212 0.007 25442 9476 1 19 . 1 1 90 90 ARG CA C 90 52.511 52.511 52.979 -0.468 25442 9477 1 19 . 1 1 90 90 ARG CB C 90 31.298 31.298 29.253 2.045 25442 9478 1 19 . 1 1 90 90 ARG H H 90 7.223 7.223 8.012 -0.789 25442 9479 1 19 . 1 1 91 91 PRO HA H 91 4.028 4.028 3.954 0.074 25442 9480 1 19 . 1 1 91 91 PRO CA C 91 62.759 62.759 62.710 0.049 25442 9481 1 19 . 1 1 91 91 PRO CB C 91 32.074 32.074 32.409 -0.335 25442 9482 1 19 . 1 1 94 94 SER HA H 94 4.466 4.466 4.502 -0.036 25442 9483 1 19 . 1 1 94 94 SER CA C 94 58.273 58.273 57.856 0.417 25442 9484 1 19 . 1 1 94 94 SER CB C 94 63.656 63.656 63.772 -0.116 25442 9485 1 19 . 1 1 95 95 LEU HA H 95 4.369 4.369 3.885 0.484 25442 9486 1 19 . 1 1 95 95 LEU CA C 95 55.482 55.482 55.724 -0.242 25442 9487 1 19 . 1 1 95 95 LEU CB C 95 42.350 42.350 41.119 1.231 25442 9488 1 19 . 1 1 97 97 LYS HA H 97 4.197 4.197 3.968 0.229 25442 9489 1 19 . 1 1 97 97 LYS CA C 97 56.923 56.923 57.675 -0.752 25442 9490 1 19 . 1 1 97 97 LYS CB C 97 32.936 32.936 30.820 2.116 25442 9491 1 19 . 1 1 98 98 TYR N N 98 120.486 120.486 120.027 0.459 25442 9492 1 19 . 1 1 98 98 TYR HA H 98 4.477 4.477 4.107 0.370 25442 9493 1 19 . 1 1 98 98 TYR CA C 98 58.249 58.249 61.613 -3.364 25442 9494 1 19 . 1 1 98 98 TYR CB C 98 38.659 38.659 38.608 0.051 25442 9495 1 19 . 1 1 98 98 TYR H H 98 7.979 7.979 7.632 0.347 25442 9496 1 19 . 1 1 99 99 TYR N N 99 120.784 120.784 119.490 1.294 25442 9497 1 19 . 1 1 99 99 TYR HA H 99 4.455 4.455 4.016 0.439 25442 9498 1 19 . 1 1 99 99 TYR CA C 99 58.281 58.281 61.857 -3.576 25442 9499 1 19 . 1 1 99 99 TYR CB C 99 38.902 38.902 37.995 0.907 25442 9500 1 19 . 1 1 99 99 TYR H H 99 7.918 7.918 8.802 -0.884 25442 9501 1 19 . 1 1 100 100 GLU N N 100 122.033 122.033 117.086 4.947 25442 9502 1 19 . 1 1 100 100 GLU HA H 100 4.171 4.171 3.864 0.307 25442 9503 1 19 . 1 1 100 100 GLU CA C 100 56.766 56.766 58.954 -2.188 25442 9504 1 19 . 1 1 100 100 GLU H H 100 8.055 8.055 8.692 -0.637 25442 9505 1 19 . 1 1 101 101 ALA N N 101 124.629 124.629 122.312 2.317 25442 9506 1 19 . 1 1 101 101 ALA HA H 101 4.283 4.283 4.003 0.280 25442 9507 1 19 . 1 1 101 101 ALA CA C 101 52.795 52.795 55.097 -2.303 25442 9508 1 19 . 1 1 101 101 ALA CB C 101 19.150 19.150 18.112 1.038 25442 9509 1 19 . 1 1 101 101 ALA H H 101 8.040 8.040 7.535 0.505 25442 9510 1 19 . 1 1 102 102 VAL N N 102 119.031 119.031 113.869 5.162 25442 9511 1 19 . 1 1 102 102 VAL HA H 102 4.039 4.039 3.567 0.472 25442 9512 1 19 . 1 1 102 102 VAL CA C 102 62.675 62.675 64.745 -2.070 25442 9513 1 19 . 1 1 102 102 VAL CB C 102 32.610 32.610 31.029 1.581 25442 9514 1 19 . 1 1 102 102 VAL H H 102 7.960 7.960 7.619 0.341 25442 9515 1 19 . 1 1 103 103 LYS N N 103 124.562 124.562 121.195 3.367 25442 9516 1 19 . 1 1 103 103 LYS HA H 103 4.258 4.258 3.754 0.504 25442 9517 1 19 . 1 1 103 103 LYS CA C 103 56.797 56.797 59.748 -2.951 25442 9518 1 19 . 1 1 103 103 LYS CB C 103 33.012 33.012 32.053 0.959 25442 9519 1 19 . 1 1 103 103 LYS H H 103 8.207 8.207 7.344 0.863 25442 9520 1 19 . 1 1 104 104 GLU N N 104 121.722 121.722 117.460 4.262 25442 9521 1 19 . 1 1 104 104 GLU HA H 104 4.263 4.263 4.022 0.241 25442 9522 1 19 . 1 1 104 104 GLU CA C 104 57.034 57.034 58.724 -1.690 25442 9523 1 19 . 1 1 104 104 GLU CB C 104 30.351 30.351 29.432 0.919 25442 9524 1 19 . 1 1 104 104 GLU H H 104 8.325 8.325 7.922 0.403 25442 9525 1 19 . 1 1 105 105 GLU N N 105 121.479 121.479 118.581 2.898 25442 9526 1 19 . 1 1 105 105 GLU HA H 105 4.264 4.264 3.998 0.266 25442 9527 1 19 . 1 1 105 105 GLU CA C 105 56.802 56.802 58.700 -1.898 25442 9528 1 19 . 1 1 105 105 GLU CB C 105 30.351 30.351 29.844 0.507 25442 9529 1 19 . 1 1 105 105 GLU H H 105 8.288 8.288 7.680 0.608 25442 9530 1 19 . 1 1 106 106 LEU N N 106 122.549 122.549 118.385 4.164 25442 9531 1 19 . 1 1 106 106 LEU HA H 106 4.316 4.316 4.072 0.244 25442 9532 1 19 . 1 1 106 106 LEU CA C 106 55.545 55.545 56.776 -1.232 25442 9533 1 19 . 1 1 106 106 LEU CB C 106 42.538 42.538 42.452 0.086 25442 9534 1 19 . 1 1 106 106 LEU H H 106 8.154 8.154 7.949 0.205 25442 9535 1 19 . 1 1 107 107 ASP N N 107 120.656 120.656 116.885 3.771 25442 9536 1 19 . 1 1 107 107 ASP HA H 107 4.587 4.587 4.613 -0.026 25442 9537 1 19 . 1 1 107 107 ASP CA C 107 54.715 54.715 53.556 1.159 25442 9538 1 19 . 1 1 107 107 ASP CB C 107 41.125 41.125 40.048 1.077 25442 9539 1 19 . 1 1 107 107 ASP H H 107 8.273 8.273 7.623 0.650 25442 9540 1 19 . 1 1 108 108 ARG N N 108 120.710 120.710 122.509 -1.799 25442 9541 1 19 . 1 1 108 108 ARG HA H 108 4.272 4.272 4.073 0.199 25442 9542 1 19 . 1 1 108 108 ARG CA C 108 56.778 56.778 58.062 -1.284 25442 9543 1 19 . 1 1 108 108 ARG CB C 108 30.835 30.835 30.754 0.081 25442 9544 1 19 . 1 1 108 108 ARG H H 108 8.041 8.041 8.017 0.024 25442 9545 1 19 . 1 1 109 109 ASP N N 109 120.647 120.647 114.812 5.835 25442 9546 1 19 . 1 1 109 109 ASP CA C 109 54.862 54.862 53.432 1.430 25442 9547 1 19 . 1 1 109 109 ASP H H 109 8.331 8.331 7.871 0.460 25442 9548 1 19 . 1 1 110 110 ILE N N 110 120.220 120.220 118.822 1.398 25442 9549 1 19 . 1 1 110 110 ILE HA H 110 4.140 4.140 4.523 -0.383 25442 9550 1 19 . 1 1 110 110 ILE CA C 110 61.760 61.760 60.705 1.055 25442 9551 1 19 . 1 1 110 110 ILE CB C 110 38.643 38.643 39.125 -0.482 25442 9552 1 19 . 1 1 110 110 ILE H H 110 7.910 7.910 8.109 -0.199 25442 9553 1 19 . 1 1 111 111 VAL N N 111 122.698 122.698 124.809 -2.111 25442 9554 1 19 . 1 1 111 111 VAL HA H 111 4.095 4.095 4.374 -0.279 25442 9555 1 19 . 1 1 111 111 VAL CA C 111 62.982 62.982 62.377 0.605 25442 9556 1 19 . 1 1 111 111 VAL CB C 111 32.438 32.438 33.457 -1.019 25442 9557 1 19 . 1 1 111 111 VAL H H 111 8.018 8.018 8.322 -0.304 25442 9558 1 19 . 1 1 112 112 SER HA H 112 4.439 4.439 4.590 -0.151 25442 9559 1 19 . 1 1 112 112 SER CA C 112 58.581 58.581 58.610 -0.029 25442 9560 1 19 . 1 1 112 112 SER CB C 112 63.717 63.717 63.200 0.517 25442 9561 1 19 . 1 1 114 114 ASN HA H 114 4.690 4.690 4.521 0.169 25442 9562 1 19 . 1 1 114 114 ASN CA C 114 53.462 53.462 55.658 -2.196 25442 9563 1 19 . 1 1 114 114 ASN CB C 114 39.073 39.073 37.941 1.132 25442 9564 1 19 . 1 1 115 115 ASN HA H 115 4.690 4.690 4.750 -0.060 25442 9565 1 19 . 1 1 115 115 ASN CA C 115 53.476 53.476 52.542 0.934 25442 9566 1 19 . 1 1 115 115 ASN CB C 115 39.073 39.073 38.242 0.831 25442 9567 1 19 . 1 1 116 116 ALA N N 116 123.691 123.691 121.962 1.729 25442 9568 1 19 . 1 1 116 116 ALA HA H 116 4.355 4.355 4.458 -0.103 25442 9569 1 19 . 1 1 116 116 ALA CA C 116 52.748 52.748 52.829 -0.081 25442 9570 1 19 . 1 1 116 116 ALA CB C 116 19.559 19.559 19.861 -0.302 25442 9571 1 19 . 1 1 116 116 ALA H H 116 8.144 8.144 7.787 0.357 25442 9572 1 19 . 1 1 117 117 GLU N N 117 120.174 120.174 119.969 0.205 25442 9573 1 19 . 1 1 117 117 GLU HA H 117 4.284 4.284 4.119 0.165 25442 9574 1 19 . 1 1 117 117 GLU CA C 117 56.731 56.731 58.036 -1.305 25442 9575 1 19 . 1 1 117 117 GLU CB C 117 29.944 29.944 30.256 -0.312 25442 9576 1 19 . 1 1 117 117 GLU H H 117 8.234 8.234 8.244 -0.010 25442 9577 1 20 . 1 1 2 2 ALA HA H 2 4.335 4.335 4.399 -0.064 25442 9578 1 20 . 1 1 2 2 ALA CA C 2 53.634 53.634 52.178 1.456 25442 9579 1 20 . 1 1 2 2 ALA CB C 2 19.441 19.441 19.423 0.018 25442 9580 1 20 . 1 1 3 3 MET N N 3 120.791 120.791 123.136 -2.345 25442 9581 1 20 . 1 1 3 3 MET HA H 3 4.499 4.499 4.542 -0.043 25442 9582 1 20 . 1 1 3 3 MET CA C 3 55.772 55.772 54.640 1.132 25442 9583 1 20 . 1 1 3 3 MET CB C 3 32.968 32.968 30.158 2.810 25442 9584 1 20 . 1 1 3 3 MET H H 3 8.636 8.636 8.497 0.139 25442 9585 1 20 . 1 1 4 4 GLY N N 4 109.879 109.879 110.853 -0.974 25442 9586 1 20 . 1 1 4 4 GLY CA C 4 45.531 45.531 44.891 0.640 25442 9587 1 20 . 1 1 4 4 GLY H H 4 8.391 8.391 7.832 0.559 25442 9588 1 20 . 1 1 5 5 ASN N N 5 124.309 124.309 118.542 5.767 25442 9589 1 20 . 1 1 5 5 ASN HA H 5 4.661 4.661 4.760 -0.099 25442 9590 1 20 . 1 1 5 5 ASN CA C 5 53.419 53.419 53.364 0.055 25442 9591 1 20 . 1 1 5 5 ASN CB C 5 39.059 39.059 39.392 -0.333 25442 9592 1 20 . 1 1 5 5 ASN H H 5 7.954 7.954 8.581 -0.627 25442 9593 1 20 . 1 1 7 7 TYR N N 7 120.088 120.088 118.341 1.747 25442 9594 1 20 . 1 1 7 7 TYR HA H 7 4.463 4.463 4.831 -0.368 25442 9595 1 20 . 1 1 7 7 TYR CA C 7 58.098 58.098 57.273 0.825 25442 9596 1 20 . 1 1 7 7 TYR CB C 7 38.252 38.252 38.922 -0.670 25442 9597 1 20 . 1 1 7 7 TYR H H 7 8.013 8.013 7.712 0.301 25442 9598 1 20 . 1 1 8 8 LYS N N 8 121.766 121.766 123.330 -1.564 25442 9599 1 20 . 1 1 8 8 LYS HA H 8 4.174 4.174 4.250 -0.076 25442 9600 1 20 . 1 1 8 8 LYS CA C 8 56.835 56.835 56.850 -0.015 25442 9601 1 20 . 1 1 8 8 LYS CB C 8 32.997 32.997 32.577 0.420 25442 9602 1 20 . 1 1 8 8 LYS H H 8 7.845 7.845 7.445 0.400 25442 9603 1 20 . 1 1 9 9 ASP N N 9 119.739 119.739 120.848 -1.109 25442 9604 1 20 . 1 1 9 9 ASP HA H 9 4.477 4.477 4.354 0.123 25442 9605 1 20 . 1 1 9 9 ASP CA C 9 54.660 54.660 55.800 -1.139 25442 9606 1 20 . 1 1 9 9 ASP CB C 9 41.100 41.100 38.772 2.328 25442 9607 1 20 . 1 1 9 9 ASP H H 9 8.043 8.043 9.043 -1.000 25442 9608 1 20 . 1 1 10 10 ASN N N 10 119.260 119.260 116.052 3.208 25442 9609 1 20 . 1 1 10 10 ASN HA H 10 4.875 4.875 5.053 -0.178 25442 9610 1 20 . 1 1 10 10 ASN CA C 10 53.255 53.255 53.053 0.202 25442 9611 1 20 . 1 1 10 10 ASN CB C 10 39.105 39.105 40.438 -1.333 25442 9612 1 20 . 1 1 10 10 ASN H H 10 8.174 8.174 7.966 0.208 25442 9613 1 20 . 1 1 11 11 ALA N N 11 122.869 122.869 123.858 -0.989 25442 9614 1 20 . 1 1 11 11 ALA HA H 11 4.544 4.544 4.623 -0.079 25442 9615 1 20 . 1 1 11 11 ALA CA C 11 52.866 52.866 51.618 1.248 25442 9616 1 20 . 1 1 11 11 ALA H H 11 8.299 8.299 7.315 0.984 25442 9617 1 20 . 1 1 12 12 TYR N N 12 117.351 117.351 123.176 -5.825 25442 9618 1 20 . 1 1 12 12 TYR HA H 12 5.220 5.220 5.572 -0.352 25442 9619 1 20 . 1 1 12 12 TYR CA C 12 57.621 57.621 56.247 1.374 25442 9620 1 20 . 1 1 12 12 TYR CB C 12 41.631 41.631 42.266 -0.634 25442 9621 1 20 . 1 1 12 12 TYR H H 12 8.340 8.340 8.185 0.155 25442 9622 1 20 . 1 1 13 13 ILE N N 13 112.184 112.184 117.918 -5.734 25442 9623 1 20 . 1 1 13 13 ILE HA H 13 5.052 5.052 4.885 0.167 25442 9624 1 20 . 1 1 13 13 ILE CA C 13 59.995 59.995 59.306 0.689 25442 9625 1 20 . 1 1 13 13 ILE CB C 13 40.418 40.418 41.664 -1.246 25442 9626 1 20 . 1 1 13 13 ILE H H 13 9.216 9.216 8.305 0.911 25442 9627 1 20 . 1 1 14 14 TYR N N 14 123.504 123.504 126.768 -3.264 25442 9628 1 20 . 1 1 14 14 TYR HA H 14 4.690 4.690 4.847 -0.157 25442 9629 1 20 . 1 1 14 14 TYR CA C 14 56.688 56.688 56.880 -0.192 25442 9630 1 20 . 1 1 14 14 TYR CB C 14 40.564 40.564 39.799 0.765 25442 9631 1 20 . 1 1 14 14 TYR H H 14 9.086 9.086 9.272 -0.186 25442 9632 1 20 . 1 1 15 15 ILE N N 15 127.611 127.611 128.890 -1.279 25442 9633 1 20 . 1 1 15 15 ILE HA H 15 4.288 4.288 4.867 -0.579 25442 9634 1 20 . 1 1 15 15 ILE CA C 15 59.654 59.654 59.772 -0.118 25442 9635 1 20 . 1 1 15 15 ILE CB C 15 40.260 40.260 38.930 1.330 25442 9636 1 20 . 1 1 15 15 ILE H H 15 8.448 8.448 7.727 0.721 25442 9637 1 20 . 1 1 16 16 GLY N N 16 112.660 112.660 112.216 0.444 25442 9638 1 20 . 1 1 16 16 GLY CA C 16 43.240 43.240 43.422 -0.182 25442 9639 1 20 . 1 1 16 16 GLY H H 16 9.438 9.438 8.228 1.210 25442 9640 1 20 . 1 1 17 17 ASN N N 17 114.980 114.980 116.120 -1.140 25442 9641 1 20 . 1 1 17 17 ASN HA H 17 4.439 4.439 4.388 0.051 25442 9642 1 20 . 1 1 17 17 ASN CA C 17 53.251 53.251 54.032 -0.781 25442 9643 1 20 . 1 1 17 17 ASN CB C 17 38.259 38.259 38.024 0.235 25442 9644 1 20 . 1 1 17 17 ASN H H 17 8.497 8.497 8.263 0.234 25442 9645 1 20 . 1 1 18 18 LEU N N 18 115.182 115.182 115.755 -0.573 25442 9646 1 20 . 1 1 18 18 LEU HA H 18 4.068 4.068 4.761 -0.693 25442 9647 1 20 . 1 1 18 18 LEU CA C 18 54.073 54.073 53.794 0.279 25442 9648 1 20 . 1 1 18 18 LEU CB C 18 42.912 42.912 43.178 -0.266 25442 9649 1 20 . 1 1 18 18 LEU H H 18 7.859 7.859 7.165 0.694 25442 9650 1 20 . 1 1 19 19 ASN N N 19 122.392 122.392 120.675 1.717 25442 9651 1 20 . 1 1 19 19 ASN HA H 19 4.464 4.464 4.617 -0.153 25442 9652 1 20 . 1 1 19 19 ASN CA C 19 54.087 54.087 53.728 0.359 25442 9653 1 20 . 1 1 19 19 ASN CB C 19 38.703 38.703 39.939 -1.236 25442 9654 1 20 . 1 1 19 19 ASN H H 19 8.727 8.727 8.888 -0.161 25442 9655 1 20 . 1 1 20 20 ARG N N 20 126.283 126.283 123.342 2.941 25442 9656 1 20 . 1 1 20 20 ARG HA H 20 3.937 3.937 4.014 -0.077 25442 9657 1 20 . 1 1 20 20 ARG CA C 20 58.719 58.719 58.442 0.277 25442 9658 1 20 . 1 1 20 20 ARG CB C 20 29.719 29.719 29.859 -0.140 25442 9659 1 20 . 1 1 20 20 ARG H H 20 8.940 8.940 8.725 0.215 25442 9660 1 20 . 1 1 21 21 GLU N N 21 117.166 117.166 118.283 -1.117 25442 9661 1 20 . 1 1 21 21 GLU HA H 21 4.321 4.321 4.138 0.183 25442 9662 1 20 . 1 1 21 21 GLU CA C 21 56.778 56.778 57.476 -0.698 25442 9663 1 20 . 1 1 21 21 GLU H H 21 8.867 8.867 8.215 0.652 25442 9664 1 20 . 1 1 22 22 LEU N N 22 119.643 119.643 121.484 -1.841 25442 9665 1 20 . 1 1 22 22 LEU HA H 22 4.540 4.540 4.232 0.308 25442 9666 1 20 . 1 1 22 22 LEU CA C 22 55.505 55.505 55.632 -0.127 25442 9667 1 20 . 1 1 22 22 LEU CB C 22 42.251 42.251 41.844 0.407 25442 9668 1 20 . 1 1 22 22 LEU H H 22 7.324 7.324 7.584 -0.260 25442 9669 1 20 . 1 1 23 23 THR N N 23 114.564 114.564 115.852 -1.288 25442 9670 1 20 . 1 1 23 23 THR HA H 23 4.483 4.483 4.531 -0.048 25442 9671 1 20 . 1 1 23 23 THR CA C 23 60.155 60.155 59.759 0.396 25442 9672 1 20 . 1 1 23 23 THR CB C 23 73.000 73.000 70.730 2.270 25442 9673 1 20 . 1 1 23 23 THR H H 23 9.483 9.483 7.836 1.647 25442 9674 1 20 . 1 1 24 24 GLU N N 24 120.458 120.458 119.953 0.505 25442 9675 1 20 . 1 1 24 24 GLU HA H 24 3.604 3.604 4.002 -0.398 25442 9676 1 20 . 1 1 24 24 GLU CA C 24 62.158 62.158 59.983 2.175 25442 9677 1 20 . 1 1 24 24 GLU H H 24 10.410 10.410 8.842 1.568 25442 9678 1 20 . 1 1 25 25 GLY N N 25 105.261 105.261 107.349 -2.088 25442 9679 1 20 . 1 1 25 25 GLY CA C 25 47.219 47.219 46.842 0.377 25442 9680 1 20 . 1 1 25 25 GLY H H 25 8.402 8.402 8.233 0.169 25442 9681 1 20 . 1 1 26 26 ASP N N 26 122.820 122.820 122.252 0.568 25442 9682 1 20 . 1 1 26 26 ASP HA H 26 4.515 4.515 4.437 0.078 25442 9683 1 20 . 1 1 26 26 ASP CA C 26 58.005 58.005 57.097 0.908 25442 9684 1 20 . 1 1 26 26 ASP CB C 26 41.261 41.261 40.994 0.267 25442 9685 1 20 . 1 1 26 26 ASP H H 26 7.539 7.539 7.544 -0.005 25442 9686 1 20 . 1 1 27 27 ILE N N 27 118.686 118.686 120.663 -1.977 25442 9687 1 20 . 1 1 27 27 ILE HA H 27 3.609 3.609 3.787 -0.178 25442 9688 1 20 . 1 1 27 27 ILE CA C 27 65.348 65.348 65.489 -0.141 25442 9689 1 20 . 1 1 27 27 ILE CB C 27 37.789 37.789 38.000 -0.211 25442 9690 1 20 . 1 1 27 27 ILE H H 27 7.832 7.832 7.966 -0.134 25442 9691 1 20 . 1 1 28 28 LEU N N 28 119.737 119.737 120.661 -0.924 25442 9692 1 20 . 1 1 28 28 LEU HA H 28 3.790 3.790 3.887 -0.097 25442 9693 1 20 . 1 1 28 28 LEU CA C 28 59.040 59.040 58.718 0.322 25442 9694 1 20 . 1 1 28 28 LEU CB C 28 42.520 42.520 41.604 0.916 25442 9695 1 20 . 1 1 28 28 LEU H H 28 8.731 8.731 8.550 0.181 25442 9696 1 20 . 1 1 29 29 THR N N 29 119.509 119.509 115.337 4.172 25442 9697 1 20 . 1 1 29 29 THR HA H 29 4.045 4.045 4.036 0.009 25442 9698 1 20 . 1 1 29 29 THR CA C 29 67.196 67.196 66.802 0.394 25442 9699 1 20 . 1 1 29 29 THR CB C 29 69.194 69.194 68.693 0.501 25442 9700 1 20 . 1 1 29 29 THR H H 29 8.251 8.251 8.156 0.095 25442 9701 1 20 . 1 1 30 30 VAL N N 30 117.974 117.974 121.639 -3.665 25442 9702 1 20 . 1 1 30 30 VAL HA H 30 3.869 3.869 3.802 0.067 25442 9703 1 20 . 1 1 30 30 VAL CA C 30 65.727 65.727 66.480 -0.753 25442 9704 1 20 . 1 1 30 30 VAL CB C 30 32.912 32.912 31.816 1.096 25442 9705 1 20 . 1 1 30 30 VAL H H 30 7.627 7.627 8.541 -0.914 25442 9706 1 20 . 1 1 31 31 PHE N N 31 113.937 113.937 117.224 -3.287 25442 9707 1 20 . 1 1 31 31 PHE HA H 31 3.908 3.908 4.637 -0.729 25442 9708 1 20 . 1 1 31 31 PHE CA C 31 62.044 62.044 60.084 1.960 25442 9709 1 20 . 1 1 31 31 PHE CB C 31 37.217 37.217 39.101 -1.884 25442 9710 1 20 . 1 1 31 31 PHE H H 31 8.903 8.903 8.745 0.158 25442 9711 1 20 . 1 1 32 32 SER N N 32 118.854 118.854 116.597 2.257 25442 9712 1 20 . 1 1 32 32 SER HA H 32 5.405 5.405 4.171 1.234 25442 9713 1 20 . 1 1 32 32 SER CA C 32 61.282 61.282 62.431 -1.149 25442 9714 1 20 . 1 1 32 32 SER CB C 32 64.055 64.055 63.019 1.036 25442 9715 1 20 . 1 1 32 32 SER H H 32 8.024 8.024 8.571 -0.547 25442 9716 1 20 . 1 1 33 33 GLU N N 33 121.203 121.203 120.138 1.065 25442 9717 1 20 . 1 1 33 33 GLU HA H 33 2.246 2.246 4.005 -1.759 25442 9718 1 20 . 1 1 33 33 GLU CA C 33 59.596 59.596 58.246 1.350 25442 9719 1 20 . 1 1 33 33 GLU H H 33 6.935 6.935 7.917 -0.982 25442 9720 1 20 . 1 1 34 34 TYR N N 34 108.039 108.039 117.880 -9.841 25442 9721 1 20 . 1 1 34 34 TYR HA H 34 4.953 4.953 4.622 0.331 25442 9722 1 20 . 1 1 34 34 TYR CA C 34 57.226 57.226 56.747 0.479 25442 9723 1 20 . 1 1 34 34 TYR CB C 34 38.821 38.821 37.428 1.393 25442 9724 1 20 . 1 1 34 34 TYR H H 34 6.254 6.254 7.404 -1.150 25442 9725 1 20 . 1 1 35 35 GLY N N 35 103.601 103.601 107.633 -4.032 25442 9726 1 20 . 1 1 35 35 GLY CA C 35 44.594 44.594 44.725 -0.131 25442 9727 1 20 . 1 1 35 35 GLY H H 35 7.247 7.247 7.489 -0.242 25442 9728 1 20 . 1 1 36 36 VAL N N 36 120.482 120.482 123.499 -3.017 25442 9729 1 20 . 1 1 36 36 VAL HA H 36 4.537 4.537 4.241 0.296 25442 9730 1 20 . 1 1 36 36 VAL CA C 36 59.942 59.942 61.259 -1.317 25442 9731 1 20 . 1 1 36 36 VAL CB C 36 33.989 33.989 33.529 0.460 25442 9732 1 20 . 1 1 36 36 VAL H H 36 8.549 8.549 7.782 0.767 25442 9733 1 20 . 1 1 37 37 PRO HA H 37 4.543 4.543 4.604 -0.061 25442 9734 1 20 . 1 1 37 37 PRO CA C 37 62.043 62.043 62.103 -0.060 25442 9735 1 20 . 1 1 37 37 PRO CB C 37 31.531 31.531 32.695 -1.164 25442 9736 1 20 . 1 1 38 38 VAL N N 38 118.566 118.566 114.138 4.428 25442 9737 1 20 . 1 1 38 38 VAL HA H 38 4.439 4.439 4.239 0.200 25442 9738 1 20 . 1 1 38 38 VAL CA C 38 61.064 61.064 62.292 -1.228 25442 9739 1 20 . 1 1 38 38 VAL CB C 38 32.842 32.842 32.404 0.438 25442 9740 1 20 . 1 1 38 38 VAL H H 38 9.099 9.099 8.084 1.015 25442 9741 1 20 . 1 1 39 39 ASP N N 39 118.912 118.912 118.449 0.463 25442 9742 1 20 . 1 1 39 39 ASP HA H 39 4.920 4.920 4.845 0.075 25442 9743 1 20 . 1 1 39 39 ASP CA C 39 54.860 54.860 54.096 0.764 25442 9744 1 20 . 1 1 39 39 ASP CB C 39 44.441 44.441 44.674 -0.233 25442 9745 1 20 . 1 1 39 39 ASP H H 39 7.300 7.300 7.574 -0.274 25442 9746 1 20 . 1 1 40 40 VAL N N 40 123.365 123.365 116.307 7.058 25442 9747 1 20 . 1 1 40 40 VAL HA H 40 4.759 4.759 4.997 -0.238 25442 9748 1 20 . 1 1 40 40 VAL CA C 40 61.259 61.259 59.886 1.373 25442 9749 1 20 . 1 1 40 40 VAL CB C 40 34.464 34.464 35.676 -1.212 25442 9750 1 20 . 1 1 40 40 VAL H H 40 8.052 8.052 8.236 -0.184 25442 9751 1 20 . 1 1 41 41 ILE N N 41 127.951 127.951 123.663 4.288 25442 9752 1 20 . 1 1 41 41 ILE HA H 41 4.361 4.361 4.441 -0.080 25442 9753 1 20 . 1 1 41 41 ILE CA C 41 60.204 60.204 60.464 -0.260 25442 9754 1 20 . 1 1 41 41 ILE CB C 41 41.220 41.220 40.010 1.210 25442 9755 1 20 . 1 1 41 41 ILE H H 41 9.031 9.031 8.726 0.305 25442 9756 1 20 . 1 1 42 42 LEU N N 42 130.034 130.034 129.572 0.462 25442 9757 1 20 . 1 1 42 42 LEU HA H 42 4.415 4.415 4.541 -0.126 25442 9758 1 20 . 1 1 42 42 LEU CA C 42 53.832 53.832 53.566 0.267 25442 9759 1 20 . 1 1 42 42 LEU CB C 42 44.353 44.353 41.489 2.864 25442 9760 1 20 . 1 1 42 42 LEU H H 42 8.935 8.935 8.589 0.346 25442 9761 1 20 . 1 1 43 43 SER N N 43 121.977 121.977 120.072 1.905 25442 9762 1 20 . 1 1 43 43 SER HA H 43 4.092 4.092 4.440 -0.348 25442 9763 1 20 . 1 1 43 43 SER CA C 43 59.298 59.298 58.411 0.887 25442 9764 1 20 . 1 1 43 43 SER CB C 43 62.879 62.879 63.833 -0.954 25442 9765 1 20 . 1 1 43 43 SER H H 43 8.088 8.088 8.427 -0.339 25442 9766 1 20 . 1 1 44 44 ARG N N 44 125.852 125.852 125.555 0.297 25442 9767 1 20 . 1 1 44 44 ARG HA H 44 4.906 4.906 4.407 0.499 25442 9768 1 20 . 1 1 44 44 ARG CA C 44 54.363 54.363 55.733 -1.370 25442 9769 1 20 . 1 1 44 44 ARG CB C 44 34.095 34.095 33.398 0.697 25442 9770 1 20 . 1 1 44 44 ARG H H 44 8.081 8.081 8.227 -0.146 25442 9771 1 20 . 1 1 45 45 ASP N N 45 123.150 123.150 126.358 -3.208 25442 9772 1 20 . 1 1 45 45 ASP HA H 45 4.425 4.425 4.717 -0.292 25442 9773 1 20 . 1 1 45 45 ASP CA C 45 54.728 54.728 53.618 1.110 25442 9774 1 20 . 1 1 45 45 ASP CB C 45 43.318 43.318 41.602 1.716 25442 9775 1 20 . 1 1 45 45 ASP H H 45 8.594 8.594 8.571 0.023 25442 9776 1 20 . 1 1 46 46 GLU N N 46 127.786 127.786 123.218 4.568 25442 9777 1 20 . 1 1 46 46 GLU HA H 46 4.048 4.048 4.185 -0.137 25442 9778 1 20 . 1 1 46 46 GLU CA C 46 59.018 59.018 57.356 1.662 25442 9779 1 20 . 1 1 46 46 GLU CB C 46 29.870 29.870 29.175 0.695 25442 9780 1 20 . 1 1 46 46 GLU H H 46 9.250 9.250 8.991 0.259 25442 9781 1 20 . 1 1 47 47 ASN N N 47 116.105 116.105 117.381 -1.276 25442 9782 1 20 . 1 1 47 47 ASN HA H 47 4.825 4.825 4.593 0.232 25442 9783 1 20 . 1 1 47 47 ASN CA C 47 55.321 55.321 54.934 0.387 25442 9784 1 20 . 1 1 47 47 ASN CB C 47 39.927 39.927 38.485 1.442 25442 9785 1 20 . 1 1 47 47 ASN H H 47 8.857 8.857 8.397 0.460 25442 9786 1 20 . 1 1 48 48 THR N N 48 108.395 108.395 110.169 -1.774 25442 9787 1 20 . 1 1 48 48 THR HA H 48 4.461 4.461 4.562 -0.101 25442 9788 1 20 . 1 1 48 48 THR CA C 48 61.883 61.883 61.883 -0.000 25442 9789 1 20 . 1 1 48 48 THR CB C 48 71.194 71.194 70.203 0.991 25442 9790 1 20 . 1 1 48 48 THR H H 48 8.539 8.539 7.613 0.926 25442 9791 1 20 . 1 1 49 49 GLY N N 49 110.910 110.910 110.856 0.054 25442 9792 1 20 . 1 1 49 49 GLY CA C 49 45.706 45.706 45.471 0.235 25442 9793 1 20 . 1 1 49 49 GLY H H 49 8.293 8.293 8.055 0.238 25442 9794 1 20 . 1 1 50 50 GLU N N 50 120.328 120.328 118.475 1.853 25442 9795 1 20 . 1 1 50 50 GLU HA H 50 4.162 4.162 4.505 -0.343 25442 9796 1 20 . 1 1 50 50 GLU CA C 50 56.540 56.540 55.014 1.526 25442 9797 1 20 . 1 1 50 50 GLU CB C 50 30.948 30.948 31.522 -0.574 25442 9798 1 20 . 1 1 50 50 GLU H H 50 7.854 7.854 7.900 -0.046 25442 9799 1 20 . 1 1 51 51 SER N N 51 117.235 117.235 119.851 -2.616 25442 9800 1 20 . 1 1 51 51 SER HA H 51 4.391 4.391 4.360 0.031 25442 9801 1 20 . 1 1 51 51 SER CA C 51 58.361 58.361 58.753 -0.392 25442 9802 1 20 . 1 1 51 51 SER CB C 51 64.438 64.438 63.736 0.702 25442 9803 1 20 . 1 1 51 51 SER H H 51 8.950 8.950 8.409 0.541 25442 9804 1 20 . 1 1 52 52 GLN N N 52 122.996 122.996 118.690 4.306 25442 9805 1 20 . 1 1 52 52 GLN HA H 52 4.516 4.516 3.840 0.676 25442 9806 1 20 . 1 1 52 52 GLN CA C 52 55.406 55.406 57.084 -1.678 25442 9807 1 20 . 1 1 52 52 GLN CB C 52 29.624 29.624 27.872 1.752 25442 9808 1 20 . 1 1 52 52 GLN H H 52 8.929 8.929 8.129 0.800 25442 9809 1 20 . 1 1 53 53 GLY N N 53 106.139 106.139 103.919 2.220 25442 9810 1 20 . 1 1 53 53 GLY CA C 53 46.434 46.434 45.062 1.372 25442 9811 1 20 . 1 1 53 53 GLY H H 53 8.876 8.876 8.636 0.240 25442 9812 1 20 . 1 1 54 54 PHE N N 54 112.294 112.294 114.176 -1.882 25442 9813 1 20 . 1 1 54 54 PHE HA H 54 5.436 5.436 5.456 -0.020 25442 9814 1 20 . 1 1 54 54 PHE CA C 54 55.464 55.464 55.010 0.454 25442 9815 1 20 . 1 1 54 54 PHE CB C 54 41.207 41.207 40.938 0.269 25442 9816 1 20 . 1 1 54 54 PHE H H 54 6.938 6.938 6.774 0.164 25442 9817 1 20 . 1 1 55 55 ALA N N 55 121.935 121.935 119.830 2.105 25442 9818 1 20 . 1 1 55 55 ALA HA H 55 5.051 5.051 4.522 0.529 25442 9819 1 20 . 1 1 55 55 ALA CA C 55 49.517 49.517 51.300 -1.783 25442 9820 1 20 . 1 1 55 55 ALA CB C 55 24.966 24.966 22.369 2.597 25442 9821 1 20 . 1 1 55 55 ALA H H 55 9.098 9.098 8.322 0.776 25442 9822 1 20 . 1 1 56 56 TYR N N 56 114.799 114.799 118.199 -3.400 25442 9823 1 20 . 1 1 56 56 TYR HA H 56 5.652 5.652 5.227 0.425 25442 9824 1 20 . 1 1 56 56 TYR CA C 56 56.128 56.128 57.065 -0.937 25442 9825 1 20 . 1 1 56 56 TYR CB C 56 42.405 42.405 40.049 2.356 25442 9826 1 20 . 1 1 56 56 TYR H H 56 8.572 8.572 8.209 0.363 25442 9827 1 20 . 1 1 57 57 LEU N N 57 123.129 123.129 124.704 -1.575 25442 9828 1 20 . 1 1 57 57 LEU HA H 57 5.100 5.100 4.551 0.549 25442 9829 1 20 . 1 1 57 57 LEU CA C 57 54.552 54.552 54.624 -0.072 25442 9830 1 20 . 1 1 57 57 LEU H H 57 8.600 8.600 8.357 0.243 25442 9831 1 20 . 1 1 58 58 LYS N N 58 126.556 126.556 124.380 2.176 25442 9832 1 20 . 1 1 58 58 LYS HA H 58 4.553 4.553 4.495 0.058 25442 9833 1 20 . 1 1 58 58 LYS CA C 58 54.518 54.518 54.827 -0.309 25442 9834 1 20 . 1 1 58 58 LYS CB C 58 36.254 36.254 34.298 1.956 25442 9835 1 20 . 1 1 58 58 LYS H H 58 8.389 8.389 8.170 0.219 25442 9836 1 20 . 1 1 59 59 TYR N N 59 126.761 126.761 126.532 0.229 25442 9837 1 20 . 1 1 59 59 TYR HA H 59 5.061 5.061 4.641 0.420 25442 9838 1 20 . 1 1 59 59 TYR CA C 59 58.271 58.271 56.678 1.593 25442 9839 1 20 . 1 1 59 59 TYR H H 59 9.035 9.035 8.019 1.016 25442 9840 1 20 . 1 1 60 60 GLU N N 60 120.097 120.097 120.058 0.039 25442 9841 1 20 . 1 1 60 60 GLU HA H 60 3.890 3.890 4.077 -0.187 25442 9842 1 20 . 1 1 60 60 GLU CA C 60 59.244 59.244 58.553 0.691 25442 9843 1 20 . 1 1 60 60 GLU CB C 60 31.145 31.145 30.199 0.946 25442 9844 1 20 . 1 1 60 60 GLU H H 60 8.796 8.796 7.498 1.298 25442 9845 1 20 . 1 1 61 61 ASP N N 61 117.697 117.697 117.869 -0.172 25442 9846 1 20 . 1 1 61 61 ASP HA H 61 4.842 4.842 5.163 -0.321 25442 9847 1 20 . 1 1 61 61 ASP CA C 61 51.550 51.550 53.217 -1.667 25442 9848 1 20 . 1 1 61 61 ASP CB C 61 43.258 43.258 43.177 0.081 25442 9849 1 20 . 1 1 61 61 ASP H H 61 8.006 8.006 8.507 -0.501 25442 9850 1 20 . 1 1 62 62 GLN N N 62 126.321 126.321 124.358 1.963 25442 9851 1 20 . 1 1 62 62 GLN HA H 62 4.223 4.223 4.009 0.214 25442 9852 1 20 . 1 1 62 62 GLN CA C 62 58.637 58.637 59.223 -0.586 25442 9853 1 20 . 1 1 62 62 GLN CB C 62 27.994 27.994 28.618 -0.624 25442 9854 1 20 . 1 1 62 62 GLN H H 62 9.053 9.053 9.056 -0.003 25442 9855 1 20 . 1 1 63 63 ARG N N 63 121.086 121.086 118.213 2.873 25442 9856 1 20 . 1 1 63 63 ARG HA H 63 3.654 3.654 4.094 -0.440 25442 9857 1 20 . 1 1 63 63 ARG CA C 63 58.971 58.971 58.472 0.499 25442 9858 1 20 . 1 1 63 63 ARG H H 63 8.960 8.960 8.623 0.337 25442 9859 1 20 . 1 1 64 64 SER N N 64 114.891 114.891 112.388 2.503 25442 9860 1 20 . 1 1 64 64 SER HA H 64 3.704 3.704 4.286 -0.582 25442 9861 1 20 . 1 1 64 64 SER CA C 64 63.589 63.589 61.018 2.571 25442 9862 1 20 . 1 1 64 64 SER H H 64 8.143 8.143 8.032 0.111 25442 9863 1 20 . 1 1 65 65 THR N N 65 111.019 111.019 117.771 -6.752 25442 9864 1 20 . 1 1 65 65 THR HA H 65 3.765 3.765 4.001 -0.236 25442 9865 1 20 . 1 1 65 65 THR CA C 65 66.198 66.198 65.122 1.076 25442 9866 1 20 . 1 1 65 65 THR CB C 65 68.461 68.461 68.411 0.050 25442 9867 1 20 . 1 1 65 65 THR H H 65 7.633 7.633 7.440 0.193 25442 9868 1 20 . 1 1 66 66 ILE N N 66 123.242 123.242 122.751 0.491 25442 9869 1 20 . 1 1 66 66 ILE HA H 66 3.673 3.673 3.805 -0.132 25442 9870 1 20 . 1 1 66 66 ILE CA C 66 64.506 64.506 64.743 -0.237 25442 9871 1 20 . 1 1 66 66 ILE CB C 66 38.668 38.668 37.727 0.941 25442 9872 1 20 . 1 1 66 66 ILE H H 66 6.648 6.648 7.549 -0.901 25442 9873 1 20 . 1 1 67 67 LEU N N 67 113.375 113.375 119.312 -5.937 25442 9874 1 20 . 1 1 67 67 LEU HA H 67 3.627 3.627 3.929 -0.302 25442 9875 1 20 . 1 1 67 67 LEU CA C 67 57.678 57.678 57.990 -0.312 25442 9876 1 20 . 1 1 67 67 LEU CB C 67 41.866 41.866 41.869 -0.003 25442 9877 1 20 . 1 1 67 67 LEU H H 67 6.899 6.899 7.435 -0.536 25442 9878 1 20 . 1 1 68 68 ALA N N 68 120.327 120.327 120.730 -0.403 25442 9879 1 20 . 1 1 68 68 ALA HA H 68 3.406 3.406 3.455 -0.049 25442 9880 1 20 . 1 1 68 68 ALA CA C 68 55.643 55.643 54.682 0.961 25442 9881 1 20 . 1 1 68 68 ALA CB C 68 19.395 19.395 18.186 1.209 25442 9882 1 20 . 1 1 68 68 ALA H H 68 8.201 8.201 7.569 0.632 25442 9883 1 20 . 1 1 69 69 VAL N N 69 118.977 118.977 118.360 0.617 25442 9884 1 20 . 1 1 69 69 VAL HA H 69 3.221 3.221 3.566 -0.345 25442 9885 1 20 . 1 1 69 69 VAL CA C 69 67.039 67.039 67.105 -0.066 25442 9886 1 20 . 1 1 69 69 VAL CB C 69 31.896 31.896 31.511 0.385 25442 9887 1 20 . 1 1 69 69 VAL H H 69 8.235 8.235 8.533 -0.298 25442 9888 1 20 . 1 1 70 70 ASP N N 70 116.894 116.894 118.705 -1.811 25442 9889 1 20 . 1 1 70 70 ASP HA H 70 3.941 3.941 4.563 -0.622 25442 9890 1 20 . 1 1 70 70 ASP CA C 70 57.576 57.576 56.181 1.395 25442 9891 1 20 . 1 1 70 70 ASP CB C 70 39.037 39.037 40.408 -1.371 25442 9892 1 20 . 1 1 70 70 ASP H H 70 8.152 8.152 7.799 0.353 25442 9893 1 20 . 1 1 71 71 ASN N N 71 110.936 110.936 116.516 -5.580 25442 9894 1 20 . 1 1 71 71 ASN HA H 71 5.009 5.009 4.557 0.452 25442 9895 1 20 . 1 1 71 71 ASN CA C 71 55.710 55.710 53.725 1.985 25442 9896 1 20 . 1 1 71 71 ASN CB C 71 42.091 42.091 38.830 3.261 25442 9897 1 20 . 1 1 71 71 ASN H H 71 7.562 7.562 7.703 -0.141 25442 9898 1 20 . 1 1 72 72 LEU N N 72 116.460 116.460 117.351 -0.891 25442 9899 1 20 . 1 1 72 72 LEU HA H 72 4.686 4.686 4.446 0.240 25442 9900 1 20 . 1 1 72 72 LEU CA C 72 54.411 54.411 54.868 -0.457 25442 9901 1 20 . 1 1 72 72 LEU CB C 72 42.477 42.477 43.135 -0.658 25442 9902 1 20 . 1 1 72 72 LEU H H 72 8.406 8.406 7.965 0.441 25442 9903 1 20 . 1 1 73 73 ASN N N 73 118.618 118.618 119.247 -0.629 25442 9904 1 20 . 1 1 73 73 ASN HA H 73 4.419 4.419 4.507 -0.088 25442 9905 1 20 . 1 1 73 73 ASN CA C 73 56.716 56.716 55.049 1.667 25442 9906 1 20 . 1 1 73 73 ASN CB C 73 39.452 39.452 38.584 0.868 25442 9907 1 20 . 1 1 73 73 ASN H H 73 6.956 6.956 7.643 -0.687 25442 9908 1 20 . 1 1 74 74 GLY N N 74 116.095 116.095 114.295 1.800 25442 9909 1 20 . 1 1 74 74 GLY CA C 74 45.912 45.912 45.317 0.595 25442 9910 1 20 . 1 1 74 74 GLY H H 74 9.379 9.379 8.382 0.997 25442 9911 1 20 . 1 1 75 75 PHE N N 75 123.354 123.354 122.971 0.383 25442 9912 1 20 . 1 1 75 75 PHE HA H 75 4.311 4.311 4.627 -0.316 25442 9913 1 20 . 1 1 75 75 PHE CA C 75 58.979 58.979 55.729 3.250 25442 9914 1 20 . 1 1 75 75 PHE CB C 75 41.709 41.709 40.591 1.118 25442 9915 1 20 . 1 1 75 75 PHE H H 75 8.211 8.211 7.652 0.559 25442 9916 1 20 . 1 1 76 76 LYS N N 76 127.267 127.267 128.411 -1.144 25442 9917 1 20 . 1 1 76 76 LYS HA H 76 4.598 4.598 4.118 0.480 25442 9918 1 20 . 1 1 76 76 LYS CA C 76 56.529 56.529 56.400 0.129 25442 9919 1 20 . 1 1 76 76 LYS CB C 76 33.073 33.073 32.904 0.169 25442 9920 1 20 . 1 1 76 76 LYS H H 76 7.648 7.648 8.391 -0.743 25442 9921 1 20 . 1 1 77 77 ILE N N 77 121.576 121.576 126.355 -4.779 25442 9922 1 20 . 1 1 77 77 ILE HA H 77 4.406 4.406 4.005 0.401 25442 9923 1 20 . 1 1 77 77 ILE CA C 77 60.214 60.214 60.821 -0.607 25442 9924 1 20 . 1 1 77 77 ILE CB C 77 40.048 40.048 40.581 -0.533 25442 9925 1 20 . 1 1 77 77 ILE H H 77 8.100 8.100 8.835 -0.735 25442 9926 1 20 . 1 1 78 78 GLY CA C 78 47.118 47.118 45.468 1.651 25442 9927 1 20 . 1 1 79 79 GLY CA C 79 45.171 45.171 44.886 0.285 25442 9928 1 20 . 1 1 80 80 ARG N N 80 119.377 119.377 119.614 -0.237 25442 9929 1 20 . 1 1 80 80 ARG HA H 80 4.650 4.650 4.572 0.078 25442 9930 1 20 . 1 1 80 80 ARG CA C 80 54.849 54.849 54.160 0.689 25442 9931 1 20 . 1 1 80 80 ARG CB C 80 33.411 33.411 34.075 -0.664 25442 9932 1 20 . 1 1 80 80 ARG H H 80 7.379 7.379 7.635 -0.256 25442 9933 1 20 . 1 1 81 81 ALA N N 81 126.782 126.782 124.257 2.525 25442 9934 1 20 . 1 1 81 81 ALA HA H 81 4.137 4.137 5.031 -0.894 25442 9935 1 20 . 1 1 81 81 ALA CA C 81 51.454 51.454 50.915 0.539 25442 9936 1 20 . 1 1 81 81 ALA CB C 81 19.131 19.131 20.333 -1.202 25442 9937 1 20 . 1 1 81 81 ALA H H 81 8.734 8.734 8.363 0.371 25442 9938 1 20 . 1 1 82 82 LEU N N 82 125.769 125.769 118.163 7.606 25442 9939 1 20 . 1 1 82 82 LEU HA H 82 4.390 4.390 4.991 -0.601 25442 9940 1 20 . 1 1 82 82 LEU CA C 82 56.196 56.196 54.211 1.985 25442 9941 1 20 . 1 1 82 82 LEU CB C 82 43.362 43.362 43.437 -0.075 25442 9942 1 20 . 1 1 82 82 LEU H H 82 8.736 8.736 7.825 0.911 25442 9943 1 20 . 1 1 83 83 LYS N N 83 123.851 123.851 119.898 3.953 25442 9944 1 20 . 1 1 83 83 LYS HA H 83 5.005 5.005 4.773 0.232 25442 9945 1 20 . 1 1 83 83 LYS CA C 83 54.790 54.790 54.796 -0.006 25442 9946 1 20 . 1 1 83 83 LYS CB C 83 34.212 34.212 35.250 -1.038 25442 9947 1 20 . 1 1 83 83 LYS H H 83 7.838 7.838 8.109 -0.271 25442 9948 1 20 . 1 1 84 84 ILE N N 84 125.629 125.629 126.736 -1.107 25442 9949 1 20 . 1 1 84 84 ILE HA H 84 5.576 5.576 4.886 0.690 25442 9950 1 20 . 1 1 84 84 ILE CA C 84 58.513 58.513 60.136 -1.623 25442 9951 1 20 . 1 1 84 84 ILE CB C 84 40.310 40.310 40.148 0.162 25442 9952 1 20 . 1 1 84 84 ILE H H 84 8.727 8.727 8.519 0.208 25442 9953 1 20 . 1 1 85 85 ASP N N 85 124.427 124.427 126.350 -1.923 25442 9954 1 20 . 1 1 85 85 ASP HA H 85 5.094 5.094 4.925 0.169 25442 9955 1 20 . 1 1 85 85 ASP CA C 85 52.697 52.697 52.094 0.603 25442 9956 1 20 . 1 1 85 85 ASP CB C 85 45.574 45.574 44.261 1.313 25442 9957 1 20 . 1 1 85 85 ASP H H 85 8.960 8.960 8.479 0.481 25442 9958 1 20 . 1 1 86 86 HIS N N 86 121.356 121.356 123.664 -2.308 25442 9959 1 20 . 1 1 86 86 HIS HA H 86 4.635 4.635 4.616 0.019 25442 9960 1 20 . 1 1 86 86 HIS CA C 86 58.158 58.158 57.276 0.882 25442 9961 1 20 . 1 1 86 86 HIS CB C 86 31.368 31.368 30.741 0.627 25442 9962 1 20 . 1 1 86 86 HIS H H 86 8.783 8.783 8.894 -0.111 25442 9963 1 20 . 1 1 87 87 THR N N 87 114.331 114.331 118.651 -4.320 25442 9964 1 20 . 1 1 87 87 THR HA H 87 4.691 4.691 4.543 0.148 25442 9965 1 20 . 1 1 87 87 THR CA C 87 60.890 60.890 62.218 -1.328 25442 9966 1 20 . 1 1 87 87 THR CB C 87 70.215 70.215 70.860 -0.645 25442 9967 1 20 . 1 1 87 87 THR H H 87 8.032 8.032 8.221 -0.189 25442 9968 1 20 . 1 1 88 88 PHE N N 88 118.673 118.673 118.808 -0.135 25442 9969 1 20 . 1 1 88 88 PHE HA H 88 4.305 4.305 4.311 -0.006 25442 9970 1 20 . 1 1 88 88 PHE CA C 88 58.926 58.926 59.488 -0.562 25442 9971 1 20 . 1 1 88 88 PHE CB C 88 39.673 39.673 36.462 3.211 25442 9972 1 20 . 1 1 88 88 PHE H H 88 8.233 8.233 7.542 0.691 25442 9973 1 20 . 1 1 89 89 TYR N N 89 124.182 124.182 118.437 5.745 25442 9974 1 20 . 1 1 89 89 TYR HA H 89 4.193 4.193 4.310 -0.117 25442 9975 1 20 . 1 1 89 89 TYR CA C 89 58.510 58.510 57.742 0.767 25442 9976 1 20 . 1 1 89 89 TYR CB C 89 39.993 39.993 38.700 1.293 25442 9977 1 20 . 1 1 89 89 TYR H H 89 8.246 8.246 7.882 0.364 25442 9978 1 20 . 1 1 90 90 ARG N N 90 125.111 125.111 127.661 -2.550 25442 9979 1 20 . 1 1 90 90 ARG HA H 90 4.219 4.219 3.879 0.340 25442 9980 1 20 . 1 1 90 90 ARG CA C 90 52.511 52.511 52.672 -0.161 25442 9981 1 20 . 1 1 90 90 ARG CB C 90 31.298 31.298 29.387 1.911 25442 9982 1 20 . 1 1 90 90 ARG H H 90 7.223 7.223 8.082 -0.859 25442 9983 1 20 . 1 1 91 91 PRO HA H 91 4.028 4.028 3.896 0.132 25442 9984 1 20 . 1 1 91 91 PRO CA C 91 62.759 62.759 62.859 -0.100 25442 9985 1 20 . 1 1 91 91 PRO CB C 91 32.074 32.074 32.045 0.029 25442 9986 1 20 . 1 1 94 94 SER HA H 94 4.466 4.466 4.758 -0.292 25442 9987 1 20 . 1 1 94 94 SER CA C 94 58.273 58.273 57.492 0.781 25442 9988 1 20 . 1 1 94 94 SER CB C 94 63.656 63.656 65.437 -1.781 25442 9989 1 20 . 1 1 95 95 LEU HA H 95 4.369 4.369 4.642 -0.273 25442 9990 1 20 . 1 1 95 95 LEU CA C 95 55.482 55.482 54.707 0.775 25442 9991 1 20 . 1 1 95 95 LEU CB C 95 42.350 42.350 42.543 -0.193 25442 9992 1 20 . 1 1 97 97 LYS HA H 97 4.197 4.197 4.013 0.184 25442 9993 1 20 . 1 1 97 97 LYS CA C 97 56.923 56.923 56.831 0.092 25442 9994 1 20 . 1 1 97 97 LYS CB C 97 32.936 32.936 30.495 2.441 25442 9995 1 20 . 1 1 98 98 TYR N N 98 120.486 120.486 118.999 1.487 25442 9996 1 20 . 1 1 98 98 TYR HA H 98 4.477 4.477 4.159 0.318 25442 9997 1 20 . 1 1 98 98 TYR CA C 98 58.249 58.249 60.322 -2.073 25442 9998 1 20 . 1 1 98 98 TYR CB C 98 38.659 38.659 38.829 -0.170 25442 9999 1 20 . 1 1 98 98 TYR H H 98 7.979 7.979 7.888 0.091 25442 10000 1 20 . 1 1 99 99 TYR N N 99 120.784 120.784 119.768 1.016 25442 10001 1 20 . 1 1 99 99 TYR HA H 99 4.455 4.455 4.385 0.070 25442 10002 1 20 . 1 1 99 99 TYR CA C 99 58.281 58.281 59.580 -1.299 25442 10003 1 20 . 1 1 99 99 TYR CB C 99 38.902 38.902 36.604 2.298 25442 10004 1 20 . 1 1 99 99 TYR H H 99 7.918 7.918 8.274 -0.356 25442 10005 1 20 . 1 1 100 100 GLU N N 100 122.033 122.033 122.046 -0.013 25442 10006 1 20 . 1 1 100 100 GLU HA H 100 4.171 4.171 4.307 -0.136 25442 10007 1 20 . 1 1 100 100 GLU CA C 100 56.766 56.766 57.255 -0.490 25442 10008 1 20 . 1 1 100 100 GLU H H 100 8.055 8.055 8.754 -0.699 25442 10009 1 20 . 1 1 101 101 ALA N N 101 124.629 124.629 123.831 0.798 25442 10010 1 20 . 1 1 101 101 ALA HA H 101 4.283 4.283 3.924 0.359 25442 10011 1 20 . 1 1 101 101 ALA CA C 101 52.795 52.795 54.886 -2.091 25442 10012 1 20 . 1 1 101 101 ALA CB C 101 19.150 19.150 18.207 0.943 25442 10013 1 20 . 1 1 101 101 ALA H H 101 8.040 8.040 7.448 0.592 25442 10014 1 20 . 1 1 102 102 VAL N N 102 119.031 119.031 117.453 1.578 25442 10015 1 20 . 1 1 102 102 VAL HA H 102 4.039 4.039 3.999 0.040 25442 10016 1 20 . 1 1 102 102 VAL CA C 102 62.675 62.675 64.948 -2.272 25442 10017 1 20 . 1 1 102 102 VAL CB C 102 32.610 32.610 31.506 1.104 25442 10018 1 20 . 1 1 102 102 VAL H H 102 7.960 7.960 7.714 0.246 25442 10019 1 20 . 1 1 103 103 LYS N N 103 124.562 124.562 116.553 8.009 25442 10020 1 20 . 1 1 103 103 LYS HA H 103 4.258 4.258 4.368 -0.110 25442 10021 1 20 . 1 1 103 103 LYS CA C 103 56.797 56.797 57.521 -0.724 25442 10022 1 20 . 1 1 103 103 LYS CB C 103 33.012 33.012 33.245 -0.233 25442 10023 1 20 . 1 1 103 103 LYS H H 103 8.207 8.207 7.520 0.687 25442 10024 1 20 . 1 1 104 104 GLU N N 104 121.722 121.722 119.721 2.001 25442 10025 1 20 . 1 1 104 104 GLU HA H 104 4.263 4.263 4.476 -0.213 25442 10026 1 20 . 1 1 104 104 GLU CA C 104 57.034 57.034 55.843 1.191 25442 10027 1 20 . 1 1 104 104 GLU CB C 104 30.351 30.351 30.498 -0.147 25442 10028 1 20 . 1 1 104 104 GLU H H 104 8.325 8.325 7.787 0.538 25442 10029 1 20 . 1 1 105 105 GLU N N 105 121.479 121.479 120.192 1.287 25442 10030 1 20 . 1 1 105 105 GLU HA H 105 4.264 4.264 4.055 0.209 25442 10031 1 20 . 1 1 105 105 GLU CA C 105 56.802 56.802 57.174 -0.372 25442 10032 1 20 . 1 1 105 105 GLU CB C 105 30.351 30.351 29.586 0.765 25442 10033 1 20 . 1 1 105 105 GLU H H 105 8.288 8.288 7.972 0.316 25442 10034 1 20 . 1 1 106 106 LEU N N 106 122.549 122.549 122.169 0.380 25442 10035 1 20 . 1 1 106 106 LEU HA H 106 4.316 4.316 4.023 0.293 25442 10036 1 20 . 1 1 106 106 LEU CA C 106 55.545 55.545 55.628 -0.083 25442 10037 1 20 . 1 1 106 106 LEU CB C 106 42.538 42.538 41.534 1.004 25442 10038 1 20 . 1 1 106 106 LEU H H 106 8.154 8.154 8.531 -0.377 25442 10039 1 20 . 1 1 107 107 ASP N N 107 120.656 120.656 117.939 2.717 25442 10040 1 20 . 1 1 107 107 ASP HA H 107 4.587 4.587 4.823 -0.236 25442 10041 1 20 . 1 1 107 107 ASP CA C 107 54.715 54.715 54.349 0.367 25442 10042 1 20 . 1 1 107 107 ASP CB C 107 41.125 41.125 42.235 -1.110 25442 10043 1 20 . 1 1 107 107 ASP H H 107 8.273 8.273 7.836 0.437 25442 10044 1 20 . 1 1 108 108 ARG N N 108 120.710 120.710 124.450 -3.740 25442 10045 1 20 . 1 1 108 108 ARG HA H 108 4.272 4.272 4.400 -0.128 25442 10046 1 20 . 1 1 108 108 ARG CA C 108 56.778 56.778 57.014 -0.236 25442 10047 1 20 . 1 1 108 108 ARG CB C 108 30.835 30.835 31.411 -0.576 25442 10048 1 20 . 1 1 108 108 ARG H H 108 8.041 8.041 8.174 -0.133 25442 10049 1 20 . 1 1 109 109 ASP N N 109 120.647 120.647 118.839 1.808 25442 10050 1 20 . 1 1 109 109 ASP CA C 109 54.862 54.862 54.394 0.468 25442 10051 1 20 . 1 1 109 109 ASP H H 109 8.331 8.331 7.992 0.339 25442 10052 1 20 . 1 1 110 110 ILE N N 110 120.220 120.220 121.867 -1.647 25442 10053 1 20 . 1 1 110 110 ILE HA H 110 4.140 4.140 4.108 0.032 25442 10054 1 20 . 1 1 110 110 ILE CA C 110 61.760 61.760 62.082 -0.322 25442 10055 1 20 . 1 1 110 110 ILE CB C 110 38.643 38.643 38.460 0.183 25442 10056 1 20 . 1 1 110 110 ILE H H 110 7.910 7.910 7.749 0.161 25442 10057 1 20 . 1 1 111 111 VAL N N 111 122.698 122.698 122.523 0.175 25442 10058 1 20 . 1 1 111 111 VAL HA H 111 4.095 4.095 4.109 -0.014 25442 10059 1 20 . 1 1 111 111 VAL CA C 111 62.982 62.982 64.074 -1.092 25442 10060 1 20 . 1 1 111 111 VAL CB C 111 32.438 32.438 31.735 0.703 25442 10061 1 20 . 1 1 111 111 VAL H H 111 8.018 8.018 8.018 0.000 25442 10062 1 20 . 1 1 112 112 SER HA H 112 4.439 4.439 4.433 0.006 25442 10063 1 20 . 1 1 112 112 SER CA C 112 58.581 58.581 58.418 0.163 25442 10064 1 20 . 1 1 112 112 SER CB C 112 63.717 63.717 64.134 -0.417 25442 10065 1 20 . 1 1 114 114 ASN HA H 114 4.690 4.690 4.702 -0.012 25442 10066 1 20 . 1 1 114 114 ASN CA C 114 53.462 53.462 53.544 -0.082 25442 10067 1 20 . 1 1 114 114 ASN CB C 114 39.073 39.073 37.415 1.658 25442 10068 1 20 . 1 1 115 115 ASN HA H 115 4.690 4.690 4.544 0.146 25442 10069 1 20 . 1 1 115 115 ASN CA C 115 53.476 53.476 55.115 -1.639 25442 10070 1 20 . 1 1 115 115 ASN CB C 115 39.073 39.073 38.746 0.327 25442 10071 1 20 . 1 1 116 116 ALA N N 116 123.691 123.691 122.620 1.071 25442 10072 1 20 . 1 1 116 116 ALA HA H 116 4.355 4.355 4.438 -0.083 25442 10073 1 20 . 1 1 116 116 ALA CA C 116 52.748 52.748 51.699 1.049 25442 10074 1 20 . 1 1 116 116 ALA CB C 116 19.559 19.559 17.986 1.573 25442 10075 1 20 . 1 1 116 116 ALA H H 116 8.144 8.144 7.908 0.236 25442 10076 1 20 . 1 1 117 117 GLU N N 117 120.174 120.174 123.842 -3.668 25442 10077 1 20 . 1 1 117 117 GLU HA H 117 4.284 4.284 4.348 -0.064 25442 10078 1 20 . 1 1 117 117 GLU CA C 117 56.731 56.731 56.077 0.654 25442 10079 1 20 . 1 1 117 117 GLU CB C 117 29.944 29.944 30.389 -0.445 25442 10080 1 20 . 1 1 117 117 GLU H H 117 8.234 8.234 8.245 -0.011 25442 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 100 3.071 0.009 3.087 25442 2 1 1 "Average Difference" HA 117 0.387 -0.059 0.384 25442 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25442 4 1 1 "Average Difference" CA 111 1.000 -0.122 0.997 25442 5 1 1 "Average Difference" CB 92 1.209 -0.587 1.063 25442 6 1 1 "Average Difference" HN 100 0.591 -0.088 0.588 25442 7 1 2 "Average Difference" N 100 3.252 -0.092 3.267 25442 8 1 2 "Average Difference" HA 117 0.413 -0.011 0.414 25442 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25442 10 1 2 "Average Difference" CA 111 1.168 -0.139 1.165 25442 11 1 2 "Average Difference" CB 92 1.184 -0.534 1.062 25442 12 1 2 "Average Difference" HN 100 0.614 -0.110 0.608 25442 13 1 3 "Average Difference" N 100 3.401 -0.425 3.392 25442 14 1 3 "Average Difference" HA 117 0.408 -0.046 0.407 25442 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25442 16 1 3 "Average Difference" CA 111 1.229 -0.036 1.234 25442 17 1 3 "Average Difference" CB 92 1.150 -0.534 1.024 25442 18 1 3 "Average Difference" HN 100 0.557 -0.147 0.540 25442 19 1 4 "Average Difference" N 100 3.293 -0.171 3.305 25442 20 1 4 "Average Difference" HA 117 0.399 -0.046 0.398 25442 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25442 22 1 4 "Average Difference" CA 111 1.152 -0.169 1.144 25442 23 1 4 "Average Difference" CB 92 1.195 -0.637 1.016 25442 24 1 4 "Average Difference" HN 100 0.591 -0.092 0.587 25442 25 1 5 "Average Difference" N 100 3.124 0.337 3.122 25442 26 1 5 "Average Difference" HA 117 0.405 -0.040 0.405 25442 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25442 28 1 5 "Average Difference" CA 111 1.126 -0.043 1.130 25442 29 1 5 "Average Difference" CB 92 1.263 -0.617 1.108 25442 30 1 5 "Average Difference" HN 100 0.529 -0.131 0.515 25442 31 1 6 "Average Difference" N 100 3.626 -0.080 3.644 25442 32 1 6 "Average Difference" HA 117 0.400 -0.049 0.399 25442 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25442 34 1 6 "Average Difference" CA 111 1.145 -0.163 1.138 25442 35 1 6 "Average Difference" CB 92 1.321 -0.710 1.121 25442 36 1 6 "Average Difference" HN 100 0.566 -0.142 0.551 25442 37 1 7 "Average Difference" N 100 3.204 0.573 3.168 25442 38 1 7 "Average Difference" HA 117 0.380 -0.032 0.380 25442 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25442 40 1 7 "Average Difference" CA 111 1.052 -0.275 1.020 25442 41 1 7 "Average Difference" CB 92 1.150 -0.413 1.079 25442 42 1 7 "Average Difference" HN 100 0.622 -0.110 0.616 25442 43 1 8 "Average Difference" N 100 3.103 0.148 3.115 25442 44 1 8 "Average Difference" HA 117 0.392 0.001 0.394 25442 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25442 46 1 8 "Average Difference" CA 111 1.045 -0.245 1.020 25442 47 1 8 "Average Difference" CB 92 1.181 -0.425 1.108 25442 48 1 8 "Average Difference" HN 100 0.579 -0.114 0.571 25442 49 1 9 "Average Difference" N 100 3.231 -0.162 3.243 25442 50 1 9 "Average Difference" HA 117 0.398 -0.020 0.399 25442 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25442 52 1 9 "Average Difference" CA 111 1.041 -0.188 1.029 25442 53 1 9 "Average Difference" CB 92 1.225 -0.500 1.124 25442 54 1 9 "Average Difference" HN 100 0.553 -0.095 0.548 25442 55 1 10 "Average Difference" N 100 3.103 0.288 3.106 25442 56 1 10 "Average Difference" HA 117 0.414 -0.022 0.415 25442 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25442 58 1 10 "Average Difference" CA 111 1.254 -0.123 1.253 25442 59 1 10 "Average Difference" CB 92 1.173 -0.455 1.088 25442 60 1 10 "Average Difference" HN 100 0.592 -0.091 0.588 25442 61 1 11 "Average Difference" N 100 3.271 -0.323 3.272 25442 62 1 11 "Average Difference" HA 117 0.388 -0.036 0.388 25442 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25442 64 1 11 "Average Difference" CA 111 1.112 -0.132 1.109 25442 65 1 11 "Average Difference" CB 92 1.228 -0.592 1.082 25442 66 1 11 "Average Difference" HN 100 0.574 -0.079 0.572 25442 67 1 12 "Average Difference" N 100 3.036 0.176 3.046 25442 68 1 12 "Average Difference" HA 117 0.399 0.001 0.400 25442 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25442 70 1 12 "Average Difference" CA 111 1.087 -0.262 1.060 25442 71 1 12 "Average Difference" CB 92 1.194 -0.398 1.132 25442 72 1 12 "Average Difference" HN 100 0.554 -0.065 0.553 25442 73 1 13 "Average Difference" N 100 3.163 -0.063 3.179 25442 74 1 13 "Average Difference" HA 117 0.404 -0.036 0.404 25442 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25442 76 1 13 "Average Difference" CA 111 1.133 -0.233 1.114 25442 77 1 13 "Average Difference" CB 92 1.147 -0.419 1.073 25442 78 1 13 "Average Difference" HN 100 0.588 -0.139 0.574 25442 79 1 14 "Average Difference" N 100 2.978 -0.406 2.965 25442 80 1 14 "Average Difference" HA 117 0.401 -0.015 0.403 25442 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25442 82 1 14 "Average Difference" CA 111 1.130 -0.163 1.123 25442 83 1 14 "Average Difference" CB 92 1.256 -0.534 1.143 25442 84 1 14 "Average Difference" HN 100 0.605 -0.182 0.580 25442 85 1 15 "Average Difference" N 100 2.997 0.248 3.002 25442 86 1 15 "Average Difference" HA 117 0.420 -0.011 0.422 25442 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25442 88 1 15 "Average Difference" CA 111 1.028 -0.219 1.009 25442 89 1 15 "Average Difference" CB 92 1.244 -0.444 1.168 25442 90 1 15 "Average Difference" HN 100 0.591 -0.089 0.587 25442 91 1 16 "Average Difference" N 100 3.071 0.213 3.079 25442 92 1 16 "Average Difference" HA 117 0.414 -0.031 0.415 25442 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 25442 94 1 16 "Average Difference" CA 111 1.318 -0.133 1.318 25442 95 1 16 "Average Difference" CB 92 1.139 -0.564 0.995 25442 96 1 16 "Average Difference" HN 100 0.535 -0.150 0.517 25442 97 1 17 "Average Difference" N 100 2.964 0.256 2.968 25442 98 1 17 "Average Difference" HA 117 0.394 -0.041 0.393 25442 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 25442 100 1 17 "Average Difference" CA 111 1.089 -0.087 1.090 25442 101 1 17 "Average Difference" CB 92 1.186 -0.488 1.087 25442 102 1 17 "Average Difference" HN 100 0.537 -0.054 0.537 25442 103 1 18 "Average Difference" N 100 3.091 0.310 3.091 25442 104 1 18 "Average Difference" HA 117 0.367 -0.023 0.368 25442 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 25442 106 1 18 "Average Difference" CA 111 1.147 -0.235 1.128 25442 107 1 18 "Average Difference" CB 92 1.107 -0.414 1.032 25442 108 1 18 "Average Difference" HN 100 0.582 -0.116 0.574 25442 109 1 19 "Average Difference" N 100 3.151 0.041 3.167 25442 110 1 19 "Average Difference" HA 117 0.414 -0.015 0.415 25442 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 25442 112 1 19 "Average Difference" CA 111 1.200 0.020 1.205 25442 113 1 19 "Average Difference" CB 92 1.152 -0.459 1.063 25442 114 1 19 "Average Difference" HN 100 0.584 -0.132 0.571 25442 115 1 20 "Average Difference" N 100 3.090 0.097 3.104 25442 116 1 20 "Average Difference" HA 117 0.390 0.007 0.392 25442 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 25442 118 1 20 "Average Difference" CA 111 1.056 -0.189 1.044 25442 119 1 20 "Average Difference" CB 92 1.248 -0.462 1.166 25442 120 1 20 "Average Difference" HN 100 0.583 -0.165 0.562 25442 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 25442 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 ALA HA H 2 4.335 4.335 4.387 -0.052 25442 2 1 . 1 1 2 2 ALA CA C 2 53.634 53.634 52.517 1.117 25442 3 1 . 1 1 2 2 ALA CB C 2 19.441 19.441 19.124 0.317 25442 4 1 . 1 1 3 3 MET N N 3 120.791 120.791 120.135 0.656 25442 5 1 . 1 1 3 3 MET HA H 3 4.499 4.499 4.416 0.083 25442 6 1 . 1 1 3 3 MET CA C 3 55.772 55.772 55.545 0.227 25442 7 1 . 1 1 3 3 MET CB C 3 32.968 32.968 32.346 0.622 25442 8 1 . 1 1 3 3 MET H H 3 8.636 8.636 8.288 0.348 25442 9 1 . 1 1 4 4 GLY N N 4 109.879 109.879 109.978 -0.099 25442 10 1 . 1 1 4 4 GLY CA C 4 45.531 45.531 45.207 0.324 25442 11 1 . 1 1 4 4 GLY H H 4 8.391 8.391 8.429 -0.038 25442 12 1 . 1 1 5 5 ASN N N 5 124.309 124.309 118.607 5.702 25442 13 1 . 1 1 5 5 ASN HA H 5 4.661 4.661 4.615 0.046 25442 14 1 . 1 1 5 5 ASN CA C 5 53.419 53.419 53.353 0.066 25442 15 1 . 1 1 5 5 ASN CB C 5 39.059 39.059 38.613 0.446 25442 16 1 . 1 1 5 5 ASN H H 5 7.954 7.954 8.434 -0.480 25442 17 1 . 1 1 7 7 TYR N N 7 120.088 120.088 118.840 1.248 25442 18 1 . 1 1 7 7 TYR HA H 7 4.463 4.463 4.485 -0.022 25442 19 1 . 1 1 7 7 TYR CA C 7 58.098 58.098 58.285 -0.187 25442 20 1 . 1 1 7 7 TYR CB C 7 38.252 38.252 38.952 -0.700 25442 21 1 . 1 1 7 7 TYR H H 7 8.013 8.013 8.064 -0.051 25442 22 1 . 1 1 8 8 LYS N N 8 121.766 121.766 121.255 0.511 25442 23 1 . 1 1 8 8 LYS HA H 8 4.174 4.174 4.255 -0.081 25442 24 1 . 1 1 8 8 LYS CA C 8 56.835 56.835 56.505 0.330 25442 25 1 . 1 1 8 8 LYS CB C 8 32.997 32.997 32.750 0.247 25442 26 1 . 1 1 8 8 LYS H H 8 7.845 7.845 8.030 -0.185 25442 27 1 . 1 1 9 9 ASP N N 9 119.739 119.739 120.065 -0.326 25442 28 1 . 1 1 9 9 ASP HA H 9 4.477 4.477 4.606 -0.129 25442 29 1 . 1 1 9 9 ASP CA C 9 54.660 54.660 54.267 0.393 25442 30 1 . 1 1 9 9 ASP CB C 9 41.100 41.100 40.922 0.178 25442 31 1 . 1 1 9 9 ASP H H 9 8.043 8.043 8.422 -0.379 25442 32 1 . 1 1 10 10 ASN N N 10 119.260 119.260 119.291 -0.031 25442 33 1 . 1 1 10 10 ASN HA H 10 4.875 4.875 4.707 0.168 25442 34 1 . 1 1 10 10 ASN CA C 10 53.255 53.255 52.796 0.459 25442 35 1 . 1 1 10 10 ASN CB C 10 39.105 39.105 38.599 0.506 25442 36 1 . 1 1 10 10 ASN H H 10 8.174 8.174 8.246 -0.072 25442 37 1 . 1 1 11 11 ALA N N 11 122.869 122.869 123.652 -0.783 25442 38 1 . 1 1 11 11 ALA HA H 11 4.544 4.544 4.438 0.106 25442 39 1 . 1 1 11 11 ALA CA C 11 52.866 52.866 51.922 0.944 25442 40 1 . 1 1 11 11 ALA H H 11 8.299 8.299 7.911 0.388 25442 41 1 . 1 1 12 12 TYR N N 12 117.351 117.351 119.988 -2.637 25442 42 1 . 1 1 12 12 TYR HA H 12 5.220 5.220 5.382 -0.162 25442 43 1 . 1 1 12 12 TYR CA C 12 57.621 57.621 56.588 1.033 25442 44 1 . 1 1 12 12 TYR CB C 12 41.631 41.631 42.728 -1.097 25442 45 1 . 1 1 12 12 TYR H H 12 8.340 8.340 8.202 0.138 25442 46 1 . 1 1 13 13 ILE N N 13 112.184 112.184 119.030 -6.846 25442 47 1 . 1 1 13 13 ILE HA H 13 5.052 5.052 4.769 0.283 25442 48 1 . 1 1 13 13 ILE CA C 13 59.995 59.995 60.083 -0.088 25442 49 1 . 1 1 13 13 ILE CB C 13 40.418 40.418 40.271 0.147 25442 50 1 . 1 1 13 13 ILE H H 13 9.216 9.216 8.612 0.604 25442 51 1 . 1 1 14 14 TYR N N 14 123.504 123.504 128.297 -4.793 25442 52 1 . 1 1 14 14 TYR HA H 14 4.690 4.690 4.842 -0.152 25442 53 1 . 1 1 14 14 TYR CA C 14 56.688 56.688 57.548 -0.860 25442 54 1 . 1 1 14 14 TYR CB C 14 40.564 40.564 39.862 0.702 25442 55 1 . 1 1 14 14 TYR H H 14 9.086 9.086 9.279 -0.193 25442 56 1 . 1 1 15 15 ILE N N 15 127.611 127.611 128.509 -0.898 25442 57 1 . 1 1 15 15 ILE HA H 15 4.288 4.288 4.771 -0.483 25442 58 1 . 1 1 15 15 ILE CA C 15 59.654 59.654 59.902 -0.247 25442 59 1 . 1 1 15 15 ILE CB C 15 40.260 40.260 39.299 0.961 25442 60 1 . 1 1 15 15 ILE H H 15 8.448 8.448 7.671 0.777 25442 61 1 . 1 1 16 16 GLY N N 16 112.660 112.660 111.913 0.747 25442 62 1 . 1 1 16 16 GLY CA C 16 43.240 43.240 43.328 -0.088 25442 63 1 . 1 1 16 16 GLY H H 16 9.438 9.438 8.289 1.149 25442 64 1 . 1 1 17 17 ASN N N 17 114.980 114.980 115.789 -0.809 25442 65 1 . 1 1 17 17 ASN HA H 17 4.439 4.439 4.365 0.074 25442 66 1 . 1 1 17 17 ASN CA C 17 53.251 53.251 54.037 -0.786 25442 67 1 . 1 1 17 17 ASN CB C 17 38.259 38.259 37.545 0.714 25442 68 1 . 1 1 17 17 ASN H H 17 8.497 8.497 8.624 -0.127 25442 69 1 . 1 1 18 18 LEU N N 18 115.182 115.182 115.632 -0.450 25442 70 1 . 1 1 18 18 LEU HA H 18 4.068 4.068 4.646 -0.578 25442 71 1 . 1 1 18 18 LEU CA C 18 54.073 54.073 53.943 0.130 25442 72 1 . 1 1 18 18 LEU CB C 18 42.912 42.912 43.321 -0.409 25442 73 1 . 1 1 18 18 LEU H H 18 7.859 7.859 7.484 0.375 25442 74 1 . 1 1 19 19 ASN N N 19 122.392 122.392 119.800 2.592 25442 75 1 . 1 1 19 19 ASN HA H 19 4.464 4.464 4.721 -0.257 25442 76 1 . 1 1 19 19 ASN CA C 19 54.087 54.087 52.924 1.163 25442 77 1 . 1 1 19 19 ASN CB C 19 38.703 38.703 39.612 -0.909 25442 78 1 . 1 1 19 19 ASN H H 19 8.727 8.727 8.655 0.071 25442 79 1 . 1 1 20 20 ARG N N 20 126.283 126.283 124.468 1.815 25442 80 1 . 1 1 20 20 ARG HA H 20 3.937 3.937 4.018 -0.081 25442 81 1 . 1 1 20 20 ARG CA C 20 58.719 58.719 58.499 0.220 25442 82 1 . 1 1 20 20 ARG CB C 20 29.719 29.719 29.887 -0.168 25442 83 1 . 1 1 20 20 ARG H H 20 8.940 8.940 8.695 0.245 25442 84 1 . 1 1 21 21 GLU N N 21 117.166 117.166 118.039 -0.873 25442 85 1 . 1 1 21 21 GLU HA H 21 4.321 4.321 4.148 0.173 25442 86 1 . 1 1 21 21 GLU CA C 21 56.778 56.778 57.235 -0.457 25442 87 1 . 1 1 21 21 GLU H H 21 8.867 8.867 8.130 0.737 25442 88 1 . 1 1 22 22 LEU N N 22 119.643 119.643 120.903 -1.260 25442 89 1 . 1 1 22 22 LEU HA H 22 4.540 4.540 4.327 0.213 25442 90 1 . 1 1 22 22 LEU CA C 22 55.505 55.505 55.263 0.242 25442 91 1 . 1 1 22 22 LEU CB C 22 42.251 42.251 41.941 0.311 25442 92 1 . 1 1 22 22 LEU H H 22 7.324 7.324 7.513 -0.189 25442 93 1 . 1 1 23 23 THR N N 23 114.564 114.564 116.401 -1.837 25442 94 1 . 1 1 23 23 THR HA H 23 4.483 4.483 4.543 -0.060 25442 95 1 . 1 1 23 23 THR CA C 23 60.155 60.155 59.878 0.277 25442 96 1 . 1 1 23 23 THR CB C 23 73.000 73.000 71.080 1.920 25442 97 1 . 1 1 23 23 THR H H 23 9.483 9.483 8.072 1.411 25442 98 1 . 1 1 24 24 GLU N N 24 120.458 120.458 120.749 -0.291 25442 99 1 . 1 1 24 24 GLU HA H 24 3.604 3.604 4.025 -0.421 25442 100 1 . 1 1 24 24 GLU CA C 24 62.158 62.158 60.189 1.969 25442 101 1 . 1 1 24 24 GLU H H 24 10.410 10.410 8.891 1.519 25442 102 1 . 1 1 25 25 GLY N N 25 105.261 105.261 107.298 -2.037 25442 103 1 . 1 1 25 25 GLY CA C 25 47.219 47.219 47.004 0.215 25442 104 1 . 1 1 25 25 GLY H H 25 8.402 8.402 8.202 0.200 25442 105 1 . 1 1 26 26 ASP N N 26 122.820 122.820 122.824 -0.004 25442 106 1 . 1 1 26 26 ASP HA H 26 4.515 4.515 4.445 0.070 25442 107 1 . 1 1 26 26 ASP CA C 26 58.005 58.005 57.120 0.885 25442 108 1 . 1 1 26 26 ASP CB C 26 41.261 41.261 40.553 0.708 25442 109 1 . 1 1 26 26 ASP H H 26 7.539 7.539 7.721 -0.182 25442 110 1 . 1 1 27 27 ILE N N 27 118.686 118.686 120.554 -1.868 25442 111 1 . 1 1 27 27 ILE HA H 27 3.609 3.609 3.792 -0.183 25442 112 1 . 1 1 27 27 ILE CA C 27 65.348 65.348 65.276 0.072 25442 113 1 . 1 1 27 27 ILE CB C 27 37.789 37.789 37.998 -0.209 25442 114 1 . 1 1 27 27 ILE H H 27 7.832 7.832 7.876 -0.044 25442 115 1 . 1 1 28 28 LEU N N 28 119.737 119.737 120.621 -0.884 25442 116 1 . 1 1 28 28 LEU HA H 28 3.790 3.790 3.891 -0.101 25442 117 1 . 1 1 28 28 LEU CA C 28 59.040 59.040 58.618 0.422 25442 118 1 . 1 1 28 28 LEU CB C 28 42.520 42.520 41.623 0.897 25442 119 1 . 1 1 28 28 LEU H H 28 8.731 8.731 8.229 0.502 25442 120 1 . 1 1 29 29 THR N N 29 119.509 119.509 115.202 4.307 25442 121 1 . 1 1 29 29 THR HA H 29 4.045 4.045 3.965 0.080 25442 122 1 . 1 1 29 29 THR CA C 29 67.196 67.196 66.799 0.397 25442 123 1 . 1 1 29 29 THR CB C 29 69.194 69.194 68.592 0.602 25442 124 1 . 1 1 29 29 THR H H 29 8.251 8.251 7.941 0.310 25442 125 1 . 1 1 30 30 VAL N N 30 117.974 117.974 121.229 -3.255 25442 126 1 . 1 1 30 30 VAL HA H 30 3.869 3.869 3.731 0.138 25442 127 1 . 1 1 30 30 VAL CA C 30 65.727 65.727 66.237 -0.510 25442 128 1 . 1 1 30 30 VAL CB C 30 32.912 32.912 31.776 1.136 25442 129 1 . 1 1 30 30 VAL H H 30 7.627 7.627 7.877 -0.250 25442 130 1 . 1 1 31 31 PHE N N 31 113.937 113.937 116.708 -2.771 25442 131 1 . 1 1 31 31 PHE HA H 31 3.908 3.908 4.602 -0.694 25442 132 1 . 1 1 31 31 PHE CA C 31 62.044 62.044 59.727 2.317 25442 133 1 . 1 1 31 31 PHE CB C 31 37.217 37.217 39.078 -1.861 25442 134 1 . 1 1 31 31 PHE H H 31 8.903 8.903 8.521 0.382 25442 135 1 . 1 1 32 32 SER N N 32 118.854 118.854 116.725 2.129 25442 136 1 . 1 1 32 32 SER HA H 32 5.405 5.405 4.043 1.362 25442 137 1 . 1 1 32 32 SER CA C 32 61.282 61.282 62.206 -0.924 25442 138 1 . 1 1 32 32 SER CB C 32 64.055 64.055 62.914 1.141 25442 139 1 . 1 1 32 32 SER H H 32 8.024 8.024 8.494 -0.470 25442 140 1 . 1 1 33 33 GLU N N 33 121.203 121.203 120.302 0.901 25442 141 1 . 1 1 33 33 GLU HA H 33 2.246 2.246 4.001 -1.755 25442 142 1 . 1 1 33 33 GLU CA C 33 59.596 59.596 58.065 1.531 25442 143 1 . 1 1 33 33 GLU H H 33 6.935 6.935 8.020 -1.085 25442 144 1 . 1 1 34 34 TYR N N 34 108.039 108.039 118.915 -10.876 25442 145 1 . 1 1 34 34 TYR HA H 34 4.953 4.953 4.578 0.375 25442 146 1 . 1 1 34 34 TYR CA C 34 57.226 57.226 56.847 0.379 25442 147 1 . 1 1 34 34 TYR CB C 34 38.821 38.821 37.402 1.419 25442 148 1 . 1 1 34 34 TYR H H 34 6.254 6.254 7.393 -1.139 25442 149 1 . 1 1 35 35 GLY N N 35 103.601 103.601 107.446 -3.845 25442 150 1 . 1 1 35 35 GLY CA C 35 44.594 44.594 44.637 -0.043 25442 151 1 . 1 1 35 35 GLY H H 35 7.247 7.247 7.432 -0.185 25442 152 1 . 1 1 36 36 VAL N N 36 120.482 120.482 122.744 -2.262 25442 153 1 . 1 1 36 36 VAL HA H 36 4.537 4.537 4.117 0.420 25442 154 1 . 1 1 36 36 VAL CA C 36 59.942 59.942 60.843 -0.901 25442 155 1 . 1 1 36 36 VAL CB C 36 33.989 33.989 33.178 0.811 25442 156 1 . 1 1 36 36 VAL H H 36 8.549 8.549 7.672 0.877 25442 157 1 . 1 1 37 37 PRO HA H 37 4.543 4.543 4.520 0.023 25442 158 1 . 1 1 37 37 PRO CA C 37 62.043 62.043 62.416 -0.373 25442 159 1 . 1 1 37 37 PRO CB C 37 31.531 31.531 32.376 -0.845 25442 160 1 . 1 1 38 38 VAL N N 38 118.566 118.566 115.438 3.128 25442 161 1 . 1 1 38 38 VAL HA H 38 4.439 4.439 4.270 0.169 25442 162 1 . 1 1 38 38 VAL CA C 38 61.064 61.064 62.330 -1.266 25442 163 1 . 1 1 38 38 VAL CB C 38 32.842 32.842 32.483 0.359 25442 164 1 . 1 1 38 38 VAL H H 38 9.099 9.099 8.190 0.909 25442 165 1 . 1 1 39 39 ASP N N 39 118.912 118.912 119.543 -0.631 25442 166 1 . 1 1 39 39 ASP HA H 39 4.920 4.920 4.826 0.094 25442 167 1 . 1 1 39 39 ASP CA C 39 54.860 54.860 54.109 0.751 25442 168 1 . 1 1 39 39 ASP CB C 39 44.441 44.441 44.727 -0.286 25442 169 1 . 1 1 39 39 ASP H H 39 7.300 7.300 7.636 -0.336 25442 170 1 . 1 1 40 40 VAL N N 40 123.365 123.365 121.072 2.293 25442 171 1 . 1 1 40 40 VAL HA H 40 4.759 4.759 4.597 0.163 25442 172 1 . 1 1 40 40 VAL CA C 40 61.259 61.259 60.885 0.374 25442 173 1 . 1 1 40 40 VAL CB C 40 34.464 34.464 34.398 0.066 25442 174 1 . 1 1 40 40 VAL H H 40 8.052 8.052 8.420 -0.368 25442 175 1 . 1 1 41 41 ILE N N 41 127.951 127.951 127.435 0.516 25442 176 1 . 1 1 41 41 ILE HA H 41 4.361 4.361 4.365 -0.004 25442 177 1 . 1 1 41 41 ILE CA C 41 60.204 60.204 60.635 -0.431 25442 178 1 . 1 1 41 41 ILE CB C 41 41.220 41.220 39.513 1.707 25442 179 1 . 1 1 41 41 ILE H H 41 9.031 9.031 8.749 0.282 25442 180 1 . 1 1 42 42 LEU N N 42 130.034 130.034 129.163 0.871 25442 181 1 . 1 1 42 42 LEU HA H 42 4.415 4.415 4.557 -0.142 25442 182 1 . 1 1 42 42 LEU CA C 42 53.832 53.832 53.702 0.130 25442 183 1 . 1 1 42 42 LEU CB C 42 44.353 44.353 42.924 1.429 25442 184 1 . 1 1 42 42 LEU H H 42 8.935 8.935 8.581 0.354 25442 185 1 . 1 1 43 43 SER N N 43 121.977 121.977 119.872 2.105 25442 186 1 . 1 1 43 43 SER HA H 43 4.092 4.092 4.461 -0.369 25442 187 1 . 1 1 43 43 SER CA C 43 59.298 59.298 58.820 0.478 25442 188 1 . 1 1 43 43 SER CB C 43 62.879 62.879 63.841 -0.962 25442 189 1 . 1 1 43 43 SER H H 43 8.088 8.088 8.319 -0.231 25442 190 1 . 1 1 44 44 ARG N N 44 125.852 125.852 122.646 3.206 25442 191 1 . 1 1 44 44 ARG HA H 44 4.906 4.906 4.561 0.345 25442 192 1 . 1 1 44 44 ARG CA C 44 54.363 54.363 54.978 -0.615 25442 193 1 . 1 1 44 44 ARG CB C 44 34.095 34.095 33.164 0.931 25442 194 1 . 1 1 44 44 ARG H H 44 8.081 8.081 8.255 -0.173 25442 195 1 . 1 1 45 45 ASP N N 45 123.150 123.150 122.912 0.238 25442 196 1 . 1 1 45 45 ASP HA H 45 4.425 4.425 4.706 -0.281 25442 197 1 . 1 1 45 45 ASP CA C 45 54.728 54.728 53.695 1.033 25442 198 1 . 1 1 45 45 ASP CB C 45 43.318 43.318 41.848 1.470 25442 199 1 . 1 1 45 45 ASP H H 45 8.594 8.594 8.472 0.122 25442 200 1 . 1 1 46 46 GLU N N 46 127.786 127.786 124.361 3.425 25442 201 1 . 1 1 46 46 GLU HA H 46 4.048 4.048 4.077 -0.029 25442 202 1 . 1 1 46 46 GLU CA C 46 59.018 59.018 58.460 0.558 25442 203 1 . 1 1 46 46 GLU CB C 46 29.870 29.870 29.471 0.399 25442 204 1 . 1 1 46 46 GLU H H 46 9.250 9.250 8.837 0.413 25442 205 1 . 1 1 47 47 ASN N N 47 116.105 116.105 117.181 -1.076 25442 206 1 . 1 1 47 47 ASN HA H 47 4.825 4.825 4.566 0.259 25442 207 1 . 1 1 47 47 ASN CA C 47 55.321 55.321 55.351 -0.030 25442 208 1 . 1 1 47 47 ASN CB C 47 39.927 39.927 38.642 1.285 25442 209 1 . 1 1 47 47 ASN H H 47 8.857 8.857 8.641 0.216 25442 210 1 . 1 1 48 48 THR N N 48 108.395 108.395 110.013 -1.618 25442 211 1 . 1 1 48 48 THR HA H 48 4.461 4.461 4.480 -0.019 25442 212 1 . 1 1 48 48 THR CA C 48 61.883 61.883 62.192 -0.309 25442 213 1 . 1 1 48 48 THR CB C 48 71.194 71.194 70.428 0.766 25442 214 1 . 1 1 48 48 THR H H 48 8.539 8.539 7.666 0.873 25442 215 1 . 1 1 49 49 GLY N N 49 110.910 110.910 110.999 -0.089 25442 216 1 . 1 1 49 49 GLY CA C 49 45.706 45.706 45.301 0.405 25442 217 1 . 1 1 49 49 GLY H H 49 8.293 8.293 8.185 0.108 25442 218 1 . 1 1 50 50 GLU N N 50 120.328 120.328 118.892 1.436 25442 219 1 . 1 1 50 50 GLU HA H 50 4.162 4.162 4.468 -0.306 25442 220 1 . 1 1 50 50 GLU CA C 50 56.540 56.540 55.631 0.909 25442 221 1 . 1 1 50 50 GLU CB C 50 30.948 30.948 31.084 -0.136 25442 222 1 . 1 1 50 50 GLU H H 50 7.854 7.854 8.087 -0.233 25442 223 1 . 1 1 51 51 SER N N 51 117.235 117.235 116.790 0.445 25442 224 1 . 1 1 51 51 SER HA H 51 4.391 4.391 4.503 -0.112 25442 225 1 . 1 1 51 51 SER CA C 51 58.361 58.361 58.339 0.022 25442 226 1 . 1 1 51 51 SER CB C 51 64.438 64.438 64.198 0.240 25442 227 1 . 1 1 51 51 SER H H 51 8.950 8.950 8.409 0.541 25442 228 1 . 1 1 52 52 GLN N N 52 122.996 122.996 122.182 0.814 25442 229 1 . 1 1 52 52 GLN HA H 52 4.516 4.516 4.243 0.273 25442 230 1 . 1 1 52 52 GLN CA C 52 55.406 55.406 56.401 -0.995 25442 231 1 . 1 1 52 52 GLN CB C 52 29.624 29.624 29.093 0.531 25442 232 1 . 1 1 52 52 GLN H H 52 8.929 8.929 8.540 0.389 25442 233 1 . 1 1 53 53 GLY N N 53 106.139 106.139 106.755 -0.616 25442 234 1 . 1 1 53 53 GLY CA C 53 46.434 46.434 44.904 1.530 25442 235 1 . 1 1 53 53 GLY H H 53 8.876 8.876 8.386 0.490 25442 236 1 . 1 1 54 54 PHE N N 54 112.294 112.294 115.766 -3.473 25442 237 1 . 1 1 54 54 PHE HA H 54 5.436 5.436 5.324 0.112 25442 238 1 . 1 1 54 54 PHE CA C 54 55.464 55.464 54.693 0.771 25442 239 1 . 1 1 54 54 PHE CB C 54 41.207 41.207 41.102 0.105 25442 240 1 . 1 1 54 54 PHE H H 54 6.938 6.938 7.076 -0.138 25442 241 1 . 1 1 55 55 ALA N N 55 121.935 121.935 121.193 0.742 25442 242 1 . 1 1 55 55 ALA HA H 55 5.051 5.051 4.435 0.616 25442 243 1 . 1 1 55 55 ALA CA C 55 49.517 49.517 51.355 -1.838 25442 244 1 . 1 1 55 55 ALA CB C 55 24.966 24.966 22.189 2.778 25442 245 1 . 1 1 55 55 ALA H H 55 9.098 9.098 8.007 1.091 25442 246 1 . 1 1 56 56 TYR N N 56 114.799 114.799 117.993 -3.194 25442 247 1 . 1 1 56 56 TYR HA H 56 5.652 5.652 5.249 0.403 25442 248 1 . 1 1 56 56 TYR CA C 56 56.128 56.128 56.686 -0.558 25442 249 1 . 1 1 56 56 TYR CB C 56 42.405 42.405 41.113 1.292 25442 250 1 . 1 1 56 56 TYR H H 56 8.572 8.572 8.466 0.106 25442 251 1 . 1 1 57 57 LEU N N 57 123.129 123.129 122.145 0.984 25442 252 1 . 1 1 57 57 LEU HA H 57 5.100 5.100 4.850 0.250 25442 253 1 . 1 1 57 57 LEU CA C 57 54.552 54.552 54.030 0.522 25442 254 1 . 1 1 57 57 LEU H H 57 8.600 8.600 8.662 -0.062 25442 255 1 . 1 1 58 58 LYS N N 58 126.556 126.556 124.519 2.037 25442 256 1 . 1 1 58 58 LYS HA H 58 4.553 4.553 4.336 0.217 25442 257 1 . 1 1 58 58 LYS CA C 58 54.518 54.518 54.749 -0.231 25442 258 1 . 1 1 58 58 LYS CB C 58 36.254 36.254 34.180 2.074 25442 259 1 . 1 1 58 58 LYS H H 58 8.389 8.389 8.178 0.211 25442 260 1 . 1 1 59 59 TYR N N 59 126.761 126.761 125.660 1.101 25442 261 1 . 1 1 59 59 TYR HA H 59 5.061 5.061 4.597 0.464 25442 262 1 . 1 1 59 59 TYR CA C 59 58.271 58.271 56.882 1.389 25442 263 1 . 1 1 59 59 TYR H H 59 9.035 9.035 8.357 0.678 25442 264 1 . 1 1 60 60 GLU N N 60 120.097 120.097 121.511 -1.414 25442 265 1 . 1 1 60 60 GLU HA H 60 3.890 3.890 4.011 -0.121 25442 266 1 . 1 1 60 60 GLU CA C 60 59.244 59.244 58.092 1.153 25442 267 1 . 1 1 60 60 GLU CB C 60 31.145 31.145 30.022 1.123 25442 268 1 . 1 1 60 60 GLU H H 60 8.796 8.796 8.225 0.571 25442 269 1 . 1 1 61 61 ASP N N 61 117.697 117.697 117.966 -0.269 25442 270 1 . 1 1 61 61 ASP HA H 61 4.842 4.842 4.838 0.004 25442 271 1 . 1 1 61 61 ASP CA C 61 51.550 51.550 53.189 -1.639 25442 272 1 . 1 1 61 61 ASP CB C 61 43.258 43.258 42.118 1.140 25442 273 1 . 1 1 61 61 ASP H H 61 8.006 8.006 7.882 0.124 25442 274 1 . 1 1 62 62 GLN N N 62 126.321 126.321 123.082 3.239 25442 275 1 . 1 1 62 62 GLN HA H 62 4.223 4.223 3.962 0.261 25442 276 1 . 1 1 62 62 GLN CA C 62 58.637 58.637 58.806 -0.169 25442 277 1 . 1 1 62 62 GLN CB C 62 27.994 27.994 28.842 -0.848 25442 278 1 . 1 1 62 62 GLN H H 62 9.053 9.053 8.824 0.229 25442 279 1 . 1 1 63 63 ARG N N 63 121.086 121.086 118.748 2.338 25442 280 1 . 1 1 63 63 ARG HA H 63 3.654 3.654 4.091 -0.437 25442 281 1 . 1 1 63 63 ARG CA C 63 58.971 58.971 58.915 0.056 25442 282 1 . 1 1 63 63 ARG H H 63 8.960 8.960 8.482 0.478 25442 283 1 . 1 1 64 64 SER N N 64 114.891 114.891 114.062 0.829 25442 284 1 . 1 1 64 64 SER HA H 64 3.704 3.704 4.289 -0.585 25442 285 1 . 1 1 64 64 SER CA C 64 63.589 63.589 61.571 2.018 25442 286 1 . 1 1 64 64 SER H H 64 8.143 8.143 8.161 -0.018 25442 287 1 . 1 1 65 65 THR N N 65 111.019 111.019 116.010 -4.991 25442 288 1 . 1 1 65 65 THR HA H 65 3.765 3.765 3.989 -0.224 25442 289 1 . 1 1 65 65 THR CA C 65 66.198 66.198 65.456 0.742 25442 290 1 . 1 1 65 65 THR CB C 65 68.461 68.461 68.291 0.170 25442 291 1 . 1 1 65 65 THR H H 65 7.633 7.633 7.571 0.062 25442 292 1 . 1 1 66 66 ILE N N 66 123.242 123.242 122.142 1.100 25442 293 1 . 1 1 66 66 ILE HA H 66 3.673 3.673 3.788 -0.115 25442 294 1 . 1 1 66 66 ILE CA C 66 64.506 64.506 64.995 -0.489 25442 295 1 . 1 1 66 66 ILE CB C 66 38.668 38.668 37.637 1.031 25442 296 1 . 1 1 66 66 ILE H H 66 6.648 6.648 7.473 -0.825 25442 297 1 . 1 1 67 67 LEU N N 67 113.375 113.375 120.029 -6.654 25442 298 1 . 1 1 67 67 LEU HA H 67 3.627 3.627 3.882 -0.255 25442 299 1 . 1 1 67 67 LEU CA C 67 57.678 57.678 58.091 -0.413 25442 300 1 . 1 1 67 67 LEU CB C 67 41.866 41.866 41.531 0.335 25442 301 1 . 1 1 67 67 LEU H H 67 6.899 6.899 7.605 -0.706 25442 302 1 . 1 1 68 68 ALA N N 68 120.327 120.327 120.896 -0.569 25442 303 1 . 1 1 68 68 ALA HA H 68 3.406 3.406 3.549 -0.143 25442 304 1 . 1 1 68 68 ALA CA C 68 55.643 55.643 54.932 0.711 25442 305 1 . 1 1 68 68 ALA CB C 68 19.395 19.395 18.270 1.125 25442 306 1 . 1 1 68 68 ALA H H 68 8.201 8.201 7.755 0.446 25442 307 1 . 1 1 69 69 VAL N N 69 118.977 118.977 118.149 0.828 25442 308 1 . 1 1 69 69 VAL HA H 69 3.221 3.221 3.589 -0.368 25442 309 1 . 1 1 69 69 VAL CA C 69 67.039 67.039 66.730 0.309 25442 310 1 . 1 1 69 69 VAL CB C 69 31.896 31.896 31.509 0.387 25442 311 1 . 1 1 69 69 VAL H H 69 8.235 8.235 8.055 0.180 25442 312 1 . 1 1 70 70 ASP N N 70 116.894 116.894 118.709 -1.815 25442 313 1 . 1 1 70 70 ASP HA H 70 3.941 3.941 4.430 -0.489 25442 314 1 . 1 1 70 70 ASP CA C 70 57.576 57.576 56.556 1.020 25442 315 1 . 1 1 70 70 ASP CB C 70 39.037 39.037 40.601 -1.563 25442 316 1 . 1 1 70 70 ASP H H 70 8.152 8.152 8.000 0.152 25442 317 1 . 1 1 71 71 ASN N N 71 110.936 110.936 116.508 -5.572 25442 318 1 . 1 1 71 71 ASN HA H 71 5.009 5.009 4.512 0.497 25442 319 1 . 1 1 71 71 ASN CA C 71 55.710 55.710 54.657 1.053 25442 320 1 . 1 1 71 71 ASN CB C 71 42.091 42.091 39.163 2.928 25442 321 1 . 1 1 71 71 ASN H H 71 7.562 7.562 7.782 -0.220 25442 322 1 . 1 1 72 72 LEU N N 72 116.460 116.460 117.969 -1.509 25442 323 1 . 1 1 72 72 LEU HA H 72 4.686 4.686 4.304 0.382 25442 324 1 . 1 1 72 72 LEU CA C 72 54.411 54.411 54.914 -0.503 25442 325 1 . 1 1 72 72 LEU CB C 72 42.477 42.477 41.871 0.606 25442 326 1 . 1 1 72 72 LEU H H 72 8.406 8.406 7.980 0.426 25442 327 1 . 1 1 73 73 ASN N N 73 118.618 118.618 118.654 -0.036 25442 328 1 . 1 1 73 73 ASN HA H 73 4.419 4.419 4.579 -0.161 25442 329 1 . 1 1 73 73 ASN CA C 73 56.716 56.716 54.497 2.219 25442 330 1 . 1 1 73 73 ASN CB C 73 39.452 39.452 38.459 0.993 25442 331 1 . 1 1 73 73 ASN H H 73 6.956 6.956 7.871 -0.915 25442 332 1 . 1 1 74 74 GLY N N 74 116.095 116.095 114.032 2.063 25442 333 1 . 1 1 74 74 GLY CA C 74 45.912 45.912 45.244 0.668 25442 334 1 . 1 1 74 74 GLY H H 74 9.379 9.379 8.516 0.863 25442 335 1 . 1 1 75 75 PHE N N 75 123.354 123.354 122.683 0.671 25442 336 1 . 1 1 75 75 PHE HA H 75 4.311 4.311 4.531 -0.220 25442 337 1 . 1 1 75 75 PHE CA C 75 58.979 58.979 56.859 2.120 25442 338 1 . 1 1 75 75 PHE CB C 75 41.709 41.709 40.332 1.377 25442 339 1 . 1 1 75 75 PHE H H 75 8.211 8.211 7.599 0.612 25442 340 1 . 1 1 76 76 LYS N N 76 127.267 127.267 127.547 -0.280 25442 341 1 . 1 1 76 76 LYS HA H 76 4.598 4.598 4.281 0.317 25442 342 1 . 1 1 76 76 LYS CA C 76 56.529 56.529 55.949 0.580 25442 343 1 . 1 1 76 76 LYS CB C 76 33.073 33.073 32.505 0.568 25442 344 1 . 1 1 76 76 LYS H H 76 7.648 7.648 8.100 -0.452 25442 345 1 . 1 1 77 77 ILE N N 77 121.576 121.576 124.998 -3.422 25442 346 1 . 1 1 77 77 ILE HA H 77 4.406 4.406 4.133 0.273 25442 347 1 . 1 1 77 77 ILE CA C 77 60.214 60.214 60.783 -0.569 25442 348 1 . 1 1 77 77 ILE CB C 77 40.048 40.048 40.310 -0.262 25442 349 1 . 1 1 77 77 ILE H H 77 8.100 8.100 8.662 -0.562 25442 350 1 . 1 1 78 78 GLY CA C 78 47.118 47.118 45.391 1.727 25442 351 1 . 1 1 79 79 GLY CA C 79 45.171 45.171 44.859 0.312 25442 352 1 . 1 1 80 80 ARG N N 80 119.377 119.377 120.646 -1.269 25442 353 1 . 1 1 80 80 ARG HA H 80 4.650 4.650 4.622 0.028 25442 354 1 . 1 1 80 80 ARG CA C 80 54.849 54.849 54.217 0.632 25442 355 1 . 1 1 80 80 ARG CB C 80 33.411 33.411 33.093 0.318 25442 356 1 . 1 1 80 80 ARG H H 80 7.379 7.379 7.599 -0.220 25442 357 1 . 1 1 81 81 ALA N N 81 126.782 126.782 125.279 1.503 25442 358 1 . 1 1 81 81 ALA HA H 81 4.137 4.137 4.713 -0.576 25442 359 1 . 1 1 81 81 ALA CA C 81 51.454 51.454 51.122 0.332 25442 360 1 . 1 1 81 81 ALA CB C 81 19.131 19.131 19.676 -0.545 25442 361 1 . 1 1 81 81 ALA H H 81 8.734 8.734 8.404 0.330 25442 362 1 . 1 1 82 82 LEU N N 82 125.769 125.769 122.006 3.763 25442 363 1 . 1 1 82 82 LEU HA H 82 4.390 4.390 4.654 -0.264 25442 364 1 . 1 1 82 82 LEU CA C 82 56.196 56.196 54.745 1.451 25442 365 1 . 1 1 82 82 LEU CB C 82 43.362 43.362 43.204 0.158 25442 366 1 . 1 1 82 82 LEU H H 82 8.736 8.736 8.139 0.597 25442 367 1 . 1 1 83 83 LYS N N 83 123.851 123.851 122.752 1.099 25442 368 1 . 1 1 83 83 LYS HA H 83 5.005 5.005 4.680 0.325 25442 369 1 . 1 1 83 83 LYS CA C 83 54.790 54.790 55.080 -0.290 25442 370 1 . 1 1 83 83 LYS CB C 83 34.212 34.212 34.148 0.064 25442 371 1 . 1 1 83 83 LYS H H 83 7.838 7.838 8.335 -0.497 25442 372 1 . 1 1 84 84 ILE N N 84 125.629 125.629 126.736 -1.107 25442 373 1 . 1 1 84 84 ILE HA H 84 5.576 5.576 5.064 0.512 25442 374 1 . 1 1 84 84 ILE CA C 84 58.513 58.513 59.108 -0.595 25442 375 1 . 1 1 84 84 ILE CB C 84 40.310 40.310 38.473 1.837 25442 376 1 . 1 1 84 84 ILE H H 84 8.727 8.727 8.562 0.165 25442 377 1 . 1 1 85 85 ASP N N 85 124.427 124.427 126.851 -2.424 25442 378 1 . 1 1 85 85 ASP HA H 85 5.094 5.094 4.925 0.169 25442 379 1 . 1 1 85 85 ASP CA C 85 52.697 52.697 52.713 -0.016 25442 380 1 . 1 1 85 85 ASP CB C 85 45.574 45.574 44.431 1.143 25442 381 1 . 1 1 85 85 ASP H H 85 8.960 8.960 8.628 0.332 25442 382 1 . 1 1 86 86 HIS N N 86 121.356 121.356 121.471 -0.115 25442 383 1 . 1 1 86 86 HIS HA H 86 4.635 4.635 4.823 -0.188 25442 384 1 . 1 1 86 86 HIS CA C 86 58.158 58.158 56.847 1.310 25442 385 1 . 1 1 86 86 HIS CB C 86 31.368 31.368 30.918 0.450 25442 386 1 . 1 1 86 86 HIS H H 86 8.783 8.783 8.663 0.120 25442 387 1 . 1 1 87 87 THR N N 87 114.331 114.331 117.044 -2.713 25442 388 1 . 1 1 87 87 THR HA H 87 4.691 4.691 4.618 0.073 25442 389 1 . 1 1 87 87 THR CA C 87 60.890 60.890 60.835 0.055 25442 390 1 . 1 1 87 87 THR CB C 87 70.215 70.215 70.638 -0.423 25442 391 1 . 1 1 87 87 THR H H 87 8.032 8.032 8.658 -0.626 25442 392 1 . 1 1 88 88 PHE N N 88 118.673 118.673 122.159 -3.486 25442 393 1 . 1 1 88 88 PHE HA H 88 4.305 4.305 4.760 -0.455 25442 394 1 . 1 1 88 88 PHE CA C 88 58.926 58.926 56.865 2.061 25442 395 1 . 1 1 88 88 PHE CB C 88 39.673 39.673 38.539 1.134 25442 396 1 . 1 1 88 88 PHE H H 88 8.233 8.233 8.353 -0.120 25442 397 1 . 1 1 89 89 TYR N N 89 124.182 124.182 121.450 2.732 25442 398 1 . 1 1 89 89 TYR HA H 89 4.193 4.193 4.189 0.004 25442 399 1 . 1 1 89 89 TYR CA C 89 58.510 58.510 57.830 0.679 25442 400 1 . 1 1 89 89 TYR CB C 89 39.993 39.993 38.761 1.232 25442 401 1 . 1 1 89 89 TYR H H 89 8.246 8.246 7.479 0.767 25442 402 1 . 1 1 90 90 ARG N N 90 125.111 125.111 126.985 -1.874 25442 403 1 . 1 1 90 90 ARG HA H 90 4.219 4.219 4.223 -0.004 25442 404 1 . 1 1 90 90 ARG CA C 90 52.511 52.511 53.047 -0.536 25442 405 1 . 1 1 90 90 ARG CB C 90 31.298 31.298 30.113 1.185 25442 406 1 . 1 1 90 90 ARG H H 90 7.223 7.223 8.064 -0.840 25442 407 1 . 1 1 91 91 PRO HA H 91 4.028 4.028 4.163 -0.135 25442 408 1 . 1 1 91 91 PRO CA C 91 62.759 62.759 62.665 0.094 25442 409 1 . 1 1 91 91 PRO CB C 91 32.074 32.074 32.140 -0.066 25442 410 1 . 1 1 94 94 SER HA H 94 4.466 4.466 4.500 -0.034 25442 411 1 . 1 1 94 94 SER CA C 94 58.273 58.273 58.310 -0.037 25442 412 1 . 1 1 94 94 SER CB C 94 63.656 63.656 63.962 -0.306 25442 413 1 . 1 1 95 95 LEU HA H 95 4.369 4.369 4.457 -0.088 25442 414 1 . 1 1 95 95 LEU CA C 95 55.482 55.482 55.425 0.057 25442 415 1 . 1 1 95 95 LEU CB C 95 42.350 42.350 41.956 0.394 25442 416 1 . 1 1 97 97 LYS HA H 97 4.197 4.197 4.192 0.005 25442 417 1 . 1 1 97 97 LYS CA C 97 56.923 56.923 57.089 -0.166 25442 418 1 . 1 1 97 97 LYS CB C 97 32.936 32.936 31.855 1.081 25442 419 1 . 1 1 98 98 TYR N N 98 120.486 120.486 119.866 0.620 25442 420 1 . 1 1 98 98 TYR HA H 98 4.477 4.477 4.348 0.129 25442 421 1 . 1 1 98 98 TYR CA C 98 58.249 58.249 58.910 -0.661 25442 422 1 . 1 1 98 98 TYR CB C 98 38.659 38.659 38.270 0.389 25442 423 1 . 1 1 98 98 TYR H H 98 7.979 7.979 8.193 -0.214 25442 424 1 . 1 1 99 99 TYR N N 99 120.784 120.784 121.453 -0.669 25442 425 1 . 1 1 99 99 TYR HA H 99 4.455 4.455 4.138 0.317 25442 426 1 . 1 1 99 99 TYR CA C 99 58.281 58.281 60.560 -2.279 25442 427 1 . 1 1 99 99 TYR CB C 99 38.902 38.902 38.623 0.279 25442 428 1 . 1 1 99 99 TYR H H 99 7.918 7.918 8.254 -0.336 25442 429 1 . 1 1 100 100 GLU N N 100 122.033 122.033 119.340 2.693 25442 430 1 . 1 1 100 100 GLU HA H 100 4.171 4.171 4.040 0.131 25442 431 1 . 1 1 100 100 GLU CA C 100 56.766 56.766 58.267 -1.501 25442 432 1 . 1 1 100 100 GLU H H 100 8.055 8.055 8.518 -0.463 25442 433 1 . 1 1 101 101 ALA N N 101 124.629 124.629 121.112 3.517 25442 434 1 . 1 1 101 101 ALA HA H 101 4.283 4.283 4.168 0.115 25442 435 1 . 1 1 101 101 ALA CA C 101 52.795 52.795 53.546 -0.751 25442 436 1 . 1 1 101 101 ALA CB C 101 19.150 19.150 18.524 0.626 25442 437 1 . 1 1 101 101 ALA H H 101 8.040 8.040 7.708 0.332 25442 438 1 . 1 1 102 102 VAL N N 102 119.031 119.031 116.640 2.391 25442 439 1 . 1 1 102 102 VAL HA H 102 4.039 4.039 3.832 0.207 25442 440 1 . 1 1 102 102 VAL CA C 102 62.675 62.675 63.863 -1.188 25442 441 1 . 1 1 102 102 VAL CB C 102 32.610 32.610 31.802 0.808 25442 442 1 . 1 1 102 102 VAL H H 102 7.960 7.960 7.424 0.536 25442 443 1 . 1 1 103 103 LYS N N 103 124.562 124.562 120.273 4.290 25442 444 1 . 1 1 103 103 LYS HA H 103 4.258 4.258 4.139 0.119 25442 445 1 . 1 1 103 103 LYS CA C 103 56.797 56.797 57.218 -0.421 25442 446 1 . 1 1 103 103 LYS CB C 103 33.012 33.012 32.579 0.433 25442 447 1 . 1 1 103 103 LYS H H 103 8.207 8.207 7.737 0.470 25442 448 1 . 1 1 104 104 GLU N N 104 121.722 121.722 118.575 3.147 25442 449 1 . 1 1 104 104 GLU HA H 104 4.263 4.263 4.190 0.073 25442 450 1 . 1 1 104 104 GLU CA C 104 57.034 57.034 57.283 -0.249 25442 451 1 . 1 1 104 104 GLU CB C 104 30.351 30.351 29.249 1.102 25442 452 1 . 1 1 104 104 GLU H H 104 8.325 8.325 8.274 0.051 25442 453 1 . 1 1 105 105 GLU N N 105 121.479 121.479 120.163 1.316 25442 454 1 . 1 1 105 105 GLU HA H 105 4.264 4.264 4.142 0.123 25442 455 1 . 1 1 105 105 GLU CA C 105 56.802 56.802 58.168 -1.366 25442 456 1 . 1 1 105 105 GLU CB C 105 30.351 30.351 29.756 0.595 25442 457 1 . 1 1 105 105 GLU H H 105 8.288 8.288 8.249 0.039 25442 458 1 . 1 1 106 106 LEU N N 106 122.549 122.549 118.871 3.678 25442 459 1 . 1 1 106 106 LEU HA H 106 4.316 4.316 4.255 0.061 25442 460 1 . 1 1 106 106 LEU CA C 106 55.545 55.545 55.972 -0.427 25442 461 1 . 1 1 106 106 LEU CB C 106 42.538 42.538 41.953 0.585 25442 462 1 . 1 1 106 106 LEU H H 106 8.154 8.154 8.007 0.147 25442 463 1 . 1 1 107 107 ASP N N 107 120.656 120.656 119.244 1.412 25442 464 1 . 1 1 107 107 ASP HA H 107 4.587 4.587 4.549 0.038 25442 465 1 . 1 1 107 107 ASP CA C 107 54.715 54.715 54.858 -0.143 25442 466 1 . 1 1 107 107 ASP CB C 107 41.125 41.125 40.726 0.399 25442 467 1 . 1 1 107 107 ASP H H 107 8.273 8.273 8.115 0.158 25442 468 1 . 1 1 108 108 ARG N N 108 120.710 120.710 120.203 0.507 25442 469 1 . 1 1 108 108 ARG HA H 108 4.272 4.272 4.196 0.076 25442 470 1 . 1 1 108 108 ARG CA C 108 56.778 56.778 57.192 -0.414 25442 471 1 . 1 1 108 108 ARG CB C 108 30.835 30.835 30.324 0.511 25442 472 1 . 1 1 108 108 ARG H H 108 8.041 8.041 8.030 0.011 25442 473 1 . 1 1 109 109 ASP N N 109 120.647 120.647 119.496 1.151 25442 474 1 . 1 1 109 109 ASP CA C 109 54.862 54.862 54.787 0.075 25442 475 1 . 1 1 109 109 ASP H H 109 8.331 8.331 8.271 0.060 25442 476 1 . 1 1 110 110 ILE N N 110 120.220 120.220 117.850 2.370 25442 477 1 . 1 1 110 110 ILE HA H 110 4.140 4.140 4.074 0.066 25442 478 1 . 1 1 110 110 ILE CA C 110 61.760 61.760 61.742 0.018 25442 479 1 . 1 1 110 110 ILE CB C 110 38.643 38.643 38.064 0.579 25442 480 1 . 1 1 110 110 ILE H H 110 7.910 7.910 7.913 -0.003 25442 481 1 . 1 1 111 111 VAL N N 111 122.698 122.698 120.734 1.964 25442 482 1 . 1 1 111 111 VAL HA H 111 4.095 4.095 4.070 0.025 25442 483 1 . 1 1 111 111 VAL CA C 111 62.982 62.982 63.174 -0.192 25442 484 1 . 1 1 111 111 VAL CB C 111 32.438 32.438 32.396 0.041 25442 485 1 . 1 1 111 111 VAL H H 111 8.018 8.018 8.009 0.009 25442 486 1 . 1 1 112 112 SER HA H 112 4.439 4.439 4.364 0.075 25442 487 1 . 1 1 112 112 SER CA C 112 58.581 58.581 59.249 -0.668 25442 488 1 . 1 1 112 112 SER CB C 112 63.717 63.717 63.461 0.256 25442 489 1 . 1 1 114 114 ASN HA H 114 4.690 4.690 4.610 0.080 25442 490 1 . 1 1 114 114 ASN CA C 114 53.462 53.462 53.569 -0.107 25442 491 1 . 1 1 114 114 ASN CB C 114 39.073 39.073 38.452 0.621 25442 492 1 . 1 1 115 115 ASN HA H 115 4.690 4.690 4.541 0.149 25442 493 1 . 1 1 115 115 ASN CA C 115 53.476 53.476 53.852 -0.376 25442 494 1 . 1 1 115 115 ASN CB C 115 39.073 39.073 37.956 1.117 25442 495 1 . 1 1 116 116 ALA N N 116 123.691 123.691 122.411 1.280 25442 496 1 . 1 1 116 116 ALA HA H 116 4.355 4.355 4.202 0.153 25442 497 1 . 1 1 116 116 ALA CA C 116 52.748 52.748 52.994 -0.246 25442 498 1 . 1 1 116 116 ALA CB C 116 19.559 19.559 19.247 0.312 25442 499 1 . 1 1 116 116 ALA H H 116 8.144 8.144 8.070 0.074 25442 500 1 . 1 1 117 117 GLU N N 117 120.174 120.174 118.879 1.295 25442 501 1 . 1 1 117 117 GLU HA H 117 4.284 4.284 4.226 0.058 25442 502 1 . 1 1 117 117 GLU CA C 117 56.731 56.731 56.617 0.114 25442 503 1 . 1 1 117 117 GLU CB C 117 29.944 29.944 30.138 -0.194 25442 504 1 . 1 1 117 117 GLU H H 117 8.234 8.234 8.314 -0.080 25442 stop_ save_