data_25508 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25508 _Entry.PDB_ID 2MZY 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 25508 _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 N N 2 125.581 125.581 124.493 1.088 25508 2 1 1 . 1 1 2 2 ALA HA H 2 4.204 4.204 4.641 -0.437 25508 3 1 1 . 1 1 2 2 ALA C C 2 176.764 176.764 176.814 -0.050 25508 4 1 1 . 1 1 2 2 ALA CA C 2 52.280 52.280 52.990 -0.710 25508 5 1 1 . 1 1 2 2 ALA CB C 2 19.494 19.494 19.633 -0.139 25508 6 1 1 . 1 1 2 2 ALA H H 2 8.203 8.203 8.761 -0.558 25508 7 1 1 . 1 1 3 3 ARG N N 3 123.058 123.058 117.216 5.842 25508 8 1 1 . 1 1 3 3 ARG HA H 3 4.247 4.247 4.547 -0.300 25508 9 1 1 . 1 1 3 3 ARG C C 3 174.914 174.914 174.706 0.208 25508 10 1 1 . 1 1 3 3 ARG CA C 3 55.678 55.678 54.954 0.724 25508 11 1 1 . 1 1 3 3 ARG CB C 3 31.276 31.276 32.781 -1.505 25508 12 1 1 . 1 1 3 3 ARG H H 3 8.649 8.649 8.263 0.386 25508 13 1 1 . 1 1 4 4 MET N N 4 125.010 125.010 118.640 6.370 25508 14 1 1 . 1 1 4 4 MET HA H 4 4.966 4.966 4.786 0.180 25508 15 1 1 . 1 1 4 4 MET C C 4 176.144 176.144 175.352 0.792 25508 16 1 1 . 1 1 4 4 MET CA C 4 53.311 53.311 54.631 -1.320 25508 17 1 1 . 1 1 4 4 MET CB C 4 32.120 32.120 33.100 -0.980 25508 18 1 1 . 1 1 4 4 MET H H 4 8.427 8.427 8.448 -0.021 25508 19 1 1 . 1 1 5 5 ILE N N 5 117.850 117.850 117.931 -0.081 25508 20 1 1 . 1 1 5 5 ILE HA H 5 4.623 4.623 4.625 -0.002 25508 21 1 1 . 1 1 5 5 ILE C C 5 174.207 174.207 173.353 0.854 25508 22 1 1 . 1 1 5 5 ILE CA C 5 58.353 58.353 58.846 -0.493 25508 23 1 1 . 1 1 5 5 ILE CB C 5 42.910 42.910 41.814 1.096 25508 24 1 1 . 1 1 5 5 ILE H H 5 8.860 8.860 8.878 -0.018 25508 25 1 1 . 1 1 6 6 HIS N N 6 120.378 120.378 118.881 1.497 25508 26 1 1 . 1 1 6 6 HIS HA H 6 4.301 4.301 5.088 -0.787 25508 27 1 1 . 1 1 6 6 HIS C C 6 173.087 173.087 175.248 -2.161 25508 28 1 1 . 1 1 6 6 HIS CA C 6 56.131 56.131 53.969 2.162 25508 29 1 1 . 1 1 6 6 HIS CB C 6 28.508 28.508 28.220 0.288 25508 30 1 1 . 1 1 6 6 HIS H H 6 8.506 8.506 8.179 0.327 25508 31 1 1 . 1 1 7 7 CYS N N 7 131.021 131.021 121.320 9.701 25508 32 1 1 . 1 1 7 7 CYS HA H 7 4.154 4.154 4.288 -0.134 25508 33 1 1 . 1 1 7 7 CYS C C 7 177.621 177.621 175.941 1.680 25508 34 1 1 . 1 1 7 7 CYS CA C 7 61.346 61.346 58.601 2.745 25508 35 1 1 . 1 1 7 7 CYS CB C 7 31.004 31.004 27.221 3.783 25508 36 1 1 . 1 1 7 7 CYS H H 7 7.873 7.873 7.876 -0.003 25508 37 1 1 . 1 1 8 8 ALA N N 8 133.325 133.325 127.873 5.452 25508 38 1 1 . 1 1 8 8 ALA HA H 8 4.229 4.229 3.817 0.412 25508 39 1 1 . 1 1 8 8 ALA C C 8 178.608 178.608 177.839 0.769 25508 40 1 1 . 1 1 8 8 ALA CA C 8 54.478 54.478 54.203 0.275 25508 41 1 1 . 1 1 8 8 ALA CB C 8 19.264 19.264 17.940 1.324 25508 42 1 1 . 1 1 8 8 ALA H H 8 9.543 9.543 8.048 1.495 25508 43 1 1 . 1 1 9 9 LYS N N 9 122.128 122.128 115.291 6.837 25508 44 1 1 . 1 1 9 9 LYS CA C 9 56.353 56.353 57.914 -1.561 25508 45 1 1 . 1 1 9 9 LYS CB C 9 33.619 33.619 32.383 1.236 25508 46 1 1 . 1 1 9 9 LYS H H 9 9.739 9.739 8.356 1.383 25508 47 1 1 . 1 1 10 10 LEU HA H 10 4.194 4.194 5.024 -0.830 25508 48 1 1 . 1 1 10 10 LEU C C 10 178.870 178.870 176.722 2.148 25508 49 1 1 . 1 1 10 10 LEU CA C 10 55.934 55.934 54.795 1.139 25508 50 1 1 . 1 1 10 10 LEU CB C 10 42.693 42.693 44.383 -1.690 25508 51 1 1 . 1 1 11 11 GLY N N 11 107.385 107.385 105.769 1.616 25508 52 1 1 . 1 1 11 11 GLY C C 11 173.268 173.268 173.764 -0.496 25508 53 1 1 . 1 1 11 11 GLY CA C 11 46.756 46.756 44.941 1.815 25508 54 1 1 . 1 1 11 11 GLY H H 11 8.258 8.258 8.290 -0.032 25508 55 1 1 . 1 1 12 12 LYS N N 12 112.456 112.456 119.067 -6.611 25508 56 1 1 . 1 1 12 12 LYS HA H 12 4.547 4.547 4.636 -0.089 25508 57 1 1 . 1 1 12 12 LYS C C 12 173.822 173.822 174.608 -0.786 25508 58 1 1 . 1 1 12 12 LYS CA C 12 53.523 53.523 53.973 -0.450 25508 59 1 1 . 1 1 12 12 LYS CB C 12 35.156 35.156 35.455 -0.299 25508 60 1 1 . 1 1 12 12 LYS H H 12 6.772 6.772 7.630 -0.858 25508 61 1 1 . 1 1 13 13 GLU N N 13 121.058 121.058 119.773 1.285 25508 62 1 1 . 1 1 13 13 GLU HA H 13 4.874 4.874 4.662 0.212 25508 63 1 1 . 1 1 13 13 GLU C C 13 176.290 176.290 175.474 0.816 25508 64 1 1 . 1 1 13 13 GLU CA C 13 56.291 56.291 55.866 0.425 25508 65 1 1 . 1 1 13 13 GLU CB C 13 29.827 29.827 30.500 -0.673 25508 66 1 1 . 1 1 13 13 GLU H H 13 8.402 8.402 8.600 -0.198 25508 67 1 1 . 1 1 14 14 ALA N N 14 127.978 127.978 127.735 0.243 25508 68 1 1 . 1 1 14 14 ALA HA H 14 4.514 4.514 4.710 -0.196 25508 69 1 1 . 1 1 14 14 ALA C C 14 175.156 175.156 175.301 -0.145 25508 70 1 1 . 1 1 14 14 ALA CA C 14 51.437 51.437 50.368 1.069 25508 71 1 1 . 1 1 14 14 ALA CB C 14 23.586 23.586 22.382 1.204 25508 72 1 1 . 1 1 14 14 ALA H H 14 9.330 9.330 8.532 0.798 25508 73 1 1 . 1 1 15 15 GLU N N 15 120.272 120.272 118.155 2.117 25508 74 1 1 . 1 1 15 15 GLU HA H 15 4.573 4.573 4.738 -0.165 25508 75 1 1 . 1 1 15 15 GLU C C 15 178.292 178.292 176.515 1.777 25508 76 1 1 . 1 1 15 15 GLU CA C 15 57.645 57.645 55.302 2.343 25508 77 1 1 . 1 1 15 15 GLU CB C 15 30.016 30.016 31.024 -1.008 25508 78 1 1 . 1 1 15 15 GLU H H 15 8.560 8.560 8.529 0.031 25508 79 1 1 . 1 1 16 16 GLY N N 16 113.246 113.246 109.407 3.839 25508 80 1 1 . 1 1 16 16 GLY C C 16 172.877 172.877 174.452 -1.575 25508 81 1 1 . 1 1 16 16 GLY CA C 16 44.636 44.636 43.712 0.924 25508 82 1 1 . 1 1 16 16 GLY H H 16 9.236 9.236 8.392 0.844 25508 83 1 1 . 1 1 17 17 LEU N N 17 120.058 120.058 121.950 -1.892 25508 84 1 1 . 1 1 17 17 LEU HA H 17 3.960 3.960 4.150 -0.190 25508 85 1 1 . 1 1 17 17 LEU C C 17 177.457 177.457 177.599 -0.142 25508 86 1 1 . 1 1 17 17 LEU CA C 17 55.375 55.375 56.596 -1.221 25508 87 1 1 . 1 1 17 17 LEU CB C 17 43.355 43.355 42.196 1.159 25508 88 1 1 . 1 1 17 17 LEU H H 17 9.482 9.482 8.549 0.933 25508 89 1 1 . 1 1 18 18 ASP N N 18 118.600 118.600 117.441 1.159 25508 90 1 1 . 1 1 18 18 ASP HA H 18 4.531 4.531 4.198 0.333 25508 91 1 1 . 1 1 18 18 ASP C C 18 175.929 175.929 174.074 1.855 25508 92 1 1 . 1 1 18 18 ASP CA C 18 56.544 56.544 55.396 1.148 25508 93 1 1 . 1 1 18 18 ASP CB C 18 41.655 41.655 39.761 1.894 25508 94 1 1 . 1 1 18 18 ASP H H 18 8.848 8.848 8.427 0.421 25508 95 1 1 . 1 1 19 19 PHE N N 19 113.195 113.195 116.284 -3.089 25508 96 1 1 . 1 1 19 19 PHE CA C 19 55.070 55.070 54.939 0.131 25508 97 1 1 . 1 1 19 19 PHE CB C 19 38.588 38.588 42.390 -3.802 25508 98 1 1 . 1 1 19 19 PHE H H 19 7.108 7.108 7.486 -0.378 25508 99 1 1 . 1 1 21 21 PRO HA H 21 4.357 4.357 4.530 -0.173 25508 100 1 1 . 1 1 21 21 PRO C C 21 174.627 174.627 176.146 -1.519 25508 101 1 1 . 1 1 21 21 PRO CA C 21 63.914 63.914 64.377 -0.463 25508 102 1 1 . 1 1 21 21 PRO CB C 21 31.431 31.431 32.386 -0.955 25508 103 1 1 . 1 1 22 22 LEU N N 22 117.643 117.643 117.556 0.087 25508 104 1 1 . 1 1 22 22 LEU CA C 22 51.462 51.462 51.954 -0.492 25508 105 1 1 . 1 1 22 22 LEU CB C 22 46.011 46.011 45.046 0.965 25508 106 1 1 . 1 1 22 22 LEU H H 22 6.788 6.788 7.436 -0.648 25508 107 1 1 . 1 1 24 24 GLY N N 24 105.443 105.443 113.475 -8.032 25508 108 1 1 . 1 1 24 24 GLY C C 24 175.297 175.297 174.082 1.215 25508 109 1 1 . 1 1 24 24 GLY CA C 24 45.381 45.381 44.985 0.396 25508 110 1 1 . 1 1 24 24 GLY H H 24 8.367 8.367 7.603 0.764 25508 111 1 1 . 1 1 25 25 GLU N N 25 122.031 122.031 120.141 1.890 25508 112 1 1 . 1 1 25 25 GLU HA H 25 3.887 3.887 4.258 -0.371 25508 113 1 1 . 1 1 25 25 GLU C C 25 179.015 179.015 178.531 0.484 25508 114 1 1 . 1 1 25 25 GLU CA C 25 59.283 59.283 58.027 1.256 25508 115 1 1 . 1 1 25 25 GLU CB C 25 29.176 29.176 29.829 -0.653 25508 116 1 1 . 1 1 25 25 GLU H H 25 8.737 8.737 8.680 0.057 25508 117 1 1 . 1 1 26 26 LEU N N 26 120.531 120.531 121.337 -0.806 25508 118 1 1 . 1 1 26 26 LEU HA H 26 4.104 4.104 4.057 0.047 25508 119 1 1 . 1 1 26 26 LEU C C 26 178.836 178.836 178.901 -0.065 25508 120 1 1 . 1 1 26 26 LEU CA C 26 57.981 57.981 57.610 0.371 25508 121 1 1 . 1 1 26 26 LEU CB C 26 40.939 40.939 41.634 -0.695 25508 122 1 1 . 1 1 26 26 LEU H H 26 8.852 8.852 7.940 0.912 25508 123 1 1 . 1 1 27 27 GLY N N 27 102.599 102.599 105.989 -3.390 25508 124 1 1 . 1 1 27 27 GLY C C 27 175.874 175.874 175.887 -0.013 25508 125 1 1 . 1 1 27 27 GLY CA C 27 48.024 48.024 47.483 0.541 25508 126 1 1 . 1 1 27 27 GLY H H 27 6.894 6.894 8.940 -2.046 25508 127 1 1 . 1 1 28 28 LYS N N 28 122.738 122.738 121.052 1.686 25508 128 1 1 . 1 1 28 28 LYS HA H 28 3.914 3.914 4.451 -0.537 25508 129 1 1 . 1 1 28 28 LYS C C 28 177.965 177.965 178.751 -0.786 25508 130 1 1 . 1 1 28 28 LYS CA C 28 59.844 59.844 59.090 0.754 25508 131 1 1 . 1 1 28 28 LYS CB C 28 32.169 32.169 32.058 0.111 25508 132 1 1 . 1 1 28 28 LYS H H 28 7.449 7.449 7.510 -0.061 25508 133 1 1 . 1 1 29 29 ARG N N 29 119.988 119.988 116.366 3.622 25508 134 1 1 . 1 1 29 29 ARG HA H 29 3.998 3.998 4.339 -0.341 25508 135 1 1 . 1 1 29 29 ARG CA C 29 59.876 59.876 57.551 2.325 25508 136 1 1 . 1 1 29 29 ARG CB C 29 30.829 30.829 30.186 0.643 25508 137 1 1 . 1 1 29 29 ARG H H 29 8.194 8.194 7.964 0.230 25508 138 1 1 . 1 1 30 30 LEU N N 30 119.547 119.547 121.736 -2.189 25508 139 1 1 . 1 1 30 30 LEU HA H 30 3.849 3.849 4.260 -0.411 25508 140 1 1 . 1 1 30 30 LEU C C 30 177.351 177.351 178.554 -1.203 25508 141 1 1 . 1 1 30 30 LEU CA C 30 58.068 58.068 58.137 -0.069 25508 142 1 1 . 1 1 30 30 LEU CB C 30 41.547 41.547 42.200 -0.653 25508 143 1 1 . 1 1 30 30 LEU H H 30 8.333 8.333 8.011 0.322 25508 144 1 1 . 1 1 31 31 TYR N N 31 118.033 118.033 117.434 0.599 25508 145 1 1 . 1 1 31 31 TYR HA H 31 3.895 3.895 4.176 -0.281 25508 146 1 1 . 1 1 31 31 TYR C C 31 178.434 178.434 176.522 1.912 25508 147 1 1 . 1 1 31 31 TYR CA C 31 61.391 61.391 60.388 1.003 25508 148 1 1 . 1 1 31 31 TYR CB C 31 39.083 39.083 37.874 1.209 25508 149 1 1 . 1 1 31 31 TYR H H 31 8.106 8.106 8.483 -0.377 25508 150 1 1 . 1 1 32 32 GLU N N 32 117.126 117.126 116.492 0.634 25508 151 1 1 . 1 1 32 32 GLU HA H 32 3.926 3.926 3.837 0.089 25508 152 1 1 . 1 1 32 32 GLU C C 32 178.370 178.370 175.892 2.478 25508 153 1 1 . 1 1 32 32 GLU CA C 32 58.603 58.603 56.453 2.150 25508 154 1 1 . 1 1 32 32 GLU CB C 32 30.580 30.580 28.736 1.844 25508 155 1 1 . 1 1 32 32 GLU H H 32 8.260 8.260 7.706 0.554 25508 156 1 1 . 1 1 33 33 SER N N 33 108.887 108.887 114.664 -5.777 25508 157 1 1 . 1 1 33 33 SER HA H 33 4.910 4.910 4.455 0.455 25508 158 1 1 . 1 1 33 33 SER C C 33 171.776 171.776 173.757 -1.981 25508 159 1 1 . 1 1 33 33 SER CA C 33 60.399 60.399 59.789 0.610 25508 160 1 1 . 1 1 33 33 SER CB C 33 67.057 67.057 66.006 1.051 25508 161 1 1 . 1 1 33 33 SER H H 33 7.553 7.553 7.351 0.202 25508 162 1 1 . 1 1 34 34 VAL N N 34 120.097 120.097 121.521 -1.424 25508 163 1 1 . 1 1 34 34 VAL CA C 34 61.287 61.287 61.832 -0.545 25508 164 1 1 . 1 1 34 34 VAL CB C 34 34.048 34.048 32.871 1.177 25508 165 1 1 . 1 1 34 34 VAL H H 34 8.396 8.396 8.056 0.340 25508 166 1 1 . 1 1 35 35 SER HA H 35 4.107 4.107 5.241 -1.134 25508 167 1 1 . 1 1 35 35 SER C C 35 174.321 174.321 174.655 -0.334 25508 168 1 1 . 1 1 35 35 SER CA C 35 58.771 58.771 56.254 2.517 25508 169 1 1 . 1 1 35 35 SER CB C 35 66.899 66.899 66.973 -0.074 25508 170 1 1 . 1 1 36 36 LYS N N 36 119.115 119.115 120.630 -1.515 25508 171 1 1 . 1 1 36 36 LYS HA H 36 4.016 4.016 3.992 0.024 25508 172 1 1 . 1 1 36 36 LYS C C 36 179.407 179.407 177.851 1.556 25508 173 1 1 . 1 1 36 36 LYS CA C 36 60.728 60.728 59.534 1.194 25508 174 1 1 . 1 1 36 36 LYS CB C 36 32.746 32.746 32.472 0.274 25508 175 1 1 . 1 1 36 36 LYS H H 36 8.562 8.562 8.628 -0.066 25508 176 1 1 . 1 1 37 37 GLN N N 37 118.142 118.142 118.039 0.103 25508 177 1 1 . 1 1 37 37 GLN HA H 37 3.970 3.970 4.351 -0.381 25508 178 1 1 . 1 1 37 37 GLN C C 37 177.580 177.580 177.870 -0.290 25508 179 1 1 . 1 1 37 37 GLN CA C 37 59.134 59.134 57.786 1.348 25508 180 1 1 . 1 1 37 37 GLN CB C 37 28.534 28.534 28.642 -0.107 25508 181 1 1 . 1 1 37 37 GLN H H 37 8.958 8.958 7.577 1.381 25508 182 1 1 . 1 1 38 38 ALA N N 38 121.173 121.173 123.254 -2.081 25508 183 1 1 . 1 1 38 38 ALA HA H 38 4.409 4.409 4.150 0.259 25508 184 1 1 . 1 1 38 38 ALA C C 38 181.081 181.081 178.787 2.294 25508 185 1 1 . 1 1 38 38 ALA CA C 38 55.065 55.065 54.550 0.515 25508 186 1 1 . 1 1 38 38 ALA CB C 38 19.574 19.574 18.291 1.283 25508 187 1 1 . 1 1 38 38 ALA H H 38 8.233 8.233 7.705 0.528 25508 188 1 1 . 1 1 39 39 TRP N N 39 121.046 121.046 120.748 0.298 25508 189 1 1 . 1 1 39 39 TRP HA H 39 4.898 4.898 4.253 0.645 25508 190 1 1 . 1 1 39 39 TRP C C 39 176.886 176.886 177.426 -0.540 25508 191 1 1 . 1 1 39 39 TRP CA C 39 60.403 60.403 60.870 -0.467 25508 192 1 1 . 1 1 39 39 TRP CB C 39 30.640 30.640 29.382 1.258 25508 193 1 1 . 1 1 39 39 TRP H H 39 8.891 8.891 8.512 0.379 25508 194 1 1 . 1 1 40 40 GLN N N 40 117.010 117.010 115.939 1.071 25508 195 1 1 . 1 1 40 40 GLN HA H 40 3.715 3.715 3.923 -0.208 25508 196 1 1 . 1 1 40 40 GLN C C 40 179.512 179.512 178.469 1.043 25508 197 1 1 . 1 1 40 40 GLN CA C 40 59.159 59.159 58.974 0.185 25508 198 1 1 . 1 1 40 40 GLN CB C 40 27.821 27.821 27.950 -0.129 25508 199 1 1 . 1 1 40 40 GLN H H 40 8.541 8.541 7.903 0.638 25508 200 1 1 . 1 1 41 41 ASP N N 41 120.036 120.036 120.831 -0.795 25508 201 1 1 . 1 1 41 41 ASP HA H 41 4.396 4.396 4.410 -0.014 25508 202 1 1 . 1 1 41 41 ASP C C 41 179.637 179.637 177.711 1.926 25508 203 1 1 . 1 1 41 41 ASP CA C 41 57.571 57.571 57.224 0.347 25508 204 1 1 . 1 1 41 41 ASP CB C 41 40.205 40.205 40.778 -0.573 25508 205 1 1 . 1 1 41 41 ASP H H 41 8.119 8.119 7.769 0.350 25508 206 1 1 . 1 1 42 42 TRP N N 42 123.295 123.295 121.359 1.936 25508 207 1 1 . 1 1 42 42 TRP HA H 42 3.992 3.992 4.212 -0.220 25508 208 1 1 . 1 1 42 42 TRP C C 42 176.559 176.559 177.975 -1.416 25508 209 1 1 . 1 1 42 42 TRP CA C 42 58.825 58.825 61.042 -2.217 25508 210 1 1 . 1 1 42 42 TRP CB C 42 30.101 30.101 29.103 0.998 25508 211 1 1 . 1 1 42 42 TRP H H 42 8.015 8.015 7.570 0.445 25508 212 1 1 . 1 1 43 43 LEU N N 43 118.444 118.444 118.064 0.380 25508 213 1 1 . 1 1 43 43 LEU HA H 43 3.073 3.073 3.833 -0.760 25508 214 1 1 . 1 1 43 43 LEU C C 43 180.127 180.127 178.892 1.235 25508 215 1 1 . 1 1 43 43 LEU CA C 43 57.710 57.710 57.099 0.611 25508 216 1 1 . 1 1 43 43 LEU CB C 43 40.675 40.675 41.021 -0.346 25508 217 1 1 . 1 1 43 43 LEU H H 43 8.027 8.027 7.342 0.685 25508 218 1 1 . 1 1 44 44 LYS N N 44 117.577 117.577 119.197 -1.620 25508 219 1 1 . 1 1 44 44 LYS HA H 44 3.871 3.871 3.821 0.050 25508 220 1 1 . 1 1 44 44 LYS C C 44 179.010 179.010 178.814 0.196 25508 221 1 1 . 1 1 44 44 LYS CA C 44 59.496 59.496 60.123 -0.627 25508 222 1 1 . 1 1 44 44 LYS CB C 44 32.301 32.301 32.076 0.225 25508 223 1 1 . 1 1 44 44 LYS H H 44 7.065 7.065 7.305 -0.240 25508 224 1 1 . 1 1 45 45 GLN N N 45 120.755 120.755 117.682 3.073 25508 225 1 1 . 1 1 45 45 GLN HA H 45 3.834 3.834 3.867 -0.033 25508 226 1 1 . 1 1 45 45 GLN C C 45 177.807 177.807 178.101 -0.294 25508 227 1 1 . 1 1 45 45 GLN CA C 45 57.760 57.760 58.605 -0.845 25508 228 1 1 . 1 1 45 45 GLN CB C 45 27.623 27.623 27.933 -0.310 25508 229 1 1 . 1 1 45 45 GLN H H 45 7.033 7.033 7.600 -0.567 25508 230 1 1 . 1 1 46 46 GLN N N 46 120.768 120.768 120.226 0.542 25508 231 1 1 . 1 1 46 46 GLN HA H 46 3.065 3.065 3.664 -0.599 25508 232 1 1 . 1 1 46 46 GLN C C 46 177.167 177.167 178.446 -1.279 25508 233 1 1 . 1 1 46 46 GLN CA C 46 59.136 59.136 59.299 -0.163 25508 234 1 1 . 1 1 46 46 GLN CB C 46 28.416 28.416 28.351 0.065 25508 235 1 1 . 1 1 46 46 GLN H H 46 8.346 8.346 7.558 0.788 25508 236 1 1 . 1 1 47 47 THR N N 47 114.925 114.925 116.635 -1.710 25508 237 1 1 . 1 1 47 47 THR HA H 47 3.690 3.690 3.912 -0.222 25508 238 1 1 . 1 1 47 47 THR C C 47 175.615 175.615 176.522 -0.907 25508 239 1 1 . 1 1 47 47 THR CA C 47 66.804 66.804 66.564 0.240 25508 240 1 1 . 1 1 47 47 THR CB C 47 68.895 68.895 68.690 0.205 25508 241 1 1 . 1 1 47 47 THR H H 47 7.629 7.629 7.589 0.040 25508 242 1 1 . 1 1 48 48 MET N N 48 120.050 120.050 121.104 -1.054 25508 243 1 1 . 1 1 48 48 MET HA H 48 4.117 4.117 4.053 0.064 25508 244 1 1 . 1 1 48 48 MET C C 48 177.928 177.928 178.360 -0.432 25508 245 1 1 . 1 1 48 48 MET CA C 48 59.041 59.041 58.863 0.178 25508 246 1 1 . 1 1 48 48 MET CB C 48 31.985 31.985 31.976 0.010 25508 247 1 1 . 1 1 48 48 MET H H 48 7.077 7.077 7.616 -0.539 25508 248 1 1 . 1 1 49 49 LEU N N 49 120.156 120.156 119.783 0.373 25508 249 1 1 . 1 1 49 49 LEU HA H 49 3.991 3.991 4.161 -0.170 25508 250 1 1 . 1 1 49 49 LEU C C 49 180.284 180.284 179.563 0.721 25508 251 1 1 . 1 1 49 49 LEU CA C 49 58.157 58.157 58.054 0.103 25508 252 1 1 . 1 1 49 49 LEU CB C 49 42.723 42.723 41.246 1.477 25508 253 1 1 . 1 1 49 49 LEU H H 49 7.982 7.982 8.507 -0.525 25508 254 1 1 . 1 1 50 50 ILE N N 50 119.987 119.987 120.058 -0.071 25508 255 1 1 . 1 1 50 50 ILE HA H 50 3.487 3.487 3.482 0.005 25508 256 1 1 . 1 1 50 50 ILE C C 50 178.074 178.074 177.743 0.331 25508 257 1 1 . 1 1 50 50 ILE CA C 50 65.734 65.734 65.584 0.150 25508 258 1 1 . 1 1 50 50 ILE CB C 50 38.622 38.622 37.546 1.076 25508 259 1 1 . 1 1 50 50 ILE H H 50 8.275 8.275 7.853 0.422 25508 260 1 1 . 1 1 51 51 ASN N N 51 117.331 117.331 116.460 0.871 25508 261 1 1 . 1 1 51 51 ASN HA H 51 4.493 4.493 4.475 0.018 25508 262 1 1 . 1 1 51 51 ASN C C 51 178.621 178.621 176.619 2.002 25508 263 1 1 . 1 1 51 51 ASN CA C 51 55.787 55.787 56.001 -0.214 25508 264 1 1 . 1 1 51 51 ASN CB C 51 38.273 38.273 39.197 -0.924 25508 265 1 1 . 1 1 51 51 ASN H H 51 7.902 7.902 8.244 -0.342 25508 266 1 1 . 1 1 52 52 GLU N N 52 120.128 120.128 119.232 0.896 25508 267 1 1 . 1 1 52 52 GLU HA H 52 4.006 4.006 4.167 -0.161 25508 268 1 1 . 1 1 52 52 GLU C C 52 177.628 177.628 177.868 -0.240 25508 269 1 1 . 1 1 52 52 GLU CA C 52 59.034 59.034 58.463 0.571 25508 270 1 1 . 1 1 52 52 GLU CB C 52 29.714 29.714 29.893 -0.179 25508 271 1 1 . 1 1 52 52 GLU H H 52 8.958 8.958 8.072 0.886 25508 272 1 1 . 1 1 53 53 ASN N N 53 112.872 112.872 114.048 -1.176 25508 273 1 1 . 1 1 53 53 ASN HA H 53 4.666 4.666 4.731 -0.065 25508 274 1 1 . 1 1 53 53 ASN C C 53 173.022 173.022 174.371 -1.349 25508 275 1 1 . 1 1 53 53 ASN CA C 53 53.416 53.416 53.407 0.009 25508 276 1 1 . 1 1 53 53 ASN CB C 53 38.938 38.938 40.354 -1.416 25508 277 1 1 . 1 1 53 53 ASN H H 53 7.535 7.535 8.041 -0.506 25508 278 1 1 . 1 1 54 54 ARG N N 54 118.579 118.579 116.092 2.487 25508 279 1 1 . 1 1 54 54 ARG HA H 54 3.975 3.975 4.007 -0.032 25508 280 1 1 . 1 1 54 54 ARG C C 54 176.170 176.170 175.667 0.503 25508 281 1 1 . 1 1 54 54 ARG CA C 54 56.615 56.615 56.469 0.146 25508 282 1 1 . 1 1 54 54 ARG CB C 54 27.180 27.180 26.926 0.254 25508 283 1 1 . 1 1 54 54 ARG H H 54 7.696 7.696 7.691 0.005 25508 284 1 1 . 1 1 55 55 LEU N N 55 116.705 116.705 118.020 -1.315 25508 285 1 1 . 1 1 55 55 LEU HA H 55 4.097 4.097 4.122 -0.025 25508 286 1 1 . 1 1 55 55 LEU C C 55 176.242 176.242 177.535 -1.293 25508 287 1 1 . 1 1 55 55 LEU CA C 55 55.099 55.099 54.547 0.552 25508 288 1 1 . 1 1 55 55 LEU CB C 55 42.694 42.694 42.639 0.055 25508 289 1 1 . 1 1 55 55 LEU H H 55 7.927 7.927 7.546 0.381 25508 290 1 1 . 1 1 56 56 ASN N N 56 120.616 120.616 118.170 2.446 25508 291 1 1 . 1 1 56 56 ASN HA H 56 4.708 4.708 4.890 -0.182 25508 292 1 1 . 1 1 56 56 ASN C C 56 176.058 176.058 175.656 0.402 25508 293 1 1 . 1 1 56 56 ASN CA C 56 51.440 51.440 52.057 -0.617 25508 294 1 1 . 1 1 56 56 ASN CB C 56 38.554 38.554 38.747 -0.193 25508 295 1 1 . 1 1 56 56 ASN H H 56 8.530 8.530 8.487 0.043 25508 296 1 1 . 1 1 57 57 MET N N 57 121.659 121.659 123.068 -1.409 25508 297 1 1 . 1 1 57 57 MET HA H 57 4.341 4.341 4.024 0.317 25508 298 1 1 . 1 1 57 57 MET C C 57 176.694 176.694 177.266 -0.572 25508 299 1 1 . 1 1 57 57 MET CA C 57 55.717 55.717 58.816 -3.099 25508 300 1 1 . 1 1 57 57 MET CB C 57 30.266 30.266 32.492 -2.226 25508 301 1 1 . 1 1 57 57 MET H H 57 8.628 8.628 8.294 0.334 25508 302 1 1 . 1 1 58 58 ALA N N 58 120.515 120.515 119.606 0.909 25508 303 1 1 . 1 1 58 58 ALA HA H 58 4.267 4.267 4.140 0.127 25508 304 1 1 . 1 1 58 58 ALA C C 58 177.625 177.625 177.922 -0.297 25508 305 1 1 . 1 1 58 58 ALA CA C 58 52.643 52.643 53.545 -0.902 25508 306 1 1 . 1 1 58 58 ALA CB C 58 18.667 18.667 18.658 0.009 25508 307 1 1 . 1 1 58 58 ALA H H 58 7.988 7.988 7.939 0.049 25508 308 1 1 . 1 1 59 59 ASP N N 59 121.926 121.926 116.903 5.023 25508 309 1 1 . 1 1 59 59 ASP CA C 59 50.871 50.871 51.889 -1.018 25508 310 1 1 . 1 1 59 59 ASP CB C 59 42.450 42.450 41.770 0.680 25508 311 1 1 . 1 1 59 59 ASP H H 59 8.024 8.024 7.686 0.338 25508 312 1 1 . 1 1 60 60 PRO HA H 60 4.186 4.186 4.376 -0.190 25508 313 1 1 . 1 1 60 60 PRO C C 60 179.232 179.232 178.151 1.081 25508 314 1 1 . 1 1 60 60 PRO CA C 60 65.347 65.347 64.522 0.825 25508 315 1 1 . 1 1 60 60 PRO CB C 60 32.399 32.399 32.314 0.085 25508 316 1 1 . 1 1 61 61 ARG N N 61 117.390 117.390 118.267 -0.877 25508 317 1 1 . 1 1 61 61 ARG HA H 61 4.107 4.107 4.123 -0.016 25508 318 1 1 . 1 1 61 61 ARG C C 61 179.817 179.817 178.180 1.637 25508 319 1 1 . 1 1 61 61 ARG CA C 61 59.098 59.098 58.993 0.105 25508 320 1 1 . 1 1 61 61 ARG CB C 61 29.670 29.670 29.013 0.657 25508 321 1 1 . 1 1 61 61 ARG H H 61 8.597 8.597 8.635 -0.038 25508 322 1 1 . 1 1 62 62 ALA N N 62 124.172 124.172 120.187 3.985 25508 323 1 1 . 1 1 62 62 ALA HA H 62 4.201 4.201 4.291 -0.090 25508 324 1 1 . 1 1 62 62 ALA C C 62 179.726 179.726 179.485 0.241 25508 325 1 1 . 1 1 62 62 ALA CA C 62 55.011 55.011 54.344 0.667 25508 326 1 1 . 1 1 62 62 ALA CB C 62 19.251 19.251 18.666 0.585 25508 327 1 1 . 1 1 62 62 ALA H H 62 7.597 7.597 7.716 -0.119 25508 328 1 1 . 1 1 63 63 ARG N N 63 116.483 116.483 118.479 -1.996 25508 329 1 1 . 1 1 63 63 ARG HA H 63 3.985 3.985 4.251 -0.266 25508 330 1 1 . 1 1 63 63 ARG C C 63 179.234 179.234 178.606 0.628 25508 331 1 1 . 1 1 63 63 ARG CA C 63 60.029 60.029 58.529 1.500 25508 332 1 1 . 1 1 63 63 ARG CB C 63 29.806 29.806 30.399 -0.593 25508 333 1 1 . 1 1 63 63 ARG H H 63 7.640 7.640 7.742 -0.102 25508 334 1 1 . 1 1 64 64 GLN N N 64 119.143 119.143 119.714 -0.571 25508 335 1 1 . 1 1 64 64 GLN HA H 64 4.095 4.095 4.163 -0.068 25508 336 1 1 . 1 1 64 64 GLN C C 64 178.261 178.261 177.670 0.591 25508 337 1 1 . 1 1 64 64 GLN CA C 64 59.183 59.183 58.707 0.476 25508 338 1 1 . 1 1 64 64 GLN CB C 64 28.266 28.266 29.031 -0.765 25508 339 1 1 . 1 1 64 64 GLN H H 64 8.114 8.114 8.581 -0.467 25508 340 1 1 . 1 1 65 65 TYR N N 65 121.413 121.413 119.087 2.326 25508 341 1 1 . 1 1 65 65 TYR HA H 65 4.321 4.321 4.316 0.005 25508 342 1 1 . 1 1 65 65 TYR C C 65 180.478 180.478 177.702 2.776 25508 343 1 1 . 1 1 65 65 TYR CA C 65 61.407 61.407 60.950 0.457 25508 344 1 1 . 1 1 65 65 TYR CB C 65 37.831 37.831 38.663 -0.832 25508 345 1 1 . 1 1 65 65 TYR H H 65 7.929 7.929 7.682 0.247 25508 346 1 1 . 1 1 66 66 LEU N N 66 119.499 119.499 119.923 -0.424 25508 347 1 1 . 1 1 66 66 LEU HA H 66 3.870 3.870 3.889 -0.019 25508 348 1 1 . 1 1 66 66 LEU C C 66 180.847 180.847 178.956 1.891 25508 349 1 1 . 1 1 66 66 LEU CA C 66 57.959 57.959 57.025 0.934 25508 350 1 1 . 1 1 66 66 LEU CB C 66 41.522 41.522 42.006 -0.484 25508 351 1 1 . 1 1 66 66 LEU H H 66 8.328 8.328 7.696 0.632 25508 352 1 1 . 1 1 67 67 MET N N 67 122.316 122.316 117.803 4.513 25508 353 1 1 . 1 1 67 67 MET HA H 67 4.100 4.100 4.272 -0.172 25508 354 1 1 . 1 1 67 67 MET C C 67 178.402 178.402 177.680 0.722 25508 355 1 1 . 1 1 67 67 MET CA C 67 59.693 59.693 58.996 0.697 25508 356 1 1 . 1 1 67 67 MET CB C 67 32.202 32.202 32.338 -0.136 25508 357 1 1 . 1 1 67 67 MET H H 67 8.480 8.480 7.688 0.792 25508 358 1 1 . 1 1 68 68 LYS N N 68 120.460 120.460 116.907 3.553 25508 359 1 1 . 1 1 68 68 LYS HA H 68 4.160 4.160 4.188 -0.028 25508 360 1 1 . 1 1 68 68 LYS C C 68 179.963 179.963 178.895 1.068 25508 361 1 1 . 1 1 68 68 LYS CA C 68 58.857 58.857 58.399 0.458 25508 362 1 1 . 1 1 68 68 LYS CB C 68 31.276 31.276 31.940 -0.664 25508 363 1 1 . 1 1 68 68 LYS H H 68 8.024 8.024 7.571 0.453 25508 364 1 1 . 1 1 69 69 GLN N N 69 117.834 117.834 117.102 0.732 25508 365 1 1 . 1 1 69 69 GLN HA H 69 3.858 3.858 4.363 -0.505 25508 366 1 1 . 1 1 69 69 GLN C C 69 178.013 178.013 177.578 0.435 25508 367 1 1 . 1 1 69 69 GLN CA C 69 58.097 58.097 57.340 0.757 25508 368 1 1 . 1 1 69 69 GLN CB C 69 27.601 27.601 28.492 -0.891 25508 369 1 1 . 1 1 69 69 GLN H H 69 8.281 8.281 8.087 0.194 25508 370 1 1 . 1 1 70 70 THR N N 70 119.066 119.066 115.469 3.597 25508 371 1 1 . 1 1 70 70 THR HA H 70 2.666 2.666 4.367 -1.701 25508 372 1 1 . 1 1 70 70 THR C C 70 175.189 175.189 175.505 -0.316 25508 373 1 1 . 1 1 70 70 THR CA C 70 66.732 66.732 65.933 0.799 25508 374 1 1 . 1 1 70 70 THR CB C 70 68.451 68.451 68.938 -0.487 25508 375 1 1 . 1 1 70 70 THR H H 70 8.245 8.245 7.791 0.454 25508 376 1 1 . 1 1 71 71 GLU N N 71 121.112 121.112 121.792 -0.680 25508 377 1 1 . 1 1 71 71 GLU HA H 71 3.873 3.873 4.197 -0.324 25508 378 1 1 . 1 1 71 71 GLU C C 71 177.903 177.903 177.865 0.038 25508 379 1 1 . 1 1 71 71 GLU CA C 71 60.325 60.325 58.905 1.420 25508 380 1 1 . 1 1 71 71 GLU CB C 71 30.065 30.065 29.772 0.293 25508 381 1 1 . 1 1 71 71 GLU H H 71 7.872 7.872 7.968 -0.096 25508 382 1 1 . 1 1 72 72 LYS N N 72 118.112 118.112 118.766 -0.654 25508 383 1 1 . 1 1 72 72 LYS HA H 72 3.853 3.853 4.068 -0.215 25508 384 1 1 . 1 1 72 72 LYS C C 72 178.447 178.447 178.750 -0.303 25508 385 1 1 . 1 1 72 72 LYS CA C 72 59.199 59.199 58.829 0.370 25508 386 1 1 . 1 1 72 72 LYS CB C 72 32.705 32.705 31.987 0.718 25508 387 1 1 . 1 1 72 72 LYS H H 72 7.932 7.932 7.627 0.305 25508 388 1 1 . 1 1 73 73 TYR N N 73 119.703 119.703 120.298 -0.595 25508 389 1 1 . 1 1 73 73 TYR HA H 73 3.704 3.704 4.277 -0.573 25508 390 1 1 . 1 1 73 73 TYR C C 73 176.953 176.953 177.163 -0.210 25508 391 1 1 . 1 1 73 73 TYR CA C 73 61.540 61.540 60.420 1.120 25508 392 1 1 . 1 1 73 73 TYR CB C 73 38.266 38.266 38.280 -0.014 25508 393 1 1 . 1 1 73 73 TYR H H 73 7.800 7.800 7.711 0.089 25508 394 1 1 . 1 1 74 74 PHE N N 74 111.749 111.749 118.020 -6.271 25508 395 1 1 . 1 1 74 74 PHE HA H 74 3.886 3.886 4.044 -0.158 25508 396 1 1 . 1 1 74 74 PHE C C 74 176.300 176.300 177.597 -1.297 25508 397 1 1 . 1 1 74 74 PHE CA C 74 61.784 61.784 59.957 1.827 25508 398 1 1 . 1 1 74 74 PHE CB C 74 39.690 39.690 39.551 0.139 25508 399 1 1 . 1 1 74 74 PHE H H 74 7.139 7.139 7.473 -0.334 25508 400 1 1 . 1 1 75 75 PHE N N 75 114.845 114.845 118.342 -3.497 25508 401 1 1 . 1 1 75 75 PHE HA H 75 5.009 5.009 4.173 0.836 25508 402 1 1 . 1 1 75 75 PHE C C 75 176.448 176.448 176.558 -0.110 25508 403 1 1 . 1 1 75 75 PHE CA C 75 56.575 56.575 58.343 -1.768 25508 404 1 1 . 1 1 75 75 PHE CB C 75 40.353 40.353 37.828 2.525 25508 405 1 1 . 1 1 75 75 PHE H H 75 8.275 8.275 7.464 0.811 25508 406 1 1 . 1 1 76 76 GLY N N 76 109.977 109.977 108.322 1.655 25508 407 1 1 . 1 1 76 76 GLY C C 76 173.602 173.602 174.479 -0.877 25508 408 1 1 . 1 1 76 76 GLY CA C 76 45.375 45.375 45.478 -0.103 25508 409 1 1 . 1 1 76 76 GLY H H 76 7.836 7.836 7.659 0.177 25508 410 1 1 . 1 1 77 77 GLU N N 77 120.068 120.068 122.233 -2.165 25508 411 1 1 . 1 1 77 77 GLU HA H 77 4.259 4.259 3.920 0.339 25508 412 1 1 . 1 1 77 77 GLU C C 77 176.925 176.925 177.677 -0.752 25508 413 1 1 . 1 1 77 77 GLU CA C 77 56.647 56.647 57.539 -0.892 25508 414 1 1 . 1 1 77 77 GLU CB C 77 30.694 30.694 29.755 0.939 25508 415 1 1 . 1 1 77 77 GLU H H 77 8.445 8.445 8.388 0.057 25508 416 1 1 . 1 1 78 78 GLY N N 78 110.135 110.135 110.399 -0.264 25508 417 1 1 . 1 1 78 78 GLY C C 78 174.241 174.241 172.965 1.276 25508 418 1 1 . 1 1 78 78 GLY CA C 78 45.368 45.368 44.901 0.467 25508 419 1 1 . 1 1 78 78 GLY H H 78 8.457 8.457 7.758 0.699 25508 420 1 1 . 1 1 79 79 ALA N N 79 123.773 123.773 126.259 -2.486 25508 421 1 1 . 1 1 79 79 ALA HA H 79 4.208 4.208 4.645 -0.437 25508 422 1 1 . 1 1 79 79 ALA C C 79 177.657 177.657 175.221 2.436 25508 423 1 1 . 1 1 79 79 ALA CA C 79 52.782 52.782 51.693 1.089 25508 424 1 1 . 1 1 79 79 ALA CB C 79 19.145 19.145 21.186 -2.041 25508 425 1 1 . 1 1 79 79 ALA H H 79 8.195 8.195 7.929 0.266 25508 426 1 1 . 1 1 80 80 ASP N N 80 118.833 118.833 121.468 -2.635 25508 427 1 1 . 1 1 80 80 ASP HA H 80 4.473 4.473 4.837 -0.364 25508 428 1 1 . 1 1 80 80 ASP C C 80 176.374 176.374 174.358 2.016 25508 429 1 1 . 1 1 80 80 ASP CA C 80 54.383 54.383 53.490 0.893 25508 430 1 1 . 1 1 80 80 ASP CB C 80 40.940 40.940 43.169 -2.229 25508 431 1 1 . 1 1 80 80 ASP H H 80 8.347 8.347 8.374 -0.027 25508 432 1 1 . 1 1 81 81 GLN N N 81 120.376 120.376 118.791 1.585 25508 433 1 1 . 1 1 81 81 GLN HA H 81 4.225 4.225 4.566 -0.341 25508 434 1 1 . 1 1 81 81 GLN C C 81 176.029 176.029 173.966 2.063 25508 435 1 1 . 1 1 81 81 GLN CA C 81 55.969 55.969 54.494 1.475 25508 436 1 1 . 1 1 81 81 GLN CB C 81 29.242 29.242 30.831 -1.589 25508 437 1 1 . 1 1 81 81 GLN H H 81 8.188 8.188 8.390 -0.202 25508 438 1 1 . 1 1 82 82 ALA N N 82 124.734 124.734 124.802 -0.068 25508 439 1 1 . 1 1 82 82 ALA HA H 82 4.271 4.271 4.879 -0.608 25508 440 1 1 . 1 1 82 82 ALA C C 82 178.011 178.011 177.006 1.005 25508 441 1 1 . 1 1 82 82 ALA CA C 82 52.680 52.680 51.457 1.223 25508 442 1 1 . 1 1 82 82 ALA CB C 82 19.023 19.023 18.404 0.619 25508 443 1 1 . 1 1 82 82 ALA H H 82 8.307 8.307 8.592 -0.285 25508 444 1 1 . 1 1 83 83 SER N N 83 114.999 114.999 117.830 -2.831 25508 445 1 1 . 1 1 83 83 SER HA H 83 4.368 4.368 4.521 -0.153 25508 446 1 1 . 1 1 83 83 SER C C 83 175.141 175.141 173.125 2.016 25508 447 1 1 . 1 1 83 83 SER CA C 83 58.843 58.843 58.071 0.772 25508 448 1 1 . 1 1 83 83 SER CB C 83 63.849 63.849 63.854 -0.005 25508 449 1 1 . 1 1 83 83 SER H H 83 8.269 8.269 8.653 -0.384 25508 450 1 1 . 1 1 84 84 GLY N N 84 110.722 110.722 108.784 1.938 25508 451 1 1 . 1 1 84 84 GLY C C 84 173.457 173.457 172.342 1.115 25508 452 1 1 . 1 1 84 84 GLY CA C 84 45.168 45.168 44.608 0.560 25508 453 1 1 . 1 1 84 84 GLY H H 84 8.324 8.324 8.109 0.215 25508 454 1 1 . 1 1 85 85 TYR N N 85 121.054 121.054 119.527 1.527 25508 455 1 1 . 1 1 85 85 TYR HA H 85 4.395 4.395 4.749 -0.354 25508 456 1 1 . 1 1 85 85 TYR C C 85 174.866 174.866 175.029 -0.163 25508 457 1 1 . 1 1 85 85 TYR CA C 85 58.433 58.433 57.252 1.181 25508 458 1 1 . 1 1 85 85 TYR CB C 85 38.856 38.856 40.742 -1.886 25508 459 1 1 . 1 1 85 85 TYR H H 85 7.982 7.982 8.137 -0.155 25508 460 1 1 . 1 1 86 86 VAL N N 86 127.973 127.973 123.912 4.061 25508 461 1 1 . 1 1 86 86 VAL CA C 86 58.815 58.815 58.914 -0.099 25508 462 1 1 . 1 1 86 86 VAL CB C 86 33.360 33.360 32.929 0.430 25508 463 1 1 . 1 1 86 86 VAL H H 86 7.734 7.734 8.593 -0.859 25508 464 1 1 . 1 1 88 88 PRO HA H 88 4.320 4.320 4.416 -0.096 25508 465 1 1 . 1 1 88 88 PRO C C 88 176.654 176.654 176.147 0.507 25508 466 1 1 . 1 1 88 88 PRO CA C 88 62.735 62.735 62.879 -0.144 25508 467 1 1 . 1 1 88 88 PRO CB C 88 32.007 32.007 32.228 -0.221 25508 468 1 1 . 1 1 89 89 ALA N N 89 124.497 124.497 120.223 4.274 25508 469 1 1 . 1 1 89 89 ALA HA H 89 4.213 4.213 4.581 -0.368 25508 470 1 1 . 1 1 89 89 ALA C C 89 177.739 177.739 176.140 1.599 25508 471 1 1 . 1 1 89 89 ALA CA C 89 52.564 52.564 51.843 0.721 25508 472 1 1 . 1 1 89 89 ALA CB C 89 19.103 19.103 20.487 -1.384 25508 473 1 1 . 1 1 89 89 ALA H H 89 8.332 8.332 8.003 0.329 25508 474 1 1 . 1 1 90 90 GLN N N 90 119.712 119.712 118.714 0.998 25508 475 1 1 . 1 1 90 90 GLN HA H 90 4.301 4.301 4.928 -0.627 25508 476 1 1 . 1 1 90 90 GLN C C 90 175.302 175.302 176.300 -0.998 25508 477 1 1 . 1 1 90 90 GLN CA C 90 55.717 55.717 56.160 -0.443 25508 478 1 1 . 1 1 90 90 GLN CB C 90 29.764 29.764 30.635 -0.871 25508 479 1 1 . 1 1 90 90 GLN H H 90 8.338 8.338 10.150 -1.812 25508 480 1 2 . 1 1 2 2 ALA N N 2 125.581 125.581 128.454 -2.873 25508 481 1 2 . 1 1 2 2 ALA HA H 2 4.204 4.204 4.213 -0.009 25508 482 1 2 . 1 1 2 2 ALA C C 2 176.764 176.764 177.379 -0.615 25508 483 1 2 . 1 1 2 2 ALA CA C 2 52.280 52.280 53.474 -1.194 25508 484 1 2 . 1 1 2 2 ALA CB C 2 19.494 19.494 19.527 -0.033 25508 485 1 2 . 1 1 2 2 ALA H H 2 8.203 8.203 8.630 -0.427 25508 486 1 2 . 1 1 3 3 ARG N N 3 123.058 123.058 115.972 7.086 25508 487 1 2 . 1 1 3 3 ARG HA H 3 4.247 4.247 4.575 -0.328 25508 488 1 2 . 1 1 3 3 ARG C C 3 174.914 174.914 174.490 0.424 25508 489 1 2 . 1 1 3 3 ARG CA C 3 55.678 55.678 54.982 0.696 25508 490 1 2 . 1 1 3 3 ARG CB C 3 31.276 31.276 33.262 -1.986 25508 491 1 2 . 1 1 3 3 ARG H H 3 8.649 8.649 8.197 0.452 25508 492 1 2 . 1 1 4 4 MET N N 4 125.010 125.010 118.088 6.922 25508 493 1 2 . 1 1 4 4 MET HA H 4 4.966 4.966 4.910 0.056 25508 494 1 2 . 1 1 4 4 MET C C 4 176.144 176.144 174.808 1.336 25508 495 1 2 . 1 1 4 4 MET CA C 4 53.311 53.311 54.624 -1.313 25508 496 1 2 . 1 1 4 4 MET CB C 4 32.120 32.120 33.734 -1.614 25508 497 1 2 . 1 1 4 4 MET H H 4 8.427 8.427 8.384 0.043 25508 498 1 2 . 1 1 5 5 ILE N N 5 117.850 117.850 117.542 0.308 25508 499 1 2 . 1 1 5 5 ILE HA H 5 4.623 4.623 4.618 0.005 25508 500 1 2 . 1 1 5 5 ILE C C 5 174.207 174.207 173.591 0.616 25508 501 1 2 . 1 1 5 5 ILE CA C 5 58.353 58.353 59.062 -0.709 25508 502 1 2 . 1 1 5 5 ILE CB C 5 42.910 42.910 42.076 0.834 25508 503 1 2 . 1 1 5 5 ILE H H 5 8.860 8.860 8.781 0.079 25508 504 1 2 . 1 1 6 6 HIS N N 6 120.378 120.378 118.955 1.423 25508 505 1 2 . 1 1 6 6 HIS HA H 6 4.301 4.301 5.057 -0.756 25508 506 1 2 . 1 1 6 6 HIS C C 6 173.087 173.087 175.262 -2.175 25508 507 1 2 . 1 1 6 6 HIS CA C 6 56.131 56.131 53.999 2.132 25508 508 1 2 . 1 1 6 6 HIS CB C 6 28.508 28.508 28.234 0.274 25508 509 1 2 . 1 1 6 6 HIS H H 6 8.506 8.506 8.112 0.394 25508 510 1 2 . 1 1 7 7 CYS N N 7 131.021 131.021 121.562 9.459 25508 511 1 2 . 1 1 7 7 CYS HA H 7 4.154 4.154 4.121 0.033 25508 512 1 2 . 1 1 7 7 CYS C C 7 177.621 177.621 175.899 1.722 25508 513 1 2 . 1 1 7 7 CYS CA C 7 61.346 61.346 58.673 2.673 25508 514 1 2 . 1 1 7 7 CYS CB C 7 31.004 31.004 27.035 3.969 25508 515 1 2 . 1 1 7 7 CYS H H 7 7.873 7.873 7.899 -0.026 25508 516 1 2 . 1 1 8 8 ALA N N 8 133.325 133.325 128.453 4.872 25508 517 1 2 . 1 1 8 8 ALA HA H 8 4.229 4.229 3.888 0.341 25508 518 1 2 . 1 1 8 8 ALA C C 8 178.608 178.608 177.606 1.002 25508 519 1 2 . 1 1 8 8 ALA CA C 8 54.478 54.478 53.735 0.743 25508 520 1 2 . 1 1 8 8 ALA CB C 8 19.264 19.264 17.379 1.885 25508 521 1 2 . 1 1 8 8 ALA H H 8 9.543 9.543 7.858 1.685 25508 522 1 2 . 1 1 9 9 LYS N N 9 122.128 122.128 116.226 5.902 25508 523 1 2 . 1 1 9 9 LYS CA C 9 56.353 56.353 57.647 -1.294 25508 524 1 2 . 1 1 9 9 LYS CB C 9 33.619 33.619 32.331 1.288 25508 525 1 2 . 1 1 9 9 LYS H H 9 9.739 9.739 8.193 1.546 25508 526 1 2 . 1 1 10 10 LEU HA H 10 4.194 4.194 4.530 -0.336 25508 527 1 2 . 1 1 10 10 LEU C C 10 178.870 178.870 177.508 1.362 25508 528 1 2 . 1 1 10 10 LEU CA C 10 55.934 55.934 54.856 1.078 25508 529 1 2 . 1 1 10 10 LEU CB C 10 42.693 42.693 44.281 -1.588 25508 530 1 2 . 1 1 11 11 GLY N N 11 107.385 107.385 106.198 1.187 25508 531 1 2 . 1 1 11 11 GLY C C 11 173.268 173.268 173.578 -0.310 25508 532 1 2 . 1 1 11 11 GLY CA C 11 46.756 46.756 44.914 1.842 25508 533 1 2 . 1 1 11 11 GLY H H 11 8.258 8.258 8.359 -0.101 25508 534 1 2 . 1 1 12 12 LYS N N 12 112.456 112.456 119.053 -6.597 25508 535 1 2 . 1 1 12 12 LYS HA H 12 4.547 4.547 4.639 -0.092 25508 536 1 2 . 1 1 12 12 LYS C C 12 173.822 173.822 174.592 -0.770 25508 537 1 2 . 1 1 12 12 LYS CA C 12 53.523 53.523 54.018 -0.495 25508 538 1 2 . 1 1 12 12 LYS CB C 12 35.156 35.156 35.500 -0.344 25508 539 1 2 . 1 1 12 12 LYS H H 12 6.772 6.772 7.651 -0.879 25508 540 1 2 . 1 1 13 13 GLU N N 13 121.058 121.058 119.776 1.282 25508 541 1 2 . 1 1 13 13 GLU HA H 13 4.874 4.874 4.643 0.231 25508 542 1 2 . 1 1 13 13 GLU C C 13 176.290 176.290 175.491 0.799 25508 543 1 2 . 1 1 13 13 GLU CA C 13 56.291 56.291 55.880 0.411 25508 544 1 2 . 1 1 13 13 GLU CB C 13 29.827 29.827 30.486 -0.659 25508 545 1 2 . 1 1 13 13 GLU H H 13 8.402 8.402 8.603 -0.201 25508 546 1 2 . 1 1 14 14 ALA N N 14 127.978 127.978 127.857 0.121 25508 547 1 2 . 1 1 14 14 ALA HA H 14 4.514 4.514 4.674 -0.160 25508 548 1 2 . 1 1 14 14 ALA C C 14 175.156 175.156 175.536 -0.380 25508 549 1 2 . 1 1 14 14 ALA CA C 14 51.437 51.437 50.481 0.956 25508 550 1 2 . 1 1 14 14 ALA CB C 14 23.586 23.586 22.221 1.365 25508 551 1 2 . 1 1 14 14 ALA H H 14 9.330 9.330 8.562 0.768 25508 552 1 2 . 1 1 15 15 GLU N N 15 120.272 120.272 118.485 1.787 25508 553 1 2 . 1 1 15 15 GLU HA H 15 4.573 4.573 4.792 -0.219 25508 554 1 2 . 1 1 15 15 GLU C C 15 178.292 178.292 176.785 1.507 25508 555 1 2 . 1 1 15 15 GLU CA C 15 57.645 57.645 55.167 2.478 25508 556 1 2 . 1 1 15 15 GLU CB C 15 30.016 30.016 30.665 -0.649 25508 557 1 2 . 1 1 15 15 GLU H H 15 8.560 8.560 8.539 0.021 25508 558 1 2 . 1 1 16 16 GLY N N 16 113.246 113.246 110.300 2.946 25508 559 1 2 . 1 1 16 16 GLY C C 16 172.877 172.877 174.594 -1.717 25508 560 1 2 . 1 1 16 16 GLY CA C 16 44.636 44.636 44.448 0.188 25508 561 1 2 . 1 1 16 16 GLY H H 16 9.236 9.236 8.598 0.638 25508 562 1 2 . 1 1 17 17 LEU N N 17 120.058 120.058 122.554 -2.496 25508 563 1 2 . 1 1 17 17 LEU HA H 17 3.960 3.960 4.174 -0.214 25508 564 1 2 . 1 1 17 17 LEU C C 17 177.457 177.457 177.681 -0.224 25508 565 1 2 . 1 1 17 17 LEU CA C 17 55.375 55.375 56.395 -1.020 25508 566 1 2 . 1 1 17 17 LEU CB C 17 43.355 43.355 42.380 0.975 25508 567 1 2 . 1 1 17 17 LEU H H 17 9.482 9.482 8.623 0.859 25508 568 1 2 . 1 1 18 18 ASP N N 18 118.600 118.600 117.138 1.462 25508 569 1 2 . 1 1 18 18 ASP HA H 18 4.531 4.531 4.261 0.270 25508 570 1 2 . 1 1 18 18 ASP C C 18 175.929 175.929 174.582 1.347 25508 571 1 2 . 1 1 18 18 ASP CA C 18 56.544 56.544 55.517 1.027 25508 572 1 2 . 1 1 18 18 ASP CB C 18 41.655 41.655 39.739 1.916 25508 573 1 2 . 1 1 18 18 ASP H H 18 8.848 8.848 8.510 0.338 25508 574 1 2 . 1 1 19 19 PHE N N 19 113.195 113.195 116.491 -3.296 25508 575 1 2 . 1 1 19 19 PHE CA C 19 55.070 55.070 54.600 0.470 25508 576 1 2 . 1 1 19 19 PHE CB C 19 38.588 38.588 41.366 -2.778 25508 577 1 2 . 1 1 19 19 PHE H H 19 7.108 7.108 7.381 -0.273 25508 578 1 2 . 1 1 21 21 PRO HA H 21 4.357 4.357 4.668 -0.311 25508 579 1 2 . 1 1 21 21 PRO C C 21 174.627 174.627 176.695 -2.068 25508 580 1 2 . 1 1 21 21 PRO CA C 21 63.914 63.914 64.548 -0.634 25508 581 1 2 . 1 1 21 21 PRO CB C 21 31.431 31.431 32.472 -1.041 25508 582 1 2 . 1 1 22 22 LEU N N 22 117.643 117.643 118.887 -1.244 25508 583 1 2 . 1 1 22 22 LEU CA C 22 51.462 51.462 51.834 -0.372 25508 584 1 2 . 1 1 22 22 LEU CB C 22 46.011 46.011 42.925 3.086 25508 585 1 2 . 1 1 22 22 LEU H H 22 6.788 6.788 7.717 -0.929 25508 586 1 2 . 1 1 24 24 GLY N N 24 105.443 105.443 111.886 -6.443 25508 587 1 2 . 1 1 24 24 GLY C C 24 175.297 175.297 174.908 0.389 25508 588 1 2 . 1 1 24 24 GLY CA C 24 45.381 45.381 44.524 0.857 25508 589 1 2 . 1 1 24 24 GLY H H 24 8.367 8.367 7.795 0.572 25508 590 1 2 . 1 1 25 25 GLU N N 25 122.031 122.031 120.161 1.870 25508 591 1 2 . 1 1 25 25 GLU HA H 25 3.887 3.887 4.204 -0.317 25508 592 1 2 . 1 1 25 25 GLU C C 25 179.015 179.015 178.272 0.743 25508 593 1 2 . 1 1 25 25 GLU CA C 25 59.283 59.283 58.203 1.079 25508 594 1 2 . 1 1 25 25 GLU CB C 25 29.176 29.176 29.752 -0.576 25508 595 1 2 . 1 1 25 25 GLU H H 25 8.737 8.737 8.672 0.065 25508 596 1 2 . 1 1 26 26 LEU N N 26 120.531 120.531 120.686 -0.155 25508 597 1 2 . 1 1 26 26 LEU HA H 26 4.104 4.104 4.025 0.079 25508 598 1 2 . 1 1 26 26 LEU C C 26 178.836 178.836 178.510 0.326 25508 599 1 2 . 1 1 26 26 LEU CA C 26 57.981 57.981 58.113 -0.132 25508 600 1 2 . 1 1 26 26 LEU CB C 26 40.939 40.939 41.427 -0.488 25508 601 1 2 . 1 1 26 26 LEU H H 26 8.852 8.852 8.038 0.814 25508 602 1 2 . 1 1 27 27 GLY N N 27 102.599 102.599 105.342 -2.743 25508 603 1 2 . 1 1 27 27 GLY C C 27 175.874 175.874 176.075 -0.201 25508 604 1 2 . 1 1 27 27 GLY CA C 27 48.024 48.024 47.334 0.689 25508 605 1 2 . 1 1 27 27 GLY H H 27 6.894 6.894 8.689 -1.795 25508 606 1 2 . 1 1 28 28 LYS N N 28 122.738 122.738 120.531 2.207 25508 607 1 2 . 1 1 28 28 LYS HA H 28 3.914 3.914 4.372 -0.458 25508 608 1 2 . 1 1 28 28 LYS C C 28 177.965 177.965 179.072 -1.107 25508 609 1 2 . 1 1 28 28 LYS CA C 28 59.844 59.844 59.495 0.350 25508 610 1 2 . 1 1 28 28 LYS CB C 28 32.169 32.169 32.357 -0.188 25508 611 1 2 . 1 1 28 28 LYS H H 28 7.449 7.449 7.721 -0.272 25508 612 1 2 . 1 1 29 29 ARG N N 29 119.988 119.988 116.154 3.834 25508 613 1 2 . 1 1 29 29 ARG HA H 29 3.998 3.998 4.322 -0.324 25508 614 1 2 . 1 1 29 29 ARG CA C 29 59.876 59.876 57.399 2.477 25508 615 1 2 . 1 1 29 29 ARG CB C 29 30.829 30.829 30.461 0.368 25508 616 1 2 . 1 1 29 29 ARG H H 29 8.194 8.194 7.647 0.547 25508 617 1 2 . 1 1 30 30 LEU N N 30 119.547 119.547 119.631 -0.084 25508 618 1 2 . 1 1 30 30 LEU HA H 30 3.849 3.849 4.220 -0.371 25508 619 1 2 . 1 1 30 30 LEU C C 30 177.351 177.351 178.722 -1.371 25508 620 1 2 . 1 1 30 30 LEU CA C 30 58.068 58.068 57.599 0.469 25508 621 1 2 . 1 1 30 30 LEU CB C 30 41.547 41.547 42.629 -1.082 25508 622 1 2 . 1 1 30 30 LEU H H 30 8.333 8.333 7.843 0.490 25508 623 1 2 . 1 1 31 31 TYR N N 31 118.033 118.033 116.929 1.104 25508 624 1 2 . 1 1 31 31 TYR HA H 31 3.895 3.895 4.451 -0.556 25508 625 1 2 . 1 1 31 31 TYR C C 31 178.434 178.434 176.569 1.865 25508 626 1 2 . 1 1 31 31 TYR CA C 31 61.391 61.391 58.994 2.397 25508 627 1 2 . 1 1 31 31 TYR CB C 31 39.083 39.083 38.449 0.634 25508 628 1 2 . 1 1 31 31 TYR H H 31 8.106 8.106 8.320 -0.214 25508 629 1 2 . 1 1 32 32 GLU N N 32 117.126 117.126 117.280 -0.154 25508 630 1 2 . 1 1 32 32 GLU HA H 32 3.926 3.926 3.870 0.056 25508 631 1 2 . 1 1 32 32 GLU C C 32 178.370 178.370 176.693 1.677 25508 632 1 2 . 1 1 32 32 GLU CA C 32 58.603 58.603 57.005 1.598 25508 633 1 2 . 1 1 32 32 GLU CB C 32 30.580 30.580 28.660 1.919 25508 634 1 2 . 1 1 32 32 GLU H H 32 8.260 8.260 7.514 0.746 25508 635 1 2 . 1 1 33 33 SER N N 33 108.887 108.887 113.484 -4.597 25508 636 1 2 . 1 1 33 33 SER HA H 33 4.910 4.910 4.550 0.360 25508 637 1 2 . 1 1 33 33 SER C C 33 171.776 171.776 173.412 -1.636 25508 638 1 2 . 1 1 33 33 SER CA C 33 60.399 60.399 59.257 1.142 25508 639 1 2 . 1 1 33 33 SER CB C 33 67.057 67.057 66.214 0.843 25508 640 1 2 . 1 1 33 33 SER H H 33 7.553 7.553 7.196 0.357 25508 641 1 2 . 1 1 34 34 VAL N N 34 120.097 120.097 122.032 -1.935 25508 642 1 2 . 1 1 34 34 VAL CA C 34 61.287 61.287 61.207 0.080 25508 643 1 2 . 1 1 34 34 VAL CB C 34 34.048 34.048 31.965 2.083 25508 644 1 2 . 1 1 34 34 VAL H H 34 8.396 8.396 7.978 0.418 25508 645 1 2 . 1 1 35 35 SER HA H 35 4.107 4.107 4.853 -0.746 25508 646 1 2 . 1 1 35 35 SER C C 35 174.321 174.321 175.316 -0.995 25508 647 1 2 . 1 1 35 35 SER CA C 35 58.771 58.771 56.875 1.896 25508 648 1 2 . 1 1 35 35 SER CB C 35 66.899 66.899 65.413 1.486 25508 649 1 2 . 1 1 36 36 LYS N N 36 119.115 119.115 121.406 -2.291 25508 650 1 2 . 1 1 36 36 LYS HA H 36 4.016 4.016 4.036 -0.020 25508 651 1 2 . 1 1 36 36 LYS C C 36 179.407 179.407 178.650 0.757 25508 652 1 2 . 1 1 36 36 LYS CA C 36 60.728 60.728 59.847 0.881 25508 653 1 2 . 1 1 36 36 LYS CB C 36 32.746 32.746 32.530 0.216 25508 654 1 2 . 1 1 36 36 LYS H H 36 8.562 8.562 8.183 0.379 25508 655 1 2 . 1 1 37 37 GLN N N 37 118.142 118.142 118.693 -0.551 25508 656 1 2 . 1 1 37 37 GLN HA H 37 3.970 3.970 4.175 -0.205 25508 657 1 2 . 1 1 37 37 GLN C C 37 177.580 177.580 177.913 -0.333 25508 658 1 2 . 1 1 37 37 GLN CA C 37 59.134 59.134 58.585 0.549 25508 659 1 2 . 1 1 37 37 GLN CB C 37 28.534 28.534 27.955 0.579 25508 660 1 2 . 1 1 37 37 GLN H H 37 8.958 8.958 8.411 0.547 25508 661 1 2 . 1 1 38 38 ALA N N 38 121.173 121.173 120.679 0.494 25508 662 1 2 . 1 1 38 38 ALA HA H 38 4.409 4.409 4.234 0.175 25508 663 1 2 . 1 1 38 38 ALA C C 38 181.081 181.081 178.339 2.742 25508 664 1 2 . 1 1 38 38 ALA CA C 38 55.065 55.065 53.355 1.710 25508 665 1 2 . 1 1 38 38 ALA CB C 38 19.574 19.574 18.109 1.465 25508 666 1 2 . 1 1 38 38 ALA H H 38 8.233 8.233 8.177 0.056 25508 667 1 2 . 1 1 39 39 TRP N N 39 121.046 121.046 120.439 0.607 25508 668 1 2 . 1 1 39 39 TRP HA H 39 4.898 4.898 4.322 0.576 25508 669 1 2 . 1 1 39 39 TRP C C 39 176.886 176.886 177.316 -0.430 25508 670 1 2 . 1 1 39 39 TRP CA C 39 60.403 60.403 60.562 -0.159 25508 671 1 2 . 1 1 39 39 TRP CB C 39 30.640 30.640 29.618 1.022 25508 672 1 2 . 1 1 39 39 TRP H H 39 8.891 8.891 7.976 0.915 25508 673 1 2 . 1 1 40 40 GLN N N 40 117.010 117.010 116.499 0.511 25508 674 1 2 . 1 1 40 40 GLN HA H 40 3.715 3.715 3.989 -0.274 25508 675 1 2 . 1 1 40 40 GLN C C 40 179.512 179.512 178.658 0.854 25508 676 1 2 . 1 1 40 40 GLN CA C 40 59.159 59.159 58.944 0.215 25508 677 1 2 . 1 1 40 40 GLN CB C 40 27.821 27.821 27.770 0.051 25508 678 1 2 . 1 1 40 40 GLN H H 40 8.541 8.541 7.584 0.957 25508 679 1 2 . 1 1 41 41 ASP N N 41 120.036 120.036 121.239 -1.203 25508 680 1 2 . 1 1 41 41 ASP HA H 41 4.396 4.396 4.411 -0.015 25508 681 1 2 . 1 1 41 41 ASP C C 41 179.637 179.637 177.608 2.029 25508 682 1 2 . 1 1 41 41 ASP CA C 41 57.571 57.571 56.911 0.660 25508 683 1 2 . 1 1 41 41 ASP CB C 41 40.205 40.205 40.511 -0.306 25508 684 1 2 . 1 1 41 41 ASP H H 41 8.119 8.119 7.800 0.319 25508 685 1 2 . 1 1 42 42 TRP N N 42 123.295 123.295 119.693 3.602 25508 686 1 2 . 1 1 42 42 TRP HA H 42 3.992 3.992 4.258 -0.266 25508 687 1 2 . 1 1 42 42 TRP C C 42 176.559 176.559 177.058 -0.499 25508 688 1 2 . 1 1 42 42 TRP CA C 42 58.825 58.825 59.044 -0.219 25508 689 1 2 . 1 1 42 42 TRP CB C 42 30.101 30.101 29.547 0.554 25508 690 1 2 . 1 1 42 42 TRP H H 42 8.015 8.015 7.541 0.474 25508 691 1 2 . 1 1 43 43 LEU N N 43 118.444 118.444 117.063 1.381 25508 692 1 2 . 1 1 43 43 LEU HA H 43 3.073 3.073 3.645 -0.572 25508 693 1 2 . 1 1 43 43 LEU C C 43 180.127 180.127 178.487 1.640 25508 694 1 2 . 1 1 43 43 LEU CA C 43 57.710 57.710 56.025 1.685 25508 695 1 2 . 1 1 43 43 LEU CB C 43 40.675 40.675 41.057 -0.382 25508 696 1 2 . 1 1 43 43 LEU H H 43 8.027 8.027 7.569 0.458 25508 697 1 2 . 1 1 44 44 LYS N N 44 117.577 117.577 120.954 -3.377 25508 698 1 2 . 1 1 44 44 LYS HA H 44 3.871 3.871 3.978 -0.107 25508 699 1 2 . 1 1 44 44 LYS C C 44 179.010 179.010 178.367 0.643 25508 700 1 2 . 1 1 44 44 LYS CA C 44 59.496 59.496 58.705 0.791 25508 701 1 2 . 1 1 44 44 LYS CB C 44 32.301 32.301 32.092 0.209 25508 702 1 2 . 1 1 44 44 LYS H H 44 7.065 7.065 7.349 -0.284 25508 703 1 2 . 1 1 45 45 GLN N N 45 120.755 120.755 117.623 3.132 25508 704 1 2 . 1 1 45 45 GLN HA H 45 3.834 3.834 3.997 -0.163 25508 705 1 2 . 1 1 45 45 GLN C C 45 177.807 177.807 177.987 -0.180 25508 706 1 2 . 1 1 45 45 GLN CA C 45 57.760 57.760 58.499 -0.739 25508 707 1 2 . 1 1 45 45 GLN CB C 45 27.623 27.623 28.011 -0.388 25508 708 1 2 . 1 1 45 45 GLN H H 45 7.033 7.033 7.762 -0.729 25508 709 1 2 . 1 1 46 46 GLN N N 46 120.768 120.768 120.191 0.577 25508 710 1 2 . 1 1 46 46 GLN HA H 46 3.065 3.065 3.661 -0.596 25508 711 1 2 . 1 1 46 46 GLN C C 46 177.167 177.167 178.108 -0.941 25508 712 1 2 . 1 1 46 46 GLN CA C 46 59.136 59.136 59.159 -0.023 25508 713 1 2 . 1 1 46 46 GLN CB C 46 28.416 28.416 28.245 0.171 25508 714 1 2 . 1 1 46 46 GLN H H 46 8.346 8.346 7.542 0.804 25508 715 1 2 . 1 1 47 47 THR N N 47 114.925 114.925 115.395 -0.470 25508 716 1 2 . 1 1 47 47 THR HA H 47 3.690 3.690 4.027 -0.337 25508 717 1 2 . 1 1 47 47 THR C C 47 175.615 175.615 176.374 -0.759 25508 718 1 2 . 1 1 47 47 THR CA C 47 66.804 66.804 66.199 0.605 25508 719 1 2 . 1 1 47 47 THR CB C 47 68.895 68.895 68.652 0.243 25508 720 1 2 . 1 1 47 47 THR H H 47 7.629 7.629 7.336 0.293 25508 721 1 2 . 1 1 48 48 MET N N 48 120.050 120.050 120.762 -0.712 25508 722 1 2 . 1 1 48 48 MET HA H 48 4.117 4.117 4.182 -0.065 25508 723 1 2 . 1 1 48 48 MET C C 48 177.928 177.928 178.134 -0.206 25508 724 1 2 . 1 1 48 48 MET CA C 48 59.041 59.041 59.184 -0.143 25508 725 1 2 . 1 1 48 48 MET CB C 48 31.985 31.985 32.628 -0.643 25508 726 1 2 . 1 1 48 48 MET H H 48 7.077 7.077 7.652 -0.575 25508 727 1 2 . 1 1 49 49 LEU N N 49 120.156 120.156 120.791 -0.635 25508 728 1 2 . 1 1 49 49 LEU HA H 49 3.991 3.991 4.246 -0.255 25508 729 1 2 . 1 1 49 49 LEU C C 49 180.284 180.284 178.935 1.349 25508 730 1 2 . 1 1 49 49 LEU CA C 49 58.157 58.157 57.903 0.254 25508 731 1 2 . 1 1 49 49 LEU CB C 49 42.723 42.723 42.515 0.208 25508 732 1 2 . 1 1 49 49 LEU H H 49 7.982 7.982 7.914 0.068 25508 733 1 2 . 1 1 50 50 ILE N N 50 119.987 119.987 120.288 -0.301 25508 734 1 2 . 1 1 50 50 ILE HA H 50 3.487 3.487 3.500 -0.013 25508 735 1 2 . 1 1 50 50 ILE C C 50 178.074 178.074 177.511 0.563 25508 736 1 2 . 1 1 50 50 ILE CA C 50 65.734 65.734 65.831 -0.097 25508 737 1 2 . 1 1 50 50 ILE CB C 50 38.622 38.622 37.587 1.035 25508 738 1 2 . 1 1 50 50 ILE H H 50 8.275 8.275 7.982 0.293 25508 739 1 2 . 1 1 51 51 ASN N N 51 117.331 117.331 115.601 1.730 25508 740 1 2 . 1 1 51 51 ASN HA H 51 4.493 4.493 4.449 0.044 25508 741 1 2 . 1 1 51 51 ASN C C 51 178.621 178.621 176.196 2.425 25508 742 1 2 . 1 1 51 51 ASN CA C 51 55.787 55.787 56.109 -0.322 25508 743 1 2 . 1 1 51 51 ASN CB C 51 38.273 38.273 38.852 -0.579 25508 744 1 2 . 1 1 51 51 ASN H H 51 7.902 7.902 7.890 0.012 25508 745 1 2 . 1 1 52 52 GLU N N 52 120.128 120.128 119.736 0.392 25508 746 1 2 . 1 1 52 52 GLU HA H 52 4.006 4.006 4.091 -0.085 25508 747 1 2 . 1 1 52 52 GLU C C 52 177.628 177.628 178.272 -0.644 25508 748 1 2 . 1 1 52 52 GLU CA C 52 59.034 59.034 58.932 0.102 25508 749 1 2 . 1 1 52 52 GLU CB C 52 29.714 29.714 30.267 -0.553 25508 750 1 2 . 1 1 52 52 GLU H H 52 8.958 8.958 7.654 1.304 25508 751 1 2 . 1 1 53 53 ASN N N 53 112.872 112.872 116.022 -3.150 25508 752 1 2 . 1 1 53 53 ASN HA H 53 4.666 4.666 4.538 0.128 25508 753 1 2 . 1 1 53 53 ASN C C 53 173.022 173.022 175.125 -2.103 25508 754 1 2 . 1 1 53 53 ASN CA C 53 53.416 53.416 54.672 -1.256 25508 755 1 2 . 1 1 53 53 ASN CB C 53 38.938 38.938 39.051 -0.113 25508 756 1 2 . 1 1 53 53 ASN H H 53 7.535 7.535 8.126 -0.591 25508 757 1 2 . 1 1 54 54 ARG N N 54 118.579 118.579 113.852 4.727 25508 758 1 2 . 1 1 54 54 ARG HA H 54 3.975 3.975 4.029 -0.054 25508 759 1 2 . 1 1 54 54 ARG C C 54 176.170 176.170 175.480 0.690 25508 760 1 2 . 1 1 54 54 ARG CA C 54 56.615 56.615 56.297 0.318 25508 761 1 2 . 1 1 54 54 ARG CB C 54 27.180 27.180 27.026 0.155 25508 762 1 2 . 1 1 54 54 ARG H H 54 7.696 7.696 7.451 0.245 25508 763 1 2 . 1 1 55 55 LEU N N 55 116.705 116.705 118.574 -1.869 25508 764 1 2 . 1 1 55 55 LEU HA H 55 4.097 4.097 4.245 -0.148 25508 765 1 2 . 1 1 55 55 LEU C C 55 176.242 176.242 177.277 -1.035 25508 766 1 2 . 1 1 55 55 LEU CA C 55 55.099 55.099 54.428 0.671 25508 767 1 2 . 1 1 55 55 LEU CB C 55 42.694 42.694 42.204 0.490 25508 768 1 2 . 1 1 55 55 LEU H H 55 7.927 7.927 7.781 0.146 25508 769 1 2 . 1 1 56 56 ASN N N 56 120.616 120.616 118.495 2.121 25508 770 1 2 . 1 1 56 56 ASN HA H 56 4.708 4.708 4.946 -0.238 25508 771 1 2 . 1 1 56 56 ASN C C 56 176.058 176.058 175.491 0.567 25508 772 1 2 . 1 1 56 56 ASN CA C 56 51.440 51.440 51.544 -0.104 25508 773 1 2 . 1 1 56 56 ASN CB C 56 38.554 38.554 37.979 0.575 25508 774 1 2 . 1 1 56 56 ASN H H 56 8.530 8.530 8.497 0.033 25508 775 1 2 . 1 1 57 57 MET N N 57 121.659 121.659 122.891 -1.232 25508 776 1 2 . 1 1 57 57 MET HA H 57 4.341 4.341 4.063 0.278 25508 777 1 2 . 1 1 57 57 MET C C 57 176.694 176.694 177.083 -0.389 25508 778 1 2 . 1 1 57 57 MET CA C 57 55.717 55.717 58.838 -3.121 25508 779 1 2 . 1 1 57 57 MET CB C 57 30.266 30.266 32.343 -2.077 25508 780 1 2 . 1 1 57 57 MET H H 57 8.628 8.628 8.709 -0.081 25508 781 1 2 . 1 1 58 58 ALA N N 58 120.515 120.515 119.949 0.566 25508 782 1 2 . 1 1 58 58 ALA HA H 58 4.267 4.267 4.130 0.137 25508 783 1 2 . 1 1 58 58 ALA C C 58 177.625 177.625 178.195 -0.570 25508 784 1 2 . 1 1 58 58 ALA CA C 58 52.643 52.643 53.365 -0.722 25508 785 1 2 . 1 1 58 58 ALA CB C 58 18.667 18.667 18.824 -0.157 25508 786 1 2 . 1 1 58 58 ALA H H 58 7.988 7.988 7.767 0.221 25508 787 1 2 . 1 1 59 59 ASP N N 59 121.926 121.926 118.123 3.803 25508 788 1 2 . 1 1 59 59 ASP CA C 59 50.871 50.871 51.986 -1.115 25508 789 1 2 . 1 1 59 59 ASP CB C 59 42.450 42.450 41.969 0.481 25508 790 1 2 . 1 1 59 59 ASP H H 59 8.024 8.024 7.769 0.255 25508 791 1 2 . 1 1 60 60 PRO HA H 60 4.186 4.186 4.358 -0.172 25508 792 1 2 . 1 1 60 60 PRO C C 60 179.232 179.232 178.110 1.122 25508 793 1 2 . 1 1 60 60 PRO CA C 60 65.347 65.347 64.382 0.965 25508 794 1 2 . 1 1 60 60 PRO CB C 60 32.399 32.399 32.409 -0.010 25508 795 1 2 . 1 1 61 61 ARG N N 61 117.390 117.390 118.873 -1.483 25508 796 1 2 . 1 1 61 61 ARG HA H 61 4.107 4.107 4.110 -0.003 25508 797 1 2 . 1 1 61 61 ARG C C 61 179.817 179.817 178.232 1.585 25508 798 1 2 . 1 1 61 61 ARG CA C 61 59.098 59.098 59.088 0.010 25508 799 1 2 . 1 1 61 61 ARG CB C 61 29.670 29.670 29.003 0.667 25508 800 1 2 . 1 1 61 61 ARG H H 61 8.597 8.597 8.573 0.024 25508 801 1 2 . 1 1 62 62 ALA N N 62 124.172 124.172 120.478 3.694 25508 802 1 2 . 1 1 62 62 ALA HA H 62 4.201 4.201 4.282 -0.081 25508 803 1 2 . 1 1 62 62 ALA C C 62 179.726 179.726 179.868 -0.142 25508 804 1 2 . 1 1 62 62 ALA CA C 62 55.011 55.011 54.604 0.407 25508 805 1 2 . 1 1 62 62 ALA CB C 62 19.251 19.251 18.482 0.769 25508 806 1 2 . 1 1 62 62 ALA H H 62 7.597 7.597 7.685 -0.088 25508 807 1 2 . 1 1 63 63 ARG N N 63 116.483 116.483 117.821 -1.338 25508 808 1 2 . 1 1 63 63 ARG HA H 63 3.985 3.985 4.218 -0.233 25508 809 1 2 . 1 1 63 63 ARG C C 63 179.234 179.234 178.912 0.322 25508 810 1 2 . 1 1 63 63 ARG CA C 63 60.029 60.029 58.941 1.089 25508 811 1 2 . 1 1 63 63 ARG CB C 63 29.806 29.806 30.239 -0.433 25508 812 1 2 . 1 1 63 63 ARG H H 63 7.640 7.640 7.854 -0.214 25508 813 1 2 . 1 1 64 64 GLN N N 64 119.143 119.143 118.952 0.191 25508 814 1 2 . 1 1 64 64 GLN HA H 64 4.095 4.095 4.269 -0.174 25508 815 1 2 . 1 1 64 64 GLN C C 64 178.261 178.261 176.513 1.748 25508 816 1 2 . 1 1 64 64 GLN CA C 64 59.183 59.183 57.110 2.073 25508 817 1 2 . 1 1 64 64 GLN CB C 64 28.266 28.266 28.727 -0.461 25508 818 1 2 . 1 1 64 64 GLN H H 64 8.114 8.114 8.280 -0.166 25508 819 1 2 . 1 1 65 65 TYR N N 65 121.413 121.413 120.210 1.203 25508 820 1 2 . 1 1 65 65 TYR HA H 65 4.321 4.321 4.381 -0.060 25508 821 1 2 . 1 1 65 65 TYR C C 65 180.478 180.478 177.814 2.664 25508 822 1 2 . 1 1 65 65 TYR CA C 65 61.407 61.407 60.541 0.867 25508 823 1 2 . 1 1 65 65 TYR CB C 65 37.831 37.831 38.861 -1.030 25508 824 1 2 . 1 1 65 65 TYR H H 65 7.929 7.929 7.656 0.273 25508 825 1 2 . 1 1 66 66 LEU N N 66 119.499 119.499 120.476 -0.977 25508 826 1 2 . 1 1 66 66 LEU HA H 66 3.870 3.870 3.845 0.025 25508 827 1 2 . 1 1 66 66 LEU C C 66 180.847 180.847 178.859 1.988 25508 828 1 2 . 1 1 66 66 LEU CA C 66 57.959 57.959 57.826 0.133 25508 829 1 2 . 1 1 66 66 LEU CB C 66 41.522 41.522 41.852 -0.330 25508 830 1 2 . 1 1 66 66 LEU H H 66 8.328 8.328 8.246 0.082 25508 831 1 2 . 1 1 67 67 MET N N 67 122.316 122.316 117.355 4.961 25508 832 1 2 . 1 1 67 67 MET HA H 67 4.100 4.100 4.100 0.000 25508 833 1 2 . 1 1 67 67 MET C C 67 178.402 178.402 177.831 0.571 25508 834 1 2 . 1 1 67 67 MET CA C 67 59.693 59.693 59.013 0.680 25508 835 1 2 . 1 1 67 67 MET CB C 67 32.202 32.202 32.439 -0.237 25508 836 1 2 . 1 1 67 67 MET H H 67 8.480 8.480 7.949 0.531 25508 837 1 2 . 1 1 68 68 LYS N N 68 120.460 120.460 116.876 3.584 25508 838 1 2 . 1 1 68 68 LYS HA H 68 4.160 4.160 4.170 -0.010 25508 839 1 2 . 1 1 68 68 LYS C C 68 179.963 179.963 179.007 0.956 25508 840 1 2 . 1 1 68 68 LYS CA C 68 58.857 58.857 58.305 0.552 25508 841 1 2 . 1 1 68 68 LYS CB C 68 31.276 31.276 31.826 -0.550 25508 842 1 2 . 1 1 68 68 LYS H H 68 8.024 8.024 7.531 0.493 25508 843 1 2 . 1 1 69 69 GLN N N 69 117.834 117.834 117.241 0.593 25508 844 1 2 . 1 1 69 69 GLN HA H 69 3.858 3.858 4.350 -0.492 25508 845 1 2 . 1 1 69 69 GLN C C 69 178.013 178.013 177.302 0.711 25508 846 1 2 . 1 1 69 69 GLN CA C 69 58.097 58.097 57.296 0.801 25508 847 1 2 . 1 1 69 69 GLN CB C 69 27.601 27.601 28.386 -0.785 25508 848 1 2 . 1 1 69 69 GLN H H 69 8.281 8.281 7.938 0.343 25508 849 1 2 . 1 1 70 70 THR N N 70 119.066 119.066 115.801 3.265 25508 850 1 2 . 1 1 70 70 THR HA H 70 2.666 2.666 4.121 -1.455 25508 851 1 2 . 1 1 70 70 THR C C 70 175.189 175.189 175.537 -0.348 25508 852 1 2 . 1 1 70 70 THR CA C 70 66.732 66.732 65.127 1.605 25508 853 1 2 . 1 1 70 70 THR CB C 70 68.451 68.451 68.522 -0.071 25508 854 1 2 . 1 1 70 70 THR H H 70 8.245 8.245 7.652 0.593 25508 855 1 2 . 1 1 71 71 GLU N N 71 121.112 121.112 122.197 -1.085 25508 856 1 2 . 1 1 71 71 GLU HA H 71 3.873 3.873 4.143 -0.270 25508 857 1 2 . 1 1 71 71 GLU C C 71 177.903 177.903 178.588 -0.685 25508 858 1 2 . 1 1 71 71 GLU CA C 71 60.325 60.325 59.615 0.710 25508 859 1 2 . 1 1 71 71 GLU CB C 71 30.065 30.065 29.724 0.341 25508 860 1 2 . 1 1 71 71 GLU H H 71 7.872 7.872 8.115 -0.243 25508 861 1 2 . 1 1 72 72 LYS N N 72 118.112 118.112 118.737 -0.625 25508 862 1 2 . 1 1 72 72 LYS HA H 72 3.853 3.853 4.172 -0.319 25508 863 1 2 . 1 1 72 72 LYS C C 72 178.447 178.447 179.070 -0.623 25508 864 1 2 . 1 1 72 72 LYS CA C 72 59.199 59.199 58.824 0.375 25508 865 1 2 . 1 1 72 72 LYS CB C 72 32.705 32.705 32.049 0.656 25508 866 1 2 . 1 1 72 72 LYS H H 72 7.932 7.932 7.748 0.184 25508 867 1 2 . 1 1 73 73 TYR N N 73 119.703 119.703 119.418 0.285 25508 868 1 2 . 1 1 73 73 TYR HA H 73 3.704 3.704 4.210 -0.506 25508 869 1 2 . 1 1 73 73 TYR C C 73 176.953 176.953 177.434 -0.481 25508 870 1 2 . 1 1 73 73 TYR CA C 73 61.540 61.540 60.969 0.570 25508 871 1 2 . 1 1 73 73 TYR CB C 73 38.266 38.266 38.334 -0.068 25508 872 1 2 . 1 1 73 73 TYR H H 73 7.800 7.800 7.800 0.000 25508 873 1 2 . 1 1 74 74 PHE N N 74 111.749 111.749 118.027 -6.278 25508 874 1 2 . 1 1 74 74 PHE HA H 74 3.886 3.886 4.167 -0.281 25508 875 1 2 . 1 1 74 74 PHE C C 74 176.300 176.300 177.113 -0.813 25508 876 1 2 . 1 1 74 74 PHE CA C 74 61.784 61.784 59.009 2.775 25508 877 1 2 . 1 1 74 74 PHE CB C 74 39.690 39.690 39.806 -0.116 25508 878 1 2 . 1 1 74 74 PHE H H 74 7.139 7.139 7.431 -0.292 25508 879 1 2 . 1 1 75 75 PHE N N 75 114.845 114.845 117.001 -2.156 25508 880 1 2 . 1 1 75 75 PHE HA H 75 5.009 5.009 4.025 0.984 25508 881 1 2 . 1 1 75 75 PHE C C 75 176.448 176.448 176.770 -0.322 25508 882 1 2 . 1 1 75 75 PHE CA C 75 56.575 56.575 58.067 -1.492 25508 883 1 2 . 1 1 75 75 PHE CB C 75 40.353 40.353 38.543 1.810 25508 884 1 2 . 1 1 75 75 PHE H H 75 8.275 8.275 7.353 0.922 25508 885 1 2 . 1 1 76 76 GLY N N 76 109.977 109.977 107.119 2.858 25508 886 1 2 . 1 1 76 76 GLY C C 76 173.602 173.602 175.422 -1.820 25508 887 1 2 . 1 1 76 76 GLY CA C 76 45.375 45.375 45.924 -0.549 25508 888 1 2 . 1 1 76 76 GLY H H 76 7.836 7.836 7.788 0.048 25508 889 1 2 . 1 1 77 77 GLU N N 77 120.068 120.068 118.314 1.754 25508 890 1 2 . 1 1 77 77 GLU HA H 77 4.259 4.259 4.012 0.247 25508 891 1 2 . 1 1 77 77 GLU C C 77 176.925 176.925 177.104 -0.179 25508 892 1 2 . 1 1 77 77 GLU CA C 77 56.647 56.647 57.725 -1.078 25508 893 1 2 . 1 1 77 77 GLU CB C 77 30.694 30.694 29.347 1.347 25508 894 1 2 . 1 1 77 77 GLU H H 77 8.445 8.445 8.420 0.025 25508 895 1 2 . 1 1 78 78 GLY N N 78 110.135 110.135 107.405 2.730 25508 896 1 2 . 1 1 78 78 GLY C C 78 174.241 174.241 173.770 0.471 25508 897 1 2 . 1 1 78 78 GLY CA C 78 45.368 45.368 44.478 0.890 25508 898 1 2 . 1 1 78 78 GLY H H 78 8.457 8.457 7.914 0.543 25508 899 1 2 . 1 1 79 79 ALA N N 79 123.773 123.773 126.117 -2.344 25508 900 1 2 . 1 1 79 79 ALA HA H 79 4.208 4.208 4.261 -0.053 25508 901 1 2 . 1 1 79 79 ALA C C 79 177.657 177.657 175.830 1.827 25508 902 1 2 . 1 1 79 79 ALA CA C 79 52.782 52.782 53.284 -0.502 25508 903 1 2 . 1 1 79 79 ALA CB C 79 19.145 19.145 18.741 0.404 25508 904 1 2 . 1 1 79 79 ALA H H 79 8.195 8.195 8.156 0.039 25508 905 1 2 . 1 1 80 80 ASP N N 80 118.833 118.833 119.554 -0.721 25508 906 1 2 . 1 1 80 80 ASP HA H 80 4.473 4.473 4.697 -0.224 25508 907 1 2 . 1 1 80 80 ASP C C 80 176.374 176.374 174.360 2.014 25508 908 1 2 . 1 1 80 80 ASP CA C 80 54.383 54.383 53.385 0.998 25508 909 1 2 . 1 1 80 80 ASP CB C 80 40.940 40.940 42.549 -1.609 25508 910 1 2 . 1 1 80 80 ASP H H 80 8.347 8.347 7.935 0.412 25508 911 1 2 . 1 1 81 81 GLN N N 81 120.376 120.376 120.781 -0.405 25508 912 1 2 . 1 1 81 81 GLN HA H 81 4.225 4.225 4.871 -0.646 25508 913 1 2 . 1 1 81 81 GLN C C 81 176.029 176.029 174.061 1.968 25508 914 1 2 . 1 1 81 81 GLN CA C 81 55.969 55.969 54.500 1.469 25508 915 1 2 . 1 1 81 81 GLN CB C 81 29.242 29.242 31.248 -2.006 25508 916 1 2 . 1 1 81 81 GLN H H 81 8.188 8.188 8.629 -0.441 25508 917 1 2 . 1 1 82 82 ALA N N 82 124.734 124.734 122.872 1.862 25508 918 1 2 . 1 1 82 82 ALA HA H 82 4.271 4.271 4.719 -0.448 25508 919 1 2 . 1 1 82 82 ALA C C 82 178.011 178.011 175.744 2.267 25508 920 1 2 . 1 1 82 82 ALA CA C 82 52.680 52.680 52.229 0.451 25508 921 1 2 . 1 1 82 82 ALA CB C 82 19.023 19.023 20.376 -1.353 25508 922 1 2 . 1 1 82 82 ALA H H 82 8.307 8.307 8.617 -0.310 25508 923 1 2 . 1 1 83 83 SER N N 83 114.999 114.999 119.338 -4.339 25508 924 1 2 . 1 1 83 83 SER HA H 83 4.368 4.368 4.783 -0.415 25508 925 1 2 . 1 1 83 83 SER C C 83 175.141 175.141 173.401 1.740 25508 926 1 2 . 1 1 83 83 SER CA C 83 58.843 58.843 57.820 1.023 25508 927 1 2 . 1 1 83 83 SER CB C 83 63.849 63.849 64.829 -0.980 25508 928 1 2 . 1 1 83 83 SER H H 83 8.269 8.269 8.826 -0.557 25508 929 1 2 . 1 1 84 84 GLY N N 84 110.722 110.722 109.441 1.281 25508 930 1 2 . 1 1 84 84 GLY C C 84 173.457 173.457 172.972 0.485 25508 931 1 2 . 1 1 84 84 GLY CA C 84 45.168 45.168 45.131 0.037 25508 932 1 2 . 1 1 84 84 GLY H H 84 8.324 8.324 8.148 0.176 25508 933 1 2 . 1 1 85 85 TYR N N 85 121.054 121.054 121.580 -0.526 25508 934 1 2 . 1 1 85 85 TYR HA H 85 4.395 4.395 4.370 0.024 25508 935 1 2 . 1 1 85 85 TYR C C 85 174.866 174.866 176.961 -2.095 25508 936 1 2 . 1 1 85 85 TYR CA C 85 58.433 58.433 57.988 0.445 25508 937 1 2 . 1 1 85 85 TYR CB C 85 38.856 38.856 39.560 -0.704 25508 938 1 2 . 1 1 85 85 TYR H H 85 7.982 7.982 8.350 -0.368 25508 939 1 2 . 1 1 86 86 VAL N N 86 127.973 127.973 118.445 9.528 25508 940 1 2 . 1 1 86 86 VAL CA C 86 58.815 58.815 61.046 -2.231 25508 941 1 2 . 1 1 86 86 VAL CB C 86 33.360 33.360 31.058 2.302 25508 942 1 2 . 1 1 86 86 VAL H H 86 7.734 7.734 7.503 0.231 25508 943 1 2 . 1 1 88 88 PRO HA H 88 4.320 4.320 4.458 -0.138 25508 944 1 2 . 1 1 88 88 PRO C C 88 176.654 176.654 175.731 0.923 25508 945 1 2 . 1 1 88 88 PRO CA C 88 62.735 62.735 62.634 0.101 25508 946 1 2 . 1 1 88 88 PRO CB C 88 32.007 32.007 32.470 -0.463 25508 947 1 2 . 1 1 89 89 ALA N N 89 124.497 124.497 122.218 2.279 25508 948 1 2 . 1 1 89 89 ALA HA H 89 4.213 4.213 4.644 -0.431 25508 949 1 2 . 1 1 89 89 ALA C C 89 177.739 177.739 176.635 1.104 25508 950 1 2 . 1 1 89 89 ALA CA C 89 52.564 52.564 51.693 0.871 25508 951 1 2 . 1 1 89 89 ALA CB C 89 19.103 19.103 19.617 -0.514 25508 952 1 2 . 1 1 89 89 ALA H H 89 8.332 8.332 8.278 0.054 25508 953 1 2 . 1 1 90 90 GLN N N 90 119.712 119.712 120.603 -0.891 25508 954 1 2 . 1 1 90 90 GLN HA H 90 4.301 4.301 4.779 -0.478 25508 955 1 2 . 1 1 90 90 GLN C C 90 175.302 175.302 176.098 -0.796 25508 956 1 2 . 1 1 90 90 GLN CA C 90 55.717 55.717 55.260 0.457 25508 957 1 2 . 1 1 90 90 GLN CB C 90 29.764 29.764 29.990 -0.226 25508 958 1 2 . 1 1 90 90 GLN H H 90 8.338 8.338 8.832 -0.494 25508 959 1 3 . 1 1 2 2 ALA N N 2 125.581 125.581 130.410 -4.829 25508 960 1 3 . 1 1 2 2 ALA HA H 2 4.204 4.204 4.377 -0.173 25508 961 1 3 . 1 1 2 2 ALA C C 2 176.764 176.764 176.988 -0.224 25508 962 1 3 . 1 1 2 2 ALA CA C 2 52.280 52.280 52.877 -0.597 25508 963 1 3 . 1 1 2 2 ALA CB C 2 19.494 19.494 19.194 0.300 25508 964 1 3 . 1 1 2 2 ALA H H 2 8.203 8.203 8.543 -0.340 25508 965 1 3 . 1 1 3 3 ARG N N 3 123.058 123.058 114.544 8.514 25508 966 1 3 . 1 1 3 3 ARG HA H 3 4.247 4.247 4.434 -0.187 25508 967 1 3 . 1 1 3 3 ARG C C 3 174.914 174.914 174.100 0.814 25508 968 1 3 . 1 1 3 3 ARG CA C 3 55.678 55.678 55.723 -0.045 25508 969 1 3 . 1 1 3 3 ARG CB C 3 31.276 31.276 33.052 -1.776 25508 970 1 3 . 1 1 3 3 ARG H H 3 8.649 8.649 7.933 0.716 25508 971 1 3 . 1 1 4 4 MET N N 4 125.010 125.010 118.642 6.368 25508 972 1 3 . 1 1 4 4 MET HA H 4 4.966 4.966 4.908 0.058 25508 973 1 3 . 1 1 4 4 MET C C 4 176.144 176.144 174.666 1.478 25508 974 1 3 . 1 1 4 4 MET CA C 4 53.311 53.311 54.789 -1.478 25508 975 1 3 . 1 1 4 4 MET CB C 4 32.120 32.120 34.199 -2.079 25508 976 1 3 . 1 1 4 4 MET H H 4 8.427 8.427 8.383 0.044 25508 977 1 3 . 1 1 5 5 ILE N N 5 117.850 117.850 117.838 0.012 25508 978 1 3 . 1 1 5 5 ILE HA H 5 4.623 4.623 4.607 0.016 25508 979 1 3 . 1 1 5 5 ILE C C 5 174.207 174.207 173.651 0.556 25508 980 1 3 . 1 1 5 5 ILE CA C 5 58.353 58.353 58.919 -0.566 25508 981 1 3 . 1 1 5 5 ILE CB C 5 42.910 42.910 41.984 0.926 25508 982 1 3 . 1 1 5 5 ILE H H 5 8.860 8.860 8.798 0.062 25508 983 1 3 . 1 1 6 6 HIS N N 6 120.378 120.378 119.114 1.264 25508 984 1 3 . 1 1 6 6 HIS HA H 6 4.301 4.301 5.064 -0.763 25508 985 1 3 . 1 1 6 6 HIS C C 6 173.087 173.087 174.987 -1.900 25508 986 1 3 . 1 1 6 6 HIS CA C 6 56.131 56.131 53.882 2.249 25508 987 1 3 . 1 1 6 6 HIS CB C 6 28.508 28.508 28.552 -0.044 25508 988 1 3 . 1 1 6 6 HIS H H 6 8.506 8.506 8.230 0.276 25508 989 1 3 . 1 1 7 7 CYS N N 7 131.021 131.021 122.299 8.722 25508 990 1 3 . 1 1 7 7 CYS HA H 7 4.154 4.154 4.191 -0.037 25508 991 1 3 . 1 1 7 7 CYS C C 7 177.621 177.621 175.820 1.801 25508 992 1 3 . 1 1 7 7 CYS CA C 7 61.346 61.346 58.501 2.845 25508 993 1 3 . 1 1 7 7 CYS CB C 7 31.004 31.004 25.815 5.189 25508 994 1 3 . 1 1 7 7 CYS H H 7 7.873 7.873 8.565 -0.692 25508 995 1 3 . 1 1 8 8 ALA N N 8 133.325 133.325 127.897 5.428 25508 996 1 3 . 1 1 8 8 ALA HA H 8 4.229 4.229 3.582 0.647 25508 997 1 3 . 1 1 8 8 ALA C C 8 178.608 178.608 177.774 0.834 25508 998 1 3 . 1 1 8 8 ALA CA C 8 54.478 54.478 53.518 0.960 25508 999 1 3 . 1 1 8 8 ALA CB C 8 19.264 19.264 17.491 1.773 25508 1000 1 3 . 1 1 8 8 ALA H H 8 9.543 9.543 7.842 1.701 25508 1001 1 3 . 1 1 9 9 LYS N N 9 122.128 122.128 116.527 5.601 25508 1002 1 3 . 1 1 9 9 LYS CA C 9 56.353 56.353 57.921 -1.568 25508 1003 1 3 . 1 1 9 9 LYS CB C 9 33.619 33.619 32.521 1.098 25508 1004 1 3 . 1 1 9 9 LYS H H 9 9.739 9.739 8.161 1.578 25508 1005 1 3 . 1 1 10 10 LEU HA H 10 4.194 4.194 4.692 -0.498 25508 1006 1 3 . 1 1 10 10 LEU C C 10 178.870 178.870 177.665 1.205 25508 1007 1 3 . 1 1 10 10 LEU CA C 10 55.934 55.934 54.952 0.982 25508 1008 1 3 . 1 1 10 10 LEU CB C 10 42.693 42.693 43.855 -1.162 25508 1009 1 3 . 1 1 11 11 GLY N N 11 107.385 107.385 105.801 1.584 25508 1010 1 3 . 1 1 11 11 GLY C C 11 173.268 173.268 174.004 -0.736 25508 1011 1 3 . 1 1 11 11 GLY CA C 11 46.756 46.756 44.918 1.838 25508 1012 1 3 . 1 1 11 11 GLY H H 11 8.258 8.258 8.304 -0.046 25508 1013 1 3 . 1 1 12 12 LYS N N 12 112.456 112.456 119.333 -6.877 25508 1014 1 3 . 1 1 12 12 LYS HA H 12 4.547 4.547 4.695 -0.148 25508 1015 1 3 . 1 1 12 12 LYS C C 12 173.822 173.822 174.835 -1.013 25508 1016 1 3 . 1 1 12 12 LYS CA C 12 53.523 53.523 53.687 -0.164 25508 1017 1 3 . 1 1 12 12 LYS CB C 12 35.156 35.156 34.478 0.678 25508 1018 1 3 . 1 1 12 12 LYS H H 12 6.772 6.772 7.615 -0.843 25508 1019 1 3 . 1 1 13 13 GLU N N 13 121.058 121.058 119.709 1.349 25508 1020 1 3 . 1 1 13 13 GLU HA H 13 4.874 4.874 4.674 0.200 25508 1021 1 3 . 1 1 13 13 GLU C C 13 176.290 176.290 175.439 0.851 25508 1022 1 3 . 1 1 13 13 GLU CA C 13 56.291 56.291 55.793 0.498 25508 1023 1 3 . 1 1 13 13 GLU CB C 13 29.827 29.827 30.675 -0.849 25508 1024 1 3 . 1 1 13 13 GLU H H 13 8.402 8.402 8.554 -0.152 25508 1025 1 3 . 1 1 14 14 ALA N N 14 127.978 127.978 128.724 -0.746 25508 1026 1 3 . 1 1 14 14 ALA HA H 14 4.514 4.514 4.682 -0.168 25508 1027 1 3 . 1 1 14 14 ALA C C 14 175.156 175.156 175.633 -0.477 25508 1028 1 3 . 1 1 14 14 ALA CA C 14 51.437 51.437 50.529 0.909 25508 1029 1 3 . 1 1 14 14 ALA CB C 14 23.586 23.586 21.910 1.676 25508 1030 1 3 . 1 1 14 14 ALA H H 14 9.330 9.330 8.733 0.597 25508 1031 1 3 . 1 1 15 15 GLU N N 15 120.272 120.272 118.298 1.974 25508 1032 1 3 . 1 1 15 15 GLU HA H 15 4.573 4.573 4.667 -0.094 25508 1033 1 3 . 1 1 15 15 GLU C C 15 178.292 178.292 177.281 1.011 25508 1034 1 3 . 1 1 15 15 GLU CA C 15 57.645 57.645 54.910 2.735 25508 1035 1 3 . 1 1 15 15 GLU CB C 15 30.016 30.016 30.704 -0.688 25508 1036 1 3 . 1 1 15 15 GLU H H 15 8.560 8.560 8.464 0.096 25508 1037 1 3 . 1 1 16 16 GLY N N 16 113.246 113.246 108.371 4.875 25508 1038 1 3 . 1 1 16 16 GLY C C 16 172.877 172.877 174.459 -1.582 25508 1039 1 3 . 1 1 16 16 GLY CA C 16 44.636 44.636 44.216 0.420 25508 1040 1 3 . 1 1 16 16 GLY H H 16 9.236 9.236 8.306 0.930 25508 1041 1 3 . 1 1 17 17 LEU N N 17 120.058 120.058 121.364 -1.306 25508 1042 1 3 . 1 1 17 17 LEU HA H 17 3.960 3.960 4.161 -0.201 25508 1043 1 3 . 1 1 17 17 LEU C C 17 177.457 177.457 177.427 0.030 25508 1044 1 3 . 1 1 17 17 LEU CA C 17 55.375 55.375 56.125 -0.750 25508 1045 1 3 . 1 1 17 17 LEU CB C 17 43.355 43.355 42.253 1.102 25508 1046 1 3 . 1 1 17 17 LEU H H 17 9.482 9.482 7.848 1.634 25508 1047 1 3 . 1 1 18 18 ASP N N 18 118.600 118.600 117.496 1.104 25508 1048 1 3 . 1 1 18 18 ASP HA H 18 4.531 4.531 4.446 0.085 25508 1049 1 3 . 1 1 18 18 ASP C C 18 175.929 175.929 174.565 1.364 25508 1050 1 3 . 1 1 18 18 ASP CA C 18 56.544 56.544 55.685 0.859 25508 1051 1 3 . 1 1 18 18 ASP CB C 18 41.655 41.655 40.247 1.408 25508 1052 1 3 . 1 1 18 18 ASP H H 18 8.848 8.848 8.328 0.520 25508 1053 1 3 . 1 1 19 19 PHE N N 19 113.195 113.195 116.924 -3.729 25508 1054 1 3 . 1 1 19 19 PHE CA C 19 55.070 55.070 54.398 0.672 25508 1055 1 3 . 1 1 19 19 PHE CB C 19 38.588 38.588 42.213 -3.625 25508 1056 1 3 . 1 1 19 19 PHE H H 19 7.108 7.108 7.657 -0.549 25508 1057 1 3 . 1 1 21 21 PRO HA H 21 4.357 4.357 4.508 -0.151 25508 1058 1 3 . 1 1 21 21 PRO C C 21 174.627 174.627 176.592 -1.965 25508 1059 1 3 . 1 1 21 21 PRO CA C 21 63.914 63.914 64.154 -0.240 25508 1060 1 3 . 1 1 21 21 PRO CB C 21 31.431 31.431 32.399 -0.968 25508 1061 1 3 . 1 1 22 22 LEU N N 22 117.643 117.643 117.595 0.048 25508 1062 1 3 . 1 1 22 22 LEU CA C 22 51.462 51.462 52.143 -0.681 25508 1063 1 3 . 1 1 22 22 LEU CB C 22 46.011 46.011 44.339 1.672 25508 1064 1 3 . 1 1 22 22 LEU H H 22 6.788 6.788 7.503 -0.715 25508 1065 1 3 . 1 1 24 24 GLY N N 24 105.443 105.443 112.105 -6.662 25508 1066 1 3 . 1 1 24 24 GLY C C 24 175.297 175.297 174.502 0.795 25508 1067 1 3 . 1 1 24 24 GLY CA C 24 45.381 45.381 44.635 0.746 25508 1068 1 3 . 1 1 24 24 GLY H H 24 8.367 8.367 7.832 0.535 25508 1069 1 3 . 1 1 25 25 GLU N N 25 122.031 122.031 119.887 2.144 25508 1070 1 3 . 1 1 25 25 GLU HA H 25 3.887 3.887 4.329 -0.442 25508 1071 1 3 . 1 1 25 25 GLU C C 25 179.015 179.015 178.177 0.838 25508 1072 1 3 . 1 1 25 25 GLU CA C 25 59.283 59.283 57.884 1.399 25508 1073 1 3 . 1 1 25 25 GLU CB C 25 29.176 29.176 29.865 -0.689 25508 1074 1 3 . 1 1 25 25 GLU H H 25 8.737 8.737 8.603 0.134 25508 1075 1 3 . 1 1 26 26 LEU N N 26 120.531 120.531 120.595 -0.064 25508 1076 1 3 . 1 1 26 26 LEU HA H 26 4.104 4.104 3.977 0.127 25508 1077 1 3 . 1 1 26 26 LEU C C 26 178.836 178.836 178.410 0.426 25508 1078 1 3 . 1 1 26 26 LEU CA C 26 57.981 57.981 57.824 0.157 25508 1079 1 3 . 1 1 26 26 LEU CB C 26 40.939 40.939 41.458 -0.519 25508 1080 1 3 . 1 1 26 26 LEU H H 26 8.852 8.852 8.062 0.790 25508 1081 1 3 . 1 1 27 27 GLY N N 27 102.599 102.599 106.084 -3.485 25508 1082 1 3 . 1 1 27 27 GLY C C 27 175.874 175.874 175.862 0.012 25508 1083 1 3 . 1 1 27 27 GLY CA C 27 48.024 48.024 47.091 0.933 25508 1084 1 3 . 1 1 27 27 GLY H H 27 6.894 6.894 8.337 -1.443 25508 1085 1 3 . 1 1 28 28 LYS N N 28 122.738 122.738 120.890 1.848 25508 1086 1 3 . 1 1 28 28 LYS HA H 28 3.914 3.914 4.425 -0.511 25508 1087 1 3 . 1 1 28 28 LYS C C 28 177.965 177.965 178.343 -0.378 25508 1088 1 3 . 1 1 28 28 LYS CA C 28 59.844 59.844 58.906 0.938 25508 1089 1 3 . 1 1 28 28 LYS CB C 28 32.169 32.169 32.503 -0.334 25508 1090 1 3 . 1 1 28 28 LYS H H 28 7.449 7.449 8.060 -0.611 25508 1091 1 3 . 1 1 29 29 ARG N N 29 119.988 119.988 116.366 3.622 25508 1092 1 3 . 1 1 29 29 ARG HA H 29 3.998 3.998 4.466 -0.469 25508 1093 1 3 . 1 1 29 29 ARG CA C 29 59.876 59.876 57.525 2.351 25508 1094 1 3 . 1 1 29 29 ARG CB C 29 30.829 30.829 30.508 0.321 25508 1095 1 3 . 1 1 29 29 ARG H H 29 8.194 8.194 7.641 0.553 25508 1096 1 3 . 1 1 30 30 LEU N N 30 119.547 119.547 121.139 -1.592 25508 1097 1 3 . 1 1 30 30 LEU HA H 30 3.849 3.849 4.203 -0.354 25508 1098 1 3 . 1 1 30 30 LEU C C 30 177.351 177.351 178.267 -0.916 25508 1099 1 3 . 1 1 30 30 LEU CA C 30 58.068 58.068 57.514 0.554 25508 1100 1 3 . 1 1 30 30 LEU CB C 30 41.547 41.547 42.541 -0.994 25508 1101 1 3 . 1 1 30 30 LEU H H 30 8.333 8.333 7.839 0.494 25508 1102 1 3 . 1 1 31 31 TYR N N 31 118.033 118.033 117.453 0.580 25508 1103 1 3 . 1 1 31 31 TYR HA H 31 3.895 3.895 4.122 -0.227 25508 1104 1 3 . 1 1 31 31 TYR C C 31 178.434 178.434 176.307 2.127 25508 1105 1 3 . 1 1 31 31 TYR CA C 31 61.391 61.391 60.598 0.793 25508 1106 1 3 . 1 1 31 31 TYR CB C 31 39.083 39.083 37.800 1.282 25508 1107 1 3 . 1 1 31 31 TYR H H 31 8.106 8.106 8.263 -0.157 25508 1108 1 3 . 1 1 32 32 GLU N N 32 117.126 117.126 115.147 1.979 25508 1109 1 3 . 1 1 32 32 GLU HA H 32 3.926 3.926 3.822 0.104 25508 1110 1 3 . 1 1 32 32 GLU C C 32 178.370 178.370 176.180 2.190 25508 1111 1 3 . 1 1 32 32 GLU CA C 32 58.603 58.603 56.189 2.414 25508 1112 1 3 . 1 1 32 32 GLU CB C 32 30.580 30.580 28.790 1.790 25508 1113 1 3 . 1 1 32 32 GLU H H 32 8.260 8.260 7.857 0.403 25508 1114 1 3 . 1 1 33 33 SER N N 33 108.887 108.887 115.029 -6.142 25508 1115 1 3 . 1 1 33 33 SER HA H 33 4.910 4.910 4.402 0.508 25508 1116 1 3 . 1 1 33 33 SER C C 33 171.776 171.776 173.788 -2.012 25508 1117 1 3 . 1 1 33 33 SER CA C 33 60.399 60.399 59.825 0.573 25508 1118 1 3 . 1 1 33 33 SER CB C 33 67.057 67.057 65.837 1.220 25508 1119 1 3 . 1 1 33 33 SER H H 33 7.553 7.553 7.918 -0.365 25508 1120 1 3 . 1 1 34 34 VAL N N 34 120.097 120.097 120.561 -0.464 25508 1121 1 3 . 1 1 34 34 VAL CA C 34 61.287 61.287 61.759 -0.472 25508 1122 1 3 . 1 1 34 34 VAL CB C 34 34.048 34.048 33.365 0.683 25508 1123 1 3 . 1 1 34 34 VAL H H 34 8.396 8.396 8.158 0.238 25508 1124 1 3 . 1 1 35 35 SER HA H 35 4.107 4.107 5.090 -0.983 25508 1125 1 3 . 1 1 35 35 SER C C 35 174.321 174.321 174.487 -0.166 25508 1126 1 3 . 1 1 35 35 SER CA C 35 58.771 58.771 56.276 2.495 25508 1127 1 3 . 1 1 35 35 SER CB C 35 66.899 66.899 66.349 0.550 25508 1128 1 3 . 1 1 36 36 LYS N N 36 119.115 119.115 121.973 -2.858 25508 1129 1 3 . 1 1 36 36 LYS HA H 36 4.016 4.016 4.124 -0.108 25508 1130 1 3 . 1 1 36 36 LYS C C 36 179.407 179.407 178.507 0.900 25508 1131 1 3 . 1 1 36 36 LYS CA C 36 60.728 60.728 58.723 2.005 25508 1132 1 3 . 1 1 36 36 LYS CB C 36 32.746 32.746 32.531 0.215 25508 1133 1 3 . 1 1 36 36 LYS H H 36 8.562 8.562 8.208 0.354 25508 1134 1 3 . 1 1 37 37 GLN N N 37 118.142 118.142 118.402 -0.260 25508 1135 1 3 . 1 1 37 37 GLN HA H 37 3.970 3.970 4.194 -0.224 25508 1136 1 3 . 1 1 37 37 GLN C C 37 177.580 177.580 177.482 0.098 25508 1137 1 3 . 1 1 37 37 GLN CA C 37 59.134 59.134 58.388 0.746 25508 1138 1 3 . 1 1 37 37 GLN CB C 37 28.534 28.534 28.278 0.256 25508 1139 1 3 . 1 1 37 37 GLN H H 37 8.958 8.958 8.560 0.398 25508 1140 1 3 . 1 1 38 38 ALA N N 38 121.173 121.173 121.505 -0.332 25508 1141 1 3 . 1 1 38 38 ALA HA H 38 4.409 4.409 4.365 0.044 25508 1142 1 3 . 1 1 38 38 ALA C C 38 181.081 181.081 178.985 2.096 25508 1143 1 3 . 1 1 38 38 ALA CA C 38 55.065 55.065 53.002 2.063 25508 1144 1 3 . 1 1 38 38 ALA CB C 38 19.574 19.574 18.139 1.435 25508 1145 1 3 . 1 1 38 38 ALA H H 38 8.233 8.233 7.699 0.534 25508 1146 1 3 . 1 1 39 39 TRP N N 39 121.046 121.046 121.446 -0.400 25508 1147 1 3 . 1 1 39 39 TRP HA H 39 4.898 4.898 4.265 0.633 25508 1148 1 3 . 1 1 39 39 TRP C C 39 176.886 176.886 177.506 -0.620 25508 1149 1 3 . 1 1 39 39 TRP CA C 39 60.403 60.403 61.132 -0.729 25508 1150 1 3 . 1 1 39 39 TRP CB C 39 30.640 30.640 29.463 1.177 25508 1151 1 3 . 1 1 39 39 TRP H H 39 8.891 8.891 7.979 0.912 25508 1152 1 3 . 1 1 40 40 GLN N N 40 117.010 117.010 115.580 1.430 25508 1153 1 3 . 1 1 40 40 GLN HA H 40 3.715 3.715 3.885 -0.170 25508 1154 1 3 . 1 1 40 40 GLN C C 40 179.512 179.512 178.430 1.082 25508 1155 1 3 . 1 1 40 40 GLN CA C 40 59.159 59.159 58.922 0.237 25508 1156 1 3 . 1 1 40 40 GLN CB C 40 27.821 27.821 27.842 -0.021 25508 1157 1 3 . 1 1 40 40 GLN H H 40 8.541 8.541 8.181 0.360 25508 1158 1 3 . 1 1 41 41 ASP N N 41 120.036 120.036 120.474 -0.438 25508 1159 1 3 . 1 1 41 41 ASP HA H 41 4.396 4.396 4.408 -0.012 25508 1160 1 3 . 1 1 41 41 ASP C C 41 179.637 179.637 177.677 1.960 25508 1161 1 3 . 1 1 41 41 ASP CA C 41 57.571 57.571 57.149 0.422 25508 1162 1 3 . 1 1 41 41 ASP CB C 41 40.205 40.205 40.780 -0.575 25508 1163 1 3 . 1 1 41 41 ASP H H 41 8.119 8.119 8.092 0.027 25508 1164 1 3 . 1 1 42 42 TRP N N 42 123.295 123.295 119.398 3.897 25508 1165 1 3 . 1 1 42 42 TRP HA H 42 3.992 3.992 4.234 -0.242 25508 1166 1 3 . 1 1 42 42 TRP C C 42 176.559 176.559 177.541 -0.982 25508 1167 1 3 . 1 1 42 42 TRP CA C 42 58.825 58.825 59.489 -0.664 25508 1168 1 3 . 1 1 42 42 TRP CB C 42 30.101 30.101 29.610 0.491 25508 1169 1 3 . 1 1 42 42 TRP H H 42 8.015 8.015 8.118 -0.103 25508 1170 1 3 . 1 1 43 43 LEU N N 43 118.444 118.444 116.664 1.780 25508 1171 1 3 . 1 1 43 43 LEU HA H 43 3.073 3.073 3.671 -0.598 25508 1172 1 3 . 1 1 43 43 LEU C C 43 180.127 180.127 178.218 1.909 25508 1173 1 3 . 1 1 43 43 LEU CA C 43 57.710 57.710 56.067 1.643 25508 1174 1 3 . 1 1 43 43 LEU CB C 43 40.675 40.675 41.188 -0.513 25508 1175 1 3 . 1 1 43 43 LEU H H 43 8.027 8.027 7.186 0.841 25508 1176 1 3 . 1 1 44 44 LYS N N 44 117.577 117.577 120.483 -2.906 25508 1177 1 3 . 1 1 44 44 LYS HA H 44 3.871 3.871 3.932 -0.061 25508 1178 1 3 . 1 1 44 44 LYS C C 44 179.010 179.010 178.314 0.696 25508 1179 1 3 . 1 1 44 44 LYS CA C 44 59.496 59.496 58.904 0.592 25508 1180 1 3 . 1 1 44 44 LYS CB C 44 32.301 32.301 32.012 0.289 25508 1181 1 3 . 1 1 44 44 LYS H H 44 7.065 7.065 7.227 -0.162 25508 1182 1 3 . 1 1 45 45 GLN N N 45 120.755 120.755 118.015 2.740 25508 1183 1 3 . 1 1 45 45 GLN HA H 45 3.834 3.834 3.958 -0.124 25508 1184 1 3 . 1 1 45 45 GLN C C 45 177.807 177.807 178.075 -0.268 25508 1185 1 3 . 1 1 45 45 GLN CA C 45 57.760 57.760 58.672 -0.912 25508 1186 1 3 . 1 1 45 45 GLN CB C 45 27.623 27.623 27.990 -0.367 25508 1187 1 3 . 1 1 45 45 GLN H H 45 7.033 7.033 7.849 -0.816 25508 1188 1 3 . 1 1 46 46 GLN N N 46 120.768 120.768 119.521 1.247 25508 1189 1 3 . 1 1 46 46 GLN HA H 46 3.065 3.065 3.631 -0.566 25508 1190 1 3 . 1 1 46 46 GLN C C 46 177.167 177.167 178.223 -1.056 25508 1191 1 3 . 1 1 46 46 GLN CA C 46 59.136 59.136 59.272 -0.136 25508 1192 1 3 . 1 1 46 46 GLN CB C 46 28.416 28.416 27.846 0.570 25508 1193 1 3 . 1 1 46 46 GLN H H 46 8.346 8.346 7.546 0.800 25508 1194 1 3 . 1 1 47 47 THR N N 47 114.925 114.925 115.229 -0.304 25508 1195 1 3 . 1 1 47 47 THR HA H 47 3.690 3.690 4.011 -0.321 25508 1196 1 3 . 1 1 47 47 THR C C 47 175.615 175.615 176.214 -0.599 25508 1197 1 3 . 1 1 47 47 THR CA C 47 66.804 66.804 66.669 0.134 25508 1198 1 3 . 1 1 47 47 THR CB C 47 68.895 68.895 68.567 0.328 25508 1199 1 3 . 1 1 47 47 THR H H 47 7.629 7.629 7.318 0.311 25508 1200 1 3 . 1 1 48 48 MET N N 48 120.050 120.050 122.048 -1.998 25508 1201 1 3 . 1 1 48 48 MET HA H 48 4.117 4.117 4.106 0.011 25508 1202 1 3 . 1 1 48 48 MET C C 48 177.928 177.928 178.557 -0.629 25508 1203 1 3 . 1 1 48 48 MET CA C 48 59.041 59.041 58.637 0.404 25508 1204 1 3 . 1 1 48 48 MET CB C 48 31.985 31.985 32.215 -0.230 25508 1205 1 3 . 1 1 48 48 MET H H 48 7.077 7.077 7.699 -0.622 25508 1206 1 3 . 1 1 49 49 LEU N N 49 120.156 120.156 119.387 0.769 25508 1207 1 3 . 1 1 49 49 LEU HA H 49 3.991 3.991 4.192 -0.201 25508 1208 1 3 . 1 1 49 49 LEU C C 49 180.284 180.284 179.600 0.684 25508 1209 1 3 . 1 1 49 49 LEU CA C 49 58.157 58.157 58.289 -0.132 25508 1210 1 3 . 1 1 49 49 LEU CB C 49 42.723 42.723 41.236 1.487 25508 1211 1 3 . 1 1 49 49 LEU H H 49 7.982 7.982 8.552 -0.570 25508 1212 1 3 . 1 1 50 50 ILE N N 50 119.987 119.987 120.339 -0.352 25508 1213 1 3 . 1 1 50 50 ILE HA H 50 3.487 3.487 3.500 -0.013 25508 1214 1 3 . 1 1 50 50 ILE C C 50 178.074 178.074 177.801 0.273 25508 1215 1 3 . 1 1 50 50 ILE CA C 50 65.734 65.734 65.668 0.066 25508 1216 1 3 . 1 1 50 50 ILE CB C 50 38.622 38.622 37.561 1.061 25508 1217 1 3 . 1 1 50 50 ILE H H 50 8.275 8.275 7.684 0.591 25508 1218 1 3 . 1 1 51 51 ASN N N 51 117.331 117.331 116.053 1.278 25508 1219 1 3 . 1 1 51 51 ASN HA H 51 4.493 4.493 4.499 -0.006 25508 1220 1 3 . 1 1 51 51 ASN C C 51 178.621 178.621 176.776 1.845 25508 1221 1 3 . 1 1 51 51 ASN CA C 51 55.787 55.787 55.922 -0.135 25508 1222 1 3 . 1 1 51 51 ASN CB C 51 38.273 38.273 38.829 -0.556 25508 1223 1 3 . 1 1 51 51 ASN H H 51 7.902 7.902 8.408 -0.506 25508 1224 1 3 . 1 1 52 52 GLU N N 52 120.128 120.128 119.873 0.255 25508 1225 1 3 . 1 1 52 52 GLU HA H 52 4.006 4.006 4.233 -0.227 25508 1226 1 3 . 1 1 52 52 GLU C C 52 177.628 177.628 178.036 -0.408 25508 1227 1 3 . 1 1 52 52 GLU CA C 52 59.034 59.034 58.588 0.446 25508 1228 1 3 . 1 1 52 52 GLU CB C 52 29.714 29.714 30.259 -0.545 25508 1229 1 3 . 1 1 52 52 GLU H H 52 8.958 8.958 7.971 0.987 25508 1230 1 3 . 1 1 53 53 ASN N N 53 112.872 112.872 114.694 -1.822 25508 1231 1 3 . 1 1 53 53 ASN HA H 53 4.666 4.666 4.637 0.029 25508 1232 1 3 . 1 1 53 53 ASN C C 53 173.022 173.022 174.786 -1.764 25508 1233 1 3 . 1 1 53 53 ASN CA C 53 53.416 53.416 53.914 -0.498 25508 1234 1 3 . 1 1 53 53 ASN CB C 53 38.938 38.938 39.268 -0.330 25508 1235 1 3 . 1 1 53 53 ASN H H 53 7.535 7.535 8.202 -0.667 25508 1236 1 3 . 1 1 54 54 ARG N N 54 118.579 118.579 115.584 2.995 25508 1237 1 3 . 1 1 54 54 ARG HA H 54 3.975 3.975 4.067 -0.092 25508 1238 1 3 . 1 1 54 54 ARG C C 54 176.170 176.170 175.347 0.823 25508 1239 1 3 . 1 1 54 54 ARG CA C 54 56.615 56.615 56.561 0.054 25508 1240 1 3 . 1 1 54 54 ARG CB C 54 27.180 27.180 26.951 0.229 25508 1241 1 3 . 1 1 54 54 ARG H H 54 7.696 7.696 7.588 0.108 25508 1242 1 3 . 1 1 55 55 LEU N N 55 116.705 116.705 118.617 -1.912 25508 1243 1 3 . 1 1 55 55 LEU HA H 55 4.097 4.097 4.243 -0.146 25508 1244 1 3 . 1 1 55 55 LEU C C 55 176.242 176.242 177.217 -0.975 25508 1245 1 3 . 1 1 55 55 LEU CA C 55 55.099 55.099 54.236 0.863 25508 1246 1 3 . 1 1 55 55 LEU CB C 55 42.694 42.694 42.539 0.155 25508 1247 1 3 . 1 1 55 55 LEU H H 55 7.927 7.927 7.510 0.417 25508 1248 1 3 . 1 1 56 56 ASN N N 56 120.616 120.616 118.547 2.069 25508 1249 1 3 . 1 1 56 56 ASN HA H 56 4.708 4.708 4.947 -0.239 25508 1250 1 3 . 1 1 56 56 ASN C C 56 176.058 176.058 175.871 0.187 25508 1251 1 3 . 1 1 56 56 ASN CA C 56 51.440 51.440 52.023 -0.583 25508 1252 1 3 . 1 1 56 56 ASN CB C 56 38.554 38.554 38.681 -0.127 25508 1253 1 3 . 1 1 56 56 ASN H H 56 8.530 8.530 8.558 -0.028 25508 1254 1 3 . 1 1 57 57 MET N N 57 121.659 121.659 123.188 -1.529 25508 1255 1 3 . 1 1 57 57 MET HA H 57 4.341 4.341 4.043 0.298 25508 1256 1 3 . 1 1 57 57 MET C C 57 176.694 176.694 177.836 -1.142 25508 1257 1 3 . 1 1 57 57 MET CA C 57 55.717 55.717 59.084 -3.367 25508 1258 1 3 . 1 1 57 57 MET CB C 57 30.266 30.266 32.675 -2.409 25508 1259 1 3 . 1 1 57 57 MET H H 57 8.628 8.628 8.461 0.167 25508 1260 1 3 . 1 1 58 58 ALA N N 58 120.515 120.515 119.751 0.764 25508 1261 1 3 . 1 1 58 58 ALA HA H 58 4.267 4.267 4.136 0.131 25508 1262 1 3 . 1 1 58 58 ALA C C 58 177.625 177.625 177.701 -0.076 25508 1263 1 3 . 1 1 58 58 ALA CA C 58 52.643 52.643 53.467 -0.823 25508 1264 1 3 . 1 1 58 58 ALA CB C 58 18.667 18.667 18.543 0.124 25508 1265 1 3 . 1 1 58 58 ALA H H 58 7.988 7.988 8.021 -0.033 25508 1266 1 3 . 1 1 59 59 ASP N N 59 121.926 121.926 116.854 5.072 25508 1267 1 3 . 1 1 59 59 ASP CA C 59 50.871 50.871 51.767 -0.896 25508 1268 1 3 . 1 1 59 59 ASP CB C 59 42.450 42.450 42.416 0.034 25508 1269 1 3 . 1 1 59 59 ASP H H 59 8.024 8.024 7.944 0.080 25508 1270 1 3 . 1 1 60 60 PRO HA H 60 4.186 4.186 4.399 -0.213 25508 1271 1 3 . 1 1 60 60 PRO C C 60 179.232 179.232 178.063 1.169 25508 1272 1 3 . 1 1 60 60 PRO CA C 60 65.347 65.347 64.334 1.013 25508 1273 1 3 . 1 1 60 60 PRO CB C 60 32.399 32.399 32.326 0.073 25508 1274 1 3 . 1 1 61 61 ARG N N 61 117.390 117.390 118.801 -1.411 25508 1275 1 3 . 1 1 61 61 ARG HA H 61 4.107 4.107 4.143 -0.036 25508 1276 1 3 . 1 1 61 61 ARG C C 61 179.817 179.817 178.136 1.681 25508 1277 1 3 . 1 1 61 61 ARG CA C 61 59.098 59.098 58.909 0.189 25508 1278 1 3 . 1 1 61 61 ARG CB C 61 29.670 29.670 29.104 0.566 25508 1279 1 3 . 1 1 61 61 ARG H H 61 8.597 8.597 8.569 0.028 25508 1280 1 3 . 1 1 62 62 ALA N N 62 124.172 124.172 120.187 3.985 25508 1281 1 3 . 1 1 62 62 ALA HA H 62 4.201 4.201 4.302 -0.101 25508 1282 1 3 . 1 1 62 62 ALA C C 62 179.726 179.726 179.609 0.117 25508 1283 1 3 . 1 1 62 62 ALA CA C 62 55.011 55.011 54.397 0.614 25508 1284 1 3 . 1 1 62 62 ALA CB C 62 19.251 19.251 18.495 0.756 25508 1285 1 3 . 1 1 62 62 ALA H H 62 7.597 7.597 7.608 -0.011 25508 1286 1 3 . 1 1 63 63 ARG N N 63 116.483 116.483 117.776 -1.293 25508 1287 1 3 . 1 1 63 63 ARG HA H 63 3.985 3.985 4.322 -0.337 25508 1288 1 3 . 1 1 63 63 ARG C C 63 179.234 179.234 178.674 0.560 25508 1289 1 3 . 1 1 63 63 ARG CA C 63 60.029 60.029 57.721 2.308 25508 1290 1 3 . 1 1 63 63 ARG CB C 63 29.806 29.806 29.628 0.177 25508 1291 1 3 . 1 1 63 63 ARG H H 63 7.640 7.640 7.902 -0.262 25508 1292 1 3 . 1 1 64 64 GLN N N 64 119.143 119.143 119.280 -0.137 25508 1293 1 3 . 1 1 64 64 GLN HA H 64 4.095 4.095 4.191 -0.096 25508 1294 1 3 . 1 1 64 64 GLN C C 64 178.261 178.261 177.672 0.589 25508 1295 1 3 . 1 1 64 64 GLN CA C 64 59.183 59.183 58.500 0.683 25508 1296 1 3 . 1 1 64 64 GLN CB C 64 28.266 28.266 29.089 -0.823 25508 1297 1 3 . 1 1 64 64 GLN H H 64 8.114 8.114 8.299 -0.184 25508 1298 1 3 . 1 1 65 65 TYR N N 65 121.413 121.413 119.838 1.575 25508 1299 1 3 . 1 1 65 65 TYR HA H 65 4.321 4.321 4.332 -0.011 25508 1300 1 3 . 1 1 65 65 TYR C C 65 180.478 180.478 177.614 2.864 25508 1301 1 3 . 1 1 65 65 TYR CA C 65 61.407 61.407 60.956 0.451 25508 1302 1 3 . 1 1 65 65 TYR CB C 65 37.831 37.831 38.747 -0.916 25508 1303 1 3 . 1 1 65 65 TYR H H 65 7.929 7.929 7.699 0.230 25508 1304 1 3 . 1 1 66 66 LEU N N 66 119.499 119.499 120.109 -0.610 25508 1305 1 3 . 1 1 66 66 LEU HA H 66 3.870 3.870 3.981 -0.111 25508 1306 1 3 . 1 1 66 66 LEU C C 66 180.847 180.847 179.027 1.820 25508 1307 1 3 . 1 1 66 66 LEU CA C 66 57.959 57.959 57.294 0.665 25508 1308 1 3 . 1 1 66 66 LEU CB C 66 41.522 41.522 42.110 -0.588 25508 1309 1 3 . 1 1 66 66 LEU H H 66 8.328 8.328 7.757 0.571 25508 1310 1 3 . 1 1 67 67 MET N N 67 122.316 122.316 117.773 4.543 25508 1311 1 3 . 1 1 67 67 MET HA H 67 4.100 4.100 4.137 -0.037 25508 1312 1 3 . 1 1 67 67 MET C C 67 178.402 178.402 177.613 0.789 25508 1313 1 3 . 1 1 67 67 MET CA C 67 59.693 59.693 58.878 0.815 25508 1314 1 3 . 1 1 67 67 MET CB C 67 32.202 32.202 32.336 -0.134 25508 1315 1 3 . 1 1 67 67 MET H H 67 8.480 8.480 7.798 0.682 25508 1316 1 3 . 1 1 68 68 LYS N N 68 120.460 120.460 117.141 3.319 25508 1317 1 3 . 1 1 68 68 LYS HA H 68 4.160 4.160 4.185 -0.025 25508 1318 1 3 . 1 1 68 68 LYS C C 68 179.963 179.963 178.856 1.107 25508 1319 1 3 . 1 1 68 68 LYS CA C 68 58.857 58.857 58.136 0.721 25508 1320 1 3 . 1 1 68 68 LYS CB C 68 31.276 31.276 31.944 -0.668 25508 1321 1 3 . 1 1 68 68 LYS H H 68 8.024 8.024 7.385 0.639 25508 1322 1 3 . 1 1 69 69 GLN N N 69 117.834 117.834 117.534 0.300 25508 1323 1 3 . 1 1 69 69 GLN HA H 69 3.858 3.858 4.360 -0.502 25508 1324 1 3 . 1 1 69 69 GLN C C 69 178.013 178.013 177.563 0.450 25508 1325 1 3 . 1 1 69 69 GLN CA C 69 58.097 58.097 57.828 0.269 25508 1326 1 3 . 1 1 69 69 GLN CB C 69 27.601 27.601 28.839 -1.238 25508 1327 1 3 . 1 1 69 69 GLN H H 69 8.281 8.281 8.048 0.233 25508 1328 1 3 . 1 1 70 70 THR N N 70 119.066 119.066 116.095 2.971 25508 1329 1 3 . 1 1 70 70 THR HA H 70 2.666 2.666 4.215 -1.549 25508 1330 1 3 . 1 1 70 70 THR C C 70 175.189 175.189 175.634 -0.445 25508 1331 1 3 . 1 1 70 70 THR CA C 70 66.732 66.732 65.576 1.156 25508 1332 1 3 . 1 1 70 70 THR CB C 70 68.451 68.451 68.713 -0.263 25508 1333 1 3 . 1 1 70 70 THR H H 70 8.245 8.245 7.764 0.481 25508 1334 1 3 . 1 1 71 71 GLU N N 71 121.112 121.112 122.012 -0.900 25508 1335 1 3 . 1 1 71 71 GLU HA H 71 3.873 3.873 4.161 -0.288 25508 1336 1 3 . 1 1 71 71 GLU C C 71 177.903 177.903 178.894 -0.991 25508 1337 1 3 . 1 1 71 71 GLU CA C 71 60.325 60.325 59.694 0.631 25508 1338 1 3 . 1 1 71 71 GLU CB C 71 30.065 30.065 29.709 0.356 25508 1339 1 3 . 1 1 71 71 GLU H H 71 7.872 7.872 8.094 -0.222 25508 1340 1 3 . 1 1 72 72 LYS N N 72 118.112 118.112 118.799 -0.687 25508 1341 1 3 . 1 1 72 72 LYS HA H 72 3.853 3.853 4.277 -0.424 25508 1342 1 3 . 1 1 72 72 LYS C C 72 178.447 178.447 179.026 -0.579 25508 1343 1 3 . 1 1 72 72 LYS CA C 72 59.199 59.199 58.495 0.704 25508 1344 1 3 . 1 1 72 72 LYS CB C 72 32.705 32.705 31.834 0.871 25508 1345 1 3 . 1 1 72 72 LYS H H 72 7.932 7.932 7.876 0.056 25508 1346 1 3 . 1 1 73 73 TYR N N 73 119.703 119.703 119.098 0.605 25508 1347 1 3 . 1 1 73 73 TYR HA H 73 3.704 3.704 4.252 -0.548 25508 1348 1 3 . 1 1 73 73 TYR C C 73 176.953 176.953 177.357 -0.404 25508 1349 1 3 . 1 1 73 73 TYR CA C 73 61.540 61.540 61.242 0.298 25508 1350 1 3 . 1 1 73 73 TYR CB C 73 38.266 38.266 38.587 -0.320 25508 1351 1 3 . 1 1 73 73 TYR H H 73 7.800 7.800 7.866 -0.066 25508 1352 1 3 . 1 1 74 74 PHE N N 74 111.749 111.749 118.136 -6.387 25508 1353 1 3 . 1 1 74 74 PHE HA H 74 3.886 3.886 4.267 -0.381 25508 1354 1 3 . 1 1 74 74 PHE C C 74 176.300 176.300 176.991 -0.691 25508 1355 1 3 . 1 1 74 74 PHE CA C 74 61.784 61.784 58.942 2.842 25508 1356 1 3 . 1 1 74 74 PHE CB C 74 39.690 39.690 39.977 -0.287 25508 1357 1 3 . 1 1 74 74 PHE H H 74 7.139 7.139 7.705 -0.566 25508 1358 1 3 . 1 1 75 75 PHE N N 75 114.845 114.845 117.210 -2.365 25508 1359 1 3 . 1 1 75 75 PHE HA H 75 5.009 5.009 3.994 1.015 25508 1360 1 3 . 1 1 75 75 PHE C C 75 176.448 176.448 176.566 -0.118 25508 1361 1 3 . 1 1 75 75 PHE CA C 75 56.575 56.575 59.387 -2.812 25508 1362 1 3 . 1 1 75 75 PHE CB C 75 40.353 40.353 38.990 1.363 25508 1363 1 3 . 1 1 75 75 PHE H H 75 8.275 8.275 7.981 0.294 25508 1364 1 3 . 1 1 76 76 GLY N N 76 109.977 109.977 107.707 2.270 25508 1365 1 3 . 1 1 76 76 GLY C C 76 173.602 173.602 174.303 -0.701 25508 1366 1 3 . 1 1 76 76 GLY CA C 76 45.375 45.375 45.935 -0.561 25508 1367 1 3 . 1 1 76 76 GLY H H 76 7.836 7.836 7.851 -0.015 25508 1368 1 3 . 1 1 77 77 GLU N N 77 120.068 120.068 116.785 3.283 25508 1369 1 3 . 1 1 77 77 GLU HA H 77 4.259 4.259 4.318 -0.059 25508 1370 1 3 . 1 1 77 77 GLU C C 77 176.925 176.925 176.836 0.089 25508 1371 1 3 . 1 1 77 77 GLU CA C 77 56.647 56.647 56.401 0.246 25508 1372 1 3 . 1 1 77 77 GLU CB C 77 30.694 30.694 30.349 0.345 25508 1373 1 3 . 1 1 77 77 GLU H H 77 8.445 8.445 7.933 0.512 25508 1374 1 3 . 1 1 78 78 GLY N N 78 110.135 110.135 109.404 0.731 25508 1375 1 3 . 1 1 78 78 GLY C C 78 174.241 174.241 173.623 0.618 25508 1376 1 3 . 1 1 78 78 GLY CA C 78 45.368 45.368 45.173 0.195 25508 1377 1 3 . 1 1 78 78 GLY H H 78 8.457 8.457 8.296 0.162 25508 1378 1 3 . 1 1 79 79 ALA N N 79 123.773 123.773 121.870 1.903 25508 1379 1 3 . 1 1 79 79 ALA HA H 79 4.208 4.208 4.750 -0.542 25508 1380 1 3 . 1 1 79 79 ALA C C 79 177.657 177.657 175.693 1.964 25508 1381 1 3 . 1 1 79 79 ALA CA C 79 52.782 52.782 51.356 1.426 25508 1382 1 3 . 1 1 79 79 ALA CB C 79 19.145 19.145 21.070 -1.925 25508 1383 1 3 . 1 1 79 79 ALA H H 79 8.195 8.195 7.905 0.290 25508 1384 1 3 . 1 1 80 80 ASP N N 80 118.833 118.833 122.520 -3.687 25508 1385 1 3 . 1 1 80 80 ASP HA H 80 4.473 4.473 4.706 -0.233 25508 1386 1 3 . 1 1 80 80 ASP C C 80 176.374 176.374 175.299 1.075 25508 1387 1 3 . 1 1 80 80 ASP CA C 80 54.383 54.383 54.189 0.194 25508 1388 1 3 . 1 1 80 80 ASP CB C 80 40.940 40.940 44.149 -3.209 25508 1389 1 3 . 1 1 80 80 ASP H H 80 8.347 8.347 8.486 -0.139 25508 1390 1 3 . 1 1 81 81 GLN N N 81 120.376 120.376 123.232 -2.856 25508 1391 1 3 . 1 1 81 81 GLN HA H 81 4.225 4.225 4.250 -0.025 25508 1392 1 3 . 1 1 81 81 GLN C C 81 176.029 176.029 175.153 0.876 25508 1393 1 3 . 1 1 81 81 GLN CA C 81 55.969 55.969 56.934 -0.965 25508 1394 1 3 . 1 1 81 81 GLN CB C 81 29.242 29.242 29.445 -0.203 25508 1395 1 3 . 1 1 81 81 GLN H H 81 8.188 8.188 8.436 -0.248 25508 1396 1 3 . 1 1 82 82 ALA N N 82 124.734 124.734 123.762 0.972 25508 1397 1 3 . 1 1 82 82 ALA HA H 82 4.271 4.271 4.624 -0.353 25508 1398 1 3 . 1 1 82 82 ALA C C 82 178.011 178.011 176.560 1.451 25508 1399 1 3 . 1 1 82 82 ALA CA C 82 52.680 52.680 52.150 0.530 25508 1400 1 3 . 1 1 82 82 ALA CB C 82 19.023 19.023 20.215 -1.192 25508 1401 1 3 . 1 1 82 82 ALA H H 82 8.307 8.307 8.435 -0.128 25508 1402 1 3 . 1 1 83 83 SER N N 83 114.999 114.999 116.043 -1.044 25508 1403 1 3 . 1 1 83 83 SER HA H 83 4.368 4.368 4.629 -0.261 25508 1404 1 3 . 1 1 83 83 SER C C 83 175.141 175.141 173.496 1.645 25508 1405 1 3 . 1 1 83 83 SER CA C 83 58.843 58.843 58.763 0.080 25508 1406 1 3 . 1 1 83 83 SER CB C 83 63.849 63.849 64.494 -0.645 25508 1407 1 3 . 1 1 83 83 SER H H 83 8.269 8.269 8.480 -0.211 25508 1408 1 3 . 1 1 84 84 GLY N N 84 110.722 110.722 111.112 -0.390 25508 1409 1 3 . 1 1 84 84 GLY C C 84 173.457 173.457 172.213 1.244 25508 1410 1 3 . 1 1 84 84 GLY CA C 84 45.168 45.168 44.873 0.295 25508 1411 1 3 . 1 1 84 84 GLY H H 84 8.324 8.324 8.349 -0.025 25508 1412 1 3 . 1 1 85 85 TYR N N 85 121.054 121.054 120.336 0.718 25508 1413 1 3 . 1 1 85 85 TYR HA H 85 4.395 4.395 5.097 -0.702 25508 1414 1 3 . 1 1 85 85 TYR C C 85 174.866 174.866 175.709 -0.843 25508 1415 1 3 . 1 1 85 85 TYR CA C 85 58.433 58.433 57.309 1.124 25508 1416 1 3 . 1 1 85 85 TYR CB C 85 38.856 38.856 41.327 -2.470 25508 1417 1 3 . 1 1 85 85 TYR H H 85 7.982 7.982 8.439 -0.457 25508 1418 1 3 . 1 1 86 86 VAL N N 86 127.973 127.973 122.852 5.121 25508 1419 1 3 . 1 1 86 86 VAL CA C 86 58.815 58.815 60.742 -1.927 25508 1420 1 3 . 1 1 86 86 VAL CB C 86 33.360 33.360 31.555 1.805 25508 1421 1 3 . 1 1 86 86 VAL H H 86 7.734 7.734 8.552 -0.818 25508 1422 1 3 . 1 1 88 88 PRO HA H 88 4.320 4.320 4.455 -0.135 25508 1423 1 3 . 1 1 88 88 PRO C C 88 176.654 176.654 175.661 0.993 25508 1424 1 3 . 1 1 88 88 PRO CA C 88 62.735 62.735 62.681 0.054 25508 1425 1 3 . 1 1 88 88 PRO CB C 88 32.007 32.007 32.432 -0.425 25508 1426 1 3 . 1 1 89 89 ALA N N 89 124.497 124.497 121.666 2.831 25508 1427 1 3 . 1 1 89 89 ALA HA H 89 4.213 4.213 4.679 -0.466 25508 1428 1 3 . 1 1 89 89 ALA C C 89 177.739 177.739 176.444 1.295 25508 1429 1 3 . 1 1 89 89 ALA CA C 89 52.564 52.564 51.795 0.769 25508 1430 1 3 . 1 1 89 89 ALA CB C 89 19.103 19.103 20.544 -1.440 25508 1431 1 3 . 1 1 89 89 ALA H H 89 8.332 8.332 8.159 0.173 25508 1432 1 3 . 1 1 90 90 GLN N N 90 119.712 119.712 121.427 -1.715 25508 1433 1 3 . 1 1 90 90 GLN HA H 90 4.301 4.301 4.699 -0.398 25508 1434 1 3 . 1 1 90 90 GLN C C 90 175.302 175.302 175.977 -0.675 25508 1435 1 3 . 1 1 90 90 GLN CA C 90 55.717 55.717 55.563 0.154 25508 1436 1 3 . 1 1 90 90 GLN CB C 90 29.764 29.764 29.432 0.332 25508 1437 1 3 . 1 1 90 90 GLN H H 90 8.338 8.338 8.536 -0.198 25508 1438 1 4 . 1 1 2 2 ALA N N 2 125.581 125.581 125.919 -0.338 25508 1439 1 4 . 1 1 2 2 ALA HA H 2 4.204 4.204 4.444 -0.240 25508 1440 1 4 . 1 1 2 2 ALA C C 2 176.764 176.764 176.948 -0.184 25508 1441 1 4 . 1 1 2 2 ALA CA C 2 52.280 52.280 52.900 -0.620 25508 1442 1 4 . 1 1 2 2 ALA CB C 2 19.494 19.494 19.578 -0.084 25508 1443 1 4 . 1 1 2 2 ALA H H 2 8.203 8.203 8.875 -0.672 25508 1444 1 4 . 1 1 3 3 ARG N N 3 123.058 123.058 115.710 7.348 25508 1445 1 4 . 1 1 3 3 ARG HA H 3 4.247 4.247 4.393 -0.146 25508 1446 1 4 . 1 1 3 3 ARG C C 3 174.914 174.914 174.108 0.806 25508 1447 1 4 . 1 1 3 3 ARG CA C 3 55.678 55.678 55.674 0.004 25508 1448 1 4 . 1 1 3 3 ARG CB C 3 31.276 31.276 33.309 -2.033 25508 1449 1 4 . 1 1 3 3 ARG H H 3 8.649 8.649 7.719 0.930 25508 1450 1 4 . 1 1 4 4 MET N N 4 125.010 125.010 119.514 5.496 25508 1451 1 4 . 1 1 4 4 MET HA H 4 4.966 4.966 4.732 0.234 25508 1452 1 4 . 1 1 4 4 MET C C 4 176.144 176.144 175.103 1.041 25508 1453 1 4 . 1 1 4 4 MET CA C 4 53.311 53.311 55.132 -1.821 25508 1454 1 4 . 1 1 4 4 MET CB C 4 32.120 32.120 33.253 -1.133 25508 1455 1 4 . 1 1 4 4 MET H H 4 8.427 8.427 8.533 -0.106 25508 1456 1 4 . 1 1 5 5 ILE N N 5 117.850 117.850 119.618 -1.768 25508 1457 1 4 . 1 1 5 5 ILE HA H 5 4.623 4.623 4.684 -0.061 25508 1458 1 4 . 1 1 5 5 ILE C C 5 174.207 174.207 173.570 0.637 25508 1459 1 4 . 1 1 5 5 ILE CA C 5 58.353 58.353 58.812 -0.459 25508 1460 1 4 . 1 1 5 5 ILE CB C 5 42.910 42.910 41.969 0.941 25508 1461 1 4 . 1 1 5 5 ILE H H 5 8.860 8.860 8.556 0.304 25508 1462 1 4 . 1 1 6 6 HIS N N 6 120.378 120.378 120.914 -0.536 25508 1463 1 4 . 1 1 6 6 HIS HA H 6 4.301 4.301 4.944 -0.643 25508 1464 1 4 . 1 1 6 6 HIS C C 6 173.087 173.087 175.118 -2.031 25508 1465 1 4 . 1 1 6 6 HIS CA C 6 56.131 56.131 54.841 1.290 25508 1466 1 4 . 1 1 6 6 HIS CB C 6 28.508 28.508 29.586 -1.078 25508 1467 1 4 . 1 1 6 6 HIS H H 6 8.506 8.506 8.647 -0.141 25508 1468 1 4 . 1 1 7 7 CYS N N 7 131.021 131.021 127.208 3.813 25508 1469 1 4 . 1 1 7 7 CYS HA H 7 4.154 4.154 4.063 0.091 25508 1470 1 4 . 1 1 7 7 CYS C C 7 177.621 177.621 175.369 2.252 25508 1471 1 4 . 1 1 7 7 CYS CA C 7 61.346 61.346 59.323 2.023 25508 1472 1 4 . 1 1 7 7 CYS CB C 7 31.004 31.004 28.145 2.859 25508 1473 1 4 . 1 1 7 7 CYS H H 7 7.873 7.873 7.946 -0.073 25508 1474 1 4 . 1 1 8 8 ALA N N 8 133.325 133.325 130.422 2.903 25508 1475 1 4 . 1 1 8 8 ALA HA H 8 4.229 4.229 4.059 0.170 25508 1476 1 4 . 1 1 8 8 ALA C C 8 178.608 178.608 176.657 1.951 25508 1477 1 4 . 1 1 8 8 ALA CA C 8 54.478 54.478 52.971 1.507 25508 1478 1 4 . 1 1 8 8 ALA CB C 8 19.264 19.264 17.853 1.411 25508 1479 1 4 . 1 1 8 8 ALA H H 8 9.543 9.543 7.941 1.602 25508 1480 1 4 . 1 1 9 9 LYS N N 9 122.128 122.128 117.244 4.884 25508 1481 1 4 . 1 1 9 9 LYS CA C 9 56.353 56.353 57.345 -0.992 25508 1482 1 4 . 1 1 9 9 LYS CB C 9 33.619 33.619 33.373 0.245 25508 1483 1 4 . 1 1 9 9 LYS H H 9 9.739 9.739 7.559 2.180 25508 1484 1 4 . 1 1 10 10 LEU HA H 10 4.194 4.194 4.371 -0.177 25508 1485 1 4 . 1 1 10 10 LEU C C 10 178.870 178.870 178.025 0.845 25508 1486 1 4 . 1 1 10 10 LEU CA C 10 55.934 55.934 55.257 0.677 25508 1487 1 4 . 1 1 10 10 LEU CB C 10 42.693 42.693 43.052 -0.359 25508 1488 1 4 . 1 1 11 11 GLY N N 11 107.385 107.385 104.504 2.881 25508 1489 1 4 . 1 1 11 11 GLY C C 11 173.268 173.268 173.733 -0.465 25508 1490 1 4 . 1 1 11 11 GLY CA C 11 46.756 46.756 44.728 2.028 25508 1491 1 4 . 1 1 11 11 GLY H H 11 8.258 8.258 7.753 0.505 25508 1492 1 4 . 1 1 12 12 LYS N N 12 112.456 112.456 118.357 -5.901 25508 1493 1 4 . 1 1 12 12 LYS HA H 12 4.547 4.547 4.427 0.120 25508 1494 1 4 . 1 1 12 12 LYS C C 12 173.822 173.822 173.880 -0.058 25508 1495 1 4 . 1 1 12 12 LYS CA C 12 53.523 53.523 53.552 -0.029 25508 1496 1 4 . 1 1 12 12 LYS CB C 12 35.156 35.156 35.151 0.005 25508 1497 1 4 . 1 1 12 12 LYS H H 12 6.772 6.772 7.353 -0.581 25508 1498 1 4 . 1 1 13 13 GLU N N 13 121.058 121.058 119.684 1.374 25508 1499 1 4 . 1 1 13 13 GLU HA H 13 4.874 4.874 4.351 0.523 25508 1500 1 4 . 1 1 13 13 GLU C C 13 176.290 176.290 175.632 0.658 25508 1501 1 4 . 1 1 13 13 GLU CA C 13 56.291 56.291 56.166 0.125 25508 1502 1 4 . 1 1 13 13 GLU CB C 13 29.827 29.827 30.280 -0.453 25508 1503 1 4 . 1 1 13 13 GLU H H 13 8.402 8.402 8.464 -0.062 25508 1504 1 4 . 1 1 14 14 ALA N N 14 127.978 127.978 128.745 -0.767 25508 1505 1 4 . 1 1 14 14 ALA HA H 14 4.514 4.514 4.590 -0.076 25508 1506 1 4 . 1 1 14 14 ALA C C 14 175.156 175.156 175.567 -0.411 25508 1507 1 4 . 1 1 14 14 ALA CA C 14 51.437 51.437 50.465 0.972 25508 1508 1 4 . 1 1 14 14 ALA CB C 14 23.586 23.586 22.062 1.524 25508 1509 1 4 . 1 1 14 14 ALA H H 14 9.330 9.330 8.810 0.520 25508 1510 1 4 . 1 1 15 15 GLU N N 15 120.272 120.272 118.704 1.568 25508 1511 1 4 . 1 1 15 15 GLU HA H 15 4.573 4.573 4.500 0.073 25508 1512 1 4 . 1 1 15 15 GLU C C 15 178.292 178.292 177.119 1.173 25508 1513 1 4 . 1 1 15 15 GLU CA C 15 57.645 57.645 56.072 1.573 25508 1514 1 4 . 1 1 15 15 GLU CB C 15 30.016 30.016 30.559 -0.543 25508 1515 1 4 . 1 1 15 15 GLU H H 15 8.560 8.560 8.476 0.084 25508 1516 1 4 . 1 1 16 16 GLY N N 16 113.246 113.246 108.294 4.952 25508 1517 1 4 . 1 1 16 16 GLY C C 16 172.877 172.877 173.283 -0.406 25508 1518 1 4 . 1 1 16 16 GLY CA C 16 44.636 44.636 43.313 1.323 25508 1519 1 4 . 1 1 16 16 GLY H H 16 9.236 9.236 8.081 1.155 25508 1520 1 4 . 1 1 17 17 LEU N N 17 120.058 120.058 120.050 0.008 25508 1521 1 4 . 1 1 17 17 LEU HA H 17 3.960 3.960 3.856 0.104 25508 1522 1 4 . 1 1 17 17 LEU C C 17 177.457 177.457 176.391 1.066 25508 1523 1 4 . 1 1 17 17 LEU CA C 17 55.375 55.375 55.464 -0.089 25508 1524 1 4 . 1 1 17 17 LEU CB C 17 43.355 43.355 42.470 0.885 25508 1525 1 4 . 1 1 17 17 LEU H H 17 9.482 9.482 7.933 1.549 25508 1526 1 4 . 1 1 18 18 ASP N N 18 118.600 118.600 117.476 1.124 25508 1527 1 4 . 1 1 18 18 ASP HA H 18 4.531 4.531 4.629 -0.098 25508 1528 1 4 . 1 1 18 18 ASP C C 18 175.929 175.929 174.064 1.865 25508 1529 1 4 . 1 1 18 18 ASP CA C 18 56.544 56.544 53.647 2.897 25508 1530 1 4 . 1 1 18 18 ASP CB C 18 41.655 41.655 41.091 0.564 25508 1531 1 4 . 1 1 18 18 ASP H H 18 8.848 8.848 7.469 1.379 25508 1532 1 4 . 1 1 19 19 PHE N N 19 113.195 113.195 114.660 -1.465 25508 1533 1 4 . 1 1 19 19 PHE CA C 19 55.070 55.070 55.176 -0.106 25508 1534 1 4 . 1 1 19 19 PHE CB C 19 38.588 38.588 38.238 0.350 25508 1535 1 4 . 1 1 19 19 PHE H H 19 7.108 7.108 6.819 0.289 25508 1536 1 4 . 1 1 21 21 PRO HA H 21 4.357 4.357 4.608 -0.251 25508 1537 1 4 . 1 1 21 21 PRO C C 21 174.627 174.627 176.410 -1.783 25508 1538 1 4 . 1 1 21 21 PRO CA C 21 63.914 63.914 64.305 -0.391 25508 1539 1 4 . 1 1 21 21 PRO CB C 21 31.431 31.431 33.043 -1.612 25508 1540 1 4 . 1 1 22 22 LEU N N 22 117.643 117.643 117.926 -0.283 25508 1541 1 4 . 1 1 22 22 LEU CA C 22 51.462 51.462 51.796 -0.334 25508 1542 1 4 . 1 1 22 22 LEU CB C 22 46.011 46.011 45.581 0.430 25508 1543 1 4 . 1 1 22 22 LEU H H 22 6.788 6.788 7.583 -0.795 25508 1544 1 4 . 1 1 24 24 GLY N N 24 105.443 105.443 112.841 -7.398 25508 1545 1 4 . 1 1 24 24 GLY C C 24 175.297 175.297 174.229 1.068 25508 1546 1 4 . 1 1 24 24 GLY CA C 24 45.381 45.381 45.477 -0.096 25508 1547 1 4 . 1 1 24 24 GLY H H 24 8.367 8.367 7.567 0.800 25508 1548 1 4 . 1 1 25 25 GLU N N 25 122.031 122.031 119.422 2.609 25508 1549 1 4 . 1 1 25 25 GLU HA H 25 3.887 3.887 4.360 -0.473 25508 1550 1 4 . 1 1 25 25 GLU C C 25 179.015 179.015 177.420 1.595 25508 1551 1 4 . 1 1 25 25 GLU CA C 25 59.283 59.283 57.851 1.432 25508 1552 1 4 . 1 1 25 25 GLU CB C 25 29.176 29.176 29.690 -0.514 25508 1553 1 4 . 1 1 25 25 GLU H H 25 8.737 8.737 8.820 -0.083 25508 1554 1 4 . 1 1 26 26 LEU N N 26 120.531 120.531 120.297 0.234 25508 1555 1 4 . 1 1 26 26 LEU HA H 26 4.104 4.104 4.173 -0.069 25508 1556 1 4 . 1 1 26 26 LEU C C 26 178.836 178.836 178.935 -0.099 25508 1557 1 4 . 1 1 26 26 LEU CA C 26 57.981 57.981 57.071 0.910 25508 1558 1 4 . 1 1 26 26 LEU CB C 26 40.939 40.939 41.841 -0.902 25508 1559 1 4 . 1 1 26 26 LEU H H 26 8.852 8.852 8.130 0.722 25508 1560 1 4 . 1 1 27 27 GLY N N 27 102.599 102.599 105.834 -3.235 25508 1561 1 4 . 1 1 27 27 GLY C C 27 175.874 175.874 175.791 0.083 25508 1562 1 4 . 1 1 27 27 GLY CA C 27 48.024 48.024 47.027 0.997 25508 1563 1 4 . 1 1 27 27 GLY H H 27 6.894 6.894 8.587 -1.693 25508 1564 1 4 . 1 1 28 28 LYS N N 28 122.738 122.738 120.773 1.965 25508 1565 1 4 . 1 1 28 28 LYS HA H 28 3.914 3.914 4.275 -0.361 25508 1566 1 4 . 1 1 28 28 LYS C C 28 177.965 177.965 178.593 -0.628 25508 1567 1 4 . 1 1 28 28 LYS CA C 28 59.844 59.844 59.150 0.694 25508 1568 1 4 . 1 1 28 28 LYS CB C 28 32.169 32.169 32.444 -0.275 25508 1569 1 4 . 1 1 28 28 LYS H H 28 7.449 7.449 7.574 -0.125 25508 1570 1 4 . 1 1 29 29 ARG N N 29 119.988 119.988 116.248 3.740 25508 1571 1 4 . 1 1 29 29 ARG HA H 29 3.998 3.998 4.279 -0.281 25508 1572 1 4 . 1 1 29 29 ARG CA C 29 59.876 59.876 57.154 2.722 25508 1573 1 4 . 1 1 29 29 ARG CB C 29 30.829 30.829 30.252 0.577 25508 1574 1 4 . 1 1 29 29 ARG H H 29 8.194 8.194 7.985 0.209 25508 1575 1 4 . 1 1 30 30 LEU N N 30 119.547 119.547 120.236 -0.689 25508 1576 1 4 . 1 1 30 30 LEU HA H 30 3.849 3.849 4.229 -0.380 25508 1577 1 4 . 1 1 30 30 LEU C C 30 177.351 177.351 178.844 -1.493 25508 1578 1 4 . 1 1 30 30 LEU CA C 30 58.068 58.068 57.650 0.418 25508 1579 1 4 . 1 1 30 30 LEU CB C 30 41.547 41.547 41.603 -0.056 25508 1580 1 4 . 1 1 30 30 LEU H H 30 8.333 8.333 7.943 0.390 25508 1581 1 4 . 1 1 31 31 TYR N N 31 118.033 118.033 116.861 1.172 25508 1582 1 4 . 1 1 31 31 TYR HA H 31 3.895 3.895 4.228 -0.333 25508 1583 1 4 . 1 1 31 31 TYR C C 31 178.434 178.434 176.170 2.264 25508 1584 1 4 . 1 1 31 31 TYR CA C 31 61.391 61.391 59.721 1.670 25508 1585 1 4 . 1 1 31 31 TYR CB C 31 39.083 39.083 38.062 1.021 25508 1586 1 4 . 1 1 31 31 TYR H H 31 8.106 8.106 7.829 0.277 25508 1587 1 4 . 1 1 32 32 GLU N N 32 117.126 117.126 115.543 1.583 25508 1588 1 4 . 1 1 32 32 GLU HA H 32 3.926 3.926 3.835 0.091 25508 1589 1 4 . 1 1 32 32 GLU C C 32 178.370 178.370 175.908 2.462 25508 1590 1 4 . 1 1 32 32 GLU CA C 32 58.603 58.603 56.401 2.202 25508 1591 1 4 . 1 1 32 32 GLU CB C 32 30.580 30.580 28.752 1.828 25508 1592 1 4 . 1 1 32 32 GLU H H 32 8.260 8.260 7.775 0.485 25508 1593 1 4 . 1 1 33 33 SER N N 33 108.887 108.887 114.344 -5.457 25508 1594 1 4 . 1 1 33 33 SER HA H 33 4.910 4.910 4.696 0.214 25508 1595 1 4 . 1 1 33 33 SER C C 33 171.776 171.776 173.804 -2.028 25508 1596 1 4 . 1 1 33 33 SER CA C 33 60.399 60.399 58.680 1.719 25508 1597 1 4 . 1 1 33 33 SER CB C 33 67.057 67.057 65.197 1.860 25508 1598 1 4 . 1 1 33 33 SER H H 33 7.553 7.553 7.205 0.348 25508 1599 1 4 . 1 1 34 34 VAL N N 34 120.097 120.097 121.655 -1.558 25508 1600 1 4 . 1 1 34 34 VAL CA C 34 61.287 61.287 63.586 -2.299 25508 1601 1 4 . 1 1 34 34 VAL CB C 34 34.048 34.048 32.803 1.245 25508 1602 1 4 . 1 1 34 34 VAL H H 34 8.396 8.396 8.113 0.283 25508 1603 1 4 . 1 1 35 35 SER HA H 35 4.107 4.107 5.028 -0.921 25508 1604 1 4 . 1 1 35 35 SER C C 35 174.321 174.321 174.610 -0.289 25508 1605 1 4 . 1 1 35 35 SER CA C 35 58.771 58.771 56.964 1.807 25508 1606 1 4 . 1 1 35 35 SER CB C 35 66.899 66.899 65.594 1.305 25508 1607 1 4 . 1 1 36 36 LYS N N 36 119.115 119.115 121.179 -2.064 25508 1608 1 4 . 1 1 36 36 LYS HA H 36 4.016 4.016 4.122 -0.106 25508 1609 1 4 . 1 1 36 36 LYS C C 36 179.407 179.407 178.356 1.051 25508 1610 1 4 . 1 1 36 36 LYS CA C 36 60.728 60.728 58.286 2.442 25508 1611 1 4 . 1 1 36 36 LYS CB C 36 32.746 32.746 32.423 0.323 25508 1612 1 4 . 1 1 36 36 LYS H H 36 8.562 8.562 8.670 -0.108 25508 1613 1 4 . 1 1 37 37 GLN N N 37 118.142 118.142 117.874 0.268 25508 1614 1 4 . 1 1 37 37 GLN HA H 37 3.970 3.970 4.276 -0.306 25508 1615 1 4 . 1 1 37 37 GLN C C 37 177.580 177.580 178.131 -0.551 25508 1616 1 4 . 1 1 37 37 GLN CA C 37 59.134 59.134 58.306 0.828 25508 1617 1 4 . 1 1 37 37 GLN CB C 37 28.534 28.534 28.472 0.062 25508 1618 1 4 . 1 1 37 37 GLN H H 37 8.958 8.958 8.147 0.811 25508 1619 1 4 . 1 1 38 38 ALA N N 38 121.173 121.173 123.143 -1.970 25508 1620 1 4 . 1 1 38 38 ALA HA H 38 4.409 4.409 4.198 0.211 25508 1621 1 4 . 1 1 38 38 ALA C C 38 181.081 181.081 178.972 2.109 25508 1622 1 4 . 1 1 38 38 ALA CA C 38 55.065 55.065 54.215 0.850 25508 1623 1 4 . 1 1 38 38 ALA CB C 38 19.574 19.574 18.066 1.508 25508 1624 1 4 . 1 1 38 38 ALA H H 38 8.233 8.233 8.059 0.174 25508 1625 1 4 . 1 1 39 39 TRP N N 39 121.046 121.046 119.869 1.177 25508 1626 1 4 . 1 1 39 39 TRP HA H 39 4.898 4.898 4.339 0.559 25508 1627 1 4 . 1 1 39 39 TRP C C 39 176.886 176.886 177.300 -0.414 25508 1628 1 4 . 1 1 39 39 TRP CA C 39 60.403 60.403 60.179 0.224 25508 1629 1 4 . 1 1 39 39 TRP CB C 39 30.640 30.640 29.602 1.038 25508 1630 1 4 . 1 1 39 39 TRP H H 39 8.891 8.891 8.303 0.588 25508 1631 1 4 . 1 1 40 40 GLN N N 40 117.010 117.010 115.370 1.640 25508 1632 1 4 . 1 1 40 40 GLN HA H 40 3.715 3.715 4.005 -0.290 25508 1633 1 4 . 1 1 40 40 GLN C C 40 179.512 179.512 177.857 1.655 25508 1634 1 4 . 1 1 40 40 GLN CA C 40 59.159 59.159 58.196 0.963 25508 1635 1 4 . 1 1 40 40 GLN CB C 40 27.821 27.821 28.201 -0.381 25508 1636 1 4 . 1 1 40 40 GLN H H 40 8.541 8.541 7.546 0.995 25508 1637 1 4 . 1 1 41 41 ASP N N 41 120.036 120.036 121.439 -1.403 25508 1638 1 4 . 1 1 41 41 ASP HA H 41 4.396 4.396 4.368 0.028 25508 1639 1 4 . 1 1 41 41 ASP C C 41 179.637 179.637 177.762 1.875 25508 1640 1 4 . 1 1 41 41 ASP CA C 41 57.571 57.571 57.360 0.211 25508 1641 1 4 . 1 1 41 41 ASP CB C 41 40.205 40.205 40.686 -0.481 25508 1642 1 4 . 1 1 41 41 ASP H H 41 8.119 8.119 7.457 0.662 25508 1643 1 4 . 1 1 42 42 TRP N N 42 123.295 123.295 120.995 2.300 25508 1644 1 4 . 1 1 42 42 TRP HA H 42 3.992 3.992 4.242 -0.250 25508 1645 1 4 . 1 1 42 42 TRP C C 42 176.559 176.559 178.095 -1.536 25508 1646 1 4 . 1 1 42 42 TRP CA C 42 58.825 58.825 61.345 -2.520 25508 1647 1 4 . 1 1 42 42 TRP CB C 42 30.101 30.101 29.398 0.703 25508 1648 1 4 . 1 1 42 42 TRP H H 42 8.015 8.015 8.061 -0.046 25508 1649 1 4 . 1 1 43 43 LEU N N 43 118.444 118.444 116.674 1.770 25508 1650 1 4 . 1 1 43 43 LEU HA H 43 3.073 3.073 3.959 -0.886 25508 1651 1 4 . 1 1 43 43 LEU C C 43 180.127 180.127 178.606 1.521 25508 1652 1 4 . 1 1 43 43 LEU CA C 43 57.710 57.710 56.033 1.677 25508 1653 1 4 . 1 1 43 43 LEU CB C 43 40.675 40.675 41.217 -0.542 25508 1654 1 4 . 1 1 43 43 LEU H H 43 8.027 8.027 7.005 1.022 25508 1655 1 4 . 1 1 44 44 LYS N N 44 117.577 117.577 120.463 -2.886 25508 1656 1 4 . 1 1 44 44 LYS HA H 44 3.871 3.871 3.942 -0.071 25508 1657 1 4 . 1 1 44 44 LYS C C 44 179.010 179.010 178.275 0.735 25508 1658 1 4 . 1 1 44 44 LYS CA C 44 59.496 59.496 58.727 0.769 25508 1659 1 4 . 1 1 44 44 LYS CB C 44 32.301 32.301 31.939 0.361 25508 1660 1 4 . 1 1 44 44 LYS H H 44 7.065 7.065 7.569 -0.504 25508 1661 1 4 . 1 1 45 45 GLN N N 45 120.755 120.755 118.024 2.731 25508 1662 1 4 . 1 1 45 45 GLN HA H 45 3.834 3.834 3.937 -0.103 25508 1663 1 4 . 1 1 45 45 GLN C C 45 177.807 177.807 178.225 -0.418 25508 1664 1 4 . 1 1 45 45 GLN CA C 45 57.760 57.760 58.653 -0.893 25508 1665 1 4 . 1 1 45 45 GLN CB C 45 27.623 27.623 27.917 -0.294 25508 1666 1 4 . 1 1 45 45 GLN H H 45 7.033 7.033 7.669 -0.636 25508 1667 1 4 . 1 1 46 46 GLN N N 46 120.768 120.768 119.212 1.556 25508 1668 1 4 . 1 1 46 46 GLN HA H 46 3.065 3.065 3.758 -0.693 25508 1669 1 4 . 1 1 46 46 GLN C C 46 177.167 177.167 178.121 -0.954 25508 1670 1 4 . 1 1 46 46 GLN CA C 46 59.136 59.136 59.361 -0.225 25508 1671 1 4 . 1 1 46 46 GLN CB C 46 28.416 28.416 28.105 0.311 25508 1672 1 4 . 1 1 46 46 GLN H H 46 8.346 8.346 7.620 0.726 25508 1673 1 4 . 1 1 47 47 THR N N 47 114.925 114.925 115.658 -0.733 25508 1674 1 4 . 1 1 47 47 THR HA H 47 3.690 3.690 4.023 -0.333 25508 1675 1 4 . 1 1 47 47 THR C C 47 175.615 175.615 176.230 -0.615 25508 1676 1 4 . 1 1 47 47 THR CA C 47 66.804 66.804 66.087 0.717 25508 1677 1 4 . 1 1 47 47 THR CB C 47 68.895 68.895 68.197 0.698 25508 1678 1 4 . 1 1 47 47 THR H H 47 7.629 7.629 7.385 0.244 25508 1679 1 4 . 1 1 48 48 MET N N 48 120.050 120.050 120.972 -0.922 25508 1680 1 4 . 1 1 48 48 MET HA H 48 4.117 4.117 4.055 0.062 25508 1681 1 4 . 1 1 48 48 MET C C 48 177.928 177.928 178.544 -0.616 25508 1682 1 4 . 1 1 48 48 MET CA C 48 59.041 59.041 59.770 -0.729 25508 1683 1 4 . 1 1 48 48 MET CB C 48 31.985 31.985 32.382 -0.397 25508 1684 1 4 . 1 1 48 48 MET H H 48 7.077 7.077 7.643 -0.566 25508 1685 1 4 . 1 1 49 49 LEU N N 49 120.156 120.156 119.851 0.305 25508 1686 1 4 . 1 1 49 49 LEU HA H 49 3.991 3.991 4.108 -0.117 25508 1687 1 4 . 1 1 49 49 LEU C C 49 180.284 180.284 179.221 1.063 25508 1688 1 4 . 1 1 49 49 LEU CA C 49 58.157 58.157 57.980 0.177 25508 1689 1 4 . 1 1 49 49 LEU CB C 49 42.723 42.723 41.001 1.722 25508 1690 1 4 . 1 1 49 49 LEU H H 49 7.982 7.982 8.660 -0.678 25508 1691 1 4 . 1 1 50 50 ILE N N 50 119.987 119.987 120.099 -0.112 25508 1692 1 4 . 1 1 50 50 ILE HA H 50 3.487 3.487 3.502 -0.015 25508 1693 1 4 . 1 1 50 50 ILE C C 50 178.074 178.074 177.745 0.329 25508 1694 1 4 . 1 1 50 50 ILE CA C 50 65.734 65.734 65.657 0.077 25508 1695 1 4 . 1 1 50 50 ILE CB C 50 38.622 38.622 37.555 1.067 25508 1696 1 4 . 1 1 50 50 ILE H H 50 8.275 8.275 8.038 0.237 25508 1697 1 4 . 1 1 51 51 ASN N N 51 117.331 117.331 117.058 0.273 25508 1698 1 4 . 1 1 51 51 ASN HA H 51 4.493 4.493 4.473 0.020 25508 1699 1 4 . 1 1 51 51 ASN C C 51 178.621 178.621 177.078 1.543 25508 1700 1 4 . 1 1 51 51 ASN CA C 51 55.787 55.787 55.772 0.015 25508 1701 1 4 . 1 1 51 51 ASN CB C 51 38.273 38.273 38.855 -0.582 25508 1702 1 4 . 1 1 51 51 ASN H H 51 7.902 7.902 8.324 -0.422 25508 1703 1 4 . 1 1 52 52 GLU N N 52 120.128 120.128 120.999 -0.871 25508 1704 1 4 . 1 1 52 52 GLU HA H 52 4.006 4.006 4.159 -0.153 25508 1705 1 4 . 1 1 52 52 GLU C C 52 177.628 177.628 177.816 -0.188 25508 1706 1 4 . 1 1 52 52 GLU CA C 52 59.034 59.034 59.090 -0.056 25508 1707 1 4 . 1 1 52 52 GLU CB C 52 29.714 29.714 29.854 -0.140 25508 1708 1 4 . 1 1 52 52 GLU H H 52 8.958 8.958 8.291 0.667 25508 1709 1 4 . 1 1 53 53 ASN N N 53 112.872 112.872 115.766 -2.894 25508 1710 1 4 . 1 1 53 53 ASN HA H 53 4.666 4.666 4.551 0.115 25508 1711 1 4 . 1 1 53 53 ASN C C 53 173.022 173.022 175.372 -2.350 25508 1712 1 4 . 1 1 53 53 ASN CA C 53 53.416 53.416 54.261 -0.845 25508 1713 1 4 . 1 1 53 53 ASN CB C 53 38.938 38.938 38.710 0.228 25508 1714 1 4 . 1 1 53 53 ASN H H 53 7.535 7.535 8.274 -0.739 25508 1715 1 4 . 1 1 54 54 ARG N N 54 118.579 118.579 115.558 3.021 25508 1716 1 4 . 1 1 54 54 ARG HA H 54 3.975 3.975 4.040 -0.065 25508 1717 1 4 . 1 1 54 54 ARG C C 54 176.170 176.170 175.532 0.638 25508 1718 1 4 . 1 1 54 54 ARG CA C 54 56.615 56.615 56.554 0.061 25508 1719 1 4 . 1 1 54 54 ARG CB C 54 27.180 27.180 27.338 -0.158 25508 1720 1 4 . 1 1 54 54 ARG H H 54 7.696 7.696 7.395 0.301 25508 1721 1 4 . 1 1 55 55 LEU N N 55 116.705 116.705 117.998 -1.293 25508 1722 1 4 . 1 1 55 55 LEU HA H 55 4.097 4.097 4.225 -0.128 25508 1723 1 4 . 1 1 55 55 LEU C C 55 176.242 176.242 177.280 -1.038 25508 1724 1 4 . 1 1 55 55 LEU CA C 55 55.099 55.099 54.100 0.999 25508 1725 1 4 . 1 1 55 55 LEU CB C 55 42.694 42.694 42.862 -0.168 25508 1726 1 4 . 1 1 55 55 LEU H H 55 7.927 7.927 7.566 0.361 25508 1727 1 4 . 1 1 56 56 ASN N N 56 120.616 120.616 118.742 1.874 25508 1728 1 4 . 1 1 56 56 ASN HA H 56 4.708 4.708 4.955 -0.247 25508 1729 1 4 . 1 1 56 56 ASN C C 56 176.058 176.058 175.690 0.368 25508 1730 1 4 . 1 1 56 56 ASN CA C 56 51.440 51.440 51.801 -0.361 25508 1731 1 4 . 1 1 56 56 ASN CB C 56 38.554 38.554 38.361 0.193 25508 1732 1 4 . 1 1 56 56 ASN H H 56 8.530 8.530 8.536 -0.006 25508 1733 1 4 . 1 1 57 57 MET N N 57 121.659 121.659 122.798 -1.139 25508 1734 1 4 . 1 1 57 57 MET HA H 57 4.341 4.341 4.073 0.268 25508 1735 1 4 . 1 1 57 57 MET C C 57 176.694 176.694 176.946 -0.252 25508 1736 1 4 . 1 1 57 57 MET CA C 57 55.717 55.717 58.584 -2.867 25508 1737 1 4 . 1 1 57 57 MET CB C 57 30.266 30.266 32.671 -2.405 25508 1738 1 4 . 1 1 57 57 MET H H 57 8.628 8.628 8.295 0.333 25508 1739 1 4 . 1 1 58 58 ALA N N 58 120.515 120.515 119.460 1.055 25508 1740 1 4 . 1 1 58 58 ALA HA H 58 4.267 4.267 4.173 0.094 25508 1741 1 4 . 1 1 58 58 ALA C C 58 177.625 177.625 177.765 -0.140 25508 1742 1 4 . 1 1 58 58 ALA CA C 58 52.643 52.643 53.304 -0.661 25508 1743 1 4 . 1 1 58 58 ALA CB C 58 18.667 18.667 18.773 -0.105 25508 1744 1 4 . 1 1 58 58 ALA H H 58 7.988 7.988 7.896 0.092 25508 1745 1 4 . 1 1 59 59 ASP N N 59 121.926 121.926 116.770 5.156 25508 1746 1 4 . 1 1 59 59 ASP CA C 59 50.871 50.871 51.695 -0.824 25508 1747 1 4 . 1 1 59 59 ASP CB C 59 42.450 42.450 42.030 0.420 25508 1748 1 4 . 1 1 59 59 ASP H H 59 8.024 8.024 7.908 0.116 25508 1749 1 4 . 1 1 60 60 PRO HA H 60 4.186 4.186 4.389 -0.203 25508 1750 1 4 . 1 1 60 60 PRO C C 60 179.232 179.232 178.056 1.176 25508 1751 1 4 . 1 1 60 60 PRO CA C 60 65.347 65.347 64.403 0.944 25508 1752 1 4 . 1 1 60 60 PRO CB C 60 32.399 32.399 32.384 0.015 25508 1753 1 4 . 1 1 61 61 ARG N N 61 117.390 117.390 118.709 -1.319 25508 1754 1 4 . 1 1 61 61 ARG HA H 61 4.107 4.107 4.110 -0.003 25508 1755 1 4 . 1 1 61 61 ARG C C 61 179.817 179.817 178.350 1.467 25508 1756 1 4 . 1 1 61 61 ARG CA C 61 59.098 59.098 58.753 0.345 25508 1757 1 4 . 1 1 61 61 ARG CB C 61 29.670 29.670 28.735 0.935 25508 1758 1 4 . 1 1 61 61 ARG H H 61 8.597 8.597 8.581 0.016 25508 1759 1 4 . 1 1 62 62 ALA N N 62 124.172 124.172 120.143 4.029 25508 1760 1 4 . 1 1 62 62 ALA HA H 62 4.201 4.201 4.350 -0.149 25508 1761 1 4 . 1 1 62 62 ALA C C 62 179.726 179.726 179.662 0.064 25508 1762 1 4 . 1 1 62 62 ALA CA C 62 55.011 55.011 54.304 0.707 25508 1763 1 4 . 1 1 62 62 ALA CB C 62 19.251 19.251 18.526 0.725 25508 1764 1 4 . 1 1 62 62 ALA H H 62 7.597 7.597 7.640 -0.043 25508 1765 1 4 . 1 1 63 63 ARG N N 63 116.483 116.483 118.099 -1.616 25508 1766 1 4 . 1 1 63 63 ARG HA H 63 3.985 3.985 4.327 -0.342 25508 1767 1 4 . 1 1 63 63 ARG C C 63 179.234 179.234 178.803 0.431 25508 1768 1 4 . 1 1 63 63 ARG CA C 63 60.029 60.029 57.666 2.363 25508 1769 1 4 . 1 1 63 63 ARG CB C 63 29.806 29.806 29.677 0.129 25508 1770 1 4 . 1 1 63 63 ARG H H 63 7.640 7.640 7.816 -0.176 25508 1771 1 4 . 1 1 64 64 GLN N N 64 119.143 119.143 118.935 0.208 25508 1772 1 4 . 1 1 64 64 GLN HA H 64 4.095 4.095 4.256 -0.161 25508 1773 1 4 . 1 1 64 64 GLN C C 64 178.261 178.261 177.236 1.025 25508 1774 1 4 . 1 1 64 64 GLN CA C 64 59.183 59.183 58.032 1.151 25508 1775 1 4 . 1 1 64 64 GLN CB C 64 28.266 28.266 29.136 -0.869 25508 1776 1 4 . 1 1 64 64 GLN H H 64 8.114 8.114 8.438 -0.324 25508 1777 1 4 . 1 1 65 65 TYR N N 65 121.413 121.413 119.971 1.442 25508 1778 1 4 . 1 1 65 65 TYR HA H 65 4.321 4.321 4.331 -0.010 25508 1779 1 4 . 1 1 65 65 TYR C C 65 180.478 180.478 177.646 2.832 25508 1780 1 4 . 1 1 65 65 TYR CA C 65 61.407 61.407 61.157 0.250 25508 1781 1 4 . 1 1 65 65 TYR CB C 65 37.831 37.831 38.855 -1.024 25508 1782 1 4 . 1 1 65 65 TYR H H 65 7.929 7.929 7.645 0.284 25508 1783 1 4 . 1 1 66 66 LEU N N 66 119.499 119.499 120.328 -0.829 25508 1784 1 4 . 1 1 66 66 LEU HA H 66 3.870 3.870 3.871 -0.001 25508 1785 1 4 . 1 1 66 66 LEU C C 66 180.847 180.847 179.135 1.712 25508 1786 1 4 . 1 1 66 66 LEU CA C 66 57.959 57.959 57.885 0.074 25508 1787 1 4 . 1 1 66 66 LEU CB C 66 41.522 41.522 41.986 -0.464 25508 1788 1 4 . 1 1 66 66 LEU H H 66 8.328 8.328 7.774 0.554 25508 1789 1 4 . 1 1 67 67 MET N N 67 122.316 122.316 116.690 5.626 25508 1790 1 4 . 1 1 67 67 MET HA H 67 4.100 4.100 4.257 -0.157 25508 1791 1 4 . 1 1 67 67 MET C C 67 178.402 178.402 177.898 0.504 25508 1792 1 4 . 1 1 67 67 MET CA C 67 59.693 59.693 58.818 0.875 25508 1793 1 4 . 1 1 67 67 MET CB C 67 32.202 32.202 32.413 -0.211 25508 1794 1 4 . 1 1 67 67 MET H H 67 8.480 8.480 7.812 0.668 25508 1795 1 4 . 1 1 68 68 LYS N N 68 120.460 120.460 117.633 2.827 25508 1796 1 4 . 1 1 68 68 LYS HA H 68 4.160 4.160 4.177 -0.017 25508 1797 1 4 . 1 1 68 68 LYS C C 68 179.963 179.963 179.041 0.922 25508 1798 1 4 . 1 1 68 68 LYS CA C 68 58.857 58.857 58.507 0.350 25508 1799 1 4 . 1 1 68 68 LYS CB C 68 31.276 31.276 31.858 -0.582 25508 1800 1 4 . 1 1 68 68 LYS H H 68 8.024 8.024 7.803 0.221 25508 1801 1 4 . 1 1 69 69 GLN N N 69 117.834 117.834 117.497 0.337 25508 1802 1 4 . 1 1 69 69 GLN HA H 69 3.858 3.858 4.289 -0.431 25508 1803 1 4 . 1 1 69 69 GLN C C 69 178.013 178.013 177.562 0.451 25508 1804 1 4 . 1 1 69 69 GLN CA C 69 58.097 58.097 57.820 0.277 25508 1805 1 4 . 1 1 69 69 GLN CB C 69 27.601 27.601 28.723 -1.122 25508 1806 1 4 . 1 1 69 69 GLN H H 69 8.281 8.281 8.092 0.189 25508 1807 1 4 . 1 1 70 70 THR N N 70 119.066 119.066 115.928 3.138 25508 1808 1 4 . 1 1 70 70 THR HA H 70 2.666 2.666 4.389 -1.723 25508 1809 1 4 . 1 1 70 70 THR C C 70 175.189 175.189 175.488 -0.299 25508 1810 1 4 . 1 1 70 70 THR CA C 70 66.732 66.732 65.617 1.115 25508 1811 1 4 . 1 1 70 70 THR CB C 70 68.451 68.451 68.959 -0.508 25508 1812 1 4 . 1 1 70 70 THR H H 70 8.245 8.245 7.802 0.443 25508 1813 1 4 . 1 1 71 71 GLU N N 71 121.112 121.112 121.863 -0.751 25508 1814 1 4 . 1 1 71 71 GLU HA H 71 3.873 3.873 4.129 -0.256 25508 1815 1 4 . 1 1 71 71 GLU C C 71 177.903 177.903 178.044 -0.141 25508 1816 1 4 . 1 1 71 71 GLU CA C 71 60.325 60.325 59.445 0.880 25508 1817 1 4 . 1 1 71 71 GLU CB C 71 30.065 30.065 29.777 0.288 25508 1818 1 4 . 1 1 71 71 GLU H H 71 7.872 7.872 8.282 -0.410 25508 1819 1 4 . 1 1 72 72 LYS N N 72 118.112 118.112 118.317 -0.205 25508 1820 1 4 . 1 1 72 72 LYS HA H 72 3.853 3.853 4.056 -0.203 25508 1821 1 4 . 1 1 72 72 LYS C C 72 178.447 178.447 178.315 0.132 25508 1822 1 4 . 1 1 72 72 LYS CA C 72 59.199 59.199 58.715 0.484 25508 1823 1 4 . 1 1 72 72 LYS CB C 72 32.705 32.705 32.026 0.679 25508 1824 1 4 . 1 1 72 72 LYS H H 72 7.932 7.932 7.628 0.304 25508 1825 1 4 . 1 1 73 73 TYR N N 73 119.703 119.703 119.910 -0.207 25508 1826 1 4 . 1 1 73 73 TYR HA H 73 3.704 3.704 4.225 -0.521 25508 1827 1 4 . 1 1 73 73 TYR C C 73 176.953 176.953 177.126 -0.173 25508 1828 1 4 . 1 1 73 73 TYR CA C 73 61.540 61.540 61.259 0.281 25508 1829 1 4 . 1 1 73 73 TYR CB C 73 38.266 38.266 38.451 -0.185 25508 1830 1 4 . 1 1 73 73 TYR H H 73 7.800 7.800 7.616 0.184 25508 1831 1 4 . 1 1 74 74 PHE N N 74 111.749 111.749 117.248 -5.499 25508 1832 1 4 . 1 1 74 74 PHE HA H 74 3.886 3.886 3.980 -0.094 25508 1833 1 4 . 1 1 74 74 PHE C C 74 176.300 176.300 176.803 -0.503 25508 1834 1 4 . 1 1 74 74 PHE CA C 74 61.784 61.784 59.417 2.367 25508 1835 1 4 . 1 1 74 74 PHE CB C 74 39.690 39.690 39.411 0.279 25508 1836 1 4 . 1 1 74 74 PHE H H 74 7.139 7.139 7.514 -0.375 25508 1837 1 4 . 1 1 75 75 PHE N N 75 114.845 114.845 118.196 -3.351 25508 1838 1 4 . 1 1 75 75 PHE HA H 75 5.009 5.009 4.082 0.927 25508 1839 1 4 . 1 1 75 75 PHE C C 75 176.448 176.448 176.373 0.075 25508 1840 1 4 . 1 1 75 75 PHE CA C 75 56.575 56.575 57.847 -1.272 25508 1841 1 4 . 1 1 75 75 PHE CB C 75 40.353 40.353 38.413 1.940 25508 1842 1 4 . 1 1 75 75 PHE H H 75 8.275 8.275 7.525 0.750 25508 1843 1 4 . 1 1 76 76 GLY N N 76 109.977 109.977 108.211 1.766 25508 1844 1 4 . 1 1 76 76 GLY C C 76 173.602 173.602 174.579 -0.977 25508 1845 1 4 . 1 1 76 76 GLY CA C 76 45.375 45.375 45.499 -0.124 25508 1846 1 4 . 1 1 76 76 GLY H H 76 7.836 7.836 7.708 0.128 25508 1847 1 4 . 1 1 77 77 GLU N N 77 120.068 120.068 123.529 -3.461 25508 1848 1 4 . 1 1 77 77 GLU HA H 77 4.259 4.259 4.005 0.254 25508 1849 1 4 . 1 1 77 77 GLU C C 77 176.925 176.925 178.462 -1.537 25508 1850 1 4 . 1 1 77 77 GLU CA C 77 56.647 56.647 58.393 -1.746 25508 1851 1 4 . 1 1 77 77 GLU CB C 77 30.694 30.694 29.482 1.212 25508 1852 1 4 . 1 1 77 77 GLU H H 77 8.445 8.445 8.524 -0.079 25508 1853 1 4 . 1 1 78 78 GLY N N 78 110.135 110.135 107.823 2.312 25508 1854 1 4 . 1 1 78 78 GLY C C 78 174.241 174.241 173.163 1.078 25508 1855 1 4 . 1 1 78 78 GLY CA C 78 45.368 45.368 44.386 0.982 25508 1856 1 4 . 1 1 78 78 GLY H H 78 8.457 8.457 7.864 0.593 25508 1857 1 4 . 1 1 79 79 ALA N N 79 123.773 123.773 121.623 2.150 25508 1858 1 4 . 1 1 79 79 ALA HA H 79 4.208 4.208 4.484 -0.276 25508 1859 1 4 . 1 1 79 79 ALA C C 79 177.657 177.657 175.391 2.266 25508 1860 1 4 . 1 1 79 79 ALA CA C 79 52.782 52.782 51.071 1.711 25508 1861 1 4 . 1 1 79 79 ALA CB C 79 19.145 19.145 20.706 -1.561 25508 1862 1 4 . 1 1 79 79 ALA H H 79 8.195 8.195 7.247 0.948 25508 1863 1 4 . 1 1 80 80 ASP N N 80 118.833 118.833 120.933 -2.100 25508 1864 1 4 . 1 1 80 80 ASP HA H 80 4.473 4.473 4.755 -0.282 25508 1865 1 4 . 1 1 80 80 ASP C C 80 176.374 176.374 175.653 0.721 25508 1866 1 4 . 1 1 80 80 ASP CA C 80 54.383 54.383 54.028 0.355 25508 1867 1 4 . 1 1 80 80 ASP CB C 80 40.940 40.940 40.020 0.920 25508 1868 1 4 . 1 1 80 80 ASP H H 80 8.347 8.347 8.454 -0.107 25508 1869 1 4 . 1 1 81 81 GLN N N 81 120.376 120.376 119.282 1.094 25508 1870 1 4 . 1 1 81 81 GLN HA H 81 4.225 4.225 4.466 -0.241 25508 1871 1 4 . 1 1 81 81 GLN C C 81 176.029 176.029 175.071 0.958 25508 1872 1 4 . 1 1 81 81 GLN CA C 81 55.969 55.969 55.176 0.793 25508 1873 1 4 . 1 1 81 81 GLN CB C 81 29.242 29.242 30.172 -0.930 25508 1874 1 4 . 1 1 81 81 GLN H H 81 8.188 8.188 7.840 0.348 25508 1875 1 4 . 1 1 82 82 ALA N N 82 124.734 124.734 123.295 1.439 25508 1876 1 4 . 1 1 82 82 ALA HA H 82 4.271 4.271 4.102 0.169 25508 1877 1 4 . 1 1 82 82 ALA C C 82 178.011 178.011 177.192 0.819 25508 1878 1 4 . 1 1 82 82 ALA CA C 82 52.680 52.680 52.715 -0.035 25508 1879 1 4 . 1 1 82 82 ALA CB C 82 19.023 19.023 18.074 0.949 25508 1880 1 4 . 1 1 82 82 ALA H H 82 8.307 8.307 8.614 -0.307 25508 1881 1 4 . 1 1 83 83 SER N N 83 114.999 114.999 114.182 0.817 25508 1882 1 4 . 1 1 83 83 SER HA H 83 4.368 4.368 4.441 -0.073 25508 1883 1 4 . 1 1 83 83 SER C C 83 175.141 175.141 175.088 0.053 25508 1884 1 4 . 1 1 83 83 SER CA C 83 58.843 58.843 57.652 1.191 25508 1885 1 4 . 1 1 83 83 SER CB C 83 63.849 63.849 63.748 0.100 25508 1886 1 4 . 1 1 83 83 SER H H 83 8.269 8.269 8.367 -0.098 25508 1887 1 4 . 1 1 84 84 GLY N N 84 110.722 110.722 109.551 1.171 25508 1888 1 4 . 1 1 84 84 GLY C C 84 173.457 173.457 173.409 0.048 25508 1889 1 4 . 1 1 84 84 GLY CA C 84 45.168 45.168 45.064 0.104 25508 1890 1 4 . 1 1 84 84 GLY H H 84 8.324 8.324 8.177 0.147 25508 1891 1 4 . 1 1 85 85 TYR N N 85 121.054 121.054 119.827 1.227 25508 1892 1 4 . 1 1 85 85 TYR HA H 85 4.395 4.395 4.877 -0.482 25508 1893 1 4 . 1 1 85 85 TYR C C 85 174.866 174.866 174.792 0.074 25508 1894 1 4 . 1 1 85 85 TYR CA C 85 58.433 58.433 57.530 0.903 25508 1895 1 4 . 1 1 85 85 TYR CB C 85 38.856 38.856 40.437 -1.581 25508 1896 1 4 . 1 1 85 85 TYR H H 85 7.982 7.982 7.914 0.068 25508 1897 1 4 . 1 1 86 86 VAL N N 86 127.973 127.973 122.602 5.371 25508 1898 1 4 . 1 1 86 86 VAL CA C 86 58.815 58.815 60.575 -1.760 25508 1899 1 4 . 1 1 86 86 VAL CB C 86 33.360 33.360 33.210 0.150 25508 1900 1 4 . 1 1 86 86 VAL H H 86 7.734 7.734 8.536 -0.802 25508 1901 1 4 . 1 1 88 88 PRO HA H 88 4.320 4.320 4.419 -0.099 25508 1902 1 4 . 1 1 88 88 PRO C C 88 176.654 176.654 176.406 0.248 25508 1903 1 4 . 1 1 88 88 PRO CA C 88 62.735 62.735 62.519 0.216 25508 1904 1 4 . 1 1 88 88 PRO CB C 88 32.007 32.007 32.101 -0.094 25508 1905 1 4 . 1 1 89 89 ALA N N 89 124.497 124.497 122.691 1.806 25508 1906 1 4 . 1 1 89 89 ALA HA H 89 4.213 4.213 4.336 -0.123 25508 1907 1 4 . 1 1 89 89 ALA C C 89 177.739 177.739 178.644 -0.905 25508 1908 1 4 . 1 1 89 89 ALA CA C 89 52.564 52.564 52.182 0.382 25508 1909 1 4 . 1 1 89 89 ALA CB C 89 19.103 19.103 19.834 -0.731 25508 1910 1 4 . 1 1 89 89 ALA H H 89 8.332 8.332 8.096 0.236 25508 1911 1 4 . 1 1 90 90 GLN N N 90 119.712 119.712 121.765 -2.053 25508 1912 1 4 . 1 1 90 90 GLN HA H 90 4.301 4.301 4.056 0.245 25508 1913 1 4 . 1 1 90 90 GLN C C 90 175.302 175.302 176.538 -1.236 25508 1914 1 4 . 1 1 90 90 GLN CA C 90 55.717 55.717 56.352 -0.635 25508 1915 1 4 . 1 1 90 90 GLN CB C 90 29.764 29.764 28.921 0.843 25508 1916 1 4 . 1 1 90 90 GLN H H 90 8.338 8.338 8.472 -0.134 25508 1917 1 5 . 1 1 2 2 ALA N N 2 125.581 125.581 125.451 0.130 25508 1918 1 5 . 1 1 2 2 ALA HA H 2 4.204 4.204 4.546 -0.342 25508 1919 1 5 . 1 1 2 2 ALA C C 2 176.764 176.764 176.836 -0.072 25508 1920 1 5 . 1 1 2 2 ALA CA C 2 52.280 52.280 52.627 -0.347 25508 1921 1 5 . 1 1 2 2 ALA CB C 2 19.494 19.494 19.678 -0.184 25508 1922 1 5 . 1 1 2 2 ALA H H 2 8.203 8.203 8.439 -0.236 25508 1923 1 5 . 1 1 3 3 ARG N N 3 123.058 123.058 116.608 6.450 25508 1924 1 5 . 1 1 3 3 ARG HA H 3 4.247 4.247 4.453 -0.206 25508 1925 1 5 . 1 1 3 3 ARG C C 3 174.914 174.914 174.304 0.610 25508 1926 1 5 . 1 1 3 3 ARG CA C 3 55.678 55.678 55.717 -0.039 25508 1927 1 5 . 1 1 3 3 ARG CB C 3 31.276 31.276 32.717 -1.441 25508 1928 1 5 . 1 1 3 3 ARG H H 3 8.649 8.649 7.989 0.660 25508 1929 1 5 . 1 1 4 4 MET N N 4 125.010 125.010 118.899 6.111 25508 1930 1 5 . 1 1 4 4 MET HA H 4 4.966 4.966 4.886 0.080 25508 1931 1 5 . 1 1 4 4 MET C C 4 176.144 176.144 174.620 1.524 25508 1932 1 5 . 1 1 4 4 MET CA C 4 53.311 53.311 54.858 -1.547 25508 1933 1 5 . 1 1 4 4 MET CB C 4 32.120 32.120 34.004 -1.883 25508 1934 1 5 . 1 1 4 4 MET H H 4 8.427 8.427 8.371 0.056 25508 1935 1 5 . 1 1 5 5 ILE N N 5 117.850 117.850 117.003 0.847 25508 1936 1 5 . 1 1 5 5 ILE HA H 5 4.623 4.623 4.649 -0.026 25508 1937 1 5 . 1 1 5 5 ILE C C 5 174.207 174.207 173.887 0.320 25508 1938 1 5 . 1 1 5 5 ILE CA C 5 58.353 58.353 58.835 -0.482 25508 1939 1 5 . 1 1 5 5 ILE CB C 5 42.910 42.910 41.892 1.018 25508 1940 1 5 . 1 1 5 5 ILE H H 5 8.860 8.860 8.692 0.168 25508 1941 1 5 . 1 1 6 6 HIS N N 6 120.378 120.378 117.588 2.790 25508 1942 1 5 . 1 1 6 6 HIS HA H 6 4.301 4.301 4.942 -0.641 25508 1943 1 5 . 1 1 6 6 HIS C C 6 173.087 173.087 174.987 -1.900 25508 1944 1 5 . 1 1 6 6 HIS CA C 6 56.131 56.131 53.776 2.355 25508 1945 1 5 . 1 1 6 6 HIS CB C 6 28.508 28.508 28.099 0.409 25508 1946 1 5 . 1 1 6 6 HIS H H 6 8.506 8.506 8.216 0.290 25508 1947 1 5 . 1 1 7 7 CYS N N 7 131.021 131.021 124.744 6.277 25508 1948 1 5 . 1 1 7 7 CYS HA H 7 4.154 4.154 3.945 0.209 25508 1949 1 5 . 1 1 7 7 CYS C C 7 177.621 177.621 175.560 2.061 25508 1950 1 5 . 1 1 7 7 CYS CA C 7 61.346 61.346 59.786 1.560 25508 1951 1 5 . 1 1 7 7 CYS CB C 7 31.004 31.004 27.925 3.079 25508 1952 1 5 . 1 1 7 7 CYS H H 7 7.873 7.873 8.104 -0.231 25508 1953 1 5 . 1 1 8 8 ALA N N 8 133.325 133.325 130.218 3.107 25508 1954 1 5 . 1 1 8 8 ALA HA H 8 4.229 4.229 4.125 0.104 25508 1955 1 5 . 1 1 8 8 ALA C C 8 178.608 178.608 176.951 1.657 25508 1956 1 5 . 1 1 8 8 ALA CA C 8 54.478 54.478 53.393 1.085 25508 1957 1 5 . 1 1 8 8 ALA CB C 8 19.264 19.264 17.893 1.371 25508 1958 1 5 . 1 1 8 8 ALA H H 8 9.543 9.543 8.078 1.465 25508 1959 1 5 . 1 1 9 9 LYS N N 9 122.128 122.128 116.301 5.827 25508 1960 1 5 . 1 1 9 9 LYS CA C 9 56.353 56.353 57.377 -1.024 25508 1961 1 5 . 1 1 9 9 LYS CB C 9 33.619 33.619 33.919 -0.300 25508 1962 1 5 . 1 1 9 9 LYS H H 9 9.739 9.739 7.678 2.061 25508 1963 1 5 . 1 1 10 10 LEU HA H 10 4.194 4.194 4.363 -0.169 25508 1964 1 5 . 1 1 10 10 LEU C C 10 178.870 178.870 177.609 1.261 25508 1965 1 5 . 1 1 10 10 LEU CA C 10 55.934 55.934 56.224 -0.290 25508 1966 1 5 . 1 1 10 10 LEU CB C 10 42.693 42.693 42.945 -0.252 25508 1967 1 5 . 1 1 11 11 GLY N N 11 107.385 107.385 102.927 4.458 25508 1968 1 5 . 1 1 11 11 GLY C C 11 173.268 173.268 173.607 -0.339 25508 1969 1 5 . 1 1 11 11 GLY CA C 11 46.756 46.756 44.922 1.833 25508 1970 1 5 . 1 1 11 11 GLY H H 11 8.258 8.258 7.785 0.473 25508 1971 1 5 . 1 1 12 12 LYS N N 12 112.456 112.456 118.582 -6.126 25508 1972 1 5 . 1 1 12 12 LYS HA H 12 4.547 4.547 4.749 -0.202 25508 1973 1 5 . 1 1 12 12 LYS C C 12 173.822 173.822 174.520 -0.698 25508 1974 1 5 . 1 1 12 12 LYS CA C 12 53.523 53.523 53.375 0.148 25508 1975 1 5 . 1 1 12 12 LYS CB C 12 35.156 35.156 33.998 1.157 25508 1976 1 5 . 1 1 12 12 LYS H H 12 6.772 6.772 7.779 -1.007 25508 1977 1 5 . 1 1 13 13 GLU N N 13 121.058 121.058 119.839 1.219 25508 1978 1 5 . 1 1 13 13 GLU HA H 13 4.874 4.874 4.630 0.244 25508 1979 1 5 . 1 1 13 13 GLU C C 13 176.290 176.290 175.978 0.312 25508 1980 1 5 . 1 1 13 13 GLU CA C 13 56.291 56.291 55.937 0.354 25508 1981 1 5 . 1 1 13 13 GLU CB C 13 29.827 29.827 29.939 -0.112 25508 1982 1 5 . 1 1 13 13 GLU H H 13 8.402 8.402 8.474 -0.072 25508 1983 1 5 . 1 1 14 14 ALA N N 14 127.978 127.978 127.692 0.286 25508 1984 1 5 . 1 1 14 14 ALA HA H 14 4.514 4.514 4.894 -0.380 25508 1985 1 5 . 1 1 14 14 ALA C C 14 175.156 175.156 175.738 -0.582 25508 1986 1 5 . 1 1 14 14 ALA CA C 14 51.437 51.437 50.183 1.254 25508 1987 1 5 . 1 1 14 14 ALA CB C 14 23.586 23.586 22.020 1.566 25508 1988 1 5 . 1 1 14 14 ALA H H 14 9.330 9.330 8.861 0.469 25508 1989 1 5 . 1 1 15 15 GLU N N 15 120.272 120.272 118.999 1.273 25508 1990 1 5 . 1 1 15 15 GLU HA H 15 4.573 4.573 4.462 0.111 25508 1991 1 5 . 1 1 15 15 GLU C C 15 178.292 178.292 177.148 1.144 25508 1992 1 5 . 1 1 15 15 GLU CA C 15 57.645 57.645 56.769 0.876 25508 1993 1 5 . 1 1 15 15 GLU CB C 15 30.016 30.016 30.634 -0.618 25508 1994 1 5 . 1 1 15 15 GLU H H 15 8.560 8.560 8.617 -0.057 25508 1995 1 5 . 1 1 16 16 GLY N N 16 113.246 113.246 107.851 5.395 25508 1996 1 5 . 1 1 16 16 GLY C C 16 172.877 172.877 173.955 -1.078 25508 1997 1 5 . 1 1 16 16 GLY CA C 16 44.636 44.636 43.797 0.839 25508 1998 1 5 . 1 1 16 16 GLY H H 16 9.236 9.236 8.128 1.108 25508 1999 1 5 . 1 1 17 17 LEU N N 17 120.058 120.058 122.155 -2.097 25508 2000 1 5 . 1 1 17 17 LEU HA H 17 3.960 3.960 4.058 -0.098 25508 2001 1 5 . 1 1 17 17 LEU C C 17 177.457 177.457 177.640 -0.183 25508 2002 1 5 . 1 1 17 17 LEU CA C 17 55.375 55.375 56.748 -1.373 25508 2003 1 5 . 1 1 17 17 LEU CB C 17 43.355 43.355 42.547 0.808 25508 2004 1 5 . 1 1 17 17 LEU H H 17 9.482 9.482 8.482 1.000 25508 2005 1 5 . 1 1 18 18 ASP N N 18 118.600 118.600 117.406 1.194 25508 2006 1 5 . 1 1 18 18 ASP HA H 18 4.531 4.531 4.466 0.065 25508 2007 1 5 . 1 1 18 18 ASP C C 18 175.929 175.929 174.663 1.266 25508 2008 1 5 . 1 1 18 18 ASP CA C 18 56.544 56.544 55.700 0.844 25508 2009 1 5 . 1 1 18 18 ASP CB C 18 41.655 41.655 39.772 1.883 25508 2010 1 5 . 1 1 18 18 ASP H H 18 8.848 8.848 8.261 0.587 25508 2011 1 5 . 1 1 19 19 PHE N N 19 113.195 113.195 117.732 -4.537 25508 2012 1 5 . 1 1 19 19 PHE CA C 19 55.070 55.070 53.827 1.244 25508 2013 1 5 . 1 1 19 19 PHE CB C 19 38.588 38.588 40.855 -2.268 25508 2014 1 5 . 1 1 19 19 PHE H H 19 7.108 7.108 7.662 -0.554 25508 2015 1 5 . 1 1 21 21 PRO HA H 21 4.357 4.357 4.232 0.125 25508 2016 1 5 . 1 1 21 21 PRO C C 21 174.627 174.627 176.181 -1.554 25508 2017 1 5 . 1 1 21 21 PRO CA C 21 63.914 63.914 64.282 -0.368 25508 2018 1 5 . 1 1 21 21 PRO CB C 21 31.431 31.431 32.170 -0.739 25508 2019 1 5 . 1 1 22 22 LEU N N 22 117.643 117.643 119.523 -1.880 25508 2020 1 5 . 1 1 22 22 LEU CA C 22 51.462 51.462 51.205 0.257 25508 2021 1 5 . 1 1 22 22 LEU CB C 22 46.011 46.011 43.276 2.736 25508 2022 1 5 . 1 1 22 22 LEU H H 22 6.788 6.788 7.607 -0.819 25508 2023 1 5 . 1 1 24 24 GLY N N 24 105.443 105.443 108.916 -3.473 25508 2024 1 5 . 1 1 24 24 GLY C C 24 175.297 175.297 175.596 -0.299 25508 2025 1 5 . 1 1 24 24 GLY CA C 24 45.381 45.381 44.272 1.109 25508 2026 1 5 . 1 1 24 24 GLY H H 24 8.367 8.367 7.818 0.549 25508 2027 1 5 . 1 1 25 25 GLU N N 25 122.031 122.031 118.285 3.746 25508 2028 1 5 . 1 1 25 25 GLU HA H 25 3.887 3.887 4.222 -0.335 25508 2029 1 5 . 1 1 25 25 GLU C C 25 179.015 179.015 177.344 1.671 25508 2030 1 5 . 1 1 25 25 GLU CA C 25 59.283 59.283 57.712 1.571 25508 2031 1 5 . 1 1 25 25 GLU CB C 25 29.176 29.176 29.842 -0.666 25508 2032 1 5 . 1 1 25 25 GLU H H 25 8.737 8.737 8.601 0.136 25508 2033 1 5 . 1 1 26 26 LEU N N 26 120.531 120.531 120.374 0.157 25508 2034 1 5 . 1 1 26 26 LEU HA H 26 4.104 4.104 4.383 -0.279 25508 2035 1 5 . 1 1 26 26 LEU C C 26 178.836 178.836 178.688 0.148 25508 2036 1 5 . 1 1 26 26 LEU CA C 26 57.981 57.981 56.850 1.131 25508 2037 1 5 . 1 1 26 26 LEU CB C 26 40.939 40.939 42.091 -1.152 25508 2038 1 5 . 1 1 26 26 LEU H H 26 8.852 8.852 7.848 1.004 25508 2039 1 5 . 1 1 27 27 GLY N N 27 102.599 102.599 105.431 -2.832 25508 2040 1 5 . 1 1 27 27 GLY C C 27 175.874 175.874 175.905 -0.031 25508 2041 1 5 . 1 1 27 27 GLY CA C 27 48.024 48.024 47.411 0.613 25508 2042 1 5 . 1 1 27 27 GLY H H 27 6.894 6.894 8.586 -1.692 25508 2043 1 5 . 1 1 28 28 LYS N N 28 122.738 122.738 119.399 3.339 25508 2044 1 5 . 1 1 28 28 LYS HA H 28 3.914 3.914 4.486 -0.572 25508 2045 1 5 . 1 1 28 28 LYS C C 28 177.965 177.965 178.474 -0.509 25508 2046 1 5 . 1 1 28 28 LYS CA C 28 59.844 59.844 58.804 1.040 25508 2047 1 5 . 1 1 28 28 LYS CB C 28 32.169 32.169 32.137 0.032 25508 2048 1 5 . 1 1 28 28 LYS H H 28 7.449 7.449 7.556 -0.107 25508 2049 1 5 . 1 1 29 29 ARG N N 29 119.988 119.988 118.233 1.755 25508 2050 1 5 . 1 1 29 29 ARG HA H 29 3.998 3.998 4.332 -0.334 25508 2051 1 5 . 1 1 29 29 ARG CA C 29 59.876 59.876 57.769 2.107 25508 2052 1 5 . 1 1 29 29 ARG CB C 29 30.829 30.829 30.271 0.558 25508 2053 1 5 . 1 1 29 29 ARG H H 29 8.194 8.194 7.788 0.406 25508 2054 1 5 . 1 1 30 30 LEU N N 30 119.547 119.547 120.155 -0.608 25508 2055 1 5 . 1 1 30 30 LEU HA H 30 3.849 3.849 4.479 -0.630 25508 2056 1 5 . 1 1 30 30 LEU C C 30 177.351 177.351 178.304 -0.953 25508 2057 1 5 . 1 1 30 30 LEU CA C 30 58.068 58.068 58.132 -0.064 25508 2058 1 5 . 1 1 30 30 LEU CB C 30 41.547 41.547 42.795 -1.248 25508 2059 1 5 . 1 1 30 30 LEU H H 30 8.333 8.333 8.073 0.260 25508 2060 1 5 . 1 1 31 31 TYR N N 31 118.033 118.033 116.968 1.065 25508 2061 1 5 . 1 1 31 31 TYR HA H 31 3.895 3.895 4.175 -0.280 25508 2062 1 5 . 1 1 31 31 TYR C C 31 178.434 178.434 176.263 2.171 25508 2063 1 5 . 1 1 31 31 TYR CA C 31 61.391 61.391 59.999 1.392 25508 2064 1 5 . 1 1 31 31 TYR CB C 31 39.083 39.083 37.942 1.141 25508 2065 1 5 . 1 1 31 31 TYR H H 31 8.106 8.106 7.904 0.202 25508 2066 1 5 . 1 1 32 32 GLU N N 32 117.126 117.126 116.200 0.926 25508 2067 1 5 . 1 1 32 32 GLU HA H 32 3.926 3.926 3.739 0.187 25508 2068 1 5 . 1 1 32 32 GLU C C 32 178.370 178.370 176.012 2.358 25508 2069 1 5 . 1 1 32 32 GLU CA C 32 58.603 58.603 56.688 1.915 25508 2070 1 5 . 1 1 32 32 GLU CB C 32 30.580 30.580 28.758 1.822 25508 2071 1 5 . 1 1 32 32 GLU H H 32 8.260 8.260 7.663 0.597 25508 2072 1 5 . 1 1 33 33 SER N N 33 108.887 108.887 113.924 -5.037 25508 2073 1 5 . 1 1 33 33 SER HA H 33 4.910 4.910 4.355 0.555 25508 2074 1 5 . 1 1 33 33 SER C C 33 171.776 171.776 173.901 -2.125 25508 2075 1 5 . 1 1 33 33 SER CA C 33 60.399 60.399 58.907 1.492 25508 2076 1 5 . 1 1 33 33 SER CB C 33 67.057 67.057 65.374 1.683 25508 2077 1 5 . 1 1 33 33 SER H H 33 7.553 7.553 7.255 0.298 25508 2078 1 5 . 1 1 34 34 VAL N N 34 120.097 120.097 121.402 -1.305 25508 2079 1 5 . 1 1 34 34 VAL CA C 34 61.287 61.287 62.937 -1.650 25508 2080 1 5 . 1 1 34 34 VAL CB C 34 34.048 34.048 32.718 1.330 25508 2081 1 5 . 1 1 34 34 VAL H H 34 8.396 8.396 7.969 0.427 25508 2082 1 5 . 1 1 35 35 SER HA H 35 4.107 4.107 4.898 -0.791 25508 2083 1 5 . 1 1 35 35 SER C C 35 174.321 174.321 174.358 -0.037 25508 2084 1 5 . 1 1 35 35 SER CA C 35 58.771 58.771 55.745 3.026 25508 2085 1 5 . 1 1 35 35 SER CB C 35 66.899 66.899 65.346 1.553 25508 2086 1 5 . 1 1 36 36 LYS N N 36 119.115 119.115 120.985 -1.870 25508 2087 1 5 . 1 1 36 36 LYS HA H 36 4.016 4.016 4.223 -0.207 25508 2088 1 5 . 1 1 36 36 LYS C C 36 179.407 179.407 177.626 1.781 25508 2089 1 5 . 1 1 36 36 LYS CA C 36 60.728 60.728 57.917 2.811 25508 2090 1 5 . 1 1 36 36 LYS CB C 36 32.746 32.746 32.549 0.197 25508 2091 1 5 . 1 1 36 36 LYS H H 36 8.562 8.562 8.391 0.171 25508 2092 1 5 . 1 1 37 37 GLN N N 37 118.142 118.142 118.771 -0.629 25508 2093 1 5 . 1 1 37 37 GLN HA H 37 3.970 3.970 4.276 -0.306 25508 2094 1 5 . 1 1 37 37 GLN C C 37 177.580 177.580 177.745 -0.165 25508 2095 1 5 . 1 1 37 37 GLN CA C 37 59.134 59.134 58.031 1.103 25508 2096 1 5 . 1 1 37 37 GLN CB C 37 28.534 28.534 28.765 -0.231 25508 2097 1 5 . 1 1 37 37 GLN H H 37 8.958 8.958 7.549 1.409 25508 2098 1 5 . 1 1 38 38 ALA N N 38 121.173 121.173 122.708 -1.535 25508 2099 1 5 . 1 1 38 38 ALA HA H 38 4.409 4.409 4.195 0.214 25508 2100 1 5 . 1 1 38 38 ALA C C 38 181.081 181.081 178.486 2.595 25508 2101 1 5 . 1 1 38 38 ALA CA C 38 55.065 55.065 53.681 1.384 25508 2102 1 5 . 1 1 38 38 ALA CB C 38 19.574 19.574 17.782 1.792 25508 2103 1 5 . 1 1 38 38 ALA H H 38 8.233 8.233 8.202 0.031 25508 2104 1 5 . 1 1 39 39 TRP N N 39 121.046 121.046 120.306 0.740 25508 2105 1 5 . 1 1 39 39 TRP HA H 39 4.898 4.898 4.015 0.883 25508 2106 1 5 . 1 1 39 39 TRP C C 39 176.886 176.886 177.376 -0.490 25508 2107 1 5 . 1 1 39 39 TRP CA C 39 60.403 60.403 60.180 0.223 25508 2108 1 5 . 1 1 39 39 TRP CB C 39 30.640 30.640 29.440 1.200 25508 2109 1 5 . 1 1 39 39 TRP H H 39 8.891 8.891 7.737 1.154 25508 2110 1 5 . 1 1 40 40 GLN N N 40 117.010 117.010 116.285 0.725 25508 2111 1 5 . 1 1 40 40 GLN HA H 40 3.715 3.715 3.685 0.030 25508 2112 1 5 . 1 1 40 40 GLN C C 40 179.512 179.512 177.994 1.518 25508 2113 1 5 . 1 1 40 40 GLN CA C 40 59.159 59.159 58.996 0.163 25508 2114 1 5 . 1 1 40 40 GLN CB C 40 27.821 27.821 28.260 -0.439 25508 2115 1 5 . 1 1 40 40 GLN H H 40 8.541 8.541 7.569 0.972 25508 2116 1 5 . 1 1 41 41 ASP N N 41 120.036 120.036 119.476 0.560 25508 2117 1 5 . 1 1 41 41 ASP HA H 41 4.396 4.396 4.438 -0.042 25508 2118 1 5 . 1 1 41 41 ASP C C 41 179.637 179.637 178.405 1.232 25508 2119 1 5 . 1 1 41 41 ASP CA C 41 57.571 57.571 56.845 0.726 25508 2120 1 5 . 1 1 41 41 ASP CB C 41 40.205 40.205 40.679 -0.474 25508 2121 1 5 . 1 1 41 41 ASP H H 41 8.119 8.119 8.278 -0.159 25508 2122 1 5 . 1 1 42 42 TRP N N 42 123.295 123.295 119.328 3.967 25508 2123 1 5 . 1 1 42 42 TRP HA H 42 3.992 3.992 4.457 -0.465 25508 2124 1 5 . 1 1 42 42 TRP C C 42 176.559 176.559 178.321 -1.762 25508 2125 1 5 . 1 1 42 42 TRP CA C 42 58.825 58.825 59.947 -1.122 25508 2126 1 5 . 1 1 42 42 TRP CB C 42 30.101 30.101 29.655 0.446 25508 2127 1 5 . 1 1 42 42 TRP H H 42 8.015 8.015 8.223 -0.208 25508 2128 1 5 . 1 1 43 43 LEU N N 43 118.444 118.444 118.330 0.114 25508 2129 1 5 . 1 1 43 43 LEU HA H 43 3.073 3.073 4.001 -0.928 25508 2130 1 5 . 1 1 43 43 LEU C C 43 180.127 180.127 178.282 1.845 25508 2131 1 5 . 1 1 43 43 LEU CA C 43 57.710 57.710 57.358 0.352 25508 2132 1 5 . 1 1 43 43 LEU CB C 43 40.675 40.675 40.952 -0.277 25508 2133 1 5 . 1 1 43 43 LEU H H 43 8.027 8.027 7.985 0.042 25508 2134 1 5 . 1 1 44 44 LYS N N 44 117.577 117.577 119.969 -2.392 25508 2135 1 5 . 1 1 44 44 LYS HA H 44 3.871 3.871 3.836 0.035 25508 2136 1 5 . 1 1 44 44 LYS C C 44 179.010 179.010 178.758 0.252 25508 2137 1 5 . 1 1 44 44 LYS CA C 44 59.496 59.496 59.390 0.106 25508 2138 1 5 . 1 1 44 44 LYS CB C 44 32.301 32.301 32.029 0.272 25508 2139 1 5 . 1 1 44 44 LYS H H 44 7.065 7.065 7.856 -0.791 25508 2140 1 5 . 1 1 45 45 GLN N N 45 120.755 120.755 117.703 3.052 25508 2141 1 5 . 1 1 45 45 GLN HA H 45 3.834 3.834 4.023 -0.189 25508 2142 1 5 . 1 1 45 45 GLN C C 45 177.807 177.807 178.243 -0.436 25508 2143 1 5 . 1 1 45 45 GLN CA C 45 57.760 57.760 58.553 -0.793 25508 2144 1 5 . 1 1 45 45 GLN CB C 45 27.623 27.623 27.598 0.025 25508 2145 1 5 . 1 1 45 45 GLN H H 45 7.033 7.033 7.746 -0.713 25508 2146 1 5 . 1 1 46 46 GLN N N 46 120.768 120.768 118.336 2.432 25508 2147 1 5 . 1 1 46 46 GLN HA H 46 3.065 3.065 3.993 -0.928 25508 2148 1 5 . 1 1 46 46 GLN C C 46 177.167 177.167 178.091 -0.924 25508 2149 1 5 . 1 1 46 46 GLN CA C 46 59.136 59.136 59.370 -0.234 25508 2150 1 5 . 1 1 46 46 GLN CB C 46 28.416 28.416 28.430 -0.014 25508 2151 1 5 . 1 1 46 46 GLN H H 46 8.346 8.346 7.652 0.694 25508 2152 1 5 . 1 1 47 47 THR N N 47 114.925 114.925 114.654 0.271 25508 2153 1 5 . 1 1 47 47 THR HA H 47 3.690 3.690 4.296 -0.606 25508 2154 1 5 . 1 1 47 47 THR C C 47 175.615 175.615 175.821 -0.206 25508 2155 1 5 . 1 1 47 47 THR CA C 47 66.804 66.804 65.668 1.136 25508 2156 1 5 . 1 1 47 47 THR CB C 47 68.895 68.895 68.964 -0.069 25508 2157 1 5 . 1 1 47 47 THR H H 47 7.629 7.629 7.530 0.099 25508 2158 1 5 . 1 1 48 48 MET N N 48 120.050 120.050 121.684 -1.634 25508 2159 1 5 . 1 1 48 48 MET HA H 48 4.117 4.117 4.208 -0.091 25508 2160 1 5 . 1 1 48 48 MET C C 48 177.928 177.928 178.523 -0.595 25508 2161 1 5 . 1 1 48 48 MET CA C 48 59.041 59.041 58.338 0.703 25508 2162 1 5 . 1 1 48 48 MET CB C 48 31.985 31.985 31.872 0.113 25508 2163 1 5 . 1 1 48 48 MET H H 48 7.077 7.077 7.599 -0.522 25508 2164 1 5 . 1 1 49 49 LEU N N 49 120.156 120.156 119.367 0.789 25508 2165 1 5 . 1 1 49 49 LEU HA H 49 3.991 3.991 4.126 -0.135 25508 2166 1 5 . 1 1 49 49 LEU C C 49 180.284 180.284 179.259 1.025 25508 2167 1 5 . 1 1 49 49 LEU CA C 49 58.157 58.157 57.835 0.322 25508 2168 1 5 . 1 1 49 49 LEU CB C 49 42.723 42.723 40.862 1.861 25508 2169 1 5 . 1 1 49 49 LEU H H 49 7.982 7.982 8.486 -0.504 25508 2170 1 5 . 1 1 50 50 ILE N N 50 119.987 119.987 119.580 0.407 25508 2171 1 5 . 1 1 50 50 ILE HA H 50 3.487 3.487 3.589 -0.102 25508 2172 1 5 . 1 1 50 50 ILE C C 50 178.074 178.074 177.571 0.503 25508 2173 1 5 . 1 1 50 50 ILE CA C 50 65.734 65.734 65.366 0.368 25508 2174 1 5 . 1 1 50 50 ILE CB C 50 38.622 38.622 37.655 0.967 25508 2175 1 5 . 1 1 50 50 ILE H H 50 8.275 8.275 7.536 0.739 25508 2176 1 5 . 1 1 51 51 ASN N N 51 117.331 117.331 116.416 0.915 25508 2177 1 5 . 1 1 51 51 ASN HA H 51 4.493 4.493 4.586 -0.093 25508 2178 1 5 . 1 1 51 51 ASN C C 51 178.621 178.621 176.625 1.996 25508 2179 1 5 . 1 1 51 51 ASN CA C 51 55.787 55.787 55.750 0.037 25508 2180 1 5 . 1 1 51 51 ASN CB C 51 38.273 38.273 39.122 -0.849 25508 2181 1 5 . 1 1 51 51 ASN H H 51 7.902 7.902 7.987 -0.085 25508 2182 1 5 . 1 1 52 52 GLU N N 52 120.128 120.128 119.490 0.638 25508 2183 1 5 . 1 1 52 52 GLU HA H 52 4.006 4.006 4.228 -0.222 25508 2184 1 5 . 1 1 52 52 GLU C C 52 177.628 177.628 177.245 0.383 25508 2185 1 5 . 1 1 52 52 GLU CA C 52 59.034 59.034 58.310 0.724 25508 2186 1 5 . 1 1 52 52 GLU CB C 52 29.714 29.714 29.920 -0.206 25508 2187 1 5 . 1 1 52 52 GLU H H 52 8.958 8.958 8.127 0.831 25508 2188 1 5 . 1 1 53 53 ASN N N 53 112.872 112.872 114.985 -2.113 25508 2189 1 5 . 1 1 53 53 ASN HA H 53 4.666 4.666 4.795 -0.129 25508 2190 1 5 . 1 1 53 53 ASN C C 53 173.022 173.022 174.580 -1.558 25508 2191 1 5 . 1 1 53 53 ASN CA C 53 53.416 53.416 53.464 -0.048 25508 2192 1 5 . 1 1 53 53 ASN CB C 53 38.938 38.938 39.587 -0.650 25508 2193 1 5 . 1 1 53 53 ASN H H 53 7.535 7.535 8.031 -0.496 25508 2194 1 5 . 1 1 54 54 ARG N N 54 118.579 118.579 118.692 -0.113 25508 2195 1 5 . 1 1 54 54 ARG HA H 54 3.975 3.975 4.061 -0.086 25508 2196 1 5 . 1 1 54 54 ARG C C 54 176.170 176.170 175.249 0.921 25508 2197 1 5 . 1 1 54 54 ARG CA C 54 56.615 56.615 56.493 0.122 25508 2198 1 5 . 1 1 54 54 ARG CB C 54 27.180 27.180 27.603 -0.423 25508 2199 1 5 . 1 1 54 54 ARG H H 54 7.696 7.696 7.894 -0.198 25508 2200 1 5 . 1 1 55 55 LEU N N 55 116.705 116.705 117.286 -0.581 25508 2201 1 5 . 1 1 55 55 LEU HA H 55 4.097 4.097 4.242 -0.145 25508 2202 1 5 . 1 1 55 55 LEU C C 55 176.242 176.242 176.829 -0.587 25508 2203 1 5 . 1 1 55 55 LEU CA C 55 55.099 55.099 54.412 0.687 25508 2204 1 5 . 1 1 55 55 LEU CB C 55 42.694 42.694 42.629 0.065 25508 2205 1 5 . 1 1 55 55 LEU H H 55 7.927 7.927 7.498 0.429 25508 2206 1 5 . 1 1 56 56 ASN N N 56 120.616 120.616 118.555 2.061 25508 2207 1 5 . 1 1 56 56 ASN HA H 56 4.708 4.708 4.893 -0.185 25508 2208 1 5 . 1 1 56 56 ASN C C 56 176.058 176.058 176.199 -0.141 25508 2209 1 5 . 1 1 56 56 ASN CA C 56 51.440 51.440 52.475 -1.035 25508 2210 1 5 . 1 1 56 56 ASN CB C 56 38.554 38.554 38.955 -0.400 25508 2211 1 5 . 1 1 56 56 ASN H H 56 8.530 8.530 8.617 -0.087 25508 2212 1 5 . 1 1 57 57 MET N N 57 121.659 121.659 122.738 -1.079 25508 2213 1 5 . 1 1 57 57 MET HA H 57 4.341 4.341 4.151 0.190 25508 2214 1 5 . 1 1 57 57 MET C C 57 176.694 176.694 177.030 -0.336 25508 2215 1 5 . 1 1 57 57 MET CA C 57 55.717 55.717 58.321 -2.604 25508 2216 1 5 . 1 1 57 57 MET CB C 57 30.266 30.266 32.771 -2.505 25508 2217 1 5 . 1 1 57 57 MET H H 57 8.628 8.628 8.247 0.381 25508 2218 1 5 . 1 1 58 58 ALA N N 58 120.515 120.515 119.741 0.774 25508 2219 1 5 . 1 1 58 58 ALA HA H 58 4.267 4.267 4.163 0.104 25508 2220 1 5 . 1 1 58 58 ALA C C 58 177.625 177.625 177.473 0.152 25508 2221 1 5 . 1 1 58 58 ALA CA C 58 52.643 52.643 53.435 -0.792 25508 2222 1 5 . 1 1 58 58 ALA CB C 58 18.667 18.667 18.794 -0.127 25508 2223 1 5 . 1 1 58 58 ALA H H 58 7.988 7.988 8.114 -0.126 25508 2224 1 5 . 1 1 59 59 ASP N N 59 121.926 121.926 115.223 6.703 25508 2225 1 5 . 1 1 59 59 ASP CA C 59 50.871 50.871 50.833 0.038 25508 2226 1 5 . 1 1 59 59 ASP CB C 59 42.450 42.450 40.617 1.833 25508 2227 1 5 . 1 1 59 59 ASP H H 59 8.024 8.024 7.729 0.295 25508 2228 1 5 . 1 1 60 60 PRO HA H 60 4.186 4.186 4.361 -0.175 25508 2229 1 5 . 1 1 60 60 PRO C C 60 179.232 179.232 177.821 1.411 25508 2230 1 5 . 1 1 60 60 PRO CA C 60 65.347 65.347 64.239 1.108 25508 2231 1 5 . 1 1 60 60 PRO CB C 60 32.399 32.399 32.218 0.181 25508 2232 1 5 . 1 1 61 61 ARG N N 61 117.390 117.390 118.651 -1.261 25508 2233 1 5 . 1 1 61 61 ARG HA H 61 4.107 4.107 4.095 0.012 25508 2234 1 5 . 1 1 61 61 ARG C C 61 179.817 179.817 178.399 1.418 25508 2235 1 5 . 1 1 61 61 ARG CA C 61 59.098 59.098 58.574 0.524 25508 2236 1 5 . 1 1 61 61 ARG CB C 61 29.670 29.670 28.627 1.043 25508 2237 1 5 . 1 1 61 61 ARG H H 61 8.597 8.597 8.539 0.058 25508 2238 1 5 . 1 1 62 62 ALA N N 62 124.172 124.172 120.301 3.871 25508 2239 1 5 . 1 1 62 62 ALA HA H 62 4.201 4.201 4.307 -0.106 25508 2240 1 5 . 1 1 62 62 ALA C C 62 179.726 179.726 179.594 0.132 25508 2241 1 5 . 1 1 62 62 ALA CA C 62 55.011 55.011 54.327 0.684 25508 2242 1 5 . 1 1 62 62 ALA CB C 62 19.251 19.251 18.612 0.639 25508 2243 1 5 . 1 1 62 62 ALA H H 62 7.597 7.597 7.640 -0.043 25508 2244 1 5 . 1 1 63 63 ARG N N 63 116.483 116.483 118.354 -1.871 25508 2245 1 5 . 1 1 63 63 ARG HA H 63 3.985 3.985 4.195 -0.210 25508 2246 1 5 . 1 1 63 63 ARG C C 63 179.234 179.234 178.642 0.592 25508 2247 1 5 . 1 1 63 63 ARG CA C 63 60.029 60.029 58.909 1.120 25508 2248 1 5 . 1 1 63 63 ARG CB C 63 29.806 29.806 30.277 -0.471 25508 2249 1 5 . 1 1 63 63 ARG H H 63 7.640 7.640 8.161 -0.520 25508 2250 1 5 . 1 1 64 64 GLN N N 64 119.143 119.143 119.081 0.062 25508 2251 1 5 . 1 1 64 64 GLN HA H 64 4.095 4.095 4.144 -0.049 25508 2252 1 5 . 1 1 64 64 GLN C C 64 178.261 178.261 177.201 1.060 25508 2253 1 5 . 1 1 64 64 GLN CA C 64 59.183 59.183 58.606 0.577 25508 2254 1 5 . 1 1 64 64 GLN CB C 64 28.266 28.266 28.953 -0.687 25508 2255 1 5 . 1 1 64 64 GLN H H 64 8.114 8.114 8.333 -0.219 25508 2256 1 5 . 1 1 65 65 TYR N N 65 121.413 121.413 119.044 2.369 25508 2257 1 5 . 1 1 65 65 TYR HA H 65 4.321 4.321 4.360 -0.039 25508 2258 1 5 . 1 1 65 65 TYR C C 65 180.478 180.478 177.467 3.011 25508 2259 1 5 . 1 1 65 65 TYR CA C 65 61.407 61.407 60.799 0.608 25508 2260 1 5 . 1 1 65 65 TYR CB C 65 37.831 37.831 38.981 -1.150 25508 2261 1 5 . 1 1 65 65 TYR H H 65 7.929 7.929 7.626 0.303 25508 2262 1 5 . 1 1 66 66 LEU N N 66 119.499 119.499 119.981 -0.482 25508 2263 1 5 . 1 1 66 66 LEU HA H 66 3.870 3.870 3.863 0.007 25508 2264 1 5 . 1 1 66 66 LEU C C 66 180.847 180.847 178.778 2.069 25508 2265 1 5 . 1 1 66 66 LEU CA C 66 57.959 57.959 57.364 0.595 25508 2266 1 5 . 1 1 66 66 LEU CB C 66 41.522 41.522 41.960 -0.438 25508 2267 1 5 . 1 1 66 66 LEU H H 66 8.328 8.328 7.755 0.573 25508 2268 1 5 . 1 1 67 67 MET N N 67 122.316 122.316 117.516 4.800 25508 2269 1 5 . 1 1 67 67 MET HA H 67 4.100 4.100 4.150 -0.050 25508 2270 1 5 . 1 1 67 67 MET C C 67 178.402 178.402 177.794 0.608 25508 2271 1 5 . 1 1 67 67 MET CA C 67 59.693 59.693 58.008 1.685 25508 2272 1 5 . 1 1 67 67 MET CB C 67 32.202 32.202 31.587 0.615 25508 2273 1 5 . 1 1 67 67 MET H H 67 8.480 8.480 7.780 0.700 25508 2274 1 5 . 1 1 68 68 LYS N N 68 120.460 120.460 117.729 2.731 25508 2275 1 5 . 1 1 68 68 LYS HA H 68 4.160 4.160 4.176 -0.016 25508 2276 1 5 . 1 1 68 68 LYS C C 68 179.963 179.963 179.359 0.604 25508 2277 1 5 . 1 1 68 68 LYS CA C 68 58.857 58.857 58.373 0.484 25508 2278 1 5 . 1 1 68 68 LYS CB C 68 31.276 31.276 31.737 -0.461 25508 2279 1 5 . 1 1 68 68 LYS H H 68 8.024 8.024 7.438 0.586 25508 2280 1 5 . 1 1 69 69 GLN N N 69 117.834 117.834 118.225 -0.391 25508 2281 1 5 . 1 1 69 69 GLN HA H 69 3.858 3.858 4.174 -0.316 25508 2282 1 5 . 1 1 69 69 GLN C C 69 178.013 178.013 177.437 0.576 25508 2283 1 5 . 1 1 69 69 GLN CA C 69 58.097 58.097 58.149 -0.052 25508 2284 1 5 . 1 1 69 69 GLN CB C 69 27.601 27.601 29.325 -1.724 25508 2285 1 5 . 1 1 69 69 GLN H H 69 8.281 8.281 8.087 0.194 25508 2286 1 5 . 1 1 70 70 THR N N 70 119.066 119.066 115.603 3.463 25508 2287 1 5 . 1 1 70 70 THR HA H 70 2.666 2.666 3.870 -1.204 25508 2288 1 5 . 1 1 70 70 THR C C 70 175.189 175.189 175.384 -0.195 25508 2289 1 5 . 1 1 70 70 THR CA C 70 66.732 66.732 65.359 1.373 25508 2290 1 5 . 1 1 70 70 THR CB C 70 68.451 68.451 68.982 -0.531 25508 2291 1 5 . 1 1 70 70 THR H H 70 8.245 8.245 7.619 0.626 25508 2292 1 5 . 1 1 71 71 GLU N N 71 121.112 121.112 121.428 -0.316 25508 2293 1 5 . 1 1 71 71 GLU HA H 71 3.873 3.873 4.092 -0.219 25508 2294 1 5 . 1 1 71 71 GLU C C 71 177.903 177.903 177.903 0.000 25508 2295 1 5 . 1 1 71 71 GLU CA C 71 60.325 60.325 59.319 1.006 25508 2296 1 5 . 1 1 71 71 GLU CB C 71 30.065 30.065 29.916 0.149 25508 2297 1 5 . 1 1 71 71 GLU H H 71 7.872 7.872 8.437 -0.565 25508 2298 1 5 . 1 1 72 72 LYS N N 72 118.112 118.112 118.273 -0.161 25508 2299 1 5 . 1 1 72 72 LYS HA H 72 3.853 3.853 4.036 -0.183 25508 2300 1 5 . 1 1 72 72 LYS C C 72 178.447 178.447 178.231 0.216 25508 2301 1 5 . 1 1 72 72 LYS CA C 72 59.199 59.199 58.637 0.562 25508 2302 1 5 . 1 1 72 72 LYS CB C 72 32.705 32.705 31.993 0.712 25508 2303 1 5 . 1 1 72 72 LYS H H 72 7.932 7.932 7.578 0.354 25508 2304 1 5 . 1 1 73 73 TYR N N 73 119.703 119.703 119.823 -0.120 25508 2305 1 5 . 1 1 73 73 TYR HA H 73 3.704 3.704 4.185 -0.481 25508 2306 1 5 . 1 1 73 73 TYR C C 73 176.953 176.953 176.944 0.009 25508 2307 1 5 . 1 1 73 73 TYR CA C 73 61.540 61.540 60.801 0.739 25508 2308 1 5 . 1 1 73 73 TYR CB C 73 38.266 38.266 38.319 -0.054 25508 2309 1 5 . 1 1 73 73 TYR H H 73 7.800 7.800 7.673 0.127 25508 2310 1 5 . 1 1 74 74 PHE N N 74 111.749 111.749 117.611 -5.862 25508 2311 1 5 . 1 1 74 74 PHE HA H 74 3.886 3.886 4.448 -0.562 25508 2312 1 5 . 1 1 74 74 PHE C C 74 176.300 176.300 177.305 -1.005 25508 2313 1 5 . 1 1 74 74 PHE CA C 74 61.784 61.784 59.297 2.487 25508 2314 1 5 . 1 1 74 74 PHE CB C 74 39.690 39.690 40.396 -0.706 25508 2315 1 5 . 1 1 74 74 PHE H H 74 7.139 7.139 7.578 -0.439 25508 2316 1 5 . 1 1 75 75 PHE N N 75 114.845 114.845 118.009 -3.164 25508 2317 1 5 . 1 1 75 75 PHE HA H 75 5.009 5.009 4.375 0.634 25508 2318 1 5 . 1 1 75 75 PHE C C 75 176.448 176.448 176.787 -0.339 25508 2319 1 5 . 1 1 75 75 PHE CA C 75 56.575 56.575 58.435 -1.860 25508 2320 1 5 . 1 1 75 75 PHE CB C 75 40.353 40.353 37.861 2.493 25508 2321 1 5 . 1 1 75 75 PHE H H 75 8.275 8.275 7.575 0.700 25508 2322 1 5 . 1 1 76 76 GLY N N 76 109.977 109.977 108.437 1.540 25508 2323 1 5 . 1 1 76 76 GLY C C 76 173.602 173.602 174.263 -0.661 25508 2324 1 5 . 1 1 76 76 GLY CA C 76 45.375 45.375 45.447 -0.072 25508 2325 1 5 . 1 1 76 76 GLY H H 76 7.836 7.836 7.648 0.188 25508 2326 1 5 . 1 1 77 77 GLU N N 77 120.068 120.068 121.048 -0.980 25508 2327 1 5 . 1 1 77 77 GLU HA H 77 4.259 4.259 3.901 0.358 25508 2328 1 5 . 1 1 77 77 GLU C C 77 176.925 176.925 177.602 -0.677 25508 2329 1 5 . 1 1 77 77 GLU CA C 77 56.647 56.647 57.736 -1.089 25508 2330 1 5 . 1 1 77 77 GLU CB C 77 30.694 30.694 29.732 0.963 25508 2331 1 5 . 1 1 77 77 GLU H H 77 8.445 8.445 8.152 0.293 25508 2332 1 5 . 1 1 78 78 GLY N N 78 110.135 110.135 106.769 3.366 25508 2333 1 5 . 1 1 78 78 GLY C C 78 174.241 174.241 172.822 1.419 25508 2334 1 5 . 1 1 78 78 GLY CA C 78 45.368 45.368 44.566 0.802 25508 2335 1 5 . 1 1 78 78 GLY H H 78 8.457 8.457 8.168 0.289 25508 2336 1 5 . 1 1 79 79 ALA N N 79 123.773 123.773 122.320 1.453 25508 2337 1 5 . 1 1 79 79 ALA HA H 79 4.208 4.208 3.957 0.251 25508 2338 1 5 . 1 1 79 79 ALA C C 79 177.657 177.657 174.832 2.825 25508 2339 1 5 . 1 1 79 79 ALA CA C 79 52.782 52.782 51.815 0.967 25508 2340 1 5 . 1 1 79 79 ALA CB C 79 19.145 19.145 20.638 -1.493 25508 2341 1 5 . 1 1 79 79 ALA H H 79 8.195 8.195 7.317 0.878 25508 2342 1 5 . 1 1 80 80 ASP N N 80 118.833 118.833 118.954 -0.121 25508 2343 1 5 . 1 1 80 80 ASP HA H 80 4.473 4.473 4.858 -0.385 25508 2344 1 5 . 1 1 80 80 ASP C C 80 176.374 176.374 175.884 0.490 25508 2345 1 5 . 1 1 80 80 ASP CA C 80 54.383 54.383 54.394 -0.011 25508 2346 1 5 . 1 1 80 80 ASP CB C 80 40.940 40.940 41.624 -0.684 25508 2347 1 5 . 1 1 80 80 ASP H H 80 8.347 8.347 8.416 -0.069 25508 2348 1 5 . 1 1 81 81 GLN N N 81 120.376 120.376 118.633 1.743 25508 2349 1 5 . 1 1 81 81 GLN HA H 81 4.225 4.225 4.859 -0.634 25508 2350 1 5 . 1 1 81 81 GLN C C 81 176.029 176.029 174.395 1.634 25508 2351 1 5 . 1 1 81 81 GLN CA C 81 55.969 55.969 54.837 1.132 25508 2352 1 5 . 1 1 81 81 GLN CB C 81 29.242 29.242 31.978 -2.736 25508 2353 1 5 . 1 1 81 81 GLN H H 81 8.188 8.188 7.940 0.248 25508 2354 1 5 . 1 1 82 82 ALA N N 82 124.734 124.734 124.575 0.159 25508 2355 1 5 . 1 1 82 82 ALA HA H 82 4.271 4.271 4.725 -0.454 25508 2356 1 5 . 1 1 82 82 ALA C C 82 178.011 178.011 176.292 1.719 25508 2357 1 5 . 1 1 82 82 ALA CA C 82 52.680 52.680 52.636 0.044 25508 2358 1 5 . 1 1 82 82 ALA CB C 82 19.023 19.023 19.223 -0.200 25508 2359 1 5 . 1 1 82 82 ALA H H 82 8.307 8.307 8.741 -0.434 25508 2360 1 5 . 1 1 83 83 SER N N 83 114.999 114.999 113.482 1.517 25508 2361 1 5 . 1 1 83 83 SER HA H 83 4.368 4.368 4.530 -0.162 25508 2362 1 5 . 1 1 83 83 SER C C 83 175.141 175.141 173.249 1.892 25508 2363 1 5 . 1 1 83 83 SER CA C 83 58.843 58.843 58.404 0.439 25508 2364 1 5 . 1 1 83 83 SER CB C 83 63.849 63.849 64.188 -0.339 25508 2365 1 5 . 1 1 83 83 SER H H 83 8.269 8.269 7.810 0.459 25508 2366 1 5 . 1 1 84 84 GLY N N 84 110.722 110.722 109.285 1.437 25508 2367 1 5 . 1 1 84 84 GLY C C 84 173.457 173.457 172.557 0.900 25508 2368 1 5 . 1 1 84 84 GLY CA C 84 45.168 45.168 45.497 -0.329 25508 2369 1 5 . 1 1 84 84 GLY H H 84 8.324 8.324 8.268 0.056 25508 2370 1 5 . 1 1 85 85 TYR N N 85 121.054 121.054 120.614 0.440 25508 2371 1 5 . 1 1 85 85 TYR HA H 85 4.395 4.395 4.605 -0.210 25508 2372 1 5 . 1 1 85 85 TYR C C 85 174.866 174.866 174.938 -0.072 25508 2373 1 5 . 1 1 85 85 TYR CA C 85 58.433 58.433 57.562 0.871 25508 2374 1 5 . 1 1 85 85 TYR CB C 85 38.856 38.856 41.688 -2.832 25508 2375 1 5 . 1 1 85 85 TYR H H 85 7.982 7.982 8.040 -0.058 25508 2376 1 5 . 1 1 86 86 VAL N N 86 127.973 127.973 118.657 9.316 25508 2377 1 5 . 1 1 86 86 VAL CA C 86 58.815 58.815 62.234 -3.419 25508 2378 1 5 . 1 1 86 86 VAL CB C 86 33.360 33.360 31.024 2.336 25508 2379 1 5 . 1 1 86 86 VAL H H 86 7.734 7.734 8.550 -0.816 25508 2380 1 5 . 1 1 88 88 PRO HA H 88 4.320 4.320 4.415 -0.095 25508 2381 1 5 . 1 1 88 88 PRO C C 88 176.654 176.654 175.741 0.913 25508 2382 1 5 . 1 1 88 88 PRO CA C 88 62.735 62.735 62.991 -0.256 25508 2383 1 5 . 1 1 88 88 PRO CB C 88 32.007 32.007 32.487 -0.480 25508 2384 1 5 . 1 1 89 89 ALA N N 89 124.497 124.497 121.952 2.545 25508 2385 1 5 . 1 1 89 89 ALA HA H 89 4.213 4.213 4.376 -0.163 25508 2386 1 5 . 1 1 89 89 ALA C C 89 177.739 177.739 176.198 1.541 25508 2387 1 5 . 1 1 89 89 ALA CA C 89 52.564 52.564 51.761 0.803 25508 2388 1 5 . 1 1 89 89 ALA CB C 89 19.103 19.103 20.406 -1.303 25508 2389 1 5 . 1 1 89 89 ALA H H 89 8.332 8.332 7.961 0.371 25508 2390 1 5 . 1 1 90 90 GLN N N 90 119.712 119.712 120.357 -0.645 25508 2391 1 5 . 1 1 90 90 GLN HA H 90 4.301 4.301 4.713 -0.412 25508 2392 1 5 . 1 1 90 90 GLN C C 90 175.302 175.302 175.970 -0.668 25508 2393 1 5 . 1 1 90 90 GLN CA C 90 55.717 55.717 55.752 -0.035 25508 2394 1 5 . 1 1 90 90 GLN CB C 90 29.764 29.764 30.041 -0.277 25508 2395 1 5 . 1 1 90 90 GLN H H 90 8.338 8.338 8.532 -0.194 25508 2396 1 6 . 1 1 2 2 ALA N N 2 125.581 125.581 127.334 -1.753 25508 2397 1 6 . 1 1 2 2 ALA HA H 2 4.204 4.204 4.387 -0.183 25508 2398 1 6 . 1 1 2 2 ALA C C 2 176.764 176.764 176.653 0.111 25508 2399 1 6 . 1 1 2 2 ALA CA C 2 52.280 52.280 53.078 -0.798 25508 2400 1 6 . 1 1 2 2 ALA CB C 2 19.494 19.494 19.563 -0.069 25508 2401 1 6 . 1 1 2 2 ALA H H 2 8.203 8.203 8.698 -0.495 25508 2402 1 6 . 1 1 3 3 ARG N N 3 123.058 123.058 115.836 7.222 25508 2403 1 6 . 1 1 3 3 ARG HA H 3 4.247 4.247 4.462 -0.215 25508 2404 1 6 . 1 1 3 3 ARG C C 3 174.914 174.914 173.911 1.003 25508 2405 1 6 . 1 1 3 3 ARG CA C 3 55.678 55.678 55.610 0.068 25508 2406 1 6 . 1 1 3 3 ARG CB C 3 31.276 31.276 32.995 -1.719 25508 2407 1 6 . 1 1 3 3 ARG H H 3 8.649 8.649 7.630 1.019 25508 2408 1 6 . 1 1 4 4 MET N N 4 125.010 125.010 118.388 6.622 25508 2409 1 6 . 1 1 4 4 MET HA H 4 4.966 4.966 4.844 0.122 25508 2410 1 6 . 1 1 4 4 MET C C 4 176.144 176.144 174.673 1.471 25508 2411 1 6 . 1 1 4 4 MET CA C 4 53.311 53.311 55.056 -1.745 25508 2412 1 6 . 1 1 4 4 MET CB C 4 32.120 32.120 33.503 -1.383 25508 2413 1 6 . 1 1 4 4 MET H H 4 8.427 8.427 8.465 -0.038 25508 2414 1 6 . 1 1 5 5 ILE N N 5 117.850 117.850 117.543 0.307 25508 2415 1 6 . 1 1 5 5 ILE HA H 5 4.623 4.623 4.630 -0.007 25508 2416 1 6 . 1 1 5 5 ILE C C 5 174.207 174.207 173.760 0.447 25508 2417 1 6 . 1 1 5 5 ILE CA C 5 58.353 58.353 58.788 -0.435 25508 2418 1 6 . 1 1 5 5 ILE CB C 5 42.910 42.910 42.148 0.762 25508 2419 1 6 . 1 1 5 5 ILE H H 5 8.860 8.860 8.852 0.008 25508 2420 1 6 . 1 1 6 6 HIS N N 6 120.378 120.378 118.282 2.096 25508 2421 1 6 . 1 1 6 6 HIS HA H 6 4.301 4.301 5.060 -0.759 25508 2422 1 6 . 1 1 6 6 HIS C C 6 173.087 173.087 174.798 -1.711 25508 2423 1 6 . 1 1 6 6 HIS CA C 6 56.131 56.131 53.667 2.464 25508 2424 1 6 . 1 1 6 6 HIS CB C 6 28.508 28.508 28.092 0.416 25508 2425 1 6 . 1 1 6 6 HIS H H 6 8.506 8.506 8.207 0.299 25508 2426 1 6 . 1 1 7 7 CYS N N 7 131.021 131.021 124.678 6.343 25508 2427 1 6 . 1 1 7 7 CYS HA H 7 4.154 4.154 3.979 0.175 25508 2428 1 6 . 1 1 7 7 CYS C C 7 177.621 177.621 175.765 1.856 25508 2429 1 6 . 1 1 7 7 CYS CA C 7 61.346 61.346 60.106 1.240 25508 2430 1 6 . 1 1 7 7 CYS CB C 7 31.004 31.004 28.621 2.383 25508 2431 1 6 . 1 1 7 7 CYS H H 7 7.873 7.873 8.189 -0.316 25508 2432 1 6 . 1 1 8 8 ALA N N 8 133.325 133.325 130.903 2.422 25508 2433 1 6 . 1 1 8 8 ALA HA H 8 4.229 4.229 3.829 0.400 25508 2434 1 6 . 1 1 8 8 ALA C C 8 178.608 178.608 176.743 1.865 25508 2435 1 6 . 1 1 8 8 ALA CA C 8 54.478 54.478 52.970 1.508 25508 2436 1 6 . 1 1 8 8 ALA CB C 8 19.264 19.264 17.572 1.692 25508 2437 1 6 . 1 1 8 8 ALA H H 8 9.543 9.543 8.024 1.519 25508 2438 1 6 . 1 1 9 9 LYS N N 9 122.128 122.128 117.207 4.921 25508 2439 1 6 . 1 1 9 9 LYS CA C 9 56.353 56.353 57.798 -1.445 25508 2440 1 6 . 1 1 9 9 LYS CB C 9 33.619 33.619 32.581 1.038 25508 2441 1 6 . 1 1 9 9 LYS H H 9 9.739 9.739 7.556 2.183 25508 2442 1 6 . 1 1 10 10 LEU HA H 10 4.194 4.194 4.634 -0.440 25508 2443 1 6 . 1 1 10 10 LEU C C 10 178.870 178.870 177.934 0.936 25508 2444 1 6 . 1 1 10 10 LEU CA C 10 55.934 55.934 55.082 0.852 25508 2445 1 6 . 1 1 10 10 LEU CB C 10 42.693 42.693 43.342 -0.649 25508 2446 1 6 . 1 1 11 11 GLY N N 11 107.385 107.385 105.348 2.037 25508 2447 1 6 . 1 1 11 11 GLY C C 11 173.268 173.268 174.119 -0.851 25508 2448 1 6 . 1 1 11 11 GLY CA C 11 46.756 46.756 45.086 1.670 25508 2449 1 6 . 1 1 11 11 GLY H H 11 8.258 8.258 8.142 0.116 25508 2450 1 6 . 1 1 12 12 LYS N N 12 112.456 112.456 119.322 -6.866 25508 2451 1 6 . 1 1 12 12 LYS HA H 12 4.547 4.547 4.624 -0.077 25508 2452 1 6 . 1 1 12 12 LYS C C 12 173.822 173.822 174.745 -0.923 25508 2453 1 6 . 1 1 12 12 LYS CA C 12 53.523 53.523 53.946 -0.423 25508 2454 1 6 . 1 1 12 12 LYS CB C 12 35.156 35.156 34.762 0.394 25508 2455 1 6 . 1 1 12 12 LYS H H 12 6.772 6.772 7.810 -1.038 25508 2456 1 6 . 1 1 13 13 GLU N N 13 121.058 121.058 120.030 1.028 25508 2457 1 6 . 1 1 13 13 GLU HA H 13 4.874 4.874 4.586 0.288 25508 2458 1 6 . 1 1 13 13 GLU C C 13 176.290 176.290 175.635 0.655 25508 2459 1 6 . 1 1 13 13 GLU CA C 13 56.291 56.291 56.051 0.240 25508 2460 1 6 . 1 1 13 13 GLU CB C 13 29.827 29.827 30.323 -0.496 25508 2461 1 6 . 1 1 13 13 GLU H H 13 8.402 8.402 8.542 -0.140 25508 2462 1 6 . 1 1 14 14 ALA N N 14 127.978 127.978 128.934 -0.956 25508 2463 1 6 . 1 1 14 14 ALA HA H 14 4.514 4.514 4.653 -0.139 25508 2464 1 6 . 1 1 14 14 ALA C C 14 175.156 175.156 175.568 -0.412 25508 2465 1 6 . 1 1 14 14 ALA CA C 14 51.437 51.437 50.542 0.895 25508 2466 1 6 . 1 1 14 14 ALA CB C 14 23.586 23.586 22.221 1.365 25508 2467 1 6 . 1 1 14 14 ALA H H 14 9.330 9.330 8.911 0.419 25508 2468 1 6 . 1 1 15 15 GLU N N 15 120.272 120.272 118.865 1.407 25508 2469 1 6 . 1 1 15 15 GLU HA H 15 4.573 4.573 4.515 0.058 25508 2470 1 6 . 1 1 15 15 GLU C C 15 178.292 178.292 176.945 1.347 25508 2471 1 6 . 1 1 15 15 GLU CA C 15 57.645 57.645 55.729 1.916 25508 2472 1 6 . 1 1 15 15 GLU CB C 15 30.016 30.016 30.540 -0.524 25508 2473 1 6 . 1 1 15 15 GLU H H 15 8.560 8.560 8.519 0.041 25508 2474 1 6 . 1 1 16 16 GLY N N 16 113.246 113.246 108.412 4.834 25508 2475 1 6 . 1 1 16 16 GLY C C 16 172.877 172.877 173.761 -0.884 25508 2476 1 6 . 1 1 16 16 GLY CA C 16 44.636 44.636 43.639 0.998 25508 2477 1 6 . 1 1 16 16 GLY H H 16 9.236 9.236 8.162 1.074 25508 2478 1 6 . 1 1 17 17 LEU N N 17 120.058 120.058 119.884 0.174 25508 2479 1 6 . 1 1 17 17 LEU HA H 17 3.960 3.960 4.173 -0.213 25508 2480 1 6 . 1 1 17 17 LEU C C 17 177.457 177.457 176.953 0.504 25508 2481 1 6 . 1 1 17 17 LEU CA C 17 55.375 55.375 54.066 1.309 25508 2482 1 6 . 1 1 17 17 LEU CB C 17 43.355 43.355 41.777 1.578 25508 2483 1 6 . 1 1 17 17 LEU H H 17 9.482 9.482 8.182 1.300 25508 2484 1 6 . 1 1 18 18 ASP N N 18 118.600 118.600 116.884 1.716 25508 2485 1 6 . 1 1 18 18 ASP HA H 18 4.531 4.531 4.440 0.091 25508 2486 1 6 . 1 1 18 18 ASP C C 18 175.929 175.929 173.822 2.107 25508 2487 1 6 . 1 1 18 18 ASP CA C 18 56.544 56.544 53.361 3.183 25508 2488 1 6 . 1 1 18 18 ASP CB C 18 41.655 41.655 40.938 0.717 25508 2489 1 6 . 1 1 18 18 ASP H H 18 8.848 8.848 8.238 0.610 25508 2490 1 6 . 1 1 19 19 PHE N N 19 113.195 113.195 118.826 -5.631 25508 2491 1 6 . 1 1 19 19 PHE CA C 19 55.070 55.070 54.904 0.166 25508 2492 1 6 . 1 1 19 19 PHE CB C 19 38.588 38.588 42.019 -3.431 25508 2493 1 6 . 1 1 19 19 PHE H H 19 7.108 7.108 7.378 -0.270 25508 2494 1 6 . 1 1 21 21 PRO HA H 21 4.357 4.357 4.482 -0.125 25508 2495 1 6 . 1 1 21 21 PRO C C 21 174.627 174.627 175.878 -1.251 25508 2496 1 6 . 1 1 21 21 PRO CA C 21 63.914 63.914 64.300 -0.386 25508 2497 1 6 . 1 1 21 21 PRO CB C 21 31.431 31.431 32.351 -0.920 25508 2498 1 6 . 1 1 22 22 LEU N N 22 117.643 117.643 119.440 -1.797 25508 2499 1 6 . 1 1 22 22 LEU CA C 22 51.462 51.462 51.653 -0.191 25508 2500 1 6 . 1 1 22 22 LEU CB C 22 46.011 46.011 45.079 0.932 25508 2501 1 6 . 1 1 22 22 LEU H H 22 6.788 6.788 7.313 -0.525 25508 2502 1 6 . 1 1 24 24 GLY N N 24 105.443 105.443 112.615 -7.172 25508 2503 1 6 . 1 1 24 24 GLY C C 24 175.297 175.297 174.185 1.112 25508 2504 1 6 . 1 1 24 24 GLY CA C 24 45.381 45.381 45.635 -0.254 25508 2505 1 6 . 1 1 24 24 GLY H H 24 8.367 8.367 7.681 0.686 25508 2506 1 6 . 1 1 25 25 GLU N N 25 122.031 122.031 119.509 2.522 25508 2507 1 6 . 1 1 25 25 GLU HA H 25 3.887 3.887 4.379 -0.492 25508 2508 1 6 . 1 1 25 25 GLU C C 25 179.015 179.015 178.695 0.320 25508 2509 1 6 . 1 1 25 25 GLU CA C 25 59.283 59.283 56.782 2.501 25508 2510 1 6 . 1 1 25 25 GLU CB C 25 29.176 29.176 30.169 -0.993 25508 2511 1 6 . 1 1 25 25 GLU H H 25 8.737 8.737 8.443 0.294 25508 2512 1 6 . 1 1 26 26 LEU N N 26 120.531 120.531 121.003 -0.472 25508 2513 1 6 . 1 1 26 26 LEU HA H 26 4.104 4.104 4.068 0.036 25508 2514 1 6 . 1 1 26 26 LEU C C 26 178.836 178.836 179.101 -0.265 25508 2515 1 6 . 1 1 26 26 LEU CA C 26 57.981 57.981 57.126 0.855 25508 2516 1 6 . 1 1 26 26 LEU CB C 26 40.939 40.939 41.786 -0.847 25508 2517 1 6 . 1 1 26 26 LEU H H 26 8.852 8.852 8.041 0.811 25508 2518 1 6 . 1 1 27 27 GLY N N 27 102.599 102.599 105.781 -3.182 25508 2519 1 6 . 1 1 27 27 GLY C C 27 175.874 175.874 175.552 0.322 25508 2520 1 6 . 1 1 27 27 GLY CA C 27 48.024 48.024 47.078 0.946 25508 2521 1 6 . 1 1 27 27 GLY H H 27 6.894 6.894 8.586 -1.692 25508 2522 1 6 . 1 1 28 28 LYS N N 28 122.738 122.738 121.043 1.695 25508 2523 1 6 . 1 1 28 28 LYS HA H 28 3.914 3.914 4.255 -0.341 25508 2524 1 6 . 1 1 28 28 LYS C C 28 177.965 177.965 178.572 -0.607 25508 2525 1 6 . 1 1 28 28 LYS CA C 28 59.844 59.844 59.247 0.597 25508 2526 1 6 . 1 1 28 28 LYS CB C 28 32.169 32.169 32.501 -0.332 25508 2527 1 6 . 1 1 28 28 LYS H H 28 7.449 7.449 7.942 -0.493 25508 2528 1 6 . 1 1 29 29 ARG N N 29 119.988 119.988 116.209 3.779 25508 2529 1 6 . 1 1 29 29 ARG HA H 29 3.998 3.998 4.466 -0.468 25508 2530 1 6 . 1 1 29 29 ARG CA C 29 59.876 59.876 57.492 2.384 25508 2531 1 6 . 1 1 29 29 ARG CB C 29 30.829 30.829 30.233 0.596 25508 2532 1 6 . 1 1 29 29 ARG H H 29 8.194 8.194 7.740 0.454 25508 2533 1 6 . 1 1 30 30 LEU N N 30 119.547 119.547 119.910 -0.363 25508 2534 1 6 . 1 1 30 30 LEU HA H 30 3.849 3.849 4.303 -0.454 25508 2535 1 6 . 1 1 30 30 LEU C C 30 177.351 177.351 178.946 -1.595 25508 2536 1 6 . 1 1 30 30 LEU CA C 30 58.068 58.068 57.821 0.247 25508 2537 1 6 . 1 1 30 30 LEU CB C 30 41.547 41.547 42.214 -0.667 25508 2538 1 6 . 1 1 30 30 LEU H H 30 8.333 8.333 7.426 0.907 25508 2539 1 6 . 1 1 31 31 TYR N N 31 118.033 118.033 117.392 0.641 25508 2540 1 6 . 1 1 31 31 TYR HA H 31 3.895 3.895 4.281 -0.386 25508 2541 1 6 . 1 1 31 31 TYR C C 31 178.434 178.434 175.834 2.600 25508 2542 1 6 . 1 1 31 31 TYR CA C 31 61.391 61.391 59.824 1.567 25508 2543 1 6 . 1 1 31 31 TYR CB C 31 39.083 39.083 38.428 0.654 25508 2544 1 6 . 1 1 31 31 TYR H H 31 8.106 8.106 8.238 -0.132 25508 2545 1 6 . 1 1 32 32 GLU N N 32 117.126 117.126 115.570 1.556 25508 2546 1 6 . 1 1 32 32 GLU HA H 32 3.926 3.926 3.838 0.088 25508 2547 1 6 . 1 1 32 32 GLU C C 32 178.370 178.370 175.756 2.614 25508 2548 1 6 . 1 1 32 32 GLU CA C 32 58.603 58.603 56.157 2.446 25508 2549 1 6 . 1 1 32 32 GLU CB C 32 30.580 30.580 29.218 1.362 25508 2550 1 6 . 1 1 32 32 GLU H H 32 8.260 8.260 7.844 0.416 25508 2551 1 6 . 1 1 33 33 SER N N 33 108.887 108.887 114.255 -5.368 25508 2552 1 6 . 1 1 33 33 SER HA H 33 4.910 4.910 4.532 0.378 25508 2553 1 6 . 1 1 33 33 SER C C 33 171.776 171.776 173.868 -2.092 25508 2554 1 6 . 1 1 33 33 SER CA C 33 60.399 60.399 58.919 1.480 25508 2555 1 6 . 1 1 33 33 SER CB C 33 67.057 67.057 65.420 1.637 25508 2556 1 6 . 1 1 33 33 SER H H 33 7.553 7.553 7.221 0.332 25508 2557 1 6 . 1 1 34 34 VAL N N 34 120.097 120.097 121.721 -1.624 25508 2558 1 6 . 1 1 34 34 VAL CA C 34 61.287 61.287 63.756 -2.469 25508 2559 1 6 . 1 1 34 34 VAL CB C 34 34.048 34.048 32.812 1.236 25508 2560 1 6 . 1 1 34 34 VAL H H 34 8.396 8.396 8.206 0.190 25508 2561 1 6 . 1 1 35 35 SER HA H 35 4.107 4.107 4.938 -0.831 25508 2562 1 6 . 1 1 35 35 SER C C 35 174.321 174.321 174.936 -0.615 25508 2563 1 6 . 1 1 35 35 SER CA C 35 58.771 58.771 56.458 2.313 25508 2564 1 6 . 1 1 35 35 SER CB C 35 66.899 66.899 66.019 0.880 25508 2565 1 6 . 1 1 36 36 LYS N N 36 119.115 119.115 121.998 -2.883 25508 2566 1 6 . 1 1 36 36 LYS HA H 36 4.016 4.016 4.066 -0.050 25508 2567 1 6 . 1 1 36 36 LYS C C 36 179.407 179.407 178.310 1.097 25508 2568 1 6 . 1 1 36 36 LYS CA C 36 60.728 60.728 59.406 1.322 25508 2569 1 6 . 1 1 36 36 LYS CB C 36 32.746 32.746 32.523 0.223 25508 2570 1 6 . 1 1 36 36 LYS H H 36 8.562 8.562 8.656 -0.094 25508 2571 1 6 . 1 1 37 37 GLN N N 37 118.142 118.142 117.815 0.327 25508 2572 1 6 . 1 1 37 37 GLN HA H 37 3.970 3.970 4.243 -0.273 25508 2573 1 6 . 1 1 37 37 GLN C C 37 177.580 177.580 178.025 -0.445 25508 2574 1 6 . 1 1 37 37 GLN CA C 37 59.134 59.134 58.203 0.931 25508 2575 1 6 . 1 1 37 37 GLN CB C 37 28.534 28.534 28.436 0.099 25508 2576 1 6 . 1 1 37 37 GLN H H 37 8.958 8.958 8.028 0.930 25508 2577 1 6 . 1 1 38 38 ALA N N 38 121.173 121.173 123.431 -2.258 25508 2578 1 6 . 1 1 38 38 ALA HA H 38 4.409 4.409 3.836 0.573 25508 2579 1 6 . 1 1 38 38 ALA C C 38 181.081 181.081 178.999 2.082 25508 2580 1 6 . 1 1 38 38 ALA CA C 38 55.065 55.065 54.518 0.547 25508 2581 1 6 . 1 1 38 38 ALA CB C 38 19.574 19.574 17.892 1.682 25508 2582 1 6 . 1 1 38 38 ALA H H 38 8.233 8.233 8.133 0.100 25508 2583 1 6 . 1 1 39 39 TRP N N 39 121.046 121.046 119.569 1.477 25508 2584 1 6 . 1 1 39 39 TRP HA H 39 4.898 4.898 4.442 0.456 25508 2585 1 6 . 1 1 39 39 TRP C C 39 176.886 176.886 177.437 -0.551 25508 2586 1 6 . 1 1 39 39 TRP CA C 39 60.403 60.403 60.272 0.131 25508 2587 1 6 . 1 1 39 39 TRP CB C 39 30.640 30.640 29.542 1.098 25508 2588 1 6 . 1 1 39 39 TRP H H 39 8.891 8.891 8.157 0.734 25508 2589 1 6 . 1 1 40 40 GLN N N 40 117.010 117.010 115.048 1.962 25508 2590 1 6 . 1 1 40 40 GLN HA H 40 3.715 3.715 4.062 -0.347 25508 2591 1 6 . 1 1 40 40 GLN C C 40 179.512 179.512 177.904 1.608 25508 2592 1 6 . 1 1 40 40 GLN CA C 40 59.159 59.159 57.761 1.398 25508 2593 1 6 . 1 1 40 40 GLN CB C 40 27.821 27.821 28.512 -0.691 25508 2594 1 6 . 1 1 40 40 GLN H H 40 8.541 8.541 7.588 0.953 25508 2595 1 6 . 1 1 41 41 ASP N N 41 120.036 120.036 121.921 -1.885 25508 2596 1 6 . 1 1 41 41 ASP HA H 41 4.396 4.396 4.290 0.106 25508 2597 1 6 . 1 1 41 41 ASP C C 41 179.637 179.637 177.772 1.865 25508 2598 1 6 . 1 1 41 41 ASP CA C 41 57.571 57.571 56.671 0.900 25508 2599 1 6 . 1 1 41 41 ASP CB C 41 40.205 40.205 40.480 -0.275 25508 2600 1 6 . 1 1 41 41 ASP H H 41 8.119 8.119 7.289 0.830 25508 2601 1 6 . 1 1 42 42 TRP N N 42 123.295 123.295 118.935 4.360 25508 2602 1 6 . 1 1 42 42 TRP HA H 42 3.992 3.992 4.298 -0.306 25508 2603 1 6 . 1 1 42 42 TRP C C 42 176.559 176.559 178.711 -2.152 25508 2604 1 6 . 1 1 42 42 TRP CA C 42 58.825 58.825 59.248 -0.423 25508 2605 1 6 . 1 1 42 42 TRP CB C 42 30.101 30.101 29.316 0.785 25508 2606 1 6 . 1 1 42 42 TRP H H 42 8.015 8.015 8.264 -0.249 25508 2607 1 6 . 1 1 43 43 LEU N N 43 118.444 118.444 118.038 0.406 25508 2608 1 6 . 1 1 43 43 LEU HA H 43 3.073 3.073 3.905 -0.832 25508 2609 1 6 . 1 1 43 43 LEU C C 43 180.127 180.127 178.560 1.567 25508 2610 1 6 . 1 1 43 43 LEU CA C 43 57.710 57.710 57.425 0.284 25508 2611 1 6 . 1 1 43 43 LEU CB C 43 40.675 40.675 41.226 -0.551 25508 2612 1 6 . 1 1 43 43 LEU H H 43 8.027 8.027 7.662 0.365 25508 2613 1 6 . 1 1 44 44 LYS N N 44 117.577 117.577 119.508 -1.931 25508 2614 1 6 . 1 1 44 44 LYS HA H 44 3.871 3.871 3.884 -0.013 25508 2615 1 6 . 1 1 44 44 LYS C C 44 179.010 179.010 178.953 0.057 25508 2616 1 6 . 1 1 44 44 LYS CA C 44 59.496 59.496 59.681 -0.185 25508 2617 1 6 . 1 1 44 44 LYS CB C 44 32.301 32.301 32.232 0.069 25508 2618 1 6 . 1 1 44 44 LYS H H 44 7.065 7.065 7.323 -0.258 25508 2619 1 6 . 1 1 45 45 GLN N N 45 120.755 120.755 117.582 3.173 25508 2620 1 6 . 1 1 45 45 GLN HA H 45 3.834 3.834 4.040 -0.206 25508 2621 1 6 . 1 1 45 45 GLN C C 45 177.807 177.807 178.112 -0.305 25508 2622 1 6 . 1 1 45 45 GLN CA C 45 57.760 57.760 58.583 -0.823 25508 2623 1 6 . 1 1 45 45 GLN CB C 45 27.623 27.623 27.971 -0.348 25508 2624 1 6 . 1 1 45 45 GLN H H 45 7.033 7.033 7.649 -0.616 25508 2625 1 6 . 1 1 46 46 GLN N N 46 120.768 120.768 119.391 1.377 25508 2626 1 6 . 1 1 46 46 GLN HA H 46 3.065 3.065 3.987 -0.922 25508 2627 1 6 . 1 1 46 46 GLN C C 46 177.167 177.167 178.235 -1.068 25508 2628 1 6 . 1 1 46 46 GLN CA C 46 59.136 59.136 59.381 -0.245 25508 2629 1 6 . 1 1 46 46 GLN CB C 46 28.416 28.416 28.593 -0.176 25508 2630 1 6 . 1 1 46 46 GLN H H 46 8.346 8.346 7.808 0.538 25508 2631 1 6 . 1 1 47 47 THR N N 47 114.925 114.925 114.303 0.622 25508 2632 1 6 . 1 1 47 47 THR HA H 47 3.690 3.690 4.205 -0.515 25508 2633 1 6 . 1 1 47 47 THR C C 47 175.615 175.615 175.955 -0.340 25508 2634 1 6 . 1 1 47 47 THR CA C 47 66.804 66.804 65.947 0.857 25508 2635 1 6 . 1 1 47 47 THR CB C 47 68.895 68.895 68.645 0.250 25508 2636 1 6 . 1 1 47 47 THR H H 47 7.629 7.629 7.559 0.070 25508 2637 1 6 . 1 1 48 48 MET N N 48 120.050 120.050 121.045 -0.995 25508 2638 1 6 . 1 1 48 48 MET HA H 48 4.117 4.117 4.302 -0.185 25508 2639 1 6 . 1 1 48 48 MET C C 48 177.928 177.928 178.211 -0.283 25508 2640 1 6 . 1 1 48 48 MET CA C 48 59.041 59.041 58.467 0.574 25508 2641 1 6 . 1 1 48 48 MET CB C 48 31.985 31.985 32.148 -0.163 25508 2642 1 6 . 1 1 48 48 MET H H 48 7.077 7.077 7.542 -0.465 25508 2643 1 6 . 1 1 49 49 LEU N N 49 120.156 120.156 119.749 0.407 25508 2644 1 6 . 1 1 49 49 LEU HA H 49 3.991 3.991 4.167 -0.176 25508 2645 1 6 . 1 1 49 49 LEU C C 49 180.284 180.284 179.253 1.031 25508 2646 1 6 . 1 1 49 49 LEU CA C 49 58.157 58.157 57.303 0.854 25508 2647 1 6 . 1 1 49 49 LEU CB C 49 42.723 42.723 41.470 1.253 25508 2648 1 6 . 1 1 49 49 LEU H H 49 7.982 7.982 8.775 -0.793 25508 2649 1 6 . 1 1 50 50 ILE N N 50 119.987 119.987 119.719 0.268 25508 2650 1 6 . 1 1 50 50 ILE HA H 50 3.487 3.487 3.562 -0.075 25508 2651 1 6 . 1 1 50 50 ILE C C 50 178.074 178.074 177.626 0.448 25508 2652 1 6 . 1 1 50 50 ILE CA C 50 65.734 65.734 65.686 0.048 25508 2653 1 6 . 1 1 50 50 ILE CB C 50 38.622 38.622 37.574 1.048 25508 2654 1 6 . 1 1 50 50 ILE H H 50 8.275 8.275 7.744 0.531 25508 2655 1 6 . 1 1 51 51 ASN N N 51 117.331 117.331 116.617 0.714 25508 2656 1 6 . 1 1 51 51 ASN HA H 51 4.493 4.493 4.539 -0.046 25508 2657 1 6 . 1 1 51 51 ASN C C 51 178.621 178.621 176.924 1.697 25508 2658 1 6 . 1 1 51 51 ASN CA C 51 55.787 55.787 55.758 0.029 25508 2659 1 6 . 1 1 51 51 ASN CB C 51 38.273 38.273 38.906 -0.633 25508 2660 1 6 . 1 1 51 51 ASN H H 51 7.902 7.902 7.789 0.113 25508 2661 1 6 . 1 1 52 52 GLU N N 52 120.128 120.128 121.010 -0.882 25508 2662 1 6 . 1 1 52 52 GLU HA H 52 4.006 4.006 4.151 -0.145 25508 2663 1 6 . 1 1 52 52 GLU C C 52 177.628 177.628 178.230 -0.602 25508 2664 1 6 . 1 1 52 52 GLU CA C 52 59.034 59.034 58.892 0.142 25508 2665 1 6 . 1 1 52 52 GLU CB C 52 29.714 29.714 29.826 -0.112 25508 2666 1 6 . 1 1 52 52 GLU H H 52 8.958 8.958 7.985 0.973 25508 2667 1 6 . 1 1 53 53 ASN N N 53 112.872 112.872 116.028 -3.156 25508 2668 1 6 . 1 1 53 53 ASN HA H 53 4.666 4.666 4.496 0.170 25508 2669 1 6 . 1 1 53 53 ASN C C 53 173.022 173.022 175.879 -2.857 25508 2670 1 6 . 1 1 53 53 ASN CA C 53 53.416 53.416 54.386 -0.970 25508 2671 1 6 . 1 1 53 53 ASN CB C 53 38.938 38.938 38.730 0.208 25508 2672 1 6 . 1 1 53 53 ASN H H 53 7.535 7.535 8.232 -0.697 25508 2673 1 6 . 1 1 54 54 ARG N N 54 118.579 118.579 114.654 3.925 25508 2674 1 6 . 1 1 54 54 ARG HA H 54 3.975 3.975 4.085 -0.110 25508 2675 1 6 . 1 1 54 54 ARG C C 54 176.170 176.170 175.330 0.840 25508 2676 1 6 . 1 1 54 54 ARG CA C 54 56.615 56.615 56.603 0.012 25508 2677 1 6 . 1 1 54 54 ARG CB C 54 27.180 27.180 26.789 0.391 25508 2678 1 6 . 1 1 54 54 ARG H H 54 7.696 7.696 7.723 -0.027 25508 2679 1 6 . 1 1 55 55 LEU N N 55 116.705 116.705 118.923 -2.218 25508 2680 1 6 . 1 1 55 55 LEU HA H 55 4.097 4.097 4.351 -0.254 25508 2681 1 6 . 1 1 55 55 LEU C C 55 176.242 176.242 177.172 -0.930 25508 2682 1 6 . 1 1 55 55 LEU CA C 55 55.099 55.099 53.893 1.206 25508 2683 1 6 . 1 1 55 55 LEU CB C 55 42.694 42.694 42.737 -0.043 25508 2684 1 6 . 1 1 55 55 LEU H H 55 7.927 7.927 7.539 0.388 25508 2685 1 6 . 1 1 56 56 ASN N N 56 120.616 120.616 118.909 1.707 25508 2686 1 6 . 1 1 56 56 ASN HA H 56 4.708 4.708 4.971 -0.263 25508 2687 1 6 . 1 1 56 56 ASN C C 56 176.058 176.058 175.748 0.310 25508 2688 1 6 . 1 1 56 56 ASN CA C 56 51.440 51.440 51.784 -0.344 25508 2689 1 6 . 1 1 56 56 ASN CB C 56 38.554 38.554 38.294 0.260 25508 2690 1 6 . 1 1 56 56 ASN H H 56 8.530 8.530 8.557 -0.027 25508 2691 1 6 . 1 1 57 57 MET N N 57 121.659 121.659 122.878 -1.219 25508 2692 1 6 . 1 1 57 57 MET HA H 57 4.341 4.341 4.116 0.225 25508 2693 1 6 . 1 1 57 57 MET C C 57 176.694 176.694 176.891 -0.197 25508 2694 1 6 . 1 1 57 57 MET CA C 57 55.717 55.717 58.381 -2.664 25508 2695 1 6 . 1 1 57 57 MET CB C 57 30.266 30.266 32.530 -2.264 25508 2696 1 6 . 1 1 57 57 MET H H 57 8.628 8.628 8.560 0.068 25508 2697 1 6 . 1 1 58 58 ALA N N 58 120.515 120.515 120.607 -0.092 25508 2698 1 6 . 1 1 58 58 ALA HA H 58 4.267 4.267 4.159 0.108 25508 2699 1 6 . 1 1 58 58 ALA C C 58 177.625 177.625 177.971 -0.346 25508 2700 1 6 . 1 1 58 58 ALA CA C 58 52.643 52.643 53.373 -0.730 25508 2701 1 6 . 1 1 58 58 ALA CB C 58 18.667 18.667 18.979 -0.312 25508 2702 1 6 . 1 1 58 58 ALA H H 58 7.988 7.988 8.007 -0.019 25508 2703 1 6 . 1 1 59 59 ASP N N 59 121.926 121.926 116.517 5.409 25508 2704 1 6 . 1 1 59 59 ASP CA C 59 50.871 50.871 51.725 -0.854 25508 2705 1 6 . 1 1 59 59 ASP CB C 59 42.450 42.450 42.161 0.289 25508 2706 1 6 . 1 1 59 59 ASP H H 59 8.024 8.024 7.866 0.158 25508 2707 1 6 . 1 1 60 60 PRO HA H 60 4.186 4.186 4.385 -0.199 25508 2708 1 6 . 1 1 60 60 PRO C C 60 179.232 179.232 178.038 1.194 25508 2709 1 6 . 1 1 60 60 PRO CA C 60 65.347 65.347 64.343 1.004 25508 2710 1 6 . 1 1 60 60 PRO CB C 60 32.399 32.399 32.303 0.096 25508 2711 1 6 . 1 1 61 61 ARG N N 61 117.390 117.390 118.859 -1.469 25508 2712 1 6 . 1 1 61 61 ARG HA H 61 4.107 4.107 4.155 -0.048 25508 2713 1 6 . 1 1 61 61 ARG C C 61 179.817 179.817 178.080 1.737 25508 2714 1 6 . 1 1 61 61 ARG CA C 61 59.098 59.098 58.827 0.271 25508 2715 1 6 . 1 1 61 61 ARG CB C 61 29.670 29.670 29.018 0.652 25508 2716 1 6 . 1 1 61 61 ARG H H 61 8.597 8.597 8.588 0.009 25508 2717 1 6 . 1 1 62 62 ALA N N 62 124.172 124.172 120.607 3.565 25508 2718 1 6 . 1 1 62 62 ALA HA H 62 4.201 4.201 4.238 -0.037 25508 2719 1 6 . 1 1 62 62 ALA C C 62 179.726 179.726 179.620 0.106 25508 2720 1 6 . 1 1 62 62 ALA CA C 62 55.011 55.011 54.761 0.250 25508 2721 1 6 . 1 1 62 62 ALA CB C 62 19.251 19.251 18.635 0.616 25508 2722 1 6 . 1 1 62 62 ALA H H 62 7.597 7.597 7.663 -0.066 25508 2723 1 6 . 1 1 63 63 ARG N N 63 116.483 116.483 118.336 -1.853 25508 2724 1 6 . 1 1 63 63 ARG HA H 63 3.985 3.985 4.264 -0.279 25508 2725 1 6 . 1 1 63 63 ARG C C 63 179.234 179.234 178.743 0.491 25508 2726 1 6 . 1 1 63 63 ARG CA C 63 60.029 60.029 58.920 1.109 25508 2727 1 6 . 1 1 63 63 ARG CB C 63 29.806 29.806 29.924 -0.118 25508 2728 1 6 . 1 1 63 63 ARG H H 63 7.640 7.640 7.420 0.220 25508 2729 1 6 . 1 1 64 64 GLN N N 64 119.143 119.143 118.140 1.003 25508 2730 1 6 . 1 1 64 64 GLN HA H 64 4.095 4.095 4.096 -0.001 25508 2731 1 6 . 1 1 64 64 GLN C C 64 178.261 178.261 176.890 1.371 25508 2732 1 6 . 1 1 64 64 GLN CA C 64 59.183 59.183 58.663 0.520 25508 2733 1 6 . 1 1 64 64 GLN CB C 64 28.266 28.266 28.756 -0.490 25508 2734 1 6 . 1 1 64 64 GLN H H 64 8.114 8.114 8.497 -0.383 25508 2735 1 6 . 1 1 65 65 TYR N N 65 121.413 121.413 118.555 2.858 25508 2736 1 6 . 1 1 65 65 TYR HA H 65 4.321 4.321 4.414 -0.093 25508 2737 1 6 . 1 1 65 65 TYR C C 65 180.478 180.478 177.834 2.644 25508 2738 1 6 . 1 1 65 65 TYR CA C 65 61.407 61.407 60.364 1.042 25508 2739 1 6 . 1 1 65 65 TYR CB C 65 37.831 37.831 39.060 -1.230 25508 2740 1 6 . 1 1 65 65 TYR H H 65 7.929 7.929 7.511 0.418 25508 2741 1 6 . 1 1 66 66 LEU N N 66 119.499 119.499 121.549 -2.050 25508 2742 1 6 . 1 1 66 66 LEU HA H 66 3.870 3.870 3.670 0.200 25508 2743 1 6 . 1 1 66 66 LEU C C 66 180.847 180.847 178.529 2.318 25508 2744 1 6 . 1 1 66 66 LEU CA C 66 57.959 57.959 58.076 -0.117 25508 2745 1 6 . 1 1 66 66 LEU CB C 66 41.522 41.522 41.935 -0.413 25508 2746 1 6 . 1 1 66 66 LEU H H 66 8.328 8.328 7.564 0.764 25508 2747 1 6 . 1 1 67 67 MET N N 67 122.316 122.316 114.947 7.369 25508 2748 1 6 . 1 1 67 67 MET HA H 67 4.100 4.100 4.091 0.009 25508 2749 1 6 . 1 1 67 67 MET C C 67 178.402 178.402 178.064 0.338 25508 2750 1 6 . 1 1 67 67 MET CA C 67 59.693 59.693 58.653 1.040 25508 2751 1 6 . 1 1 67 67 MET CB C 67 32.202 32.202 32.227 -0.025 25508 2752 1 6 . 1 1 67 67 MET H H 67 8.480 8.480 8.017 0.463 25508 2753 1 6 . 1 1 68 68 LYS N N 68 120.460 120.460 116.888 3.572 25508 2754 1 6 . 1 1 68 68 LYS HA H 68 4.160 4.160 4.324 -0.164 25508 2755 1 6 . 1 1 68 68 LYS C C 68 179.963 179.963 178.814 1.149 25508 2756 1 6 . 1 1 68 68 LYS CA C 68 58.857 58.857 56.969 1.887 25508 2757 1 6 . 1 1 68 68 LYS CB C 68 31.276 31.276 31.619 -0.343 25508 2758 1 6 . 1 1 68 68 LYS H H 68 8.024 8.024 7.825 0.199 25508 2759 1 6 . 1 1 69 69 GLN N N 69 117.834 117.834 117.977 -0.143 25508 2760 1 6 . 1 1 69 69 GLN HA H 69 3.858 3.858 4.306 -0.448 25508 2761 1 6 . 1 1 69 69 GLN C C 69 178.013 178.013 177.402 0.611 25508 2762 1 6 . 1 1 69 69 GLN CA C 69 58.097 58.097 57.430 0.667 25508 2763 1 6 . 1 1 69 69 GLN CB C 69 27.601 27.601 28.609 -1.008 25508 2764 1 6 . 1 1 69 69 GLN H H 69 8.281 8.281 7.842 0.439 25508 2765 1 6 . 1 1 70 70 THR N N 70 119.066 119.066 115.935 3.131 25508 2766 1 6 . 1 1 70 70 THR HA H 70 2.666 2.666 4.045 -1.379 25508 2767 1 6 . 1 1 70 70 THR C C 70 175.189 175.189 175.216 -0.027 25508 2768 1 6 . 1 1 70 70 THR CA C 70 66.732 66.732 65.525 1.207 25508 2769 1 6 . 1 1 70 70 THR CB C 70 68.451 68.451 68.576 -0.125 25508 2770 1 6 . 1 1 70 70 THR H H 70 8.245 8.245 7.934 0.311 25508 2771 1 6 . 1 1 71 71 GLU N N 71 121.112 121.112 121.593 -0.481 25508 2772 1 6 . 1 1 71 71 GLU HA H 71 3.873 3.873 4.031 -0.158 25508 2773 1 6 . 1 1 71 71 GLU C C 71 177.903 177.903 178.058 -0.155 25508 2774 1 6 . 1 1 71 71 GLU CA C 71 60.325 60.325 59.514 0.811 25508 2775 1 6 . 1 1 71 71 GLU CB C 71 30.065 30.065 29.667 0.398 25508 2776 1 6 . 1 1 71 71 GLU H H 71 7.872 7.872 7.742 0.130 25508 2777 1 6 . 1 1 72 72 LYS N N 72 118.112 118.112 118.070 0.042 25508 2778 1 6 . 1 1 72 72 LYS HA H 72 3.853 3.853 4.063 -0.210 25508 2779 1 6 . 1 1 72 72 LYS C C 72 178.447 178.447 178.757 -0.310 25508 2780 1 6 . 1 1 72 72 LYS CA C 72 59.199 59.199 58.786 0.413 25508 2781 1 6 . 1 1 72 72 LYS CB C 72 32.705 32.705 32.240 0.465 25508 2782 1 6 . 1 1 72 72 LYS H H 72 7.932 7.932 7.740 0.192 25508 2783 1 6 . 1 1 73 73 TYR N N 73 119.703 119.703 120.297 -0.594 25508 2784 1 6 . 1 1 73 73 TYR HA H 73 3.704 3.704 4.245 -0.541 25508 2785 1 6 . 1 1 73 73 TYR C C 73 176.953 176.953 177.527 -0.574 25508 2786 1 6 . 1 1 73 73 TYR CA C 73 61.540 61.540 62.051 -0.511 25508 2787 1 6 . 1 1 73 73 TYR CB C 73 38.266 38.266 38.566 -0.300 25508 2788 1 6 . 1 1 73 73 TYR H H 73 7.800 7.800 7.321 0.479 25508 2789 1 6 . 1 1 74 74 PHE N N 74 111.749 111.749 117.458 -5.709 25508 2790 1 6 . 1 1 74 74 PHE HA H 74 3.886 3.886 4.440 -0.554 25508 2791 1 6 . 1 1 74 74 PHE C C 74 176.300 176.300 176.955 -0.655 25508 2792 1 6 . 1 1 74 74 PHE CA C 74 61.784 61.784 59.864 1.920 25508 2793 1 6 . 1 1 74 74 PHE CB C 74 39.690 39.690 39.657 0.033 25508 2794 1 6 . 1 1 74 74 PHE H H 74 7.139 7.139 7.785 -0.646 25508 2795 1 6 . 1 1 75 75 PHE N N 75 114.845 114.845 116.565 -1.720 25508 2796 1 6 . 1 1 75 75 PHE HA H 75 5.009 5.009 4.159 0.850 25508 2797 1 6 . 1 1 75 75 PHE C C 75 176.448 176.448 176.299 0.149 25508 2798 1 6 . 1 1 75 75 PHE CA C 75 56.575 56.575 57.897 -1.322 25508 2799 1 6 . 1 1 75 75 PHE CB C 75 40.353 40.353 38.264 2.089 25508 2800 1 6 . 1 1 75 75 PHE H H 75 8.275 8.275 7.546 0.729 25508 2801 1 6 . 1 1 76 76 GLY N N 76 109.977 109.977 107.197 2.780 25508 2802 1 6 . 1 1 76 76 GLY C C 76 173.602 173.602 174.572 -0.970 25508 2803 1 6 . 1 1 76 76 GLY CA C 76 45.375 45.375 45.287 0.088 25508 2804 1 6 . 1 1 76 76 GLY H H 76 7.836 7.836 7.611 0.225 25508 2805 1 6 . 1 1 77 77 GLU N N 77 120.068 120.068 123.399 -3.331 25508 2806 1 6 . 1 1 77 77 GLU HA H 77 4.259 4.259 4.027 0.232 25508 2807 1 6 . 1 1 77 77 GLU C C 77 176.925 176.925 178.678 -1.753 25508 2808 1 6 . 1 1 77 77 GLU CA C 77 56.647 56.647 58.405 -1.758 25508 2809 1 6 . 1 1 77 77 GLU CB C 77 30.694 30.694 29.452 1.242 25508 2810 1 6 . 1 1 77 77 GLU H H 77 8.445 8.445 8.554 -0.109 25508 2811 1 6 . 1 1 78 78 GLY N N 78 110.135 110.135 108.278 1.857 25508 2812 1 6 . 1 1 78 78 GLY C C 78 174.241 174.241 172.905 1.336 25508 2813 1 6 . 1 1 78 78 GLY CA C 78 45.368 45.368 44.417 0.951 25508 2814 1 6 . 1 1 78 78 GLY H H 78 8.457 8.457 7.944 0.513 25508 2815 1 6 . 1 1 79 79 ALA N N 79 123.773 123.773 121.619 2.154 25508 2816 1 6 . 1 1 79 79 ALA HA H 79 4.208 4.208 4.572 -0.364 25508 2817 1 6 . 1 1 79 79 ALA C C 79 177.657 177.657 174.991 2.666 25508 2818 1 6 . 1 1 79 79 ALA CA C 79 52.782 52.782 51.288 1.494 25508 2819 1 6 . 1 1 79 79 ALA CB C 79 19.145 19.145 20.530 -1.385 25508 2820 1 6 . 1 1 79 79 ALA H H 79 8.195 8.195 7.119 1.076 25508 2821 1 6 . 1 1 80 80 ASP N N 80 118.833 118.833 119.860 -1.027 25508 2822 1 6 . 1 1 80 80 ASP HA H 80 4.473 4.473 4.735 -0.262 25508 2823 1 6 . 1 1 80 80 ASP C C 80 176.374 176.374 175.917 0.457 25508 2824 1 6 . 1 1 80 80 ASP CA C 80 54.383 54.383 53.186 1.197 25508 2825 1 6 . 1 1 80 80 ASP CB C 80 40.940 40.940 41.677 -0.737 25508 2826 1 6 . 1 1 80 80 ASP H H 80 8.347 8.347 8.345 0.002 25508 2827 1 6 . 1 1 81 81 GLN N N 81 120.376 120.376 119.171 1.205 25508 2828 1 6 . 1 1 81 81 GLN HA H 81 4.225 4.225 4.205 0.020 25508 2829 1 6 . 1 1 81 81 GLN C C 81 176.029 176.029 175.473 0.556 25508 2830 1 6 . 1 1 81 81 GLN CA C 81 55.969 55.969 55.787 0.182 25508 2831 1 6 . 1 1 81 81 GLN CB C 81 29.242 29.242 29.276 -0.034 25508 2832 1 6 . 1 1 81 81 GLN H H 81 8.188 8.188 8.262 -0.074 25508 2833 1 6 . 1 1 82 82 ALA N N 82 124.734 124.734 123.811 0.923 25508 2834 1 6 . 1 1 82 82 ALA HA H 82 4.271 4.271 4.640 -0.369 25508 2835 1 6 . 1 1 82 82 ALA C C 82 178.011 178.011 177.176 0.835 25508 2836 1 6 . 1 1 82 82 ALA CA C 82 52.680 52.680 51.087 1.593 25508 2837 1 6 . 1 1 82 82 ALA CB C 82 19.023 19.023 19.849 -0.825 25508 2838 1 6 . 1 1 82 82 ALA H H 82 8.307 8.307 8.200 0.107 25508 2839 1 6 . 1 1 83 83 SER N N 83 114.999 114.999 118.404 -3.405 25508 2840 1 6 . 1 1 83 83 SER HA H 83 4.368 4.368 4.436 -0.068 25508 2841 1 6 . 1 1 83 83 SER C C 83 175.141 175.141 175.693 -0.552 25508 2842 1 6 . 1 1 83 83 SER CA C 83 58.843 58.843 57.752 1.091 25508 2843 1 6 . 1 1 83 83 SER CB C 83 63.849 63.849 63.809 0.040 25508 2844 1 6 . 1 1 83 83 SER H H 83 8.269 8.269 8.539 -0.270 25508 2845 1 6 . 1 1 84 84 GLY N N 84 110.722 110.722 109.143 1.579 25508 2846 1 6 . 1 1 84 84 GLY C C 84 173.457 173.457 173.511 -0.054 25508 2847 1 6 . 1 1 84 84 GLY CA C 84 45.168 45.168 45.256 -0.088 25508 2848 1 6 . 1 1 84 84 GLY H H 84 8.324 8.324 8.609 -0.285 25508 2849 1 6 . 1 1 85 85 TYR N N 85 121.054 121.054 119.153 1.901 25508 2850 1 6 . 1 1 85 85 TYR HA H 85 4.395 4.395 4.416 -0.021 25508 2851 1 6 . 1 1 85 85 TYR C C 85 174.866 174.866 176.041 -1.175 25508 2852 1 6 . 1 1 85 85 TYR CA C 85 58.433 58.433 59.221 -0.788 25508 2853 1 6 . 1 1 85 85 TYR CB C 85 38.856 38.856 39.052 -0.196 25508 2854 1 6 . 1 1 85 85 TYR H H 85 7.982 7.982 7.993 -0.011 25508 2855 1 6 . 1 1 86 86 VAL N N 86 127.973 127.973 121.677 6.296 25508 2856 1 6 . 1 1 86 86 VAL CA C 86 58.815 58.815 60.431 -1.615 25508 2857 1 6 . 1 1 86 86 VAL CB C 86 33.360 33.360 32.401 0.959 25508 2858 1 6 . 1 1 86 86 VAL H H 86 7.734 7.734 8.500 -0.766 25508 2859 1 6 . 1 1 88 88 PRO HA H 88 4.320 4.320 4.483 -0.163 25508 2860 1 6 . 1 1 88 88 PRO C C 88 176.654 176.654 175.690 0.964 25508 2861 1 6 . 1 1 88 88 PRO CA C 88 62.735 62.735 62.587 0.148 25508 2862 1 6 . 1 1 88 88 PRO CB C 88 32.007 32.007 32.461 -0.454 25508 2863 1 6 . 1 1 89 89 ALA N N 89 124.497 124.497 122.907 1.590 25508 2864 1 6 . 1 1 89 89 ALA HA H 89 4.213 4.213 4.542 -0.329 25508 2865 1 6 . 1 1 89 89 ALA C C 89 177.739 177.739 176.730 1.009 25508 2866 1 6 . 1 1 89 89 ALA CA C 89 52.564 52.564 51.538 1.026 25508 2867 1 6 . 1 1 89 89 ALA CB C 89 19.103 19.103 19.430 -0.327 25508 2868 1 6 . 1 1 89 89 ALA H H 89 8.332 8.332 8.103 0.229 25508 2869 1 6 . 1 1 90 90 GLN N N 90 119.712 119.712 122.542 -2.830 25508 2870 1 6 . 1 1 90 90 GLN HA H 90 4.301 4.301 4.672 -0.371 25508 2871 1 6 . 1 1 90 90 GLN C C 90 175.302 175.302 175.269 0.033 25508 2872 1 6 . 1 1 90 90 GLN CA C 90 55.717 55.717 55.854 -0.137 25508 2873 1 6 . 1 1 90 90 GLN CB C 90 29.764 29.764 30.207 -0.443 25508 2874 1 6 . 1 1 90 90 GLN H H 90 8.338 8.338 8.668 -0.330 25508 2875 1 7 . 1 1 2 2 ALA N N 2 125.581 125.581 126.523 -0.942 25508 2876 1 7 . 1 1 2 2 ALA HA H 2 4.204 4.204 4.452 -0.248 25508 2877 1 7 . 1 1 2 2 ALA C C 2 176.764 176.764 177.415 -0.651 25508 2878 1 7 . 1 1 2 2 ALA CA C 2 52.280 52.280 53.193 -0.913 25508 2879 1 7 . 1 1 2 2 ALA CB C 2 19.494 19.494 20.106 -0.612 25508 2880 1 7 . 1 1 2 2 ALA H H 2 8.203 8.203 8.608 -0.405 25508 2881 1 7 . 1 1 3 3 ARG N N 3 123.058 123.058 115.207 7.851 25508 2882 1 7 . 1 1 3 3 ARG HA H 3 4.247 4.247 4.473 -0.226 25508 2883 1 7 . 1 1 3 3 ARG C C 3 174.914 174.914 173.933 0.981 25508 2884 1 7 . 1 1 3 3 ARG CA C 3 55.678 55.678 55.814 -0.136 25508 2885 1 7 . 1 1 3 3 ARG CB C 3 31.276 31.276 32.353 -1.077 25508 2886 1 7 . 1 1 3 3 ARG H H 3 8.649 8.649 7.817 0.832 25508 2887 1 7 . 1 1 4 4 MET N N 4 125.010 125.010 118.991 6.019 25508 2888 1 7 . 1 1 4 4 MET HA H 4 4.966 4.966 4.845 0.121 25508 2889 1 7 . 1 1 4 4 MET C C 4 176.144 176.144 175.184 0.960 25508 2890 1 7 . 1 1 4 4 MET CA C 4 53.311 53.311 54.839 -1.528 25508 2891 1 7 . 1 1 4 4 MET CB C 4 32.120 32.120 33.608 -1.488 25508 2892 1 7 . 1 1 4 4 MET H H 4 8.427 8.427 8.451 -0.024 25508 2893 1 7 . 1 1 5 5 ILE N N 5 117.850 117.850 118.189 -0.339 25508 2894 1 7 . 1 1 5 5 ILE HA H 5 4.623 4.623 4.623 0.000 25508 2895 1 7 . 1 1 5 5 ILE C C 5 174.207 174.207 173.457 0.750 25508 2896 1 7 . 1 1 5 5 ILE CA C 5 58.353 58.353 58.818 -0.465 25508 2897 1 7 . 1 1 5 5 ILE CB C 5 42.910 42.910 41.783 1.127 25508 2898 1 7 . 1 1 5 5 ILE H H 5 8.860 8.860 8.934 -0.074 25508 2899 1 7 . 1 1 6 6 HIS N N 6 120.378 120.378 118.867 1.511 25508 2900 1 7 . 1 1 6 6 HIS HA H 6 4.301 4.301 5.085 -0.784 25508 2901 1 7 . 1 1 6 6 HIS C C 6 173.087 173.087 175.235 -2.148 25508 2902 1 7 . 1 1 6 6 HIS CA C 6 56.131 56.131 53.963 2.168 25508 2903 1 7 . 1 1 6 6 HIS CB C 6 28.508 28.508 28.279 0.229 25508 2904 1 7 . 1 1 6 6 HIS H H 6 8.506 8.506 8.222 0.284 25508 2905 1 7 . 1 1 7 7 CYS N N 7 131.021 131.021 121.423 9.598 25508 2906 1 7 . 1 1 7 7 CYS HA H 7 4.154 4.154 4.320 -0.166 25508 2907 1 7 . 1 1 7 7 CYS C C 7 177.621 177.621 175.994 1.627 25508 2908 1 7 . 1 1 7 7 CYS CA C 7 61.346 61.346 58.658 2.688 25508 2909 1 7 . 1 1 7 7 CYS CB C 7 31.004 31.004 26.860 4.144 25508 2910 1 7 . 1 1 7 7 CYS H H 7 7.873 7.873 7.906 -0.033 25508 2911 1 7 . 1 1 8 8 ALA N N 8 133.325 133.325 129.922 3.403 25508 2912 1 7 . 1 1 8 8 ALA HA H 8 4.229 4.229 3.861 0.368 25508 2913 1 7 . 1 1 8 8 ALA C C 8 178.608 178.608 178.164 0.444 25508 2914 1 7 . 1 1 8 8 ALA CA C 8 54.478 54.478 54.178 0.300 25508 2915 1 7 . 1 1 8 8 ALA CB C 8 19.264 19.264 18.248 1.016 25508 2916 1 7 . 1 1 8 8 ALA H H 8 9.543 9.543 8.331 1.212 25508 2917 1 7 . 1 1 9 9 LYS N N 9 122.128 122.128 116.022 6.106 25508 2918 1 7 . 1 1 9 9 LYS CA C 9 56.353 56.353 57.222 -0.869 25508 2919 1 7 . 1 1 9 9 LYS CB C 9 33.619 33.619 32.356 1.263 25508 2920 1 7 . 1 1 9 9 LYS H H 9 9.739 9.739 8.249 1.490 25508 2921 1 7 . 1 1 10 10 LEU HA H 10 4.194 4.194 4.576 -0.382 25508 2922 1 7 . 1 1 10 10 LEU C C 10 178.870 178.870 177.496 1.374 25508 2923 1 7 . 1 1 10 10 LEU CA C 10 55.934 55.934 54.969 0.965 25508 2924 1 7 . 1 1 10 10 LEU CB C 10 42.693 42.693 44.350 -1.657 25508 2925 1 7 . 1 1 11 11 GLY N N 11 107.385 107.385 106.452 0.933 25508 2926 1 7 . 1 1 11 11 GLY C C 11 173.268 173.268 173.550 -0.282 25508 2927 1 7 . 1 1 11 11 GLY CA C 11 46.756 46.756 45.031 1.726 25508 2928 1 7 . 1 1 11 11 GLY H H 11 8.258 8.258 8.393 -0.135 25508 2929 1 7 . 1 1 12 12 LYS N N 12 112.456 112.456 118.957 -6.501 25508 2930 1 7 . 1 1 12 12 LYS HA H 12 4.547 4.547 4.619 -0.072 25508 2931 1 7 . 1 1 12 12 LYS C C 12 173.822 173.822 174.549 -0.727 25508 2932 1 7 . 1 1 12 12 LYS CA C 12 53.523 53.523 54.208 -0.685 25508 2933 1 7 . 1 1 12 12 LYS CB C 12 35.156 35.156 35.209 -0.053 25508 2934 1 7 . 1 1 12 12 LYS H H 12 6.772 6.772 7.607 -0.835 25508 2935 1 7 . 1 1 13 13 GLU N N 13 121.058 121.058 119.839 1.219 25508 2936 1 7 . 1 1 13 13 GLU HA H 13 4.874 4.874 4.648 0.226 25508 2937 1 7 . 1 1 13 13 GLU C C 13 176.290 176.290 175.464 0.826 25508 2938 1 7 . 1 1 13 13 GLU CA C 13 56.291 56.291 55.805 0.486 25508 2939 1 7 . 1 1 13 13 GLU CB C 13 29.827 29.827 30.549 -0.722 25508 2940 1 7 . 1 1 13 13 GLU H H 13 8.402 8.402 8.587 -0.185 25508 2941 1 7 . 1 1 14 14 ALA N N 14 127.978 127.978 128.662 -0.684 25508 2942 1 7 . 1 1 14 14 ALA HA H 14 4.514 4.514 4.715 -0.201 25508 2943 1 7 . 1 1 14 14 ALA C C 14 175.156 175.156 175.705 -0.549 25508 2944 1 7 . 1 1 14 14 ALA CA C 14 51.437 51.437 50.489 0.948 25508 2945 1 7 . 1 1 14 14 ALA CB C 14 23.586 23.586 21.988 1.598 25508 2946 1 7 . 1 1 14 14 ALA H H 14 9.330 9.330 8.682 0.648 25508 2947 1 7 . 1 1 15 15 GLU N N 15 120.272 120.272 118.017 2.255 25508 2948 1 7 . 1 1 15 15 GLU HA H 15 4.573 4.573 4.570 0.003 25508 2949 1 7 . 1 1 15 15 GLU C C 15 178.292 178.292 176.751 1.541 25508 2950 1 7 . 1 1 15 15 GLU CA C 15 57.645 57.645 55.584 2.062 25508 2951 1 7 . 1 1 15 15 GLU CB C 15 30.016 30.016 31.211 -1.195 25508 2952 1 7 . 1 1 15 15 GLU H H 15 8.560 8.560 8.534 0.026 25508 2953 1 7 . 1 1 16 16 GLY N N 16 113.246 113.246 107.906 5.340 25508 2954 1 7 . 1 1 16 16 GLY C C 16 172.877 172.877 174.383 -1.506 25508 2955 1 7 . 1 1 16 16 GLY CA C 16 44.636 44.636 44.112 0.524 25508 2956 1 7 . 1 1 16 16 GLY H H 16 9.236 9.236 8.363 0.873 25508 2957 1 7 . 1 1 17 17 LEU N N 17 120.058 120.058 122.120 -2.062 25508 2958 1 7 . 1 1 17 17 LEU HA H 17 3.960 3.960 4.002 -0.042 25508 2959 1 7 . 1 1 17 17 LEU C C 17 177.457 177.457 177.673 -0.216 25508 2960 1 7 . 1 1 17 17 LEU CA C 17 55.375 55.375 56.535 -1.160 25508 2961 1 7 . 1 1 17 17 LEU CB C 17 43.355 43.355 42.247 1.108 25508 2962 1 7 . 1 1 17 17 LEU H H 17 9.482 9.482 8.523 0.959 25508 2963 1 7 . 1 1 18 18 ASP N N 18 118.600 118.600 117.497 1.103 25508 2964 1 7 . 1 1 18 18 ASP HA H 18 4.531 4.531 4.319 0.212 25508 2965 1 7 . 1 1 18 18 ASP C C 18 175.929 175.929 174.656 1.273 25508 2966 1 7 . 1 1 18 18 ASP CA C 18 56.544 56.544 55.545 0.999 25508 2967 1 7 . 1 1 18 18 ASP CB C 18 41.655 41.655 40.014 1.641 25508 2968 1 7 . 1 1 18 18 ASP H H 18 8.848 8.848 8.428 0.420 25508 2969 1 7 . 1 1 19 19 PHE N N 19 113.195 113.195 117.899 -4.704 25508 2970 1 7 . 1 1 19 19 PHE CA C 19 55.070 55.070 54.539 0.531 25508 2971 1 7 . 1 1 19 19 PHE CB C 19 38.588 38.588 41.145 -2.557 25508 2972 1 7 . 1 1 19 19 PHE H H 19 7.108 7.108 7.603 -0.495 25508 2973 1 7 . 1 1 21 21 PRO HA H 21 4.357 4.357 4.464 -0.107 25508 2974 1 7 . 1 1 21 21 PRO C C 21 174.627 174.627 175.885 -1.258 25508 2975 1 7 . 1 1 21 21 PRO CA C 21 63.914 63.914 64.138 -0.223 25508 2976 1 7 . 1 1 21 21 PRO CB C 21 31.431 31.431 32.373 -0.942 25508 2977 1 7 . 1 1 22 22 LEU N N 22 117.643 117.643 116.737 0.906 25508 2978 1 7 . 1 1 22 22 LEU CA C 22 51.462 51.462 52.455 -0.993 25508 2979 1 7 . 1 1 22 22 LEU CB C 22 46.011 46.011 44.217 1.794 25508 2980 1 7 . 1 1 22 22 LEU H H 22 6.788 6.788 7.266 -0.478 25508 2981 1 7 . 1 1 24 24 GLY N N 24 105.443 105.443 109.033 -3.590 25508 2982 1 7 . 1 1 24 24 GLY C C 24 175.297 175.297 175.746 -0.449 25508 2983 1 7 . 1 1 24 24 GLY CA C 24 45.381 45.381 44.334 1.048 25508 2984 1 7 . 1 1 24 24 GLY H H 24 8.367 8.367 7.905 0.462 25508 2985 1 7 . 1 1 25 25 GLU N N 25 122.031 122.031 119.899 2.132 25508 2986 1 7 . 1 1 25 25 GLU HA H 25 3.887 3.887 4.092 -0.205 25508 2987 1 7 . 1 1 25 25 GLU C C 25 179.015 179.015 178.734 0.281 25508 2988 1 7 . 1 1 25 25 GLU CA C 25 59.283 59.283 58.792 0.491 25508 2989 1 7 . 1 1 25 25 GLU CB C 25 29.176 29.176 29.583 -0.407 25508 2990 1 7 . 1 1 25 25 GLU H H 25 8.737 8.737 8.758 -0.021 25508 2991 1 7 . 1 1 26 26 LEU N N 26 120.531 120.531 120.922 -0.391 25508 2992 1 7 . 1 1 26 26 LEU HA H 26 4.104 4.104 3.925 0.179 25508 2993 1 7 . 1 1 26 26 LEU C C 26 178.836 178.836 178.575 0.261 25508 2994 1 7 . 1 1 26 26 LEU CA C 26 57.981 57.981 57.906 0.076 25508 2995 1 7 . 1 1 26 26 LEU CB C 26 40.939 40.939 41.757 -0.818 25508 2996 1 7 . 1 1 26 26 LEU H H 26 8.852 8.852 8.193 0.659 25508 2997 1 7 . 1 1 27 27 GLY N N 27 102.599 102.599 104.841 -2.242 25508 2998 1 7 . 1 1 27 27 GLY C C 27 175.874 175.874 175.917 -0.043 25508 2999 1 7 . 1 1 27 27 GLY CA C 27 48.024 48.024 47.034 0.990 25508 3000 1 7 . 1 1 27 27 GLY H H 27 6.894 6.894 8.255 -1.361 25508 3001 1 7 . 1 1 28 28 LYS N N 28 122.738 122.738 120.946 1.792 25508 3002 1 7 . 1 1 28 28 LYS HA H 28 3.914 3.914 4.339 -0.425 25508 3003 1 7 . 1 1 28 28 LYS C C 28 177.965 177.965 178.657 -0.692 25508 3004 1 7 . 1 1 28 28 LYS CA C 28 59.844 59.844 58.952 0.893 25508 3005 1 7 . 1 1 28 28 LYS CB C 28 32.169 32.169 32.492 -0.323 25508 3006 1 7 . 1 1 28 28 LYS H H 28 7.449 7.449 7.517 -0.068 25508 3007 1 7 . 1 1 29 29 ARG N N 29 119.988 119.988 116.479 3.509 25508 3008 1 7 . 1 1 29 29 ARG HA H 29 3.998 3.998 4.360 -0.362 25508 3009 1 7 . 1 1 29 29 ARG CA C 29 59.876 59.876 57.311 2.565 25508 3010 1 7 . 1 1 29 29 ARG CB C 29 30.829 30.829 30.105 0.724 25508 3011 1 7 . 1 1 29 29 ARG H H 29 8.194 8.194 7.756 0.438 25508 3012 1 7 . 1 1 30 30 LEU N N 30 119.547 119.547 120.143 -0.596 25508 3013 1 7 . 1 1 30 30 LEU HA H 30 3.849 3.849 4.228 -0.379 25508 3014 1 7 . 1 1 30 30 LEU C C 30 177.351 177.351 178.679 -1.328 25508 3015 1 7 . 1 1 30 30 LEU CA C 30 58.068 58.068 57.753 0.315 25508 3016 1 7 . 1 1 30 30 LEU CB C 30 41.547 41.547 42.465 -0.918 25508 3017 1 7 . 1 1 30 30 LEU H H 30 8.333 8.333 7.873 0.460 25508 3018 1 7 . 1 1 31 31 TYR N N 31 118.033 118.033 117.106 0.927 25508 3019 1 7 . 1 1 31 31 TYR HA H 31 3.895 3.895 4.300 -0.405 25508 3020 1 7 . 1 1 31 31 TYR C C 31 178.434 178.434 176.361 2.073 25508 3021 1 7 . 1 1 31 31 TYR CA C 31 61.391 61.391 59.678 1.713 25508 3022 1 7 . 1 1 31 31 TYR CB C 31 39.083 39.083 38.098 0.985 25508 3023 1 7 . 1 1 31 31 TYR H H 31 8.106 8.106 8.073 0.033 25508 3024 1 7 . 1 1 32 32 GLU N N 32 117.126 117.126 116.817 0.309 25508 3025 1 7 . 1 1 32 32 GLU HA H 32 3.926 3.926 3.681 0.245 25508 3026 1 7 . 1 1 32 32 GLU C C 32 178.370 178.370 175.988 2.382 25508 3027 1 7 . 1 1 32 32 GLU CA C 32 58.603 58.603 56.937 1.666 25508 3028 1 7 . 1 1 32 32 GLU CB C 32 30.580 30.580 28.808 1.772 25508 3029 1 7 . 1 1 32 32 GLU H H 32 8.260 8.260 7.582 0.678 25508 3030 1 7 . 1 1 33 33 SER N N 33 108.887 108.887 114.525 -5.638 25508 3031 1 7 . 1 1 33 33 SER HA H 33 4.910 4.910 4.341 0.569 25508 3032 1 7 . 1 1 33 33 SER C C 33 171.776 171.776 173.890 -2.114 25508 3033 1 7 . 1 1 33 33 SER CA C 33 60.399 60.399 58.427 1.972 25508 3034 1 7 . 1 1 33 33 SER CB C 33 67.057 67.057 64.299 2.758 25508 3035 1 7 . 1 1 33 33 SER H H 33 7.553 7.553 7.098 0.455 25508 3036 1 7 . 1 1 34 34 VAL N N 34 120.097 120.097 123.223 -3.126 25508 3037 1 7 . 1 1 34 34 VAL CA C 34 61.287 61.287 63.203 -1.916 25508 3038 1 7 . 1 1 34 34 VAL CB C 34 34.048 34.048 32.250 1.798 25508 3039 1 7 . 1 1 34 34 VAL H H 34 8.396 8.396 8.007 0.389 25508 3040 1 7 . 1 1 35 35 SER HA H 35 4.107 4.107 5.388 -1.281 25508 3041 1 7 . 1 1 35 35 SER C C 35 174.321 174.321 175.181 -0.860 25508 3042 1 7 . 1 1 35 35 SER CA C 35 58.771 58.771 55.941 2.830 25508 3043 1 7 . 1 1 35 35 SER CB C 35 66.899 66.899 66.400 0.499 25508 3044 1 7 . 1 1 36 36 LYS N N 36 119.115 119.115 121.210 -2.095 25508 3045 1 7 . 1 1 36 36 LYS HA H 36 4.016 4.016 3.991 0.025 25508 3046 1 7 . 1 1 36 36 LYS C C 36 179.407 179.407 177.621 1.786 25508 3047 1 7 . 1 1 36 36 LYS CA C 36 60.728 60.728 58.838 1.890 25508 3048 1 7 . 1 1 36 36 LYS CB C 36 32.746 32.746 32.300 0.446 25508 3049 1 7 . 1 1 36 36 LYS H H 36 8.562 8.562 8.336 0.226 25508 3050 1 7 . 1 1 37 37 GLN N N 37 118.142 118.142 117.542 0.600 25508 3051 1 7 . 1 1 37 37 GLN HA H 37 3.970 3.970 4.363 -0.393 25508 3052 1 7 . 1 1 37 37 GLN C C 37 177.580 177.580 177.916 -0.336 25508 3053 1 7 . 1 1 37 37 GLN CA C 37 59.134 59.134 58.031 1.103 25508 3054 1 7 . 1 1 37 37 GLN CB C 37 28.534 28.534 28.698 -0.164 25508 3055 1 7 . 1 1 37 37 GLN H H 37 8.958 8.958 7.939 1.018 25508 3056 1 7 . 1 1 38 38 ALA N N 38 121.173 121.173 123.241 -2.068 25508 3057 1 7 . 1 1 38 38 ALA HA H 38 4.409 4.409 4.187 0.222 25508 3058 1 7 . 1 1 38 38 ALA C C 38 181.081 181.081 178.883 2.198 25508 3059 1 7 . 1 1 38 38 ALA CA C 38 55.065 55.065 54.416 0.649 25508 3060 1 7 . 1 1 38 38 ALA CB C 38 19.574 19.574 18.215 1.359 25508 3061 1 7 . 1 1 38 38 ALA H H 38 8.233 8.233 7.684 0.549 25508 3062 1 7 . 1 1 39 39 TRP N N 39 121.046 121.046 120.576 0.470 25508 3063 1 7 . 1 1 39 39 TRP HA H 39 4.898 4.898 4.309 0.589 25508 3064 1 7 . 1 1 39 39 TRP C C 39 176.886 176.886 177.744 -0.858 25508 3065 1 7 . 1 1 39 39 TRP CA C 39 60.403 60.403 60.675 -0.272 25508 3066 1 7 . 1 1 39 39 TRP CB C 39 30.640 30.640 29.513 1.127 25508 3067 1 7 . 1 1 39 39 TRP H H 39 8.891 8.891 8.299 0.592 25508 3068 1 7 . 1 1 40 40 GLN N N 40 117.010 117.010 116.387 0.623 25508 3069 1 7 . 1 1 40 40 GLN HA H 40 3.715 3.715 4.007 -0.292 25508 3070 1 7 . 1 1 40 40 GLN C C 40 179.512 179.512 178.512 1.000 25508 3071 1 7 . 1 1 40 40 GLN CA C 40 59.159 59.159 59.002 0.157 25508 3072 1 7 . 1 1 40 40 GLN CB C 40 27.821 27.821 27.892 -0.071 25508 3073 1 7 . 1 1 40 40 GLN H H 40 8.541 8.541 7.779 0.762 25508 3074 1 7 . 1 1 41 41 ASP N N 41 120.036 120.036 120.583 -0.547 25508 3075 1 7 . 1 1 41 41 ASP HA H 41 4.396 4.396 4.395 0.001 25508 3076 1 7 . 1 1 41 41 ASP C C 41 179.637 179.637 178.080 1.557 25508 3077 1 7 . 1 1 41 41 ASP CA C 41 57.571 57.571 57.034 0.537 25508 3078 1 7 . 1 1 41 41 ASP CB C 41 40.205 40.205 40.654 -0.449 25508 3079 1 7 . 1 1 41 41 ASP H H 41 8.119 8.119 7.785 0.334 25508 3080 1 7 . 1 1 42 42 TRP N N 42 123.295 123.295 120.676 2.619 25508 3081 1 7 . 1 1 42 42 TRP HA H 42 3.992 3.992 4.327 -0.335 25508 3082 1 7 . 1 1 42 42 TRP C C 42 176.559 176.559 177.779 -1.220 25508 3083 1 7 . 1 1 42 42 TRP CA C 42 58.825 58.825 61.029 -2.204 25508 3084 1 7 . 1 1 42 42 TRP CB C 42 30.101 30.101 29.354 0.747 25508 3085 1 7 . 1 1 42 42 TRP H H 42 8.015 8.015 7.572 0.443 25508 3086 1 7 . 1 1 43 43 LEU N N 43 118.444 118.444 118.019 0.425 25508 3087 1 7 . 1 1 43 43 LEU HA H 43 3.073 3.073 3.970 -0.897 25508 3088 1 7 . 1 1 43 43 LEU C C 43 180.127 180.127 178.753 1.374 25508 3089 1 7 . 1 1 43 43 LEU CA C 43 57.710 57.710 56.332 1.378 25508 3090 1 7 . 1 1 43 43 LEU CB C 43 40.675 40.675 41.393 -0.718 25508 3091 1 7 . 1 1 43 43 LEU H H 43 8.027 8.027 7.262 0.765 25508 3092 1 7 . 1 1 44 44 LYS N N 44 117.577 117.577 119.907 -2.330 25508 3093 1 7 . 1 1 44 44 LYS HA H 44 3.871 3.871 3.945 -0.074 25508 3094 1 7 . 1 1 44 44 LYS C C 44 179.010 179.010 178.346 0.664 25508 3095 1 7 . 1 1 44 44 LYS CA C 44 59.496 59.496 58.736 0.760 25508 3096 1 7 . 1 1 44 44 LYS CB C 44 32.301 32.301 31.965 0.336 25508 3097 1 7 . 1 1 44 44 LYS H H 44 7.065 7.065 7.194 -0.129 25508 3098 1 7 . 1 1 45 45 GLN N N 45 120.755 120.755 118.394 2.361 25508 3099 1 7 . 1 1 45 45 GLN HA H 45 3.834 3.834 3.897 -0.063 25508 3100 1 7 . 1 1 45 45 GLN C C 45 177.807 177.807 178.328 -0.521 25508 3101 1 7 . 1 1 45 45 GLN CA C 45 57.760 57.760 58.612 -0.852 25508 3102 1 7 . 1 1 45 45 GLN CB C 45 27.623 27.623 27.526 0.097 25508 3103 1 7 . 1 1 45 45 GLN H H 45 7.033 7.033 7.592 -0.559 25508 3104 1 7 . 1 1 46 46 GLN N N 46 120.768 120.768 118.590 2.178 25508 3105 1 7 . 1 1 46 46 GLN HA H 46 3.065 3.065 3.668 -0.603 25508 3106 1 7 . 1 1 46 46 GLN C C 46 177.167 177.167 178.065 -0.898 25508 3107 1 7 . 1 1 46 46 GLN CA C 46 59.136 59.136 58.909 0.227 25508 3108 1 7 . 1 1 46 46 GLN CB C 46 28.416 28.416 28.194 0.222 25508 3109 1 7 . 1 1 46 46 GLN H H 46 8.346 8.346 7.673 0.673 25508 3110 1 7 . 1 1 47 47 THR N N 47 114.925 114.925 115.443 -0.518 25508 3111 1 7 . 1 1 47 47 THR HA H 47 3.690 3.690 4.147 -0.457 25508 3112 1 7 . 1 1 47 47 THR C C 47 175.615 175.615 176.081 -0.466 25508 3113 1 7 . 1 1 47 47 THR CA C 47 66.804 66.804 65.559 1.245 25508 3114 1 7 . 1 1 47 47 THR CB C 47 68.895 68.895 68.658 0.237 25508 3115 1 7 . 1 1 47 47 THR H H 47 7.629 7.629 7.439 0.190 25508 3116 1 7 . 1 1 48 48 MET N N 48 120.050 120.050 121.725 -1.675 25508 3117 1 7 . 1 1 48 48 MET HA H 48 4.117 4.117 4.035 0.082 25508 3118 1 7 . 1 1 48 48 MET C C 48 177.928 177.928 177.830 0.098 25508 3119 1 7 . 1 1 48 48 MET CA C 48 59.041 59.041 58.479 0.562 25508 3120 1 7 . 1 1 48 48 MET CB C 48 31.985 31.985 31.670 0.315 25508 3121 1 7 . 1 1 48 48 MET H H 48 7.077 7.077 7.886 -0.809 25508 3122 1 7 . 1 1 49 49 LEU N N 49 120.156 120.156 118.743 1.413 25508 3123 1 7 . 1 1 49 49 LEU HA H 49 3.991 3.991 4.093 -0.102 25508 3124 1 7 . 1 1 49 49 LEU C C 49 180.284 180.284 179.194 1.090 25508 3125 1 7 . 1 1 49 49 LEU CA C 49 58.157 58.157 57.813 0.344 25508 3126 1 7 . 1 1 49 49 LEU CB C 49 42.723 42.723 40.588 2.135 25508 3127 1 7 . 1 1 49 49 LEU H H 49 7.982 7.982 8.718 -0.736 25508 3128 1 7 . 1 1 50 50 ILE N N 50 119.987 119.987 119.503 0.484 25508 3129 1 7 . 1 1 50 50 ILE HA H 50 3.487 3.487 3.593 -0.106 25508 3130 1 7 . 1 1 50 50 ILE C C 50 178.074 178.074 178.348 -0.274 25508 3131 1 7 . 1 1 50 50 ILE CA C 50 65.734 65.734 65.296 0.438 25508 3132 1 7 . 1 1 50 50 ILE CB C 50 38.622 38.622 37.506 1.116 25508 3133 1 7 . 1 1 50 50 ILE H H 50 8.275 8.275 7.472 0.803 25508 3134 1 7 . 1 1 51 51 ASN N N 51 117.331 117.331 117.885 -0.554 25508 3135 1 7 . 1 1 51 51 ASN HA H 51 4.493 4.493 4.433 0.060 25508 3136 1 7 . 1 1 51 51 ASN C C 51 178.621 178.621 177.147 1.474 25508 3137 1 7 . 1 1 51 51 ASN CA C 51 55.787 55.787 56.341 -0.554 25508 3138 1 7 . 1 1 51 51 ASN CB C 51 38.273 38.273 38.737 -0.464 25508 3139 1 7 . 1 1 51 51 ASN H H 51 7.902 7.902 8.348 -0.446 25508 3140 1 7 . 1 1 52 52 GLU N N 52 120.128 120.128 119.381 0.747 25508 3141 1 7 . 1 1 52 52 GLU HA H 52 4.006 4.006 4.178 -0.172 25508 3142 1 7 . 1 1 52 52 GLU C C 52 177.628 177.628 178.358 -0.730 25508 3143 1 7 . 1 1 52 52 GLU CA C 52 59.034 59.034 58.603 0.431 25508 3144 1 7 . 1 1 52 52 GLU CB C 52 29.714 29.714 29.833 -0.119 25508 3145 1 7 . 1 1 52 52 GLU H H 52 8.958 8.958 8.236 0.722 25508 3146 1 7 . 1 1 53 53 ASN N N 53 112.872 112.872 115.105 -2.233 25508 3147 1 7 . 1 1 53 53 ASN HA H 53 4.666 4.666 4.589 0.077 25508 3148 1 7 . 1 1 53 53 ASN C C 53 173.022 173.022 175.221 -2.199 25508 3149 1 7 . 1 1 53 53 ASN CA C 53 53.416 53.416 53.825 -0.409 25508 3150 1 7 . 1 1 53 53 ASN CB C 53 38.938 38.938 38.933 0.005 25508 3151 1 7 . 1 1 53 53 ASN H H 53 7.535 7.535 8.241 -0.706 25508 3152 1 7 . 1 1 54 54 ARG N N 54 118.579 118.579 117.969 0.610 25508 3153 1 7 . 1 1 54 54 ARG HA H 54 3.975 3.975 4.034 -0.059 25508 3154 1 7 . 1 1 54 54 ARG C C 54 176.170 176.170 175.002 1.168 25508 3155 1 7 . 1 1 54 54 ARG CA C 54 56.615 56.615 56.558 0.057 25508 3156 1 7 . 1 1 54 54 ARG CB C 54 27.180 27.180 27.713 -0.533 25508 3157 1 7 . 1 1 54 54 ARG H H 54 7.696 7.696 7.784 -0.088 25508 3158 1 7 . 1 1 55 55 LEU N N 55 116.705 116.705 119.865 -3.160 25508 3159 1 7 . 1 1 55 55 LEU HA H 55 4.097 4.097 4.491 -0.394 25508 3160 1 7 . 1 1 55 55 LEU C C 55 176.242 176.242 176.921 -0.679 25508 3161 1 7 . 1 1 55 55 LEU CA C 55 55.099 55.099 53.027 2.072 25508 3162 1 7 . 1 1 55 55 LEU CB C 55 42.694 42.694 43.819 -1.125 25508 3163 1 7 . 1 1 55 55 LEU H H 55 7.927 7.927 7.675 0.252 25508 3164 1 7 . 1 1 56 56 ASN N N 56 120.616 120.616 119.359 1.257 25508 3165 1 7 . 1 1 56 56 ASN HA H 56 4.708 4.708 4.864 -0.156 25508 3166 1 7 . 1 1 56 56 ASN C C 56 176.058 176.058 176.134 -0.076 25508 3167 1 7 . 1 1 56 56 ASN CA C 56 51.440 51.440 52.177 -0.737 25508 3168 1 7 . 1 1 56 56 ASN CB C 56 38.554 38.554 38.234 0.320 25508 3169 1 7 . 1 1 56 56 ASN H H 56 8.530 8.530 8.580 -0.050 25508 3170 1 7 . 1 1 57 57 MET N N 57 121.659 121.659 122.475 -0.816 25508 3171 1 7 . 1 1 57 57 MET HA H 57 4.341 4.341 4.082 0.259 25508 3172 1 7 . 1 1 57 57 MET C C 57 176.694 176.694 177.768 -1.074 25508 3173 1 7 . 1 1 57 57 MET CA C 57 55.717 55.717 59.450 -3.733 25508 3174 1 7 . 1 1 57 57 MET CB C 57 30.266 30.266 31.994 -1.728 25508 3175 1 7 . 1 1 57 57 MET H H 57 8.628 8.628 7.753 0.875 25508 3176 1 7 . 1 1 58 58 ALA N N 58 120.515 120.515 121.445 -0.930 25508 3177 1 7 . 1 1 58 58 ALA HA H 58 4.267 4.267 4.104 0.163 25508 3178 1 7 . 1 1 58 58 ALA C C 58 177.625 177.625 177.701 -0.076 25508 3179 1 7 . 1 1 58 58 ALA CA C 58 52.643 52.643 53.857 -1.214 25508 3180 1 7 . 1 1 58 58 ALA CB C 58 18.667 18.667 18.307 0.360 25508 3181 1 7 . 1 1 58 58 ALA H H 58 7.988 7.988 8.203 -0.215 25508 3182 1 7 . 1 1 59 59 ASP N N 59 121.926 121.926 117.298 4.628 25508 3183 1 7 . 1 1 59 59 ASP CA C 59 50.871 50.871 51.198 -0.327 25508 3184 1 7 . 1 1 59 59 ASP CB C 59 42.450 42.450 40.632 1.818 25508 3185 1 7 . 1 1 59 59 ASP H H 59 8.024 8.024 7.719 0.305 25508 3186 1 7 . 1 1 60 60 PRO HA H 60 4.186 4.186 4.402 -0.216 25508 3187 1 7 . 1 1 60 60 PRO C C 60 179.232 179.232 178.130 1.102 25508 3188 1 7 . 1 1 60 60 PRO CA C 60 65.347 65.347 64.405 0.942 25508 3189 1 7 . 1 1 60 60 PRO CB C 60 32.399 32.399 32.413 -0.014 25508 3190 1 7 . 1 1 61 61 ARG N N 61 117.390 117.390 119.112 -1.722 25508 3191 1 7 . 1 1 61 61 ARG HA H 61 4.107 4.107 4.136 -0.029 25508 3192 1 7 . 1 1 61 61 ARG C C 61 179.817 179.817 178.205 1.612 25508 3193 1 7 . 1 1 61 61 ARG CA C 61 59.098 59.098 59.334 -0.235 25508 3194 1 7 . 1 1 61 61 ARG CB C 61 29.670 29.670 29.217 0.453 25508 3195 1 7 . 1 1 61 61 ARG H H 61 8.597 8.597 8.497 0.100 25508 3196 1 7 . 1 1 62 62 ALA N N 62 124.172 124.172 120.077 4.095 25508 3197 1 7 . 1 1 62 62 ALA HA H 62 4.201 4.201 4.381 -0.180 25508 3198 1 7 . 1 1 62 62 ALA C C 62 179.726 179.726 179.450 0.276 25508 3199 1 7 . 1 1 62 62 ALA CA C 62 55.011 55.011 54.243 0.768 25508 3200 1 7 . 1 1 62 62 ALA CB C 62 19.251 19.251 18.520 0.731 25508 3201 1 7 . 1 1 62 62 ALA H H 62 7.597 7.597 7.574 0.023 25508 3202 1 7 . 1 1 63 63 ARG N N 63 116.483 116.483 117.754 -1.271 25508 3203 1 7 . 1 1 63 63 ARG HA H 63 3.985 3.985 4.270 -0.285 25508 3204 1 7 . 1 1 63 63 ARG C C 63 179.234 179.234 178.629 0.605 25508 3205 1 7 . 1 1 63 63 ARG CA C 63 60.029 60.029 57.531 2.498 25508 3206 1 7 . 1 1 63 63 ARG CB C 63 29.806 29.806 29.611 0.195 25508 3207 1 7 . 1 1 63 63 ARG H H 63 7.640 7.640 7.868 -0.228 25508 3208 1 7 . 1 1 64 64 GLN N N 64 119.143 119.143 118.371 0.772 25508 3209 1 7 . 1 1 64 64 GLN HA H 64 4.095 4.095 4.212 -0.117 25508 3210 1 7 . 1 1 64 64 GLN C C 64 178.261 178.261 176.484 1.777 25508 3211 1 7 . 1 1 64 64 GLN CA C 64 59.183 59.183 58.197 0.986 25508 3212 1 7 . 1 1 64 64 GLN CB C 64 28.266 28.266 29.025 -0.759 25508 3213 1 7 . 1 1 64 64 GLN H H 64 8.114 8.114 7.867 0.247 25508 3214 1 7 . 1 1 65 65 TYR N N 65 121.413 121.413 118.335 3.078 25508 3215 1 7 . 1 1 65 65 TYR HA H 65 4.321 4.321 4.508 -0.187 25508 3216 1 7 . 1 1 65 65 TYR C C 65 180.478 180.478 176.919 3.559 25508 3217 1 7 . 1 1 65 65 TYR CA C 65 61.407 61.407 60.126 1.281 25508 3218 1 7 . 1 1 65 65 TYR CB C 65 37.831 37.831 39.491 -1.660 25508 3219 1 7 . 1 1 65 65 TYR H H 65 7.929 7.929 7.687 0.242 25508 3220 1 7 . 1 1 66 66 LEU N N 66 119.499 119.499 121.157 -1.658 25508 3221 1 7 . 1 1 66 66 LEU HA H 66 3.870 3.870 3.835 0.035 25508 3222 1 7 . 1 1 66 66 LEU C C 66 180.847 180.847 178.789 2.058 25508 3223 1 7 . 1 1 66 66 LEU CA C 66 57.959 57.959 57.838 0.121 25508 3224 1 7 . 1 1 66 66 LEU CB C 66 41.522 41.522 41.726 -0.204 25508 3225 1 7 . 1 1 66 66 LEU H H 66 8.328 8.328 7.762 0.566 25508 3226 1 7 . 1 1 67 67 MET N N 67 122.316 122.316 116.529 5.787 25508 3227 1 7 . 1 1 67 67 MET HA H 67 4.100 4.100 4.289 -0.189 25508 3228 1 7 . 1 1 67 67 MET C C 67 178.402 178.402 177.397 1.005 25508 3229 1 7 . 1 1 67 67 MET CA C 67 59.693 59.693 58.568 1.125 25508 3230 1 7 . 1 1 67 67 MET CB C 67 32.202 32.202 32.035 0.167 25508 3231 1 7 . 1 1 67 67 MET H H 67 8.480 8.480 7.876 0.604 25508 3232 1 7 . 1 1 68 68 LYS N N 68 120.460 120.460 117.482 2.978 25508 3233 1 7 . 1 1 68 68 LYS HA H 68 4.160 4.160 4.184 -0.024 25508 3234 1 7 . 1 1 68 68 LYS C C 68 179.963 179.963 179.228 0.735 25508 3235 1 7 . 1 1 68 68 LYS CA C 68 58.857 58.857 58.202 0.655 25508 3236 1 7 . 1 1 68 68 LYS CB C 68 31.276 31.276 31.548 -0.272 25508 3237 1 7 . 1 1 68 68 LYS H H 68 8.024 8.024 8.059 -0.035 25508 3238 1 7 . 1 1 69 69 GLN N N 69 117.834 117.834 118.832 -0.998 25508 3239 1 7 . 1 1 69 69 GLN HA H 69 3.858 3.858 4.246 -0.388 25508 3240 1 7 . 1 1 69 69 GLN C C 69 178.013 178.013 177.258 0.755 25508 3241 1 7 . 1 1 69 69 GLN CA C 69 58.097 58.097 57.886 0.211 25508 3242 1 7 . 1 1 69 69 GLN CB C 69 27.601 27.601 28.682 -1.081 25508 3243 1 7 . 1 1 69 69 GLN H H 69 8.281 8.281 8.113 0.168 25508 3244 1 7 . 1 1 70 70 THR N N 70 119.066 119.066 115.872 3.194 25508 3245 1 7 . 1 1 70 70 THR HA H 70 2.666 2.666 4.363 -1.697 25508 3246 1 7 . 1 1 70 70 THR C C 70 175.189 175.189 175.615 -0.426 25508 3247 1 7 . 1 1 70 70 THR CA C 70 66.732 66.732 66.188 0.544 25508 3248 1 7 . 1 1 70 70 THR CB C 70 68.451 68.451 69.105 -0.654 25508 3249 1 7 . 1 1 70 70 THR H H 70 8.245 8.245 7.804 0.441 25508 3250 1 7 . 1 1 71 71 GLU N N 71 121.112 121.112 121.800 -0.688 25508 3251 1 7 . 1 1 71 71 GLU HA H 71 3.873 3.873 4.129 -0.256 25508 3252 1 7 . 1 1 71 71 GLU C C 71 177.903 177.903 177.829 0.074 25508 3253 1 7 . 1 1 71 71 GLU CA C 71 60.325 60.325 59.290 1.035 25508 3254 1 7 . 1 1 71 71 GLU CB C 71 30.065 30.065 29.973 0.092 25508 3255 1 7 . 1 1 71 71 GLU H H 71 7.872 7.872 8.629 -0.757 25508 3256 1 7 . 1 1 72 72 LYS N N 72 118.112 118.112 118.517 -0.405 25508 3257 1 7 . 1 1 72 72 LYS HA H 72 3.853 3.853 4.084 -0.231 25508 3258 1 7 . 1 1 72 72 LYS C C 72 178.447 178.447 178.242 0.205 25508 3259 1 7 . 1 1 72 72 LYS CA C 72 59.199 59.199 58.351 0.848 25508 3260 1 7 . 1 1 72 72 LYS CB C 72 32.705 32.705 31.728 0.977 25508 3261 1 7 . 1 1 72 72 LYS H H 72 7.932 7.932 7.592 0.340 25508 3262 1 7 . 1 1 73 73 TYR N N 73 119.703 119.703 119.994 -0.291 25508 3263 1 7 . 1 1 73 73 TYR HA H 73 3.704 3.704 4.341 -0.637 25508 3264 1 7 . 1 1 73 73 TYR C C 73 176.953 176.953 176.975 -0.022 25508 3265 1 7 . 1 1 73 73 TYR CA C 73 61.540 61.540 59.866 1.674 25508 3266 1 7 . 1 1 73 73 TYR CB C 73 38.266 38.266 38.190 0.076 25508 3267 1 7 . 1 1 73 73 TYR H H 73 7.800 7.800 7.759 0.041 25508 3268 1 7 . 1 1 74 74 PHE N N 74 111.749 111.749 116.339 -4.590 25508 3269 1 7 . 1 1 74 74 PHE HA H 74 3.886 3.886 4.023 -0.137 25508 3270 1 7 . 1 1 74 74 PHE C C 74 176.300 176.300 177.675 -1.375 25508 3271 1 7 . 1 1 74 74 PHE CA C 74 61.784 61.784 61.016 0.768 25508 3272 1 7 . 1 1 74 74 PHE CB C 74 39.690 39.690 39.135 0.555 25508 3273 1 7 . 1 1 74 74 PHE H H 74 7.139 7.139 7.399 -0.260 25508 3274 1 7 . 1 1 75 75 PHE N N 75 114.845 114.845 116.448 -1.603 25508 3275 1 7 . 1 1 75 75 PHE HA H 75 5.009 5.009 4.399 0.610 25508 3276 1 7 . 1 1 75 75 PHE C C 75 176.448 176.448 176.431 0.017 25508 3277 1 7 . 1 1 75 75 PHE CA C 75 56.575 56.575 58.461 -1.885 25508 3278 1 7 . 1 1 75 75 PHE CB C 75 40.353 40.353 37.929 2.424 25508 3279 1 7 . 1 1 75 75 PHE H H 75 8.275 8.275 7.384 0.891 25508 3280 1 7 . 1 1 76 76 GLY N N 76 109.977 109.977 106.911 3.066 25508 3281 1 7 . 1 1 76 76 GLY C C 76 173.602 173.602 175.393 -1.791 25508 3282 1 7 . 1 1 76 76 GLY CA C 76 45.375 45.375 45.262 0.113 25508 3283 1 7 . 1 1 76 76 GLY H H 76 7.836 7.836 7.601 0.235 25508 3284 1 7 . 1 1 77 77 GLU N N 77 120.068 120.068 123.153 -3.085 25508 3285 1 7 . 1 1 77 77 GLU HA H 77 4.259 4.259 3.951 0.308 25508 3286 1 7 . 1 1 77 77 GLU C C 77 176.925 176.925 178.319 -1.394 25508 3287 1 7 . 1 1 77 77 GLU CA C 77 56.647 56.647 58.656 -2.009 25508 3288 1 7 . 1 1 77 77 GLU CB C 77 30.694 30.694 29.228 1.466 25508 3289 1 7 . 1 1 77 77 GLU H H 77 8.445 8.445 8.578 -0.133 25508 3290 1 7 . 1 1 78 78 GLY N N 78 110.135 110.135 107.582 2.553 25508 3291 1 7 . 1 1 78 78 GLY C C 78 174.241 174.241 174.684 -0.443 25508 3292 1 7 . 1 1 78 78 GLY CA C 78 45.368 45.368 44.966 0.402 25508 3293 1 7 . 1 1 78 78 GLY H H 78 8.457 8.457 7.822 0.635 25508 3294 1 7 . 1 1 79 79 ALA N N 79 123.773 123.773 123.011 0.762 25508 3295 1 7 . 1 1 79 79 ALA HA H 79 4.208 4.208 4.202 0.006 25508 3296 1 7 . 1 1 79 79 ALA C C 79 177.657 177.657 176.612 1.045 25508 3297 1 7 . 1 1 79 79 ALA CA C 79 52.782 52.782 52.862 -0.080 25508 3298 1 7 . 1 1 79 79 ALA CB C 79 19.145 19.145 19.571 -0.426 25508 3299 1 7 . 1 1 79 79 ALA H H 79 8.195 8.195 7.634 0.561 25508 3300 1 7 . 1 1 80 80 ASP N N 80 118.833 118.833 118.424 0.409 25508 3301 1 7 . 1 1 80 80 ASP HA H 80 4.473 4.473 4.714 -0.241 25508 3302 1 7 . 1 1 80 80 ASP C C 80 176.374 176.374 175.388 0.986 25508 3303 1 7 . 1 1 80 80 ASP CA C 80 54.383 54.383 53.990 0.393 25508 3304 1 7 . 1 1 80 80 ASP CB C 80 40.940 40.940 41.313 -0.373 25508 3305 1 7 . 1 1 80 80 ASP H H 80 8.347 8.347 8.500 -0.153 25508 3306 1 7 . 1 1 81 81 GLN N N 81 120.376 120.376 119.557 0.819 25508 3307 1 7 . 1 1 81 81 GLN HA H 81 4.225 4.225 4.525 -0.300 25508 3308 1 7 . 1 1 81 81 GLN C C 81 176.029 176.029 175.941 0.088 25508 3309 1 7 . 1 1 81 81 GLN CA C 81 55.969 55.969 55.503 0.466 25508 3310 1 7 . 1 1 81 81 GLN CB C 81 29.242 29.242 30.349 -1.107 25508 3311 1 7 . 1 1 81 81 GLN H H 81 8.188 8.188 8.042 0.146 25508 3312 1 7 . 1 1 82 82 ALA N N 82 124.734 124.734 125.932 -1.198 25508 3313 1 7 . 1 1 82 82 ALA HA H 82 4.271 4.271 4.606 -0.335 25508 3314 1 7 . 1 1 82 82 ALA C C 82 178.011 178.011 176.501 1.510 25508 3315 1 7 . 1 1 82 82 ALA CA C 82 52.680 52.680 51.965 0.715 25508 3316 1 7 . 1 1 82 82 ALA CB C 82 19.023 19.023 18.030 0.993 25508 3317 1 7 . 1 1 82 82 ALA H H 82 8.307 8.307 8.616 -0.309 25508 3318 1 7 . 1 1 83 83 SER N N 83 114.999 114.999 114.623 0.376 25508 3319 1 7 . 1 1 83 83 SER HA H 83 4.368 4.368 4.570 -0.202 25508 3320 1 7 . 1 1 83 83 SER C C 83 175.141 175.141 173.328 1.813 25508 3321 1 7 . 1 1 83 83 SER CA C 83 58.843 58.843 58.551 0.292 25508 3322 1 7 . 1 1 83 83 SER CB C 83 63.849 63.849 65.057 -1.208 25508 3323 1 7 . 1 1 83 83 SER H H 83 8.269 8.269 7.851 0.418 25508 3324 1 7 . 1 1 84 84 GLY N N 84 110.722 110.722 111.030 -0.308 25508 3325 1 7 . 1 1 84 84 GLY C C 84 173.457 173.457 172.684 0.773 25508 3326 1 7 . 1 1 84 84 GLY CA C 84 45.168 45.168 45.451 -0.283 25508 3327 1 7 . 1 1 84 84 GLY H H 84 8.324 8.324 8.237 0.087 25508 3328 1 7 . 1 1 85 85 TYR N N 85 121.054 121.054 123.561 -2.507 25508 3329 1 7 . 1 1 85 85 TYR HA H 85 4.395 4.395 4.773 -0.378 25508 3330 1 7 . 1 1 85 85 TYR C C 85 174.866 174.866 175.419 -0.553 25508 3331 1 7 . 1 1 85 85 TYR CA C 85 58.433 58.433 57.435 0.998 25508 3332 1 7 . 1 1 85 85 TYR CB C 85 38.856 38.856 40.046 -1.190 25508 3333 1 7 . 1 1 85 85 TYR H H 85 7.982 7.982 8.037 -0.055 25508 3334 1 7 . 1 1 86 86 VAL N N 86 127.973 127.973 120.049 7.924 25508 3335 1 7 . 1 1 86 86 VAL CA C 86 58.815 58.815 61.770 -2.955 25508 3336 1 7 . 1 1 86 86 VAL CB C 86 33.360 33.360 30.441 2.919 25508 3337 1 7 . 1 1 86 86 VAL H H 86 7.734 7.734 8.626 -0.892 25508 3338 1 7 . 1 1 88 88 PRO HA H 88 4.320 4.320 4.501 -0.181 25508 3339 1 7 . 1 1 88 88 PRO C C 88 176.654 176.654 175.490 1.164 25508 3340 1 7 . 1 1 88 88 PRO CA C 88 62.735 62.735 62.867 -0.132 25508 3341 1 7 . 1 1 88 88 PRO CB C 88 32.007 32.007 32.263 -0.256 25508 3342 1 7 . 1 1 89 89 ALA N N 89 124.497 124.497 120.701 3.796 25508 3343 1 7 . 1 1 89 89 ALA HA H 89 4.213 4.213 4.634 -0.421 25508 3344 1 7 . 1 1 89 89 ALA C C 89 177.739 177.739 177.281 0.458 25508 3345 1 7 . 1 1 89 89 ALA CA C 89 52.564 52.564 51.881 0.683 25508 3346 1 7 . 1 1 89 89 ALA CB C 89 19.103 19.103 20.988 -1.885 25508 3347 1 7 . 1 1 89 89 ALA H H 89 8.332 8.332 8.566 -0.234 25508 3348 1 7 . 1 1 90 90 GLN N N 90 119.712 119.712 119.194 0.518 25508 3349 1 7 . 1 1 90 90 GLN HA H 90 4.301 4.301 4.536 -0.235 25508 3350 1 7 . 1 1 90 90 GLN C C 90 175.302 175.302 176.889 -1.587 25508 3351 1 7 . 1 1 90 90 GLN CA C 90 55.717 55.717 57.199 -1.482 25508 3352 1 7 . 1 1 90 90 GLN CB C 90 29.764 29.764 29.646 0.118 25508 3353 1 7 . 1 1 90 90 GLN H H 90 8.338 8.338 9.062 -0.725 25508 3354 1 8 . 1 1 2 2 ALA N N 2 125.581 125.581 124.792 0.789 25508 3355 1 8 . 1 1 2 2 ALA HA H 2 4.204 4.204 4.210 -0.006 25508 3356 1 8 . 1 1 2 2 ALA C C 2 176.764 176.764 177.479 -0.715 25508 3357 1 8 . 1 1 2 2 ALA CA C 2 52.280 52.280 53.686 -1.406 25508 3358 1 8 . 1 1 2 2 ALA CB C 2 19.494 19.494 19.167 0.327 25508 3359 1 8 . 1 1 2 2 ALA H H 2 8.203 8.203 8.304 -0.101 25508 3360 1 8 . 1 1 3 3 ARG N N 3 123.058 123.058 115.604 7.454 25508 3361 1 8 . 1 1 3 3 ARG HA H 3 4.247 4.247 4.545 -0.298 25508 3362 1 8 . 1 1 3 3 ARG C C 3 174.914 174.914 174.555 0.359 25508 3363 1 8 . 1 1 3 3 ARG CA C 3 55.678 55.678 55.019 0.659 25508 3364 1 8 . 1 1 3 3 ARG CB C 3 31.276 31.276 33.427 -2.151 25508 3365 1 8 . 1 1 3 3 ARG H H 3 8.649 8.649 8.165 0.484 25508 3366 1 8 . 1 1 4 4 MET N N 4 125.010 125.010 118.871 6.139 25508 3367 1 8 . 1 1 4 4 MET HA H 4 4.966 4.966 4.921 0.045 25508 3368 1 8 . 1 1 4 4 MET C C 4 176.144 176.144 174.665 1.479 25508 3369 1 8 . 1 1 4 4 MET CA C 4 53.311 53.311 55.051 -1.740 25508 3370 1 8 . 1 1 4 4 MET CB C 4 32.120 32.120 33.357 -1.237 25508 3371 1 8 . 1 1 4 4 MET H H 4 8.427 8.427 8.529 -0.102 25508 3372 1 8 . 1 1 5 5 ILE N N 5 117.850 117.850 117.701 0.149 25508 3373 1 8 . 1 1 5 5 ILE HA H 5 4.623 4.623 4.626 -0.003 25508 3374 1 8 . 1 1 5 5 ILE C C 5 174.207 174.207 173.625 0.582 25508 3375 1 8 . 1 1 5 5 ILE CA C 5 58.353 58.353 59.035 -0.682 25508 3376 1 8 . 1 1 5 5 ILE CB C 5 42.910 42.910 42.056 0.854 25508 3377 1 8 . 1 1 5 5 ILE H H 5 8.860 8.860 8.474 0.386 25508 3378 1 8 . 1 1 6 6 HIS N N 6 120.378 120.378 118.899 1.479 25508 3379 1 8 . 1 1 6 6 HIS HA H 6 4.301 4.301 5.096 -0.795 25508 3380 1 8 . 1 1 6 6 HIS C C 6 173.087 173.087 175.251 -2.164 25508 3381 1 8 . 1 1 6 6 HIS CA C 6 56.131 56.131 53.885 2.246 25508 3382 1 8 . 1 1 6 6 HIS CB C 6 28.508 28.508 28.182 0.326 25508 3383 1 8 . 1 1 6 6 HIS H H 6 8.506 8.506 8.137 0.369 25508 3384 1 8 . 1 1 7 7 CYS N N 7 131.021 131.021 121.557 9.464 25508 3385 1 8 . 1 1 7 7 CYS HA H 7 4.154 4.154 4.260 -0.106 25508 3386 1 8 . 1 1 7 7 CYS C C 7 177.621 177.621 175.866 1.755 25508 3387 1 8 . 1 1 7 7 CYS CA C 7 61.346 61.346 58.543 2.803 25508 3388 1 8 . 1 1 7 7 CYS CB C 7 31.004 31.004 27.219 3.785 25508 3389 1 8 . 1 1 7 7 CYS H H 7 7.873 7.873 7.931 -0.058 25508 3390 1 8 . 1 1 8 8 ALA N N 8 133.325 133.325 128.143 5.182 25508 3391 1 8 . 1 1 8 8 ALA HA H 8 4.229 4.229 3.817 0.412 25508 3392 1 8 . 1 1 8 8 ALA C C 8 178.608 178.608 177.504 1.104 25508 3393 1 8 . 1 1 8 8 ALA CA C 8 54.478 54.478 53.369 1.109 25508 3394 1 8 . 1 1 8 8 ALA CB C 8 19.264 19.264 17.740 1.524 25508 3395 1 8 . 1 1 8 8 ALA H H 8 9.543 9.543 7.858 1.685 25508 3396 1 8 . 1 1 9 9 LYS N N 9 122.128 122.128 115.956 6.172 25508 3397 1 8 . 1 1 9 9 LYS CA C 9 56.353 56.353 57.934 -1.581 25508 3398 1 8 . 1 1 9 9 LYS CB C 9 33.619 33.619 32.506 1.113 25508 3399 1 8 . 1 1 9 9 LYS H H 9 9.739 9.739 8.199 1.540 25508 3400 1 8 . 1 1 10 10 LEU HA H 10 4.194 4.194 4.546 -0.352 25508 3401 1 8 . 1 1 10 10 LEU C C 10 178.870 178.870 177.268 1.602 25508 3402 1 8 . 1 1 10 10 LEU CA C 10 55.934 55.934 54.645 1.289 25508 3403 1 8 . 1 1 10 10 LEU CB C 10 42.693 42.693 43.735 -1.042 25508 3404 1 8 . 1 1 11 11 GLY N N 11 107.385 107.385 106.495 0.890 25508 3405 1 8 . 1 1 11 11 GLY C C 11 173.268 173.268 173.091 0.177 25508 3406 1 8 . 1 1 11 11 GLY CA C 11 46.756 46.756 44.823 1.933 25508 3407 1 8 . 1 1 11 11 GLY H H 11 8.258 8.258 8.455 -0.197 25508 3408 1 8 . 1 1 12 12 LYS N N 12 112.456 112.456 118.603 -6.147 25508 3409 1 8 . 1 1 12 12 LYS HA H 12 4.547 4.547 4.606 -0.059 25508 3410 1 8 . 1 1 12 12 LYS C C 12 173.822 173.822 174.238 -0.416 25508 3411 1 8 . 1 1 12 12 LYS CA C 12 53.523 53.523 53.937 -0.414 25508 3412 1 8 . 1 1 12 12 LYS CB C 12 35.156 35.156 35.359 -0.203 25508 3413 1 8 . 1 1 12 12 LYS H H 12 6.772 6.772 7.537 -0.765 25508 3414 1 8 . 1 1 13 13 GLU N N 13 121.058 121.058 119.621 1.437 25508 3415 1 8 . 1 1 13 13 GLU HA H 13 4.874 4.874 4.661 0.213 25508 3416 1 8 . 1 1 13 13 GLU C C 13 176.290 176.290 175.560 0.730 25508 3417 1 8 . 1 1 13 13 GLU CA C 13 56.291 56.291 55.913 0.378 25508 3418 1 8 . 1 1 13 13 GLU CB C 13 29.827 29.827 30.595 -0.768 25508 3419 1 8 . 1 1 13 13 GLU H H 13 8.402 8.402 8.611 -0.209 25508 3420 1 8 . 1 1 14 14 ALA N N 14 127.978 127.978 128.342 -0.364 25508 3421 1 8 . 1 1 14 14 ALA HA H 14 4.514 4.514 4.738 -0.224 25508 3422 1 8 . 1 1 14 14 ALA C C 14 175.156 175.156 175.441 -0.285 25508 3423 1 8 . 1 1 14 14 ALA CA C 14 51.437 51.437 50.617 0.820 25508 3424 1 8 . 1 1 14 14 ALA CB C 14 23.586 23.586 21.811 1.775 25508 3425 1 8 . 1 1 14 14 ALA H H 14 9.330 9.330 8.580 0.750 25508 3426 1 8 . 1 1 15 15 GLU N N 15 120.272 120.272 118.422 1.850 25508 3427 1 8 . 1 1 15 15 GLU HA H 15 4.573 4.573 4.839 -0.266 25508 3428 1 8 . 1 1 15 15 GLU C C 15 178.292 178.292 177.025 1.267 25508 3429 1 8 . 1 1 15 15 GLU CA C 15 57.645 57.645 55.537 2.108 25508 3430 1 8 . 1 1 15 15 GLU CB C 15 30.016 30.016 30.361 -0.345 25508 3431 1 8 . 1 1 15 15 GLU H H 15 8.560 8.560 8.549 0.011 25508 3432 1 8 . 1 1 16 16 GLY N N 16 113.246 113.246 109.883 3.363 25508 3433 1 8 . 1 1 16 16 GLY C C 16 172.877 172.877 174.498 -1.621 25508 3434 1 8 . 1 1 16 16 GLY CA C 16 44.636 44.636 44.328 0.308 25508 3435 1 8 . 1 1 16 16 GLY H H 16 9.236 9.236 8.347 0.889 25508 3436 1 8 . 1 1 17 17 LEU N N 17 120.058 120.058 121.934 -1.876 25508 3437 1 8 . 1 1 17 17 LEU HA H 17 3.960 3.960 4.072 -0.112 25508 3438 1 8 . 1 1 17 17 LEU C C 17 177.457 177.457 177.251 0.206 25508 3439 1 8 . 1 1 17 17 LEU CA C 17 55.375 55.375 55.891 -0.516 25508 3440 1 8 . 1 1 17 17 LEU CB C 17 43.355 43.355 42.357 0.998 25508 3441 1 8 . 1 1 17 17 LEU H H 17 9.482 9.482 8.234 1.248 25508 3442 1 8 . 1 1 18 18 ASP N N 18 118.600 118.600 117.959 0.641 25508 3443 1 8 . 1 1 18 18 ASP HA H 18 4.531 4.531 4.427 0.104 25508 3444 1 8 . 1 1 18 18 ASP C C 18 175.929 175.929 174.430 1.499 25508 3445 1 8 . 1 1 18 18 ASP CA C 18 56.544 56.544 55.578 0.966 25508 3446 1 8 . 1 1 18 18 ASP CB C 18 41.655 41.655 40.126 1.529 25508 3447 1 8 . 1 1 18 18 ASP H H 18 8.848 8.848 8.313 0.535 25508 3448 1 8 . 1 1 19 19 PHE N N 19 113.195 113.195 117.240 -4.045 25508 3449 1 8 . 1 1 19 19 PHE CA C 19 55.070 55.070 55.308 -0.238 25508 3450 1 8 . 1 1 19 19 PHE CB C 19 38.588 38.588 40.981 -2.393 25508 3451 1 8 . 1 1 19 19 PHE H H 19 7.108 7.108 7.408 -0.300 25508 3452 1 8 . 1 1 21 21 PRO HA H 21 4.357 4.357 4.642 -0.285 25508 3453 1 8 . 1 1 21 21 PRO C C 21 174.627 174.627 176.130 -1.503 25508 3454 1 8 . 1 1 21 21 PRO CA C 21 63.914 63.914 64.385 -0.470 25508 3455 1 8 . 1 1 21 21 PRO CB C 21 31.431 31.431 32.622 -1.191 25508 3456 1 8 . 1 1 22 22 LEU N N 22 117.643 117.643 116.244 1.399 25508 3457 1 8 . 1 1 22 22 LEU CA C 22 51.462 51.462 52.032 -0.570 25508 3458 1 8 . 1 1 22 22 LEU CB C 22 46.011 46.011 44.569 1.442 25508 3459 1 8 . 1 1 22 22 LEU H H 22 6.788 6.788 7.412 -0.624 25508 3460 1 8 . 1 1 24 24 GLY N N 24 105.443 105.443 109.165 -3.722 25508 3461 1 8 . 1 1 24 24 GLY C C 24 175.297 175.297 175.484 -0.187 25508 3462 1 8 . 1 1 24 24 GLY CA C 24 45.381 45.381 43.866 1.515 25508 3463 1 8 . 1 1 24 24 GLY H H 24 8.367 8.367 7.684 0.683 25508 3464 1 8 . 1 1 25 25 GLU N N 25 122.031 122.031 119.926 2.105 25508 3465 1 8 . 1 1 25 25 GLU HA H 25 3.887 3.887 4.105 -0.218 25508 3466 1 8 . 1 1 25 25 GLU C C 25 179.015 179.015 177.853 1.162 25508 3467 1 8 . 1 1 25 25 GLU CA C 25 59.283 59.283 58.655 0.628 25508 3468 1 8 . 1 1 25 25 GLU CB C 25 29.176 29.176 29.614 -0.438 25508 3469 1 8 . 1 1 25 25 GLU H H 25 8.737 8.737 8.828 -0.091 25508 3470 1 8 . 1 1 26 26 LEU N N 26 120.531 120.531 118.796 1.735 25508 3471 1 8 . 1 1 26 26 LEU HA H 26 4.104 4.104 4.211 -0.107 25508 3472 1 8 . 1 1 26 26 LEU C C 26 178.836 178.836 178.150 0.686 25508 3473 1 8 . 1 1 26 26 LEU CA C 26 57.981 57.981 56.665 1.316 25508 3474 1 8 . 1 1 26 26 LEU CB C 26 40.939 40.939 41.818 -0.879 25508 3475 1 8 . 1 1 26 26 LEU H H 26 8.852 8.852 7.819 1.033 25508 3476 1 8 . 1 1 27 27 GLY N N 27 102.599 102.599 106.947 -4.348 25508 3477 1 8 . 1 1 27 27 GLY C C 27 175.874 175.874 175.642 0.232 25508 3478 1 8 . 1 1 27 27 GLY CA C 27 48.024 48.024 47.398 0.626 25508 3479 1 8 . 1 1 27 27 GLY H H 27 6.894 6.894 7.613 -0.719 25508 3480 1 8 . 1 1 28 28 LYS N N 28 122.738 122.738 119.870 2.868 25508 3481 1 8 . 1 1 28 28 LYS HA H 28 3.914 3.914 4.423 -0.509 25508 3482 1 8 . 1 1 28 28 LYS C C 28 177.965 177.965 178.483 -0.518 25508 3483 1 8 . 1 1 28 28 LYS CA C 28 59.844 59.844 58.991 0.853 25508 3484 1 8 . 1 1 28 28 LYS CB C 28 32.169 32.169 32.080 0.089 25508 3485 1 8 . 1 1 28 28 LYS H H 28 7.449 7.449 7.660 -0.211 25508 3486 1 8 . 1 1 29 29 ARG N N 29 119.988 119.988 116.796 3.192 25508 3487 1 8 . 1 1 29 29 ARG HA H 29 3.998 3.998 4.323 -0.325 25508 3488 1 8 . 1 1 29 29 ARG CA C 29 59.876 59.876 57.351 2.525 25508 3489 1 8 . 1 1 29 29 ARG CB C 29 30.829 30.829 30.126 0.703 25508 3490 1 8 . 1 1 29 29 ARG H H 29 8.194 8.194 7.433 0.761 25508 3491 1 8 . 1 1 30 30 LEU N N 30 119.547 119.547 119.528 0.019 25508 3492 1 8 . 1 1 30 30 LEU HA H 30 3.849 3.849 4.311 -0.462 25508 3493 1 8 . 1 1 30 30 LEU C C 30 177.351 177.351 178.569 -1.218 25508 3494 1 8 . 1 1 30 30 LEU CA C 30 58.068 58.068 57.775 0.293 25508 3495 1 8 . 1 1 30 30 LEU CB C 30 41.547 41.547 42.823 -1.276 25508 3496 1 8 . 1 1 30 30 LEU H H 30 8.333 8.333 7.952 0.381 25508 3497 1 8 . 1 1 31 31 TYR N N 31 118.033 118.033 117.510 0.523 25508 3498 1 8 . 1 1 31 31 TYR HA H 31 3.895 3.895 4.212 -0.317 25508 3499 1 8 . 1 1 31 31 TYR C C 31 178.434 178.434 176.384 2.050 25508 3500 1 8 . 1 1 31 31 TYR CA C 31 61.391 61.391 60.504 0.887 25508 3501 1 8 . 1 1 31 31 TYR CB C 31 39.083 39.083 37.893 1.190 25508 3502 1 8 . 1 1 31 31 TYR H H 31 8.106 8.106 8.112 -0.006 25508 3503 1 8 . 1 1 32 32 GLU N N 32 117.126 117.126 116.274 0.852 25508 3504 1 8 . 1 1 32 32 GLU HA H 32 3.926 3.926 3.790 0.136 25508 3505 1 8 . 1 1 32 32 GLU C C 32 178.370 178.370 175.897 2.473 25508 3506 1 8 . 1 1 32 32 GLU CA C 32 58.603 58.603 56.694 1.909 25508 3507 1 8 . 1 1 32 32 GLU CB C 32 30.580 30.580 28.779 1.801 25508 3508 1 8 . 1 1 32 32 GLU H H 32 8.260 8.260 7.617 0.643 25508 3509 1 8 . 1 1 33 33 SER N N 33 108.887 108.887 114.898 -6.011 25508 3510 1 8 . 1 1 33 33 SER HA H 33 4.910 4.910 4.466 0.444 25508 3511 1 8 . 1 1 33 33 SER C C 33 171.776 171.776 174.098 -2.322 25508 3512 1 8 . 1 1 33 33 SER CA C 33 60.399 60.399 58.937 1.462 25508 3513 1 8 . 1 1 33 33 SER CB C 33 67.057 67.057 65.392 1.665 25508 3514 1 8 . 1 1 33 33 SER H H 33 7.553 7.553 7.543 0.010 25508 3515 1 8 . 1 1 34 34 VAL N N 34 120.097 120.097 117.840 2.257 25508 3516 1 8 . 1 1 34 34 VAL CA C 34 61.287 61.287 61.863 -0.576 25508 3517 1 8 . 1 1 34 34 VAL CB C 34 34.048 34.048 32.927 1.121 25508 3518 1 8 . 1 1 34 34 VAL H H 34 8.396 8.396 8.077 0.319 25508 3519 1 8 . 1 1 35 35 SER HA H 35 4.107 4.107 4.972 -0.865 25508 3520 1 8 . 1 1 35 35 SER C C 35 174.321 174.321 174.805 -0.484 25508 3521 1 8 . 1 1 35 35 SER CA C 35 58.771 58.771 56.289 2.482 25508 3522 1 8 . 1 1 35 35 SER CB C 35 66.899 66.899 66.411 0.488 25508 3523 1 8 . 1 1 36 36 LYS N N 36 119.115 119.115 122.205 -3.090 25508 3524 1 8 . 1 1 36 36 LYS HA H 36 4.016 4.016 4.065 -0.049 25508 3525 1 8 . 1 1 36 36 LYS C C 36 179.407 179.407 178.075 1.332 25508 3526 1 8 . 1 1 36 36 LYS CA C 36 60.728 60.728 59.184 1.544 25508 3527 1 8 . 1 1 36 36 LYS CB C 36 32.746 32.746 32.542 0.203 25508 3528 1 8 . 1 1 36 36 LYS H H 36 8.562 8.562 8.635 -0.073 25508 3529 1 8 . 1 1 37 37 GLN N N 37 118.142 118.142 118.982 -0.840 25508 3530 1 8 . 1 1 37 37 GLN HA H 37 3.970 3.970 4.237 -0.267 25508 3531 1 8 . 1 1 37 37 GLN C C 37 177.580 177.580 177.501 0.079 25508 3532 1 8 . 1 1 37 37 GLN CA C 37 59.134 59.134 58.418 0.716 25508 3533 1 8 . 1 1 37 37 GLN CB C 37 28.534 28.534 27.970 0.564 25508 3534 1 8 . 1 1 37 37 GLN H H 37 8.958 8.958 8.423 0.535 25508 3535 1 8 . 1 1 38 38 ALA N N 38 121.173 121.173 122.237 -1.064 25508 3536 1 8 . 1 1 38 38 ALA HA H 38 4.409 4.409 4.150 0.259 25508 3537 1 8 . 1 1 38 38 ALA C C 38 181.081 181.081 179.317 1.764 25508 3538 1 8 . 1 1 38 38 ALA CA C 38 55.065 55.065 54.225 0.840 25508 3539 1 8 . 1 1 38 38 ALA CB C 38 19.574 19.574 18.003 1.571 25508 3540 1 8 . 1 1 38 38 ALA H H 38 8.233 8.233 8.148 0.085 25508 3541 1 8 . 1 1 39 39 TRP N N 39 121.046 121.046 120.305 0.741 25508 3542 1 8 . 1 1 39 39 TRP HA H 39 4.898 4.898 4.396 0.502 25508 3543 1 8 . 1 1 39 39 TRP C C 39 176.886 176.886 177.777 -0.891 25508 3544 1 8 . 1 1 39 39 TRP CA C 39 60.403 60.403 60.608 -0.205 25508 3545 1 8 . 1 1 39 39 TRP CB C 39 30.640 30.640 29.659 0.981 25508 3546 1 8 . 1 1 39 39 TRP H H 39 8.891 8.891 8.563 0.328 25508 3547 1 8 . 1 1 40 40 GLN N N 40 117.010 117.010 116.712 0.298 25508 3548 1 8 . 1 1 40 40 GLN HA H 40 3.715 3.715 3.892 -0.177 25508 3549 1 8 . 1 1 40 40 GLN C C 40 179.512 179.512 178.380 1.132 25508 3550 1 8 . 1 1 40 40 GLN CA C 40 59.159 59.159 58.578 0.581 25508 3551 1 8 . 1 1 40 40 GLN CB C 40 27.821 27.821 28.019 -0.198 25508 3552 1 8 . 1 1 40 40 GLN H H 40 8.541 8.541 7.556 0.985 25508 3553 1 8 . 1 1 41 41 ASP N N 41 120.036 120.036 120.458 -0.422 25508 3554 1 8 . 1 1 41 41 ASP HA H 41 4.396 4.396 4.357 0.039 25508 3555 1 8 . 1 1 41 41 ASP C C 41 179.637 179.637 178.222 1.415 25508 3556 1 8 . 1 1 41 41 ASP CA C 41 57.571 57.571 57.337 0.234 25508 3557 1 8 . 1 1 41 41 ASP CB C 41 40.205 40.205 40.911 -0.706 25508 3558 1 8 . 1 1 41 41 ASP H H 41 8.119 8.119 7.550 0.569 25508 3559 1 8 . 1 1 42 42 TRP N N 42 123.295 123.295 120.978 2.317 25508 3560 1 8 . 1 1 42 42 TRP HA H 42 3.992 3.992 4.292 -0.300 25508 3561 1 8 . 1 1 42 42 TRP C C 42 176.559 176.559 177.999 -1.440 25508 3562 1 8 . 1 1 42 42 TRP CA C 42 58.825 58.825 60.559 -1.734 25508 3563 1 8 . 1 1 42 42 TRP CB C 42 30.101 30.101 29.265 0.836 25508 3564 1 8 . 1 1 42 42 TRP H H 42 8.015 8.015 8.659 -0.644 25508 3565 1 8 . 1 1 43 43 LEU N N 43 118.444 118.444 119.246 -0.802 25508 3566 1 8 . 1 1 43 43 LEU HA H 43 3.073 3.073 3.425 -0.352 25508 3567 1 8 . 1 1 43 43 LEU C C 43 180.127 180.127 178.535 1.592 25508 3568 1 8 . 1 1 43 43 LEU CA C 43 57.710 57.710 57.575 0.135 25508 3569 1 8 . 1 1 43 43 LEU CB C 43 40.675 40.675 41.360 -0.685 25508 3570 1 8 . 1 1 43 43 LEU H H 43 8.027 8.027 7.018 1.009 25508 3571 1 8 . 1 1 44 44 LYS N N 44 117.577 117.577 119.127 -1.550 25508 3572 1 8 . 1 1 44 44 LYS HA H 44 3.871 3.871 3.805 0.066 25508 3573 1 8 . 1 1 44 44 LYS C C 44 179.010 179.010 179.078 -0.068 25508 3574 1 8 . 1 1 44 44 LYS CA C 44 59.496 59.496 59.347 0.149 25508 3575 1 8 . 1 1 44 44 LYS CB C 44 32.301 32.301 31.810 0.491 25508 3576 1 8 . 1 1 44 44 LYS H H 44 7.065 7.065 7.370 -0.305 25508 3577 1 8 . 1 1 45 45 GLN N N 45 120.755 120.755 117.666 3.089 25508 3578 1 8 . 1 1 45 45 GLN HA H 45 3.834 3.834 3.975 -0.141 25508 3579 1 8 . 1 1 45 45 GLN C C 45 177.807 177.807 178.158 -0.351 25508 3580 1 8 . 1 1 45 45 GLN CA C 45 57.760 57.760 58.567 -0.807 25508 3581 1 8 . 1 1 45 45 GLN CB C 45 27.623 27.623 27.809 -0.186 25508 3582 1 8 . 1 1 45 45 GLN H H 45 7.033 7.033 7.628 -0.595 25508 3583 1 8 . 1 1 46 46 GLN N N 46 120.768 120.768 118.964 1.804 25508 3584 1 8 . 1 1 46 46 GLN HA H 46 3.065 3.065 3.849 -0.784 25508 3585 1 8 . 1 1 46 46 GLN C C 46 177.167 177.167 178.221 -1.054 25508 3586 1 8 . 1 1 46 46 GLN CA C 46 59.136 59.136 59.325 -0.189 25508 3587 1 8 . 1 1 46 46 GLN CB C 46 28.416 28.416 28.345 0.071 25508 3588 1 8 . 1 1 46 46 GLN H H 46 8.346 8.346 7.729 0.617 25508 3589 1 8 . 1 1 47 47 THR N N 47 114.925 114.925 115.497 -0.572 25508 3590 1 8 . 1 1 47 47 THR HA H 47 3.690 3.690 4.116 -0.426 25508 3591 1 8 . 1 1 47 47 THR C C 47 175.615 175.615 176.407 -0.792 25508 3592 1 8 . 1 1 47 47 THR CA C 47 66.804 66.804 65.398 1.405 25508 3593 1 8 . 1 1 47 47 THR CB C 47 68.895 68.895 68.749 0.146 25508 3594 1 8 . 1 1 47 47 THR H H 47 7.629 7.629 7.524 0.105 25508 3595 1 8 . 1 1 48 48 MET N N 48 120.050 120.050 121.301 -1.251 25508 3596 1 8 . 1 1 48 48 MET HA H 48 4.117 4.117 4.175 -0.058 25508 3597 1 8 . 1 1 48 48 MET C C 48 177.928 177.928 178.333 -0.405 25508 3598 1 8 . 1 1 48 48 MET CA C 48 59.041 59.041 58.723 0.318 25508 3599 1 8 . 1 1 48 48 MET CB C 48 31.985 31.985 32.077 -0.092 25508 3600 1 8 . 1 1 48 48 MET H H 48 7.077 7.077 7.607 -0.530 25508 3601 1 8 . 1 1 49 49 LEU N N 49 120.156 120.156 119.074 1.082 25508 3602 1 8 . 1 1 49 49 LEU HA H 49 3.991 3.991 4.097 -0.106 25508 3603 1 8 . 1 1 49 49 LEU C C 49 180.284 180.284 179.187 1.097 25508 3604 1 8 . 1 1 49 49 LEU CA C 49 58.157 58.157 57.364 0.793 25508 3605 1 8 . 1 1 49 49 LEU CB C 49 42.723 42.723 41.297 1.426 25508 3606 1 8 . 1 1 49 49 LEU H H 49 7.982 7.982 8.727 -0.745 25508 3607 1 8 . 1 1 50 50 ILE N N 50 119.987 119.987 119.800 0.187 25508 3608 1 8 . 1 1 50 50 ILE HA H 50 3.487 3.487 3.546 -0.059 25508 3609 1 8 . 1 1 50 50 ILE C C 50 178.074 178.074 177.530 0.544 25508 3610 1 8 . 1 1 50 50 ILE CA C 50 65.734 65.734 65.372 0.362 25508 3611 1 8 . 1 1 50 50 ILE CB C 50 38.622 38.622 37.528 1.095 25508 3612 1 8 . 1 1 50 50 ILE H H 50 8.275 8.275 7.558 0.717 25508 3613 1 8 . 1 1 51 51 ASN N N 51 117.331 117.331 116.849 0.482 25508 3614 1 8 . 1 1 51 51 ASN HA H 51 4.493 4.493 4.534 -0.041 25508 3615 1 8 . 1 1 51 51 ASN C C 51 178.621 178.621 176.986 1.635 25508 3616 1 8 . 1 1 51 51 ASN CA C 51 55.787 55.787 55.775 0.012 25508 3617 1 8 . 1 1 51 51 ASN CB C 51 38.273 38.273 38.983 -0.710 25508 3618 1 8 . 1 1 51 51 ASN H H 51 7.902 7.902 8.018 -0.116 25508 3619 1 8 . 1 1 52 52 GLU N N 52 120.128 120.128 120.166 -0.038 25508 3620 1 8 . 1 1 52 52 GLU HA H 52 4.006 4.006 4.214 -0.208 25508 3621 1 8 . 1 1 52 52 GLU C C 52 177.628 177.628 177.858 -0.230 25508 3622 1 8 . 1 1 52 52 GLU CA C 52 59.034 59.034 58.451 0.583 25508 3623 1 8 . 1 1 52 52 GLU CB C 52 29.714 29.714 29.855 -0.141 25508 3624 1 8 . 1 1 52 52 GLU H H 52 8.958 8.958 8.024 0.934 25508 3625 1 8 . 1 1 53 53 ASN N N 53 112.872 112.872 115.261 -2.389 25508 3626 1 8 . 1 1 53 53 ASN HA H 53 4.666 4.666 4.631 0.035 25508 3627 1 8 . 1 1 53 53 ASN C C 53 173.022 173.022 174.616 -1.594 25508 3628 1 8 . 1 1 53 53 ASN CA C 53 53.416 53.416 53.549 -0.133 25508 3629 1 8 . 1 1 53 53 ASN CB C 53 38.938 38.938 39.032 -0.094 25508 3630 1 8 . 1 1 53 53 ASN H H 53 7.535 7.535 8.133 -0.598 25508 3631 1 8 . 1 1 54 54 ARG N N 54 118.579 118.579 116.190 2.389 25508 3632 1 8 . 1 1 54 54 ARG HA H 54 3.975 3.975 4.091 -0.116 25508 3633 1 8 . 1 1 54 54 ARG C C 54 176.170 176.170 175.179 0.991 25508 3634 1 8 . 1 1 54 54 ARG CA C 54 56.615 56.615 56.650 -0.035 25508 3635 1 8 . 1 1 54 54 ARG CB C 54 27.180 27.180 27.139 0.041 25508 3636 1 8 . 1 1 54 54 ARG H H 54 7.696 7.696 7.389 0.307 25508 3637 1 8 . 1 1 55 55 LEU N N 55 116.705 116.705 119.302 -2.597 25508 3638 1 8 . 1 1 55 55 LEU HA H 55 4.097 4.097 4.414 -0.317 25508 3639 1 8 . 1 1 55 55 LEU C C 55 176.242 176.242 177.315 -1.073 25508 3640 1 8 . 1 1 55 55 LEU CA C 55 55.099 55.099 53.529 1.570 25508 3641 1 8 . 1 1 55 55 LEU CB C 55 42.694 42.694 42.862 -0.168 25508 3642 1 8 . 1 1 55 55 LEU H H 55 7.927 7.927 7.538 0.389 25508 3643 1 8 . 1 1 56 56 ASN N N 56 120.616 120.616 119.013 1.603 25508 3644 1 8 . 1 1 56 56 ASN HA H 56 4.708 4.708 4.898 -0.190 25508 3645 1 8 . 1 1 56 56 ASN C C 56 176.058 176.058 175.978 0.080 25508 3646 1 8 . 1 1 56 56 ASN CA C 56 51.440 51.440 51.971 -0.531 25508 3647 1 8 . 1 1 56 56 ASN CB C 56 38.554 38.554 38.164 0.390 25508 3648 1 8 . 1 1 56 56 ASN H H 56 8.530 8.530 8.567 -0.037 25508 3649 1 8 . 1 1 57 57 MET N N 57 121.659 121.659 121.908 -0.249 25508 3650 1 8 . 1 1 57 57 MET HA H 57 4.341 4.341 4.082 0.259 25508 3651 1 8 . 1 1 57 57 MET C C 57 176.694 176.694 177.718 -1.024 25508 3652 1 8 . 1 1 57 57 MET CA C 57 55.717 55.717 59.483 -3.766 25508 3653 1 8 . 1 1 57 57 MET CB C 57 30.266 30.266 32.008 -1.742 25508 3654 1 8 . 1 1 57 57 MET H H 57 8.628 8.628 7.710 0.918 25508 3655 1 8 . 1 1 58 58 ALA N N 58 120.515 120.515 121.133 -0.618 25508 3656 1 8 . 1 1 58 58 ALA HA H 58 4.267 4.267 4.096 0.171 25508 3657 1 8 . 1 1 58 58 ALA C C 58 177.625 177.625 177.855 -0.230 25508 3658 1 8 . 1 1 58 58 ALA CA C 58 52.643 52.643 53.801 -1.158 25508 3659 1 8 . 1 1 58 58 ALA CB C 58 18.667 18.667 18.350 0.317 25508 3660 1 8 . 1 1 58 58 ALA H H 58 7.988 7.988 8.127 -0.139 25508 3661 1 8 . 1 1 59 59 ASP N N 59 121.926 121.926 116.759 5.167 25508 3662 1 8 . 1 1 59 59 ASP CA C 59 50.871 50.871 51.396 -0.525 25508 3663 1 8 . 1 1 59 59 ASP CB C 59 42.450 42.450 41.624 0.826 25508 3664 1 8 . 1 1 59 59 ASP H H 59 8.024 8.024 7.636 0.388 25508 3665 1 8 . 1 1 60 60 PRO HA H 60 4.186 4.186 4.382 -0.196 25508 3666 1 8 . 1 1 60 60 PRO C C 60 179.232 179.232 177.815 1.417 25508 3667 1 8 . 1 1 60 60 PRO CA C 60 65.347 65.347 64.341 1.006 25508 3668 1 8 . 1 1 60 60 PRO CB C 60 32.399 32.399 32.346 0.052 25508 3669 1 8 . 1 1 61 61 ARG N N 61 117.390 117.390 118.884 -1.494 25508 3670 1 8 . 1 1 61 61 ARG HA H 61 4.107 4.107 4.159 -0.052 25508 3671 1 8 . 1 1 61 61 ARG C C 61 179.817 179.817 178.157 1.660 25508 3672 1 8 . 1 1 61 61 ARG CA C 61 59.098 59.098 58.691 0.407 25508 3673 1 8 . 1 1 61 61 ARG CB C 61 29.670 29.670 28.794 0.876 25508 3674 1 8 . 1 1 61 61 ARG H H 61 8.597 8.597 8.600 -0.003 25508 3675 1 8 . 1 1 62 62 ALA N N 62 124.172 124.172 119.959 4.213 25508 3676 1 8 . 1 1 62 62 ALA HA H 62 4.201 4.201 4.323 -0.122 25508 3677 1 8 . 1 1 62 62 ALA C C 62 179.726 179.726 179.465 0.261 25508 3678 1 8 . 1 1 62 62 ALA CA C 62 55.011 55.011 54.234 0.777 25508 3679 1 8 . 1 1 62 62 ALA CB C 62 19.251 19.251 18.570 0.681 25508 3680 1 8 . 1 1 62 62 ALA H H 62 7.597 7.597 7.573 0.024 25508 3681 1 8 . 1 1 63 63 ARG N N 63 116.483 116.483 117.643 -1.160 25508 3682 1 8 . 1 1 63 63 ARG HA H 63 3.985 3.985 4.292 -0.307 25508 3683 1 8 . 1 1 63 63 ARG C C 63 179.234 179.234 178.816 0.418 25508 3684 1 8 . 1 1 63 63 ARG CA C 63 60.029 60.029 57.368 2.661 25508 3685 1 8 . 1 1 63 63 ARG CB C 63 29.806 29.806 29.512 0.294 25508 3686 1 8 . 1 1 63 63 ARG H H 63 7.640 7.640 7.821 -0.181 25508 3687 1 8 . 1 1 64 64 GLN N N 64 119.143 119.143 117.481 1.662 25508 3688 1 8 . 1 1 64 64 GLN HA H 64 4.095 4.095 4.218 -0.123 25508 3689 1 8 . 1 1 64 64 GLN C C 64 178.261 178.261 176.787 1.474 25508 3690 1 8 . 1 1 64 64 GLN CA C 64 59.183 59.183 58.227 0.956 25508 3691 1 8 . 1 1 64 64 GLN CB C 64 28.266 28.266 29.005 -0.739 25508 3692 1 8 . 1 1 64 64 GLN H H 64 8.114 8.114 8.145 -0.031 25508 3693 1 8 . 1 1 65 65 TYR N N 65 121.413 121.413 118.698 2.715 25508 3694 1 8 . 1 1 65 65 TYR HA H 65 4.321 4.321 4.501 -0.180 25508 3695 1 8 . 1 1 65 65 TYR C C 65 180.478 180.478 176.857 3.621 25508 3696 1 8 . 1 1 65 65 TYR CA C 65 61.407 61.407 60.142 1.265 25508 3697 1 8 . 1 1 65 65 TYR CB C 65 37.831 37.831 39.384 -1.553 25508 3698 1 8 . 1 1 65 65 TYR H H 65 7.929 7.929 7.710 0.219 25508 3699 1 8 . 1 1 66 66 LEU N N 66 119.499 119.499 121.118 -1.619 25508 3700 1 8 . 1 1 66 66 LEU HA H 66 3.870 3.870 3.985 -0.115 25508 3701 1 8 . 1 1 66 66 LEU C C 66 180.847 180.847 178.853 1.994 25508 3702 1 8 . 1 1 66 66 LEU CA C 66 57.959 57.959 57.600 0.359 25508 3703 1 8 . 1 1 66 66 LEU CB C 66 41.522 41.522 41.948 -0.426 25508 3704 1 8 . 1 1 66 66 LEU H H 66 8.328 8.328 7.823 0.505 25508 3705 1 8 . 1 1 67 67 MET N N 67 122.316 122.316 116.486 5.830 25508 3706 1 8 . 1 1 67 67 MET HA H 67 4.100 4.100 4.327 -0.227 25508 3707 1 8 . 1 1 67 67 MET C C 67 178.402 178.402 177.306 1.096 25508 3708 1 8 . 1 1 67 67 MET CA C 67 59.693 59.693 58.640 1.053 25508 3709 1 8 . 1 1 67 67 MET CB C 67 32.202 32.202 32.047 0.155 25508 3710 1 8 . 1 1 67 67 MET H H 67 8.480 8.480 7.832 0.648 25508 3711 1 8 . 1 1 68 68 LYS N N 68 120.460 120.460 117.322 3.138 25508 3712 1 8 . 1 1 68 68 LYS HA H 68 4.160 4.160 4.150 0.010 25508 3713 1 8 . 1 1 68 68 LYS C C 68 179.963 179.963 179.185 0.778 25508 3714 1 8 . 1 1 68 68 LYS CA C 68 58.857 58.857 58.379 0.478 25508 3715 1 8 . 1 1 68 68 LYS CB C 68 31.276 31.276 31.637 -0.360 25508 3716 1 8 . 1 1 68 68 LYS H H 68 8.024 8.024 7.706 0.318 25508 3717 1 8 . 1 1 69 69 GLN N N 69 117.834 117.834 118.273 -0.439 25508 3718 1 8 . 1 1 69 69 GLN HA H 69 3.858 3.858 4.286 -0.428 25508 3719 1 8 . 1 1 69 69 GLN C C 69 178.013 178.013 177.503 0.510 25508 3720 1 8 . 1 1 69 69 GLN CA C 69 58.097 58.097 57.850 0.247 25508 3721 1 8 . 1 1 69 69 GLN CB C 69 27.601 27.601 28.843 -1.242 25508 3722 1 8 . 1 1 69 69 GLN H H 69 8.281 8.281 8.097 0.184 25508 3723 1 8 . 1 1 70 70 THR N N 70 119.066 119.066 115.415 3.651 25508 3724 1 8 . 1 1 70 70 THR HA H 70 2.666 2.666 4.240 -1.574 25508 3725 1 8 . 1 1 70 70 THR C C 70 175.189 175.189 175.612 -0.423 25508 3726 1 8 . 1 1 70 70 THR CA C 70 66.732 66.732 65.497 1.235 25508 3727 1 8 . 1 1 70 70 THR CB C 70 68.451 68.451 69.034 -0.583 25508 3728 1 8 . 1 1 70 70 THR H H 70 8.245 8.245 7.823 0.422 25508 3729 1 8 . 1 1 71 71 GLU N N 71 121.112 121.112 122.270 -1.158 25508 3730 1 8 . 1 1 71 71 GLU HA H 71 3.873 3.873 4.185 -0.312 25508 3731 1 8 . 1 1 71 71 GLU C C 71 177.903 177.903 177.990 -0.087 25508 3732 1 8 . 1 1 71 71 GLU CA C 71 60.325 60.325 59.305 1.020 25508 3733 1 8 . 1 1 71 71 GLU CB C 71 30.065 30.065 29.730 0.335 25508 3734 1 8 . 1 1 71 71 GLU H H 71 7.872 7.872 8.461 -0.589 25508 3735 1 8 . 1 1 72 72 LYS N N 72 118.112 118.112 118.766 -0.654 25508 3736 1 8 . 1 1 72 72 LYS HA H 72 3.853 3.853 4.071 -0.218 25508 3737 1 8 . 1 1 72 72 LYS C C 72 178.447 178.447 178.414 0.033 25508 3738 1 8 . 1 1 72 72 LYS CA C 72 59.199 59.199 58.276 0.923 25508 3739 1 8 . 1 1 72 72 LYS CB C 72 32.705 32.705 31.751 0.954 25508 3740 1 8 . 1 1 72 72 LYS H H 72 7.932 7.932 7.594 0.338 25508 3741 1 8 . 1 1 73 73 TYR N N 73 119.703 119.703 119.654 0.049 25508 3742 1 8 . 1 1 73 73 TYR HA H 73 3.704 3.704 4.167 -0.463 25508 3743 1 8 . 1 1 73 73 TYR C C 73 176.953 176.953 176.485 0.468 25508 3744 1 8 . 1 1 73 73 TYR CA C 73 61.540 61.540 60.993 0.547 25508 3745 1 8 . 1 1 73 73 TYR CB C 73 38.266 38.266 38.361 -0.095 25508 3746 1 8 . 1 1 73 73 TYR H H 73 7.800 7.800 7.747 0.053 25508 3747 1 8 . 1 1 74 74 PHE N N 74 111.749 111.749 117.925 -6.176 25508 3748 1 8 . 1 1 74 74 PHE HA H 74 3.886 3.886 4.014 -0.128 25508 3749 1 8 . 1 1 74 74 PHE C C 74 176.300 176.300 176.394 -0.094 25508 3750 1 8 . 1 1 74 74 PHE CA C 74 61.784 61.784 58.278 3.506 25508 3751 1 8 . 1 1 74 74 PHE CB C 74 39.690 39.690 39.694 -0.004 25508 3752 1 8 . 1 1 74 74 PHE H H 74 7.139 7.139 7.356 -0.217 25508 3753 1 8 . 1 1 75 75 PHE N N 75 114.845 114.845 116.860 -2.015 25508 3754 1 8 . 1 1 75 75 PHE HA H 75 5.009 5.009 4.002 1.007 25508 3755 1 8 . 1 1 75 75 PHE C C 75 176.448 176.448 176.590 -0.142 25508 3756 1 8 . 1 1 75 75 PHE CA C 75 56.575 56.575 57.871 -1.296 25508 3757 1 8 . 1 1 75 75 PHE CB C 75 40.353 40.353 38.113 2.240 25508 3758 1 8 . 1 1 75 75 PHE H H 75 8.275 8.275 7.172 1.103 25508 3759 1 8 . 1 1 76 76 GLY N N 76 109.977 109.977 108.438 1.539 25508 3760 1 8 . 1 1 76 76 GLY C C 76 173.602 173.602 174.663 -1.061 25508 3761 1 8 . 1 1 76 76 GLY CA C 76 45.375 45.375 45.490 -0.115 25508 3762 1 8 . 1 1 76 76 GLY H H 76 7.836 7.836 7.665 0.171 25508 3763 1 8 . 1 1 77 77 GLU N N 77 120.068 120.068 121.996 -1.928 25508 3764 1 8 . 1 1 77 77 GLU HA H 77 4.259 4.259 3.908 0.351 25508 3765 1 8 . 1 1 77 77 GLU C C 77 176.925 176.925 178.245 -1.320 25508 3766 1 8 . 1 1 77 77 GLU CA C 77 56.647 56.647 57.581 -0.934 25508 3767 1 8 . 1 1 77 77 GLU CB C 77 30.694 30.694 29.595 1.099 25508 3768 1 8 . 1 1 77 77 GLU H H 77 8.445 8.445 8.459 -0.014 25508 3769 1 8 . 1 1 78 78 GLY N N 78 110.135 110.135 108.825 1.310 25508 3770 1 8 . 1 1 78 78 GLY C C 78 174.241 174.241 174.461 -0.220 25508 3771 1 8 . 1 1 78 78 GLY CA C 78 45.368 45.368 45.561 -0.193 25508 3772 1 8 . 1 1 78 78 GLY H H 78 8.457 8.457 7.703 0.754 25508 3773 1 8 . 1 1 79 79 ALA N N 79 123.773 123.773 122.075 1.698 25508 3774 1 8 . 1 1 79 79 ALA HA H 79 4.208 4.208 4.442 -0.234 25508 3775 1 8 . 1 1 79 79 ALA C C 79 177.657 177.657 176.217 1.440 25508 3776 1 8 . 1 1 79 79 ALA CA C 79 52.782 52.782 51.861 0.921 25508 3777 1 8 . 1 1 79 79 ALA CB C 79 19.145 19.145 19.583 -0.438 25508 3778 1 8 . 1 1 79 79 ALA H H 79 8.195 8.195 7.418 0.777 25508 3779 1 8 . 1 1 80 80 ASP N N 80 118.833 118.833 118.768 0.065 25508 3780 1 8 . 1 1 80 80 ASP HA H 80 4.473 4.473 4.867 -0.394 25508 3781 1 8 . 1 1 80 80 ASP C C 80 176.374 176.374 175.293 1.081 25508 3782 1 8 . 1 1 80 80 ASP CA C 80 54.383 54.383 53.828 0.555 25508 3783 1 8 . 1 1 80 80 ASP CB C 80 40.940 40.940 42.794 -1.854 25508 3784 1 8 . 1 1 80 80 ASP H H 80 8.347 8.347 8.012 0.335 25508 3785 1 8 . 1 1 81 81 GLN N N 81 120.376 120.376 121.081 -0.705 25508 3786 1 8 . 1 1 81 81 GLN HA H 81 4.225 4.225 4.440 -0.215 25508 3787 1 8 . 1 1 81 81 GLN C C 81 176.029 176.029 174.195 1.834 25508 3788 1 8 . 1 1 81 81 GLN CA C 81 55.969 55.969 54.714 1.255 25508 3789 1 8 . 1 1 81 81 GLN CB C 81 29.242 29.242 29.800 -0.558 25508 3790 1 8 . 1 1 81 81 GLN H H 81 8.188 8.188 8.270 -0.082 25508 3791 1 8 . 1 1 82 82 ALA N N 82 124.734 124.734 120.705 4.029 25508 3792 1 8 . 1 1 82 82 ALA HA H 82 4.271 4.271 4.576 -0.305 25508 3793 1 8 . 1 1 82 82 ALA C C 82 178.011 178.011 177.069 0.942 25508 3794 1 8 . 1 1 82 82 ALA CA C 82 52.680 52.680 52.237 0.443 25508 3795 1 8 . 1 1 82 82 ALA CB C 82 19.023 19.023 20.458 -1.435 25508 3796 1 8 . 1 1 82 82 ALA H H 82 8.307 8.307 8.197 0.110 25508 3797 1 8 . 1 1 83 83 SER N N 83 114.999 114.999 118.881 -3.882 25508 3798 1 8 . 1 1 83 83 SER HA H 83 4.368 4.368 4.515 -0.147 25508 3799 1 8 . 1 1 83 83 SER C C 83 175.141 175.141 174.031 1.110 25508 3800 1 8 . 1 1 83 83 SER CA C 83 58.843 58.843 57.278 1.565 25508 3801 1 8 . 1 1 83 83 SER CB C 83 63.849 63.849 61.743 2.106 25508 3802 1 8 . 1 1 83 83 SER H H 83 8.269 8.269 8.692 -0.423 25508 3803 1 8 . 1 1 84 84 GLY N N 84 110.722 110.722 108.425 2.297 25508 3804 1 8 . 1 1 84 84 GLY C C 84 173.457 173.457 172.347 1.110 25508 3805 1 8 . 1 1 84 84 GLY CA C 84 45.168 45.168 45.767 -0.599 25508 3806 1 8 . 1 1 84 84 GLY H H 84 8.324 8.324 7.198 1.126 25508 3807 1 8 . 1 1 85 85 TYR N N 85 121.054 121.054 118.529 2.525 25508 3808 1 8 . 1 1 85 85 TYR HA H 85 4.395 4.395 4.883 -0.488 25508 3809 1 8 . 1 1 85 85 TYR C C 85 174.866 174.866 175.016 -0.150 25508 3810 1 8 . 1 1 85 85 TYR CA C 85 58.433 58.433 56.688 1.745 25508 3811 1 8 . 1 1 85 85 TYR CB C 85 38.856 38.856 41.698 -2.842 25508 3812 1 8 . 1 1 85 85 TYR H H 85 7.982 7.982 8.256 -0.274 25508 3813 1 8 . 1 1 86 86 VAL N N 86 127.973 127.973 118.104 9.869 25508 3814 1 8 . 1 1 86 86 VAL CA C 86 58.815 58.815 59.347 -0.532 25508 3815 1 8 . 1 1 86 86 VAL CB C 86 33.360 33.360 32.410 0.950 25508 3816 1 8 . 1 1 86 86 VAL H H 86 7.734 7.734 8.232 -0.498 25508 3817 1 8 . 1 1 88 88 PRO HA H 88 4.320 4.320 4.349 -0.029 25508 3818 1 8 . 1 1 88 88 PRO C C 88 176.654 176.654 176.923 -0.269 25508 3819 1 8 . 1 1 88 88 PRO CA C 88 62.735 62.735 63.609 -0.874 25508 3820 1 8 . 1 1 88 88 PRO CB C 88 32.007 32.007 31.561 0.446 25508 3821 1 8 . 1 1 89 89 ALA N N 89 124.497 124.497 124.530 -0.033 25508 3822 1 8 . 1 1 89 89 ALA HA H 89 4.213 4.213 4.222 -0.009 25508 3823 1 8 . 1 1 89 89 ALA C C 89 177.739 177.739 177.247 0.492 25508 3824 1 8 . 1 1 89 89 ALA CA C 89 52.564 52.564 52.987 -0.423 25508 3825 1 8 . 1 1 89 89 ALA CB C 89 19.103 19.103 19.628 -0.525 25508 3826 1 8 . 1 1 89 89 ALA H H 89 8.332 8.332 7.886 0.446 25508 3827 1 8 . 1 1 90 90 GLN N N 90 119.712 119.712 122.627 -2.915 25508 3828 1 8 . 1 1 90 90 GLN HA H 90 4.301 4.301 4.408 -0.107 25508 3829 1 8 . 1 1 90 90 GLN C C 90 175.302 175.302 176.044 -0.742 25508 3830 1 8 . 1 1 90 90 GLN CA C 90 55.717 55.717 54.554 1.163 25508 3831 1 8 . 1 1 90 90 GLN CB C 90 29.764 29.764 30.366 -0.602 25508 3832 1 8 . 1 1 90 90 GLN H H 90 8.338 8.338 8.080 0.258 25508 3833 1 9 . 1 1 2 2 ALA N N 2 125.581 125.581 127.374 -1.793 25508 3834 1 9 . 1 1 2 2 ALA HA H 2 4.204 4.204 4.459 -0.255 25508 3835 1 9 . 1 1 2 2 ALA C C 2 176.764 176.764 176.916 -0.152 25508 3836 1 9 . 1 1 2 2 ALA CA C 2 52.280 52.280 52.791 -0.511 25508 3837 1 9 . 1 1 2 2 ALA CB C 2 19.494 19.494 20.787 -1.293 25508 3838 1 9 . 1 1 2 2 ALA H H 2 8.203 8.203 8.649 -0.446 25508 3839 1 9 . 1 1 3 3 ARG N N 3 123.058 123.058 116.828 6.230 25508 3840 1 9 . 1 1 3 3 ARG HA H 3 4.247 4.247 4.606 -0.359 25508 3841 1 9 . 1 1 3 3 ARG C C 3 174.914 174.914 174.214 0.700 25508 3842 1 9 . 1 1 3 3 ARG CA C 3 55.678 55.678 55.165 0.513 25508 3843 1 9 . 1 1 3 3 ARG CB C 3 31.276 31.276 33.651 -2.375 25508 3844 1 9 . 1 1 3 3 ARG H H 3 8.649 8.649 8.220 0.429 25508 3845 1 9 . 1 1 4 4 MET N N 4 125.010 125.010 118.381 6.629 25508 3846 1 9 . 1 1 4 4 MET HA H 4 4.966 4.966 4.861 0.105 25508 3847 1 9 . 1 1 4 4 MET C C 4 176.144 176.144 174.920 1.224 25508 3848 1 9 . 1 1 4 4 MET CA C 4 53.311 53.311 54.703 -1.391 25508 3849 1 9 . 1 1 4 4 MET CB C 4 32.120 32.120 33.241 -1.121 25508 3850 1 9 . 1 1 4 4 MET H H 4 8.427 8.427 8.433 -0.006 25508 3851 1 9 . 1 1 5 5 ILE N N 5 117.850 117.850 117.928 -0.078 25508 3852 1 9 . 1 1 5 5 ILE HA H 5 4.623 4.623 4.588 0.035 25508 3853 1 9 . 1 1 5 5 ILE C C 5 174.207 174.207 173.671 0.536 25508 3854 1 9 . 1 1 5 5 ILE CA C 5 58.353 58.353 59.031 -0.677 25508 3855 1 9 . 1 1 5 5 ILE CB C 5 42.910 42.910 41.974 0.936 25508 3856 1 9 . 1 1 5 5 ILE H H 5 8.860 8.860 8.610 0.250 25508 3857 1 9 . 1 1 6 6 HIS N N 6 120.378 120.378 118.917 1.461 25508 3858 1 9 . 1 1 6 6 HIS HA H 6 4.301 4.301 5.067 -0.766 25508 3859 1 9 . 1 1 6 6 HIS C C 6 173.087 173.087 175.031 -1.944 25508 3860 1 9 . 1 1 6 6 HIS CA C 6 56.131 56.131 54.010 2.121 25508 3861 1 9 . 1 1 6 6 HIS CB C 6 28.508 28.508 28.396 0.112 25508 3862 1 9 . 1 1 6 6 HIS H H 6 8.506 8.506 8.174 0.332 25508 3863 1 9 . 1 1 7 7 CYS N N 7 131.021 131.021 121.564 9.457 25508 3864 1 9 . 1 1 7 7 CYS HA H 7 4.154 4.154 4.110 0.044 25508 3865 1 9 . 1 1 7 7 CYS C C 7 177.621 177.621 175.936 1.685 25508 3866 1 9 . 1 1 7 7 CYS CA C 7 61.346 61.346 58.771 2.575 25508 3867 1 9 . 1 1 7 7 CYS CB C 7 31.004 31.004 27.013 3.991 25508 3868 1 9 . 1 1 7 7 CYS H H 7 7.873 7.873 8.608 -0.735 25508 3869 1 9 . 1 1 8 8 ALA N N 8 133.325 133.325 128.689 4.636 25508 3870 1 9 . 1 1 8 8 ALA HA H 8 4.229 4.229 3.991 0.238 25508 3871 1 9 . 1 1 8 8 ALA C C 8 178.608 178.608 177.856 0.752 25508 3872 1 9 . 1 1 8 8 ALA CA C 8 54.478 54.478 53.860 0.618 25508 3873 1 9 . 1 1 8 8 ALA CB C 8 19.264 19.264 18.104 1.160 25508 3874 1 9 . 1 1 8 8 ALA H H 8 9.543 9.543 7.739 1.804 25508 3875 1 9 . 1 1 9 9 LYS N N 9 122.128 122.128 115.819 6.309 25508 3876 1 9 . 1 1 9 9 LYS CA C 9 56.353 56.353 57.781 -1.428 25508 3877 1 9 . 1 1 9 9 LYS CB C 9 33.619 33.619 32.140 1.479 25508 3878 1 9 . 1 1 9 9 LYS H H 9 9.739 9.739 8.376 1.363 25508 3879 1 9 . 1 1 10 10 LEU HA H 10 4.194 4.194 4.605 -0.411 25508 3880 1 9 . 1 1 10 10 LEU C C 10 178.870 178.870 177.586 1.284 25508 3881 1 9 . 1 1 10 10 LEU CA C 10 55.934 55.934 54.925 1.009 25508 3882 1 9 . 1 1 10 10 LEU CB C 10 42.693 42.693 44.197 -1.504 25508 3883 1 9 . 1 1 11 11 GLY N N 11 107.385 107.385 107.333 0.052 25508 3884 1 9 . 1 1 11 11 GLY C C 11 173.268 173.268 173.775 -0.507 25508 3885 1 9 . 1 1 11 11 GLY CA C 11 46.756 46.756 44.941 1.815 25508 3886 1 9 . 1 1 11 11 GLY H H 11 8.258 8.258 8.585 -0.327 25508 3887 1 9 . 1 1 12 12 LYS N N 12 112.456 112.456 119.056 -6.600 25508 3888 1 9 . 1 1 12 12 LYS HA H 12 4.547 4.547 4.616 -0.069 25508 3889 1 9 . 1 1 12 12 LYS C C 12 173.822 173.822 174.147 -0.325 25508 3890 1 9 . 1 1 12 12 LYS CA C 12 53.523 53.523 54.335 -0.812 25508 3891 1 9 . 1 1 12 12 LYS CB C 12 35.156 35.156 34.574 0.582 25508 3892 1 9 . 1 1 12 12 LYS H H 12 6.772 6.772 7.560 -0.788 25508 3893 1 9 . 1 1 13 13 GLU N N 13 121.058 121.058 119.680 1.378 25508 3894 1 9 . 1 1 13 13 GLU HA H 13 4.874 4.874 4.630 0.244 25508 3895 1 9 . 1 1 13 13 GLU C C 13 176.290 176.290 175.491 0.799 25508 3896 1 9 . 1 1 13 13 GLU CA C 13 56.291 56.291 55.862 0.429 25508 3897 1 9 . 1 1 13 13 GLU CB C 13 29.827 29.827 30.615 -0.788 25508 3898 1 9 . 1 1 13 13 GLU H H 13 8.402 8.402 8.580 -0.178 25508 3899 1 9 . 1 1 14 14 ALA N N 14 127.978 127.978 128.495 -0.517 25508 3900 1 9 . 1 1 14 14 ALA HA H 14 4.514 4.514 4.690 -0.176 25508 3901 1 9 . 1 1 14 14 ALA C C 14 175.156 175.156 175.576 -0.420 25508 3902 1 9 . 1 1 14 14 ALA CA C 14 51.437 51.437 50.451 0.986 25508 3903 1 9 . 1 1 14 14 ALA CB C 14 23.586 23.586 22.106 1.480 25508 3904 1 9 . 1 1 14 14 ALA H H 14 9.330 9.330 8.645 0.685 25508 3905 1 9 . 1 1 15 15 GLU N N 15 120.272 120.272 118.447 1.825 25508 3906 1 9 . 1 1 15 15 GLU HA H 15 4.573 4.573 4.601 -0.028 25508 3907 1 9 . 1 1 15 15 GLU C C 15 178.292 178.292 176.928 1.364 25508 3908 1 9 . 1 1 15 15 GLU CA C 15 57.645 57.645 55.625 2.020 25508 3909 1 9 . 1 1 15 15 GLU CB C 15 30.016 30.016 30.981 -0.965 25508 3910 1 9 . 1 1 15 15 GLU H H 15 8.560 8.560 8.501 0.059 25508 3911 1 9 . 1 1 16 16 GLY N N 16 113.246 113.246 108.616 4.630 25508 3912 1 9 . 1 1 16 16 GLY C C 16 172.877 172.877 174.272 -1.395 25508 3913 1 9 . 1 1 16 16 GLY CA C 16 44.636 44.636 44.019 0.617 25508 3914 1 9 . 1 1 16 16 GLY H H 16 9.236 9.236 8.328 0.908 25508 3915 1 9 . 1 1 17 17 LEU N N 17 120.058 120.058 121.112 -1.054 25508 3916 1 9 . 1 1 17 17 LEU HA H 17 3.960 3.960 4.071 -0.111 25508 3917 1 9 . 1 1 17 17 LEU C C 17 177.457 177.457 177.542 -0.085 25508 3918 1 9 . 1 1 17 17 LEU CA C 17 55.375 55.375 56.339 -0.964 25508 3919 1 9 . 1 1 17 17 LEU CB C 17 43.355 43.355 42.252 1.103 25508 3920 1 9 . 1 1 17 17 LEU H H 17 9.482 9.482 7.992 1.490 25508 3921 1 9 . 1 1 18 18 ASP N N 18 118.600 118.600 117.207 1.393 25508 3922 1 9 . 1 1 18 18 ASP HA H 18 4.531 4.531 4.390 0.141 25508 3923 1 9 . 1 1 18 18 ASP C C 18 175.929 175.929 174.540 1.389 25508 3924 1 9 . 1 1 18 18 ASP CA C 18 56.544 56.544 55.475 1.069 25508 3925 1 9 . 1 1 18 18 ASP CB C 18 41.655 41.655 39.495 2.160 25508 3926 1 9 . 1 1 18 18 ASP H H 18 8.848 8.848 8.288 0.560 25508 3927 1 9 . 1 1 19 19 PHE N N 19 113.195 113.195 116.631 -3.436 25508 3928 1 9 . 1 1 19 19 PHE CA C 19 55.070 55.070 54.740 0.330 25508 3929 1 9 . 1 1 19 19 PHE CB C 19 38.588 38.588 41.194 -2.606 25508 3930 1 9 . 1 1 19 19 PHE H H 19 7.108 7.108 7.521 -0.413 25508 3931 1 9 . 1 1 21 21 PRO HA H 21 4.357 4.357 4.661 -0.304 25508 3932 1 9 . 1 1 21 21 PRO C C 21 174.627 174.627 175.958 -1.331 25508 3933 1 9 . 1 1 21 21 PRO CA C 21 63.914 63.914 63.912 0.002 25508 3934 1 9 . 1 1 21 21 PRO CB C 21 31.431 31.431 32.824 -1.393 25508 3935 1 9 . 1 1 22 22 LEU N N 22 117.643 117.643 117.073 0.570 25508 3936 1 9 . 1 1 22 22 LEU CA C 22 51.462 51.462 53.016 -1.554 25508 3937 1 9 . 1 1 22 22 LEU CB C 22 46.011 46.011 44.961 1.050 25508 3938 1 9 . 1 1 22 22 LEU H H 22 6.788 6.788 7.405 -0.617 25508 3939 1 9 . 1 1 24 24 GLY N N 24 105.443 105.443 112.388 -6.945 25508 3940 1 9 . 1 1 24 24 GLY C C 24 175.297 175.297 174.122 1.175 25508 3941 1 9 . 1 1 24 24 GLY CA C 24 45.381 45.381 45.556 -0.175 25508 3942 1 9 . 1 1 24 24 GLY H H 24 8.367 8.367 7.783 0.584 25508 3943 1 9 . 1 1 25 25 GLU N N 25 122.031 122.031 118.663 3.368 25508 3944 1 9 . 1 1 25 25 GLU HA H 25 3.887 3.887 4.367 -0.480 25508 3945 1 9 . 1 1 25 25 GLU C C 25 179.015 179.015 177.243 1.772 25508 3946 1 9 . 1 1 25 25 GLU CA C 25 59.283 59.283 58.172 1.111 25508 3947 1 9 . 1 1 25 25 GLU CB C 25 29.176 29.176 29.751 -0.575 25508 3948 1 9 . 1 1 25 25 GLU H H 25 8.737 8.737 8.815 -0.078 25508 3949 1 9 . 1 1 26 26 LEU N N 26 120.531 120.531 120.791 -0.260 25508 3950 1 9 . 1 1 26 26 LEU HA H 26 4.104 4.104 4.303 -0.199 25508 3951 1 9 . 1 1 26 26 LEU C C 26 178.836 178.836 178.404 0.432 25508 3952 1 9 . 1 1 26 26 LEU CA C 26 57.981 57.981 56.820 1.161 25508 3953 1 9 . 1 1 26 26 LEU CB C 26 40.939 40.939 41.742 -0.803 25508 3954 1 9 . 1 1 26 26 LEU H H 26 8.852 8.852 7.762 1.090 25508 3955 1 9 . 1 1 27 27 GLY N N 27 102.599 102.599 106.586 -3.987 25508 3956 1 9 . 1 1 27 27 GLY C C 27 175.874 175.874 175.831 0.043 25508 3957 1 9 . 1 1 27 27 GLY CA C 27 48.024 48.024 47.533 0.491 25508 3958 1 9 . 1 1 27 27 GLY H H 27 6.894 6.894 8.747 -1.853 25508 3959 1 9 . 1 1 28 28 LYS N N 28 122.738 122.738 119.551 3.187 25508 3960 1 9 . 1 1 28 28 LYS HA H 28 3.914 3.914 4.429 -0.515 25508 3961 1 9 . 1 1 28 28 LYS C C 28 177.965 177.965 178.347 -0.382 25508 3962 1 9 . 1 1 28 28 LYS CA C 28 59.844 59.844 58.898 0.946 25508 3963 1 9 . 1 1 28 28 LYS CB C 28 32.169 32.169 32.061 0.108 25508 3964 1 9 . 1 1 28 28 LYS H H 28 7.449 7.449 7.712 -0.263 25508 3965 1 9 . 1 1 29 29 ARG N N 29 119.988 119.988 117.247 2.741 25508 3966 1 9 . 1 1 29 29 ARG HA H 29 3.998 3.998 4.351 -0.353 25508 3967 1 9 . 1 1 29 29 ARG CA C 29 59.876 59.876 57.237 2.639 25508 3968 1 9 . 1 1 29 29 ARG CB C 29 30.829 30.829 29.953 0.876 25508 3969 1 9 . 1 1 29 29 ARG H H 29 8.194 8.194 7.540 0.654 25508 3970 1 9 . 1 1 30 30 LEU N N 30 119.547 119.547 121.499 -1.952 25508 3971 1 9 . 1 1 30 30 LEU HA H 30 3.849 3.849 4.654 -0.805 25508 3972 1 9 . 1 1 30 30 LEU C C 30 177.351 177.351 178.949 -1.598 25508 3973 1 9 . 1 1 30 30 LEU CA C 30 58.068 58.068 57.614 0.454 25508 3974 1 9 . 1 1 30 30 LEU CB C 30 41.547 41.547 43.136 -1.589 25508 3975 1 9 . 1 1 30 30 LEU H H 30 8.333 8.333 7.939 0.394 25508 3976 1 9 . 1 1 31 31 TYR N N 31 118.033 118.033 117.895 0.138 25508 3977 1 9 . 1 1 31 31 TYR HA H 31 3.895 3.895 4.107 -0.212 25508 3978 1 9 . 1 1 31 31 TYR C C 31 178.434 178.434 176.254 2.180 25508 3979 1 9 . 1 1 31 31 TYR CA C 31 61.391 61.391 60.877 0.514 25508 3980 1 9 . 1 1 31 31 TYR CB C 31 39.083 39.083 37.794 1.290 25508 3981 1 9 . 1 1 31 31 TYR H H 31 8.106 8.106 8.598 -0.492 25508 3982 1 9 . 1 1 32 32 GLU N N 32 117.126 117.126 115.877 1.249 25508 3983 1 9 . 1 1 32 32 GLU HA H 32 3.926 3.926 3.779 0.147 25508 3984 1 9 . 1 1 32 32 GLU C C 32 178.370 178.370 176.083 2.287 25508 3985 1 9 . 1 1 32 32 GLU CA C 32 58.603 58.603 56.091 2.512 25508 3986 1 9 . 1 1 32 32 GLU CB C 32 30.580 30.580 28.897 1.683 25508 3987 1 9 . 1 1 32 32 GLU H H 32 8.260 8.260 7.988 0.272 25508 3988 1 9 . 1 1 33 33 SER N N 33 108.887 108.887 114.108 -5.221 25508 3989 1 9 . 1 1 33 33 SER HA H 33 4.910 4.910 4.417 0.493 25508 3990 1 9 . 1 1 33 33 SER C C 33 171.776 171.776 174.534 -2.758 25508 3991 1 9 . 1 1 33 33 SER CA C 33 60.399 60.399 59.559 0.840 25508 3992 1 9 . 1 1 33 33 SER CB C 33 67.057 67.057 65.720 1.337 25508 3993 1 9 . 1 1 33 33 SER H H 33 7.553 7.553 7.822 -0.269 25508 3994 1 9 . 1 1 34 34 VAL N N 34 120.097 120.097 117.227 2.870 25508 3995 1 9 . 1 1 34 34 VAL CA C 34 61.287 61.287 60.855 0.432 25508 3996 1 9 . 1 1 34 34 VAL CB C 34 34.048 34.048 32.831 1.217 25508 3997 1 9 . 1 1 34 34 VAL H H 34 8.396 8.396 8.164 0.232 25508 3998 1 9 . 1 1 35 35 SER HA H 35 4.107 4.107 4.961 -0.854 25508 3999 1 9 . 1 1 35 35 SER C C 35 174.321 174.321 174.538 -0.217 25508 4000 1 9 . 1 1 35 35 SER CA C 35 58.771 58.771 56.094 2.677 25508 4001 1 9 . 1 1 35 35 SER CB C 35 66.899 66.899 66.636 0.263 25508 4002 1 9 . 1 1 36 36 LYS N N 36 119.115 119.115 121.820 -2.705 25508 4003 1 9 . 1 1 36 36 LYS HA H 36 4.016 4.016 3.922 0.094 25508 4004 1 9 . 1 1 36 36 LYS C C 36 179.407 179.407 177.648 1.759 25508 4005 1 9 . 1 1 36 36 LYS CA C 36 60.728 60.728 59.166 1.562 25508 4006 1 9 . 1 1 36 36 LYS CB C 36 32.746 32.746 32.481 0.265 25508 4007 1 9 . 1 1 36 36 LYS H H 36 8.562 8.562 8.263 0.299 25508 4008 1 9 . 1 1 37 37 GLN N N 37 118.142 118.142 118.636 -0.494 25508 4009 1 9 . 1 1 37 37 GLN HA H 37 3.970 3.970 4.217 -0.247 25508 4010 1 9 . 1 1 37 37 GLN C C 37 177.580 177.580 177.761 -0.181 25508 4011 1 9 . 1 1 37 37 GLN CA C 37 59.134 59.134 58.486 0.647 25508 4012 1 9 . 1 1 37 37 GLN CB C 37 28.534 28.534 28.137 0.398 25508 4013 1 9 . 1 1 37 37 GLN H H 37 8.958 8.958 8.309 0.649 25508 4014 1 9 . 1 1 38 38 ALA N N 38 121.173 121.173 121.626 -0.453 25508 4015 1 9 . 1 1 38 38 ALA HA H 38 4.409 4.409 4.110 0.299 25508 4016 1 9 . 1 1 38 38 ALA C C 38 181.081 181.081 178.447 2.634 25508 4017 1 9 . 1 1 38 38 ALA CA C 38 55.065 55.065 53.950 1.115 25508 4018 1 9 . 1 1 38 38 ALA CB C 38 19.574 19.574 17.904 1.670 25508 4019 1 9 . 1 1 38 38 ALA H H 38 8.233 8.233 8.237 -0.004 25508 4020 1 9 . 1 1 39 39 TRP N N 39 121.046 121.046 119.929 1.117 25508 4021 1 9 . 1 1 39 39 TRP HA H 39 4.898 4.898 3.760 1.138 25508 4022 1 9 . 1 1 39 39 TRP C C 39 176.886 176.886 177.516 -0.630 25508 4023 1 9 . 1 1 39 39 TRP CA C 39 60.403 60.403 59.826 0.577 25508 4024 1 9 . 1 1 39 39 TRP CB C 39 30.640 30.640 29.375 1.264 25508 4025 1 9 . 1 1 39 39 TRP H H 39 8.891 8.891 7.962 0.929 25508 4026 1 9 . 1 1 40 40 GLN N N 40 117.010 117.010 115.972 1.038 25508 4027 1 9 . 1 1 40 40 GLN HA H 40 3.715 3.715 3.861 -0.146 25508 4028 1 9 . 1 1 40 40 GLN C C 40 179.512 179.512 177.888 1.624 25508 4029 1 9 . 1 1 40 40 GLN CA C 40 59.159 59.159 58.889 0.270 25508 4030 1 9 . 1 1 40 40 GLN CB C 40 27.821 27.821 28.012 -0.191 25508 4031 1 9 . 1 1 40 40 GLN H H 40 8.541 8.541 7.640 0.901 25508 4032 1 9 . 1 1 41 41 ASP N N 41 120.036 120.036 120.869 -0.833 25508 4033 1 9 . 1 1 41 41 ASP HA H 41 4.396 4.396 4.399 -0.003 25508 4034 1 9 . 1 1 41 41 ASP C C 41 179.637 179.637 178.129 1.508 25508 4035 1 9 . 1 1 41 41 ASP CA C 41 57.571 57.571 57.339 0.232 25508 4036 1 9 . 1 1 41 41 ASP CB C 41 40.205 40.205 40.555 -0.350 25508 4037 1 9 . 1 1 41 41 ASP H H 41 8.119 8.119 7.593 0.526 25508 4038 1 9 . 1 1 42 42 TRP N N 42 123.295 123.295 119.743 3.552 25508 4039 1 9 . 1 1 42 42 TRP HA H 42 3.992 3.992 4.237 -0.245 25508 4040 1 9 . 1 1 42 42 TRP C C 42 176.559 176.559 178.383 -1.824 25508 4041 1 9 . 1 1 42 42 TRP CA C 42 58.825 58.825 61.142 -2.317 25508 4042 1 9 . 1 1 42 42 TRP CB C 42 30.101 30.101 28.777 1.323 25508 4043 1 9 . 1 1 42 42 TRP H H 42 8.015 8.015 7.617 0.398 25508 4044 1 9 . 1 1 43 43 LEU N N 43 118.444 118.444 118.398 0.046 25508 4045 1 9 . 1 1 43 43 LEU HA H 43 3.073 3.073 4.105 -1.032 25508 4046 1 9 . 1 1 43 43 LEU C C 43 180.127 180.127 179.361 0.766 25508 4047 1 9 . 1 1 43 43 LEU CA C 43 57.710 57.710 57.548 0.162 25508 4048 1 9 . 1 1 43 43 LEU CB C 43 40.675 40.675 41.126 -0.451 25508 4049 1 9 . 1 1 43 43 LEU H H 43 8.027 8.027 7.374 0.653 25508 4050 1 9 . 1 1 44 44 LYS N N 44 117.577 117.577 119.897 -2.320 25508 4051 1 9 . 1 1 44 44 LYS HA H 44 3.871 3.871 3.985 -0.114 25508 4052 1 9 . 1 1 44 44 LYS C C 44 179.010 179.010 178.576 0.434 25508 4053 1 9 . 1 1 44 44 LYS CA C 44 59.496 59.496 58.755 0.741 25508 4054 1 9 . 1 1 44 44 LYS CB C 44 32.301 32.301 32.018 0.283 25508 4055 1 9 . 1 1 44 44 LYS H H 44 7.065 7.065 7.366 -0.301 25508 4056 1 9 . 1 1 45 45 GLN N N 45 120.755 120.755 118.382 2.373 25508 4057 1 9 . 1 1 45 45 GLN HA H 45 3.834 3.834 3.991 -0.157 25508 4058 1 9 . 1 1 45 45 GLN C C 45 177.807 177.807 178.357 -0.550 25508 4059 1 9 . 1 1 45 45 GLN CA C 45 57.760 57.760 58.476 -0.716 25508 4060 1 9 . 1 1 45 45 GLN CB C 45 27.623 27.623 28.136 -0.513 25508 4061 1 9 . 1 1 45 45 GLN H H 45 7.033 7.033 7.646 -0.613 25508 4062 1 9 . 1 1 46 46 GLN N N 46 120.768 120.768 119.927 0.841 25508 4063 1 9 . 1 1 46 46 GLN HA H 46 3.065 3.065 3.844 -0.779 25508 4064 1 9 . 1 1 46 46 GLN C C 46 177.167 177.167 178.406 -1.239 25508 4065 1 9 . 1 1 46 46 GLN CA C 46 59.136 59.136 59.760 -0.624 25508 4066 1 9 . 1 1 46 46 GLN CB C 46 28.416 28.416 28.605 -0.189 25508 4067 1 9 . 1 1 46 46 GLN H H 46 8.346 8.346 8.669 -0.323 25508 4068 1 9 . 1 1 47 47 THR N N 47 114.925 114.925 115.105 -0.180 25508 4069 1 9 . 1 1 47 47 THR HA H 47 3.690 3.690 4.102 -0.412 25508 4070 1 9 . 1 1 47 47 THR C C 47 175.615 175.615 176.183 -0.568 25508 4071 1 9 . 1 1 47 47 THR CA C 47 66.804 66.804 66.434 0.370 25508 4072 1 9 . 1 1 47 47 THR CB C 47 68.895 68.895 68.477 0.418 25508 4073 1 9 . 1 1 47 47 THR H H 47 7.629 7.629 7.480 0.149 25508 4074 1 9 . 1 1 48 48 MET N N 48 120.050 120.050 120.614 -0.564 25508 4075 1 9 . 1 1 48 48 MET HA H 48 4.117 4.117 4.187 -0.070 25508 4076 1 9 . 1 1 48 48 MET C C 48 177.928 177.928 178.549 -0.621 25508 4077 1 9 . 1 1 48 48 MET CA C 48 59.041 59.041 59.525 -0.484 25508 4078 1 9 . 1 1 48 48 MET CB C 48 31.985 31.985 32.450 -0.465 25508 4079 1 9 . 1 1 48 48 MET H H 48 7.077 7.077 7.468 -0.391 25508 4080 1 9 . 1 1 49 49 LEU N N 49 120.156 120.156 119.577 0.579 25508 4081 1 9 . 1 1 49 49 LEU HA H 49 3.991 3.991 4.156 -0.165 25508 4082 1 9 . 1 1 49 49 LEU C C 49 180.284 180.284 178.988 1.296 25508 4083 1 9 . 1 1 49 49 LEU CA C 49 58.157 58.157 57.006 1.151 25508 4084 1 9 . 1 1 49 49 LEU CB C 49 42.723 42.723 41.677 1.046 25508 4085 1 9 . 1 1 49 49 LEU H H 49 7.982 7.982 7.978 0.004 25508 4086 1 9 . 1 1 50 50 ILE N N 50 119.987 119.987 120.311 -0.324 25508 4087 1 9 . 1 1 50 50 ILE HA H 50 3.487 3.487 3.482 0.005 25508 4088 1 9 . 1 1 50 50 ILE C C 50 178.074 178.074 177.679 0.395 25508 4089 1 9 . 1 1 50 50 ILE CA C 50 65.734 65.734 65.902 -0.168 25508 4090 1 9 . 1 1 50 50 ILE CB C 50 38.622 38.622 37.535 1.087 25508 4091 1 9 . 1 1 50 50 ILE H H 50 8.275 8.275 8.351 -0.076 25508 4092 1 9 . 1 1 51 51 ASN N N 51 117.331 117.331 116.275 1.056 25508 4093 1 9 . 1 1 51 51 ASN HA H 51 4.493 4.493 4.484 0.009 25508 4094 1 9 . 1 1 51 51 ASN C C 51 178.621 178.621 176.586 2.035 25508 4095 1 9 . 1 1 51 51 ASN CA C 51 55.787 55.787 56.226 -0.439 25508 4096 1 9 . 1 1 51 51 ASN CB C 51 38.273 38.273 38.771 -0.498 25508 4097 1 9 . 1 1 51 51 ASN H H 51 7.902 7.902 8.039 -0.137 25508 4098 1 9 . 1 1 52 52 GLU N N 52 120.128 120.128 119.943 0.185 25508 4099 1 9 . 1 1 52 52 GLU HA H 52 4.006 4.006 4.098 -0.092 25508 4100 1 9 . 1 1 52 52 GLU C C 52 177.628 177.628 178.365 -0.737 25508 4101 1 9 . 1 1 52 52 GLU CA C 52 59.034 59.034 58.972 0.062 25508 4102 1 9 . 1 1 52 52 GLU CB C 52 29.714 29.714 30.101 -0.387 25508 4103 1 9 . 1 1 52 52 GLU H H 52 8.958 8.958 7.646 1.312 25508 4104 1 9 . 1 1 53 53 ASN N N 53 112.872 112.872 115.998 -3.126 25508 4105 1 9 . 1 1 53 53 ASN HA H 53 4.666 4.666 4.481 0.184 25508 4106 1 9 . 1 1 53 53 ASN C C 53 173.022 173.022 175.573 -2.551 25508 4107 1 9 . 1 1 53 53 ASN CA C 53 53.416 53.416 54.164 -0.748 25508 4108 1 9 . 1 1 53 53 ASN CB C 53 38.938 38.938 38.693 0.245 25508 4109 1 9 . 1 1 53 53 ASN H H 53 7.535 7.535 8.165 -0.630 25508 4110 1 9 . 1 1 54 54 ARG N N 54 118.579 118.579 114.532 4.047 25508 4111 1 9 . 1 1 54 54 ARG HA H 54 3.975 3.975 4.044 -0.069 25508 4112 1 9 . 1 1 54 54 ARG C C 54 176.170 176.170 175.288 0.882 25508 4113 1 9 . 1 1 54 54 ARG CA C 54 56.615 56.615 56.593 0.023 25508 4114 1 9 . 1 1 54 54 ARG CB C 54 27.180 27.180 26.782 0.398 25508 4115 1 9 . 1 1 54 54 ARG H H 54 7.696 7.696 7.759 -0.063 25508 4116 1 9 . 1 1 55 55 LEU N N 55 116.705 116.705 117.912 -1.207 25508 4117 1 9 . 1 1 55 55 LEU HA H 55 4.097 4.097 4.291 -0.194 25508 4118 1 9 . 1 1 55 55 LEU C C 55 176.242 176.242 176.841 -0.599 25508 4119 1 9 . 1 1 55 55 LEU CA C 55 55.099 55.099 53.980 1.119 25508 4120 1 9 . 1 1 55 55 LEU CB C 55 42.694 42.694 42.648 0.046 25508 4121 1 9 . 1 1 55 55 LEU H H 55 7.927 7.927 7.540 0.387 25508 4122 1 9 . 1 1 56 56 ASN N N 56 120.616 120.616 118.764 1.852 25508 4123 1 9 . 1 1 56 56 ASN HA H 56 4.708 4.708 4.905 -0.197 25508 4124 1 9 . 1 1 56 56 ASN C C 56 176.058 176.058 176.171 -0.113 25508 4125 1 9 . 1 1 56 56 ASN CA C 56 51.440 51.440 52.376 -0.936 25508 4126 1 9 . 1 1 56 56 ASN CB C 56 38.554 38.554 39.109 -0.555 25508 4127 1 9 . 1 1 56 56 ASN H H 56 8.530 8.530 8.645 -0.115 25508 4128 1 9 . 1 1 57 57 MET N N 57 121.659 121.659 123.372 -1.713 25508 4129 1 9 . 1 1 57 57 MET HA H 57 4.341 4.341 4.047 0.294 25508 4130 1 9 . 1 1 57 57 MET C C 57 176.694 176.694 177.695 -1.001 25508 4131 1 9 . 1 1 57 57 MET CA C 57 55.717 55.717 58.996 -3.279 25508 4132 1 9 . 1 1 57 57 MET CB C 57 30.266 30.266 32.699 -2.433 25508 4133 1 9 . 1 1 57 57 MET H H 57 8.628 8.628 8.450 0.178 25508 4134 1 9 . 1 1 58 58 ALA N N 58 120.515 120.515 120.435 0.080 25508 4135 1 9 . 1 1 58 58 ALA HA H 58 4.267 4.267 4.079 0.188 25508 4136 1 9 . 1 1 58 58 ALA C C 58 177.625 177.625 177.915 -0.290 25508 4137 1 9 . 1 1 58 58 ALA CA C 58 52.643 52.643 53.553 -0.909 25508 4138 1 9 . 1 1 58 58 ALA CB C 58 18.667 18.667 18.564 0.103 25508 4139 1 9 . 1 1 58 58 ALA H H 58 7.988 7.988 8.234 -0.246 25508 4140 1 9 . 1 1 59 59 ASP N N 59 121.926 121.926 116.081 5.845 25508 4141 1 9 . 1 1 59 59 ASP CA C 59 50.871 50.871 51.278 -0.407 25508 4142 1 9 . 1 1 59 59 ASP CB C 59 42.450 42.450 40.770 1.680 25508 4143 1 9 . 1 1 59 59 ASP H H 59 8.024 8.024 7.774 0.250 25508 4144 1 9 . 1 1 60 60 PRO HA H 60 4.186 4.186 4.331 -0.145 25508 4145 1 9 . 1 1 60 60 PRO C C 60 179.232 179.232 177.827 1.405 25508 4146 1 9 . 1 1 60 60 PRO CA C 60 65.347 65.347 64.063 1.284 25508 4147 1 9 . 1 1 60 60 PRO CB C 60 32.399 32.399 32.297 0.101 25508 4148 1 9 . 1 1 61 61 ARG N N 61 117.390 117.390 118.782 -1.392 25508 4149 1 9 . 1 1 61 61 ARG HA H 61 4.107 4.107 4.073 0.034 25508 4150 1 9 . 1 1 61 61 ARG C C 61 179.817 179.817 178.296 1.521 25508 4151 1 9 . 1 1 61 61 ARG CA C 61 59.098 59.098 58.753 0.345 25508 4152 1 9 . 1 1 61 61 ARG CB C 61 29.670 29.670 28.734 0.936 25508 4153 1 9 . 1 1 61 61 ARG H H 61 8.597 8.597 8.520 0.077 25508 4154 1 9 . 1 1 62 62 ALA N N 62 124.172 124.172 120.406 3.766 25508 4155 1 9 . 1 1 62 62 ALA HA H 62 4.201 4.201 4.210 -0.009 25508 4156 1 9 . 1 1 62 62 ALA C C 62 179.726 179.726 179.643 0.083 25508 4157 1 9 . 1 1 62 62 ALA CA C 62 55.011 55.011 54.617 0.394 25508 4158 1 9 . 1 1 62 62 ALA CB C 62 19.251 19.251 18.567 0.684 25508 4159 1 9 . 1 1 62 62 ALA H H 62 7.597 7.597 7.654 -0.057 25508 4160 1 9 . 1 1 63 63 ARG N N 63 116.483 116.483 118.255 -1.772 25508 4161 1 9 . 1 1 63 63 ARG HA H 63 3.985 3.985 4.175 -0.190 25508 4162 1 9 . 1 1 63 63 ARG C C 63 179.234 179.234 178.916 0.318 25508 4163 1 9 . 1 1 63 63 ARG CA C 63 60.029 60.029 58.900 1.129 25508 4164 1 9 . 1 1 63 63 ARG CB C 63 29.806 29.806 30.078 -0.272 25508 4165 1 9 . 1 1 63 63 ARG H H 63 7.640 7.640 7.512 0.128 25508 4166 1 9 . 1 1 64 64 GLN N N 64 119.143 119.143 117.693 1.450 25508 4167 1 9 . 1 1 64 64 GLN HA H 64 4.095 4.095 4.119 -0.024 25508 4168 1 9 . 1 1 64 64 GLN C C 64 178.261 178.261 176.975 1.286 25508 4169 1 9 . 1 1 64 64 GLN CA C 64 59.183 59.183 58.383 0.799 25508 4170 1 9 . 1 1 64 64 GLN CB C 64 28.266 28.266 29.053 -0.787 25508 4171 1 9 . 1 1 64 64 GLN H H 64 8.114 8.114 8.194 -0.080 25508 4172 1 9 . 1 1 65 65 TYR N N 65 121.413 121.413 118.616 2.797 25508 4173 1 9 . 1 1 65 65 TYR HA H 65 4.321 4.321 4.444 -0.123 25508 4174 1 9 . 1 1 65 65 TYR C C 65 180.478 180.478 176.710 3.768 25508 4175 1 9 . 1 1 65 65 TYR CA C 65 61.407 61.407 60.115 1.292 25508 4176 1 9 . 1 1 65 65 TYR CB C 65 37.831 37.831 39.348 -1.517 25508 4177 1 9 . 1 1 65 65 TYR H H 65 7.929 7.929 7.513 0.416 25508 4178 1 9 . 1 1 66 66 LEU N N 66 119.499 119.499 121.038 -1.539 25508 4179 1 9 . 1 1 66 66 LEU HA H 66 3.870 3.870 3.804 0.066 25508 4180 1 9 . 1 1 66 66 LEU C C 66 180.847 180.847 178.060 2.787 25508 4181 1 9 . 1 1 66 66 LEU CA C 66 57.959 57.959 57.369 0.590 25508 4182 1 9 . 1 1 66 66 LEU CB C 66 41.522 41.522 41.730 -0.208 25508 4183 1 9 . 1 1 66 66 LEU H H 66 8.328 8.328 7.589 0.739 25508 4184 1 9 . 1 1 67 67 MET N N 67 122.316 122.316 116.527 5.789 25508 4185 1 9 . 1 1 67 67 MET HA H 67 4.100 4.100 4.074 0.026 25508 4186 1 9 . 1 1 67 67 MET C C 67 178.402 178.402 177.637 0.765 25508 4187 1 9 . 1 1 67 67 MET CA C 67 59.693 59.693 58.472 1.221 25508 4188 1 9 . 1 1 67 67 MET CB C 67 32.202 32.202 32.055 0.147 25508 4189 1 9 . 1 1 67 67 MET H H 67 8.480 8.480 7.544 0.936 25508 4190 1 9 . 1 1 68 68 LYS N N 68 120.460 120.460 116.753 3.707 25508 4191 1 9 . 1 1 68 68 LYS HA H 68 4.160 4.160 4.122 0.038 25508 4192 1 9 . 1 1 68 68 LYS C C 68 179.963 179.963 179.005 0.958 25508 4193 1 9 . 1 1 68 68 LYS CA C 68 58.857 58.857 58.188 0.669 25508 4194 1 9 . 1 1 68 68 LYS CB C 68 31.276 31.276 31.643 -0.367 25508 4195 1 9 . 1 1 68 68 LYS H H 68 8.024 8.024 7.564 0.460 25508 4196 1 9 . 1 1 69 69 GLN N N 69 117.834 117.834 118.172 -0.338 25508 4197 1 9 . 1 1 69 69 GLN HA H 69 3.858 3.858 4.118 -0.260 25508 4198 1 9 . 1 1 69 69 GLN C C 69 178.013 178.013 177.058 0.955 25508 4199 1 9 . 1 1 69 69 GLN CA C 69 58.097 58.097 57.414 0.683 25508 4200 1 9 . 1 1 69 69 GLN CB C 69 27.601 27.601 28.458 -0.857 25508 4201 1 9 . 1 1 69 69 GLN H H 69 8.281 8.281 7.763 0.518 25508 4202 1 9 . 1 1 70 70 THR N N 70 119.066 119.066 114.502 4.564 25508 4203 1 9 . 1 1 70 70 THR HA H 70 2.666 2.666 3.923 -1.257 25508 4204 1 9 . 1 1 70 70 THR C C 70 175.189 175.189 175.767 -0.578 25508 4205 1 9 . 1 1 70 70 THR CA C 70 66.732 66.732 65.413 1.319 25508 4206 1 9 . 1 1 70 70 THR CB C 70 68.451 68.451 68.732 -0.281 25508 4207 1 9 . 1 1 70 70 THR H H 70 8.245 8.245 7.333 0.912 25508 4208 1 9 . 1 1 71 71 GLU N N 71 121.112 121.112 121.995 -0.883 25508 4209 1 9 . 1 1 71 71 GLU HA H 71 3.873 3.873 4.107 -0.234 25508 4210 1 9 . 1 1 71 71 GLU C C 71 177.903 177.903 178.226 -0.323 25508 4211 1 9 . 1 1 71 71 GLU CA C 71 60.325 60.325 59.564 0.761 25508 4212 1 9 . 1 1 71 71 GLU CB C 71 30.065 30.065 29.822 0.243 25508 4213 1 9 . 1 1 71 71 GLU H H 71 7.872 7.872 7.863 0.009 25508 4214 1 9 . 1 1 72 72 LYS N N 72 118.112 118.112 117.856 0.256 25508 4215 1 9 . 1 1 72 72 LYS HA H 72 3.853 3.853 4.049 -0.196 25508 4216 1 9 . 1 1 72 72 LYS C C 72 178.447 178.447 179.250 -0.803 25508 4217 1 9 . 1 1 72 72 LYS CA C 72 59.199 59.199 58.256 0.943 25508 4218 1 9 . 1 1 72 72 LYS CB C 72 32.705 32.705 31.872 0.833 25508 4219 1 9 . 1 1 72 72 LYS H H 72 7.932 7.932 7.633 0.299 25508 4220 1 9 . 1 1 73 73 TYR N N 73 119.703 119.703 119.860 -0.157 25508 4221 1 9 . 1 1 73 73 TYR HA H 73 3.704 3.704 4.010 -0.306 25508 4222 1 9 . 1 1 73 73 TYR C C 73 176.953 176.953 176.615 0.338 25508 4223 1 9 . 1 1 73 73 TYR CA C 73 61.540 61.540 61.159 0.381 25508 4224 1 9 . 1 1 73 73 TYR CB C 73 38.266 38.266 38.409 -0.143 25508 4225 1 9 . 1 1 73 73 TYR H H 73 7.800 7.800 7.233 0.567 25508 4226 1 9 . 1 1 74 74 PHE N N 74 111.749 111.749 114.517 -2.768 25508 4227 1 9 . 1 1 74 74 PHE HA H 74 3.886 3.886 4.331 -0.445 25508 4228 1 9 . 1 1 74 74 PHE C C 74 176.300 176.300 176.913 -0.613 25508 4229 1 9 . 1 1 74 74 PHE CA C 74 61.784 61.784 59.895 1.889 25508 4230 1 9 . 1 1 74 74 PHE CB C 74 39.690 39.690 39.360 0.330 25508 4231 1 9 . 1 1 74 74 PHE H H 74 7.139 7.139 7.383 -0.244 25508 4232 1 9 . 1 1 75 75 PHE N N 75 114.845 114.845 116.577 -1.732 25508 4233 1 9 . 1 1 75 75 PHE HA H 75 5.009 5.009 4.756 0.253 25508 4234 1 9 . 1 1 75 75 PHE C C 75 176.448 176.448 176.652 -0.204 25508 4235 1 9 . 1 1 75 75 PHE CA C 75 56.575 56.575 56.330 0.245 25508 4236 1 9 . 1 1 75 75 PHE CB C 75 40.353 40.353 37.346 3.007 25508 4237 1 9 . 1 1 75 75 PHE H H 75 8.275 8.275 7.322 0.953 25508 4238 1 9 . 1 1 76 76 GLY N N 76 109.977 109.977 109.963 0.014 25508 4239 1 9 . 1 1 76 76 GLY C C 76 173.602 173.602 174.934 -1.332 25508 4240 1 9 . 1 1 76 76 GLY CA C 76 45.375 45.375 44.773 0.602 25508 4241 1 9 . 1 1 76 76 GLY H H 76 7.836 7.836 7.688 0.148 25508 4242 1 9 . 1 1 77 77 GLU N N 77 120.068 120.068 120.345 -0.277 25508 4243 1 9 . 1 1 77 77 GLU HA H 77 4.259 4.259 4.056 0.203 25508 4244 1 9 . 1 1 77 77 GLU C C 77 176.925 176.925 177.046 -0.121 25508 4245 1 9 . 1 1 77 77 GLU CA C 77 56.647 56.647 58.069 -1.422 25508 4246 1 9 . 1 1 77 77 GLU CB C 77 30.694 30.694 29.566 1.128 25508 4247 1 9 . 1 1 77 77 GLU H H 77 8.445 8.445 8.458 -0.013 25508 4248 1 9 . 1 1 78 78 GLY N N 78 110.135 110.135 106.080 4.055 25508 4249 1 9 . 1 1 78 78 GLY C C 78 174.241 174.241 173.159 1.082 25508 4250 1 9 . 1 1 78 78 GLY CA C 78 45.368 45.368 45.183 0.185 25508 4251 1 9 . 1 1 78 78 GLY H H 78 8.457 8.457 7.709 0.748 25508 4252 1 9 . 1 1 79 79 ALA N N 79 123.773 123.773 123.610 0.163 25508 4253 1 9 . 1 1 79 79 ALA HA H 79 4.208 4.208 4.026 0.182 25508 4254 1 9 . 1 1 79 79 ALA C C 79 177.657 177.657 177.013 0.644 25508 4255 1 9 . 1 1 79 79 ALA CA C 79 52.782 52.782 52.610 0.172 25508 4256 1 9 . 1 1 79 79 ALA CB C 79 19.145 19.145 18.278 0.867 25508 4257 1 9 . 1 1 79 79 ALA H H 79 8.195 8.195 8.337 -0.142 25508 4258 1 9 . 1 1 80 80 ASP N N 80 118.833 118.833 118.532 0.301 25508 4259 1 9 . 1 1 80 80 ASP HA H 80 4.473 4.473 4.704 -0.231 25508 4260 1 9 . 1 1 80 80 ASP C C 80 176.374 176.374 176.133 0.241 25508 4261 1 9 . 1 1 80 80 ASP CA C 80 54.383 54.383 53.983 0.399 25508 4262 1 9 . 1 1 80 80 ASP CB C 80 40.940 40.940 40.372 0.568 25508 4263 1 9 . 1 1 80 80 ASP H H 80 8.347 8.347 8.416 -0.069 25508 4264 1 9 . 1 1 81 81 GLN N N 81 120.376 120.376 121.105 -0.729 25508 4265 1 9 . 1 1 81 81 GLN HA H 81 4.225 4.225 4.521 -0.296 25508 4266 1 9 . 1 1 81 81 GLN C C 81 176.029 176.029 174.958 1.071 25508 4267 1 9 . 1 1 81 81 GLN CA C 81 55.969 55.969 55.052 0.917 25508 4268 1 9 . 1 1 81 81 GLN CB C 81 29.242 29.242 28.877 0.365 25508 4269 1 9 . 1 1 81 81 GLN H H 81 8.188 8.188 7.877 0.311 25508 4270 1 9 . 1 1 82 82 ALA N N 82 124.734 124.734 122.563 2.171 25508 4271 1 9 . 1 1 82 82 ALA HA H 82 4.271 4.271 4.609 -0.338 25508 4272 1 9 . 1 1 82 82 ALA C C 82 178.011 178.011 176.628 1.383 25508 4273 1 9 . 1 1 82 82 ALA CA C 82 52.680 52.680 51.742 0.938 25508 4274 1 9 . 1 1 82 82 ALA CB C 82 19.023 19.023 19.478 -0.455 25508 4275 1 9 . 1 1 82 82 ALA H H 82 8.307 8.307 7.809 0.498 25508 4276 1 9 . 1 1 83 83 SER N N 83 114.999 114.999 115.886 -0.887 25508 4277 1 9 . 1 1 83 83 SER HA H 83 4.368 4.368 4.544 -0.176 25508 4278 1 9 . 1 1 83 83 SER C C 83 175.141 175.141 174.157 0.984 25508 4279 1 9 . 1 1 83 83 SER CA C 83 58.843 58.843 57.963 0.880 25508 4280 1 9 . 1 1 83 83 SER CB C 83 63.849 63.849 63.814 0.035 25508 4281 1 9 . 1 1 83 83 SER H H 83 8.269 8.269 7.986 0.283 25508 4282 1 9 . 1 1 84 84 GLY N N 84 110.722 110.722 112.710 -1.988 25508 4283 1 9 . 1 1 84 84 GLY C C 84 173.457 173.457 172.432 1.025 25508 4284 1 9 . 1 1 84 84 GLY CA C 84 45.168 45.168 45.250 -0.082 25508 4285 1 9 . 1 1 84 84 GLY H H 84 8.324 8.324 8.197 0.127 25508 4286 1 9 . 1 1 85 85 TYR N N 85 121.054 121.054 119.330 1.724 25508 4287 1 9 . 1 1 85 85 TYR HA H 85 4.395 4.395 4.656 -0.261 25508 4288 1 9 . 1 1 85 85 TYR C C 85 174.866 174.866 175.209 -0.343 25508 4289 1 9 . 1 1 85 85 TYR CA C 85 58.433 58.433 57.715 0.718 25508 4290 1 9 . 1 1 85 85 TYR CB C 85 38.856 38.856 40.044 -1.188 25508 4291 1 9 . 1 1 85 85 TYR H H 85 7.982 7.982 8.108 -0.126 25508 4292 1 9 . 1 1 86 86 VAL N N 86 127.973 127.973 120.073 7.900 25508 4293 1 9 . 1 1 86 86 VAL CA C 86 58.815 58.815 61.729 -2.914 25508 4294 1 9 . 1 1 86 86 VAL CB C 86 33.360 33.360 30.312 3.048 25508 4295 1 9 . 1 1 86 86 VAL H H 86 7.734 7.734 8.609 -0.875 25508 4296 1 9 . 1 1 88 88 PRO HA H 88 4.320 4.320 4.472 -0.152 25508 4297 1 9 . 1 1 88 88 PRO C C 88 176.654 176.654 175.669 0.985 25508 4298 1 9 . 1 1 88 88 PRO CA C 88 62.735 62.735 62.582 0.153 25508 4299 1 9 . 1 1 88 88 PRO CB C 88 32.007 32.007 32.567 -0.560 25508 4300 1 9 . 1 1 89 89 ALA N N 89 124.497 124.497 121.358 3.139 25508 4301 1 9 . 1 1 89 89 ALA HA H 89 4.213 4.213 4.585 -0.372 25508 4302 1 9 . 1 1 89 89 ALA C C 89 177.739 177.739 177.354 0.385 25508 4303 1 9 . 1 1 89 89 ALA CA C 89 52.564 52.564 51.467 1.097 25508 4304 1 9 . 1 1 89 89 ALA CB C 89 19.103 19.103 20.426 -1.323 25508 4305 1 9 . 1 1 89 89 ALA H H 89 8.332 8.332 8.149 0.183 25508 4306 1 9 . 1 1 90 90 GLN N N 90 119.712 119.712 121.688 -1.976 25508 4307 1 9 . 1 1 90 90 GLN HA H 90 4.301 4.301 4.367 -0.065 25508 4308 1 9 . 1 1 90 90 GLN C C 90 175.302 175.302 176.446 -1.144 25508 4309 1 9 . 1 1 90 90 GLN CA C 90 55.717 55.717 55.971 -0.254 25508 4310 1 9 . 1 1 90 90 GLN CB C 90 29.764 29.764 28.251 1.513 25508 4311 1 9 . 1 1 90 90 GLN H H 90 8.338 8.338 8.596 -0.258 25508 4312 1 10 . 1 1 2 2 ALA N N 2 125.581 125.581 125.071 0.510 25508 4313 1 10 . 1 1 2 2 ALA HA H 2 4.204 4.204 4.495 -0.291 25508 4314 1 10 . 1 1 2 2 ALA C C 2 176.764 176.764 176.059 0.705 25508 4315 1 10 . 1 1 2 2 ALA CA C 2 52.280 52.280 52.260 0.020 25508 4316 1 10 . 1 1 2 2 ALA CB C 2 19.494 19.494 20.465 -0.971 25508 4317 1 10 . 1 1 2 2 ALA H H 2 8.203 8.203 8.759 -0.556 25508 4318 1 10 . 1 1 3 3 ARG N N 3 123.058 123.058 116.968 6.090 25508 4319 1 10 . 1 1 3 3 ARG HA H 3 4.247 4.247 4.480 -0.233 25508 4320 1 10 . 1 1 3 3 ARG C C 3 174.914 174.914 174.281 0.633 25508 4321 1 10 . 1 1 3 3 ARG CA C 3 55.678 55.678 55.453 0.225 25508 4322 1 10 . 1 1 3 3 ARG CB C 3 31.276 31.276 33.301 -2.025 25508 4323 1 10 . 1 1 3 3 ARG H H 3 8.649 8.649 8.069 0.580 25508 4324 1 10 . 1 1 4 4 MET N N 4 125.010 125.010 118.736 6.274 25508 4325 1 10 . 1 1 4 4 MET HA H 4 4.966 4.966 4.829 0.137 25508 4326 1 10 . 1 1 4 4 MET C C 4 176.144 176.144 175.071 1.073 25508 4327 1 10 . 1 1 4 4 MET CA C 4 53.311 53.311 54.840 -1.529 25508 4328 1 10 . 1 1 4 4 MET CB C 4 32.120 32.120 33.774 -1.654 25508 4329 1 10 . 1 1 4 4 MET H H 4 8.427 8.427 8.398 0.029 25508 4330 1 10 . 1 1 5 5 ILE N N 5 117.850 117.850 116.721 1.129 25508 4331 1 10 . 1 1 5 5 ILE HA H 5 4.623 4.623 4.655 -0.032 25508 4332 1 10 . 1 1 5 5 ILE C C 5 174.207 174.207 173.568 0.639 25508 4333 1 10 . 1 1 5 5 ILE CA C 5 58.353 58.353 59.075 -0.722 25508 4334 1 10 . 1 1 5 5 ILE CB C 5 42.910 42.910 41.654 1.256 25508 4335 1 10 . 1 1 5 5 ILE H H 5 8.860 8.860 8.621 0.239 25508 4336 1 10 . 1 1 6 6 HIS N N 6 120.378 120.378 118.275 2.103 25508 4337 1 10 . 1 1 6 6 HIS HA H 6 4.301 4.301 5.012 -0.711 25508 4338 1 10 . 1 1 6 6 HIS C C 6 173.087 173.087 174.980 -1.893 25508 4339 1 10 . 1 1 6 6 HIS CA C 6 56.131 56.131 53.753 2.378 25508 4340 1 10 . 1 1 6 6 HIS CB C 6 28.508 28.508 27.962 0.546 25508 4341 1 10 . 1 1 6 6 HIS H H 6 8.506 8.506 8.145 0.361 25508 4342 1 10 . 1 1 7 7 CYS N N 7 131.021 131.021 125.034 5.987 25508 4343 1 10 . 1 1 7 7 CYS HA H 7 4.154 4.154 4.036 0.118 25508 4344 1 10 . 1 1 7 7 CYS C C 7 177.621 177.621 175.958 1.663 25508 4345 1 10 . 1 1 7 7 CYS CA C 7 61.346 61.346 60.425 0.921 25508 4346 1 10 . 1 1 7 7 CYS CB C 7 31.004 31.004 28.687 2.317 25508 4347 1 10 . 1 1 7 7 CYS H H 7 7.873 7.873 8.259 -0.386 25508 4348 1 10 . 1 1 8 8 ALA N N 8 133.325 133.325 131.797 1.528 25508 4349 1 10 . 1 1 8 8 ALA HA H 8 4.229 4.229 4.145 0.084 25508 4350 1 10 . 1 1 8 8 ALA C C 8 178.608 178.608 177.635 0.973 25508 4351 1 10 . 1 1 8 8 ALA CA C 8 54.478 54.478 54.435 0.042 25508 4352 1 10 . 1 1 8 8 ALA CB C 8 19.264 19.264 18.447 0.817 25508 4353 1 10 . 1 1 8 8 ALA H H 8 9.543 9.543 8.510 1.033 25508 4354 1 10 . 1 1 9 9 LYS N N 9 122.128 122.128 117.348 4.780 25508 4355 1 10 . 1 1 9 9 LYS CA C 9 56.353 56.353 57.287 -0.934 25508 4356 1 10 . 1 1 9 9 LYS CB C 9 33.619 33.619 32.956 0.663 25508 4357 1 10 . 1 1 9 9 LYS H H 9 9.739 9.739 7.933 1.806 25508 4358 1 10 . 1 1 10 10 LEU HA H 10 4.194 4.194 4.178 0.016 25508 4359 1 10 . 1 1 10 10 LEU C C 10 178.870 178.870 178.339 0.531 25508 4360 1 10 . 1 1 10 10 LEU CA C 10 55.934 55.934 56.360 -0.426 25508 4361 1 10 . 1 1 10 10 LEU CB C 10 42.693 42.693 42.728 -0.035 25508 4362 1 10 . 1 1 11 11 GLY N N 11 107.385 107.385 103.377 4.008 25508 4363 1 10 . 1 1 11 11 GLY C C 11 173.268 173.268 173.786 -0.518 25508 4364 1 10 . 1 1 11 11 GLY CA C 11 46.756 46.756 44.852 1.904 25508 4365 1 10 . 1 1 11 11 GLY H H 11 8.258 8.258 8.060 0.198 25508 4366 1 10 . 1 1 12 12 LYS N N 12 112.456 112.456 117.851 -5.395 25508 4367 1 10 . 1 1 12 12 LYS HA H 12 4.547 4.547 4.723 -0.176 25508 4368 1 10 . 1 1 12 12 LYS C C 12 173.822 173.822 174.231 -0.409 25508 4369 1 10 . 1 1 12 12 LYS CA C 12 53.523 53.523 53.766 -0.243 25508 4370 1 10 . 1 1 12 12 LYS CB C 12 35.156 35.156 33.759 1.397 25508 4371 1 10 . 1 1 12 12 LYS H H 12 6.772 6.772 7.720 -0.948 25508 4372 1 10 . 1 1 13 13 GLU N N 13 121.058 121.058 120.093 0.965 25508 4373 1 10 . 1 1 13 13 GLU HA H 13 4.874 4.874 4.556 0.318 25508 4374 1 10 . 1 1 13 13 GLU C C 13 176.290 176.290 176.073 0.217 25508 4375 1 10 . 1 1 13 13 GLU CA C 13 56.291 56.291 56.557 -0.266 25508 4376 1 10 . 1 1 13 13 GLU CB C 13 29.827 29.827 29.849 -0.022 25508 4377 1 10 . 1 1 13 13 GLU H H 13 8.402 8.402 8.483 -0.081 25508 4378 1 10 . 1 1 14 14 ALA N N 14 127.978 127.978 128.804 -0.826 25508 4379 1 10 . 1 1 14 14 ALA HA H 14 4.514 4.514 4.656 -0.142 25508 4380 1 10 . 1 1 14 14 ALA C C 14 175.156 175.156 175.557 -0.401 25508 4381 1 10 . 1 1 14 14 ALA CA C 14 51.437 51.437 50.539 0.898 25508 4382 1 10 . 1 1 14 14 ALA CB C 14 23.586 23.586 22.323 1.262 25508 4383 1 10 . 1 1 14 14 ALA H H 14 9.330 9.330 9.079 0.251 25508 4384 1 10 . 1 1 15 15 GLU N N 15 120.272 120.272 120.119 0.153 25508 4385 1 10 . 1 1 15 15 GLU HA H 15 4.573 4.573 4.359 0.214 25508 4386 1 10 . 1 1 15 15 GLU C C 15 178.292 178.292 177.416 0.876 25508 4387 1 10 . 1 1 15 15 GLU CA C 15 57.645 57.645 56.533 1.112 25508 4388 1 10 . 1 1 15 15 GLU CB C 15 30.016 30.016 30.726 -0.710 25508 4389 1 10 . 1 1 15 15 GLU H H 15 8.560 8.560 8.518 0.042 25508 4390 1 10 . 1 1 16 16 GLY N N 16 113.246 113.246 110.332 2.914 25508 4391 1 10 . 1 1 16 16 GLY C C 16 172.877 172.877 174.206 -1.329 25508 4392 1 10 . 1 1 16 16 GLY CA C 16 44.636 44.636 43.901 0.735 25508 4393 1 10 . 1 1 16 16 GLY H H 16 9.236 9.236 8.302 0.934 25508 4394 1 10 . 1 1 17 17 LEU N N 17 120.058 120.058 123.511 -3.453 25508 4395 1 10 . 1 1 17 17 LEU HA H 17 3.960 3.960 3.929 0.031 25508 4396 1 10 . 1 1 17 17 LEU C C 17 177.457 177.457 177.567 -0.110 25508 4397 1 10 . 1 1 17 17 LEU CA C 17 55.375 55.375 57.493 -2.118 25508 4398 1 10 . 1 1 17 17 LEU CB C 17 43.355 43.355 41.810 1.544 25508 4399 1 10 . 1 1 17 17 LEU H H 17 9.482 9.482 8.123 1.359 25508 4400 1 10 . 1 1 18 18 ASP N N 18 118.600 118.600 116.991 1.609 25508 4401 1 10 . 1 1 18 18 ASP HA H 18 4.531 4.531 4.094 0.437 25508 4402 1 10 . 1 1 18 18 ASP C C 18 175.929 175.929 173.660 2.269 25508 4403 1 10 . 1 1 18 18 ASP CA C 18 56.544 56.544 55.130 1.414 25508 4404 1 10 . 1 1 18 18 ASP CB C 18 41.655 41.655 39.987 1.668 25508 4405 1 10 . 1 1 18 18 ASP H H 18 8.848 8.848 8.117 0.731 25508 4406 1 10 . 1 1 19 19 PHE N N 19 113.195 113.195 115.993 -2.798 25508 4407 1 10 . 1 1 19 19 PHE CA C 19 55.070 55.070 54.816 0.253 25508 4408 1 10 . 1 1 19 19 PHE CB C 19 38.588 38.588 41.761 -3.172 25508 4409 1 10 . 1 1 19 19 PHE H H 19 7.108 7.108 7.281 -0.173 25508 4410 1 10 . 1 1 21 21 PRO HA H 21 4.357 4.357 4.352 0.005 25508 4411 1 10 . 1 1 21 21 PRO C C 21 174.627 174.627 175.781 -1.154 25508 4412 1 10 . 1 1 21 21 PRO CA C 21 63.914 63.914 64.431 -0.517 25508 4413 1 10 . 1 1 21 21 PRO CB C 21 31.431 31.431 32.814 -1.383 25508 4414 1 10 . 1 1 22 22 LEU N N 22 117.643 117.643 117.053 0.590 25508 4415 1 10 . 1 1 22 22 LEU CA C 22 51.462 51.462 51.991 -0.529 25508 4416 1 10 . 1 1 22 22 LEU CB C 22 46.011 46.011 43.200 2.811 25508 4417 1 10 . 1 1 22 22 LEU H H 22 6.788 6.788 7.821 -1.033 25508 4418 1 10 . 1 1 24 24 GLY N N 24 105.443 105.443 107.458 -2.015 25508 4419 1 10 . 1 1 24 24 GLY C C 24 175.297 175.297 175.419 -0.122 25508 4420 1 10 . 1 1 24 24 GLY CA C 24 45.381 45.381 43.245 2.136 25508 4421 1 10 . 1 1 24 24 GLY H H 24 8.367 8.367 7.712 0.655 25508 4422 1 10 . 1 1 25 25 GLU N N 25 122.031 122.031 119.854 2.177 25508 4423 1 10 . 1 1 25 25 GLU HA H 25 3.887 3.887 4.060 -0.173 25508 4424 1 10 . 1 1 25 25 GLU C C 25 179.015 179.015 178.510 0.505 25508 4425 1 10 . 1 1 25 25 GLU CA C 25 59.283 59.283 59.637 -0.354 25508 4426 1 10 . 1 1 25 25 GLU CB C 25 29.176 29.176 29.440 -0.264 25508 4427 1 10 . 1 1 25 25 GLU H H 25 8.737 8.737 8.783 -0.046 25508 4428 1 10 . 1 1 26 26 LEU N N 26 120.531 120.531 120.407 0.124 25508 4429 1 10 . 1 1 26 26 LEU HA H 26 4.104 4.104 4.145 -0.041 25508 4430 1 10 . 1 1 26 26 LEU C C 26 178.836 178.836 178.131 0.705 25508 4431 1 10 . 1 1 26 26 LEU CA C 26 57.981 57.981 57.144 0.837 25508 4432 1 10 . 1 1 26 26 LEU CB C 26 40.939 40.939 41.240 -0.301 25508 4433 1 10 . 1 1 26 26 LEU H H 26 8.852 8.852 8.360 0.492 25508 4434 1 10 . 1 1 27 27 GLY N N 27 102.599 102.599 104.990 -2.391 25508 4435 1 10 . 1 1 27 27 GLY C C 27 175.874 175.874 175.658 0.216 25508 4436 1 10 . 1 1 27 27 GLY CA C 27 48.024 48.024 46.772 1.252 25508 4437 1 10 . 1 1 27 27 GLY H H 27 6.894 6.894 7.683 -0.789 25508 4438 1 10 . 1 1 28 28 LYS N N 28 122.738 122.738 120.303 2.435 25508 4439 1 10 . 1 1 28 28 LYS HA H 28 3.914 3.914 4.280 -0.366 25508 4440 1 10 . 1 1 28 28 LYS C C 28 177.965 177.965 178.047 -0.082 25508 4441 1 10 . 1 1 28 28 LYS CA C 28 59.844 59.844 59.015 0.829 25508 4442 1 10 . 1 1 28 28 LYS CB C 28 32.169 32.169 32.349 -0.180 25508 4443 1 10 . 1 1 28 28 LYS H H 28 7.449 7.449 7.805 -0.356 25508 4444 1 10 . 1 1 29 29 ARG N N 29 119.988 119.988 114.969 5.019 25508 4445 1 10 . 1 1 29 29 ARG HA H 29 3.998 3.998 4.357 -0.359 25508 4446 1 10 . 1 1 29 29 ARG CA C 29 59.876 59.876 56.950 2.926 25508 4447 1 10 . 1 1 29 29 ARG CB C 29 30.829 30.829 30.500 0.329 25508 4448 1 10 . 1 1 29 29 ARG H H 29 8.194 8.194 7.353 0.841 25508 4449 1 10 . 1 1 30 30 LEU N N 30 119.547 119.547 120.246 -0.699 25508 4450 1 10 . 1 1 30 30 LEU HA H 30 3.849 3.849 4.145 -0.296 25508 4451 1 10 . 1 1 30 30 LEU C C 30 177.351 177.351 178.594 -1.243 25508 4452 1 10 . 1 1 30 30 LEU CA C 30 58.068 58.068 57.309 0.759 25508 4453 1 10 . 1 1 30 30 LEU CB C 30 41.547 41.547 42.684 -1.137 25508 4454 1 10 . 1 1 30 30 LEU H H 30 8.333 8.333 7.531 0.802 25508 4455 1 10 . 1 1 31 31 TYR N N 31 118.033 118.033 117.263 0.770 25508 4456 1 10 . 1 1 31 31 TYR HA H 31 3.895 3.895 4.016 -0.121 25508 4457 1 10 . 1 1 31 31 TYR C C 31 178.434 178.434 176.401 2.033 25508 4458 1 10 . 1 1 31 31 TYR CA C 31 61.391 61.391 59.806 1.585 25508 4459 1 10 . 1 1 31 31 TYR CB C 31 39.083 39.083 37.596 1.487 25508 4460 1 10 . 1 1 31 31 TYR H H 31 8.106 8.106 7.779 0.327 25508 4461 1 10 . 1 1 32 32 GLU N N 32 117.126 117.126 115.308 1.818 25508 4462 1 10 . 1 1 32 32 GLU HA H 32 3.926 3.926 3.818 0.108 25508 4463 1 10 . 1 1 32 32 GLU C C 32 178.370 178.370 176.041 2.329 25508 4464 1 10 . 1 1 32 32 GLU CA C 32 58.603 58.603 56.315 2.288 25508 4465 1 10 . 1 1 32 32 GLU CB C 32 30.580 30.580 29.088 1.492 25508 4466 1 10 . 1 1 32 32 GLU H H 32 8.260 8.260 7.915 0.345 25508 4467 1 10 . 1 1 33 33 SER N N 33 108.887 108.887 112.123 -3.236 25508 4468 1 10 . 1 1 33 33 SER HA H 33 4.910 4.910 4.425 0.485 25508 4469 1 10 . 1 1 33 33 SER C C 33 171.776 171.776 173.874 -2.098 25508 4470 1 10 . 1 1 33 33 SER CA C 33 60.399 60.399 58.865 1.534 25508 4471 1 10 . 1 1 33 33 SER CB C 33 67.057 67.057 65.739 1.318 25508 4472 1 10 . 1 1 33 33 SER H H 33 7.553 7.553 7.750 -0.197 25508 4473 1 10 . 1 1 34 34 VAL N N 34 120.097 120.097 121.586 -1.489 25508 4474 1 10 . 1 1 34 34 VAL CA C 34 61.287 61.287 61.358 -0.071 25508 4475 1 10 . 1 1 34 34 VAL CB C 34 34.048 34.048 32.958 1.090 25508 4476 1 10 . 1 1 34 34 VAL H H 34 8.396 8.396 7.831 0.565 25508 4477 1 10 . 1 1 35 35 SER HA H 35 4.107 4.107 5.094 -0.987 25508 4478 1 10 . 1 1 35 35 SER C C 35 174.321 174.321 174.808 -0.487 25508 4479 1 10 . 1 1 35 35 SER CA C 35 58.771 58.771 57.139 1.631 25508 4480 1 10 . 1 1 35 35 SER CB C 35 66.899 66.899 65.744 1.155 25508 4481 1 10 . 1 1 36 36 LYS N N 36 119.115 119.115 121.544 -2.429 25508 4482 1 10 . 1 1 36 36 LYS HA H 36 4.016 4.016 4.090 -0.074 25508 4483 1 10 . 1 1 36 36 LYS C C 36 179.407 179.407 177.576 1.831 25508 4484 1 10 . 1 1 36 36 LYS CA C 36 60.728 60.728 59.100 1.628 25508 4485 1 10 . 1 1 36 36 LYS CB C 36 32.746 32.746 32.496 0.250 25508 4486 1 10 . 1 1 36 36 LYS H H 36 8.562 8.562 8.549 0.013 25508 4487 1 10 . 1 1 37 37 GLN N N 37 118.142 118.142 117.826 0.316 25508 4488 1 10 . 1 1 37 37 GLN HA H 37 3.970 3.970 4.394 -0.424 25508 4489 1 10 . 1 1 37 37 GLN C C 37 177.580 177.580 177.862 -0.282 25508 4490 1 10 . 1 1 37 37 GLN CA C 37 59.134 59.134 57.982 1.152 25508 4491 1 10 . 1 1 37 37 GLN CB C 37 28.534 28.534 28.831 -0.297 25508 4492 1 10 . 1 1 37 37 GLN H H 37 8.958 8.958 8.052 0.906 25508 4493 1 10 . 1 1 38 38 ALA N N 38 121.173 121.173 123.428 -2.255 25508 4494 1 10 . 1 1 38 38 ALA HA H 38 4.409 4.409 4.300 0.109 25508 4495 1 10 . 1 1 38 38 ALA C C 38 181.081 181.081 178.962 2.119 25508 4496 1 10 . 1 1 38 38 ALA CA C 38 55.065 55.065 54.315 0.750 25508 4497 1 10 . 1 1 38 38 ALA CB C 38 19.574 19.574 18.259 1.315 25508 4498 1 10 . 1 1 38 38 ALA H H 38 8.233 8.233 8.219 0.014 25508 4499 1 10 . 1 1 39 39 TRP N N 39 121.046 121.046 120.042 1.004 25508 4500 1 10 . 1 1 39 39 TRP HA H 39 4.898 4.898 4.318 0.580 25508 4501 1 10 . 1 1 39 39 TRP C C 39 176.886 176.886 177.482 -0.596 25508 4502 1 10 . 1 1 39 39 TRP CA C 39 60.403 60.403 60.039 0.364 25508 4503 1 10 . 1 1 39 39 TRP CB C 39 30.640 30.640 29.584 1.056 25508 4504 1 10 . 1 1 39 39 TRP H H 39 8.891 8.891 7.940 0.951 25508 4505 1 10 . 1 1 40 40 GLN N N 40 117.010 117.010 115.086 1.924 25508 4506 1 10 . 1 1 40 40 GLN HA H 40 3.715 3.715 3.918 -0.203 25508 4507 1 10 . 1 1 40 40 GLN C C 40 179.512 179.512 177.967 1.545 25508 4508 1 10 . 1 1 40 40 GLN CA C 40 59.159 59.159 58.114 1.045 25508 4509 1 10 . 1 1 40 40 GLN CB C 40 27.821 27.821 28.223 -0.402 25508 4510 1 10 . 1 1 40 40 GLN H H 40 8.541 8.541 7.616 0.925 25508 4511 1 10 . 1 1 41 41 ASP N N 41 120.036 120.036 121.573 -1.537 25508 4512 1 10 . 1 1 41 41 ASP HA H 41 4.396 4.396 4.377 0.019 25508 4513 1 10 . 1 1 41 41 ASP C C 41 179.637 179.637 177.964 1.673 25508 4514 1 10 . 1 1 41 41 ASP CA C 41 57.571 57.571 56.810 0.760 25508 4515 1 10 . 1 1 41 41 ASP CB C 41 40.205 40.205 40.834 -0.629 25508 4516 1 10 . 1 1 41 41 ASP H H 41 8.119 8.119 7.759 0.360 25508 4517 1 10 . 1 1 42 42 TRP N N 42 123.295 123.295 119.051 4.244 25508 4518 1 10 . 1 1 42 42 TRP HA H 42 3.992 3.992 4.439 -0.447 25508 4519 1 10 . 1 1 42 42 TRP C C 42 176.559 176.559 178.322 -1.763 25508 4520 1 10 . 1 1 42 42 TRP CA C 42 58.825 58.825 60.929 -2.104 25508 4521 1 10 . 1 1 42 42 TRP CB C 42 30.101 30.101 29.855 0.246 25508 4522 1 10 . 1 1 42 42 TRP H H 42 8.015 8.015 8.377 -0.362 25508 4523 1 10 . 1 1 43 43 LEU N N 43 118.444 118.444 119.106 -0.662 25508 4524 1 10 . 1 1 43 43 LEU HA H 43 3.073 3.073 3.851 -0.778 25508 4525 1 10 . 1 1 43 43 LEU C C 43 180.127 180.127 178.650 1.477 25508 4526 1 10 . 1 1 43 43 LEU CA C 43 57.710 57.710 57.487 0.223 25508 4527 1 10 . 1 1 43 43 LEU CB C 43 40.675 40.675 41.281 -0.605 25508 4528 1 10 . 1 1 43 43 LEU H H 43 8.027 8.027 7.333 0.694 25508 4529 1 10 . 1 1 44 44 LYS N N 44 117.577 117.577 120.000 -2.423 25508 4530 1 10 . 1 1 44 44 LYS HA H 44 3.871 3.871 3.807 0.064 25508 4531 1 10 . 1 1 44 44 LYS C C 44 179.010 179.010 178.714 0.296 25508 4532 1 10 . 1 1 44 44 LYS CA C 44 59.496 59.496 59.585 -0.089 25508 4533 1 10 . 1 1 44 44 LYS CB C 44 32.301 32.301 31.873 0.427 25508 4534 1 10 . 1 1 44 44 LYS H H 44 7.065 7.065 7.434 -0.369 25508 4535 1 10 . 1 1 45 45 GLN N N 45 120.755 120.755 117.286 3.469 25508 4536 1 10 . 1 1 45 45 GLN HA H 45 3.834 3.834 3.952 -0.118 25508 4537 1 10 . 1 1 45 45 GLN C C 45 177.807 177.807 178.437 -0.630 25508 4538 1 10 . 1 1 45 45 GLN CA C 45 57.760 57.760 58.676 -0.916 25508 4539 1 10 . 1 1 45 45 GLN CB C 45 27.623 27.623 27.437 0.186 25508 4540 1 10 . 1 1 45 45 GLN H H 45 7.033 7.033 8.006 -0.973 25508 4541 1 10 . 1 1 46 46 GLN N N 46 120.768 120.768 120.026 0.742 25508 4542 1 10 . 1 1 46 46 GLN HA H 46 3.065 3.065 3.953 -0.888 25508 4543 1 10 . 1 1 46 46 GLN C C 46 177.167 177.167 178.589 -1.422 25508 4544 1 10 . 1 1 46 46 GLN CA C 46 59.136 59.136 59.680 -0.544 25508 4545 1 10 . 1 1 46 46 GLN CB C 46 28.416 28.416 28.537 -0.121 25508 4546 1 10 . 1 1 46 46 GLN H H 46 8.346 8.346 7.594 0.752 25508 4547 1 10 . 1 1 47 47 THR N N 47 114.925 114.925 115.805 -0.880 25508 4548 1 10 . 1 1 47 47 THR HA H 47 3.690 3.690 4.080 -0.390 25508 4549 1 10 . 1 1 47 47 THR C C 47 175.615 175.615 176.516 -0.901 25508 4550 1 10 . 1 1 47 47 THR CA C 47 66.804 66.804 66.650 0.154 25508 4551 1 10 . 1 1 47 47 THR CB C 47 68.895 68.895 68.793 0.102 25508 4552 1 10 . 1 1 47 47 THR H H 47 7.629 7.629 8.027 -0.398 25508 4553 1 10 . 1 1 48 48 MET N N 48 120.050 120.050 121.412 -1.362 25508 4554 1 10 . 1 1 48 48 MET HA H 48 4.117 4.117 3.980 0.137 25508 4555 1 10 . 1 1 48 48 MET C C 48 177.928 177.928 178.617 -0.689 25508 4556 1 10 . 1 1 48 48 MET CA C 48 59.041 59.041 59.739 -0.698 25508 4557 1 10 . 1 1 48 48 MET CB C 48 31.985 31.985 32.496 -0.511 25508 4558 1 10 . 1 1 48 48 MET H H 48 7.077 7.077 8.270 -1.193 25508 4559 1 10 . 1 1 49 49 LEU N N 49 120.156 120.156 120.356 -0.200 25508 4560 1 10 . 1 1 49 49 LEU HA H 49 3.991 3.991 4.325 -0.334 25508 4561 1 10 . 1 1 49 49 LEU C C 49 180.284 180.284 179.334 0.950 25508 4562 1 10 . 1 1 49 49 LEU CA C 49 58.157 58.157 59.100 -0.943 25508 4563 1 10 . 1 1 49 49 LEU CB C 49 42.723 42.723 42.059 0.664 25508 4564 1 10 . 1 1 49 49 LEU H H 49 7.982 7.982 8.566 -0.584 25508 4565 1 10 . 1 1 50 50 ILE N N 50 119.987 119.987 119.720 0.267 25508 4566 1 10 . 1 1 50 50 ILE HA H 50 3.487 3.487 3.514 -0.027 25508 4567 1 10 . 1 1 50 50 ILE C C 50 178.074 178.074 177.897 0.177 25508 4568 1 10 . 1 1 50 50 ILE CA C 50 65.734 65.734 65.653 0.081 25508 4569 1 10 . 1 1 50 50 ILE CB C 50 38.622 38.622 37.557 1.065 25508 4570 1 10 . 1 1 50 50 ILE H H 50 8.275 8.275 7.592 0.683 25508 4571 1 10 . 1 1 51 51 ASN N N 51 117.331 117.331 116.628 0.703 25508 4572 1 10 . 1 1 51 51 ASN HA H 51 4.493 4.493 4.461 0.032 25508 4573 1 10 . 1 1 51 51 ASN C C 51 178.621 178.621 177.526 1.095 25508 4574 1 10 . 1 1 51 51 ASN CA C 51 55.787 55.787 56.189 -0.402 25508 4575 1 10 . 1 1 51 51 ASN CB C 51 38.273 38.273 38.788 -0.514 25508 4576 1 10 . 1 1 51 51 ASN H H 51 7.902 7.902 8.427 -0.525 25508 4577 1 10 . 1 1 52 52 GLU N N 52 120.128 120.128 119.885 0.243 25508 4578 1 10 . 1 1 52 52 GLU HA H 52 4.006 4.006 4.202 -0.196 25508 4579 1 10 . 1 1 52 52 GLU C C 52 177.628 177.628 178.284 -0.656 25508 4580 1 10 . 1 1 52 52 GLU CA C 52 59.034 59.034 58.727 0.306 25508 4581 1 10 . 1 1 52 52 GLU CB C 52 29.714 29.714 30.112 -0.398 25508 4582 1 10 . 1 1 52 52 GLU H H 52 8.958 8.958 7.996 0.962 25508 4583 1 10 . 1 1 53 53 ASN N N 53 112.872 112.872 115.159 -2.287 25508 4584 1 10 . 1 1 53 53 ASN HA H 53 4.666 4.666 4.743 -0.077 25508 4585 1 10 . 1 1 53 53 ASN C C 53 173.022 173.022 174.818 -1.796 25508 4586 1 10 . 1 1 53 53 ASN CA C 53 53.416 53.416 53.503 -0.087 25508 4587 1 10 . 1 1 53 53 ASN CB C 53 38.938 38.938 38.953 -0.015 25508 4588 1 10 . 1 1 53 53 ASN H H 53 7.535 7.535 8.307 -0.772 25508 4589 1 10 . 1 1 54 54 ARG N N 54 118.579 118.579 117.738 0.841 25508 4590 1 10 . 1 1 54 54 ARG HA H 54 3.975 3.975 4.046 -0.071 25508 4591 1 10 . 1 1 54 54 ARG C C 54 176.170 176.170 175.235 0.935 25508 4592 1 10 . 1 1 54 54 ARG CA C 54 56.615 56.615 56.540 0.075 25508 4593 1 10 . 1 1 54 54 ARG CB C 54 27.180 27.180 27.712 -0.532 25508 4594 1 10 . 1 1 54 54 ARG H H 54 7.696 7.696 7.548 0.148 25508 4595 1 10 . 1 1 55 55 LEU N N 55 116.705 116.705 118.797 -2.092 25508 4596 1 10 . 1 1 55 55 LEU HA H 55 4.097 4.097 4.283 -0.186 25508 4597 1 10 . 1 1 55 55 LEU C C 55 176.242 176.242 177.209 -0.967 25508 4598 1 10 . 1 1 55 55 LEU CA C 55 55.099 55.099 54.406 0.693 25508 4599 1 10 . 1 1 55 55 LEU CB C 55 42.694 42.694 42.953 -0.259 25508 4600 1 10 . 1 1 55 55 LEU H H 55 7.927 7.927 7.732 0.195 25508 4601 1 10 . 1 1 56 56 ASN N N 56 120.616 120.616 119.504 1.112 25508 4602 1 10 . 1 1 56 56 ASN HA H 56 4.708 4.708 4.898 -0.190 25508 4603 1 10 . 1 1 56 56 ASN C C 56 176.058 176.058 176.244 -0.186 25508 4604 1 10 . 1 1 56 56 ASN CA C 56 51.440 51.440 52.116 -0.676 25508 4605 1 10 . 1 1 56 56 ASN CB C 56 38.554 38.554 38.642 -0.089 25508 4606 1 10 . 1 1 56 56 ASN H H 56 8.530 8.530 8.539 -0.009 25508 4607 1 10 . 1 1 57 57 MET N N 57 121.659 121.659 123.542 -1.883 25508 4608 1 10 . 1 1 57 57 MET HA H 57 4.341 4.341 4.070 0.271 25508 4609 1 10 . 1 1 57 57 MET C C 57 176.694 176.694 177.535 -0.841 25508 4610 1 10 . 1 1 57 57 MET CA C 57 55.717 55.717 58.696 -2.979 25508 4611 1 10 . 1 1 57 57 MET CB C 57 30.266 30.266 32.600 -2.334 25508 4612 1 10 . 1 1 57 57 MET H H 57 8.628 8.628 8.258 0.370 25508 4613 1 10 . 1 1 58 58 ALA N N 58 120.515 120.515 120.311 0.204 25508 4614 1 10 . 1 1 58 58 ALA HA H 58 4.267 4.267 4.114 0.153 25508 4615 1 10 . 1 1 58 58 ALA C C 58 177.625 177.625 177.726 -0.101 25508 4616 1 10 . 1 1 58 58 ALA CA C 58 52.643 52.643 53.462 -0.819 25508 4617 1 10 . 1 1 58 58 ALA CB C 58 18.667 18.667 18.652 0.015 25508 4618 1 10 . 1 1 58 58 ALA H H 58 7.988 7.988 8.027 -0.039 25508 4619 1 10 . 1 1 59 59 ASP N N 59 121.926 121.926 116.628 5.298 25508 4620 1 10 . 1 1 59 59 ASP CA C 59 50.871 50.871 51.591 -0.720 25508 4621 1 10 . 1 1 59 59 ASP CB C 59 42.450 42.450 41.923 0.527 25508 4622 1 10 . 1 1 59 59 ASP H H 59 8.024 8.024 7.724 0.300 25508 4623 1 10 . 1 1 60 60 PRO HA H 60 4.186 4.186 4.358 -0.172 25508 4624 1 10 . 1 1 60 60 PRO C C 60 179.232 179.232 177.829 1.403 25508 4625 1 10 . 1 1 60 60 PRO CA C 60 65.347 65.347 64.284 1.063 25508 4626 1 10 . 1 1 60 60 PRO CB C 60 32.399 32.399 32.298 0.101 25508 4627 1 10 . 1 1 61 61 ARG N N 61 117.390 117.390 118.999 -1.609 25508 4628 1 10 . 1 1 61 61 ARG HA H 61 4.107 4.107 4.155 -0.048 25508 4629 1 10 . 1 1 61 61 ARG C C 61 179.817 179.817 178.137 1.680 25508 4630 1 10 . 1 1 61 61 ARG CA C 61 59.098 59.098 58.903 0.195 25508 4631 1 10 . 1 1 61 61 ARG CB C 61 29.670 29.670 28.909 0.761 25508 4632 1 10 . 1 1 61 61 ARG H H 61 8.597 8.597 8.610 -0.013 25508 4633 1 10 . 1 1 62 62 ALA N N 62 124.172 124.172 120.066 4.106 25508 4634 1 10 . 1 1 62 62 ALA HA H 62 4.201 4.201 4.350 -0.149 25508 4635 1 10 . 1 1 62 62 ALA C C 62 179.726 179.726 179.597 0.129 25508 4636 1 10 . 1 1 62 62 ALA CA C 62 55.011 55.011 54.300 0.711 25508 4637 1 10 . 1 1 62 62 ALA CB C 62 19.251 19.251 18.566 0.685 25508 4638 1 10 . 1 1 62 62 ALA H H 62 7.597 7.597 7.614 -0.017 25508 4639 1 10 . 1 1 63 63 ARG N N 63 116.483 116.483 117.898 -1.415 25508 4640 1 10 . 1 1 63 63 ARG HA H 63 3.985 3.985 4.301 -0.316 25508 4641 1 10 . 1 1 63 63 ARG C C 63 179.234 179.234 178.691 0.543 25508 4642 1 10 . 1 1 63 63 ARG CA C 63 60.029 60.029 57.487 2.542 25508 4643 1 10 . 1 1 63 63 ARG CB C 63 29.806 29.806 29.697 0.109 25508 4644 1 10 . 1 1 63 63 ARG H H 63 7.640 7.640 7.862 -0.222 25508 4645 1 10 . 1 1 64 64 GLN N N 64 119.143 119.143 119.154 -0.011 25508 4646 1 10 . 1 1 64 64 GLN HA H 64 4.095 4.095 4.217 -0.122 25508 4647 1 10 . 1 1 64 64 GLN C C 64 178.261 178.261 177.112 1.149 25508 4648 1 10 . 1 1 64 64 GLN CA C 64 59.183 59.183 58.110 1.073 25508 4649 1 10 . 1 1 64 64 GLN CB C 64 28.266 28.266 28.931 -0.665 25508 4650 1 10 . 1 1 64 64 GLN H H 64 8.114 8.114 8.359 -0.245 25508 4651 1 10 . 1 1 65 65 TYR N N 65 121.413 121.413 119.383 2.030 25508 4652 1 10 . 1 1 65 65 TYR HA H 65 4.321 4.321 4.360 -0.039 25508 4653 1 10 . 1 1 65 65 TYR C C 65 180.478 180.478 177.429 3.049 25508 4654 1 10 . 1 1 65 65 TYR CA C 65 61.407 61.407 60.787 0.620 25508 4655 1 10 . 1 1 65 65 TYR CB C 65 37.831 37.831 38.968 -1.137 25508 4656 1 10 . 1 1 65 65 TYR H H 65 7.929 7.929 7.648 0.281 25508 4657 1 10 . 1 1 66 66 LEU N N 66 119.499 119.499 120.260 -0.761 25508 4658 1 10 . 1 1 66 66 LEU HA H 66 3.870 3.870 3.770 0.100 25508 4659 1 10 . 1 1 66 66 LEU C C 66 180.847 180.847 178.405 2.442 25508 4660 1 10 . 1 1 66 66 LEU CA C 66 57.959 57.959 57.818 0.141 25508 4661 1 10 . 1 1 66 66 LEU CB C 66 41.522 41.522 41.702 -0.180 25508 4662 1 10 . 1 1 66 66 LEU H H 66 8.328 8.328 7.666 0.662 25508 4663 1 10 . 1 1 67 67 MET N N 67 122.316 122.316 116.469 5.847 25508 4664 1 10 . 1 1 67 67 MET HA H 67 4.100 4.100 4.199 -0.099 25508 4665 1 10 . 1 1 67 67 MET C C 67 178.402 178.402 178.432 -0.030 25508 4666 1 10 . 1 1 67 67 MET CA C 67 59.693 59.693 58.687 1.006 25508 4667 1 10 . 1 1 67 67 MET CB C 67 32.202 32.202 32.441 -0.238 25508 4668 1 10 . 1 1 67 67 MET H H 67 8.480 8.480 7.684 0.796 25508 4669 1 10 . 1 1 68 68 LYS N N 68 120.460 120.460 117.540 2.920 25508 4670 1 10 . 1 1 68 68 LYS HA H 68 4.160 4.160 4.125 0.035 25508 4671 1 10 . 1 1 68 68 LYS C C 68 179.963 179.963 179.081 0.882 25508 4672 1 10 . 1 1 68 68 LYS CA C 68 58.857 58.857 58.822 0.035 25508 4673 1 10 . 1 1 68 68 LYS CB C 68 31.276 31.276 31.786 -0.510 25508 4674 1 10 . 1 1 68 68 LYS H H 68 8.024 8.024 7.881 0.143 25508 4675 1 10 . 1 1 69 69 GLN N N 69 117.834 117.834 118.239 -0.405 25508 4676 1 10 . 1 1 69 69 GLN HA H 69 3.858 3.858 4.290 -0.432 25508 4677 1 10 . 1 1 69 69 GLN C C 69 178.013 178.013 177.885 0.128 25508 4678 1 10 . 1 1 69 69 GLN CA C 69 58.097 58.097 57.493 0.604 25508 4679 1 10 . 1 1 69 69 GLN CB C 69 27.601 27.601 28.909 -1.308 25508 4680 1 10 . 1 1 69 69 GLN H H 69 8.281 8.281 7.570 0.711 25508 4681 1 10 . 1 1 70 70 THR N N 70 119.066 119.066 116.147 2.919 25508 4682 1 10 . 1 1 70 70 THR HA H 70 2.666 2.666 4.178 -1.512 25508 4683 1 10 . 1 1 70 70 THR C C 70 175.189 175.189 176.019 -0.830 25508 4684 1 10 . 1 1 70 70 THR CA C 70 66.732 66.732 66.381 0.351 25508 4685 1 10 . 1 1 70 70 THR CB C 70 68.451 68.451 68.829 -0.378 25508 4686 1 10 . 1 1 70 70 THR H H 70 8.245 8.245 7.832 0.413 25508 4687 1 10 . 1 1 71 71 GLU N N 71 121.112 121.112 121.395 -0.283 25508 4688 1 10 . 1 1 71 71 GLU HA H 71 3.873 3.873 4.139 -0.266 25508 4689 1 10 . 1 1 71 71 GLU C C 71 177.903 177.903 178.332 -0.429 25508 4690 1 10 . 1 1 71 71 GLU CA C 71 60.325 60.325 59.421 0.904 25508 4691 1 10 . 1 1 71 71 GLU CB C 71 30.065 30.065 29.932 0.133 25508 4692 1 10 . 1 1 71 71 GLU H H 71 7.872 7.872 7.996 -0.124 25508 4693 1 10 . 1 1 72 72 LYS N N 72 118.112 118.112 118.022 0.090 25508 4694 1 10 . 1 1 72 72 LYS HA H 72 3.853 3.853 4.100 -0.247 25508 4695 1 10 . 1 1 72 72 LYS C C 72 178.447 178.447 179.310 -0.863 25508 4696 1 10 . 1 1 72 72 LYS CA C 72 59.199 59.199 58.369 0.830 25508 4697 1 10 . 1 1 72 72 LYS CB C 72 32.705 32.705 31.945 0.760 25508 4698 1 10 . 1 1 72 72 LYS H H 72 7.932 7.932 7.768 0.164 25508 4699 1 10 . 1 1 73 73 TYR N N 73 119.703 119.703 120.441 -0.738 25508 4700 1 10 . 1 1 73 73 TYR HA H 73 3.704 3.704 4.194 -0.490 25508 4701 1 10 . 1 1 73 73 TYR C C 73 176.953 176.953 176.873 0.080 25508 4702 1 10 . 1 1 73 73 TYR CA C 73 61.540 61.540 60.894 0.646 25508 4703 1 10 . 1 1 73 73 TYR CB C 73 38.266 38.266 38.494 -0.228 25508 4704 1 10 . 1 1 73 73 TYR H H 73 7.800 7.800 7.426 0.374 25508 4705 1 10 . 1 1 74 74 PHE N N 74 111.749 111.749 116.680 -4.931 25508 4706 1 10 . 1 1 74 74 PHE HA H 74 3.886 3.886 4.318 -0.432 25508 4707 1 10 . 1 1 74 74 PHE C C 74 176.300 176.300 175.707 0.593 25508 4708 1 10 . 1 1 74 74 PHE CA C 74 61.784 61.784 59.866 1.918 25508 4709 1 10 . 1 1 74 74 PHE CB C 74 39.690 39.690 41.014 -1.324 25508 4710 1 10 . 1 1 74 74 PHE H H 74 7.139 7.139 7.494 -0.355 25508 4711 1 10 . 1 1 75 75 PHE N N 75 114.845 114.845 115.938 -1.093 25508 4712 1 10 . 1 1 75 75 PHE HA H 75 5.009 5.009 4.704 0.305 25508 4713 1 10 . 1 1 75 75 PHE C C 75 176.448 176.448 176.529 -0.081 25508 4714 1 10 . 1 1 75 75 PHE CA C 75 56.575 56.575 55.586 0.989 25508 4715 1 10 . 1 1 75 75 PHE CB C 75 40.353 40.353 37.661 2.692 25508 4716 1 10 . 1 1 75 75 PHE H H 75 8.275 8.275 7.179 1.096 25508 4717 1 10 . 1 1 76 76 GLY N N 76 109.977 109.977 109.513 0.464 25508 4718 1 10 . 1 1 76 76 GLY C C 76 173.602 173.602 174.932 -1.330 25508 4719 1 10 . 1 1 76 76 GLY CA C 76 45.375 45.375 44.724 0.651 25508 4720 1 10 . 1 1 76 76 GLY H H 76 7.836 7.836 7.534 0.302 25508 4721 1 10 . 1 1 77 77 GLU N N 77 120.068 120.068 121.931 -1.863 25508 4722 1 10 . 1 1 77 77 GLU HA H 77 4.259 4.259 4.027 0.232 25508 4723 1 10 . 1 1 77 77 GLU C C 77 176.925 176.925 178.392 -1.467 25508 4724 1 10 . 1 1 77 77 GLU CA C 77 56.647 56.647 58.438 -1.791 25508 4725 1 10 . 1 1 77 77 GLU CB C 77 30.694 30.694 29.080 1.614 25508 4726 1 10 . 1 1 77 77 GLU H H 77 8.445 8.445 8.587 -0.142 25508 4727 1 10 . 1 1 78 78 GLY N N 78 110.135 110.135 108.155 1.980 25508 4728 1 10 . 1 1 78 78 GLY C C 78 174.241 174.241 172.907 1.334 25508 4729 1 10 . 1 1 78 78 GLY CA C 78 45.368 45.368 44.163 1.205 25508 4730 1 10 . 1 1 78 78 GLY H H 78 8.457 8.457 8.398 0.059 25508 4731 1 10 . 1 1 79 79 ALA N N 79 123.773 123.773 123.936 -0.163 25508 4732 1 10 . 1 1 79 79 ALA HA H 79 4.208 4.208 4.585 -0.377 25508 4733 1 10 . 1 1 79 79 ALA C C 79 177.657 177.657 176.188 1.469 25508 4734 1 10 . 1 1 79 79 ALA CA C 79 52.782 52.782 51.398 1.384 25508 4735 1 10 . 1 1 79 79 ALA CB C 79 19.145 19.145 20.787 -1.642 25508 4736 1 10 . 1 1 79 79 ALA H H 79 8.195 8.195 7.356 0.839 25508 4737 1 10 . 1 1 80 80 ASP N N 80 118.833 118.833 123.744 -4.911 25508 4738 1 10 . 1 1 80 80 ASP HA H 80 4.473 4.473 4.776 -0.303 25508 4739 1 10 . 1 1 80 80 ASP C C 80 176.374 176.374 175.742 0.632 25508 4740 1 10 . 1 1 80 80 ASP CA C 80 54.383 54.383 54.121 0.262 25508 4741 1 10 . 1 1 80 80 ASP CB C 80 40.940 40.940 40.729 0.211 25508 4742 1 10 . 1 1 80 80 ASP H H 80 8.347 8.347 8.517 -0.170 25508 4743 1 10 . 1 1 81 81 GLN N N 81 120.376 120.376 122.482 -2.106 25508 4744 1 10 . 1 1 81 81 GLN HA H 81 4.225 4.225 4.697 -0.472 25508 4745 1 10 . 1 1 81 81 GLN C C 81 176.029 176.029 174.878 1.151 25508 4746 1 10 . 1 1 81 81 GLN CA C 81 55.969 55.969 54.745 1.224 25508 4747 1 10 . 1 1 81 81 GLN CB C 81 29.242 29.242 31.611 -2.369 25508 4748 1 10 . 1 1 81 81 GLN H H 81 8.188 8.188 8.589 -0.401 25508 4749 1 10 . 1 1 82 82 ALA N N 82 124.734 124.734 123.165 1.569 25508 4750 1 10 . 1 1 82 82 ALA HA H 82 4.271 4.271 4.620 -0.349 25508 4751 1 10 . 1 1 82 82 ALA C C 82 178.011 178.011 176.429 1.582 25508 4752 1 10 . 1 1 82 82 ALA CA C 82 52.680 52.680 52.490 0.190 25508 4753 1 10 . 1 1 82 82 ALA CB C 82 19.023 19.023 19.588 -0.565 25508 4754 1 10 . 1 1 82 82 ALA H H 82 8.307 8.307 8.531 -0.224 25508 4755 1 10 . 1 1 83 83 SER N N 83 114.999 114.999 115.210 -0.211 25508 4756 1 10 . 1 1 83 83 SER HA H 83 4.368 4.368 4.457 -0.089 25508 4757 1 10 . 1 1 83 83 SER C C 83 175.141 175.141 175.131 0.010 25508 4758 1 10 . 1 1 83 83 SER CA C 83 58.843 58.843 57.876 0.967 25508 4759 1 10 . 1 1 83 83 SER CB C 83 63.849 63.849 64.142 -0.293 25508 4760 1 10 . 1 1 83 83 SER H H 83 8.269 8.269 7.825 0.444 25508 4761 1 10 . 1 1 84 84 GLY N N 84 110.722 110.722 110.829 -0.107 25508 4762 1 10 . 1 1 84 84 GLY C C 84 173.457 173.457 173.417 0.040 25508 4763 1 10 . 1 1 84 84 GLY CA C 84 45.168 45.168 45.702 -0.534 25508 4764 1 10 . 1 1 84 84 GLY H H 84 8.324 8.324 8.659 -0.335 25508 4765 1 10 . 1 1 85 85 TYR N N 85 121.054 121.054 120.075 0.979 25508 4766 1 10 . 1 1 85 85 TYR HA H 85 4.395 4.395 4.842 -0.447 25508 4767 1 10 . 1 1 85 85 TYR C C 85 174.866 174.866 174.919 -0.053 25508 4768 1 10 . 1 1 85 85 TYR CA C 85 58.433 58.433 56.809 1.624 25508 4769 1 10 . 1 1 85 85 TYR CB C 85 38.856 38.856 40.437 -1.581 25508 4770 1 10 . 1 1 85 85 TYR H H 85 7.982 7.982 7.931 0.051 25508 4771 1 10 . 1 1 86 86 VAL N N 86 127.973 127.973 119.415 8.558 25508 4772 1 10 . 1 1 86 86 VAL CA C 86 58.815 58.815 59.609 -0.794 25508 4773 1 10 . 1 1 86 86 VAL CB C 86 33.360 33.360 32.249 1.111 25508 4774 1 10 . 1 1 86 86 VAL H H 86 7.734 7.734 8.426 -0.692 25508 4775 1 10 . 1 1 88 88 PRO HA H 88 4.320 4.320 4.421 -0.101 25508 4776 1 10 . 1 1 88 88 PRO C C 88 176.654 176.654 176.208 0.446 25508 4777 1 10 . 1 1 88 88 PRO CA C 88 62.735 62.735 62.424 0.311 25508 4778 1 10 . 1 1 88 88 PRO CB C 88 32.007 32.007 32.185 -0.178 25508 4779 1 10 . 1 1 89 89 ALA N N 89 124.497 124.497 122.429 2.068 25508 4780 1 10 . 1 1 89 89 ALA HA H 89 4.213 4.213 4.324 -0.111 25508 4781 1 10 . 1 1 89 89 ALA C C 89 177.739 177.739 177.688 0.051 25508 4782 1 10 . 1 1 89 89 ALA CA C 89 52.564 52.564 52.220 0.344 25508 4783 1 10 . 1 1 89 89 ALA CB C 89 19.103 19.103 19.048 0.055 25508 4784 1 10 . 1 1 89 89 ALA H H 89 8.332 8.332 8.170 0.162 25508 4785 1 10 . 1 1 90 90 GLN N N 90 119.712 119.712 122.669 -2.957 25508 4786 1 10 . 1 1 90 90 GLN HA H 90 4.301 4.301 4.299 0.002 25508 4787 1 10 . 1 1 90 90 GLN C C 90 175.302 175.302 175.957 -0.655 25508 4788 1 10 . 1 1 90 90 GLN CA C 90 55.717 55.717 55.989 -0.272 25508 4789 1 10 . 1 1 90 90 GLN CB C 90 29.764 29.764 29.503 0.261 25508 4790 1 10 . 1 1 90 90 GLN H H 90 8.338 8.338 8.926 -0.588 25508 4791 1 11 . 1 1 2 2 ALA N N 2 125.581 125.581 127.946 -2.365 25508 4792 1 11 . 1 1 2 2 ALA HA H 2 4.204 4.204 4.596 -0.392 25508 4793 1 11 . 1 1 2 2 ALA C C 2 176.764 176.764 175.806 0.958 25508 4794 1 11 . 1 1 2 2 ALA CA C 2 52.280 52.280 52.191 0.089 25508 4795 1 11 . 1 1 2 2 ALA CB C 2 19.494 19.494 20.607 -1.113 25508 4796 1 11 . 1 1 2 2 ALA H H 2 8.203 8.203 8.495 -0.292 25508 4797 1 11 . 1 1 3 3 ARG N N 3 123.058 123.058 117.165 5.893 25508 4798 1 11 . 1 1 3 3 ARG HA H 3 4.247 4.247 4.478 -0.231 25508 4799 1 11 . 1 1 3 3 ARG C C 3 174.914 174.914 174.003 0.911 25508 4800 1 11 . 1 1 3 3 ARG CA C 3 55.678 55.678 55.835 -0.157 25508 4801 1 11 . 1 1 3 3 ARG CB C 3 31.276 31.276 32.508 -1.232 25508 4802 1 11 . 1 1 3 3 ARG H H 3 8.649 8.649 7.846 0.803 25508 4803 1 11 . 1 1 4 4 MET N N 4 125.010 125.010 118.936 6.074 25508 4804 1 11 . 1 1 4 4 MET HA H 4 4.966 4.966 4.837 0.129 25508 4805 1 11 . 1 1 4 4 MET C C 4 176.144 176.144 174.775 1.369 25508 4806 1 11 . 1 1 4 4 MET CA C 4 53.311 53.311 54.987 -1.676 25508 4807 1 11 . 1 1 4 4 MET CB C 4 32.120 32.120 33.589 -1.468 25508 4808 1 11 . 1 1 4 4 MET H H 4 8.427 8.427 8.348 0.079 25508 4809 1 11 . 1 1 5 5 ILE N N 5 117.850 117.850 117.624 0.226 25508 4810 1 11 . 1 1 5 5 ILE HA H 5 4.623 4.623 4.613 0.010 25508 4811 1 11 . 1 1 5 5 ILE C C 5 174.207 174.207 173.874 0.333 25508 4812 1 11 . 1 1 5 5 ILE CA C 5 58.353 58.353 58.975 -0.622 25508 4813 1 11 . 1 1 5 5 ILE CB C 5 42.910 42.910 42.022 0.888 25508 4814 1 11 . 1 1 5 5 ILE H H 5 8.860 8.860 8.469 0.391 25508 4815 1 11 . 1 1 6 6 HIS N N 6 120.378 120.378 118.663 1.715 25508 4816 1 11 . 1 1 6 6 HIS HA H 6 4.301 4.301 5.241 -0.940 25508 4817 1 11 . 1 1 6 6 HIS C C 6 173.087 173.087 175.393 -2.306 25508 4818 1 11 . 1 1 6 6 HIS CA C 6 56.131 56.131 53.681 2.450 25508 4819 1 11 . 1 1 6 6 HIS CB C 6 28.508 28.508 28.224 0.284 25508 4820 1 11 . 1 1 6 6 HIS H H 6 8.506 8.506 8.148 0.358 25508 4821 1 11 . 1 1 7 7 CYS N N 7 131.021 131.021 121.966 9.055 25508 4822 1 11 . 1 1 7 7 CYS HA H 7 4.154 4.154 4.053 0.101 25508 4823 1 11 . 1 1 7 7 CYS C C 7 177.621 177.621 175.750 1.871 25508 4824 1 11 . 1 1 7 7 CYS CA C 7 61.346 61.346 59.086 2.260 25508 4825 1 11 . 1 1 7 7 CYS CB C 7 31.004 31.004 27.370 3.634 25508 4826 1 11 . 1 1 7 7 CYS H H 7 7.873 7.873 8.062 -0.189 25508 4827 1 11 . 1 1 8 8 ALA N N 8 133.325 133.325 128.287 5.038 25508 4828 1 11 . 1 1 8 8 ALA HA H 8 4.229 4.229 3.978 0.252 25508 4829 1 11 . 1 1 8 8 ALA C C 8 178.608 178.608 177.475 1.133 25508 4830 1 11 . 1 1 8 8 ALA CA C 8 54.478 54.478 53.535 0.943 25508 4831 1 11 . 1 1 8 8 ALA CB C 8 19.264 19.264 18.079 1.185 25508 4832 1 11 . 1 1 8 8 ALA H H 8 9.543 9.543 7.708 1.835 25508 4833 1 11 . 1 1 9 9 LYS N N 9 122.128 122.128 117.761 4.367 25508 4834 1 11 . 1 1 9 9 LYS CA C 9 56.353 56.353 58.117 -1.764 25508 4835 1 11 . 1 1 9 9 LYS CB C 9 33.619 33.619 32.588 1.031 25508 4836 1 11 . 1 1 9 9 LYS H H 9 9.739 9.739 8.003 1.736 25508 4837 1 11 . 1 1 10 10 LEU HA H 10 4.194 4.194 4.787 -0.593 25508 4838 1 11 . 1 1 10 10 LEU C C 10 178.870 178.870 178.096 0.774 25508 4839 1 11 . 1 1 10 10 LEU CA C 10 55.934 55.934 55.079 0.855 25508 4840 1 11 . 1 1 10 10 LEU CB C 10 42.693 42.693 43.338 -0.645 25508 4841 1 11 . 1 1 11 11 GLY N N 11 107.385 107.385 105.801 1.584 25508 4842 1 11 . 1 1 11 11 GLY C C 11 173.268 173.268 173.313 -0.045 25508 4843 1 11 . 1 1 11 11 GLY CA C 11 46.756 46.756 44.847 1.909 25508 4844 1 11 . 1 1 11 11 GLY H H 11 8.258 8.258 8.026 0.232 25508 4845 1 11 . 1 1 12 12 LYS N N 12 112.456 112.456 117.376 -4.920 25508 4846 1 11 . 1 1 12 12 LYS HA H 12 4.547 4.547 4.612 -0.065 25508 4847 1 11 . 1 1 12 12 LYS C C 12 173.822 173.822 174.039 -0.217 25508 4848 1 11 . 1 1 12 12 LYS CA C 12 53.523 53.523 54.268 -0.745 25508 4849 1 11 . 1 1 12 12 LYS CB C 12 35.156 35.156 34.729 0.427 25508 4850 1 11 . 1 1 12 12 LYS H H 12 6.772 6.772 7.663 -0.891 25508 4851 1 11 . 1 1 13 13 GLU N N 13 121.058 121.058 120.112 0.946 25508 4852 1 11 . 1 1 13 13 GLU HA H 13 4.874 4.874 4.577 0.297 25508 4853 1 11 . 1 1 13 13 GLU C C 13 176.290 176.290 175.639 0.651 25508 4854 1 11 . 1 1 13 13 GLU CA C 13 56.291 56.291 56.581 -0.290 25508 4855 1 11 . 1 1 13 13 GLU CB C 13 29.827 29.827 30.299 -0.472 25508 4856 1 11 . 1 1 13 13 GLU H H 13 8.402 8.402 8.607 -0.205 25508 4857 1 11 . 1 1 14 14 ALA N N 14 127.978 127.978 128.323 -0.345 25508 4858 1 11 . 1 1 14 14 ALA HA H 14 4.514 4.514 4.634 -0.120 25508 4859 1 11 . 1 1 14 14 ALA C C 14 175.156 175.156 175.534 -0.378 25508 4860 1 11 . 1 1 14 14 ALA CA C 14 51.437 51.437 50.871 0.566 25508 4861 1 11 . 1 1 14 14 ALA CB C 14 23.586 23.586 21.944 1.642 25508 4862 1 11 . 1 1 14 14 ALA H H 14 9.330 9.330 8.865 0.465 25508 4863 1 11 . 1 1 15 15 GLU N N 15 120.272 120.272 119.190 1.082 25508 4864 1 11 . 1 1 15 15 GLU HA H 15 4.573 4.573 4.402 0.171 25508 4865 1 11 . 1 1 15 15 GLU C C 15 178.292 178.292 177.342 0.950 25508 4866 1 11 . 1 1 15 15 GLU CA C 15 57.645 57.645 57.529 0.116 25508 4867 1 11 . 1 1 15 15 GLU CB C 15 30.016 30.016 30.333 -0.317 25508 4868 1 11 . 1 1 15 15 GLU H H 15 8.560 8.560 8.442 0.118 25508 4869 1 11 . 1 1 16 16 GLY N N 16 113.246 113.246 106.751 6.495 25508 4870 1 11 . 1 1 16 16 GLY C C 16 172.877 172.877 174.519 -1.642 25508 4871 1 11 . 1 1 16 16 GLY CA C 16 44.636 44.636 43.774 0.862 25508 4872 1 11 . 1 1 16 16 GLY H H 16 9.236 9.236 7.731 1.505 25508 4873 1 11 . 1 1 17 17 LEU N N 17 120.058 120.058 122.609 -2.551 25508 4874 1 11 . 1 1 17 17 LEU HA H 17 3.960 3.960 4.059 -0.099 25508 4875 1 11 . 1 1 17 17 LEU C C 17 177.457 177.457 177.587 -0.130 25508 4876 1 11 . 1 1 17 17 LEU CA C 17 55.375 55.375 57.261 -1.886 25508 4877 1 11 . 1 1 17 17 LEU CB C 17 43.355 43.355 42.148 1.207 25508 4878 1 11 . 1 1 17 17 LEU H H 17 9.482 9.482 8.257 1.225 25508 4879 1 11 . 1 1 18 18 ASP N N 18 118.600 118.600 117.493 1.107 25508 4880 1 11 . 1 1 18 18 ASP HA H 18 4.531 4.531 4.549 -0.018 25508 4881 1 11 . 1 1 18 18 ASP C C 18 175.929 175.929 174.349 1.580 25508 4882 1 11 . 1 1 18 18 ASP CA C 18 56.544 56.544 55.566 0.978 25508 4883 1 11 . 1 1 18 18 ASP CB C 18 41.655 41.655 40.237 1.418 25508 4884 1 11 . 1 1 18 18 ASP H H 18 8.848 8.848 8.264 0.584 25508 4885 1 11 . 1 1 19 19 PHE N N 19 113.195 113.195 116.241 -3.046 25508 4886 1 11 . 1 1 19 19 PHE CA C 19 55.070 55.070 55.612 -0.542 25508 4887 1 11 . 1 1 19 19 PHE CB C 19 38.588 38.588 42.033 -3.445 25508 4888 1 11 . 1 1 19 19 PHE H H 19 7.108 7.108 7.771 -0.663 25508 4889 1 11 . 1 1 21 21 PRO HA H 21 4.357 4.357 4.569 -0.212 25508 4890 1 11 . 1 1 21 21 PRO C C 21 174.627 174.627 175.641 -1.014 25508 4891 1 11 . 1 1 21 21 PRO CA C 21 63.914 63.914 64.148 -0.234 25508 4892 1 11 . 1 1 21 21 PRO CB C 21 31.431 31.431 32.632 -1.201 25508 4893 1 11 . 1 1 22 22 LEU N N 22 117.643 117.643 111.891 5.752 25508 4894 1 11 . 1 1 22 22 LEU CA C 22 51.462 51.462 52.257 -0.795 25508 4895 1 11 . 1 1 22 22 LEU CB C 22 46.011 46.011 42.306 3.705 25508 4896 1 11 . 1 1 22 22 LEU H H 22 6.788 6.788 7.157 -0.369 25508 4897 1 11 . 1 1 24 24 GLY N N 24 105.443 105.443 107.719 -2.276 25508 4898 1 11 . 1 1 24 24 GLY C C 24 175.297 175.297 175.121 0.176 25508 4899 1 11 . 1 1 24 24 GLY CA C 24 45.381 45.381 43.241 2.140 25508 4900 1 11 . 1 1 24 24 GLY H H 24 8.367 8.367 7.684 0.683 25508 4901 1 11 . 1 1 25 25 GLU N N 25 122.031 122.031 120.631 1.400 25508 4902 1 11 . 1 1 25 25 GLU HA H 25 3.887 3.887 4.070 -0.183 25508 4903 1 11 . 1 1 25 25 GLU C C 25 179.015 179.015 177.863 1.152 25508 4904 1 11 . 1 1 25 25 GLU CA C 25 59.283 59.283 59.314 -0.031 25508 4905 1 11 . 1 1 25 25 GLU CB C 25 29.176 29.176 29.380 -0.204 25508 4906 1 11 . 1 1 25 25 GLU H H 25 8.737 8.737 8.746 -0.009 25508 4907 1 11 . 1 1 26 26 LEU N N 26 120.531 120.531 119.635 0.896 25508 4908 1 11 . 1 1 26 26 LEU HA H 26 4.104 4.104 4.232 -0.128 25508 4909 1 11 . 1 1 26 26 LEU C C 26 178.836 178.836 178.614 0.222 25508 4910 1 11 . 1 1 26 26 LEU CA C 26 57.981 57.981 57.017 0.964 25508 4911 1 11 . 1 1 26 26 LEU CB C 26 40.939 40.939 41.434 -0.494 25508 4912 1 11 . 1 1 26 26 LEU H H 26 8.852 8.852 8.151 0.701 25508 4913 1 11 . 1 1 27 27 GLY N N 27 102.599 102.599 106.366 -3.767 25508 4914 1 11 . 1 1 27 27 GLY C C 27 175.874 175.874 175.443 0.431 25508 4915 1 11 . 1 1 27 27 GLY CA C 27 48.024 48.024 46.693 1.331 25508 4916 1 11 . 1 1 27 27 GLY H H 27 6.894 6.894 7.696 -0.802 25508 4917 1 11 . 1 1 28 28 LYS N N 28 122.738 122.738 121.763 0.975 25508 4918 1 11 . 1 1 28 28 LYS HA H 28 3.914 3.914 4.268 -0.354 25508 4919 1 11 . 1 1 28 28 LYS C C 28 177.965 177.965 178.498 -0.533 25508 4920 1 11 . 1 1 28 28 LYS CA C 28 59.844 59.844 58.990 0.854 25508 4921 1 11 . 1 1 28 28 LYS CB C 28 32.169 32.169 32.415 -0.246 25508 4922 1 11 . 1 1 28 28 LYS H H 28 7.449 7.449 7.528 -0.079 25508 4923 1 11 . 1 1 29 29 ARG N N 29 119.988 119.988 115.920 4.068 25508 4924 1 11 . 1 1 29 29 ARG HA H 29 3.998 3.998 4.457 -0.459 25508 4925 1 11 . 1 1 29 29 ARG CA C 29 59.876 59.876 57.716 2.160 25508 4926 1 11 . 1 1 29 29 ARG CB C 29 30.829 30.829 30.346 0.483 25508 4927 1 11 . 1 1 29 29 ARG H H 29 8.194 8.194 7.522 0.672 25508 4928 1 11 . 1 1 30 30 LEU N N 30 119.547 119.547 121.223 -1.676 25508 4929 1 11 . 1 1 30 30 LEU HA H 30 3.849 3.849 4.294 -0.445 25508 4930 1 11 . 1 1 30 30 LEU C C 30 177.351 177.351 178.292 -0.941 25508 4931 1 11 . 1 1 30 30 LEU CA C 30 58.068 58.068 57.452 0.616 25508 4932 1 11 . 1 1 30 30 LEU CB C 30 41.547 41.547 42.657 -1.110 25508 4933 1 11 . 1 1 30 30 LEU H H 30 8.333 8.333 7.973 0.360 25508 4934 1 11 . 1 1 31 31 TYR N N 31 118.033 118.033 118.132 -0.099 25508 4935 1 11 . 1 1 31 31 TYR HA H 31 3.895 3.895 4.159 -0.264 25508 4936 1 11 . 1 1 31 31 TYR C C 31 178.434 178.434 176.138 2.296 25508 4937 1 11 . 1 1 31 31 TYR CA C 31 61.391 61.391 60.452 0.939 25508 4938 1 11 . 1 1 31 31 TYR CB C 31 39.083 39.083 37.888 1.195 25508 4939 1 11 . 1 1 31 31 TYR H H 31 8.106 8.106 8.454 -0.348 25508 4940 1 11 . 1 1 32 32 GLU N N 32 117.126 117.126 114.799 2.327 25508 4941 1 11 . 1 1 32 32 GLU HA H 32 3.926 3.926 3.772 0.154 25508 4942 1 11 . 1 1 32 32 GLU C C 32 178.370 178.370 176.091 2.279 25508 4943 1 11 . 1 1 32 32 GLU CA C 32 58.603 58.603 56.287 2.316 25508 4944 1 11 . 1 1 32 32 GLU CB C 32 30.580 30.580 28.878 1.702 25508 4945 1 11 . 1 1 32 32 GLU H H 32 8.260 8.260 7.975 0.285 25508 4946 1 11 . 1 1 33 33 SER N N 33 108.887 108.887 114.466 -5.579 25508 4947 1 11 . 1 1 33 33 SER HA H 33 4.910 4.910 4.547 0.363 25508 4948 1 11 . 1 1 33 33 SER C C 33 171.776 171.776 173.729 -1.953 25508 4949 1 11 . 1 1 33 33 SER CA C 33 60.399 60.399 60.144 0.255 25508 4950 1 11 . 1 1 33 33 SER CB C 33 67.057 67.057 66.469 0.588 25508 4951 1 11 . 1 1 33 33 SER H H 33 7.553 7.553 7.838 -0.285 25508 4952 1 11 . 1 1 34 34 VAL N N 34 120.097 120.097 121.733 -1.636 25508 4953 1 11 . 1 1 34 34 VAL CA C 34 61.287 61.287 61.648 -0.361 25508 4954 1 11 . 1 1 34 34 VAL CB C 34 34.048 34.048 33.205 0.843 25508 4955 1 11 . 1 1 34 34 VAL H H 34 8.396 8.396 8.249 0.147 25508 4956 1 11 . 1 1 35 35 SER HA H 35 4.107 4.107 4.997 -0.890 25508 4957 1 11 . 1 1 35 35 SER C C 35 174.321 174.321 174.655 -0.334 25508 4958 1 11 . 1 1 35 35 SER CA C 35 58.771 58.771 56.568 2.203 25508 4959 1 11 . 1 1 35 35 SER CB C 35 66.899 66.899 66.201 0.698 25508 4960 1 11 . 1 1 36 36 LYS N N 36 119.115 119.115 120.277 -1.162 25508 4961 1 11 . 1 1 36 36 LYS HA H 36 4.016 4.016 4.106 -0.090 25508 4962 1 11 . 1 1 36 36 LYS C C 36 179.407 179.407 177.939 1.468 25508 4963 1 11 . 1 1 36 36 LYS CA C 36 60.728 60.728 58.888 1.840 25508 4964 1 11 . 1 1 36 36 LYS CB C 36 32.746 32.746 32.474 0.272 25508 4965 1 11 . 1 1 36 36 LYS H H 36 8.562 8.562 8.283 0.279 25508 4966 1 11 . 1 1 37 37 GLN N N 37 118.142 118.142 118.268 -0.126 25508 4967 1 11 . 1 1 37 37 GLN HA H 37 3.970 3.970 4.329 -0.359 25508 4968 1 11 . 1 1 37 37 GLN C C 37 177.580 177.580 177.984 -0.404 25508 4969 1 11 . 1 1 37 37 GLN CA C 37 59.134 59.134 57.797 1.337 25508 4970 1 11 . 1 1 37 37 GLN CB C 37 28.534 28.534 29.105 -0.571 25508 4971 1 11 . 1 1 37 37 GLN H H 37 8.958 8.958 7.573 1.385 25508 4972 1 11 . 1 1 38 38 ALA N N 38 121.173 121.173 123.334 -2.161 25508 4973 1 11 . 1 1 38 38 ALA HA H 38 4.409 4.409 4.265 0.144 25508 4974 1 11 . 1 1 38 38 ALA C C 38 181.081 181.081 178.781 2.300 25508 4975 1 11 . 1 1 38 38 ALA CA C 38 55.065 55.065 54.103 0.962 25508 4976 1 11 . 1 1 38 38 ALA CB C 38 19.574 19.574 18.169 1.405 25508 4977 1 11 . 1 1 38 38 ALA H H 38 8.233 8.233 7.865 0.368 25508 4978 1 11 . 1 1 39 39 TRP N N 39 121.046 121.046 120.634 0.412 25508 4979 1 11 . 1 1 39 39 TRP HA H 39 4.898 4.898 4.301 0.597 25508 4980 1 11 . 1 1 39 39 TRP C C 39 176.886 176.886 177.258 -0.372 25508 4981 1 11 . 1 1 39 39 TRP CA C 39 60.403 60.403 60.826 -0.423 25508 4982 1 11 . 1 1 39 39 TRP CB C 39 30.640 30.640 29.481 1.159 25508 4983 1 11 . 1 1 39 39 TRP H H 39 8.891 8.891 8.033 0.858 25508 4984 1 11 . 1 1 40 40 GLN N N 40 117.010 117.010 116.084 0.926 25508 4985 1 11 . 1 1 40 40 GLN HA H 40 3.715 3.715 3.943 -0.228 25508 4986 1 11 . 1 1 40 40 GLN C C 40 179.512 179.512 178.347 1.165 25508 4987 1 11 . 1 1 40 40 GLN CA C 40 59.159 59.159 58.923 0.236 25508 4988 1 11 . 1 1 40 40 GLN CB C 40 27.821 27.821 27.960 -0.139 25508 4989 1 11 . 1 1 40 40 GLN H H 40 8.541 8.541 7.762 0.779 25508 4990 1 11 . 1 1 41 41 ASP N N 41 120.036 120.036 120.329 -0.293 25508 4991 1 11 . 1 1 41 41 ASP HA H 41 4.396 4.396 4.376 0.020 25508 4992 1 11 . 1 1 41 41 ASP C C 41 179.637 179.637 178.038 1.599 25508 4993 1 11 . 1 1 41 41 ASP CA C 41 57.571 57.571 57.327 0.244 25508 4994 1 11 . 1 1 41 41 ASP CB C 41 40.205 40.205 40.848 -0.643 25508 4995 1 11 . 1 1 41 41 ASP H H 41 8.119 8.119 7.927 0.192 25508 4996 1 11 . 1 1 42 42 TRP N N 42 123.295 123.295 121.706 1.589 25508 4997 1 11 . 1 1 42 42 TRP HA H 42 3.992 3.992 4.188 -0.196 25508 4998 1 11 . 1 1 42 42 TRP C C 42 176.559 176.559 177.924 -1.365 25508 4999 1 11 . 1 1 42 42 TRP CA C 42 58.825 58.825 59.828 -1.003 25508 5000 1 11 . 1 1 42 42 TRP CB C 42 30.101 30.101 29.114 0.987 25508 5001 1 11 . 1 1 42 42 TRP H H 42 8.015 8.015 7.296 0.719 25508 5002 1 11 . 1 1 43 43 LEU N N 43 118.444 118.444 118.872 -0.428 25508 5003 1 11 . 1 1 43 43 LEU HA H 43 3.073 3.073 3.356 -0.283 25508 5004 1 11 . 1 1 43 43 LEU C C 43 180.127 180.127 178.912 1.215 25508 5005 1 11 . 1 1 43 43 LEU CA C 43 57.710 57.710 57.482 0.228 25508 5006 1 11 . 1 1 43 43 LEU CB C 43 40.675 40.675 40.868 -0.193 25508 5007 1 11 . 1 1 43 43 LEU H H 43 8.027 8.027 7.574 0.453 25508 5008 1 11 . 1 1 44 44 LYS N N 44 117.577 117.577 119.495 -1.918 25508 5009 1 11 . 1 1 44 44 LYS HA H 44 3.871 3.871 3.824 0.047 25508 5010 1 11 . 1 1 44 44 LYS C C 44 179.010 179.010 178.555 0.455 25508 5011 1 11 . 1 1 44 44 LYS CA C 44 59.496 59.496 60.180 -0.684 25508 5012 1 11 . 1 1 44 44 LYS CB C 44 32.301 32.301 32.161 0.140 25508 5013 1 11 . 1 1 44 44 LYS H H 44 7.065 7.065 7.441 -0.376 25508 5014 1 11 . 1 1 45 45 GLN N N 45 120.755 120.755 117.201 3.554 25508 5015 1 11 . 1 1 45 45 GLN HA H 45 3.834 3.834 4.090 -0.256 25508 5016 1 11 . 1 1 45 45 GLN C C 45 177.807 177.807 178.196 -0.389 25508 5017 1 11 . 1 1 45 45 GLN CA C 45 57.760 57.760 58.401 -0.641 25508 5018 1 11 . 1 1 45 45 GLN CB C 45 27.623 27.623 27.941 -0.318 25508 5019 1 11 . 1 1 45 45 GLN H H 45 7.033 7.033 7.750 -0.717 25508 5020 1 11 . 1 1 46 46 GLN N N 46 120.768 120.768 120.676 0.092 25508 5021 1 11 . 1 1 46 46 GLN HA H 46 3.065 3.065 3.690 -0.625 25508 5022 1 11 . 1 1 46 46 GLN C C 46 177.167 177.167 178.334 -1.167 25508 5023 1 11 . 1 1 46 46 GLN CA C 46 59.136 59.136 59.637 -0.501 25508 5024 1 11 . 1 1 46 46 GLN CB C 46 28.416 28.416 28.349 0.068 25508 5025 1 11 . 1 1 46 46 GLN H H 46 8.346 8.346 8.289 0.057 25508 5026 1 11 . 1 1 47 47 THR N N 47 114.925 114.925 115.895 -0.970 25508 5027 1 11 . 1 1 47 47 THR HA H 47 3.690 3.690 3.900 -0.210 25508 5028 1 11 . 1 1 47 47 THR C C 47 175.615 175.615 176.309 -0.694 25508 5029 1 11 . 1 1 47 47 THR CA C 47 66.804 66.804 66.998 -0.194 25508 5030 1 11 . 1 1 47 47 THR CB C 47 68.895 68.895 68.670 0.225 25508 5031 1 11 . 1 1 47 47 THR H H 47 7.629 7.629 7.720 -0.091 25508 5032 1 11 . 1 1 48 48 MET N N 48 120.050 120.050 120.846 -0.796 25508 5033 1 11 . 1 1 48 48 MET HA H 48 4.117 4.117 4.115 0.002 25508 5034 1 11 . 1 1 48 48 MET C C 48 177.928 177.928 178.576 -0.648 25508 5035 1 11 . 1 1 48 48 MET CA C 48 59.041 59.041 58.424 0.617 25508 5036 1 11 . 1 1 48 48 MET CB C 48 31.985 31.985 31.776 0.208 25508 5037 1 11 . 1 1 48 48 MET H H 48 7.077 7.077 7.514 -0.437 25508 5038 1 11 . 1 1 49 49 LEU N N 49 120.156 120.156 120.658 -0.502 25508 5039 1 11 . 1 1 49 49 LEU HA H 49 3.991 3.991 4.118 -0.127 25508 5040 1 11 . 1 1 49 49 LEU C C 49 180.284 180.284 179.506 0.778 25508 5041 1 11 . 1 1 49 49 LEU CA C 49 58.157 58.157 58.328 -0.171 25508 5042 1 11 . 1 1 49 49 LEU CB C 49 42.723 42.723 41.259 1.464 25508 5043 1 11 . 1 1 49 49 LEU H H 49 7.982 7.982 8.606 -0.624 25508 5044 1 11 . 1 1 50 50 ILE N N 50 119.987 119.987 119.494 0.493 25508 5045 1 11 . 1 1 50 50 ILE HA H 50 3.487 3.487 3.472 0.015 25508 5046 1 11 . 1 1 50 50 ILE C C 50 178.074 178.074 178.570 -0.496 25508 5047 1 11 . 1 1 50 50 ILE CA C 50 65.734 65.734 65.697 0.037 25508 5048 1 11 . 1 1 50 50 ILE CB C 50 38.622 38.622 37.513 1.109 25508 5049 1 11 . 1 1 50 50 ILE H H 50 8.275 8.275 8.390 -0.115 25508 5050 1 11 . 1 1 51 51 ASN N N 51 117.331 117.331 117.103 0.228 25508 5051 1 11 . 1 1 51 51 ASN HA H 51 4.493 4.493 4.415 0.078 25508 5052 1 11 . 1 1 51 51 ASN C C 51 178.621 178.621 175.787 2.834 25508 5053 1 11 . 1 1 51 51 ASN CA C 51 55.787 55.787 56.360 -0.573 25508 5054 1 11 . 1 1 51 51 ASN CB C 51 38.273 38.273 38.993 -0.721 25508 5055 1 11 . 1 1 51 51 ASN H H 51 7.902 7.902 8.356 -0.454 25508 5056 1 11 . 1 1 52 52 GLU N N 52 120.128 120.128 119.472 0.656 25508 5057 1 11 . 1 1 52 52 GLU HA H 52 4.006 4.006 3.977 0.029 25508 5058 1 11 . 1 1 52 52 GLU C C 52 177.628 177.628 178.624 -0.996 25508 5059 1 11 . 1 1 52 52 GLU CA C 52 59.034 59.034 59.164 -0.130 25508 5060 1 11 . 1 1 52 52 GLU CB C 52 29.714 29.714 30.105 -0.391 25508 5061 1 11 . 1 1 52 52 GLU H H 52 8.958 8.958 8.106 0.852 25508 5062 1 11 . 1 1 53 53 ASN N N 53 112.872 112.872 116.226 -3.354 25508 5063 1 11 . 1 1 53 53 ASN HA H 53 4.666 4.666 4.485 0.181 25508 5064 1 11 . 1 1 53 53 ASN C C 53 173.022 173.022 175.218 -2.196 25508 5065 1 11 . 1 1 53 53 ASN CA C 53 53.416 53.416 54.434 -1.018 25508 5066 1 11 . 1 1 53 53 ASN CB C 53 38.938 38.938 38.622 0.316 25508 5067 1 11 . 1 1 53 53 ASN H H 53 7.535 7.535 8.325 -0.790 25508 5068 1 11 . 1 1 54 54 ARG N N 54 118.579 118.579 114.370 4.209 25508 5069 1 11 . 1 1 54 54 ARG HA H 54 3.975 3.975 4.068 -0.093 25508 5070 1 11 . 1 1 54 54 ARG C C 54 176.170 176.170 175.248 0.922 25508 5071 1 11 . 1 1 54 54 ARG CA C 54 56.615 56.615 56.529 0.086 25508 5072 1 11 . 1 1 54 54 ARG CB C 54 27.180 27.180 26.941 0.239 25508 5073 1 11 . 1 1 54 54 ARG H H 54 7.696 7.696 7.452 0.244 25508 5074 1 11 . 1 1 55 55 LEU N N 55 116.705 116.705 118.913 -2.208 25508 5075 1 11 . 1 1 55 55 LEU HA H 55 4.097 4.097 4.338 -0.241 25508 5076 1 11 . 1 1 55 55 LEU C C 55 176.242 176.242 177.109 -0.867 25508 5077 1 11 . 1 1 55 55 LEU CA C 55 55.099 55.099 53.817 1.282 25508 5078 1 11 . 1 1 55 55 LEU CB C 55 42.694 42.694 42.717 -0.023 25508 5079 1 11 . 1 1 55 55 LEU H H 55 7.927 7.927 7.576 0.351 25508 5080 1 11 . 1 1 56 56 ASN N N 56 120.616 120.616 119.046 1.570 25508 5081 1 11 . 1 1 56 56 ASN HA H 56 4.708 4.708 4.938 -0.230 25508 5082 1 11 . 1 1 56 56 ASN C C 56 176.058 176.058 175.656 0.402 25508 5083 1 11 . 1 1 56 56 ASN CA C 56 51.440 51.440 51.585 -0.145 25508 5084 1 11 . 1 1 56 56 ASN CB C 56 38.554 38.554 38.192 0.362 25508 5085 1 11 . 1 1 56 56 ASN H H 56 8.530 8.530 8.513 0.017 25508 5086 1 11 . 1 1 57 57 MET N N 57 121.659 121.659 123.786 -2.127 25508 5087 1 11 . 1 1 57 57 MET HA H 57 4.341 4.341 4.020 0.321 25508 5088 1 11 . 1 1 57 57 MET C C 57 176.694 176.694 177.281 -0.587 25508 5089 1 11 . 1 1 57 57 MET CA C 57 55.717 55.717 59.165 -3.448 25508 5090 1 11 . 1 1 57 57 MET CB C 57 30.266 30.266 32.522 -2.256 25508 5091 1 11 . 1 1 57 57 MET H H 57 8.628 8.628 8.546 0.082 25508 5092 1 11 . 1 1 58 58 ALA N N 58 120.515 120.515 120.399 0.116 25508 5093 1 11 . 1 1 58 58 ALA HA H 58 4.267 4.267 4.132 0.135 25508 5094 1 11 . 1 1 58 58 ALA C C 58 177.625 177.625 177.952 -0.327 25508 5095 1 11 . 1 1 58 58 ALA CA C 58 52.643 52.643 53.411 -0.768 25508 5096 1 11 . 1 1 58 58 ALA CB C 58 18.667 18.667 18.800 -0.133 25508 5097 1 11 . 1 1 58 58 ALA H H 58 7.988 7.988 7.823 0.165 25508 5098 1 11 . 1 1 59 59 ASP N N 59 121.926 121.926 116.969 4.957 25508 5099 1 11 . 1 1 59 59 ASP CA C 59 50.871 50.871 51.449 -0.578 25508 5100 1 11 . 1 1 59 59 ASP CB C 59 42.450 42.450 41.650 0.800 25508 5101 1 11 . 1 1 59 59 ASP H H 59 8.024 8.024 7.804 0.220 25508 5102 1 11 . 1 1 60 60 PRO HA H 60 4.186 4.186 4.367 -0.181 25508 5103 1 11 . 1 1 60 60 PRO C C 60 179.232 179.232 177.943 1.289 25508 5104 1 11 . 1 1 60 60 PRO CA C 60 65.347 65.347 64.316 1.031 25508 5105 1 11 . 1 1 60 60 PRO CB C 60 32.399 32.399 32.381 0.018 25508 5106 1 11 . 1 1 61 61 ARG N N 61 117.390 117.390 118.820 -1.430 25508 5107 1 11 . 1 1 61 61 ARG HA H 61 4.107 4.107 4.149 -0.042 25508 5108 1 11 . 1 1 61 61 ARG C C 61 179.817 179.817 178.111 1.706 25508 5109 1 11 . 1 1 61 61 ARG CA C 61 59.098 59.098 59.086 0.012 25508 5110 1 11 . 1 1 61 61 ARG CB C 61 29.670 29.670 29.118 0.552 25508 5111 1 11 . 1 1 61 61 ARG H H 61 8.597 8.597 8.615 -0.018 25508 5112 1 11 . 1 1 62 62 ALA N N 62 124.172 124.172 119.923 4.249 25508 5113 1 11 . 1 1 62 62 ALA HA H 62 4.201 4.201 4.331 -0.130 25508 5114 1 11 . 1 1 62 62 ALA C C 62 179.726 179.726 179.589 0.137 25508 5115 1 11 . 1 1 62 62 ALA CA C 62 55.011 55.011 54.279 0.732 25508 5116 1 11 . 1 1 62 62 ALA CB C 62 19.251 19.251 18.568 0.683 25508 5117 1 11 . 1 1 62 62 ALA H H 62 7.597 7.597 7.622 -0.025 25508 5118 1 11 . 1 1 63 63 ARG N N 63 116.483 116.483 117.734 -1.251 25508 5119 1 11 . 1 1 63 63 ARG HA H 63 3.985 3.985 4.336 -0.351 25508 5120 1 11 . 1 1 63 63 ARG C C 63 179.234 179.234 178.681 0.553 25508 5121 1 11 . 1 1 63 63 ARG CA C 63 60.029 60.029 57.587 2.442 25508 5122 1 11 . 1 1 63 63 ARG CB C 63 29.806 29.806 29.668 0.138 25508 5123 1 11 . 1 1 63 63 ARG H H 63 7.640 7.640 7.819 -0.179 25508 5124 1 11 . 1 1 64 64 GLN N N 64 119.143 119.143 118.861 0.282 25508 5125 1 11 . 1 1 64 64 GLN HA H 64 4.095 4.095 4.259 -0.164 25508 5126 1 11 . 1 1 64 64 GLN C C 64 178.261 178.261 176.765 1.496 25508 5127 1 11 . 1 1 64 64 GLN CA C 64 59.183 59.183 58.177 1.006 25508 5128 1 11 . 1 1 64 64 GLN CB C 64 28.266 28.266 29.255 -0.989 25508 5129 1 11 . 1 1 64 64 GLN H H 64 8.114 8.114 8.048 0.066 25508 5130 1 11 . 1 1 65 65 TYR N N 65 121.413 121.413 118.786 2.627 25508 5131 1 11 . 1 1 65 65 TYR HA H 65 4.321 4.321 4.489 -0.168 25508 5132 1 11 . 1 1 65 65 TYR C C 65 180.478 180.478 177.321 3.157 25508 5133 1 11 . 1 1 65 65 TYR CA C 65 61.407 61.407 60.511 0.896 25508 5134 1 11 . 1 1 65 65 TYR CB C 65 37.831 37.831 39.491 -1.660 25508 5135 1 11 . 1 1 65 65 TYR H H 65 7.929 7.929 7.674 0.255 25508 5136 1 11 . 1 1 66 66 LEU N N 66 119.499 119.499 121.085 -1.586 25508 5137 1 11 . 1 1 66 66 LEU HA H 66 3.870 3.870 3.979 -0.109 25508 5138 1 11 . 1 1 66 66 LEU C C 66 180.847 180.847 178.402 2.445 25508 5139 1 11 . 1 1 66 66 LEU CA C 66 57.959 57.959 57.931 0.028 25508 5140 1 11 . 1 1 66 66 LEU CB C 66 41.522 41.522 42.154 -0.632 25508 5141 1 11 . 1 1 66 66 LEU H H 66 8.328 8.328 7.820 0.508 25508 5142 1 11 . 1 1 67 67 MET N N 67 122.316 122.316 114.214 8.102 25508 5143 1 11 . 1 1 67 67 MET HA H 67 4.100 4.100 4.296 -0.196 25508 5144 1 11 . 1 1 67 67 MET C C 67 178.402 178.402 177.851 0.551 25508 5145 1 11 . 1 1 67 67 MET CA C 67 59.693 59.693 58.448 1.245 25508 5146 1 11 . 1 1 67 67 MET CB C 67 32.202 32.202 32.181 0.021 25508 5147 1 11 . 1 1 67 67 MET H H 67 8.480 8.480 7.738 0.742 25508 5148 1 11 . 1 1 68 68 LYS N N 68 120.460 120.460 117.211 3.249 25508 5149 1 11 . 1 1 68 68 LYS HA H 68 4.160 4.160 4.240 -0.080 25508 5150 1 11 . 1 1 68 68 LYS C C 68 179.963 179.963 179.014 0.949 25508 5151 1 11 . 1 1 68 68 LYS CA C 68 58.857 58.857 58.106 0.751 25508 5152 1 11 . 1 1 68 68 LYS CB C 68 31.276 31.276 31.882 -0.606 25508 5153 1 11 . 1 1 68 68 LYS H H 68 8.024 8.024 7.712 0.312 25508 5154 1 11 . 1 1 69 69 GLN N N 69 117.834 117.834 117.742 0.092 25508 5155 1 11 . 1 1 69 69 GLN HA H 69 3.858 3.858 4.311 -0.453 25508 5156 1 11 . 1 1 69 69 GLN C C 69 178.013 178.013 177.636 0.377 25508 5157 1 11 . 1 1 69 69 GLN CA C 69 58.097 58.097 57.484 0.613 25508 5158 1 11 . 1 1 69 69 GLN CB C 69 27.601 27.601 28.594 -0.993 25508 5159 1 11 . 1 1 69 69 GLN H H 69 8.281 8.281 7.931 0.350 25508 5160 1 11 . 1 1 70 70 THR N N 70 119.066 119.066 115.092 3.974 25508 5161 1 11 . 1 1 70 70 THR HA H 70 2.666 2.666 4.057 -1.391 25508 5162 1 11 . 1 1 70 70 THR C C 70 175.189 175.189 175.446 -0.257 25508 5163 1 11 . 1 1 70 70 THR CA C 70 66.732 66.732 65.068 1.664 25508 5164 1 11 . 1 1 70 70 THR CB C 70 68.451 68.451 68.604 -0.153 25508 5165 1 11 . 1 1 70 70 THR H H 70 8.245 8.245 8.026 0.219 25508 5166 1 11 . 1 1 71 71 GLU N N 71 121.112 121.112 122.134 -1.022 25508 5167 1 11 . 1 1 71 71 GLU HA H 71 3.873 3.873 4.105 -0.232 25508 5168 1 11 . 1 1 71 71 GLU C C 71 177.903 177.903 178.100 -0.197 25508 5169 1 11 . 1 1 71 71 GLU CA C 71 60.325 60.325 59.531 0.794 25508 5170 1 11 . 1 1 71 71 GLU CB C 71 30.065 30.065 29.738 0.327 25508 5171 1 11 . 1 1 71 71 GLU H H 71 7.872 7.872 7.909 -0.037 25508 5172 1 11 . 1 1 72 72 LYS N N 72 118.112 118.112 117.951 0.161 25508 5173 1 11 . 1 1 72 72 LYS HA H 72 3.853 3.853 4.082 -0.229 25508 5174 1 11 . 1 1 72 72 LYS C C 72 178.447 178.447 178.773 -0.326 25508 5175 1 11 . 1 1 72 72 LYS CA C 72 59.199 59.199 58.213 0.986 25508 5176 1 11 . 1 1 72 72 LYS CB C 72 32.705 32.705 31.910 0.795 25508 5177 1 11 . 1 1 72 72 LYS H H 72 7.932 7.932 7.662 0.270 25508 5178 1 11 . 1 1 73 73 TYR N N 73 119.703 119.703 119.459 0.244 25508 5179 1 11 . 1 1 73 73 TYR HA H 73 3.704 3.704 4.171 -0.467 25508 5180 1 11 . 1 1 73 73 TYR C C 73 176.953 176.953 177.532 -0.579 25508 5181 1 11 . 1 1 73 73 TYR CA C 73 61.540 61.540 62.144 -0.604 25508 5182 1 11 . 1 1 73 73 TYR CB C 73 38.266 38.266 38.779 -0.513 25508 5183 1 11 . 1 1 73 73 TYR H H 73 7.800 7.800 7.314 0.486 25508 5184 1 11 . 1 1 74 74 PHE N N 74 111.749 111.749 116.972 -5.223 25508 5185 1 11 . 1 1 74 74 PHE HA H 74 3.886 3.886 4.235 -0.349 25508 5186 1 11 . 1 1 74 74 PHE C C 74 176.300 176.300 176.955 -0.655 25508 5187 1 11 . 1 1 74 74 PHE CA C 74 61.784 61.784 60.733 1.051 25508 5188 1 11 . 1 1 74 74 PHE CB C 74 39.690 39.690 39.688 0.001 25508 5189 1 11 . 1 1 74 74 PHE H H 74 7.139 7.139 7.803 -0.664 25508 5190 1 11 . 1 1 75 75 PHE N N 75 114.845 114.845 116.106 -1.261 25508 5191 1 11 . 1 1 75 75 PHE HA H 75 5.009 5.009 4.414 0.595 25508 5192 1 11 . 1 1 75 75 PHE C C 75 176.448 176.448 176.240 0.208 25508 5193 1 11 . 1 1 75 75 PHE CA C 75 56.575 56.575 57.796 -1.221 25508 5194 1 11 . 1 1 75 75 PHE CB C 75 40.353 40.353 38.291 2.062 25508 5195 1 11 . 1 1 75 75 PHE H H 75 8.275 8.275 7.509 0.766 25508 5196 1 11 . 1 1 76 76 GLY N N 76 109.977 109.977 106.523 3.454 25508 5197 1 11 . 1 1 76 76 GLY C C 76 173.602 173.602 174.448 -0.846 25508 5198 1 11 . 1 1 76 76 GLY CA C 76 45.375 45.375 45.182 0.193 25508 5199 1 11 . 1 1 76 76 GLY H H 76 7.836 7.836 7.612 0.224 25508 5200 1 11 . 1 1 77 77 GLU N N 77 120.068 120.068 122.849 -2.781 25508 5201 1 11 . 1 1 77 77 GLU HA H 77 4.259 4.259 3.980 0.279 25508 5202 1 11 . 1 1 77 77 GLU C C 77 176.925 176.925 178.564 -1.639 25508 5203 1 11 . 1 1 77 77 GLU CA C 77 56.647 56.647 58.513 -1.866 25508 5204 1 11 . 1 1 77 77 GLU CB C 77 30.694 30.694 29.435 1.259 25508 5205 1 11 . 1 1 77 77 GLU H H 77 8.445 8.445 8.548 -0.103 25508 5206 1 11 . 1 1 78 78 GLY N N 78 110.135 110.135 107.580 2.555 25508 5207 1 11 . 1 1 78 78 GLY C C 78 174.241 174.241 173.008 1.233 25508 5208 1 11 . 1 1 78 78 GLY CA C 78 45.368 45.368 44.239 1.129 25508 5209 1 11 . 1 1 78 78 GLY H H 78 8.457 8.457 7.666 0.791 25508 5210 1 11 . 1 1 79 79 ALA N N 79 123.773 123.773 121.821 1.952 25508 5211 1 11 . 1 1 79 79 ALA HA H 79 4.208 4.208 4.596 -0.388 25508 5212 1 11 . 1 1 79 79 ALA C C 79 177.657 177.657 176.132 1.525 25508 5213 1 11 . 1 1 79 79 ALA CA C 79 52.782 52.782 50.931 1.851 25508 5214 1 11 . 1 1 79 79 ALA CB C 79 19.145 19.145 20.614 -1.469 25508 5215 1 11 . 1 1 79 79 ALA H H 79 8.195 8.195 7.279 0.916 25508 5216 1 11 . 1 1 80 80 ASP N N 80 118.833 118.833 118.975 -0.142 25508 5217 1 11 . 1 1 80 80 ASP HA H 80 4.473 4.473 4.748 -0.275 25508 5218 1 11 . 1 1 80 80 ASP C C 80 176.374 176.374 176.784 -0.410 25508 5219 1 11 . 1 1 80 80 ASP CA C 80 54.383 54.383 53.517 0.866 25508 5220 1 11 . 1 1 80 80 ASP CB C 80 40.940 40.940 42.635 -1.695 25508 5221 1 11 . 1 1 80 80 ASP H H 80 8.347 8.347 8.339 0.008 25508 5222 1 11 . 1 1 81 81 GLN N N 81 120.376 120.376 119.367 1.009 25508 5223 1 11 . 1 1 81 81 GLN HA H 81 4.225 4.225 4.200 0.025 25508 5224 1 11 . 1 1 81 81 GLN C C 81 176.029 176.029 175.187 0.842 25508 5225 1 11 . 1 1 81 81 GLN CA C 81 55.969 55.969 56.473 -0.504 25508 5226 1 11 . 1 1 81 81 GLN CB C 81 29.242 29.242 26.461 2.781 25508 5227 1 11 . 1 1 81 81 GLN H H 81 8.188 8.188 8.586 -0.398 25508 5228 1 11 . 1 1 82 82 ALA N N 82 124.734 124.734 122.162 2.572 25508 5229 1 11 . 1 1 82 82 ALA HA H 82 4.271 4.271 3.976 0.295 25508 5230 1 11 . 1 1 82 82 ALA C C 82 178.011 178.011 176.090 1.921 25508 5231 1 11 . 1 1 82 82 ALA CA C 82 52.680 52.680 52.741 -0.061 25508 5232 1 11 . 1 1 82 82 ALA CB C 82 19.023 19.023 17.536 1.487 25508 5233 1 11 . 1 1 82 82 ALA H H 82 8.307 8.307 8.284 0.023 25508 5234 1 11 . 1 1 83 83 SER N N 83 114.999 114.999 114.339 0.660 25508 5235 1 11 . 1 1 83 83 SER HA H 83 4.368 4.368 4.537 -0.169 25508 5236 1 11 . 1 1 83 83 SER C C 83 175.141 175.141 175.072 0.069 25508 5237 1 11 . 1 1 83 83 SER CA C 83 58.843 58.843 57.750 1.093 25508 5238 1 11 . 1 1 83 83 SER CB C 83 63.849 63.849 63.963 -0.114 25508 5239 1 11 . 1 1 83 83 SER H H 83 8.269 8.269 7.846 0.423 25508 5240 1 11 . 1 1 84 84 GLY N N 84 110.722 110.722 112.721 -1.999 25508 5241 1 11 . 1 1 84 84 GLY C C 84 173.457 173.457 173.909 -0.452 25508 5242 1 11 . 1 1 84 84 GLY CA C 84 45.168 45.168 44.405 0.763 25508 5243 1 11 . 1 1 84 84 GLY H H 84 8.324 8.324 8.277 0.047 25508 5244 1 11 . 1 1 85 85 TYR N N 85 121.054 121.054 122.242 -1.188 25508 5245 1 11 . 1 1 85 85 TYR HA H 85 4.395 4.395 4.468 -0.073 25508 5246 1 11 . 1 1 85 85 TYR C C 85 174.866 174.866 175.506 -0.640 25508 5247 1 11 . 1 1 85 85 TYR CA C 85 58.433 58.433 57.932 0.501 25508 5248 1 11 . 1 1 85 85 TYR CB C 85 38.856 38.856 39.148 -0.292 25508 5249 1 11 . 1 1 85 85 TYR H H 85 7.982 7.982 8.205 -0.223 25508 5250 1 11 . 1 1 86 86 VAL N N 86 127.973 127.973 119.244 8.729 25508 5251 1 11 . 1 1 86 86 VAL CA C 86 58.815 58.815 59.109 -0.295 25508 5252 1 11 . 1 1 86 86 VAL CB C 86 33.360 33.360 32.388 0.972 25508 5253 1 11 . 1 1 86 86 VAL H H 86 7.734 7.734 7.361 0.373 25508 5254 1 11 . 1 1 88 88 PRO HA H 88 4.320 4.320 4.266 0.054 25508 5255 1 11 . 1 1 88 88 PRO C C 88 176.654 176.654 176.350 0.304 25508 5256 1 11 . 1 1 88 88 PRO CA C 88 62.735 62.735 63.602 -0.867 25508 5257 1 11 . 1 1 88 88 PRO CB C 88 32.007 32.007 31.870 0.137 25508 5258 1 11 . 1 1 89 89 ALA N N 89 124.497 124.497 120.363 4.134 25508 5259 1 11 . 1 1 89 89 ALA HA H 89 4.213 4.213 4.070 0.143 25508 5260 1 11 . 1 1 89 89 ALA C C 89 177.739 177.739 178.185 -0.446 25508 5261 1 11 . 1 1 89 89 ALA CA C 89 52.564 52.564 52.555 0.009 25508 5262 1 11 . 1 1 89 89 ALA CB C 89 19.103 19.103 17.244 1.859 25508 5263 1 11 . 1 1 89 89 ALA H H 89 8.332 8.332 8.083 0.249 25508 5264 1 11 . 1 1 90 90 GLN N N 90 119.712 119.712 119.007 0.705 25508 5265 1 11 . 1 1 90 90 GLN HA H 90 4.301 4.301 4.222 0.079 25508 5266 1 11 . 1 1 90 90 GLN C C 90 175.302 175.302 176.839 -1.537 25508 5267 1 11 . 1 1 90 90 GLN CA C 90 55.717 55.717 56.973 -1.256 25508 5268 1 11 . 1 1 90 90 GLN CB C 90 29.764 29.764 29.516 0.248 25508 5269 1 11 . 1 1 90 90 GLN H H 90 8.338 8.338 8.600 -0.262 25508 5270 1 12 . 1 1 2 2 ALA N N 2 125.581 125.581 127.096 -1.515 25508 5271 1 12 . 1 1 2 2 ALA HA H 2 4.204 4.204 4.250 -0.046 25508 5272 1 12 . 1 1 2 2 ALA C C 2 176.764 176.764 177.499 -0.735 25508 5273 1 12 . 1 1 2 2 ALA CA C 2 52.280 52.280 53.138 -0.858 25508 5274 1 12 . 1 1 2 2 ALA CB C 2 19.494 19.494 19.430 0.064 25508 5275 1 12 . 1 1 2 2 ALA H H 2 8.203 8.203 8.434 -0.231 25508 5276 1 12 . 1 1 3 3 ARG N N 3 123.058 123.058 115.962 7.096 25508 5277 1 12 . 1 1 3 3 ARG HA H 3 4.247 4.247 4.458 -0.211 25508 5278 1 12 . 1 1 3 3 ARG C C 3 174.914 174.914 174.349 0.565 25508 5279 1 12 . 1 1 3 3 ARG CA C 3 55.678 55.678 55.177 0.501 25508 5280 1 12 . 1 1 3 3 ARG CB C 3 31.276 31.276 33.262 -1.986 25508 5281 1 12 . 1 1 3 3 ARG H H 3 8.649 8.649 7.924 0.725 25508 5282 1 12 . 1 1 4 4 MET N N 4 125.010 125.010 118.571 6.439 25508 5283 1 12 . 1 1 4 4 MET HA H 4 4.966 4.966 4.774 0.192 25508 5284 1 12 . 1 1 4 4 MET C C 4 176.144 176.144 174.595 1.549 25508 5285 1 12 . 1 1 4 4 MET CA C 4 53.311 53.311 54.883 -1.572 25508 5286 1 12 . 1 1 4 4 MET CB C 4 32.120 32.120 33.201 -1.081 25508 5287 1 12 . 1 1 4 4 MET H H 4 8.427 8.427 8.489 -0.062 25508 5288 1 12 . 1 1 5 5 ILE N N 5 117.850 117.850 117.449 0.401 25508 5289 1 12 . 1 1 5 5 ILE HA H 5 4.623 4.623 4.801 -0.178 25508 5290 1 12 . 1 1 5 5 ILE C C 5 174.207 174.207 173.939 0.268 25508 5291 1 12 . 1 1 5 5 ILE CA C 5 58.353 58.353 59.450 -1.097 25508 5292 1 12 . 1 1 5 5 ILE CB C 5 42.910 42.910 42.177 0.733 25508 5293 1 12 . 1 1 5 5 ILE H H 5 8.860 8.860 8.859 0.001 25508 5294 1 12 . 1 1 6 6 HIS N N 6 120.378 120.378 118.020 2.358 25508 5295 1 12 . 1 1 6 6 HIS HA H 6 4.301 4.301 5.105 -0.804 25508 5296 1 12 . 1 1 6 6 HIS C C 6 173.087 173.087 175.019 -1.932 25508 5297 1 12 . 1 1 6 6 HIS CA C 6 56.131 56.131 53.766 2.365 25508 5298 1 12 . 1 1 6 6 HIS CB C 6 28.508 28.508 28.380 0.128 25508 5299 1 12 . 1 1 6 6 HIS H H 6 8.506 8.506 8.272 0.234 25508 5300 1 12 . 1 1 7 7 CYS N N 7 131.021 131.021 125.328 5.693 25508 5301 1 12 . 1 1 7 7 CYS HA H 7 4.154 4.154 3.973 0.181 25508 5302 1 12 . 1 1 7 7 CYS C C 7 177.621 177.621 175.549 2.072 25508 5303 1 12 . 1 1 7 7 CYS CA C 7 61.346 61.346 59.404 1.942 25508 5304 1 12 . 1 1 7 7 CYS CB C 7 31.004 31.004 27.442 3.562 25508 5305 1 12 . 1 1 7 7 CYS H H 7 7.873 7.873 8.203 -0.330 25508 5306 1 12 . 1 1 8 8 ALA N N 8 133.325 133.325 130.705 2.620 25508 5307 1 12 . 1 1 8 8 ALA HA H 8 4.229 4.229 3.797 0.432 25508 5308 1 12 . 1 1 8 8 ALA C C 8 178.608 178.608 177.099 1.509 25508 5309 1 12 . 1 1 8 8 ALA CA C 8 54.478 54.478 53.662 0.816 25508 5310 1 12 . 1 1 8 8 ALA CB C 8 19.264 19.264 17.517 1.747 25508 5311 1 12 . 1 1 8 8 ALA H H 8 9.543 9.543 7.924 1.619 25508 5312 1 12 . 1 1 9 9 LYS N N 9 122.128 122.128 117.033 5.095 25508 5313 1 12 . 1 1 9 9 LYS CA C 9 56.353 56.353 57.850 -1.497 25508 5314 1 12 . 1 1 9 9 LYS CB C 9 33.619 33.619 33.044 0.575 25508 5315 1 12 . 1 1 9 9 LYS H H 9 9.739 9.739 7.724 2.015 25508 5316 1 12 . 1 1 10 10 LEU HA H 10 4.194 4.194 4.495 -0.301 25508 5317 1 12 . 1 1 10 10 LEU C C 10 178.870 178.870 178.041 0.829 25508 5318 1 12 . 1 1 10 10 LEU CA C 10 55.934 55.934 55.415 0.519 25508 5319 1 12 . 1 1 10 10 LEU CB C 10 42.693 42.693 43.267 -0.574 25508 5320 1 12 . 1 1 11 11 GLY N N 11 107.385 107.385 104.007 3.378 25508 5321 1 12 . 1 1 11 11 GLY C C 11 173.268 173.268 173.984 -0.716 25508 5322 1 12 . 1 1 11 11 GLY CA C 11 46.756 46.756 44.855 1.901 25508 5323 1 12 . 1 1 11 11 GLY H H 11 8.258 8.258 8.169 0.089 25508 5324 1 12 . 1 1 12 12 LYS N N 12 112.456 112.456 119.316 -6.860 25508 5325 1 12 . 1 1 12 12 LYS HA H 12 4.547 4.547 4.645 -0.098 25508 5326 1 12 . 1 1 12 12 LYS C C 12 173.822 173.822 174.639 -0.817 25508 5327 1 12 . 1 1 12 12 LYS CA C 12 53.523 53.523 53.963 -0.440 25508 5328 1 12 . 1 1 12 12 LYS CB C 12 35.156 35.156 34.817 0.339 25508 5329 1 12 . 1 1 12 12 LYS H H 12 6.772 6.772 7.822 -1.050 25508 5330 1 12 . 1 1 13 13 GLU N N 13 121.058 121.058 120.039 1.019 25508 5331 1 12 . 1 1 13 13 GLU HA H 13 4.874 4.874 4.559 0.315 25508 5332 1 12 . 1 1 13 13 GLU C C 13 176.290 176.290 175.680 0.610 25508 5333 1 12 . 1 1 13 13 GLU CA C 13 56.291 56.291 56.137 0.154 25508 5334 1 12 . 1 1 13 13 GLU CB C 13 29.827 29.827 30.307 -0.480 25508 5335 1 12 . 1 1 13 13 GLU H H 13 8.402 8.402 8.544 -0.142 25508 5336 1 12 . 1 1 14 14 ALA N N 14 127.978 127.978 128.498 -0.520 25508 5337 1 12 . 1 1 14 14 ALA HA H 14 4.514 4.514 4.685 -0.171 25508 5338 1 12 . 1 1 14 14 ALA C C 14 175.156 175.156 175.188 -0.032 25508 5339 1 12 . 1 1 14 14 ALA CA C 14 51.437 51.437 50.518 0.919 25508 5340 1 12 . 1 1 14 14 ALA CB C 14 23.586 23.586 22.316 1.270 25508 5341 1 12 . 1 1 14 14 ALA H H 14 9.330 9.330 8.935 0.395 25508 5342 1 12 . 1 1 15 15 GLU N N 15 120.272 120.272 118.711 1.561 25508 5343 1 12 . 1 1 15 15 GLU HA H 15 4.573 4.573 4.600 -0.027 25508 5344 1 12 . 1 1 15 15 GLU C C 15 178.292 178.292 176.553 1.739 25508 5345 1 12 . 1 1 15 15 GLU CA C 15 57.645 57.645 56.040 1.605 25508 5346 1 12 . 1 1 15 15 GLU CB C 15 30.016 30.016 30.515 -0.499 25508 5347 1 12 . 1 1 15 15 GLU H H 15 8.560 8.560 8.562 -0.002 25508 5348 1 12 . 1 1 16 16 GLY N N 16 113.246 113.246 109.641 3.605 25508 5349 1 12 . 1 1 16 16 GLY C C 16 172.877 172.877 174.071 -1.194 25508 5350 1 12 . 1 1 16 16 GLY CA C 16 44.636 44.636 43.775 0.861 25508 5351 1 12 . 1 1 16 16 GLY H H 16 9.236 9.236 8.178 1.058 25508 5352 1 12 . 1 1 17 17 LEU N N 17 120.058 120.058 121.005 -0.947 25508 5353 1 12 . 1 1 17 17 LEU HA H 17 3.960 3.960 4.125 -0.165 25508 5354 1 12 . 1 1 17 17 LEU C C 17 177.457 177.457 176.732 0.725 25508 5355 1 12 . 1 1 17 17 LEU CA C 17 55.375 55.375 56.029 -0.654 25508 5356 1 12 . 1 1 17 17 LEU CB C 17 43.355 43.355 42.726 0.629 25508 5357 1 12 . 1 1 17 17 LEU H H 17 9.482 9.482 7.867 1.615 25508 5358 1 12 . 1 1 18 18 ASP N N 18 118.600 118.600 118.729 -0.129 25508 5359 1 12 . 1 1 18 18 ASP HA H 18 4.531 4.531 4.834 -0.303 25508 5360 1 12 . 1 1 18 18 ASP C C 18 175.929 175.929 174.678 1.251 25508 5361 1 12 . 1 1 18 18 ASP CA C 18 56.544 56.544 54.145 2.399 25508 5362 1 12 . 1 1 18 18 ASP CB C 18 41.655 41.655 41.056 0.599 25508 5363 1 12 . 1 1 18 18 ASP H H 18 8.848 8.848 8.334 0.514 25508 5364 1 12 . 1 1 19 19 PHE N N 19 113.195 113.195 119.722 -6.527 25508 5365 1 12 . 1 1 19 19 PHE CA C 19 55.070 55.070 55.185 -0.115 25508 5366 1 12 . 1 1 19 19 PHE CB C 19 38.588 38.588 41.619 -3.031 25508 5367 1 12 . 1 1 19 19 PHE H H 19 7.108 7.108 7.450 -0.343 25508 5368 1 12 . 1 1 21 21 PRO HA H 21 4.357 4.357 4.515 -0.158 25508 5369 1 12 . 1 1 21 21 PRO C C 21 174.627 174.627 175.719 -1.092 25508 5370 1 12 . 1 1 21 21 PRO CA C 21 63.914 63.914 64.161 -0.247 25508 5371 1 12 . 1 1 21 21 PRO CB C 21 31.431 31.431 32.717 -1.286 25508 5372 1 12 . 1 1 22 22 LEU N N 22 117.643 117.643 119.128 -1.485 25508 5373 1 12 . 1 1 22 22 LEU CA C 22 51.462 51.462 52.010 -0.547 25508 5374 1 12 . 1 1 22 22 LEU CB C 22 46.011 46.011 45.144 0.867 25508 5375 1 12 . 1 1 22 22 LEU H H 22 6.788 6.788 7.316 -0.528 25508 5376 1 12 . 1 1 24 24 GLY N N 24 105.443 105.443 113.607 -8.164 25508 5377 1 12 . 1 1 24 24 GLY C C 24 175.297 175.297 174.413 0.884 25508 5378 1 12 . 1 1 24 24 GLY CA C 24 45.381 45.381 45.467 -0.086 25508 5379 1 12 . 1 1 24 24 GLY H H 24 8.367 8.367 7.548 0.819 25508 5380 1 12 . 1 1 25 25 GLU N N 25 122.031 122.031 120.503 1.528 25508 5381 1 12 . 1 1 25 25 GLU HA H 25 3.887 3.887 4.380 -0.493 25508 5382 1 12 . 1 1 25 25 GLU C C 25 179.015 179.015 178.125 0.890 25508 5383 1 12 . 1 1 25 25 GLU CA C 25 59.283 59.283 57.852 1.431 25508 5384 1 12 . 1 1 25 25 GLU CB C 25 29.176 29.176 29.643 -0.467 25508 5385 1 12 . 1 1 25 25 GLU H H 25 8.737 8.737 8.713 0.024 25508 5386 1 12 . 1 1 26 26 LEU N N 26 120.531 120.531 120.892 -0.361 25508 5387 1 12 . 1 1 26 26 LEU HA H 26 4.104 4.104 4.121 -0.017 25508 5388 1 12 . 1 1 26 26 LEU C C 26 178.836 178.836 178.761 0.075 25508 5389 1 12 . 1 1 26 26 LEU CA C 26 57.981 57.981 57.104 0.877 25508 5390 1 12 . 1 1 26 26 LEU CB C 26 40.939 40.939 41.748 -0.809 25508 5391 1 12 . 1 1 26 26 LEU H H 26 8.852 8.852 7.946 0.906 25508 5392 1 12 . 1 1 27 27 GLY N N 27 102.599 102.599 105.722 -3.123 25508 5393 1 12 . 1 1 27 27 GLY C C 27 175.874 175.874 175.707 0.167 25508 5394 1 12 . 1 1 27 27 GLY CA C 27 48.024 48.024 47.141 0.883 25508 5395 1 12 . 1 1 27 27 GLY H H 27 6.894 6.894 8.352 -1.458 25508 5396 1 12 . 1 1 28 28 LYS N N 28 122.738 122.738 120.952 1.786 25508 5397 1 12 . 1 1 28 28 LYS HA H 28 3.914 3.914 4.425 -0.511 25508 5398 1 12 . 1 1 28 28 LYS C C 28 177.965 177.965 178.352 -0.387 25508 5399 1 12 . 1 1 28 28 LYS CA C 28 59.844 59.844 58.971 0.873 25508 5400 1 12 . 1 1 28 28 LYS CB C 28 32.169 32.169 32.476 -0.307 25508 5401 1 12 . 1 1 28 28 LYS H H 28 7.449 7.449 7.578 -0.129 25508 5402 1 12 . 1 1 29 29 ARG N N 29 119.988 119.988 116.301 3.687 25508 5403 1 12 . 1 1 29 29 ARG HA H 29 3.998 3.998 4.306 -0.308 25508 5404 1 12 . 1 1 29 29 ARG CA C 29 59.876 59.876 57.274 2.602 25508 5405 1 12 . 1 1 29 29 ARG CB C 29 30.829 30.829 30.312 0.517 25508 5406 1 12 . 1 1 29 29 ARG H H 29 8.194 8.194 7.817 0.377 25508 5407 1 12 . 1 1 30 30 LEU N N 30 119.547 119.547 121.492 -1.945 25508 5408 1 12 . 1 1 30 30 LEU HA H 30 3.849 3.849 4.189 -0.340 25508 5409 1 12 . 1 1 30 30 LEU C C 30 177.351 177.351 178.118 -0.767 25508 5410 1 12 . 1 1 30 30 LEU CA C 30 58.068 58.068 58.074 -0.006 25508 5411 1 12 . 1 1 30 30 LEU CB C 30 41.547 41.547 42.470 -0.923 25508 5412 1 12 . 1 1 30 30 LEU H H 30 8.333 8.333 7.953 0.380 25508 5413 1 12 . 1 1 31 31 TYR N N 31 118.033 118.033 117.525 0.508 25508 5414 1 12 . 1 1 31 31 TYR HA H 31 3.895 3.895 4.150 -0.255 25508 5415 1 12 . 1 1 31 31 TYR C C 31 178.434 178.434 176.355 2.079 25508 5416 1 12 . 1 1 31 31 TYR CA C 31 61.391 61.391 60.179 1.212 25508 5417 1 12 . 1 1 31 31 TYR CB C 31 39.083 39.083 37.931 1.152 25508 5418 1 12 . 1 1 31 31 TYR H H 31 8.106 8.106 8.276 -0.170 25508 5419 1 12 . 1 1 32 32 GLU N N 32 117.126 117.126 114.977 2.149 25508 5420 1 12 . 1 1 32 32 GLU HA H 32 3.926 3.926 3.811 0.115 25508 5421 1 12 . 1 1 32 32 GLU C C 32 178.370 178.370 176.053 2.317 25508 5422 1 12 . 1 1 32 32 GLU CA C 32 58.603 58.603 56.073 2.530 25508 5423 1 12 . 1 1 32 32 GLU CB C 32 30.580 30.580 28.764 1.816 25508 5424 1 12 . 1 1 32 32 GLU H H 32 8.260 8.260 7.728 0.532 25508 5425 1 12 . 1 1 33 33 SER N N 33 108.887 108.887 114.591 -5.704 25508 5426 1 12 . 1 1 33 33 SER HA H 33 4.910 4.910 4.400 0.510 25508 5427 1 12 . 1 1 33 33 SER C C 33 171.776 171.776 173.844 -2.068 25508 5428 1 12 . 1 1 33 33 SER CA C 33 60.399 60.399 59.204 1.195 25508 5429 1 12 . 1 1 33 33 SER CB C 33 67.057 67.057 65.364 1.693 25508 5430 1 12 . 1 1 33 33 SER H H 33 7.553 7.553 7.802 -0.249 25508 5431 1 12 . 1 1 34 34 VAL N N 34 120.097 120.097 121.772 -1.675 25508 5432 1 12 . 1 1 34 34 VAL CA C 34 61.287 61.287 61.105 0.182 25508 5433 1 12 . 1 1 34 34 VAL CB C 34 34.048 34.048 33.241 0.807 25508 5434 1 12 . 1 1 34 34 VAL H H 34 8.396 8.396 8.200 0.196 25508 5435 1 12 . 1 1 35 35 SER HA H 35 4.107 4.107 5.018 -0.911 25508 5436 1 12 . 1 1 35 35 SER C C 35 174.321 174.321 175.251 -0.930 25508 5437 1 12 . 1 1 35 35 SER CA C 35 58.771 58.771 56.502 2.269 25508 5438 1 12 . 1 1 35 35 SER CB C 35 66.899 66.899 65.405 1.494 25508 5439 1 12 . 1 1 36 36 LYS N N 36 119.115 119.115 121.902 -2.787 25508 5440 1 12 . 1 1 36 36 LYS HA H 36 4.016 4.016 4.065 -0.049 25508 5441 1 12 . 1 1 36 36 LYS C C 36 179.407 179.407 178.062 1.345 25508 5442 1 12 . 1 1 36 36 LYS CA C 36 60.728 60.728 58.831 1.897 25508 5443 1 12 . 1 1 36 36 LYS CB C 36 32.746 32.746 32.464 0.282 25508 5444 1 12 . 1 1 36 36 LYS H H 36 8.562 8.562 8.648 -0.086 25508 5445 1 12 . 1 1 37 37 GLN N N 37 118.142 118.142 118.078 0.064 25508 5446 1 12 . 1 1 37 37 GLN HA H 37 3.970 3.970 4.305 -0.335 25508 5447 1 12 . 1 1 37 37 GLN C C 37 177.580 177.580 178.024 -0.444 25508 5448 1 12 . 1 1 37 37 GLN CA C 37 59.134 59.134 58.074 1.060 25508 5449 1 12 . 1 1 37 37 GLN CB C 37 28.534 28.534 28.357 0.177 25508 5450 1 12 . 1 1 37 37 GLN H H 37 8.958 8.958 8.096 0.862 25508 5451 1 12 . 1 1 38 38 ALA N N 38 121.173 121.173 123.320 -2.147 25508 5452 1 12 . 1 1 38 38 ALA HA H 38 4.409 4.409 4.154 0.255 25508 5453 1 12 . 1 1 38 38 ALA C C 38 181.081 181.081 179.091 1.990 25508 5454 1 12 . 1 1 38 38 ALA CA C 38 55.065 55.065 54.308 0.757 25508 5455 1 12 . 1 1 38 38 ALA CB C 38 19.574 19.574 17.977 1.597 25508 5456 1 12 . 1 1 38 38 ALA H H 38 8.233 8.233 8.085 0.148 25508 5457 1 12 . 1 1 39 39 TRP N N 39 121.046 121.046 120.612 0.434 25508 5458 1 12 . 1 1 39 39 TRP HA H 39 4.898 4.898 4.287 0.611 25508 5459 1 12 . 1 1 39 39 TRP C C 39 176.886 176.886 177.510 -0.624 25508 5460 1 12 . 1 1 39 39 TRP CA C 39 60.403 60.403 60.347 0.056 25508 5461 1 12 . 1 1 39 39 TRP CB C 39 30.640 30.640 29.573 1.067 25508 5462 1 12 . 1 1 39 39 TRP H H 39 8.891 8.891 8.380 0.511 25508 5463 1 12 . 1 1 40 40 GLN N N 40 117.010 117.010 116.082 0.928 25508 5464 1 12 . 1 1 40 40 GLN HA H 40 3.715 3.715 3.721 -0.006 25508 5465 1 12 . 1 1 40 40 GLN C C 40 179.512 179.512 178.285 1.227 25508 5466 1 12 . 1 1 40 40 GLN CA C 40 59.159 59.159 58.697 0.462 25508 5467 1 12 . 1 1 40 40 GLN CB C 40 27.821 27.821 27.692 0.129 25508 5468 1 12 . 1 1 40 40 GLN H H 40 8.541 8.541 7.714 0.827 25508 5469 1 12 . 1 1 41 41 ASP N N 41 120.036 120.036 120.687 -0.651 25508 5470 1 12 . 1 1 41 41 ASP HA H 41 4.396 4.396 4.423 -0.027 25508 5471 1 12 . 1 1 41 41 ASP C C 41 179.637 179.637 177.809 1.828 25508 5472 1 12 . 1 1 41 41 ASP CA C 41 57.571 57.571 56.483 1.088 25508 5473 1 12 . 1 1 41 41 ASP CB C 41 40.205 40.205 40.704 -0.499 25508 5474 1 12 . 1 1 41 41 ASP H H 41 8.119 8.119 7.537 0.582 25508 5475 1 12 . 1 1 42 42 TRP N N 42 123.295 123.295 121.826 1.469 25508 5476 1 12 . 1 1 42 42 TRP HA H 42 3.992 3.992 4.379 -0.387 25508 5477 1 12 . 1 1 42 42 TRP C C 42 176.559 176.559 177.267 -0.708 25508 5478 1 12 . 1 1 42 42 TRP CA C 42 58.825 58.825 59.121 -0.296 25508 5479 1 12 . 1 1 42 42 TRP CB C 42 30.101 30.101 30.528 -0.427 25508 5480 1 12 . 1 1 42 42 TRP H H 42 8.015 8.015 8.117 -0.102 25508 5481 1 12 . 1 1 43 43 LEU N N 43 118.444 118.444 117.121 1.323 25508 5482 1 12 . 1 1 43 43 LEU HA H 43 3.073 3.073 3.247 -0.174 25508 5483 1 12 . 1 1 43 43 LEU C C 43 180.127 180.127 178.234 1.893 25508 5484 1 12 . 1 1 43 43 LEU CA C 43 57.710 57.710 57.299 0.411 25508 5485 1 12 . 1 1 43 43 LEU CB C 43 40.675 40.675 40.731 -0.056 25508 5486 1 12 . 1 1 43 43 LEU H H 43 8.027 8.027 7.706 0.321 25508 5487 1 12 . 1 1 44 44 LYS N N 44 117.577 117.577 118.927 -1.350 25508 5488 1 12 . 1 1 44 44 LYS HA H 44 3.871 3.871 3.853 0.018 25508 5489 1 12 . 1 1 44 44 LYS C C 44 179.010 179.010 178.762 0.248 25508 5490 1 12 . 1 1 44 44 LYS CA C 44 59.496 59.496 59.026 0.470 25508 5491 1 12 . 1 1 44 44 LYS CB C 44 32.301 32.301 32.073 0.228 25508 5492 1 12 . 1 1 44 44 LYS H H 44 7.065 7.065 7.443 -0.378 25508 5493 1 12 . 1 1 45 45 GLN N N 45 120.755 120.755 118.573 2.182 25508 5494 1 12 . 1 1 45 45 GLN HA H 45 3.834 3.834 3.929 -0.095 25508 5495 1 12 . 1 1 45 45 GLN C C 45 177.807 177.807 178.106 -0.299 25508 5496 1 12 . 1 1 45 45 GLN CA C 45 57.760 57.760 58.636 -0.876 25508 5497 1 12 . 1 1 45 45 GLN CB C 45 27.623 27.623 27.906 -0.283 25508 5498 1 12 . 1 1 45 45 GLN H H 45 7.033 7.033 7.556 -0.523 25508 5499 1 12 . 1 1 46 46 GLN N N 46 120.768 120.768 118.362 2.406 25508 5500 1 12 . 1 1 46 46 GLN HA H 46 3.065 3.065 3.793 -0.728 25508 5501 1 12 . 1 1 46 46 GLN C C 46 177.167 177.167 178.098 -0.931 25508 5502 1 12 . 1 1 46 46 GLN CA C 46 59.136 59.136 59.166 -0.030 25508 5503 1 12 . 1 1 46 46 GLN CB C 46 28.416 28.416 27.972 0.444 25508 5504 1 12 . 1 1 46 46 GLN H H 46 8.346 8.346 7.632 0.714 25508 5505 1 12 . 1 1 47 47 THR N N 47 114.925 114.925 115.576 -0.651 25508 5506 1 12 . 1 1 47 47 THR HA H 47 3.690 3.690 4.175 -0.485 25508 5507 1 12 . 1 1 47 47 THR C C 47 175.615 175.615 176.169 -0.554 25508 5508 1 12 . 1 1 47 47 THR CA C 47 66.804 66.804 64.967 1.837 25508 5509 1 12 . 1 1 47 47 THR CB C 47 68.895 68.895 68.495 0.400 25508 5510 1 12 . 1 1 47 47 THR H H 47 7.629 7.629 7.469 0.160 25508 5511 1 12 . 1 1 48 48 MET N N 48 120.050 120.050 121.693 -1.643 25508 5512 1 12 . 1 1 48 48 MET HA H 48 4.117 4.117 3.955 0.162 25508 5513 1 12 . 1 1 48 48 MET C C 48 177.928 177.928 178.039 -0.111 25508 5514 1 12 . 1 1 48 48 MET CA C 48 59.041 59.041 59.993 -0.952 25508 5515 1 12 . 1 1 48 48 MET CB C 48 31.985 31.985 32.237 -0.252 25508 5516 1 12 . 1 1 48 48 MET H H 48 7.077 7.077 7.728 -0.651 25508 5517 1 12 . 1 1 49 49 LEU N N 49 120.156 120.156 118.920 1.236 25508 5518 1 12 . 1 1 49 49 LEU HA H 49 3.991 3.991 4.162 -0.171 25508 5519 1 12 . 1 1 49 49 LEU C C 49 180.284 180.284 179.124 1.160 25508 5520 1 12 . 1 1 49 49 LEU CA C 49 58.157 58.157 57.666 0.491 25508 5521 1 12 . 1 1 49 49 LEU CB C 49 42.723 42.723 40.935 1.788 25508 5522 1 12 . 1 1 49 49 LEU H H 49 7.982 7.982 8.569 -0.587 25508 5523 1 12 . 1 1 50 50 ILE N N 50 119.987 119.987 119.600 0.387 25508 5524 1 12 . 1 1 50 50 ILE HA H 50 3.487 3.487 3.536 -0.049 25508 5525 1 12 . 1 1 50 50 ILE C C 50 178.074 178.074 177.595 0.479 25508 5526 1 12 . 1 1 50 50 ILE CA C 50 65.734 65.734 65.386 0.348 25508 5527 1 12 . 1 1 50 50 ILE CB C 50 38.622 38.622 37.579 1.043 25508 5528 1 12 . 1 1 50 50 ILE H H 50 8.275 8.275 7.487 0.788 25508 5529 1 12 . 1 1 51 51 ASN N N 51 117.331 117.331 116.416 0.915 25508 5530 1 12 . 1 1 51 51 ASN HA H 51 4.493 4.493 4.498 -0.005 25508 5531 1 12 . 1 1 51 51 ASN C C 51 178.621 178.621 176.618 2.003 25508 5532 1 12 . 1 1 51 51 ASN CA C 51 55.787 55.787 55.677 0.110 25508 5533 1 12 . 1 1 51 51 ASN CB C 51 38.273 38.273 39.247 -0.974 25508 5534 1 12 . 1 1 51 51 ASN H H 51 7.902 7.902 7.984 -0.082 25508 5535 1 12 . 1 1 52 52 GLU N N 52 120.128 120.128 118.965 1.163 25508 5536 1 12 . 1 1 52 52 GLU HA H 52 4.006 4.006 4.216 -0.210 25508 5537 1 12 . 1 1 52 52 GLU C C 52 177.628 177.628 177.795 -0.167 25508 5538 1 12 . 1 1 52 52 GLU CA C 52 59.034 59.034 57.918 1.116 25508 5539 1 12 . 1 1 52 52 GLU CB C 52 29.714 29.714 29.843 -0.129 25508 5540 1 12 . 1 1 52 52 GLU H H 52 8.958 8.958 8.051 0.907 25508 5541 1 12 . 1 1 53 53 ASN N N 53 112.872 112.872 113.587 -0.715 25508 5542 1 12 . 1 1 53 53 ASN HA H 53 4.666 4.666 4.764 -0.098 25508 5543 1 12 . 1 1 53 53 ASN C C 53 173.022 173.022 174.480 -1.458 25508 5544 1 12 . 1 1 53 53 ASN CA C 53 53.416 53.416 53.335 0.081 25508 5545 1 12 . 1 1 53 53 ASN CB C 53 38.938 38.938 40.655 -1.717 25508 5546 1 12 . 1 1 53 53 ASN H H 53 7.535 7.535 8.109 -0.574 25508 5547 1 12 . 1 1 54 54 ARG N N 54 118.579 118.579 116.683 1.896 25508 5548 1 12 . 1 1 54 54 ARG HA H 54 3.975 3.975 4.044 -0.069 25508 5549 1 12 . 1 1 54 54 ARG C C 54 176.170 176.170 175.439 0.731 25508 5550 1 12 . 1 1 54 54 ARG CA C 54 56.615 56.615 56.706 -0.091 25508 5551 1 12 . 1 1 54 54 ARG CB C 54 27.180 27.180 26.873 0.307 25508 5552 1 12 . 1 1 54 54 ARG H H 54 7.696 7.696 7.684 0.012 25508 5553 1 12 . 1 1 55 55 LEU N N 55 116.705 116.705 118.905 -2.200 25508 5554 1 12 . 1 1 55 55 LEU HA H 55 4.097 4.097 4.213 -0.116 25508 5555 1 12 . 1 1 55 55 LEU C C 55 176.242 176.242 177.284 -1.042 25508 5556 1 12 . 1 1 55 55 LEU CA C 55 55.099 55.099 54.409 0.690 25508 5557 1 12 . 1 1 55 55 LEU CB C 55 42.694 42.694 42.545 0.149 25508 5558 1 12 . 1 1 55 55 LEU H H 55 7.927 7.927 7.517 0.410 25508 5559 1 12 . 1 1 56 56 ASN N N 56 120.616 120.616 118.364 2.252 25508 5560 1 12 . 1 1 56 56 ASN HA H 56 4.708 4.708 4.893 -0.185 25508 5561 1 12 . 1 1 56 56 ASN C C 56 176.058 176.058 175.785 0.273 25508 5562 1 12 . 1 1 56 56 ASN CA C 56 51.440 51.440 52.150 -0.710 25508 5563 1 12 . 1 1 56 56 ASN CB C 56 38.554 38.554 38.763 -0.208 25508 5564 1 12 . 1 1 56 56 ASN H H 56 8.530 8.530 8.509 0.021 25508 5565 1 12 . 1 1 57 57 MET N N 57 121.659 121.659 123.420 -1.761 25508 5566 1 12 . 1 1 57 57 MET HA H 57 4.341 4.341 4.077 0.264 25508 5567 1 12 . 1 1 57 57 MET C C 57 176.694 176.694 177.181 -0.487 25508 5568 1 12 . 1 1 57 57 MET CA C 57 55.717 55.717 58.662 -2.945 25508 5569 1 12 . 1 1 57 57 MET CB C 57 30.266 30.266 32.513 -2.247 25508 5570 1 12 . 1 1 57 57 MET H H 57 8.628 8.628 8.223 0.405 25508 5571 1 12 . 1 1 58 58 ALA N N 58 120.515 120.515 120.007 0.508 25508 5572 1 12 . 1 1 58 58 ALA HA H 58 4.267 4.267 4.156 0.111 25508 5573 1 12 . 1 1 58 58 ALA C C 58 177.625 177.625 177.879 -0.254 25508 5574 1 12 . 1 1 58 58 ALA CA C 58 52.643 52.643 53.553 -0.910 25508 5575 1 12 . 1 1 58 58 ALA CB C 58 18.667 18.667 18.747 -0.080 25508 5576 1 12 . 1 1 58 58 ALA H H 58 7.988 7.988 7.993 -0.005 25508 5577 1 12 . 1 1 59 59 ASP N N 59 121.926 121.926 116.827 5.099 25508 5578 1 12 . 1 1 59 59 ASP CA C 59 50.871 50.871 51.463 -0.592 25508 5579 1 12 . 1 1 59 59 ASP CB C 59 42.450 42.450 41.267 1.183 25508 5580 1 12 . 1 1 59 59 ASP H H 59 8.024 8.024 7.643 0.381 25508 5581 1 12 . 1 1 60 60 PRO HA H 60 4.186 4.186 4.377 -0.191 25508 5582 1 12 . 1 1 60 60 PRO C C 60 179.232 179.232 177.971 1.261 25508 5583 1 12 . 1 1 60 60 PRO CA C 60 65.347 65.347 64.321 1.026 25508 5584 1 12 . 1 1 60 60 PRO CB C 60 32.399 32.399 32.329 0.070 25508 5585 1 12 . 1 1 61 61 ARG N N 61 117.390 117.390 118.705 -1.315 25508 5586 1 12 . 1 1 61 61 ARG HA H 61 4.107 4.107 4.118 -0.011 25508 5587 1 12 . 1 1 61 61 ARG C C 61 179.817 179.817 178.382 1.435 25508 5588 1 12 . 1 1 61 61 ARG CA C 61 59.098 59.098 58.733 0.366 25508 5589 1 12 . 1 1 61 61 ARG CB C 61 29.670 29.670 29.011 0.659 25508 5590 1 12 . 1 1 61 61 ARG H H 61 8.597 8.597 8.551 0.046 25508 5591 1 12 . 1 1 62 62 ALA N N 62 124.172 124.172 120.235 3.937 25508 5592 1 12 . 1 1 62 62 ALA HA H 62 4.201 4.201 4.310 -0.109 25508 5593 1 12 . 1 1 62 62 ALA C C 62 179.726 179.726 179.665 0.061 25508 5594 1 12 . 1 1 62 62 ALA CA C 62 55.011 55.011 54.459 0.552 25508 5595 1 12 . 1 1 62 62 ALA CB C 62 19.251 19.251 18.616 0.635 25508 5596 1 12 . 1 1 62 62 ALA H H 62 7.597 7.597 7.648 -0.051 25508 5597 1 12 . 1 1 63 63 ARG N N 63 116.483 116.483 117.802 -1.319 25508 5598 1 12 . 1 1 63 63 ARG HA H 63 3.985 3.985 4.300 -0.315 25508 5599 1 12 . 1 1 63 63 ARG C C 63 179.234 179.234 178.533 0.701 25508 5600 1 12 . 1 1 63 63 ARG CA C 63 60.029 60.029 58.928 1.101 25508 5601 1 12 . 1 1 63 63 ARG CB C 63 29.806 29.806 30.342 -0.536 25508 5602 1 12 . 1 1 63 63 ARG H H 63 7.640 7.640 8.162 -0.522 25508 5603 1 12 . 1 1 64 64 GLN N N 64 119.143 119.143 119.275 -0.132 25508 5604 1 12 . 1 1 64 64 GLN HA H 64 4.095 4.095 4.214 -0.119 25508 5605 1 12 . 1 1 64 64 GLN C C 64 178.261 178.261 177.110 1.151 25508 5606 1 12 . 1 1 64 64 GLN CA C 64 59.183 59.183 58.428 0.755 25508 5607 1 12 . 1 1 64 64 GLN CB C 64 28.266 28.266 29.211 -0.945 25508 5608 1 12 . 1 1 64 64 GLN H H 64 8.114 8.114 8.429 -0.315 25508 5609 1 12 . 1 1 65 65 TYR N N 65 121.413 121.413 118.803 2.610 25508 5610 1 12 . 1 1 65 65 TYR HA H 65 4.321 4.321 4.461 -0.140 25508 5611 1 12 . 1 1 65 65 TYR C C 65 180.478 180.478 176.195 4.283 25508 5612 1 12 . 1 1 65 65 TYR CA C 65 61.407 61.407 60.552 0.855 25508 5613 1 12 . 1 1 65 65 TYR CB C 65 37.831 37.831 39.240 -1.409 25508 5614 1 12 . 1 1 65 65 TYR H H 65 7.929 7.929 7.677 0.252 25508 5615 1 12 . 1 1 66 66 LEU N N 66 119.499 119.499 119.110 0.389 25508 5616 1 12 . 1 1 66 66 LEU HA H 66 3.870 3.870 4.109 -0.239 25508 5617 1 12 . 1 1 66 66 LEU C C 66 180.847 180.847 179.100 1.747 25508 5618 1 12 . 1 1 66 66 LEU CA C 66 57.959 57.959 57.172 0.787 25508 5619 1 12 . 1 1 66 66 LEU CB C 66 41.522 41.522 42.597 -1.075 25508 5620 1 12 . 1 1 66 66 LEU H H 66 8.328 8.328 7.778 0.550 25508 5621 1 12 . 1 1 67 67 MET N N 67 122.316 122.316 116.871 5.445 25508 5622 1 12 . 1 1 67 67 MET HA H 67 4.100 4.100 4.240 -0.140 25508 5623 1 12 . 1 1 67 67 MET C C 67 178.402 178.402 177.427 0.975 25508 5624 1 12 . 1 1 67 67 MET CA C 67 59.693 59.693 59.140 0.553 25508 5625 1 12 . 1 1 67 67 MET CB C 67 32.202 32.202 32.240 -0.038 25508 5626 1 12 . 1 1 67 67 MET H H 67 8.480 8.480 7.670 0.810 25508 5627 1 12 . 1 1 68 68 LYS N N 68 120.460 120.460 117.620 2.840 25508 5628 1 12 . 1 1 68 68 LYS HA H 68 4.160 4.160 4.165 -0.005 25508 5629 1 12 . 1 1 68 68 LYS C C 68 179.963 179.963 178.710 1.253 25508 5630 1 12 . 1 1 68 68 LYS CA C 68 58.857 58.857 58.433 0.424 25508 5631 1 12 . 1 1 68 68 LYS CB C 68 31.276 31.276 31.247 0.029 25508 5632 1 12 . 1 1 68 68 LYS H H 68 8.024 8.024 7.982 0.042 25508 5633 1 12 . 1 1 69 69 GLN N N 69 117.834 117.834 118.905 -1.071 25508 5634 1 12 . 1 1 69 69 GLN HA H 69 3.858 3.858 4.304 -0.446 25508 5635 1 12 . 1 1 69 69 GLN C C 69 178.013 178.013 177.309 0.704 25508 5636 1 12 . 1 1 69 69 GLN CA C 69 58.097 58.097 58.123 -0.026 25508 5637 1 12 . 1 1 69 69 GLN CB C 69 27.601 27.601 28.761 -1.160 25508 5638 1 12 . 1 1 69 69 GLN H H 69 8.281 8.281 8.073 0.208 25508 5639 1 12 . 1 1 70 70 THR N N 70 119.066 119.066 115.038 4.028 25508 5640 1 12 . 1 1 70 70 THR HA H 70 2.666 2.666 4.108 -1.442 25508 5641 1 12 . 1 1 70 70 THR C C 70 175.189 175.189 175.399 -0.210 25508 5642 1 12 . 1 1 70 70 THR CA C 70 66.732 66.732 65.851 0.881 25508 5643 1 12 . 1 1 70 70 THR CB C 70 68.451 68.451 68.504 -0.053 25508 5644 1 12 . 1 1 70 70 THR H H 70 8.245 8.245 7.728 0.517 25508 5645 1 12 . 1 1 71 71 GLU N N 71 121.112 121.112 121.950 -0.838 25508 5646 1 12 . 1 1 71 71 GLU HA H 71 3.873 3.873 4.102 -0.229 25508 5647 1 12 . 1 1 71 71 GLU C C 71 177.903 177.903 178.242 -0.339 25508 5648 1 12 . 1 1 71 71 GLU CA C 71 60.325 60.325 59.344 0.981 25508 5649 1 12 . 1 1 71 71 GLU CB C 71 30.065 30.065 29.773 0.292 25508 5650 1 12 . 1 1 71 71 GLU H H 71 7.872 7.872 8.119 -0.247 25508 5651 1 12 . 1 1 72 72 LYS N N 72 118.112 118.112 118.128 -0.016 25508 5652 1 12 . 1 1 72 72 LYS HA H 72 3.853 3.853 4.277 -0.424 25508 5653 1 12 . 1 1 72 72 LYS C C 72 178.447 178.447 178.900 -0.453 25508 5654 1 12 . 1 1 72 72 LYS CA C 72 59.199 59.199 58.630 0.569 25508 5655 1 12 . 1 1 72 72 LYS CB C 72 32.705 32.705 31.727 0.978 25508 5656 1 12 . 1 1 72 72 LYS H H 72 7.932 7.932 7.593 0.339 25508 5657 1 12 . 1 1 73 73 TYR N N 73 119.703 119.703 119.597 0.106 25508 5658 1 12 . 1 1 73 73 TYR HA H 73 3.704 3.704 4.211 -0.507 25508 5659 1 12 . 1 1 73 73 TYR C C 73 176.953 176.953 176.638 0.315 25508 5660 1 12 . 1 1 73 73 TYR CA C 73 61.540 61.540 61.307 0.233 25508 5661 1 12 . 1 1 73 73 TYR CB C 73 38.266 38.266 38.318 -0.052 25508 5662 1 12 . 1 1 73 73 TYR H H 73 7.800 7.800 7.625 0.175 25508 5663 1 12 . 1 1 74 74 PHE N N 74 111.749 111.749 117.493 -5.744 25508 5664 1 12 . 1 1 74 74 PHE HA H 74 3.886 3.886 3.978 -0.092 25508 5665 1 12 . 1 1 74 74 PHE C C 74 176.300 176.300 177.161 -0.861 25508 5666 1 12 . 1 1 74 74 PHE CA C 74 61.784 61.784 59.129 2.655 25508 5667 1 12 . 1 1 74 74 PHE CB C 74 39.690 39.690 39.739 -0.049 25508 5668 1 12 . 1 1 74 74 PHE H H 74 7.139 7.139 7.625 -0.486 25508 5669 1 12 . 1 1 75 75 PHE N N 75 114.845 114.845 116.914 -2.069 25508 5670 1 12 . 1 1 75 75 PHE HA H 75 5.009 5.009 4.092 0.917 25508 5671 1 12 . 1 1 75 75 PHE C C 75 176.448 176.448 177.223 -0.775 25508 5672 1 12 . 1 1 75 75 PHE CA C 75 56.575 56.575 57.505 -0.930 25508 5673 1 12 . 1 1 75 75 PHE CB C 75 40.353 40.353 38.299 2.054 25508 5674 1 12 . 1 1 75 75 PHE H H 75 8.275 8.275 7.324 0.951 25508 5675 1 12 . 1 1 76 76 GLY N N 76 109.977 109.977 107.769 2.208 25508 5676 1 12 . 1 1 76 76 GLY C C 76 173.602 173.602 176.002 -2.400 25508 5677 1 12 . 1 1 76 76 GLY CA C 76 45.375 45.375 46.958 -1.583 25508 5678 1 12 . 1 1 76 76 GLY H H 76 7.836 7.836 8.421 -0.585 25508 5679 1 12 . 1 1 77 77 GLU N N 77 120.068 120.068 123.787 -3.719 25508 5680 1 12 . 1 1 77 77 GLU HA H 77 4.259 4.259 4.428 -0.169 25508 5681 1 12 . 1 1 77 77 GLU C C 77 176.925 176.925 176.894 0.031 25508 5682 1 12 . 1 1 77 77 GLU CA C 77 56.647 56.647 55.392 1.255 25508 5683 1 12 . 1 1 77 77 GLU CB C 77 30.694 30.694 31.099 -0.405 25508 5684 1 12 . 1 1 77 77 GLU H H 77 8.445 8.445 8.266 0.179 25508 5685 1 12 . 1 1 78 78 GLY N N 78 110.135 110.135 111.416 -1.281 25508 5686 1 12 . 1 1 78 78 GLY C C 78 174.241 174.241 174.710 -0.469 25508 5687 1 12 . 1 1 78 78 GLY CA C 78 45.368 45.368 45.453 -0.085 25508 5688 1 12 . 1 1 78 78 GLY H H 78 8.457 8.457 7.864 0.593 25508 5689 1 12 . 1 1 79 79 ALA N N 79 123.773 123.773 123.648 0.125 25508 5690 1 12 . 1 1 79 79 ALA HA H 79 4.208 4.208 4.121 0.087 25508 5691 1 12 . 1 1 79 79 ALA C C 79 177.657 177.657 176.958 0.699 25508 5692 1 12 . 1 1 79 79 ALA CA C 79 52.782 52.782 52.604 0.178 25508 5693 1 12 . 1 1 79 79 ALA CB C 79 19.145 19.145 19.176 -0.031 25508 5694 1 12 . 1 1 79 79 ALA H H 79 8.195 8.195 8.138 0.057 25508 5695 1 12 . 1 1 80 80 ASP N N 80 118.833 118.833 120.955 -2.122 25508 5696 1 12 . 1 1 80 80 ASP HA H 80 4.473 4.473 4.587 -0.114 25508 5697 1 12 . 1 1 80 80 ASP C C 80 176.374 176.374 175.012 1.362 25508 5698 1 12 . 1 1 80 80 ASP CA C 80 54.383 54.383 53.416 0.967 25508 5699 1 12 . 1 1 80 80 ASP CB C 80 40.940 40.940 42.276 -1.336 25508 5700 1 12 . 1 1 80 80 ASP H H 80 8.347 8.347 8.352 -0.005 25508 5701 1 12 . 1 1 81 81 GLN N N 81 120.376 120.376 122.317 -1.941 25508 5702 1 12 . 1 1 81 81 GLN HA H 81 4.225 4.225 4.209 0.016 25508 5703 1 12 . 1 1 81 81 GLN C C 81 176.029 176.029 174.093 1.936 25508 5704 1 12 . 1 1 81 81 GLN CA C 81 55.969 55.969 55.983 -0.014 25508 5705 1 12 . 1 1 81 81 GLN CB C 81 29.242 29.242 29.319 -0.077 25508 5706 1 12 . 1 1 81 81 GLN H H 81 8.188 8.188 8.412 -0.224 25508 5707 1 12 . 1 1 82 82 ALA N N 82 124.734 124.734 124.700 0.034 25508 5708 1 12 . 1 1 82 82 ALA HA H 82 4.271 4.271 4.560 -0.289 25508 5709 1 12 . 1 1 82 82 ALA C C 82 178.011 178.011 176.323 1.688 25508 5710 1 12 . 1 1 82 82 ALA CA C 82 52.680 52.680 52.053 0.627 25508 5711 1 12 . 1 1 82 82 ALA CB C 82 19.023 19.023 19.577 -0.554 25508 5712 1 12 . 1 1 82 82 ALA H H 82 8.307 8.307 8.476 -0.169 25508 5713 1 12 . 1 1 83 83 SER N N 83 114.999 114.999 116.440 -1.441 25508 5714 1 12 . 1 1 83 83 SER HA H 83 4.368 4.368 4.693 -0.325 25508 5715 1 12 . 1 1 83 83 SER C C 83 175.141 175.141 173.186 1.955 25508 5716 1 12 . 1 1 83 83 SER CA C 83 58.843 58.843 58.300 0.543 25508 5717 1 12 . 1 1 83 83 SER CB C 83 63.849 63.849 64.388 -0.539 25508 5718 1 12 . 1 1 83 83 SER H H 83 8.269 8.269 8.429 -0.160 25508 5719 1 12 . 1 1 84 84 GLY N N 84 110.722 110.722 111.026 -0.304 25508 5720 1 12 . 1 1 84 84 GLY C C 84 173.457 173.457 172.434 1.023 25508 5721 1 12 . 1 1 84 84 GLY CA C 84 45.168 45.168 44.394 0.774 25508 5722 1 12 . 1 1 84 84 GLY H H 84 8.324 8.324 8.432 -0.108 25508 5723 1 12 . 1 1 85 85 TYR N N 85 121.054 121.054 122.453 -1.399 25508 5724 1 12 . 1 1 85 85 TYR HA H 85 4.395 4.395 5.333 -0.938 25508 5725 1 12 . 1 1 85 85 TYR C C 85 174.866 174.866 176.394 -1.528 25508 5726 1 12 . 1 1 85 85 TYR CA C 85 58.433 58.433 57.275 1.158 25508 5727 1 12 . 1 1 85 85 TYR CB C 85 38.856 38.856 40.490 -1.634 25508 5728 1 12 . 1 1 85 85 TYR H H 85 7.982 7.982 8.732 -0.750 25508 5729 1 12 . 1 1 86 86 VAL N N 86 127.973 127.973 120.091 7.882 25508 5730 1 12 . 1 1 86 86 VAL CA C 86 58.815 58.815 60.037 -1.222 25508 5731 1 12 . 1 1 86 86 VAL CB C 86 33.360 33.360 32.398 0.962 25508 5732 1 12 . 1 1 86 86 VAL H H 86 7.734 7.734 8.514 -0.780 25508 5733 1 12 . 1 1 88 88 PRO HA H 88 4.320 4.320 4.475 -0.155 25508 5734 1 12 . 1 1 88 88 PRO C C 88 176.654 176.654 175.404 1.250 25508 5735 1 12 . 1 1 88 88 PRO CA C 88 62.735 62.735 62.785 -0.050 25508 5736 1 12 . 1 1 88 88 PRO CB C 88 32.007 32.007 32.202 -0.195 25508 5737 1 12 . 1 1 89 89 ALA N N 89 124.497 124.497 121.335 3.162 25508 5738 1 12 . 1 1 89 89 ALA HA H 89 4.213 4.213 4.929 -0.716 25508 5739 1 12 . 1 1 89 89 ALA C C 89 177.739 177.739 175.966 1.773 25508 5740 1 12 . 1 1 89 89 ALA CA C 89 52.564 52.564 51.724 0.840 25508 5741 1 12 . 1 1 89 89 ALA CB C 89 19.103 19.103 21.325 -2.222 25508 5742 1 12 . 1 1 89 89 ALA H H 89 8.332 8.332 8.774 -0.442 25508 5743 1 12 . 1 1 90 90 GLN N N 90 119.712 119.712 120.270 -0.558 25508 5744 1 12 . 1 1 90 90 GLN HA H 90 4.301 4.301 5.022 -0.721 25508 5745 1 12 . 1 1 90 90 GLN C C 90 175.302 175.302 175.499 -0.197 25508 5746 1 12 . 1 1 90 90 GLN CA C 90 55.717 55.717 55.164 0.553 25508 5747 1 12 . 1 1 90 90 GLN CB C 90 29.764 29.764 30.420 -0.656 25508 5748 1 12 . 1 1 90 90 GLN H H 90 8.338 8.338 9.325 -0.987 25508 5749 1 13 . 1 1 2 2 ALA N N 2 125.581 125.581 126.330 -0.749 25508 5750 1 13 . 1 1 2 2 ALA HA H 2 4.204 4.204 4.445 -0.241 25508 5751 1 13 . 1 1 2 2 ALA C C 2 176.764 176.764 177.428 -0.664 25508 5752 1 13 . 1 1 2 2 ALA CA C 2 52.280 52.280 53.078 -0.798 25508 5753 1 13 . 1 1 2 2 ALA CB C 2 19.494 19.494 19.176 0.318 25508 5754 1 13 . 1 1 2 2 ALA H H 2 8.203 8.203 8.440 -0.237 25508 5755 1 13 . 1 1 3 3 ARG N N 3 123.058 123.058 116.345 6.713 25508 5756 1 13 . 1 1 3 3 ARG HA H 3 4.247 4.247 4.563 -0.316 25508 5757 1 13 . 1 1 3 3 ARG C C 3 174.914 174.914 174.063 0.851 25508 5758 1 13 . 1 1 3 3 ARG CA C 3 55.678 55.678 55.405 0.273 25508 5759 1 13 . 1 1 3 3 ARG CB C 3 31.276 31.276 33.359 -2.083 25508 5760 1 13 . 1 1 3 3 ARG H H 3 8.649 8.649 7.800 0.849 25508 5761 1 13 . 1 1 4 4 MET N N 4 125.010 125.010 118.877 6.133 25508 5762 1 13 . 1 1 4 4 MET HA H 4 4.966 4.966 4.751 0.215 25508 5763 1 13 . 1 1 4 4 MET C C 4 176.144 176.144 174.719 1.425 25508 5764 1 13 . 1 1 4 4 MET CA C 4 53.311 53.311 55.033 -1.722 25508 5765 1 13 . 1 1 4 4 MET CB C 4 32.120 32.120 33.439 -1.319 25508 5766 1 13 . 1 1 4 4 MET H H 4 8.427 8.427 8.450 -0.023 25508 5767 1 13 . 1 1 5 5 ILE N N 5 117.850 117.850 116.751 1.099 25508 5768 1 13 . 1 1 5 5 ILE HA H 5 4.623 4.623 4.625 -0.002 25508 5769 1 13 . 1 1 5 5 ILE C C 5 174.207 174.207 173.746 0.461 25508 5770 1 13 . 1 1 5 5 ILE CA C 5 58.353 58.353 59.167 -0.814 25508 5771 1 13 . 1 1 5 5 ILE CB C 5 42.910 42.910 41.750 1.160 25508 5772 1 13 . 1 1 5 5 ILE H H 5 8.860 8.860 8.597 0.263 25508 5773 1 13 . 1 1 6 6 HIS N N 6 120.378 120.378 118.060 2.318 25508 5774 1 13 . 1 1 6 6 HIS HA H 6 4.301 4.301 5.051 -0.750 25508 5775 1 13 . 1 1 6 6 HIS C C 6 173.087 173.087 175.012 -1.925 25508 5776 1 13 . 1 1 6 6 HIS CA C 6 56.131 56.131 53.613 2.518 25508 5777 1 13 . 1 1 6 6 HIS CB C 6 28.508 28.508 28.032 0.476 25508 5778 1 13 . 1 1 6 6 HIS H H 6 8.506 8.506 8.087 0.419 25508 5779 1 13 . 1 1 7 7 CYS N N 7 131.021 131.021 124.997 6.024 25508 5780 1 13 . 1 1 7 7 CYS HA H 7 4.154 4.154 3.951 0.203 25508 5781 1 13 . 1 1 7 7 CYS C C 7 177.621 177.621 175.708 1.913 25508 5782 1 13 . 1 1 7 7 CYS CA C 7 61.346 61.346 60.571 0.775 25508 5783 1 13 . 1 1 7 7 CYS CB C 7 31.004 31.004 28.927 2.077 25508 5784 1 13 . 1 1 7 7 CYS H H 7 7.873 7.873 8.160 -0.287 25508 5785 1 13 . 1 1 8 8 ALA N N 8 133.325 133.325 130.838 2.487 25508 5786 1 13 . 1 1 8 8 ALA HA H 8 4.229 4.229 3.986 0.243 25508 5787 1 13 . 1 1 8 8 ALA C C 8 178.608 178.608 177.046 1.562 25508 5788 1 13 . 1 1 8 8 ALA CA C 8 54.478 54.478 53.221 1.257 25508 5789 1 13 . 1 1 8 8 ALA CB C 8 19.264 19.264 17.837 1.427 25508 5790 1 13 . 1 1 8 8 ALA H H 8 9.543 9.543 8.076 1.467 25508 5791 1 13 . 1 1 9 9 LYS N N 9 122.128 122.128 117.381 4.747 25508 5792 1 13 . 1 1 9 9 LYS CA C 9 56.353 56.353 57.523 -1.169 25508 5793 1 13 . 1 1 9 9 LYS CB C 9 33.619 33.619 33.050 0.569 25508 5794 1 13 . 1 1 9 9 LYS H H 9 9.739 9.739 7.717 2.022 25508 5795 1 13 . 1 1 10 10 LEU HA H 10 4.194 4.194 4.491 -0.297 25508 5796 1 13 . 1 1 10 10 LEU C C 10 178.870 178.870 177.554 1.316 25508 5797 1 13 . 1 1 10 10 LEU CA C 10 55.934 55.934 54.970 0.964 25508 5798 1 13 . 1 1 10 10 LEU CB C 10 42.693 42.693 43.363 -0.670 25508 5799 1 13 . 1 1 11 11 GLY N N 11 107.385 107.385 105.404 1.981 25508 5800 1 13 . 1 1 11 11 GLY C C 11 173.268 173.268 174.252 -0.984 25508 5801 1 13 . 1 1 11 11 GLY CA C 11 46.756 46.756 44.894 1.862 25508 5802 1 13 . 1 1 11 11 GLY H H 11 8.258 8.258 8.000 0.258 25508 5803 1 13 . 1 1 12 12 LYS N N 12 112.456 112.456 119.248 -6.792 25508 5804 1 13 . 1 1 12 12 LYS HA H 12 4.547 4.547 4.661 -0.114 25508 5805 1 13 . 1 1 12 12 LYS C C 12 173.822 173.822 174.778 -0.956 25508 5806 1 13 . 1 1 12 12 LYS CA C 12 53.523 53.523 53.919 -0.396 25508 5807 1 13 . 1 1 12 12 LYS CB C 12 35.156 35.156 34.351 0.805 25508 5808 1 13 . 1 1 12 12 LYS H H 12 6.772 6.772 7.800 -1.028 25508 5809 1 13 . 1 1 13 13 GLU N N 13 121.058 121.058 119.955 1.103 25508 5810 1 13 . 1 1 13 13 GLU HA H 13 4.874 4.874 4.641 0.233 25508 5811 1 13 . 1 1 13 13 GLU C C 13 176.290 176.290 175.767 0.523 25508 5812 1 13 . 1 1 13 13 GLU CA C 13 56.291 56.291 55.665 0.626 25508 5813 1 13 . 1 1 13 13 GLU CB C 13 29.827 29.827 29.921 -0.094 25508 5814 1 13 . 1 1 13 13 GLU H H 13 8.402 8.402 8.449 -0.047 25508 5815 1 13 . 1 1 14 14 ALA N N 14 127.978 127.978 128.612 -0.634 25508 5816 1 13 . 1 1 14 14 ALA HA H 14 4.514 4.514 4.685 -0.171 25508 5817 1 13 . 1 1 14 14 ALA C C 14 175.156 175.156 175.351 -0.195 25508 5818 1 13 . 1 1 14 14 ALA CA C 14 51.437 51.437 50.527 0.910 25508 5819 1 13 . 1 1 14 14 ALA CB C 14 23.586 23.586 22.067 1.520 25508 5820 1 13 . 1 1 14 14 ALA H H 14 9.330 9.330 8.775 0.555 25508 5821 1 13 . 1 1 15 15 GLU N N 15 120.272 120.272 119.287 0.985 25508 5822 1 13 . 1 1 15 15 GLU HA H 15 4.573 4.573 4.442 0.131 25508 5823 1 13 . 1 1 15 15 GLU C C 15 178.292 178.292 176.882 1.410 25508 5824 1 13 . 1 1 15 15 GLU CA C 15 57.645 57.645 56.264 1.381 25508 5825 1 13 . 1 1 15 15 GLU CB C 15 30.016 30.016 30.076 -0.059 25508 5826 1 13 . 1 1 15 15 GLU H H 15 8.560 8.560 8.550 0.010 25508 5827 1 13 . 1 1 16 16 GLY N N 16 113.246 113.246 109.941 3.305 25508 5828 1 13 . 1 1 16 16 GLY C C 16 172.877 172.877 173.634 -0.757 25508 5829 1 13 . 1 1 16 16 GLY CA C 16 44.636 44.636 44.013 0.623 25508 5830 1 13 . 1 1 16 16 GLY H H 16 9.236 9.236 8.280 0.956 25508 5831 1 13 . 1 1 17 17 LEU N N 17 120.058 120.058 119.425 0.633 25508 5832 1 13 . 1 1 17 17 LEU HA H 17 3.960 3.960 4.148 -0.188 25508 5833 1 13 . 1 1 17 17 LEU C C 17 177.457 177.457 176.579 0.878 25508 5834 1 13 . 1 1 17 17 LEU CA C 17 55.375 55.375 56.520 -1.145 25508 5835 1 13 . 1 1 17 17 LEU CB C 17 43.355 43.355 42.909 0.446 25508 5836 1 13 . 1 1 17 17 LEU H H 17 9.482 9.482 7.786 1.696 25508 5837 1 13 . 1 1 18 18 ASP N N 18 118.600 118.600 117.939 0.661 25508 5838 1 13 . 1 1 18 18 ASP HA H 18 4.531 4.531 4.751 -0.220 25508 5839 1 13 . 1 1 18 18 ASP C C 18 175.929 175.929 174.473 1.456 25508 5840 1 13 . 1 1 18 18 ASP CA C 18 56.544 56.544 54.048 2.496 25508 5841 1 13 . 1 1 18 18 ASP CB C 18 41.655 41.655 40.872 0.783 25508 5842 1 13 . 1 1 18 18 ASP H H 18 8.848 8.848 8.342 0.506 25508 5843 1 13 . 1 1 19 19 PHE N N 19 113.195 113.195 118.836 -5.641 25508 5844 1 13 . 1 1 19 19 PHE CA C 19 55.070 55.070 55.495 -0.424 25508 5845 1 13 . 1 1 19 19 PHE CB C 19 38.588 38.588 41.078 -2.490 25508 5846 1 13 . 1 1 19 19 PHE H H 19 7.108 7.108 7.352 -0.244 25508 5847 1 13 . 1 1 21 21 PRO HA H 21 4.357 4.357 4.416 -0.059 25508 5848 1 13 . 1 1 21 21 PRO C C 21 174.627 174.627 176.492 -1.865 25508 5849 1 13 . 1 1 21 21 PRO CA C 21 63.914 63.914 64.245 -0.331 25508 5850 1 13 . 1 1 21 21 PRO CB C 21 31.431 31.431 32.475 -1.044 25508 5851 1 13 . 1 1 22 22 LEU N N 22 117.643 117.643 114.811 2.832 25508 5852 1 13 . 1 1 22 22 LEU CA C 22 51.462 51.462 55.041 -3.579 25508 5853 1 13 . 1 1 22 22 LEU CB C 22 46.011 46.011 41.124 4.887 25508 5854 1 13 . 1 1 22 22 LEU H H 22 6.788 6.788 7.502 -0.714 25508 5855 1 13 . 1 1 24 24 GLY N N 24 105.443 105.443 107.810 -2.367 25508 5856 1 13 . 1 1 24 24 GLY C C 24 175.297 175.297 175.062 0.235 25508 5857 1 13 . 1 1 24 24 GLY CA C 24 45.381 45.381 45.295 0.086 25508 5858 1 13 . 1 1 24 24 GLY H H 24 8.367 8.367 8.590 -0.223 25508 5859 1 13 . 1 1 25 25 GLU N N 25 122.031 122.031 118.764 3.267 25508 5860 1 13 . 1 1 25 25 GLU HA H 25 3.887 3.887 4.202 -0.315 25508 5861 1 13 . 1 1 25 25 GLU C C 25 179.015 179.015 177.065 1.950 25508 5862 1 13 . 1 1 25 25 GLU CA C 25 59.283 59.283 57.808 1.475 25508 5863 1 13 . 1 1 25 25 GLU CB C 25 29.176 29.176 28.965 0.211 25508 5864 1 13 . 1 1 25 25 GLU H H 25 8.737 8.737 8.443 0.294 25508 5865 1 13 . 1 1 26 26 LEU N N 26 120.531 120.531 121.152 -0.621 25508 5866 1 13 . 1 1 26 26 LEU HA H 26 4.104 4.104 4.162 -0.058 25508 5867 1 13 . 1 1 26 26 LEU C C 26 178.836 178.836 178.134 0.702 25508 5868 1 13 . 1 1 26 26 LEU CA C 26 57.981 57.981 55.732 2.249 25508 5869 1 13 . 1 1 26 26 LEU CB C 26 40.939 40.939 41.967 -1.028 25508 5870 1 13 . 1 1 26 26 LEU H H 26 8.852 8.852 8.162 0.690 25508 5871 1 13 . 1 1 27 27 GLY N N 27 102.599 102.599 107.289 -4.690 25508 5872 1 13 . 1 1 27 27 GLY C C 27 175.874 175.874 175.815 0.059 25508 5873 1 13 . 1 1 27 27 GLY CA C 27 48.024 48.024 46.742 1.282 25508 5874 1 13 . 1 1 27 27 GLY H H 27 6.894 6.894 8.038 -1.144 25508 5875 1 13 . 1 1 28 28 LYS N N 28 122.738 122.738 120.188 2.550 25508 5876 1 13 . 1 1 28 28 LYS HA H 28 3.914 3.914 4.191 -0.277 25508 5877 1 13 . 1 1 28 28 LYS C C 28 177.965 177.965 178.075 -0.110 25508 5878 1 13 . 1 1 28 28 LYS CA C 28 59.844 59.844 58.732 1.112 25508 5879 1 13 . 1 1 28 28 LYS CB C 28 32.169 32.169 32.360 -0.191 25508 5880 1 13 . 1 1 28 28 LYS H H 28 7.449 7.449 7.851 -0.402 25508 5881 1 13 . 1 1 29 29 ARG N N 29 119.988 119.988 114.119 5.869 25508 5882 1 13 . 1 1 29 29 ARG HA H 29 3.998 3.998 4.394 -0.396 25508 5883 1 13 . 1 1 29 29 ARG CA C 29 59.876 59.876 57.296 2.580 25508 5884 1 13 . 1 1 29 29 ARG CB C 29 30.829 30.829 30.408 0.421 25508 5885 1 13 . 1 1 29 29 ARG H H 29 8.194 8.194 7.575 0.619 25508 5886 1 13 . 1 1 30 30 LEU N N 30 119.547 119.547 119.777 -0.230 25508 5887 1 13 . 1 1 30 30 LEU HA H 30 3.849 3.849 4.193 -0.344 25508 5888 1 13 . 1 1 30 30 LEU C C 30 177.351 177.351 178.800 -1.449 25508 5889 1 13 . 1 1 30 30 LEU CA C 30 58.068 58.068 57.868 0.200 25508 5890 1 13 . 1 1 30 30 LEU CB C 30 41.547 41.547 42.129 -0.582 25508 5891 1 13 . 1 1 30 30 LEU H H 30 8.333 8.333 7.416 0.917 25508 5892 1 13 . 1 1 31 31 TYR N N 31 118.033 118.033 117.528 0.505 25508 5893 1 13 . 1 1 31 31 TYR HA H 31 3.895 3.895 4.141 -0.246 25508 5894 1 13 . 1 1 31 31 TYR C C 31 178.434 178.434 176.560 1.874 25508 5895 1 13 . 1 1 31 31 TYR CA C 31 61.391 61.391 60.320 1.071 25508 5896 1 13 . 1 1 31 31 TYR CB C 31 39.083 39.083 37.618 1.465 25508 5897 1 13 . 1 1 31 31 TYR H H 31 8.106 8.106 8.088 0.018 25508 5898 1 13 . 1 1 32 32 GLU N N 32 117.126 117.126 115.485 1.641 25508 5899 1 13 . 1 1 32 32 GLU HA H 32 3.926 3.926 3.919 0.007 25508 5900 1 13 . 1 1 32 32 GLU C C 32 178.370 178.370 176.285 2.085 25508 5901 1 13 . 1 1 32 32 GLU CA C 32 58.603 58.603 56.829 1.774 25508 5902 1 13 . 1 1 32 32 GLU CB C 32 30.580 30.580 29.023 1.557 25508 5903 1 13 . 1 1 32 32 GLU H H 32 8.260 8.260 7.931 0.329 25508 5904 1 13 . 1 1 33 33 SER N N 33 108.887 108.887 113.195 -4.308 25508 5905 1 13 . 1 1 33 33 SER HA H 33 4.910 4.910 4.502 0.408 25508 5906 1 13 . 1 1 33 33 SER C C 33 171.776 171.776 174.074 -2.298 25508 5907 1 13 . 1 1 33 33 SER CA C 33 60.399 60.399 59.710 0.689 25508 5908 1 13 . 1 1 33 33 SER CB C 33 67.057 67.057 66.302 0.755 25508 5909 1 13 . 1 1 33 33 SER H H 33 7.553 7.553 7.996 -0.443 25508 5910 1 13 . 1 1 34 34 VAL N N 34 120.097 120.097 118.759 1.338 25508 5911 1 13 . 1 1 34 34 VAL CA C 34 61.287 61.287 62.066 -0.779 25508 5912 1 13 . 1 1 34 34 VAL CB C 34 34.048 34.048 32.532 1.516 25508 5913 1 13 . 1 1 34 34 VAL H H 34 8.396 8.396 8.241 0.155 25508 5914 1 13 . 1 1 35 35 SER HA H 35 4.107 4.107 5.097 -0.990 25508 5915 1 13 . 1 1 35 35 SER C C 35 174.321 174.321 174.688 -0.367 25508 5916 1 13 . 1 1 35 35 SER CA C 35 58.771 58.771 56.704 2.067 25508 5917 1 13 . 1 1 35 35 SER CB C 35 66.899 66.899 65.909 0.990 25508 5918 1 13 . 1 1 36 36 LYS N N 36 119.115 119.115 121.424 -2.309 25508 5919 1 13 . 1 1 36 36 LYS HA H 36 4.016 4.016 4.130 -0.114 25508 5920 1 13 . 1 1 36 36 LYS C C 36 179.407 179.407 177.830 1.577 25508 5921 1 13 . 1 1 36 36 LYS CA C 36 60.728 60.728 58.332 2.396 25508 5922 1 13 . 1 1 36 36 LYS CB C 36 32.746 32.746 32.480 0.266 25508 5923 1 13 . 1 1 36 36 LYS H H 36 8.562 8.562 8.602 -0.040 25508 5924 1 13 . 1 1 37 37 GLN N N 37 118.142 118.142 117.972 0.170 25508 5925 1 13 . 1 1 37 37 GLN HA H 37 3.970 3.970 4.274 -0.304 25508 5926 1 13 . 1 1 37 37 GLN C C 37 177.580 177.580 178.050 -0.470 25508 5927 1 13 . 1 1 37 37 GLN CA C 37 59.134 59.134 58.233 0.901 25508 5928 1 13 . 1 1 37 37 GLN CB C 37 28.534 28.534 28.395 0.139 25508 5929 1 13 . 1 1 37 37 GLN H H 37 8.958 8.958 8.100 0.859 25508 5930 1 13 . 1 1 38 38 ALA N N 38 121.173 121.173 123.414 -2.241 25508 5931 1 13 . 1 1 38 38 ALA HA H 38 4.409 4.409 3.822 0.587 25508 5932 1 13 . 1 1 38 38 ALA C C 38 181.081 181.081 178.848 2.233 25508 5933 1 13 . 1 1 38 38 ALA CA C 38 55.065 55.065 54.384 0.681 25508 5934 1 13 . 1 1 38 38 ALA CB C 38 19.574 19.574 17.778 1.796 25508 5935 1 13 . 1 1 38 38 ALA H H 38 8.233 8.233 8.053 0.180 25508 5936 1 13 . 1 1 39 39 TRP N N 39 121.046 121.046 119.739 1.307 25508 5937 1 13 . 1 1 39 39 TRP HA H 39 4.898 4.898 4.454 0.444 25508 5938 1 13 . 1 1 39 39 TRP C C 39 176.886 176.886 177.770 -0.884 25508 5939 1 13 . 1 1 39 39 TRP CA C 39 60.403 60.403 60.294 0.110 25508 5940 1 13 . 1 1 39 39 TRP CB C 39 30.640 30.640 29.575 1.065 25508 5941 1 13 . 1 1 39 39 TRP H H 39 8.891 8.891 8.048 0.843 25508 5942 1 13 . 1 1 40 40 GLN N N 40 117.010 117.010 115.653 1.357 25508 5943 1 13 . 1 1 40 40 GLN HA H 40 3.715 3.715 3.981 -0.266 25508 5944 1 13 . 1 1 40 40 GLN C C 40 179.512 179.512 177.844 1.668 25508 5945 1 13 . 1 1 40 40 GLN CA C 40 59.159 59.159 58.099 1.060 25508 5946 1 13 . 1 1 40 40 GLN CB C 40 27.821 27.821 28.388 -0.567 25508 5947 1 13 . 1 1 40 40 GLN H H 40 8.541 8.541 7.580 0.961 25508 5948 1 13 . 1 1 41 41 ASP N N 41 120.036 120.036 122.226 -2.190 25508 5949 1 13 . 1 1 41 41 ASP HA H 41 4.396 4.396 4.249 0.147 25508 5950 1 13 . 1 1 41 41 ASP C C 41 179.637 179.637 177.746 1.891 25508 5951 1 13 . 1 1 41 41 ASP CA C 41 57.571 57.571 57.108 0.462 25508 5952 1 13 . 1 1 41 41 ASP CB C 41 40.205 40.205 40.386 -0.180 25508 5953 1 13 . 1 1 41 41 ASP H H 41 8.119 8.119 7.305 0.814 25508 5954 1 13 . 1 1 42 42 TRP N N 42 123.295 123.295 118.686 4.609 25508 5955 1 13 . 1 1 42 42 TRP HA H 42 3.992 3.992 4.219 -0.227 25508 5956 1 13 . 1 1 42 42 TRP C C 42 176.559 176.559 178.726 -2.167 25508 5957 1 13 . 1 1 42 42 TRP CA C 42 58.825 58.825 59.906 -1.081 25508 5958 1 13 . 1 1 42 42 TRP CB C 42 30.101 30.101 29.319 0.782 25508 5959 1 13 . 1 1 42 42 TRP H H 42 8.015 8.015 8.191 -0.176 25508 5960 1 13 . 1 1 43 43 LEU N N 43 118.444 118.444 117.919 0.525 25508 5961 1 13 . 1 1 43 43 LEU HA H 43 3.073 3.073 3.828 -0.755 25508 5962 1 13 . 1 1 43 43 LEU C C 43 180.127 180.127 178.846 1.281 25508 5963 1 13 . 1 1 43 43 LEU CA C 43 57.710 57.710 57.676 0.034 25508 5964 1 13 . 1 1 43 43 LEU CB C 43 40.675 40.675 41.229 -0.554 25508 5965 1 13 . 1 1 43 43 LEU H H 43 8.027 8.027 7.644 0.383 25508 5966 1 13 . 1 1 44 44 LYS N N 44 117.577 117.577 119.570 -1.993 25508 5967 1 13 . 1 1 44 44 LYS HA H 44 3.871 3.871 3.949 -0.078 25508 5968 1 13 . 1 1 44 44 LYS C C 44 179.010 179.010 178.988 0.022 25508 5969 1 13 . 1 1 44 44 LYS CA C 44 59.496 59.496 59.197 0.298 25508 5970 1 13 . 1 1 44 44 LYS CB C 44 32.301 32.301 32.110 0.191 25508 5971 1 13 . 1 1 44 44 LYS H H 44 7.065 7.065 7.719 -0.654 25508 5972 1 13 . 1 1 45 45 GLN N N 45 120.755 120.755 117.592 3.163 25508 5973 1 13 . 1 1 45 45 GLN HA H 45 3.834 3.834 4.104 -0.270 25508 5974 1 13 . 1 1 45 45 GLN C C 45 177.807 177.807 178.231 -0.424 25508 5975 1 13 . 1 1 45 45 GLN CA C 45 57.760 57.760 58.571 -0.811 25508 5976 1 13 . 1 1 45 45 GLN CB C 45 27.623 27.623 28.152 -0.529 25508 5977 1 13 . 1 1 45 45 GLN H H 45 7.033 7.033 7.748 -0.715 25508 5978 1 13 . 1 1 46 46 GLN N N 46 120.768 120.768 120.095 0.673 25508 5979 1 13 . 1 1 46 46 GLN HA H 46 3.065 3.065 3.971 -0.906 25508 5980 1 13 . 1 1 46 46 GLN C C 46 177.167 177.167 178.479 -1.312 25508 5981 1 13 . 1 1 46 46 GLN CA C 46 59.136 59.136 59.593 -0.456 25508 5982 1 13 . 1 1 46 46 GLN CB C 46 28.416 28.416 28.637 -0.220 25508 5983 1 13 . 1 1 46 46 GLN H H 46 8.346 8.346 8.107 0.239 25508 5984 1 13 . 1 1 47 47 THR N N 47 114.925 114.925 114.384 0.541 25508 5985 1 13 . 1 1 47 47 THR HA H 47 3.690 3.690 4.198 -0.508 25508 5986 1 13 . 1 1 47 47 THR C C 47 175.615 175.615 175.989 -0.374 25508 5987 1 13 . 1 1 47 47 THR CA C 47 66.804 66.804 66.332 0.472 25508 5988 1 13 . 1 1 47 47 THR CB C 47 68.895 68.895 68.715 0.180 25508 5989 1 13 . 1 1 47 47 THR H H 47 7.629 7.629 7.570 0.059 25508 5990 1 13 . 1 1 48 48 MET N N 48 120.050 120.050 121.354 -1.304 25508 5991 1 13 . 1 1 48 48 MET HA H 48 4.117 4.117 4.379 -0.262 25508 5992 1 13 . 1 1 48 48 MET C C 48 177.928 177.928 178.464 -0.536 25508 5993 1 13 . 1 1 48 48 MET CA C 48 59.041 59.041 57.872 1.169 25508 5994 1 13 . 1 1 48 48 MET CB C 48 31.985 31.985 31.809 0.176 25508 5995 1 13 . 1 1 48 48 MET H H 48 7.077 7.077 7.325 -0.248 25508 5996 1 13 . 1 1 49 49 LEU N N 49 120.156 120.156 120.005 0.151 25508 5997 1 13 . 1 1 49 49 LEU HA H 49 3.991 3.991 4.213 -0.222 25508 5998 1 13 . 1 1 49 49 LEU C C 49 180.284 180.284 179.452 0.832 25508 5999 1 13 . 1 1 49 49 LEU CA C 49 58.157 58.157 57.576 0.581 25508 6000 1 13 . 1 1 49 49 LEU CB C 49 42.723 42.723 41.686 1.037 25508 6001 1 13 . 1 1 49 49 LEU H H 49 7.982 7.982 8.451 -0.469 25508 6002 1 13 . 1 1 50 50 ILE N N 50 119.987 119.987 119.786 0.201 25508 6003 1 13 . 1 1 50 50 ILE HA H 50 3.487 3.487 3.546 -0.059 25508 6004 1 13 . 1 1 50 50 ILE C C 50 178.074 178.074 177.631 0.443 25508 6005 1 13 . 1 1 50 50 ILE CA C 50 65.734 65.734 65.717 0.017 25508 6006 1 13 . 1 1 50 50 ILE CB C 50 38.622 38.622 37.607 1.015 25508 6007 1 13 . 1 1 50 50 ILE H H 50 8.275 8.275 7.753 0.522 25508 6008 1 13 . 1 1 51 51 ASN N N 51 117.331 117.331 116.603 0.728 25508 6009 1 13 . 1 1 51 51 ASN HA H 51 4.493 4.493 4.513 -0.020 25508 6010 1 13 . 1 1 51 51 ASN C C 51 178.621 178.621 176.783 1.838 25508 6011 1 13 . 1 1 51 51 ASN CA C 51 55.787 55.787 56.139 -0.352 25508 6012 1 13 . 1 1 51 51 ASN CB C 51 38.273 38.273 38.899 -0.626 25508 6013 1 13 . 1 1 51 51 ASN H H 51 7.902 7.902 7.955 -0.053 25508 6014 1 13 . 1 1 52 52 GLU N N 52 120.128 120.128 121.506 -1.378 25508 6015 1 13 . 1 1 52 52 GLU HA H 52 4.006 4.006 3.994 0.012 25508 6016 1 13 . 1 1 52 52 GLU C C 52 177.628 177.628 177.709 -0.081 25508 6017 1 13 . 1 1 52 52 GLU CA C 52 59.034 59.034 59.808 -0.774 25508 6018 1 13 . 1 1 52 52 GLU CB C 52 29.714 29.714 29.936 -0.222 25508 6019 1 13 . 1 1 52 52 GLU H H 52 8.958 8.958 8.124 0.834 25508 6020 1 13 . 1 1 53 53 ASN N N 53 112.872 112.872 116.373 -3.501 25508 6021 1 13 . 1 1 53 53 ASN HA H 53 4.666 4.666 4.458 0.208 25508 6022 1 13 . 1 1 53 53 ASN C C 53 173.022 173.022 175.130 -2.108 25508 6023 1 13 . 1 1 53 53 ASN CA C 53 53.416 53.416 54.382 -0.966 25508 6024 1 13 . 1 1 53 53 ASN CB C 53 38.938 38.938 38.445 0.493 25508 6025 1 13 . 1 1 53 53 ASN H H 53 7.535 7.535 8.068 -0.533 25508 6026 1 13 . 1 1 54 54 ARG N N 54 118.579 118.579 114.596 3.983 25508 6027 1 13 . 1 1 54 54 ARG HA H 54 3.975 3.975 4.102 -0.127 25508 6028 1 13 . 1 1 54 54 ARG C C 54 176.170 176.170 175.382 0.788 25508 6029 1 13 . 1 1 54 54 ARG CA C 54 56.615 56.615 56.609 0.006 25508 6030 1 13 . 1 1 54 54 ARG CB C 54 27.180 27.180 27.555 -0.375 25508 6031 1 13 . 1 1 54 54 ARG H H 54 7.696 7.696 7.495 0.201 25508 6032 1 13 . 1 1 55 55 LEU N N 55 116.705 116.705 118.546 -1.841 25508 6033 1 13 . 1 1 55 55 LEU HA H 55 4.097 4.097 4.347 -0.250 25508 6034 1 13 . 1 1 55 55 LEU C C 55 176.242 176.242 177.091 -0.849 25508 6035 1 13 . 1 1 55 55 LEU CA C 55 55.099 55.099 53.630 1.470 25508 6036 1 13 . 1 1 55 55 LEU CB C 55 42.694 42.694 43.215 -0.521 25508 6037 1 13 . 1 1 55 55 LEU H H 55 7.927 7.927 7.568 0.359 25508 6038 1 13 . 1 1 56 56 ASN N N 56 120.616 120.616 119.049 1.567 25508 6039 1 13 . 1 1 56 56 ASN HA H 56 4.708 4.708 4.954 -0.246 25508 6040 1 13 . 1 1 56 56 ASN C C 56 176.058 176.058 175.836 0.222 25508 6041 1 13 . 1 1 56 56 ASN CA C 56 51.440 51.440 51.743 -0.303 25508 6042 1 13 . 1 1 56 56 ASN CB C 56 38.554 38.554 38.294 0.260 25508 6043 1 13 . 1 1 56 56 ASN H H 56 8.530 8.530 8.540 -0.010 25508 6044 1 13 . 1 1 57 57 MET N N 57 121.659 121.659 124.009 -2.350 25508 6045 1 13 . 1 1 57 57 MET HA H 57 4.341 4.341 4.054 0.287 25508 6046 1 13 . 1 1 57 57 MET C C 57 176.694 176.694 177.556 -0.862 25508 6047 1 13 . 1 1 57 57 MET CA C 57 55.717 55.717 59.086 -3.369 25508 6048 1 13 . 1 1 57 57 MET CB C 57 30.266 30.266 32.458 -2.192 25508 6049 1 13 . 1 1 57 57 MET H H 57 8.628 8.628 8.653 -0.025 25508 6050 1 13 . 1 1 58 58 ALA N N 58 120.515 120.515 121.038 -0.523 25508 6051 1 13 . 1 1 58 58 ALA HA H 58 4.267 4.267 4.109 0.158 25508 6052 1 13 . 1 1 58 58 ALA C C 58 177.625 177.625 178.065 -0.440 25508 6053 1 13 . 1 1 58 58 ALA CA C 58 52.643 52.643 53.591 -0.948 25508 6054 1 13 . 1 1 58 58 ALA CB C 58 18.667 18.667 18.838 -0.171 25508 6055 1 13 . 1 1 58 58 ALA H H 58 7.988 7.988 7.947 0.041 25508 6056 1 13 . 1 1 59 59 ASP N N 59 121.926 121.926 116.565 5.361 25508 6057 1 13 . 1 1 59 59 ASP CA C 59 50.871 50.871 51.441 -0.570 25508 6058 1 13 . 1 1 59 59 ASP CB C 59 42.450 42.450 41.651 0.799 25508 6059 1 13 . 1 1 59 59 ASP H H 59 8.024 8.024 7.856 0.168 25508 6060 1 13 . 1 1 60 60 PRO HA H 60 4.186 4.186 4.312 -0.126 25508 6061 1 13 . 1 1 60 60 PRO C C 60 179.232 179.232 178.144 1.088 25508 6062 1 13 . 1 1 60 60 PRO CA C 60 65.347 65.347 64.371 0.976 25508 6063 1 13 . 1 1 60 60 PRO CB C 60 32.399 32.399 32.428 -0.029 25508 6064 1 13 . 1 1 61 61 ARG N N 61 117.390 117.390 119.160 -1.770 25508 6065 1 13 . 1 1 61 61 ARG HA H 61 4.107 4.107 4.052 0.055 25508 6066 1 13 . 1 1 61 61 ARG C C 61 179.817 179.817 178.158 1.659 25508 6067 1 13 . 1 1 61 61 ARG CA C 61 59.098 59.098 59.145 -0.047 25508 6068 1 13 . 1 1 61 61 ARG CB C 61 29.670 29.670 28.948 0.722 25508 6069 1 13 . 1 1 61 61 ARG H H 61 8.597 8.597 8.568 0.029 25508 6070 1 13 . 1 1 62 62 ALA N N 62 124.172 124.172 119.897 4.275 25508 6071 1 13 . 1 1 62 62 ALA HA H 62 4.201 4.201 4.161 0.040 25508 6072 1 13 . 1 1 62 62 ALA C C 62 179.726 179.726 180.003 -0.277 25508 6073 1 13 . 1 1 62 62 ALA CA C 62 55.011 55.011 54.657 0.354 25508 6074 1 13 . 1 1 62 62 ALA CB C 62 19.251 19.251 18.471 0.780 25508 6075 1 13 . 1 1 62 62 ALA H H 62 7.597 7.597 7.804 -0.207 25508 6076 1 13 . 1 1 63 63 ARG N N 63 116.483 116.483 118.293 -1.810 25508 6077 1 13 . 1 1 63 63 ARG HA H 63 3.985 3.985 4.234 -0.249 25508 6078 1 13 . 1 1 63 63 ARG C C 63 179.234 179.234 178.374 0.860 25508 6079 1 13 . 1 1 63 63 ARG CA C 63 60.029 60.029 58.759 1.270 25508 6080 1 13 . 1 1 63 63 ARG CB C 63 29.806 29.806 30.262 -0.457 25508 6081 1 13 . 1 1 63 63 ARG H H 63 7.640 7.640 7.940 -0.300 25508 6082 1 13 . 1 1 64 64 GLN N N 64 119.143 119.143 119.564 -0.421 25508 6083 1 13 . 1 1 64 64 GLN HA H 64 4.095 4.095 4.063 0.032 25508 6084 1 13 . 1 1 64 64 GLN C C 64 178.261 178.261 177.180 1.081 25508 6085 1 13 . 1 1 64 64 GLN CA C 64 59.183 59.183 58.681 0.502 25508 6086 1 13 . 1 1 64 64 GLN CB C 64 28.266 28.266 28.823 -0.557 25508 6087 1 13 . 1 1 64 64 GLN H H 64 8.114 8.114 8.233 -0.119 25508 6088 1 13 . 1 1 65 65 TYR N N 65 121.413 121.413 117.818 3.595 25508 6089 1 13 . 1 1 65 65 TYR HA H 65 4.321 4.321 4.455 -0.134 25508 6090 1 13 . 1 1 65 65 TYR C C 65 180.478 180.478 177.115 3.363 25508 6091 1 13 . 1 1 65 65 TYR CA C 65 61.407 61.407 60.277 1.130 25508 6092 1 13 . 1 1 65 65 TYR CB C 65 37.831 37.831 39.367 -1.536 25508 6093 1 13 . 1 1 65 65 TYR H H 65 7.929 7.929 7.674 0.255 25508 6094 1 13 . 1 1 66 66 LEU N N 66 119.499 119.499 121.654 -2.155 25508 6095 1 13 . 1 1 66 66 LEU HA H 66 3.870 3.870 3.873 -0.003 25508 6096 1 13 . 1 1 66 66 LEU C C 66 180.847 180.847 178.881 1.966 25508 6097 1 13 . 1 1 66 66 LEU CA C 66 57.959 57.959 57.913 0.046 25508 6098 1 13 . 1 1 66 66 LEU CB C 66 41.522 41.522 42.090 -0.568 25508 6099 1 13 . 1 1 66 66 LEU H H 66 8.328 8.328 7.615 0.713 25508 6100 1 13 . 1 1 67 67 MET N N 67 122.316 122.316 115.424 6.892 25508 6101 1 13 . 1 1 67 67 MET HA H 67 4.100 4.100 4.072 0.028 25508 6102 1 13 . 1 1 67 67 MET C C 67 178.402 178.402 177.071 1.331 25508 6103 1 13 . 1 1 67 67 MET CA C 67 59.693 59.693 58.523 1.170 25508 6104 1 13 . 1 1 67 67 MET CB C 67 32.202 32.202 31.989 0.213 25508 6105 1 13 . 1 1 67 67 MET H H 67 8.480 8.480 7.995 0.485 25508 6106 1 13 . 1 1 68 68 LYS N N 68 120.460 120.460 117.276 3.184 25508 6107 1 13 . 1 1 68 68 LYS HA H 68 4.160 4.160 4.110 0.050 25508 6108 1 13 . 1 1 68 68 LYS C C 68 179.963 179.963 179.099 0.864 25508 6109 1 13 . 1 1 68 68 LYS CA C 68 58.857 58.857 58.220 0.637 25508 6110 1 13 . 1 1 68 68 LYS CB C 68 31.276 31.276 31.663 -0.387 25508 6111 1 13 . 1 1 68 68 LYS H H 68 8.024 8.024 7.643 0.381 25508 6112 1 13 . 1 1 69 69 GLN N N 69 117.834 117.834 118.785 -0.951 25508 6113 1 13 . 1 1 69 69 GLN HA H 69 3.858 3.858 4.265 -0.407 25508 6114 1 13 . 1 1 69 69 GLN C C 69 178.013 178.013 177.444 0.569 25508 6115 1 13 . 1 1 69 69 GLN CA C 69 58.097 58.097 57.930 0.167 25508 6116 1 13 . 1 1 69 69 GLN CB C 69 27.601 27.601 28.895 -1.294 25508 6117 1 13 . 1 1 69 69 GLN H H 69 8.281 8.281 8.058 0.223 25508 6118 1 13 . 1 1 70 70 THR N N 70 119.066 119.066 114.784 4.282 25508 6119 1 13 . 1 1 70 70 THR HA H 70 2.666 2.666 4.103 -1.437 25508 6120 1 13 . 1 1 70 70 THR C C 70 175.189 175.189 175.648 -0.459 25508 6121 1 13 . 1 1 70 70 THR CA C 70 66.732 66.732 65.483 1.249 25508 6122 1 13 . 1 1 70 70 THR CB C 70 68.451 68.451 68.739 -0.288 25508 6123 1 13 . 1 1 70 70 THR H H 70 8.245 8.245 7.584 0.661 25508 6124 1 13 . 1 1 71 71 GLU N N 71 121.112 121.112 121.650 -0.538 25508 6125 1 13 . 1 1 71 71 GLU HA H 71 3.873 3.873 4.167 -0.294 25508 6126 1 13 . 1 1 71 71 GLU C C 71 177.903 177.903 178.182 -0.279 25508 6127 1 13 . 1 1 71 71 GLU CA C 71 60.325 60.325 59.279 1.046 25508 6128 1 13 . 1 1 71 71 GLU CB C 71 30.065 30.065 29.610 0.455 25508 6129 1 13 . 1 1 71 71 GLU H H 71 7.872 7.872 8.337 -0.465 25508 6130 1 13 . 1 1 72 72 LYS N N 72 118.112 118.112 118.593 -0.481 25508 6131 1 13 . 1 1 72 72 LYS HA H 72 3.853 3.853 4.097 -0.244 25508 6132 1 13 . 1 1 72 72 LYS C C 72 178.447 178.447 178.501 -0.054 25508 6133 1 13 . 1 1 72 72 LYS CA C 72 59.199 59.199 58.410 0.790 25508 6134 1 13 . 1 1 72 72 LYS CB C 72 32.705 32.705 31.870 0.835 25508 6135 1 13 . 1 1 72 72 LYS H H 72 7.932 7.932 7.645 0.287 25508 6136 1 13 . 1 1 73 73 TYR N N 73 119.703 119.703 119.071 0.632 25508 6137 1 13 . 1 1 73 73 TYR HA H 73 3.704 3.704 4.253 -0.549 25508 6138 1 13 . 1 1 73 73 TYR C C 73 176.953 176.953 176.920 0.033 25508 6139 1 13 . 1 1 73 73 TYR CA C 73 61.540 61.540 61.997 -0.457 25508 6140 1 13 . 1 1 73 73 TYR CB C 73 38.266 38.266 38.882 -0.616 25508 6141 1 13 . 1 1 73 73 TYR H H 73 7.800 7.800 7.816 -0.016 25508 6142 1 13 . 1 1 74 74 PHE N N 74 111.749 111.749 117.806 -6.057 25508 6143 1 13 . 1 1 74 74 PHE HA H 74 3.886 3.886 4.456 -0.570 25508 6144 1 13 . 1 1 74 74 PHE C C 74 176.300 176.300 175.918 0.382 25508 6145 1 13 . 1 1 74 74 PHE CA C 74 61.784 61.784 59.864 1.920 25508 6146 1 13 . 1 1 74 74 PHE CB C 74 39.690 39.690 40.432 -0.742 25508 6147 1 13 . 1 1 74 74 PHE H H 74 7.139 7.139 7.971 -0.832 25508 6148 1 13 . 1 1 75 75 PHE N N 75 114.845 114.845 115.185 -0.340 25508 6149 1 13 . 1 1 75 75 PHE HA H 75 5.009 5.009 4.124 0.885 25508 6150 1 13 . 1 1 75 75 PHE C C 75 176.448 176.448 175.681 0.767 25508 6151 1 13 . 1 1 75 75 PHE CA C 75 56.575 56.575 59.319 -2.744 25508 6152 1 13 . 1 1 75 75 PHE CB C 75 40.353 40.353 38.688 1.665 25508 6153 1 13 . 1 1 75 75 PHE H H 75 8.275 8.275 8.013 0.262 25508 6154 1 13 . 1 1 76 76 GLY N N 76 109.977 109.977 106.206 3.771 25508 6155 1 13 . 1 1 76 76 GLY C C 76 173.602 173.602 174.351 -0.749 25508 6156 1 13 . 1 1 76 76 GLY CA C 76 45.375 45.375 45.209 0.167 25508 6157 1 13 . 1 1 76 76 GLY H H 76 7.836 7.836 7.646 0.190 25508 6158 1 13 . 1 1 77 77 GLU N N 77 120.068 120.068 123.347 -3.279 25508 6159 1 13 . 1 1 77 77 GLU HA H 77 4.259 4.259 4.022 0.237 25508 6160 1 13 . 1 1 77 77 GLU C C 77 176.925 176.925 178.429 -1.504 25508 6161 1 13 . 1 1 77 77 GLU CA C 77 56.647 56.647 58.318 -1.671 25508 6162 1 13 . 1 1 77 77 GLU CB C 77 30.694 30.694 29.369 1.325 25508 6163 1 13 . 1 1 77 77 GLU H H 77 8.445 8.445 8.339 0.106 25508 6164 1 13 . 1 1 78 78 GLY N N 78 110.135 110.135 107.253 2.882 25508 6165 1 13 . 1 1 78 78 GLY C C 78 174.241 174.241 173.045 1.196 25508 6166 1 13 . 1 1 78 78 GLY CA C 78 45.368 45.368 44.396 0.972 25508 6167 1 13 . 1 1 78 78 GLY H H 78 8.457 8.457 7.885 0.572 25508 6168 1 13 . 1 1 79 79 ALA N N 79 123.773 123.773 122.730 1.043 25508 6169 1 13 . 1 1 79 79 ALA HA H 79 4.208 4.208 4.267 -0.059 25508 6170 1 13 . 1 1 79 79 ALA C C 79 177.657 177.657 175.767 1.890 25508 6171 1 13 . 1 1 79 79 ALA CA C 79 52.782 52.782 51.140 1.642 25508 6172 1 13 . 1 1 79 79 ALA CB C 79 19.145 19.145 21.115 -1.970 25508 6173 1 13 . 1 1 79 79 ALA H H 79 8.195 8.195 7.200 0.995 25508 6174 1 13 . 1 1 80 80 ASP N N 80 118.833 118.833 121.927 -3.094 25508 6175 1 13 . 1 1 80 80 ASP HA H 80 4.473 4.473 4.690 -0.217 25508 6176 1 13 . 1 1 80 80 ASP C C 80 176.374 176.374 175.502 0.872 25508 6177 1 13 . 1 1 80 80 ASP CA C 80 54.383 54.383 54.347 0.036 25508 6178 1 13 . 1 1 80 80 ASP CB C 80 40.940 40.940 40.470 0.470 25508 6179 1 13 . 1 1 80 80 ASP H H 80 8.347 8.347 8.479 -0.132 25508 6180 1 13 . 1 1 81 81 GLN N N 81 120.376 120.376 118.948 1.428 25508 6181 1 13 . 1 1 81 81 GLN HA H 81 4.225 4.225 4.566 -0.341 25508 6182 1 13 . 1 1 81 81 GLN C C 81 176.029 176.029 175.006 1.023 25508 6183 1 13 . 1 1 81 81 GLN CA C 81 55.969 55.969 54.835 1.134 25508 6184 1 13 . 1 1 81 81 GLN CB C 81 29.242 29.242 31.485 -2.243 25508 6185 1 13 . 1 1 81 81 GLN H H 81 8.188 8.188 7.776 0.412 25508 6186 1 13 . 1 1 82 82 ALA N N 82 124.734 124.734 123.499 1.235 25508 6187 1 13 . 1 1 82 82 ALA HA H 82 4.271 4.271 4.600 -0.329 25508 6188 1 13 . 1 1 82 82 ALA C C 82 178.011 178.011 176.814 1.197 25508 6189 1 13 . 1 1 82 82 ALA CA C 82 52.680 52.680 51.899 0.781 25508 6190 1 13 . 1 1 82 82 ALA CB C 82 19.023 19.023 19.052 -0.029 25508 6191 1 13 . 1 1 82 82 ALA H H 82 8.307 8.307 8.550 -0.243 25508 6192 1 13 . 1 1 83 83 SER N N 83 114.999 114.999 117.661 -2.662 25508 6193 1 13 . 1 1 83 83 SER HA H 83 4.368 4.368 4.501 -0.133 25508 6194 1 13 . 1 1 83 83 SER C C 83 175.141 175.141 174.157 0.984 25508 6195 1 13 . 1 1 83 83 SER CA C 83 58.843 58.843 57.945 0.898 25508 6196 1 13 . 1 1 83 83 SER CB C 83 63.849 63.849 64.774 -0.925 25508 6197 1 13 . 1 1 83 83 SER H H 83 8.269 8.269 8.429 -0.160 25508 6198 1 13 . 1 1 84 84 GLY N N 84 110.722 110.722 110.737 -0.015 25508 6199 1 13 . 1 1 84 84 GLY C C 84 173.457 173.457 174.041 -0.584 25508 6200 1 13 . 1 1 84 84 GLY CA C 84 45.168 45.168 44.557 0.611 25508 6201 1 13 . 1 1 84 84 GLY H H 84 8.324 8.324 8.246 0.078 25508 6202 1 13 . 1 1 85 85 TYR N N 85 121.054 121.054 119.412 1.642 25508 6203 1 13 . 1 1 85 85 TYR HA H 85 4.395 4.395 4.353 0.042 25508 6204 1 13 . 1 1 85 85 TYR C C 85 174.866 174.866 175.134 -0.268 25508 6205 1 13 . 1 1 85 85 TYR CA C 85 58.433 58.433 58.823 -0.390 25508 6206 1 13 . 1 1 85 85 TYR CB C 85 38.856 38.856 39.370 -0.514 25508 6207 1 13 . 1 1 85 85 TYR H H 85 7.982 7.982 8.164 -0.182 25508 6208 1 13 . 1 1 86 86 VAL N N 86 127.973 127.973 123.682 4.291 25508 6209 1 13 . 1 1 86 86 VAL CA C 86 58.815 58.815 59.018 -0.203 25508 6210 1 13 . 1 1 86 86 VAL CB C 86 33.360 33.360 32.569 0.791 25508 6211 1 13 . 1 1 86 86 VAL H H 86 7.734 7.734 7.530 0.204 25508 6212 1 13 . 1 1 88 88 PRO HA H 88 4.320 4.320 4.430 -0.110 25508 6213 1 13 . 1 1 88 88 PRO C C 88 176.654 176.654 175.788 0.866 25508 6214 1 13 . 1 1 88 88 PRO CA C 88 62.735 62.735 62.639 0.096 25508 6215 1 13 . 1 1 88 88 PRO CB C 88 32.007 32.007 32.358 -0.351 25508 6216 1 13 . 1 1 89 89 ALA N N 89 124.497 124.497 122.091 2.406 25508 6217 1 13 . 1 1 89 89 ALA HA H 89 4.213 4.213 4.530 -0.317 25508 6218 1 13 . 1 1 89 89 ALA C C 89 177.739 177.739 176.686 1.053 25508 6219 1 13 . 1 1 89 89 ALA CA C 89 52.564 52.564 51.887 0.677 25508 6220 1 13 . 1 1 89 89 ALA CB C 89 19.103 19.103 19.237 -0.134 25508 6221 1 13 . 1 1 89 89 ALA H H 89 8.332 8.332 8.185 0.147 25508 6222 1 13 . 1 1 90 90 GLN N N 90 119.712 119.712 123.951 -4.239 25508 6223 1 13 . 1 1 90 90 GLN HA H 90 4.301 4.301 4.542 -0.241 25508 6224 1 13 . 1 1 90 90 GLN C C 90 175.302 175.302 176.315 -1.013 25508 6225 1 13 . 1 1 90 90 GLN CA C 90 55.717 55.717 55.291 0.426 25508 6226 1 13 . 1 1 90 90 GLN CB C 90 29.764 29.764 28.312 1.452 25508 6227 1 13 . 1 1 90 90 GLN H H 90 8.338 8.338 8.737 -0.399 25508 6228 1 14 . 1 1 2 2 ALA N N 2 125.581 125.581 123.791 1.790 25508 6229 1 14 . 1 1 2 2 ALA HA H 2 4.204 4.204 4.811 -0.607 25508 6230 1 14 . 1 1 2 2 ALA C C 2 176.764 176.764 177.021 -0.257 25508 6231 1 14 . 1 1 2 2 ALA CA C 2 52.280 52.280 52.625 -0.345 25508 6232 1 14 . 1 1 2 2 ALA CB C 2 19.494 19.494 20.007 -0.513 25508 6233 1 14 . 1 1 2 2 ALA H H 2 8.203 8.203 8.505 -0.302 25508 6234 1 14 . 1 1 3 3 ARG N N 3 123.058 123.058 117.091 5.967 25508 6235 1 14 . 1 1 3 3 ARG HA H 3 4.247 4.247 4.673 -0.426 25508 6236 1 14 . 1 1 3 3 ARG C C 3 174.914 174.914 174.161 0.753 25508 6237 1 14 . 1 1 3 3 ARG CA C 3 55.678 55.678 54.728 0.950 25508 6238 1 14 . 1 1 3 3 ARG CB C 3 31.276 31.276 33.682 -2.406 25508 6239 1 14 . 1 1 3 3 ARG H H 3 8.649 8.649 8.371 0.278 25508 6240 1 14 . 1 1 4 4 MET N N 4 125.010 125.010 118.650 6.360 25508 6241 1 14 . 1 1 4 4 MET HA H 4 4.966 4.966 4.880 0.086 25508 6242 1 14 . 1 1 4 4 MET C C 4 176.144 176.144 175.171 0.973 25508 6243 1 14 . 1 1 4 4 MET CA C 4 53.311 53.311 54.870 -1.559 25508 6244 1 14 . 1 1 4 4 MET CB C 4 32.120 32.120 34.040 -1.920 25508 6245 1 14 . 1 1 4 4 MET H H 4 8.427 8.427 8.372 0.055 25508 6246 1 14 . 1 1 5 5 ILE N N 5 117.850 117.850 119.128 -1.278 25508 6247 1 14 . 1 1 5 5 ILE HA H 5 4.623 4.623 4.661 -0.038 25508 6248 1 14 . 1 1 5 5 ILE C C 5 174.207 174.207 173.875 0.332 25508 6249 1 14 . 1 1 5 5 ILE CA C 5 58.353 58.353 59.099 -0.746 25508 6250 1 14 . 1 1 5 5 ILE CB C 5 42.910 42.910 42.153 0.757 25508 6251 1 14 . 1 1 5 5 ILE H H 5 8.860 8.860 8.588 0.272 25508 6252 1 14 . 1 1 6 6 HIS N N 6 120.378 120.378 118.916 1.462 25508 6253 1 14 . 1 1 6 6 HIS HA H 6 4.301 4.301 5.180 -0.879 25508 6254 1 14 . 1 1 6 6 HIS C C 6 173.087 173.087 175.375 -2.288 25508 6255 1 14 . 1 1 6 6 HIS CA C 6 56.131 56.131 53.680 2.451 25508 6256 1 14 . 1 1 6 6 HIS CB C 6 28.508 28.508 28.083 0.425 25508 6257 1 14 . 1 1 6 6 HIS H H 6 8.506 8.506 8.029 0.477 25508 6258 1 14 . 1 1 7 7 CYS N N 7 131.021 131.021 121.787 9.234 25508 6259 1 14 . 1 1 7 7 CYS HA H 7 4.154 4.154 4.162 -0.008 25508 6260 1 14 . 1 1 7 7 CYS C C 7 177.621 177.621 176.073 1.548 25508 6261 1 14 . 1 1 7 7 CYS CA C 7 61.346 61.346 58.824 2.522 25508 6262 1 14 . 1 1 7 7 CYS CB C 7 31.004 31.004 27.929 3.075 25508 6263 1 14 . 1 1 7 7 CYS H H 7 7.873 7.873 8.050 -0.177 25508 6264 1 14 . 1 1 8 8 ALA N N 8 133.325 133.325 127.899 5.426 25508 6265 1 14 . 1 1 8 8 ALA HA H 8 4.229 4.229 3.670 0.559 25508 6266 1 14 . 1 1 8 8 ALA C C 8 178.608 178.608 177.265 1.343 25508 6267 1 14 . 1 1 8 8 ALA CA C 8 54.478 54.478 53.758 0.720 25508 6268 1 14 . 1 1 8 8 ALA CB C 8 19.264 19.264 17.763 1.501 25508 6269 1 14 . 1 1 8 8 ALA H H 8 9.543 9.543 7.859 1.684 25508 6270 1 14 . 1 1 9 9 LYS N N 9 122.128 122.128 116.801 5.327 25508 6271 1 14 . 1 1 9 9 LYS CA C 9 56.353 56.353 58.472 -2.119 25508 6272 1 14 . 1 1 9 9 LYS CB C 9 33.619 33.619 32.621 0.998 25508 6273 1 14 . 1 1 9 9 LYS H H 9 9.739 9.739 8.215 1.524 25508 6274 1 14 . 1 1 10 10 LEU HA H 10 4.194 4.194 4.153 0.041 25508 6275 1 14 . 1 1 10 10 LEU C C 10 178.870 178.870 177.033 1.837 25508 6276 1 14 . 1 1 10 10 LEU CA C 10 55.934 55.934 55.921 0.013 25508 6277 1 14 . 1 1 10 10 LEU CB C 10 42.693 42.693 43.148 -0.455 25508 6278 1 14 . 1 1 11 11 GLY N N 11 107.385 107.385 104.717 2.668 25508 6279 1 14 . 1 1 11 11 GLY C C 11 173.268 173.268 173.438 -0.170 25508 6280 1 14 . 1 1 11 11 GLY CA C 11 46.756 46.756 44.873 1.883 25508 6281 1 14 . 1 1 11 11 GLY H H 11 8.258 8.258 8.017 0.241 25508 6282 1 14 . 1 1 12 12 LYS N N 12 112.456 112.456 116.693 -4.237 25508 6283 1 14 . 1 1 12 12 LYS HA H 12 4.547 4.547 4.512 0.035 25508 6284 1 14 . 1 1 12 12 LYS C C 12 173.822 173.822 173.985 -0.163 25508 6285 1 14 . 1 1 12 12 LYS CA C 12 53.523 53.523 54.524 -1.001 25508 6286 1 14 . 1 1 12 12 LYS CB C 12 35.156 35.156 34.380 0.776 25508 6287 1 14 . 1 1 12 12 LYS H H 12 6.772 6.772 7.601 -0.829 25508 6288 1 14 . 1 1 13 13 GLU N N 13 121.058 121.058 120.167 0.891 25508 6289 1 14 . 1 1 13 13 GLU HA H 13 4.874 4.874 4.439 0.435 25508 6290 1 14 . 1 1 13 13 GLU C C 13 176.290 176.290 175.752 0.538 25508 6291 1 14 . 1 1 13 13 GLU CA C 13 56.291 56.291 56.613 -0.322 25508 6292 1 14 . 1 1 13 13 GLU CB C 13 29.827 29.827 30.119 -0.292 25508 6293 1 14 . 1 1 13 13 GLU H H 13 8.402 8.402 8.594 -0.192 25508 6294 1 14 . 1 1 14 14 ALA N N 14 127.978 127.978 127.706 0.272 25508 6295 1 14 . 1 1 14 14 ALA HA H 14 4.514 4.514 4.818 -0.304 25508 6296 1 14 . 1 1 14 14 ALA C C 14 175.156 175.156 175.092 0.064 25508 6297 1 14 . 1 1 14 14 ALA CA C 14 51.437 51.437 50.063 1.374 25508 6298 1 14 . 1 1 14 14 ALA CB C 14 23.586 23.586 23.041 0.545 25508 6299 1 14 . 1 1 14 14 ALA H H 14 9.330 9.330 8.827 0.503 25508 6300 1 14 . 1 1 15 15 GLU N N 15 120.272 120.272 120.801 -0.529 25508 6301 1 14 . 1 1 15 15 GLU HA H 15 4.573 4.573 4.760 -0.187 25508 6302 1 14 . 1 1 15 15 GLU C C 15 178.292 178.292 176.879 1.413 25508 6303 1 14 . 1 1 15 15 GLU CA C 15 57.645 57.645 55.469 2.176 25508 6304 1 14 . 1 1 15 15 GLU CB C 15 30.016 30.016 29.957 0.059 25508 6305 1 14 . 1 1 15 15 GLU H H 15 8.560 8.560 8.619 -0.059 25508 6306 1 14 . 1 1 16 16 GLY N N 16 113.246 113.246 111.319 1.927 25508 6307 1 14 . 1 1 16 16 GLY C C 16 172.877 172.877 174.493 -1.616 25508 6308 1 14 . 1 1 16 16 GLY CA C 16 44.636 44.636 44.763 -0.127 25508 6309 1 14 . 1 1 16 16 GLY H H 16 9.236 9.236 8.501 0.735 25508 6310 1 14 . 1 1 17 17 LEU N N 17 120.058 120.058 122.145 -2.087 25508 6311 1 14 . 1 1 17 17 LEU HA H 17 3.960 3.960 4.322 -0.362 25508 6312 1 14 . 1 1 17 17 LEU C C 17 177.457 177.457 177.556 -0.099 25508 6313 1 14 . 1 1 17 17 LEU CA C 17 55.375 55.375 55.629 -0.254 25508 6314 1 14 . 1 1 17 17 LEU CB C 17 43.355 43.355 42.459 0.896 25508 6315 1 14 . 1 1 17 17 LEU H H 17 9.482 9.482 8.188 1.294 25508 6316 1 14 . 1 1 18 18 ASP N N 18 118.600 118.600 118.750 -0.150 25508 6317 1 14 . 1 1 18 18 ASP HA H 18 4.531 4.531 4.543 -0.012 25508 6318 1 14 . 1 1 18 18 ASP C C 18 175.929 175.929 174.945 0.984 25508 6319 1 14 . 1 1 18 18 ASP CA C 18 56.544 56.544 55.523 1.021 25508 6320 1 14 . 1 1 18 18 ASP CB C 18 41.655 41.655 39.085 2.570 25508 6321 1 14 . 1 1 18 18 ASP H H 18 8.848 8.848 8.275 0.573 25508 6322 1 14 . 1 1 19 19 PHE N N 19 113.195 113.195 118.118 -4.923 25508 6323 1 14 . 1 1 19 19 PHE CA C 19 55.070 55.070 54.294 0.776 25508 6324 1 14 . 1 1 19 19 PHE CB C 19 38.588 38.588 40.758 -2.170 25508 6325 1 14 . 1 1 19 19 PHE H H 19 7.108 7.108 7.699 -0.591 25508 6326 1 14 . 1 1 21 21 PRO HA H 21 4.357 4.357 4.528 -0.171 25508 6327 1 14 . 1 1 21 21 PRO C C 21 174.627 174.627 176.910 -2.283 25508 6328 1 14 . 1 1 21 21 PRO CA C 21 63.914 63.914 64.532 -0.619 25508 6329 1 14 . 1 1 21 21 PRO CB C 21 31.431 31.431 32.195 -0.764 25508 6330 1 14 . 1 1 22 22 LEU N N 22 117.643 117.643 121.434 -3.791 25508 6331 1 14 . 1 1 22 22 LEU CA C 22 51.462 51.462 51.830 -0.368 25508 6332 1 14 . 1 1 22 22 LEU CB C 22 46.011 46.011 42.846 3.165 25508 6333 1 14 . 1 1 22 22 LEU H H 22 6.788 6.788 7.812 -1.024 25508 6334 1 14 . 1 1 24 24 GLY N N 24 105.443 105.443 108.751 -3.308 25508 6335 1 14 . 1 1 24 24 GLY C C 24 175.297 175.297 175.908 -0.611 25508 6336 1 14 . 1 1 24 24 GLY CA C 24 45.381 45.381 44.296 1.085 25508 6337 1 14 . 1 1 24 24 GLY H H 24 8.367 8.367 7.848 0.519 25508 6338 1 14 . 1 1 25 25 GLU N N 25 122.031 122.031 119.394 2.637 25508 6339 1 14 . 1 1 25 25 GLU HA H 25 3.887 3.887 4.156 -0.269 25508 6340 1 14 . 1 1 25 25 GLU C C 25 179.015 179.015 178.541 0.474 25508 6341 1 14 . 1 1 25 25 GLU CA C 25 59.283 59.283 58.345 0.938 25508 6342 1 14 . 1 1 25 25 GLU CB C 25 29.176 29.176 29.617 -0.441 25508 6343 1 14 . 1 1 25 25 GLU H H 25 8.737 8.737 8.677 0.060 25508 6344 1 14 . 1 1 26 26 LEU N N 26 120.531 120.531 121.677 -1.146 25508 6345 1 14 . 1 1 26 26 LEU HA H 26 4.104 4.104 3.823 0.281 25508 6346 1 14 . 1 1 26 26 LEU C C 26 178.836 178.836 178.536 0.300 25508 6347 1 14 . 1 1 26 26 LEU CA C 26 57.981 57.981 57.556 0.425 25508 6348 1 14 . 1 1 26 26 LEU CB C 26 40.939 40.939 41.594 -0.656 25508 6349 1 14 . 1 1 26 26 LEU H H 26 8.852 8.852 8.226 0.626 25508 6350 1 14 . 1 1 27 27 GLY N N 27 102.599 102.599 104.769 -2.170 25508 6351 1 14 . 1 1 27 27 GLY C C 27 175.874 175.874 175.860 0.014 25508 6352 1 14 . 1 1 27 27 GLY CA C 27 48.024 48.024 47.013 1.011 25508 6353 1 14 . 1 1 27 27 GLY H H 27 6.894 6.894 8.257 -1.363 25508 6354 1 14 . 1 1 28 28 LYS N N 28 122.738 122.738 120.815 1.923 25508 6355 1 14 . 1 1 28 28 LYS HA H 28 3.914 3.914 4.385 -0.471 25508 6356 1 14 . 1 1 28 28 LYS C C 28 177.965 177.965 178.469 -0.504 25508 6357 1 14 . 1 1 28 28 LYS CA C 28 59.844 59.844 58.800 1.044 25508 6358 1 14 . 1 1 28 28 LYS CB C 28 32.169 32.169 32.550 -0.381 25508 6359 1 14 . 1 1 28 28 LYS H H 28 7.449 7.449 7.608 -0.159 25508 6360 1 14 . 1 1 29 29 ARG N N 29 119.988 119.988 116.825 3.163 25508 6361 1 14 . 1 1 29 29 ARG HA H 29 3.998 3.998 4.300 -0.302 25508 6362 1 14 . 1 1 29 29 ARG CA C 29 59.876 59.876 57.697 2.179 25508 6363 1 14 . 1 1 29 29 ARG CB C 29 30.829 30.829 30.597 0.232 25508 6364 1 14 . 1 1 29 29 ARG H H 29 8.194 8.194 7.651 0.543 25508 6365 1 14 . 1 1 30 30 LEU N N 30 119.547 119.547 121.111 -1.564 25508 6366 1 14 . 1 1 30 30 LEU HA H 30 3.849 3.849 4.178 -0.329 25508 6367 1 14 . 1 1 30 30 LEU C C 30 177.351 177.351 178.422 -1.071 25508 6368 1 14 . 1 1 30 30 LEU CA C 30 58.068 58.068 58.080 -0.011 25508 6369 1 14 . 1 1 30 30 LEU CB C 30 41.547 41.547 42.324 -0.777 25508 6370 1 14 . 1 1 30 30 LEU H H 30 8.333 8.333 8.056 0.277 25508 6371 1 14 . 1 1 31 31 TYR N N 31 118.033 118.033 117.952 0.081 25508 6372 1 14 . 1 1 31 31 TYR HA H 31 3.895 3.895 4.233 -0.338 25508 6373 1 14 . 1 1 31 31 TYR C C 31 178.434 178.434 176.100 2.334 25508 6374 1 14 . 1 1 31 31 TYR CA C 31 61.391 61.391 60.637 0.754 25508 6375 1 14 . 1 1 31 31 TYR CB C 31 39.083 39.083 37.960 1.123 25508 6376 1 14 . 1 1 31 31 TYR H H 31 8.106 8.106 8.151 -0.045 25508 6377 1 14 . 1 1 32 32 GLU N N 32 117.126 117.126 115.555 1.571 25508 6378 1 14 . 1 1 32 32 GLU HA H 32 3.926 3.926 3.914 0.012 25508 6379 1 14 . 1 1 32 32 GLU C C 32 178.370 178.370 176.277 2.093 25508 6380 1 14 . 1 1 32 32 GLU CA C 32 58.603 58.603 56.116 2.487 25508 6381 1 14 . 1 1 32 32 GLU CB C 32 30.580 30.580 28.528 2.052 25508 6382 1 14 . 1 1 32 32 GLU H H 32 8.260 8.260 7.866 0.394 25508 6383 1 14 . 1 1 33 33 SER N N 33 108.887 108.887 113.797 -4.910 25508 6384 1 14 . 1 1 33 33 SER HA H 33 4.910 4.910 4.488 0.422 25508 6385 1 14 . 1 1 33 33 SER C C 33 171.776 171.776 173.907 -2.131 25508 6386 1 14 . 1 1 33 33 SER CA C 33 60.399 60.399 60.083 0.316 25508 6387 1 14 . 1 1 33 33 SER CB C 33 67.057 67.057 65.783 1.274 25508 6388 1 14 . 1 1 33 33 SER H H 33 7.553 7.553 7.520 0.033 25508 6389 1 14 . 1 1 34 34 VAL N N 34 120.097 120.097 118.455 1.642 25508 6390 1 14 . 1 1 34 34 VAL CA C 34 61.287 61.287 60.313 0.974 25508 6391 1 14 . 1 1 34 34 VAL CB C 34 34.048 34.048 32.854 1.194 25508 6392 1 14 . 1 1 34 34 VAL H H 34 8.396 8.396 8.011 0.385 25508 6393 1 14 . 1 1 35 35 SER HA H 35 4.107 4.107 4.897 -0.790 25508 6394 1 14 . 1 1 35 35 SER C C 35 174.321 174.321 174.151 0.170 25508 6395 1 14 . 1 1 35 35 SER CA C 35 58.771 58.771 57.071 1.700 25508 6396 1 14 . 1 1 35 35 SER CB C 35 66.899 66.899 65.957 0.942 25508 6397 1 14 . 1 1 36 36 LYS N N 36 119.115 119.115 121.296 -2.181 25508 6398 1 14 . 1 1 36 36 LYS HA H 36 4.016 4.016 4.253 -0.237 25508 6399 1 14 . 1 1 36 36 LYS C C 36 179.407 179.407 178.358 1.049 25508 6400 1 14 . 1 1 36 36 LYS CA C 36 60.728 60.728 58.939 1.789 25508 6401 1 14 . 1 1 36 36 LYS CB C 36 32.746 32.746 32.749 -0.003 25508 6402 1 14 . 1 1 36 36 LYS H H 36 8.562 8.562 8.687 -0.125 25508 6403 1 14 . 1 1 37 37 GLN N N 37 118.142 118.142 118.940 -0.798 25508 6404 1 14 . 1 1 37 37 GLN HA H 37 3.970 3.970 4.167 -0.197 25508 6405 1 14 . 1 1 37 37 GLN C C 37 177.580 177.580 177.757 -0.177 25508 6406 1 14 . 1 1 37 37 GLN CA C 37 59.134 59.134 58.584 0.550 25508 6407 1 14 . 1 1 37 37 GLN CB C 37 28.534 28.534 28.246 0.288 25508 6408 1 14 . 1 1 37 37 GLN H H 37 8.958 8.958 8.524 0.434 25508 6409 1 14 . 1 1 38 38 ALA N N 38 121.173 121.173 120.745 0.428 25508 6410 1 14 . 1 1 38 38 ALA HA H 38 4.409 4.409 4.355 0.054 25508 6411 1 14 . 1 1 38 38 ALA C C 38 181.081 181.081 178.845 2.236 25508 6412 1 14 . 1 1 38 38 ALA CA C 38 55.065 55.065 52.606 2.459 25508 6413 1 14 . 1 1 38 38 ALA CB C 38 19.574 19.574 18.285 1.289 25508 6414 1 14 . 1 1 38 38 ALA H H 38 8.233 8.233 8.237 -0.004 25508 6415 1 14 . 1 1 39 39 TRP N N 39 121.046 121.046 121.057 -0.011 25508 6416 1 14 . 1 1 39 39 TRP HA H 39 4.898 4.898 4.389 0.509 25508 6417 1 14 . 1 1 39 39 TRP C C 39 176.886 176.886 176.980 -0.094 25508 6418 1 14 . 1 1 39 39 TRP CA C 39 60.403 60.403 60.405 -0.002 25508 6419 1 14 . 1 1 39 39 TRP CB C 39 30.640 30.640 29.617 1.022 25508 6420 1 14 . 1 1 39 39 TRP H H 39 8.891 8.891 7.933 0.958 25508 6421 1 14 . 1 1 40 40 GLN N N 40 117.010 117.010 115.786 1.224 25508 6422 1 14 . 1 1 40 40 GLN HA H 40 3.715 3.715 3.615 0.100 25508 6423 1 14 . 1 1 40 40 GLN C C 40 179.512 179.512 178.184 1.328 25508 6424 1 14 . 1 1 40 40 GLN CA C 40 59.159 59.159 59.172 -0.013 25508 6425 1 14 . 1 1 40 40 GLN CB C 40 27.821 27.821 28.050 -0.230 25508 6426 1 14 . 1 1 40 40 GLN H H 40 8.541 8.541 7.998 0.543 25508 6427 1 14 . 1 1 41 41 ASP N N 41 120.036 120.036 119.684 0.352 25508 6428 1 14 . 1 1 41 41 ASP HA H 41 4.396 4.396 4.470 -0.074 25508 6429 1 14 . 1 1 41 41 ASP C C 41 179.637 179.637 178.032 1.605 25508 6430 1 14 . 1 1 41 41 ASP CA C 41 57.571 57.571 56.719 0.852 25508 6431 1 14 . 1 1 41 41 ASP CB C 41 40.205 40.205 41.091 -0.886 25508 6432 1 14 . 1 1 41 41 ASP H H 41 8.119 8.119 7.877 0.242 25508 6433 1 14 . 1 1 42 42 TRP N N 42 123.295 123.295 122.170 1.125 25508 6434 1 14 . 1 1 42 42 TRP HA H 42 3.992 3.992 4.483 -0.491 25508 6435 1 14 . 1 1 42 42 TRP C C 42 176.559 176.559 177.939 -1.380 25508 6436 1 14 . 1 1 42 42 TRP CA C 42 58.825 58.825 59.634 -0.809 25508 6437 1 14 . 1 1 42 42 TRP CB C 42 30.101 30.101 29.861 0.240 25508 6438 1 14 . 1 1 42 42 TRP H H 42 8.015 8.015 7.889 0.126 25508 6439 1 14 . 1 1 43 43 LEU N N 43 118.444 118.444 118.152 0.292 25508 6440 1 14 . 1 1 43 43 LEU HA H 43 3.073 3.073 3.734 -0.661 25508 6441 1 14 . 1 1 43 43 LEU C C 43 180.127 180.127 178.094 2.033 25508 6442 1 14 . 1 1 43 43 LEU CA C 43 57.710 57.710 57.402 0.308 25508 6443 1 14 . 1 1 43 43 LEU CB C 43 40.675 40.675 40.662 0.013 25508 6444 1 14 . 1 1 43 43 LEU H H 43 8.027 8.027 7.868 0.159 25508 6445 1 14 . 1 1 44 44 LYS N N 44 117.577 117.577 119.870 -2.293 25508 6446 1 14 . 1 1 44 44 LYS HA H 44 3.871 3.871 3.710 0.161 25508 6447 1 14 . 1 1 44 44 LYS C C 44 179.010 179.010 178.820 0.190 25508 6448 1 14 . 1 1 44 44 LYS CA C 44 59.496 59.496 59.745 -0.249 25508 6449 1 14 . 1 1 44 44 LYS CB C 44 32.301 32.301 32.250 0.051 25508 6450 1 14 . 1 1 44 44 LYS H H 44 7.065 7.065 7.567 -0.502 25508 6451 1 14 . 1 1 45 45 GLN N N 45 120.755 120.755 116.801 3.954 25508 6452 1 14 . 1 1 45 45 GLN HA H 45 3.834 3.834 4.047 -0.213 25508 6453 1 14 . 1 1 45 45 GLN C C 45 177.807 177.807 178.193 -0.386 25508 6454 1 14 . 1 1 45 45 GLN CA C 45 57.760 57.760 58.393 -0.633 25508 6455 1 14 . 1 1 45 45 GLN CB C 45 27.623 27.623 27.683 -0.060 25508 6456 1 14 . 1 1 45 45 GLN H H 45 7.033 7.033 7.781 -0.748 25508 6457 1 14 . 1 1 46 46 GLN N N 46 120.768 120.768 119.408 1.360 25508 6458 1 14 . 1 1 46 46 GLN HA H 46 3.065 3.065 3.950 -0.885 25508 6459 1 14 . 1 1 46 46 GLN C C 46 177.167 177.167 178.388 -1.221 25508 6460 1 14 . 1 1 46 46 GLN CA C 46 59.136 59.136 59.563 -0.427 25508 6461 1 14 . 1 1 46 46 GLN CB C 46 28.416 28.416 28.352 0.064 25508 6462 1 14 . 1 1 46 46 GLN H H 46 8.346 8.346 7.574 0.772 25508 6463 1 14 . 1 1 47 47 THR N N 47 114.925 114.925 114.223 0.702 25508 6464 1 14 . 1 1 47 47 THR HA H 47 3.690 3.690 4.252 -0.562 25508 6465 1 14 . 1 1 47 47 THR C C 47 175.615 175.615 176.189 -0.574 25508 6466 1 14 . 1 1 47 47 THR CA C 47 66.804 66.804 65.677 1.127 25508 6467 1 14 . 1 1 47 47 THR CB C 47 68.895 68.895 68.524 0.371 25508 6468 1 14 . 1 1 47 47 THR H H 47 7.629 7.629 7.565 0.064 25508 6469 1 14 . 1 1 48 48 MET N N 48 120.050 120.050 121.351 -1.301 25508 6470 1 14 . 1 1 48 48 MET HA H 48 4.117 4.117 4.229 -0.112 25508 6471 1 14 . 1 1 48 48 MET C C 48 177.928 177.928 178.378 -0.450 25508 6472 1 14 . 1 1 48 48 MET CA C 48 59.041 59.041 59.583 -0.542 25508 6473 1 14 . 1 1 48 48 MET CB C 48 31.985 31.985 32.562 -0.577 25508 6474 1 14 . 1 1 48 48 MET H H 48 7.077 7.077 7.497 -0.420 25508 6475 1 14 . 1 1 49 49 LEU N N 49 120.156 120.156 120.186 -0.030 25508 6476 1 14 . 1 1 49 49 LEU HA H 49 3.991 3.991 4.260 -0.269 25508 6477 1 14 . 1 1 49 49 LEU C C 49 180.284 180.284 179.410 0.874 25508 6478 1 14 . 1 1 49 49 LEU CA C 49 58.157 58.157 57.314 0.843 25508 6479 1 14 . 1 1 49 49 LEU CB C 49 42.723 42.723 41.771 0.952 25508 6480 1 14 . 1 1 49 49 LEU H H 49 7.982 7.982 8.571 -0.589 25508 6481 1 14 . 1 1 50 50 ILE N N 50 119.987 119.987 119.593 0.394 25508 6482 1 14 . 1 1 50 50 ILE HA H 50 3.487 3.487 3.538 -0.051 25508 6483 1 14 . 1 1 50 50 ILE C C 50 178.074 178.074 177.640 0.434 25508 6484 1 14 . 1 1 50 50 ILE CA C 50 65.734 65.734 65.670 0.064 25508 6485 1 14 . 1 1 50 50 ILE CB C 50 38.622 38.622 37.550 1.072 25508 6486 1 14 . 1 1 50 50 ILE H H 50 8.275 8.275 7.696 0.579 25508 6487 1 14 . 1 1 51 51 ASN N N 51 117.331 117.331 116.420 0.911 25508 6488 1 14 . 1 1 51 51 ASN HA H 51 4.493 4.493 4.435 0.058 25508 6489 1 14 . 1 1 51 51 ASN C C 51 178.621 178.621 177.001 1.620 25508 6490 1 14 . 1 1 51 51 ASN CA C 51 55.787 55.787 56.347 -0.560 25508 6491 1 14 . 1 1 51 51 ASN CB C 51 38.273 38.273 38.877 -0.604 25508 6492 1 14 . 1 1 51 51 ASN H H 51 7.902 7.902 7.799 0.103 25508 6493 1 14 . 1 1 52 52 GLU N N 52 120.128 120.128 120.846 -0.718 25508 6494 1 14 . 1 1 52 52 GLU HA H 52 4.006 4.006 4.108 -0.102 25508 6495 1 14 . 1 1 52 52 GLU C C 52 177.628 177.628 177.987 -0.359 25508 6496 1 14 . 1 1 52 52 GLU CA C 52 59.034 59.034 59.027 0.007 25508 6497 1 14 . 1 1 52 52 GLU CB C 52 29.714 29.714 29.773 -0.059 25508 6498 1 14 . 1 1 52 52 GLU H H 52 8.958 8.958 7.944 1.014 25508 6499 1 14 . 1 1 53 53 ASN N N 53 112.872 112.872 116.804 -3.932 25508 6500 1 14 . 1 1 53 53 ASN HA H 53 4.666 4.666 4.560 0.106 25508 6501 1 14 . 1 1 53 53 ASN C C 53 173.022 173.022 175.794 -2.772 25508 6502 1 14 . 1 1 53 53 ASN CA C 53 53.416 53.416 54.280 -0.864 25508 6503 1 14 . 1 1 53 53 ASN CB C 53 38.938 38.938 38.829 0.109 25508 6504 1 14 . 1 1 53 53 ASN H H 53 7.535 7.535 8.111 -0.576 25508 6505 1 14 . 1 1 54 54 ARG N N 54 118.579 118.579 116.777 1.802 25508 6506 1 14 . 1 1 54 54 ARG HA H 54 3.975 3.975 4.094 -0.119 25508 6507 1 14 . 1 1 54 54 ARG C C 54 176.170 176.170 175.212 0.958 25508 6508 1 14 . 1 1 54 54 ARG CA C 54 56.615 56.615 56.533 0.082 25508 6509 1 14 . 1 1 54 54 ARG CB C 54 27.180 27.180 27.780 -0.600 25508 6510 1 14 . 1 1 54 54 ARG H H 54 7.696 7.696 7.606 0.090 25508 6511 1 14 . 1 1 55 55 LEU N N 55 116.705 116.705 118.938 -2.233 25508 6512 1 14 . 1 1 55 55 LEU HA H 55 4.097 4.097 4.297 -0.200 25508 6513 1 14 . 1 1 55 55 LEU C C 55 176.242 176.242 176.822 -0.580 25508 6514 1 14 . 1 1 55 55 LEU CA C 55 55.099 55.099 53.950 1.149 25508 6515 1 14 . 1 1 55 55 LEU CB C 55 42.694 42.694 43.047 -0.353 25508 6516 1 14 . 1 1 55 55 LEU H H 55 7.927 7.927 7.593 0.334 25508 6517 1 14 . 1 1 56 56 ASN N N 56 120.616 120.616 119.128 1.488 25508 6518 1 14 . 1 1 56 56 ASN HA H 56 4.708 4.708 4.951 -0.243 25508 6519 1 14 . 1 1 56 56 ASN C C 56 176.058 176.058 175.807 0.251 25508 6520 1 14 . 1 1 56 56 ASN CA C 56 51.440 51.440 51.784 -0.344 25508 6521 1 14 . 1 1 56 56 ASN CB C 56 38.554 38.554 38.309 0.245 25508 6522 1 14 . 1 1 56 56 ASN H H 56 8.530 8.530 8.552 -0.022 25508 6523 1 14 . 1 1 57 57 MET N N 57 121.659 121.659 123.935 -2.276 25508 6524 1 14 . 1 1 57 57 MET HA H 57 4.341 4.341 4.068 0.273 25508 6525 1 14 . 1 1 57 57 MET C C 57 176.694 176.694 177.585 -0.891 25508 6526 1 14 . 1 1 57 57 MET CA C 57 55.717 55.717 58.908 -3.191 25508 6527 1 14 . 1 1 57 57 MET CB C 57 30.266 30.266 32.460 -2.194 25508 6528 1 14 . 1 1 57 57 MET H H 57 8.628 8.628 8.659 -0.031 25508 6529 1 14 . 1 1 58 58 ALA N N 58 120.515 120.515 121.239 -0.724 25508 6530 1 14 . 1 1 58 58 ALA HA H 58 4.267 4.267 4.090 0.177 25508 6531 1 14 . 1 1 58 58 ALA C C 58 177.625 177.625 178.060 -0.435 25508 6532 1 14 . 1 1 58 58 ALA CA C 58 52.643 52.643 53.701 -1.058 25508 6533 1 14 . 1 1 58 58 ALA CB C 58 18.667 18.667 18.777 -0.110 25508 6534 1 14 . 1 1 58 58 ALA H H 58 7.988 7.988 7.944 0.044 25508 6535 1 14 . 1 1 59 59 ASP N N 59 121.926 121.926 116.594 5.332 25508 6536 1 14 . 1 1 59 59 ASP CA C 59 50.871 50.871 51.435 -0.564 25508 6537 1 14 . 1 1 59 59 ASP CB C 59 42.450 42.450 41.552 0.898 25508 6538 1 14 . 1 1 59 59 ASP H H 59 8.024 8.024 7.787 0.237 25508 6539 1 14 . 1 1 60 60 PRO HA H 60 4.186 4.186 4.330 -0.144 25508 6540 1 14 . 1 1 60 60 PRO C C 60 179.232 179.232 178.424 0.808 25508 6541 1 14 . 1 1 60 60 PRO CA C 60 65.347 65.347 64.519 0.828 25508 6542 1 14 . 1 1 60 60 PRO CB C 60 32.399 32.399 32.535 -0.136 25508 6543 1 14 . 1 1 61 61 ARG N N 61 117.390 117.390 119.588 -2.198 25508 6544 1 14 . 1 1 61 61 ARG HA H 61 4.107 4.107 4.032 0.075 25508 6545 1 14 . 1 1 61 61 ARG C C 61 179.817 179.817 178.197 1.620 25508 6546 1 14 . 1 1 61 61 ARG CA C 61 59.098 59.098 59.675 -0.577 25508 6547 1 14 . 1 1 61 61 ARG CB C 61 29.670 29.670 28.944 0.726 25508 6548 1 14 . 1 1 61 61 ARG H H 61 8.597 8.597 8.498 0.099 25508 6549 1 14 . 1 1 62 62 ALA N N 62 124.172 124.172 120.133 4.039 25508 6550 1 14 . 1 1 62 62 ALA HA H 62 4.201 4.201 4.174 0.027 25508 6551 1 14 . 1 1 62 62 ALA C C 62 179.726 179.726 179.921 -0.195 25508 6552 1 14 . 1 1 62 62 ALA CA C 62 55.011 55.011 54.663 0.348 25508 6553 1 14 . 1 1 62 62 ALA CB C 62 19.251 19.251 18.453 0.798 25508 6554 1 14 . 1 1 62 62 ALA H H 62 7.597 7.597 7.824 -0.227 25508 6555 1 14 . 1 1 63 63 ARG N N 63 116.483 116.483 117.566 -1.083 25508 6556 1 14 . 1 1 63 63 ARG HA H 63 3.985 3.985 4.303 -0.318 25508 6557 1 14 . 1 1 63 63 ARG C C 63 179.234 179.234 178.491 0.743 25508 6558 1 14 . 1 1 63 63 ARG CA C 63 60.029 60.029 58.403 1.626 25508 6559 1 14 . 1 1 63 63 ARG CB C 63 29.806 29.806 30.340 -0.534 25508 6560 1 14 . 1 1 63 63 ARG H H 63 7.640 7.640 8.029 -0.389 25508 6561 1 14 . 1 1 64 64 GLN N N 64 119.143 119.143 119.379 -0.236 25508 6562 1 14 . 1 1 64 64 GLN HA H 64 4.095 4.095 4.113 -0.018 25508 6563 1 14 . 1 1 64 64 GLN C C 64 178.261 178.261 176.477 1.784 25508 6564 1 14 . 1 1 64 64 GLN CA C 64 59.183 59.183 58.665 0.518 25508 6565 1 14 . 1 1 64 64 GLN CB C 64 28.266 28.266 28.912 -0.646 25508 6566 1 14 . 1 1 64 64 GLN H H 64 8.114 8.114 7.981 0.133 25508 6567 1 14 . 1 1 65 65 TYR N N 65 121.413 121.413 117.191 4.222 25508 6568 1 14 . 1 1 65 65 TYR HA H 65 4.321 4.321 4.425 -0.104 25508 6569 1 14 . 1 1 65 65 TYR C C 65 180.478 180.478 177.501 2.977 25508 6570 1 14 . 1 1 65 65 TYR CA C 65 61.407 61.407 60.345 1.062 25508 6571 1 14 . 1 1 65 65 TYR CB C 65 37.831 37.831 39.521 -1.690 25508 6572 1 14 . 1 1 65 65 TYR H H 65 7.929 7.929 7.719 0.210 25508 6573 1 14 . 1 1 66 66 LEU N N 66 119.499 119.499 121.314 -1.815 25508 6574 1 14 . 1 1 66 66 LEU HA H 66 3.870 3.870 3.871 -0.001 25508 6575 1 14 . 1 1 66 66 LEU C C 66 180.847 180.847 178.996 1.851 25508 6576 1 14 . 1 1 66 66 LEU CA C 66 57.959 57.959 57.959 0.000 25508 6577 1 14 . 1 1 66 66 LEU CB C 66 41.522 41.522 42.004 -0.482 25508 6578 1 14 . 1 1 66 66 LEU H H 66 8.328 8.328 7.657 0.671 25508 6579 1 14 . 1 1 67 67 MET N N 67 122.316 122.316 114.966 7.350 25508 6580 1 14 . 1 1 67 67 MET HA H 67 4.100 4.100 4.278 -0.178 25508 6581 1 14 . 1 1 67 67 MET C C 67 178.402 178.402 177.372 1.030 25508 6582 1 14 . 1 1 67 67 MET CA C 67 59.693 59.693 58.492 1.201 25508 6583 1 14 . 1 1 67 67 MET CB C 67 32.202 32.202 32.038 0.164 25508 6584 1 14 . 1 1 67 67 MET H H 67 8.480 8.480 7.825 0.655 25508 6585 1 14 . 1 1 68 68 LYS N N 68 120.460 120.460 117.361 3.099 25508 6586 1 14 . 1 1 68 68 LYS HA H 68 4.160 4.160 4.206 -0.046 25508 6587 1 14 . 1 1 68 68 LYS C C 68 179.963 179.963 179.138 0.825 25508 6588 1 14 . 1 1 68 68 LYS CA C 68 58.857 58.857 58.108 0.749 25508 6589 1 14 . 1 1 68 68 LYS CB C 68 31.276 31.276 31.713 -0.437 25508 6590 1 14 . 1 1 68 68 LYS H H 68 8.024 8.024 7.820 0.204 25508 6591 1 14 . 1 1 69 69 GLN N N 69 117.834 117.834 119.278 -1.444 25508 6592 1 14 . 1 1 69 69 GLN HA H 69 3.858 3.858 4.264 -0.406 25508 6593 1 14 . 1 1 69 69 GLN C C 69 178.013 178.013 177.204 0.809 25508 6594 1 14 . 1 1 69 69 GLN CA C 69 58.097 58.097 58.139 -0.042 25508 6595 1 14 . 1 1 69 69 GLN CB C 69 27.601 27.601 28.683 -1.082 25508 6596 1 14 . 1 1 69 69 GLN H H 69 8.281 8.281 8.043 0.238 25508 6597 1 14 . 1 1 70 70 THR N N 70 119.066 119.066 115.991 3.075 25508 6598 1 14 . 1 1 70 70 THR HA H 70 2.666 2.666 4.134 -1.468 25508 6599 1 14 . 1 1 70 70 THR C C 70 175.189 175.189 175.692 -0.503 25508 6600 1 14 . 1 1 70 70 THR CA C 70 66.732 66.732 66.396 0.336 25508 6601 1 14 . 1 1 70 70 THR CB C 70 68.451 68.451 68.912 -0.461 25508 6602 1 14 . 1 1 70 70 THR H H 70 8.245 8.245 7.767 0.478 25508 6603 1 14 . 1 1 71 71 GLU N N 71 121.112 121.112 121.773 -0.661 25508 6604 1 14 . 1 1 71 71 GLU HA H 71 3.873 3.873 4.160 -0.287 25508 6605 1 14 . 1 1 71 71 GLU C C 71 177.903 177.903 178.292 -0.389 25508 6606 1 14 . 1 1 71 71 GLU CA C 71 60.325 60.325 59.301 1.024 25508 6607 1 14 . 1 1 71 71 GLU CB C 71 30.065 30.065 29.895 0.170 25508 6608 1 14 . 1 1 71 71 GLU H H 71 7.872 7.872 8.273 -0.401 25508 6609 1 14 . 1 1 72 72 LYS N N 72 118.112 118.112 118.170 -0.058 25508 6610 1 14 . 1 1 72 72 LYS HA H 72 3.853 3.853 4.101 -0.248 25508 6611 1 14 . 1 1 72 72 LYS C C 72 178.447 178.447 178.727 -0.280 25508 6612 1 14 . 1 1 72 72 LYS CA C 72 59.199 59.199 58.483 0.716 25508 6613 1 14 . 1 1 72 72 LYS CB C 72 32.705 32.705 31.860 0.845 25508 6614 1 14 . 1 1 72 72 LYS H H 72 7.932 7.932 7.691 0.241 25508 6615 1 14 . 1 1 73 73 TYR N N 73 119.703 119.703 118.555 1.148 25508 6616 1 14 . 1 1 73 73 TYR HA H 73 3.704 3.704 4.247 -0.543 25508 6617 1 14 . 1 1 73 73 TYR C C 73 176.953 176.953 177.637 -0.684 25508 6618 1 14 . 1 1 73 73 TYR CA C 73 61.540 61.540 61.283 0.257 25508 6619 1 14 . 1 1 73 73 TYR CB C 73 38.266 38.266 38.622 -0.356 25508 6620 1 14 . 1 1 73 73 TYR H H 73 7.800 7.800 7.678 0.122 25508 6621 1 14 . 1 1 74 74 PHE N N 74 111.749 111.749 118.387 -6.638 25508 6622 1 14 . 1 1 74 74 PHE HA H 74 3.886 3.886 4.414 -0.528 25508 6623 1 14 . 1 1 74 74 PHE C C 74 176.300 176.300 177.573 -1.273 25508 6624 1 14 . 1 1 74 74 PHE CA C 74 61.784 61.784 59.538 2.246 25508 6625 1 14 . 1 1 74 74 PHE CB C 74 39.690 39.690 39.690 -0.000 25508 6626 1 14 . 1 1 74 74 PHE H H 74 7.139 7.139 8.000 -0.861 25508 6627 1 14 . 1 1 75 75 PHE N N 75 114.845 114.845 117.758 -2.913 25508 6628 1 14 . 1 1 75 75 PHE HA H 75 5.009 5.009 4.062 0.947 25508 6629 1 14 . 1 1 75 75 PHE C C 75 176.448 176.448 175.919 0.529 25508 6630 1 14 . 1 1 75 75 PHE CA C 75 56.575 56.575 59.821 -3.246 25508 6631 1 14 . 1 1 75 75 PHE CB C 75 40.353 40.353 38.402 1.951 25508 6632 1 14 . 1 1 75 75 PHE H H 75 8.275 8.275 8.016 0.259 25508 6633 1 14 . 1 1 76 76 GLY N N 76 109.977 109.977 107.102 2.875 25508 6634 1 14 . 1 1 76 76 GLY C C 76 173.602 173.602 174.303 -0.701 25508 6635 1 14 . 1 1 76 76 GLY CA C 76 45.375 45.375 45.233 0.142 25508 6636 1 14 . 1 1 76 76 GLY H H 76 7.836 7.836 7.590 0.246 25508 6637 1 14 . 1 1 77 77 GLU N N 77 120.068 120.068 121.675 -1.607 25508 6638 1 14 . 1 1 77 77 GLU HA H 77 4.259 4.259 3.923 0.336 25508 6639 1 14 . 1 1 77 77 GLU C C 77 176.925 176.925 177.659 -0.734 25508 6640 1 14 . 1 1 77 77 GLU CA C 77 56.647 56.647 57.319 -0.673 25508 6641 1 14 . 1 1 77 77 GLU CB C 77 30.694 30.694 29.740 0.954 25508 6642 1 14 . 1 1 77 77 GLU H H 77 8.445 8.445 8.138 0.307 25508 6643 1 14 . 1 1 78 78 GLY N N 78 110.135 110.135 108.031 2.104 25508 6644 1 14 . 1 1 78 78 GLY C C 78 174.241 174.241 174.078 0.163 25508 6645 1 14 . 1 1 78 78 GLY CA C 78 45.368 45.368 44.489 0.879 25508 6646 1 14 . 1 1 78 78 GLY H H 78 8.457 8.457 7.737 0.720 25508 6647 1 14 . 1 1 79 79 ALA N N 79 123.773 123.773 126.085 -2.312 25508 6648 1 14 . 1 1 79 79 ALA HA H 79 4.208 4.208 4.218 -0.010 25508 6649 1 14 . 1 1 79 79 ALA C C 79 177.657 177.657 177.618 0.039 25508 6650 1 14 . 1 1 79 79 ALA CA C 79 52.782 52.782 52.401 0.381 25508 6651 1 14 . 1 1 79 79 ALA CB C 79 19.145 19.145 20.308 -1.163 25508 6652 1 14 . 1 1 79 79 ALA H H 79 8.195 8.195 8.007 0.188 25508 6653 1 14 . 1 1 80 80 ASP N N 80 118.833 118.833 117.948 0.885 25508 6654 1 14 . 1 1 80 80 ASP HA H 80 4.473 4.473 4.862 -0.389 25508 6655 1 14 . 1 1 80 80 ASP C C 80 176.374 176.374 175.472 0.902 25508 6656 1 14 . 1 1 80 80 ASP CA C 80 54.383 54.383 53.436 0.947 25508 6657 1 14 . 1 1 80 80 ASP CB C 80 40.940 40.940 42.406 -1.466 25508 6658 1 14 . 1 1 80 80 ASP H H 80 8.347 8.347 8.358 -0.011 25508 6659 1 14 . 1 1 81 81 GLN N N 81 120.376 120.376 118.268 2.108 25508 6660 1 14 . 1 1 81 81 GLN HA H 81 4.225 4.225 4.534 -0.309 25508 6661 1 14 . 1 1 81 81 GLN C C 81 176.029 176.029 174.791 1.238 25508 6662 1 14 . 1 1 81 81 GLN CA C 81 55.969 55.969 54.586 1.383 25508 6663 1 14 . 1 1 81 81 GLN CB C 81 29.242 29.242 30.935 -1.693 25508 6664 1 14 . 1 1 81 81 GLN H H 81 8.188 8.188 8.313 -0.125 25508 6665 1 14 . 1 1 82 82 ALA N N 82 124.734 124.734 122.371 2.363 25508 6666 1 14 . 1 1 82 82 ALA HA H 82 4.271 4.271 4.563 -0.292 25508 6667 1 14 . 1 1 82 82 ALA C C 82 178.011 178.011 175.638 2.373 25508 6668 1 14 . 1 1 82 82 ALA CA C 82 52.680 52.680 52.431 0.249 25508 6669 1 14 . 1 1 82 82 ALA CB C 82 19.023 19.023 19.514 -0.491 25508 6670 1 14 . 1 1 82 82 ALA H H 82 8.307 8.307 8.483 -0.176 25508 6671 1 14 . 1 1 83 83 SER N N 83 114.999 114.999 117.892 -2.893 25508 6672 1 14 . 1 1 83 83 SER HA H 83 4.368 4.368 4.873 -0.505 25508 6673 1 14 . 1 1 83 83 SER C C 83 175.141 175.141 173.975 1.166 25508 6674 1 14 . 1 1 83 83 SER CA C 83 58.843 58.843 58.158 0.685 25508 6675 1 14 . 1 1 83 83 SER CB C 83 63.849 63.849 64.138 -0.289 25508 6676 1 14 . 1 1 83 83 SER H H 83 8.269 8.269 8.310 -0.041 25508 6677 1 14 . 1 1 84 84 GLY N N 84 110.722 110.722 111.600 -0.878 25508 6678 1 14 . 1 1 84 84 GLY C C 84 173.457 173.457 173.339 0.118 25508 6679 1 14 . 1 1 84 84 GLY CA C 84 45.168 45.168 44.741 0.427 25508 6680 1 14 . 1 1 84 84 GLY H H 84 8.324 8.324 8.471 -0.147 25508 6681 1 14 . 1 1 85 85 TYR N N 85 121.054 121.054 118.872 2.182 25508 6682 1 14 . 1 1 85 85 TYR HA H 85 4.395 4.395 4.687 -0.292 25508 6683 1 14 . 1 1 85 85 TYR C C 85 174.866 174.866 175.526 -0.660 25508 6684 1 14 . 1 1 85 85 TYR CA C 85 58.433 58.433 58.666 -0.233 25508 6685 1 14 . 1 1 85 85 TYR CB C 85 38.856 38.856 39.504 -0.648 25508 6686 1 14 . 1 1 85 85 TYR H H 85 7.982 7.982 8.263 -0.281 25508 6687 1 14 . 1 1 86 86 VAL N N 86 127.973 127.973 122.855 5.118 25508 6688 1 14 . 1 1 86 86 VAL CA C 86 58.815 58.815 60.606 -1.791 25508 6689 1 14 . 1 1 86 86 VAL CB C 86 33.360 33.360 31.623 1.737 25508 6690 1 14 . 1 1 86 86 VAL H H 86 7.734 7.734 7.563 0.171 25508 6691 1 14 . 1 1 88 88 PRO HA H 88 4.320 4.320 4.277 0.043 25508 6692 1 14 . 1 1 88 88 PRO C C 88 176.654 176.654 176.397 0.257 25508 6693 1 14 . 1 1 88 88 PRO CA C 88 62.735 62.735 63.653 -0.918 25508 6694 1 14 . 1 1 88 88 PRO CB C 88 32.007 32.007 31.903 0.104 25508 6695 1 14 . 1 1 89 89 ALA N N 89 124.497 124.497 121.212 3.285 25508 6696 1 14 . 1 1 89 89 ALA HA H 89 4.213 4.213 4.154 0.059 25508 6697 1 14 . 1 1 89 89 ALA C C 89 177.739 177.739 178.519 -0.780 25508 6698 1 14 . 1 1 89 89 ALA CA C 89 52.564 52.564 52.819 -0.255 25508 6699 1 14 . 1 1 89 89 ALA CB C 89 19.103 19.103 16.994 2.109 25508 6700 1 14 . 1 1 89 89 ALA H H 89 8.332 8.332 8.155 0.177 25508 6701 1 14 . 1 1 90 90 GLN N N 90 119.712 119.712 118.182 1.530 25508 6702 1 14 . 1 1 90 90 GLN HA H 90 4.301 4.301 4.205 0.096 25508 6703 1 14 . 1 1 90 90 GLN C C 90 175.302 175.302 177.069 -1.767 25508 6704 1 14 . 1 1 90 90 GLN CA C 90 55.717 55.717 56.556 -0.839 25508 6705 1 14 . 1 1 90 90 GLN CB C 90 29.764 29.764 29.214 0.550 25508 6706 1 14 . 1 1 90 90 GLN H H 90 8.338 8.338 8.577 -0.239 25508 6707 1 15 . 1 1 2 2 ALA N N 2 125.581 125.581 125.440 0.141 25508 6708 1 15 . 1 1 2 2 ALA HA H 2 4.204 4.204 4.149 0.055 25508 6709 1 15 . 1 1 2 2 ALA C C 2 176.764 176.764 177.990 -1.226 25508 6710 1 15 . 1 1 2 2 ALA CA C 2 52.280 52.280 54.300 -2.020 25508 6711 1 15 . 1 1 2 2 ALA CB C 2 19.494 19.494 19.202 0.292 25508 6712 1 15 . 1 1 2 2 ALA H H 2 8.203 8.203 8.665 -0.462 25508 6713 1 15 . 1 1 3 3 ARG N N 3 123.058 123.058 115.092 7.966 25508 6714 1 15 . 1 1 3 3 ARG HA H 3 4.247 4.247 4.466 -0.219 25508 6715 1 15 . 1 1 3 3 ARG C C 3 174.914 174.914 174.106 0.808 25508 6716 1 15 . 1 1 3 3 ARG CA C 3 55.678 55.678 55.580 0.098 25508 6717 1 15 . 1 1 3 3 ARG CB C 3 31.276 31.276 32.693 -1.417 25508 6718 1 15 . 1 1 3 3 ARG H H 3 8.649 8.649 7.821 0.828 25508 6719 1 15 . 1 1 4 4 MET N N 4 125.010 125.010 118.774 6.236 25508 6720 1 15 . 1 1 4 4 MET HA H 4 4.966 4.966 4.761 0.205 25508 6721 1 15 . 1 1 4 4 MET C C 4 176.144 176.144 175.020 1.124 25508 6722 1 15 . 1 1 4 4 MET CA C 4 53.311 53.311 54.819 -1.508 25508 6723 1 15 . 1 1 4 4 MET CB C 4 32.120 32.120 33.480 -1.360 25508 6724 1 15 . 1 1 4 4 MET H H 4 8.427 8.427 8.436 -0.009 25508 6725 1 15 . 1 1 5 5 ILE N N 5 117.850 117.850 117.140 0.710 25508 6726 1 15 . 1 1 5 5 ILE HA H 5 4.623 4.623 4.592 0.031 25508 6727 1 15 . 1 1 5 5 ILE C C 5 174.207 174.207 173.557 0.650 25508 6728 1 15 . 1 1 5 5 ILE CA C 5 58.353 58.353 58.580 -0.227 25508 6729 1 15 . 1 1 5 5 ILE CB C 5 42.910 42.910 41.755 1.155 25508 6730 1 15 . 1 1 5 5 ILE H H 5 8.860 8.860 8.872 -0.012 25508 6731 1 15 . 1 1 6 6 HIS N N 6 120.378 120.378 117.460 2.918 25508 6732 1 15 . 1 1 6 6 HIS HA H 6 4.301 4.301 4.999 -0.698 25508 6733 1 15 . 1 1 6 6 HIS C C 6 173.087 173.087 174.953 -1.866 25508 6734 1 15 . 1 1 6 6 HIS CA C 6 56.131 56.131 53.830 2.301 25508 6735 1 15 . 1 1 6 6 HIS CB C 6 28.508 28.508 28.167 0.341 25508 6736 1 15 . 1 1 6 6 HIS H H 6 8.506 8.506 8.317 0.189 25508 6737 1 15 . 1 1 7 7 CYS N N 7 131.021 131.021 125.299 5.722 25508 6738 1 15 . 1 1 7 7 CYS HA H 7 4.154 4.154 4.111 0.043 25508 6739 1 15 . 1 1 7 7 CYS C C 7 177.621 177.621 175.126 2.495 25508 6740 1 15 . 1 1 7 7 CYS CA C 7 61.346 61.346 59.620 1.726 25508 6741 1 15 . 1 1 7 7 CYS CB C 7 31.004 31.004 27.332 3.672 25508 6742 1 15 . 1 1 7 7 CYS H H 7 7.873 7.873 8.229 -0.356 25508 6743 1 15 . 1 1 8 8 ALA N N 8 133.325 133.325 130.570 2.755 25508 6744 1 15 . 1 1 8 8 ALA HA H 8 4.229 4.229 3.988 0.241 25508 6745 1 15 . 1 1 8 8 ALA C C 8 178.608 178.608 176.760 1.848 25508 6746 1 15 . 1 1 8 8 ALA CA C 8 54.478 54.478 53.072 1.406 25508 6747 1 15 . 1 1 8 8 ALA CB C 8 19.264 19.264 17.658 1.606 25508 6748 1 15 . 1 1 8 8 ALA H H 8 9.543 9.543 7.822 1.721 25508 6749 1 15 . 1 1 9 9 LYS N N 9 122.128 122.128 117.738 4.390 25508 6750 1 15 . 1 1 9 9 LYS CA C 9 56.353 56.353 58.065 -1.712 25508 6751 1 15 . 1 1 9 9 LYS CB C 9 33.619 33.619 32.940 0.679 25508 6752 1 15 . 1 1 9 9 LYS H H 9 9.739 9.739 7.624 2.115 25508 6753 1 15 . 1 1 10 10 LEU HA H 10 4.194 4.194 4.641 -0.447 25508 6754 1 15 . 1 1 10 10 LEU C C 10 178.870 178.870 177.837 1.033 25508 6755 1 15 . 1 1 10 10 LEU CA C 10 55.934 55.934 55.205 0.729 25508 6756 1 15 . 1 1 10 10 LEU CB C 10 42.693 42.693 43.101 -0.408 25508 6757 1 15 . 1 1 11 11 GLY N N 11 107.385 107.385 104.615 2.770 25508 6758 1 15 . 1 1 11 11 GLY C C 11 173.268 173.268 173.929 -0.661 25508 6759 1 15 . 1 1 11 11 GLY CA C 11 46.756 46.756 44.889 1.867 25508 6760 1 15 . 1 1 11 11 GLY H H 11 8.258 8.258 8.075 0.183 25508 6761 1 15 . 1 1 12 12 LYS N N 12 112.456 112.456 118.750 -6.294 25508 6762 1 15 . 1 1 12 12 LYS HA H 12 4.547 4.547 4.765 -0.218 25508 6763 1 15 . 1 1 12 12 LYS C C 12 173.822 173.822 174.485 -0.663 25508 6764 1 15 . 1 1 12 12 LYS CA C 12 53.523 53.523 53.713 -0.190 25508 6765 1 15 . 1 1 12 12 LYS CB C 12 35.156 35.156 34.261 0.895 25508 6766 1 15 . 1 1 12 12 LYS H H 12 6.772 6.772 7.775 -1.003 25508 6767 1 15 . 1 1 13 13 GLU N N 13 121.058 121.058 119.870 1.188 25508 6768 1 15 . 1 1 13 13 GLU HA H 13 4.874 4.874 4.572 0.302 25508 6769 1 15 . 1 1 13 13 GLU C C 13 176.290 176.290 175.704 0.586 25508 6770 1 15 . 1 1 13 13 GLU CA C 13 56.291 56.291 56.189 0.102 25508 6771 1 15 . 1 1 13 13 GLU CB C 13 29.827 29.827 29.866 -0.040 25508 6772 1 15 . 1 1 13 13 GLU H H 13 8.402 8.402 8.482 -0.080 25508 6773 1 15 . 1 1 14 14 ALA N N 14 127.978 127.978 128.103 -0.125 25508 6774 1 15 . 1 1 14 14 ALA HA H 14 4.514 4.514 4.815 -0.301 25508 6775 1 15 . 1 1 14 14 ALA C C 14 175.156 175.156 175.725 -0.569 25508 6776 1 15 . 1 1 14 14 ALA CA C 14 51.437 51.437 50.137 1.300 25508 6777 1 15 . 1 1 14 14 ALA CB C 14 23.586 23.586 22.781 0.805 25508 6778 1 15 . 1 1 14 14 ALA H H 14 9.330 9.330 8.807 0.523 25508 6779 1 15 . 1 1 15 15 GLU N N 15 120.272 120.272 119.668 0.604 25508 6780 1 15 . 1 1 15 15 GLU HA H 15 4.573 4.573 4.482 0.091 25508 6781 1 15 . 1 1 15 15 GLU C C 15 178.292 178.292 177.070 1.222 25508 6782 1 15 . 1 1 15 15 GLU CA C 15 57.645 57.645 56.293 1.352 25508 6783 1 15 . 1 1 15 15 GLU CB C 15 30.016 30.016 31.093 -1.077 25508 6784 1 15 . 1 1 15 15 GLU H H 15 8.560 8.560 8.701 -0.141 25508 6785 1 15 . 1 1 16 16 GLY N N 16 113.246 113.246 107.538 5.708 25508 6786 1 15 . 1 1 16 16 GLY C C 16 172.877 172.877 174.925 -2.048 25508 6787 1 15 . 1 1 16 16 GLY CA C 16 44.636 44.636 43.590 1.046 25508 6788 1 15 . 1 1 16 16 GLY H H 16 9.236 9.236 8.347 0.889 25508 6789 1 15 . 1 1 17 17 LEU N N 17 120.058 120.058 124.770 -4.712 25508 6790 1 15 . 1 1 17 17 LEU HA H 17 3.960 3.960 3.897 0.063 25508 6791 1 15 . 1 1 17 17 LEU C C 17 177.457 177.457 176.910 0.547 25508 6792 1 15 . 1 1 17 17 LEU CA C 17 55.375 55.375 56.408 -1.033 25508 6793 1 15 . 1 1 17 17 LEU CB C 17 43.355 43.355 42.073 1.282 25508 6794 1 15 . 1 1 17 17 LEU H H 17 9.482 9.482 8.043 1.439 25508 6795 1 15 . 1 1 18 18 ASP N N 18 118.600 118.600 117.141 1.459 25508 6796 1 15 . 1 1 18 18 ASP HA H 18 4.531 4.531 4.385 0.146 25508 6797 1 15 . 1 1 18 18 ASP C C 18 175.929 175.929 174.383 1.546 25508 6798 1 15 . 1 1 18 18 ASP CA C 18 56.544 56.544 55.616 0.928 25508 6799 1 15 . 1 1 18 18 ASP CB C 18 41.655 41.655 40.150 1.505 25508 6800 1 15 . 1 1 18 18 ASP H H 18 8.848 8.848 8.231 0.617 25508 6801 1 15 . 1 1 19 19 PHE N N 19 113.195 113.195 115.299 -2.104 25508 6802 1 15 . 1 1 19 19 PHE CA C 19 55.070 55.070 54.853 0.217 25508 6803 1 15 . 1 1 19 19 PHE CB C 19 38.588 38.588 40.816 -2.228 25508 6804 1 15 . 1 1 19 19 PHE H H 19 7.108 7.108 7.309 -0.201 25508 6805 1 15 . 1 1 21 21 PRO HA H 21 4.357 4.357 4.549 -0.192 25508 6806 1 15 . 1 1 21 21 PRO C C 21 174.627 174.627 175.531 -0.904 25508 6807 1 15 . 1 1 21 21 PRO CA C 21 63.914 63.914 64.547 -0.633 25508 6808 1 15 . 1 1 21 21 PRO CB C 21 31.431 31.431 32.091 -0.660 25508 6809 1 15 . 1 1 22 22 LEU N N 22 117.643 117.643 112.072 5.571 25508 6810 1 15 . 1 1 22 22 LEU CA C 22 51.462 51.462 51.659 -0.197 25508 6811 1 15 . 1 1 22 22 LEU CB C 22 46.011 46.011 42.103 3.908 25508 6812 1 15 . 1 1 22 22 LEU H H 22 6.788 6.788 7.113 -0.325 25508 6813 1 15 . 1 1 24 24 GLY N N 24 105.443 105.443 108.980 -3.537 25508 6814 1 15 . 1 1 24 24 GLY C C 24 175.297 175.297 175.790 -0.493 25508 6815 1 15 . 1 1 24 24 GLY CA C 24 45.381 45.381 44.095 1.286 25508 6816 1 15 . 1 1 24 24 GLY H H 24 8.367 8.367 7.704 0.663 25508 6817 1 15 . 1 1 25 25 GLU N N 25 122.031 122.031 118.404 3.627 25508 6818 1 15 . 1 1 25 25 GLU HA H 25 3.887 3.887 4.116 -0.229 25508 6819 1 15 . 1 1 25 25 GLU C C 25 179.015 179.015 177.948 1.067 25508 6820 1 15 . 1 1 25 25 GLU CA C 25 59.283 59.283 58.364 0.919 25508 6821 1 15 . 1 1 25 25 GLU CB C 25 29.176 29.176 29.845 -0.669 25508 6822 1 15 . 1 1 25 25 GLU H H 25 8.737 8.737 8.680 0.057 25508 6823 1 15 . 1 1 26 26 LEU N N 26 120.531 120.531 120.471 0.060 25508 6824 1 15 . 1 1 26 26 LEU HA H 26 4.104 4.104 4.318 -0.214 25508 6825 1 15 . 1 1 26 26 LEU C C 26 178.836 178.836 178.329 0.507 25508 6826 1 15 . 1 1 26 26 LEU CA C 26 57.981 57.981 56.992 0.988 25508 6827 1 15 . 1 1 26 26 LEU CB C 26 40.939 40.939 40.979 -0.040 25508 6828 1 15 . 1 1 26 26 LEU H H 26 8.852 8.852 7.955 0.897 25508 6829 1 15 . 1 1 27 27 GLY N N 27 102.599 102.599 106.679 -4.080 25508 6830 1 15 . 1 1 27 27 GLY C C 27 175.874 175.874 175.638 0.236 25508 6831 1 15 . 1 1 27 27 GLY CA C 27 48.024 48.024 47.017 1.007 25508 6832 1 15 . 1 1 27 27 GLY H H 27 6.894 6.894 8.439 -1.545 25508 6833 1 15 . 1 1 28 28 LYS N N 28 122.738 122.738 119.774 2.964 25508 6834 1 15 . 1 1 28 28 LYS HA H 28 3.914 3.914 4.281 -0.367 25508 6835 1 15 . 1 1 28 28 LYS C C 28 177.965 177.965 178.303 -0.338 25508 6836 1 15 . 1 1 28 28 LYS CA C 28 59.844 59.844 58.979 0.865 25508 6837 1 15 . 1 1 28 28 LYS CB C 28 32.169 32.169 31.910 0.259 25508 6838 1 15 . 1 1 28 28 LYS H H 28 7.449 7.449 7.481 -0.032 25508 6839 1 15 . 1 1 29 29 ARG N N 29 119.988 119.988 116.202 3.786 25508 6840 1 15 . 1 1 29 29 ARG HA H 29 3.998 3.998 4.257 -0.259 25508 6841 1 15 . 1 1 29 29 ARG CA C 29 59.876 59.876 57.096 2.780 25508 6842 1 15 . 1 1 29 29 ARG CB C 29 30.829 30.829 29.898 0.930 25508 6843 1 15 . 1 1 29 29 ARG H H 29 8.194 8.194 7.688 0.506 25508 6844 1 15 . 1 1 30 30 LEU N N 30 119.547 119.547 119.611 -0.064 25508 6845 1 15 . 1 1 30 30 LEU HA H 30 3.849 3.849 4.308 -0.459 25508 6846 1 15 . 1 1 30 30 LEU C C 30 177.351 177.351 178.643 -1.292 25508 6847 1 15 . 1 1 30 30 LEU CA C 30 58.068 58.068 57.519 0.549 25508 6848 1 15 . 1 1 30 30 LEU CB C 30 41.547 41.547 42.617 -1.070 25508 6849 1 15 . 1 1 30 30 LEU H H 30 8.333 8.333 7.570 0.763 25508 6850 1 15 . 1 1 31 31 TYR N N 31 118.033 118.033 117.531 0.502 25508 6851 1 15 . 1 1 31 31 TYR HA H 31 3.895 3.895 4.128 -0.233 25508 6852 1 15 . 1 1 31 31 TYR C C 31 178.434 178.434 175.843 2.591 25508 6853 1 15 . 1 1 31 31 TYR CA C 31 61.391 61.391 59.922 1.469 25508 6854 1 15 . 1 1 31 31 TYR CB C 31 39.083 39.083 38.015 1.068 25508 6855 1 15 . 1 1 31 31 TYR H H 31 8.106 8.106 8.336 -0.230 25508 6856 1 15 . 1 1 32 32 GLU N N 32 117.126 117.126 115.859 1.267 25508 6857 1 15 . 1 1 32 32 GLU HA H 32 3.926 3.926 3.797 0.129 25508 6858 1 15 . 1 1 32 32 GLU C C 32 178.370 178.370 176.586 1.784 25508 6859 1 15 . 1 1 32 32 GLU CA C 32 58.603 58.603 55.856 2.747 25508 6860 1 15 . 1 1 32 32 GLU CB C 32 30.580 30.580 28.300 2.280 25508 6861 1 15 . 1 1 32 32 GLU H H 32 8.260 8.260 7.670 0.590 25508 6862 1 15 . 1 1 33 33 SER N N 33 108.887 108.887 113.995 -5.108 25508 6863 1 15 . 1 1 33 33 SER HA H 33 4.910 4.910 4.349 0.561 25508 6864 1 15 . 1 1 33 33 SER C C 33 171.776 171.776 175.752 -3.976 25508 6865 1 15 . 1 1 33 33 SER CA C 33 60.399 60.399 58.719 1.680 25508 6866 1 15 . 1 1 33 33 SER CB C 33 67.057 67.057 64.829 2.228 25508 6867 1 15 . 1 1 33 33 SER H H 33 7.553 7.553 7.216 0.337 25508 6868 1 15 . 1 1 34 34 VAL N N 34 120.097 120.097 120.504 -0.407 25508 6869 1 15 . 1 1 34 34 VAL CA C 34 61.287 61.287 65.539 -4.252 25508 6870 1 15 . 1 1 34 34 VAL CB C 34 34.048 34.048 31.525 2.523 25508 6871 1 15 . 1 1 34 34 VAL H H 34 8.396 8.396 8.185 0.211 25508 6872 1 15 . 1 1 35 35 SER HA H 35 4.107 4.107 4.070 0.037 25508 6873 1 15 . 1 1 35 35 SER C C 35 174.321 174.321 174.665 -0.344 25508 6874 1 15 . 1 1 35 35 SER CA C 35 58.771 58.771 59.605 -0.834 25508 6875 1 15 . 1 1 35 35 SER CB C 35 66.899 66.899 62.935 3.964 25508 6876 1 15 . 1 1 36 36 LYS N N 36 119.115 119.115 120.722 -1.607 25508 6877 1 15 . 1 1 36 36 LYS HA H 36 4.016 4.016 4.262 -0.246 25508 6878 1 15 . 1 1 36 36 LYS C C 36 179.407 179.407 177.949 1.458 25508 6879 1 15 . 1 1 36 36 LYS CA C 36 60.728 60.728 57.616 3.112 25508 6880 1 15 . 1 1 36 36 LYS CB C 36 32.746 32.746 32.562 0.184 25508 6881 1 15 . 1 1 36 36 LYS H H 36 8.562 8.562 8.469 0.093 25508 6882 1 15 . 1 1 37 37 GLN N N 37 118.142 118.142 118.611 -0.469 25508 6883 1 15 . 1 1 37 37 GLN HA H 37 3.970 3.970 4.280 -0.310 25508 6884 1 15 . 1 1 37 37 GLN C C 37 177.580 177.580 178.074 -0.494 25508 6885 1 15 . 1 1 37 37 GLN CA C 37 59.134 59.134 58.124 1.010 25508 6886 1 15 . 1 1 37 37 GLN CB C 37 28.534 28.534 28.787 -0.253 25508 6887 1 15 . 1 1 37 37 GLN H H 37 8.958 8.958 8.217 0.741 25508 6888 1 15 . 1 1 38 38 ALA N N 38 121.173 121.173 122.916 -1.743 25508 6889 1 15 . 1 1 38 38 ALA HA H 38 4.409 4.409 4.199 0.210 25508 6890 1 15 . 1 1 38 38 ALA C C 38 181.081 181.081 178.949 2.132 25508 6891 1 15 . 1 1 38 38 ALA CA C 38 55.065 55.065 54.422 0.643 25508 6892 1 15 . 1 1 38 38 ALA CB C 38 19.574 19.574 17.859 1.715 25508 6893 1 15 . 1 1 38 38 ALA H H 38 8.233 8.233 7.724 0.508 25508 6894 1 15 . 1 1 39 39 TRP N N 39 121.046 121.046 119.875 1.171 25508 6895 1 15 . 1 1 39 39 TRP HA H 39 4.898 4.898 4.320 0.578 25508 6896 1 15 . 1 1 39 39 TRP C C 39 176.886 176.886 177.614 -0.728 25508 6897 1 15 . 1 1 39 39 TRP CA C 39 60.403 60.403 60.298 0.105 25508 6898 1 15 . 1 1 39 39 TRP CB C 39 30.640 30.640 29.442 1.198 25508 6899 1 15 . 1 1 39 39 TRP H H 39 8.891 8.891 7.829 1.062 25508 6900 1 15 . 1 1 40 40 GLN N N 40 117.010 117.010 115.287 1.723 25508 6901 1 15 . 1 1 40 40 GLN HA H 40 3.715 3.715 3.900 -0.185 25508 6902 1 15 . 1 1 40 40 GLN C C 40 179.512 179.512 177.839 1.673 25508 6903 1 15 . 1 1 40 40 GLN CA C 40 59.159 59.159 58.766 0.393 25508 6904 1 15 . 1 1 40 40 GLN CB C 40 27.821 27.821 28.455 -0.634 25508 6905 1 15 . 1 1 40 40 GLN H H 40 8.541 8.541 7.675 0.866 25508 6906 1 15 . 1 1 41 41 ASP N N 41 120.036 120.036 121.598 -1.562 25508 6907 1 15 . 1 1 41 41 ASP HA H 41 4.396 4.396 4.380 0.016 25508 6908 1 15 . 1 1 41 41 ASP C C 41 179.637 179.637 177.805 1.832 25508 6909 1 15 . 1 1 41 41 ASP CA C 41 57.571 57.571 57.255 0.315 25508 6910 1 15 . 1 1 41 41 ASP CB C 41 40.205 40.205 40.764 -0.559 25508 6911 1 15 . 1 1 41 41 ASP H H 41 8.119 8.119 7.766 0.353 25508 6912 1 15 . 1 1 42 42 TRP N N 42 123.295 123.295 120.437 2.858 25508 6913 1 15 . 1 1 42 42 TRP HA H 42 3.992 3.992 4.367 -0.375 25508 6914 1 15 . 1 1 42 42 TRP C C 42 176.559 176.559 177.856 -1.297 25508 6915 1 15 . 1 1 42 42 TRP CA C 42 58.825 58.825 61.059 -2.234 25508 6916 1 15 . 1 1 42 42 TRP CB C 42 30.101 30.101 29.268 0.833 25508 6917 1 15 . 1 1 42 42 TRP H H 42 8.015 8.015 8.731 -0.716 25508 6918 1 15 . 1 1 43 43 LEU N N 43 118.444 118.444 116.739 1.705 25508 6919 1 15 . 1 1 43 43 LEU HA H 43 3.073 3.073 3.639 -0.566 25508 6920 1 15 . 1 1 43 43 LEU C C 43 180.127 180.127 178.504 1.623 25508 6921 1 15 . 1 1 43 43 LEU CA C 43 57.710 57.710 57.364 0.346 25508 6922 1 15 . 1 1 43 43 LEU CB C 43 40.675 40.675 41.231 -0.556 25508 6923 1 15 . 1 1 43 43 LEU H H 43 8.027 8.027 7.100 0.927 25508 6924 1 15 . 1 1 44 44 LYS N N 44 117.577 117.577 119.159 -1.582 25508 6925 1 15 . 1 1 44 44 LYS HA H 44 3.871 3.871 3.924 -0.053 25508 6926 1 15 . 1 1 44 44 LYS C C 44 179.010 179.010 179.085 -0.075 25508 6927 1 15 . 1 1 44 44 LYS CA C 44 59.496 59.496 59.169 0.327 25508 6928 1 15 . 1 1 44 44 LYS CB C 44 32.301 32.301 31.964 0.337 25508 6929 1 15 . 1 1 44 44 LYS H H 44 7.065 7.065 7.690 -0.625 25508 6930 1 15 . 1 1 45 45 GLN N N 45 120.755 120.755 117.907 2.848 25508 6931 1 15 . 1 1 45 45 GLN HA H 45 3.834 3.834 4.129 -0.295 25508 6932 1 15 . 1 1 45 45 GLN C C 45 177.807 177.807 178.075 -0.268 25508 6933 1 15 . 1 1 45 45 GLN CA C 45 57.760 57.760 58.507 -0.747 25508 6934 1 15 . 1 1 45 45 GLN CB C 45 27.623 27.623 28.055 -0.432 25508 6935 1 15 . 1 1 45 45 GLN H H 45 7.033 7.033 7.888 -0.855 25508 6936 1 15 . 1 1 46 46 GLN N N 46 120.768 120.768 120.446 0.322 25508 6937 1 15 . 1 1 46 46 GLN HA H 46 3.065 3.065 3.799 -0.734 25508 6938 1 15 . 1 1 46 46 GLN C C 46 177.167 177.167 178.391 -1.224 25508 6939 1 15 . 1 1 46 46 GLN CA C 46 59.136 59.136 59.332 -0.196 25508 6940 1 15 . 1 1 46 46 GLN CB C 46 28.416 28.416 28.441 -0.025 25508 6941 1 15 . 1 1 46 46 GLN H H 46 8.346 8.346 7.573 0.773 25508 6942 1 15 . 1 1 47 47 THR N N 47 114.925 114.925 115.843 -0.918 25508 6943 1 15 . 1 1 47 47 THR HA H 47 3.690 3.690 4.124 -0.434 25508 6944 1 15 . 1 1 47 47 THR C C 47 175.615 175.615 176.165 -0.550 25508 6945 1 15 . 1 1 47 47 THR CA C 47 66.804 66.804 65.676 1.128 25508 6946 1 15 . 1 1 47 47 THR CB C 47 68.895 68.895 68.891 0.004 25508 6947 1 15 . 1 1 47 47 THR H H 47 7.629 7.629 7.497 0.132 25508 6948 1 15 . 1 1 48 48 MET N N 48 120.050 120.050 122.280 -2.230 25508 6949 1 15 . 1 1 48 48 MET HA H 48 4.117 4.117 3.992 0.125 25508 6950 1 15 . 1 1 48 48 MET C C 48 177.928 177.928 178.181 -0.253 25508 6951 1 15 . 1 1 48 48 MET CA C 48 59.041 59.041 59.967 -0.926 25508 6952 1 15 . 1 1 48 48 MET CB C 48 31.985 31.985 32.532 -0.547 25508 6953 1 15 . 1 1 48 48 MET H H 48 7.077 7.077 7.725 -0.648 25508 6954 1 15 . 1 1 49 49 LEU N N 49 120.156 120.156 118.493 1.663 25508 6955 1 15 . 1 1 49 49 LEU HA H 49 3.991 3.991 4.070 -0.079 25508 6956 1 15 . 1 1 49 49 LEU C C 49 180.284 180.284 179.025 1.259 25508 6957 1 15 . 1 1 49 49 LEU CA C 49 58.157 58.157 58.161 -0.004 25508 6958 1 15 . 1 1 49 49 LEU CB C 49 42.723 42.723 40.714 2.010 25508 6959 1 15 . 1 1 49 49 LEU H H 49 7.982 7.982 8.629 -0.647 25508 6960 1 15 . 1 1 50 50 ILE N N 50 119.987 119.987 119.273 0.714 25508 6961 1 15 . 1 1 50 50 ILE HA H 50 3.487 3.487 3.579 -0.092 25508 6962 1 15 . 1 1 50 50 ILE C C 50 178.074 178.074 178.478 -0.404 25508 6963 1 15 . 1 1 50 50 ILE CA C 50 65.734 65.734 65.259 0.475 25508 6964 1 15 . 1 1 50 50 ILE CB C 50 38.622 38.622 37.513 1.109 25508 6965 1 15 . 1 1 50 50 ILE H H 50 8.275 8.275 7.488 0.787 25508 6966 1 15 . 1 1 51 51 ASN N N 51 117.331 117.331 117.949 -0.618 25508 6967 1 15 . 1 1 51 51 ASN HA H 51 4.493 4.493 4.353 0.140 25508 6968 1 15 . 1 1 51 51 ASN C C 51 178.621 178.621 176.706 1.915 25508 6969 1 15 . 1 1 51 51 ASN CA C 51 55.787 55.787 56.669 -0.881 25508 6970 1 15 . 1 1 51 51 ASN CB C 51 38.273 38.273 38.775 -0.502 25508 6971 1 15 . 1 1 51 51 ASN H H 51 7.902 7.902 8.354 -0.452 25508 6972 1 15 . 1 1 52 52 GLU N N 52 120.128 120.128 119.964 0.164 25508 6973 1 15 . 1 1 52 52 GLU HA H 52 4.006 4.006 4.110 -0.104 25508 6974 1 15 . 1 1 52 52 GLU C C 52 177.628 177.628 178.288 -0.660 25508 6975 1 15 . 1 1 52 52 GLU CA C 52 59.034 59.034 58.804 0.230 25508 6976 1 15 . 1 1 52 52 GLU CB C 52 29.714 29.714 29.910 -0.196 25508 6977 1 15 . 1 1 52 52 GLU H H 52 8.958 8.958 8.370 0.588 25508 6978 1 15 . 1 1 53 53 ASN N N 53 112.872 112.872 115.650 -2.778 25508 6979 1 15 . 1 1 53 53 ASN HA H 53 4.666 4.666 4.535 0.131 25508 6980 1 15 . 1 1 53 53 ASN C C 53 173.022 173.022 175.461 -2.439 25508 6981 1 15 . 1 1 53 53 ASN CA C 53 53.416 53.416 54.198 -0.782 25508 6982 1 15 . 1 1 53 53 ASN CB C 53 38.938 38.938 38.977 -0.039 25508 6983 1 15 . 1 1 53 53 ASN H H 53 7.535 7.535 8.159 -0.624 25508 6984 1 15 . 1 1 54 54 ARG N N 54 118.579 118.579 116.026 2.553 25508 6985 1 15 . 1 1 54 54 ARG HA H 54 3.975 3.975 4.036 -0.061 25508 6986 1 15 . 1 1 54 54 ARG C C 54 176.170 176.170 175.321 0.849 25508 6987 1 15 . 1 1 54 54 ARG CA C 54 56.615 56.615 56.698 -0.083 25508 6988 1 15 . 1 1 54 54 ARG CB C 54 27.180 27.180 27.039 0.141 25508 6989 1 15 . 1 1 54 54 ARG H H 54 7.696 7.696 7.699 -0.003 25508 6990 1 15 . 1 1 55 55 LEU N N 55 116.705 116.705 119.437 -2.732 25508 6991 1 15 . 1 1 55 55 LEU HA H 55 4.097 4.097 4.405 -0.308 25508 6992 1 15 . 1 1 55 55 LEU C C 55 176.242 176.242 177.379 -1.137 25508 6993 1 15 . 1 1 55 55 LEU CA C 55 55.099 55.099 53.620 1.479 25508 6994 1 15 . 1 1 55 55 LEU CB C 55 42.694 42.694 42.888 -0.194 25508 6995 1 15 . 1 1 55 55 LEU H H 55 7.927 7.927 7.578 0.349 25508 6996 1 15 . 1 1 56 56 ASN N N 56 120.616 120.616 119.212 1.404 25508 6997 1 15 . 1 1 56 56 ASN HA H 56 4.708 4.708 4.866 -0.158 25508 6998 1 15 . 1 1 56 56 ASN C C 56 176.058 176.058 176.057 0.001 25508 6999 1 15 . 1 1 56 56 ASN CA C 56 51.440 51.440 52.128 -0.688 25508 7000 1 15 . 1 1 56 56 ASN CB C 56 38.554 38.554 38.158 0.396 25508 7001 1 15 . 1 1 56 56 ASN H H 56 8.530 8.530 8.587 -0.057 25508 7002 1 15 . 1 1 57 57 MET N N 57 121.659 121.659 121.842 -0.183 25508 7003 1 15 . 1 1 57 57 MET HA H 57 4.341 4.341 4.083 0.258 25508 7004 1 15 . 1 1 57 57 MET C C 57 176.694 176.694 177.373 -0.679 25508 7005 1 15 . 1 1 57 57 MET CA C 57 55.717 55.717 59.305 -3.588 25508 7006 1 15 . 1 1 57 57 MET CB C 57 30.266 30.266 32.160 -1.894 25508 7007 1 15 . 1 1 57 57 MET H H 57 8.628 8.628 7.613 1.015 25508 7008 1 15 . 1 1 58 58 ALA N N 58 120.515 120.515 121.147 -0.632 25508 7009 1 15 . 1 1 58 58 ALA HA H 58 4.267 4.267 4.117 0.150 25508 7010 1 15 . 1 1 58 58 ALA C C 58 177.625 177.625 177.868 -0.243 25508 7011 1 15 . 1 1 58 58 ALA CA C 58 52.643 52.643 53.574 -0.931 25508 7012 1 15 . 1 1 58 58 ALA CB C 58 18.667 18.667 18.506 0.161 25508 7013 1 15 . 1 1 58 58 ALA H H 58 7.988 7.988 8.125 -0.137 25508 7014 1 15 . 1 1 59 59 ASP N N 59 121.926 121.926 116.767 5.159 25508 7015 1 15 . 1 1 59 59 ASP CA C 59 50.871 50.871 51.506 -0.635 25508 7016 1 15 . 1 1 59 59 ASP CB C 59 42.450 42.450 41.752 0.698 25508 7017 1 15 . 1 1 59 59 ASP H H 59 8.024 8.024 7.628 0.396 25508 7018 1 15 . 1 1 60 60 PRO HA H 60 4.186 4.186 4.375 -0.189 25508 7019 1 15 . 1 1 60 60 PRO C C 60 179.232 179.232 177.731 1.501 25508 7020 1 15 . 1 1 60 60 PRO CA C 60 65.347 65.347 64.295 1.052 25508 7021 1 15 . 1 1 60 60 PRO CB C 60 32.399 32.399 32.285 0.114 25508 7022 1 15 . 1 1 61 61 ARG N N 61 117.390 117.390 118.445 -1.055 25508 7023 1 15 . 1 1 61 61 ARG HA H 61 4.107 4.107 4.129 -0.022 25508 7024 1 15 . 1 1 61 61 ARG C C 61 179.817 179.817 178.189 1.628 25508 7025 1 15 . 1 1 61 61 ARG CA C 61 59.098 59.098 58.407 0.690 25508 7026 1 15 . 1 1 61 61 ARG CB C 61 29.670 29.670 28.830 0.840 25508 7027 1 15 . 1 1 61 61 ARG H H 61 8.597 8.597 8.532 0.065 25508 7028 1 15 . 1 1 62 62 ALA N N 62 124.172 124.172 120.159 4.013 25508 7029 1 15 . 1 1 62 62 ALA HA H 62 4.201 4.201 4.343 -0.142 25508 7030 1 15 . 1 1 62 62 ALA C C 62 179.726 179.726 179.472 0.254 25508 7031 1 15 . 1 1 62 62 ALA CA C 62 55.011 55.011 54.310 0.701 25508 7032 1 15 . 1 1 62 62 ALA CB C 62 19.251 19.251 18.579 0.671 25508 7033 1 15 . 1 1 62 62 ALA H H 62 7.597 7.597 7.583 0.014 25508 7034 1 15 . 1 1 63 63 ARG N N 63 116.483 116.483 117.676 -1.193 25508 7035 1 15 . 1 1 63 63 ARG HA H 63 3.985 3.985 4.285 -0.300 25508 7036 1 15 . 1 1 63 63 ARG C C 63 179.234 179.234 178.646 0.588 25508 7037 1 15 . 1 1 63 63 ARG CA C 63 60.029 60.029 57.401 2.628 25508 7038 1 15 . 1 1 63 63 ARG CB C 63 29.806 29.806 29.592 0.214 25508 7039 1 15 . 1 1 63 63 ARG H H 63 7.640 7.640 7.909 -0.269 25508 7040 1 15 . 1 1 64 64 GLN N N 64 119.143 119.143 118.855 0.288 25508 7041 1 15 . 1 1 64 64 GLN HA H 64 4.095 4.095 4.213 -0.118 25508 7042 1 15 . 1 1 64 64 GLN C C 64 178.261 178.261 176.833 1.428 25508 7043 1 15 . 1 1 64 64 GLN CA C 64 59.183 59.183 58.268 0.915 25508 7044 1 15 . 1 1 64 64 GLN CB C 64 28.266 28.266 29.046 -0.780 25508 7045 1 15 . 1 1 64 64 GLN H H 64 8.114 8.114 7.759 0.355 25508 7046 1 15 . 1 1 65 65 TYR N N 65 121.413 121.413 118.932 2.481 25508 7047 1 15 . 1 1 65 65 TYR HA H 65 4.321 4.321 4.415 -0.095 25508 7048 1 15 . 1 1 65 65 TYR C C 65 180.478 180.478 177.339 3.139 25508 7049 1 15 . 1 1 65 65 TYR CA C 65 61.407 61.407 60.523 0.884 25508 7050 1 15 . 1 1 65 65 TYR CB C 65 37.831 37.831 39.255 -1.423 25508 7051 1 15 . 1 1 65 65 TYR H H 65 7.929 7.929 7.645 0.284 25508 7052 1 15 . 1 1 66 66 LEU N N 66 119.499 119.499 120.469 -0.970 25508 7053 1 15 . 1 1 66 66 LEU HA H 66 3.870 3.870 3.738 0.132 25508 7054 1 15 . 1 1 66 66 LEU C C 66 180.847 180.847 178.754 2.093 25508 7055 1 15 . 1 1 66 66 LEU CA C 66 57.959 57.959 58.017 -0.058 25508 7056 1 15 . 1 1 66 66 LEU CB C 66 41.522 41.522 41.844 -0.322 25508 7057 1 15 . 1 1 66 66 LEU H H 66 8.328 8.328 7.710 0.618 25508 7058 1 15 . 1 1 67 67 MET N N 67 122.316 122.316 114.726 7.590 25508 7059 1 15 . 1 1 67 67 MET HA H 67 4.100 4.100 4.277 -0.177 25508 7060 1 15 . 1 1 67 67 MET C C 67 178.402 178.402 178.235 0.167 25508 7061 1 15 . 1 1 67 67 MET CA C 67 59.693 59.693 57.731 1.962 25508 7062 1 15 . 1 1 67 67 MET CB C 67 32.202 32.202 31.595 0.607 25508 7063 1 15 . 1 1 67 67 MET H H 67 8.480 8.480 7.677 0.803 25508 7064 1 15 . 1 1 68 68 LYS N N 68 120.460 120.460 116.857 3.603 25508 7065 1 15 . 1 1 68 68 LYS HA H 68 4.160 4.160 4.263 -0.103 25508 7066 1 15 . 1 1 68 68 LYS C C 68 179.963 179.963 179.013 0.950 25508 7067 1 15 . 1 1 68 68 LYS CA C 68 58.857 58.857 57.871 0.986 25508 7068 1 15 . 1 1 68 68 LYS CB C 68 31.276 31.276 31.837 -0.561 25508 7069 1 15 . 1 1 68 68 LYS H H 68 8.024 8.024 8.020 0.004 25508 7070 1 15 . 1 1 69 69 GLN N N 69 117.834 117.834 119.103 -1.269 25508 7071 1 15 . 1 1 69 69 GLN HA H 69 3.858 3.858 4.176 -0.318 25508 7072 1 15 . 1 1 69 69 GLN C C 69 178.013 178.013 177.213 0.800 25508 7073 1 15 . 1 1 69 69 GLN CA C 69 58.097 58.097 57.887 0.210 25508 7074 1 15 . 1 1 69 69 GLN CB C 69 27.601 27.601 28.551 -0.950 25508 7075 1 15 . 1 1 69 69 GLN H H 69 8.281 8.281 7.956 0.325 25508 7076 1 15 . 1 1 70 70 THR N N 70 119.066 119.066 115.246 3.820 25508 7077 1 15 . 1 1 70 70 THR HA H 70 2.666 2.666 4.193 -1.527 25508 7078 1 15 . 1 1 70 70 THR C C 70 175.189 175.189 175.494 -0.305 25508 7079 1 15 . 1 1 70 70 THR CA C 70 66.732 66.732 66.345 0.387 25508 7080 1 15 . 1 1 70 70 THR CB C 70 68.451 68.451 68.985 -0.534 25508 7081 1 15 . 1 1 70 70 THR H H 70 8.245 8.245 7.860 0.385 25508 7082 1 15 . 1 1 71 71 GLU N N 71 121.112 121.112 121.879 -0.767 25508 7083 1 15 . 1 1 71 71 GLU HA H 71 3.873 3.873 4.133 -0.260 25508 7084 1 15 . 1 1 71 71 GLU C C 71 177.903 177.903 178.084 -0.181 25508 7085 1 15 . 1 1 71 71 GLU CA C 71 60.325 60.325 59.494 0.831 25508 7086 1 15 . 1 1 71 71 GLU CB C 71 30.065 30.065 29.822 0.243 25508 7087 1 15 . 1 1 71 71 GLU H H 71 7.872 7.872 7.995 -0.123 25508 7088 1 15 . 1 1 72 72 LYS N N 72 118.112 118.112 117.978 0.134 25508 7089 1 15 . 1 1 72 72 LYS HA H 72 3.853 3.853 4.058 -0.205 25508 7090 1 15 . 1 1 72 72 LYS C C 72 178.447 178.447 179.303 -0.856 25508 7091 1 15 . 1 1 72 72 LYS CA C 72 59.199 59.199 58.270 0.929 25508 7092 1 15 . 1 1 72 72 LYS CB C 72 32.705 32.705 31.824 0.881 25508 7093 1 15 . 1 1 72 72 LYS H H 72 7.932 7.932 7.749 0.183 25508 7094 1 15 . 1 1 73 73 TYR N N 73 119.703 119.703 119.995 -0.292 25508 7095 1 15 . 1 1 73 73 TYR HA H 73 3.704 3.704 4.031 -0.327 25508 7096 1 15 . 1 1 73 73 TYR C C 73 176.953 176.953 176.640 0.313 25508 7097 1 15 . 1 1 73 73 TYR CA C 73 61.540 61.540 60.743 0.797 25508 7098 1 15 . 1 1 73 73 TYR CB C 73 38.266 38.266 38.078 0.188 25508 7099 1 15 . 1 1 73 73 TYR H H 73 7.800 7.800 7.195 0.605 25508 7100 1 15 . 1 1 74 74 PHE N N 74 111.749 111.749 114.646 -2.897 25508 7101 1 15 . 1 1 74 74 PHE HA H 74 3.886 3.886 4.400 -0.514 25508 7102 1 15 . 1 1 74 74 PHE C C 74 176.300 176.300 176.964 -0.664 25508 7103 1 15 . 1 1 74 74 PHE CA C 74 61.784 61.784 59.185 2.599 25508 7104 1 15 . 1 1 74 74 PHE CB C 74 39.690 39.690 38.713 0.977 25508 7105 1 15 . 1 1 74 74 PHE H H 74 7.139 7.139 7.067 0.072 25508 7106 1 15 . 1 1 75 75 PHE N N 75 114.845 114.845 116.493 -1.648 25508 7107 1 15 . 1 1 75 75 PHE HA H 75 5.009 5.009 4.831 0.178 25508 7108 1 15 . 1 1 75 75 PHE C C 75 176.448 176.448 176.738 -0.290 25508 7109 1 15 . 1 1 75 75 PHE CA C 75 56.575 56.575 56.521 0.054 25508 7110 1 15 . 1 1 75 75 PHE CB C 75 40.353 40.353 37.280 3.073 25508 7111 1 15 . 1 1 75 75 PHE H H 75 8.275 8.275 7.303 0.973 25508 7112 1 15 . 1 1 76 76 GLY N N 76 109.977 109.977 109.604 0.373 25508 7113 1 15 . 1 1 76 76 GLY C C 76 173.602 173.602 174.773 -1.171 25508 7114 1 15 . 1 1 76 76 GLY CA C 76 45.375 45.375 44.571 0.804 25508 7115 1 15 . 1 1 76 76 GLY H H 76 7.836 7.836 7.562 0.274 25508 7116 1 15 . 1 1 77 77 GLU N N 77 120.068 120.068 120.134 -0.066 25508 7117 1 15 . 1 1 77 77 GLU HA H 77 4.259 4.259 4.034 0.225 25508 7118 1 15 . 1 1 77 77 GLU C C 77 176.925 176.925 176.803 0.122 25508 7119 1 15 . 1 1 77 77 GLU CA C 77 56.647 56.647 58.363 -1.716 25508 7120 1 15 . 1 1 77 77 GLU CB C 77 30.694 30.694 29.601 1.093 25508 7121 1 15 . 1 1 77 77 GLU H H 77 8.445 8.445 8.576 -0.131 25508 7122 1 15 . 1 1 78 78 GLY N N 78 110.135 110.135 107.121 3.014 25508 7123 1 15 . 1 1 78 78 GLY C C 78 174.241 174.241 173.338 0.903 25508 7124 1 15 . 1 1 78 78 GLY CA C 78 45.368 45.368 45.478 -0.110 25508 7125 1 15 . 1 1 78 78 GLY H H 78 8.457 8.457 7.882 0.575 25508 7126 1 15 . 1 1 79 79 ALA N N 79 123.773 123.773 122.929 0.844 25508 7127 1 15 . 1 1 79 79 ALA HA H 79 4.208 4.208 4.112 0.096 25508 7128 1 15 . 1 1 79 79 ALA C C 79 177.657 177.657 176.256 1.401 25508 7129 1 15 . 1 1 79 79 ALA CA C 79 52.782 52.782 53.074 -0.292 25508 7130 1 15 . 1 1 79 79 ALA CB C 79 19.145 19.145 18.113 1.032 25508 7131 1 15 . 1 1 79 79 ALA H H 79 8.195 8.195 8.451 -0.256 25508 7132 1 15 . 1 1 80 80 ASP N N 80 118.833 118.833 115.708 3.125 25508 7133 1 15 . 1 1 80 80 ASP HA H 80 4.473 4.473 4.705 -0.232 25508 7134 1 15 . 1 1 80 80 ASP C C 80 176.374 176.374 175.005 1.369 25508 7135 1 15 . 1 1 80 80 ASP CA C 80 54.383 54.383 53.527 0.856 25508 7136 1 15 . 1 1 80 80 ASP CB C 80 40.940 40.940 41.865 -0.925 25508 7137 1 15 . 1 1 80 80 ASP H H 80 8.347 8.347 7.824 0.523 25508 7138 1 15 . 1 1 81 81 GLN N N 81 120.376 120.376 118.477 1.899 25508 7139 1 15 . 1 1 81 81 GLN HA H 81 4.225 4.225 4.667 -0.442 25508 7140 1 15 . 1 1 81 81 GLN C C 81 176.029 176.029 174.975 1.054 25508 7141 1 15 . 1 1 81 81 GLN CA C 81 55.969 55.969 54.567 1.402 25508 7142 1 15 . 1 1 81 81 GLN CB C 81 29.242 29.242 29.794 -0.551 25508 7143 1 15 . 1 1 81 81 GLN H H 81 8.188 8.188 8.432 -0.244 25508 7144 1 15 . 1 1 82 82 ALA N N 82 124.734 124.734 123.669 1.065 25508 7145 1 15 . 1 1 82 82 ALA HA H 82 4.271 4.271 4.646 -0.375 25508 7146 1 15 . 1 1 82 82 ALA C C 82 178.011 178.011 176.677 1.334 25508 7147 1 15 . 1 1 82 82 ALA CA C 82 52.680 52.680 51.877 0.804 25508 7148 1 15 . 1 1 82 82 ALA CB C 82 19.023 19.023 18.451 0.572 25508 7149 1 15 . 1 1 82 82 ALA H H 82 8.307 8.307 8.312 -0.005 25508 7150 1 15 . 1 1 83 83 SER N N 83 114.999 114.999 117.190 -2.191 25508 7151 1 15 . 1 1 83 83 SER HA H 83 4.368 4.368 4.638 -0.270 25508 7152 1 15 . 1 1 83 83 SER C C 83 175.141 175.141 173.480 1.661 25508 7153 1 15 . 1 1 83 83 SER CA C 83 58.843 58.843 58.971 -0.128 25508 7154 1 15 . 1 1 83 83 SER CB C 83 63.849 63.849 64.115 -0.266 25508 7155 1 15 . 1 1 83 83 SER H H 83 8.269 8.269 8.562 -0.293 25508 7156 1 15 . 1 1 84 84 GLY N N 84 110.722 110.722 111.618 -0.896 25508 7157 1 15 . 1 1 84 84 GLY C C 84 173.457 173.457 172.289 1.168 25508 7158 1 15 . 1 1 84 84 GLY CA C 84 45.168 45.168 44.545 0.623 25508 7159 1 15 . 1 1 84 84 GLY H H 84 8.324 8.324 8.463 -0.139 25508 7160 1 15 . 1 1 85 85 TYR N N 85 121.054 121.054 120.740 0.314 25508 7161 1 15 . 1 1 85 85 TYR HA H 85 4.395 4.395 4.495 -0.100 25508 7162 1 15 . 1 1 85 85 TYR C C 85 174.866 174.866 175.494 -0.628 25508 7163 1 15 . 1 1 85 85 TYR CA C 85 58.433 58.433 58.191 0.242 25508 7164 1 15 . 1 1 85 85 TYR CB C 85 38.856 38.856 39.098 -0.242 25508 7165 1 15 . 1 1 85 85 TYR H H 85 7.982 7.982 8.268 -0.286 25508 7166 1 15 . 1 1 86 86 VAL N N 86 127.973 127.973 123.902 4.071 25508 7167 1 15 . 1 1 86 86 VAL CA C 86 58.815 58.815 59.135 -0.320 25508 7168 1 15 . 1 1 86 86 VAL CB C 86 33.360 33.360 33.384 -0.024 25508 7169 1 15 . 1 1 86 86 VAL H H 86 7.734 7.734 7.574 0.160 25508 7170 1 15 . 1 1 88 88 PRO HA H 88 4.320 4.320 4.282 0.038 25508 7171 1 15 . 1 1 88 88 PRO C C 88 176.654 176.654 176.852 -0.198 25508 7172 1 15 . 1 1 88 88 PRO CA C 88 62.735 62.735 63.710 -0.975 25508 7173 1 15 . 1 1 88 88 PRO CB C 88 32.007 32.007 31.681 0.326 25508 7174 1 15 . 1 1 89 89 ALA N N 89 124.497 124.497 121.548 2.949 25508 7175 1 15 . 1 1 89 89 ALA HA H 89 4.213 4.213 4.072 0.141 25508 7176 1 15 . 1 1 89 89 ALA C C 89 177.739 177.739 176.489 1.250 25508 7177 1 15 . 1 1 89 89 ALA CA C 89 52.564 52.564 52.999 -0.436 25508 7178 1 15 . 1 1 89 89 ALA CB C 89 19.103 19.103 17.819 1.284 25508 7179 1 15 . 1 1 89 89 ALA H H 89 8.332 8.332 8.329 0.003 25508 7180 1 15 . 1 1 90 90 GLN N N 90 119.712 119.712 116.003 3.709 25508 7181 1 15 . 1 1 90 90 GLN HA H 90 4.301 4.301 4.679 -0.378 25508 7182 1 15 . 1 1 90 90 GLN C C 90 175.302 175.302 174.598 0.704 25508 7183 1 15 . 1 1 90 90 GLN CA C 90 55.717 55.717 55.202 0.515 25508 7184 1 15 . 1 1 90 90 GLN CB C 90 29.764 29.764 30.358 -0.594 25508 7185 1 15 . 1 1 90 90 GLN H H 90 8.338 8.338 7.916 0.422 25508 7186 1 16 . 1 1 2 2 ALA N N 2 125.581 125.581 124.736 0.845 25508 7187 1 16 . 1 1 2 2 ALA HA H 2 4.204 4.204 4.277 -0.073 25508 7188 1 16 . 1 1 2 2 ALA C C 2 176.764 176.764 177.862 -1.098 25508 7189 1 16 . 1 1 2 2 ALA CA C 2 52.280 52.280 53.403 -1.123 25508 7190 1 16 . 1 1 2 2 ALA CB C 2 19.494 19.494 19.411 0.083 25508 7191 1 16 . 1 1 2 2 ALA H H 2 8.203 8.203 8.510 -0.307 25508 7192 1 16 . 1 1 3 3 ARG N N 3 123.058 123.058 115.294 7.764 25508 7193 1 16 . 1 1 3 3 ARG HA H 3 4.247 4.247 4.414 -0.167 25508 7194 1 16 . 1 1 3 3 ARG C C 3 174.914 174.914 173.928 0.986 25508 7195 1 16 . 1 1 3 3 ARG CA C 3 55.678 55.678 55.913 -0.234 25508 7196 1 16 . 1 1 3 3 ARG CB C 3 31.276 31.276 32.572 -1.296 25508 7197 1 16 . 1 1 3 3 ARG H H 3 8.649 8.649 7.704 0.945 25508 7198 1 16 . 1 1 4 4 MET N N 4 125.010 125.010 118.843 6.167 25508 7199 1 16 . 1 1 4 4 MET HA H 4 4.966 4.966 4.894 0.072 25508 7200 1 16 . 1 1 4 4 MET C C 4 176.144 176.144 174.690 1.454 25508 7201 1 16 . 1 1 4 4 MET CA C 4 53.311 53.311 54.902 -1.591 25508 7202 1 16 . 1 1 4 4 MET CB C 4 32.120 32.120 33.445 -1.325 25508 7203 1 16 . 1 1 4 4 MET H H 4 8.427 8.427 8.618 -0.191 25508 7204 1 16 . 1 1 5 5 ILE N N 5 117.850 117.850 117.588 0.262 25508 7205 1 16 . 1 1 5 5 ILE HA H 5 4.623 4.623 4.805 -0.182 25508 7206 1 16 . 1 1 5 5 ILE C C 5 174.207 174.207 173.897 0.310 25508 7207 1 16 . 1 1 5 5 ILE CA C 5 58.353 58.353 59.514 -1.161 25508 7208 1 16 . 1 1 5 5 ILE CB C 5 42.910 42.910 42.160 0.750 25508 7209 1 16 . 1 1 5 5 ILE H H 5 8.860 8.860 8.610 0.250 25508 7210 1 16 . 1 1 6 6 HIS N N 6 120.378 120.378 118.593 1.785 25508 7211 1 16 . 1 1 6 6 HIS HA H 6 4.301 4.301 5.132 -0.831 25508 7212 1 16 . 1 1 6 6 HIS C C 6 173.087 173.087 175.116 -2.029 25508 7213 1 16 . 1 1 6 6 HIS CA C 6 56.131 56.131 53.778 2.353 25508 7214 1 16 . 1 1 6 6 HIS CB C 6 28.508 28.508 28.426 0.082 25508 7215 1 16 . 1 1 6 6 HIS H H 6 8.506 8.506 8.230 0.276 25508 7216 1 16 . 1 1 7 7 CYS N N 7 131.021 131.021 121.653 9.368 25508 7217 1 16 . 1 1 7 7 CYS HA H 7 4.154 4.154 4.281 -0.127 25508 7218 1 16 . 1 1 7 7 CYS C C 7 177.621 177.621 175.757 1.864 25508 7219 1 16 . 1 1 7 7 CYS CA C 7 61.346 61.346 58.865 2.481 25508 7220 1 16 . 1 1 7 7 CYS CB C 7 31.004 31.004 26.982 4.022 25508 7221 1 16 . 1 1 7 7 CYS H H 7 7.873 7.873 7.904 -0.031 25508 7222 1 16 . 1 1 8 8 ALA N N 8 133.325 133.325 128.619 4.706 25508 7223 1 16 . 1 1 8 8 ALA HA H 8 4.229 4.229 3.617 0.612 25508 7224 1 16 . 1 1 8 8 ALA C C 8 178.608 178.608 177.860 0.748 25508 7225 1 16 . 1 1 8 8 ALA CA C 8 54.478 54.478 53.427 1.051 25508 7226 1 16 . 1 1 8 8 ALA CB C 8 19.264 19.264 17.522 1.742 25508 7227 1 16 . 1 1 8 8 ALA H H 8 9.543 9.543 7.598 1.945 25508 7228 1 16 . 1 1 9 9 LYS N N 9 122.128 122.128 116.707 5.421 25508 7229 1 16 . 1 1 9 9 LYS CA C 9 56.353 56.353 57.767 -1.415 25508 7230 1 16 . 1 1 9 9 LYS CB C 9 33.619 33.619 32.280 1.339 25508 7231 1 16 . 1 1 9 9 LYS H H 9 9.739 9.739 8.089 1.650 25508 7232 1 16 . 1 1 10 10 LEU HA H 10 4.194 4.194 4.766 -0.572 25508 7233 1 16 . 1 1 10 10 LEU C C 10 178.870 178.870 177.807 1.063 25508 7234 1 16 . 1 1 10 10 LEU CA C 10 55.934 55.934 54.984 0.950 25508 7235 1 16 . 1 1 10 10 LEU CB C 10 42.693 42.693 44.173 -1.480 25508 7236 1 16 . 1 1 11 11 GLY N N 11 107.385 107.385 106.152 1.233 25508 7237 1 16 . 1 1 11 11 GLY C C 11 173.268 173.268 173.441 -0.173 25508 7238 1 16 . 1 1 11 11 GLY CA C 11 46.756 46.756 44.864 1.892 25508 7239 1 16 . 1 1 11 11 GLY H H 11 8.258 8.258 8.251 0.007 25508 7240 1 16 . 1 1 12 12 LYS N N 12 112.456 112.456 118.789 -6.333 25508 7241 1 16 . 1 1 12 12 LYS HA H 12 4.547 4.547 4.611 -0.064 25508 7242 1 16 . 1 1 12 12 LYS C C 12 173.822 173.822 174.427 -0.605 25508 7243 1 16 . 1 1 12 12 LYS CA C 12 53.523 53.523 54.066 -0.543 25508 7244 1 16 . 1 1 12 12 LYS CB C 12 35.156 35.156 35.691 -0.535 25508 7245 1 16 . 1 1 12 12 LYS H H 12 6.772 6.772 7.637 -0.865 25508 7246 1 16 . 1 1 13 13 GLU N N 13 121.058 121.058 119.602 1.456 25508 7247 1 16 . 1 1 13 13 GLU HA H 13 4.874 4.874 4.607 0.267 25508 7248 1 16 . 1 1 13 13 GLU C C 13 176.290 176.290 175.555 0.735 25508 7249 1 16 . 1 1 13 13 GLU CA C 13 56.291 56.291 56.055 0.236 25508 7250 1 16 . 1 1 13 13 GLU CB C 13 29.827 29.827 30.587 -0.760 25508 7251 1 16 . 1 1 13 13 GLU H H 13 8.402 8.402 8.600 -0.198 25508 7252 1 16 . 1 1 14 14 ALA N N 14 127.978 127.978 128.591 -0.613 25508 7253 1 16 . 1 1 14 14 ALA HA H 14 4.514 4.514 4.655 -0.141 25508 7254 1 16 . 1 1 14 14 ALA C C 14 175.156 175.156 175.507 -0.351 25508 7255 1 16 . 1 1 14 14 ALA CA C 14 51.437 51.437 50.566 0.871 25508 7256 1 16 . 1 1 14 14 ALA CB C 14 23.586 23.586 22.158 1.428 25508 7257 1 16 . 1 1 14 14 ALA H H 14 9.330 9.330 8.811 0.519 25508 7258 1 16 . 1 1 15 15 GLU N N 15 120.272 120.272 119.070 1.202 25508 7259 1 16 . 1 1 15 15 GLU HA H 15 4.573 4.573 4.703 -0.130 25508 7260 1 16 . 1 1 15 15 GLU C C 15 178.292 178.292 176.994 1.298 25508 7261 1 16 . 1 1 15 15 GLU CA C 15 57.645 57.645 55.362 2.283 25508 7262 1 16 . 1 1 15 15 GLU CB C 15 30.016 30.016 30.531 -0.515 25508 7263 1 16 . 1 1 15 15 GLU H H 15 8.560 8.560 8.500 0.060 25508 7264 1 16 . 1 1 16 16 GLY N N 16 113.246 113.246 109.656 3.590 25508 7265 1 16 . 1 1 16 16 GLY C C 16 172.877 172.877 174.254 -1.377 25508 7266 1 16 . 1 1 16 16 GLY CA C 16 44.636 44.636 43.985 0.651 25508 7267 1 16 . 1 1 16 16 GLY H H 16 9.236 9.236 8.190 1.046 25508 7268 1 16 . 1 1 17 17 LEU N N 17 120.058 120.058 119.564 0.494 25508 7269 1 16 . 1 1 17 17 LEU HA H 17 3.960 3.960 4.368 -0.408 25508 7270 1 16 . 1 1 17 17 LEU C C 17 177.457 177.457 176.353 1.104 25508 7271 1 16 . 1 1 17 17 LEU CA C 17 55.375 55.375 54.746 0.629 25508 7272 1 16 . 1 1 17 17 LEU CB C 17 43.355 43.355 42.729 0.626 25508 7273 1 16 . 1 1 17 17 LEU H H 17 9.482 9.482 7.972 1.510 25508 7274 1 16 . 1 1 18 18 ASP N N 18 118.600 118.600 117.279 1.321 25508 7275 1 16 . 1 1 18 18 ASP HA H 18 4.531 4.531 4.473 0.058 25508 7276 1 16 . 1 1 18 18 ASP C C 18 175.929 175.929 174.178 1.751 25508 7277 1 16 . 1 1 18 18 ASP CA C 18 56.544 56.544 53.437 3.107 25508 7278 1 16 . 1 1 18 18 ASP CB C 18 41.655 41.655 40.151 1.504 25508 7279 1 16 . 1 1 18 18 ASP H H 18 8.848 8.848 8.395 0.453 25508 7280 1 16 . 1 1 19 19 PHE N N 19 113.195 113.195 119.629 -6.434 25508 7281 1 16 . 1 1 19 19 PHE CA C 19 55.070 55.070 54.973 0.097 25508 7282 1 16 . 1 1 19 19 PHE CB C 19 38.588 38.588 42.014 -3.426 25508 7283 1 16 . 1 1 19 19 PHE H H 19 7.108 7.108 7.289 -0.181 25508 7284 1 16 . 1 1 21 21 PRO HA H 21 4.357 4.357 4.475 -0.118 25508 7285 1 16 . 1 1 21 21 PRO C C 21 174.627 174.627 175.648 -1.021 25508 7286 1 16 . 1 1 21 21 PRO CA C 21 63.914 63.914 64.170 -0.256 25508 7287 1 16 . 1 1 21 21 PRO CB C 21 31.431 31.431 32.919 -1.488 25508 7288 1 16 . 1 1 22 22 LEU N N 22 117.643 117.643 116.253 1.390 25508 7289 1 16 . 1 1 22 22 LEU CA C 22 51.462 51.462 51.945 -0.483 25508 7290 1 16 . 1 1 22 22 LEU CB C 22 46.011 46.011 44.748 1.263 25508 7291 1 16 . 1 1 22 22 LEU H H 22 6.788 6.788 7.469 -0.681 25508 7292 1 16 . 1 1 24 24 GLY N N 24 105.443 105.443 108.061 -2.618 25508 7293 1 16 . 1 1 24 24 GLY C C 24 175.297 175.297 175.386 -0.089 25508 7294 1 16 . 1 1 24 24 GLY CA C 24 45.381 45.381 43.684 1.697 25508 7295 1 16 . 1 1 24 24 GLY H H 24 8.367 8.367 7.561 0.806 25508 7296 1 16 . 1 1 25 25 GLU N N 25 122.031 122.031 118.934 3.097 25508 7297 1 16 . 1 1 25 25 GLU HA H 25 3.887 3.887 4.149 -0.262 25508 7298 1 16 . 1 1 25 25 GLU C C 25 179.015 179.015 177.032 1.983 25508 7299 1 16 . 1 1 25 25 GLU CA C 25 59.283 59.283 58.404 0.879 25508 7300 1 16 . 1 1 25 25 GLU CB C 25 29.176 29.176 29.706 -0.530 25508 7301 1 16 . 1 1 25 25 GLU H H 25 8.737 8.737 8.857 -0.120 25508 7302 1 16 . 1 1 26 26 LEU N N 26 120.531 120.531 118.880 1.651 25508 7303 1 16 . 1 1 26 26 LEU HA H 26 4.104 4.104 4.306 -0.202 25508 7304 1 16 . 1 1 26 26 LEU C C 26 178.836 178.836 178.127 0.709 25508 7305 1 16 . 1 1 26 26 LEU CA C 26 57.981 57.981 56.517 1.464 25508 7306 1 16 . 1 1 26 26 LEU CB C 26 40.939 40.939 41.740 -0.802 25508 7307 1 16 . 1 1 26 26 LEU H H 26 8.852 8.852 7.719 1.133 25508 7308 1 16 . 1 1 27 27 GLY N N 27 102.599 102.599 107.231 -4.632 25508 7309 1 16 . 1 1 27 27 GLY C C 27 175.874 175.874 175.680 0.194 25508 7310 1 16 . 1 1 27 27 GLY CA C 27 48.024 48.024 47.495 0.529 25508 7311 1 16 . 1 1 27 27 GLY H H 27 6.894 6.894 7.811 -0.917 25508 7312 1 16 . 1 1 28 28 LYS N N 28 122.738 122.738 119.522 3.216 25508 7313 1 16 . 1 1 28 28 LYS HA H 28 3.914 3.914 4.415 -0.501 25508 7314 1 16 . 1 1 28 28 LYS C C 28 177.965 177.965 178.224 -0.259 25508 7315 1 16 . 1 1 28 28 LYS CA C 28 59.844 59.844 59.015 0.829 25508 7316 1 16 . 1 1 28 28 LYS CB C 28 32.169 32.169 32.051 0.118 25508 7317 1 16 . 1 1 28 28 LYS H H 28 7.449 7.449 7.700 -0.251 25508 7318 1 16 . 1 1 29 29 ARG N N 29 119.988 119.988 116.542 3.446 25508 7319 1 16 . 1 1 29 29 ARG HA H 29 3.998 3.998 4.221 -0.223 25508 7320 1 16 . 1 1 29 29 ARG CA C 29 59.876 59.876 57.019 2.857 25508 7321 1 16 . 1 1 29 29 ARG CB C 29 30.829 30.829 30.541 0.288 25508 7322 1 16 . 1 1 29 29 ARG H H 29 8.194 8.194 7.584 0.610 25508 7323 1 16 . 1 1 30 30 LEU N N 30 119.547 119.547 120.414 -0.867 25508 7324 1 16 . 1 1 30 30 LEU HA H 30 3.849 3.849 4.146 -0.297 25508 7325 1 16 . 1 1 30 30 LEU C C 30 177.351 177.351 178.869 -1.518 25508 7326 1 16 . 1 1 30 30 LEU CA C 30 58.068 58.068 57.644 0.424 25508 7327 1 16 . 1 1 30 30 LEU CB C 30 41.547 41.547 42.623 -1.076 25508 7328 1 16 . 1 1 30 30 LEU H H 30 8.333 8.333 7.904 0.429 25508 7329 1 16 . 1 1 31 31 TYR N N 31 118.033 118.033 116.844 1.189 25508 7330 1 16 . 1 1 31 31 TYR HA H 31 3.895 3.895 4.185 -0.290 25508 7331 1 16 . 1 1 31 31 TYR C C 31 178.434 178.434 176.785 1.649 25508 7332 1 16 . 1 1 31 31 TYR CA C 31 61.391 61.391 60.095 1.296 25508 7333 1 16 . 1 1 31 31 TYR CB C 31 39.083 39.083 37.733 1.350 25508 7334 1 16 . 1 1 31 31 TYR H H 31 8.106 8.106 7.981 0.125 25508 7335 1 16 . 1 1 32 32 GLU N N 32 117.126 117.126 115.472 1.654 25508 7336 1 16 . 1 1 32 32 GLU HA H 32 3.926 3.926 3.860 0.066 25508 7337 1 16 . 1 1 32 32 GLU C C 32 178.370 178.370 176.355 2.015 25508 7338 1 16 . 1 1 32 32 GLU CA C 32 58.603 58.603 57.297 1.306 25508 7339 1 16 . 1 1 32 32 GLU CB C 32 30.580 30.580 29.376 1.204 25508 7340 1 16 . 1 1 32 32 GLU H H 32 8.260 8.260 8.003 0.257 25508 7341 1 16 . 1 1 33 33 SER N N 33 108.887 108.887 112.786 -3.899 25508 7342 1 16 . 1 1 33 33 SER HA H 33 4.910 4.910 4.281 0.629 25508 7343 1 16 . 1 1 33 33 SER C C 33 171.776 171.776 174.641 -2.865 25508 7344 1 16 . 1 1 33 33 SER CA C 33 60.399 60.399 59.191 1.208 25508 7345 1 16 . 1 1 33 33 SER CB C 33 67.057 67.057 64.999 2.058 25508 7346 1 16 . 1 1 33 33 SER H H 33 7.553 7.553 7.760 -0.207 25508 7347 1 16 . 1 1 34 34 VAL N N 34 120.097 120.097 122.811 -2.714 25508 7348 1 16 . 1 1 34 34 VAL CA C 34 61.287 61.287 61.928 -0.642 25508 7349 1 16 . 1 1 34 34 VAL CB C 34 34.048 34.048 32.518 1.530 25508 7350 1 16 . 1 1 34 34 VAL H H 34 8.396 8.396 8.051 0.345 25508 7351 1 16 . 1 1 35 35 SER HA H 35 4.107 4.107 5.028 -0.921 25508 7352 1 16 . 1 1 35 35 SER C C 35 174.321 174.321 174.673 -0.352 25508 7353 1 16 . 1 1 35 35 SER CA C 35 58.771 58.771 56.553 2.218 25508 7354 1 16 . 1 1 35 35 SER CB C 35 66.899 66.899 65.686 1.214 25508 7355 1 16 . 1 1 36 36 LYS N N 36 119.115 119.115 122.277 -3.162 25508 7356 1 16 . 1 1 36 36 LYS HA H 36 4.016 4.016 4.021 -0.005 25508 7357 1 16 . 1 1 36 36 LYS C C 36 179.407 179.407 178.089 1.318 25508 7358 1 16 . 1 1 36 36 LYS CA C 36 60.728 60.728 59.748 0.980 25508 7359 1 16 . 1 1 36 36 LYS CB C 36 32.746 32.746 32.544 0.202 25508 7360 1 16 . 1 1 36 36 LYS H H 36 8.562 8.562 8.707 -0.145 25508 7361 1 16 . 1 1 37 37 GLN N N 37 118.142 118.142 117.709 0.433 25508 7362 1 16 . 1 1 37 37 GLN HA H 37 3.970 3.970 4.317 -0.347 25508 7363 1 16 . 1 1 37 37 GLN C C 37 177.580 177.580 177.020 0.560 25508 7364 1 16 . 1 1 37 37 GLN CA C 37 59.134 59.134 58.228 0.905 25508 7365 1 16 . 1 1 37 37 GLN CB C 37 28.534 28.534 28.463 0.071 25508 7366 1 16 . 1 1 37 37 GLN H H 37 8.958 8.958 8.333 0.625 25508 7367 1 16 . 1 1 38 38 ALA N N 38 121.173 121.173 122.459 -1.286 25508 7368 1 16 . 1 1 38 38 ALA HA H 38 4.409 4.409 4.229 0.180 25508 7369 1 16 . 1 1 38 38 ALA C C 38 181.081 181.081 179.134 1.947 25508 7370 1 16 . 1 1 38 38 ALA CA C 38 55.065 55.065 53.986 1.079 25508 7371 1 16 . 1 1 38 38 ALA CB C 38 19.574 19.574 18.257 1.317 25508 7372 1 16 . 1 1 38 38 ALA H H 38 8.233 8.233 7.988 0.245 25508 7373 1 16 . 1 1 39 39 TRP N N 39 121.046 121.046 120.834 0.212 25508 7374 1 16 . 1 1 39 39 TRP HA H 39 4.898 4.898 4.369 0.529 25508 7375 1 16 . 1 1 39 39 TRP C C 39 176.886 176.886 177.163 -0.277 25508 7376 1 16 . 1 1 39 39 TRP CA C 39 60.403 60.403 61.187 -0.784 25508 7377 1 16 . 1 1 39 39 TRP CB C 39 30.640 30.640 29.609 1.031 25508 7378 1 16 . 1 1 39 39 TRP H H 39 8.891 8.891 8.979 -0.088 25508 7379 1 16 . 1 1 40 40 GLN N N 40 117.010 117.010 117.109 -0.099 25508 7380 1 16 . 1 1 40 40 GLN HA H 40 3.715 3.715 3.851 -0.136 25508 7381 1 16 . 1 1 40 40 GLN C C 40 179.512 179.512 178.389 1.123 25508 7382 1 16 . 1 1 40 40 GLN CA C 40 59.159 59.159 59.005 0.154 25508 7383 1 16 . 1 1 40 40 GLN CB C 40 27.821 27.821 27.431 0.390 25508 7384 1 16 . 1 1 40 40 GLN H H 40 8.541 8.541 7.882 0.659 25508 7385 1 16 . 1 1 41 41 ASP N N 41 120.036 120.036 120.301 -0.265 25508 7386 1 16 . 1 1 41 41 ASP HA H 41 4.396 4.396 4.426 -0.030 25508 7387 1 16 . 1 1 41 41 ASP C C 41 179.637 179.637 178.065 1.572 25508 7388 1 16 . 1 1 41 41 ASP CA C 41 57.571 57.571 56.933 0.638 25508 7389 1 16 . 1 1 41 41 ASP CB C 41 40.205 40.205 40.759 -0.554 25508 7390 1 16 . 1 1 41 41 ASP H H 41 8.119 8.119 7.683 0.436 25508 7391 1 16 . 1 1 42 42 TRP N N 42 123.295 123.295 121.941 1.354 25508 7392 1 16 . 1 1 42 42 TRP HA H 42 3.992 3.992 4.180 -0.188 25508 7393 1 16 . 1 1 42 42 TRP C C 42 176.559 176.559 177.977 -1.418 25508 7394 1 16 . 1 1 42 42 TRP CA C 42 58.825 58.825 59.614 -0.789 25508 7395 1 16 . 1 1 42 42 TRP CB C 42 30.101 30.101 29.990 0.111 25508 7396 1 16 . 1 1 42 42 TRP H H 42 8.015 8.015 8.316 -0.301 25508 7397 1 16 . 1 1 43 43 LEU N N 43 118.444 118.444 116.412 2.032 25508 7398 1 16 . 1 1 43 43 LEU HA H 43 3.073 3.073 3.336 -0.263 25508 7399 1 16 . 1 1 43 43 LEU C C 43 180.127 180.127 178.020 2.107 25508 7400 1 16 . 1 1 43 43 LEU CA C 43 57.710 57.710 56.978 0.732 25508 7401 1 16 . 1 1 43 43 LEU CB C 43 40.675 40.675 40.766 -0.091 25508 7402 1 16 . 1 1 43 43 LEU H H 43 8.027 8.027 7.763 0.264 25508 7403 1 16 . 1 1 44 44 LYS N N 44 117.577 117.577 119.936 -2.359 25508 7404 1 16 . 1 1 44 44 LYS HA H 44 3.871 3.871 3.827 0.044 25508 7405 1 16 . 1 1 44 44 LYS C C 44 179.010 179.010 178.659 0.351 25508 7406 1 16 . 1 1 44 44 LYS CA C 44 59.496 59.496 60.101 -0.605 25508 7407 1 16 . 1 1 44 44 LYS CB C 44 32.301 32.301 32.332 -0.031 25508 7408 1 16 . 1 1 44 44 LYS H H 44 7.065 7.065 7.371 -0.306 25508 7409 1 16 . 1 1 45 45 GLN N N 45 120.755 120.755 118.051 2.704 25508 7410 1 16 . 1 1 45 45 GLN HA H 45 3.834 3.834 3.928 -0.094 25508 7411 1 16 . 1 1 45 45 GLN C C 45 177.807 177.807 178.332 -0.525 25508 7412 1 16 . 1 1 45 45 GLN CA C 45 57.760 57.760 58.419 -0.659 25508 7413 1 16 . 1 1 45 45 GLN CB C 45 27.623 27.623 27.990 -0.367 25508 7414 1 16 . 1 1 45 45 GLN H H 45 7.033 7.033 7.777 -0.744 25508 7415 1 16 . 1 1 46 46 GLN N N 46 120.768 120.768 118.652 2.116 25508 7416 1 16 . 1 1 46 46 GLN HA H 46 3.065 3.065 3.765 -0.700 25508 7417 1 16 . 1 1 46 46 GLN C C 46 177.167 177.167 177.899 -0.732 25508 7418 1 16 . 1 1 46 46 GLN CA C 46 59.136 59.136 59.189 -0.053 25508 7419 1 16 . 1 1 46 46 GLN CB C 46 28.416 28.416 28.098 0.318 25508 7420 1 16 . 1 1 46 46 GLN H H 46 8.346 8.346 7.336 1.010 25508 7421 1 16 . 1 1 47 47 THR N N 47 114.925 114.925 116.055 -1.130 25508 7422 1 16 . 1 1 47 47 THR HA H 47 3.690 3.690 4.120 -0.430 25508 7423 1 16 . 1 1 47 47 THR C C 47 175.615 175.615 176.106 -0.491 25508 7424 1 16 . 1 1 47 47 THR CA C 47 66.804 66.804 66.459 0.345 25508 7425 1 16 . 1 1 47 47 THR CB C 47 68.895 68.895 68.624 0.271 25508 7426 1 16 . 1 1 47 47 THR H H 47 7.629 7.629 7.498 0.131 25508 7427 1 16 . 1 1 48 48 MET N N 48 120.050 120.050 120.877 -0.827 25508 7428 1 16 . 1 1 48 48 MET HA H 48 4.117 4.117 4.176 -0.059 25508 7429 1 16 . 1 1 48 48 MET C C 48 177.928 177.928 177.843 0.085 25508 7430 1 16 . 1 1 48 48 MET CA C 48 59.041 59.041 58.363 0.678 25508 7431 1 16 . 1 1 48 48 MET CB C 48 31.985 31.985 31.582 0.403 25508 7432 1 16 . 1 1 48 48 MET H H 48 7.077 7.077 7.700 -0.623 25508 7433 1 16 . 1 1 49 49 LEU N N 49 120.156 120.156 120.697 -0.541 25508 7434 1 16 . 1 1 49 49 LEU HA H 49 3.991 3.991 4.167 -0.176 25508 7435 1 16 . 1 1 49 49 LEU C C 49 180.284 180.284 178.640 1.644 25508 7436 1 16 . 1 1 49 49 LEU CA C 49 58.157 58.157 57.782 0.376 25508 7437 1 16 . 1 1 49 49 LEU CB C 49 42.723 42.723 42.514 0.209 25508 7438 1 16 . 1 1 49 49 LEU H H 49 7.982 7.982 7.485 0.497 25508 7439 1 16 . 1 1 50 50 ILE N N 50 119.987 119.987 119.975 0.012 25508 7440 1 16 . 1 1 50 50 ILE HA H 50 3.487 3.487 3.516 -0.029 25508 7441 1 16 . 1 1 50 50 ILE C C 50 178.074 178.074 178.364 -0.290 25508 7442 1 16 . 1 1 50 50 ILE CA C 50 65.734 65.734 65.772 -0.037 25508 7443 1 16 . 1 1 50 50 ILE CB C 50 38.622 38.622 37.596 1.026 25508 7444 1 16 . 1 1 50 50 ILE H H 50 8.275 8.275 7.865 0.410 25508 7445 1 16 . 1 1 51 51 ASN N N 51 117.331 117.331 117.013 0.318 25508 7446 1 16 . 1 1 51 51 ASN HA H 51 4.493 4.493 4.416 0.077 25508 7447 1 16 . 1 1 51 51 ASN C C 51 178.621 178.621 176.723 1.898 25508 7448 1 16 . 1 1 51 51 ASN CA C 51 55.787 55.787 56.503 -0.716 25508 7449 1 16 . 1 1 51 51 ASN CB C 51 38.273 38.273 38.638 -0.365 25508 7450 1 16 . 1 1 51 51 ASN H H 51 7.902 7.902 8.445 -0.543 25508 7451 1 16 . 1 1 52 52 GLU N N 52 120.128 120.128 119.236 0.892 25508 7452 1 16 . 1 1 52 52 GLU HA H 52 4.006 4.006 4.170 -0.164 25508 7453 1 16 . 1 1 52 52 GLU C C 52 177.628 177.628 178.424 -0.796 25508 7454 1 16 . 1 1 52 52 GLU CA C 52 59.034 59.034 58.321 0.713 25508 7455 1 16 . 1 1 52 52 GLU CB C 52 29.714 29.714 29.683 0.031 25508 7456 1 16 . 1 1 52 52 GLU H H 52 8.958 8.958 7.610 1.348 25508 7457 1 16 . 1 1 53 53 ASN N N 53 112.872 112.872 115.069 -2.197 25508 7458 1 16 . 1 1 53 53 ASN HA H 53 4.666 4.666 4.543 0.123 25508 7459 1 16 . 1 1 53 53 ASN C C 53 173.022 173.022 175.112 -2.090 25508 7460 1 16 . 1 1 53 53 ASN CA C 53 53.416 53.416 53.874 -0.458 25508 7461 1 16 . 1 1 53 53 ASN CB C 53 38.938 38.938 38.877 0.061 25508 7462 1 16 . 1 1 53 53 ASN H H 53 7.535 7.535 8.143 -0.608 25508 7463 1 16 . 1 1 54 54 ARG N N 54 118.579 118.579 115.143 3.436 25508 7464 1 16 . 1 1 54 54 ARG HA H 54 3.975 3.975 4.026 -0.051 25508 7465 1 16 . 1 1 54 54 ARG C C 54 176.170 176.170 175.358 0.812 25508 7466 1 16 . 1 1 54 54 ARG CA C 54 56.615 56.615 56.602 0.013 25508 7467 1 16 . 1 1 54 54 ARG CB C 54 27.180 27.180 26.857 0.323 25508 7468 1 16 . 1 1 54 54 ARG H H 54 7.696 7.696 7.594 0.102 25508 7469 1 16 . 1 1 55 55 LEU N N 55 116.705 116.705 118.991 -2.286 25508 7470 1 16 . 1 1 55 55 LEU HA H 55 4.097 4.097 4.331 -0.234 25508 7471 1 16 . 1 1 55 55 LEU C C 55 176.242 176.242 177.144 -0.902 25508 7472 1 16 . 1 1 55 55 LEU CA C 55 55.099 55.099 53.809 1.290 25508 7473 1 16 . 1 1 55 55 LEU CB C 55 42.694 42.694 42.691 0.003 25508 7474 1 16 . 1 1 55 55 LEU H H 55 7.927 7.927 7.634 0.293 25508 7475 1 16 . 1 1 56 56 ASN N N 56 120.616 120.616 118.763 1.853 25508 7476 1 16 . 1 1 56 56 ASN HA H 56 4.708 4.708 4.957 -0.249 25508 7477 1 16 . 1 1 56 56 ASN C C 56 176.058 176.058 175.669 0.389 25508 7478 1 16 . 1 1 56 56 ASN CA C 56 51.440 51.440 51.575 -0.135 25508 7479 1 16 . 1 1 56 56 ASN CB C 56 38.554 38.554 38.083 0.471 25508 7480 1 16 . 1 1 56 56 ASN H H 56 8.530 8.530 8.534 -0.004 25508 7481 1 16 . 1 1 57 57 MET N N 57 121.659 121.659 123.219 -1.560 25508 7482 1 16 . 1 1 57 57 MET HA H 57 4.341 4.341 4.068 0.273 25508 7483 1 16 . 1 1 57 57 MET C C 57 176.694 176.694 177.113 -0.419 25508 7484 1 16 . 1 1 57 57 MET CA C 57 55.717 55.717 58.914 -3.197 25508 7485 1 16 . 1 1 57 57 MET CB C 57 30.266 30.266 32.426 -2.160 25508 7486 1 16 . 1 1 57 57 MET H H 57 8.628 8.628 8.611 0.017 25508 7487 1 16 . 1 1 58 58 ALA N N 58 120.515 120.515 120.640 -0.125 25508 7488 1 16 . 1 1 58 58 ALA HA H 58 4.267 4.267 4.148 0.119 25508 7489 1 16 . 1 1 58 58 ALA C C 58 177.625 177.625 177.919 -0.294 25508 7490 1 16 . 1 1 58 58 ALA CA C 58 52.643 52.643 53.303 -0.660 25508 7491 1 16 . 1 1 58 58 ALA CB C 58 18.667 18.667 18.980 -0.313 25508 7492 1 16 . 1 1 58 58 ALA H H 58 7.988 7.988 7.910 0.078 25508 7493 1 16 . 1 1 59 59 ASP N N 59 121.926 121.926 116.827 5.099 25508 7494 1 16 . 1 1 59 59 ASP CA C 59 50.871 50.871 51.639 -0.768 25508 7495 1 16 . 1 1 59 59 ASP CB C 59 42.450 42.450 41.816 0.634 25508 7496 1 16 . 1 1 59 59 ASP H H 59 8.024 8.024 7.843 0.181 25508 7497 1 16 . 1 1 60 60 PRO HA H 60 4.186 4.186 4.384 -0.198 25508 7498 1 16 . 1 1 60 60 PRO C C 60 179.232 179.232 177.705 1.527 25508 7499 1 16 . 1 1 60 60 PRO CA C 60 65.347 65.347 64.233 1.115 25508 7500 1 16 . 1 1 60 60 PRO CB C 60 32.399 32.399 32.273 0.126 25508 7501 1 16 . 1 1 61 61 ARG N N 61 117.390 117.390 118.426 -1.036 25508 7502 1 16 . 1 1 61 61 ARG HA H 61 4.107 4.107 4.135 -0.028 25508 7503 1 16 . 1 1 61 61 ARG C C 61 179.817 179.817 178.143 1.674 25508 7504 1 16 . 1 1 61 61 ARG CA C 61 59.098 59.098 58.578 0.520 25508 7505 1 16 . 1 1 61 61 ARG CB C 61 29.670 29.670 28.942 0.728 25508 7506 1 16 . 1 1 61 61 ARG H H 61 8.597 8.597 8.505 0.092 25508 7507 1 16 . 1 1 62 62 ALA N N 62 124.172 124.172 120.274 3.898 25508 7508 1 16 . 1 1 62 62 ALA HA H 62 4.201 4.201 4.336 -0.135 25508 7509 1 16 . 1 1 62 62 ALA C C 62 179.726 179.726 179.519 0.207 25508 7510 1 16 . 1 1 62 62 ALA CA C 62 55.011 55.011 54.389 0.622 25508 7511 1 16 . 1 1 62 62 ALA CB C 62 19.251 19.251 18.558 0.693 25508 7512 1 16 . 1 1 62 62 ALA H H 62 7.597 7.597 7.610 -0.013 25508 7513 1 16 . 1 1 63 63 ARG N N 63 116.483 116.483 117.450 -0.967 25508 7514 1 16 . 1 1 63 63 ARG HA H 63 3.985 3.985 4.355 -0.370 25508 7515 1 16 . 1 1 63 63 ARG C C 63 179.234 179.234 178.845 0.389 25508 7516 1 16 . 1 1 63 63 ARG CA C 63 60.029 60.029 57.516 2.513 25508 7517 1 16 . 1 1 63 63 ARG CB C 63 29.806 29.806 29.582 0.224 25508 7518 1 16 . 1 1 63 63 ARG H H 63 7.640 7.640 8.057 -0.417 25508 7519 1 16 . 1 1 64 64 GLN N N 64 119.143 119.143 117.759 1.384 25508 7520 1 16 . 1 1 64 64 GLN HA H 64 4.095 4.095 4.294 -0.199 25508 7521 1 16 . 1 1 64 64 GLN C C 64 178.261 178.261 176.898 1.363 25508 7522 1 16 . 1 1 64 64 GLN CA C 64 59.183 59.183 57.825 1.358 25508 7523 1 16 . 1 1 64 64 GLN CB C 64 28.266 28.266 29.369 -1.103 25508 7524 1 16 . 1 1 64 64 GLN H H 64 8.114 8.114 7.836 0.278 25508 7525 1 16 . 1 1 65 65 TYR N N 65 121.413 121.413 119.093 2.320 25508 7526 1 16 . 1 1 65 65 TYR HA H 65 4.321 4.321 4.469 -0.148 25508 7527 1 16 . 1 1 65 65 TYR C C 65 180.478 180.478 176.929 3.549 25508 7528 1 16 . 1 1 65 65 TYR CA C 65 61.407 61.407 60.351 1.056 25508 7529 1 16 . 1 1 65 65 TYR CB C 65 37.831 37.831 39.414 -1.583 25508 7530 1 16 . 1 1 65 65 TYR H H 65 7.929 7.929 7.669 0.260 25508 7531 1 16 . 1 1 66 66 LEU N N 66 119.499 119.499 121.246 -1.747 25508 7532 1 16 . 1 1 66 66 LEU HA H 66 3.870 3.870 4.030 -0.160 25508 7533 1 16 . 1 1 66 66 LEU C C 66 180.847 180.847 179.148 1.699 25508 7534 1 16 . 1 1 66 66 LEU CA C 66 57.959 57.959 57.368 0.591 25508 7535 1 16 . 1 1 66 66 LEU CB C 66 41.522 41.522 42.336 -0.813 25508 7536 1 16 . 1 1 66 66 LEU H H 66 8.328 8.328 7.692 0.636 25508 7537 1 16 . 1 1 67 67 MET N N 67 122.316 122.316 115.465 6.851 25508 7538 1 16 . 1 1 67 67 MET HA H 67 4.100 4.100 4.202 -0.102 25508 7539 1 16 . 1 1 67 67 MET C C 67 178.402 178.402 177.315 1.087 25508 7540 1 16 . 1 1 67 67 MET CA C 67 59.693 59.693 58.545 1.148 25508 7541 1 16 . 1 1 67 67 MET CB C 67 32.202 32.202 32.023 0.179 25508 7542 1 16 . 1 1 67 67 MET H H 67 8.480 8.480 7.754 0.726 25508 7543 1 16 . 1 1 68 68 LYS N N 68 120.460 120.460 118.234 2.226 25508 7544 1 16 . 1 1 68 68 LYS HA H 68 4.160 4.160 4.099 0.061 25508 7545 1 16 . 1 1 68 68 LYS C C 68 179.963 179.963 179.195 0.768 25508 7546 1 16 . 1 1 68 68 LYS CA C 68 58.857 58.857 58.570 0.287 25508 7547 1 16 . 1 1 68 68 LYS CB C 68 31.276 31.276 31.735 -0.459 25508 7548 1 16 . 1 1 68 68 LYS H H 68 8.024 8.024 7.588 0.436 25508 7549 1 16 . 1 1 69 69 GLN N N 69 117.834 117.834 116.571 1.263 25508 7550 1 16 . 1 1 69 69 GLN HA H 69 3.858 3.858 4.277 -0.419 25508 7551 1 16 . 1 1 69 69 GLN C C 69 178.013 178.013 176.772 1.241 25508 7552 1 16 . 1 1 69 69 GLN CA C 69 58.097 58.097 57.499 0.598 25508 7553 1 16 . 1 1 69 69 GLN CB C 69 27.601 27.601 28.948 -1.347 25508 7554 1 16 . 1 1 69 69 GLN H H 69 8.281 8.281 8.007 0.274 25508 7555 1 16 . 1 1 70 70 THR N N 70 119.066 119.066 113.844 5.222 25508 7556 1 16 . 1 1 70 70 THR HA H 70 2.666 2.666 3.894 -1.228 25508 7557 1 16 . 1 1 70 70 THR C C 70 175.189 175.189 175.789 -0.600 25508 7558 1 16 . 1 1 70 70 THR CA C 70 66.732 66.732 65.100 1.632 25508 7559 1 16 . 1 1 70 70 THR CB C 70 68.451 68.451 68.698 -0.247 25508 7560 1 16 . 1 1 70 70 THR H H 70 8.245 8.245 7.512 0.733 25508 7561 1 16 . 1 1 71 71 GLU N N 71 121.112 121.112 122.089 -0.977 25508 7562 1 16 . 1 1 71 71 GLU HA H 71 3.873 3.873 4.232 -0.359 25508 7563 1 16 . 1 1 71 71 GLU C C 71 177.903 177.903 178.587 -0.684 25508 7564 1 16 . 1 1 71 71 GLU CA C 71 60.325 60.325 59.524 0.801 25508 7565 1 16 . 1 1 71 71 GLU CB C 71 30.065 30.065 29.915 0.150 25508 7566 1 16 . 1 1 71 71 GLU H H 71 7.872 7.872 8.407 -0.535 25508 7567 1 16 . 1 1 72 72 LYS N N 72 118.112 118.112 118.454 -0.342 25508 7568 1 16 . 1 1 72 72 LYS HA H 72 3.853 3.853 4.129 -0.276 25508 7569 1 16 . 1 1 72 72 LYS C C 72 178.447 178.447 179.048 -0.601 25508 7570 1 16 . 1 1 72 72 LYS CA C 72 59.199 59.199 58.457 0.742 25508 7571 1 16 . 1 1 72 72 LYS CB C 72 32.705 32.705 31.399 1.306 25508 7572 1 16 . 1 1 72 72 LYS H H 72 7.932 7.932 7.690 0.242 25508 7573 1 16 . 1 1 73 73 TYR N N 73 119.703 119.703 120.765 -1.062 25508 7574 1 16 . 1 1 73 73 TYR HA H 73 3.704 3.704 4.173 -0.469 25508 7575 1 16 . 1 1 73 73 TYR C C 73 176.953 176.953 176.902 0.051 25508 7576 1 16 . 1 1 73 73 TYR CA C 73 61.540 61.540 61.011 0.529 25508 7577 1 16 . 1 1 73 73 TYR CB C 73 38.266 38.266 38.165 0.101 25508 7578 1 16 . 1 1 73 73 TYR H H 73 7.800 7.800 7.780 0.020 25508 7579 1 16 . 1 1 74 74 PHE N N 74 111.749 111.749 117.679 -5.930 25508 7580 1 16 . 1 1 74 74 PHE HA H 74 3.886 3.886 4.238 -0.352 25508 7581 1 16 . 1 1 74 74 PHE C C 74 176.300 176.300 176.891 -0.591 25508 7582 1 16 . 1 1 74 74 PHE CA C 74 61.784 61.784 58.782 3.002 25508 7583 1 16 . 1 1 74 74 PHE CB C 74 39.690 39.690 40.028 -0.338 25508 7584 1 16 . 1 1 74 74 PHE H H 74 7.139 7.139 7.430 -0.291 25508 7585 1 16 . 1 1 75 75 PHE N N 75 114.845 114.845 116.764 -1.919 25508 7586 1 16 . 1 1 75 75 PHE HA H 75 5.009 5.009 3.986 1.023 25508 7587 1 16 . 1 1 75 75 PHE C C 75 176.448 176.448 176.293 0.155 25508 7588 1 16 . 1 1 75 75 PHE CA C 75 56.575 56.575 57.946 -1.371 25508 7589 1 16 . 1 1 75 75 PHE CB C 75 40.353 40.353 38.926 1.427 25508 7590 1 16 . 1 1 75 75 PHE H H 75 8.275 8.275 7.047 1.228 25508 7591 1 16 . 1 1 76 76 GLY N N 76 109.977 109.977 106.049 3.928 25508 7592 1 16 . 1 1 76 76 GLY C C 76 173.602 173.602 174.845 -1.243 25508 7593 1 16 . 1 1 76 76 GLY CA C 76 45.375 45.375 44.742 0.633 25508 7594 1 16 . 1 1 76 76 GLY H H 76 7.836 7.836 7.470 0.366 25508 7595 1 16 . 1 1 77 77 GLU N N 77 120.068 120.068 120.769 -0.701 25508 7596 1 16 . 1 1 77 77 GLU HA H 77 4.259 4.259 4.122 0.137 25508 7597 1 16 . 1 1 77 77 GLU C C 77 176.925 176.925 177.004 -0.079 25508 7598 1 16 . 1 1 77 77 GLU CA C 77 56.647 56.647 57.347 -0.700 25508 7599 1 16 . 1 1 77 77 GLU CB C 77 30.694 30.694 29.803 0.891 25508 7600 1 16 . 1 1 77 77 GLU H H 77 8.445 8.445 8.501 -0.056 25508 7601 1 16 . 1 1 78 78 GLY N N 78 110.135 110.135 107.156 2.979 25508 7602 1 16 . 1 1 78 78 GLY C C 78 174.241 174.241 172.974 1.267 25508 7603 1 16 . 1 1 78 78 GLY CA C 78 45.368 45.368 45.055 0.313 25508 7604 1 16 . 1 1 78 78 GLY H H 78 8.457 8.457 7.868 0.589 25508 7605 1 16 . 1 1 79 79 ALA N N 79 123.773 123.773 124.428 -0.655 25508 7606 1 16 . 1 1 79 79 ALA HA H 79 4.208 4.208 4.509 -0.301 25508 7607 1 16 . 1 1 79 79 ALA C C 79 177.657 177.657 175.367 2.290 25508 7608 1 16 . 1 1 79 79 ALA CA C 79 52.782 52.782 51.864 0.918 25508 7609 1 16 . 1 1 79 79 ALA CB C 79 19.145 19.145 21.233 -2.088 25508 7610 1 16 . 1 1 79 79 ALA H H 79 8.195 8.195 7.995 0.200 25508 7611 1 16 . 1 1 80 80 ASP N N 80 118.833 118.833 121.550 -2.717 25508 7612 1 16 . 1 1 80 80 ASP HA H 80 4.473 4.473 4.770 -0.297 25508 7613 1 16 . 1 1 80 80 ASP C C 80 176.374 176.374 176.301 0.073 25508 7614 1 16 . 1 1 80 80 ASP CA C 80 54.383 54.383 53.344 1.039 25508 7615 1 16 . 1 1 80 80 ASP CB C 80 40.940 40.940 41.522 -0.582 25508 7616 1 16 . 1 1 80 80 ASP H H 80 8.347 8.347 8.360 -0.013 25508 7617 1 16 . 1 1 81 81 GLN N N 81 120.376 120.376 115.819 4.557 25508 7618 1 16 . 1 1 81 81 GLN HA H 81 4.225 4.225 3.882 0.343 25508 7619 1 16 . 1 1 81 81 GLN C C 81 176.029 176.029 174.388 1.641 25508 7620 1 16 . 1 1 81 81 GLN CA C 81 55.969 55.969 56.567 -0.598 25508 7621 1 16 . 1 1 81 81 GLN CB C 81 29.242 29.242 26.741 2.501 25508 7622 1 16 . 1 1 81 81 GLN H H 81 8.188 8.188 8.540 -0.352 25508 7623 1 16 . 1 1 82 82 ALA N N 82 124.734 124.734 120.752 3.982 25508 7624 1 16 . 1 1 82 82 ALA HA H 82 4.271 4.271 4.394 -0.123 25508 7625 1 16 . 1 1 82 82 ALA C C 82 178.011 178.011 175.910 2.101 25508 7626 1 16 . 1 1 82 82 ALA CA C 82 52.680 52.680 51.950 0.730 25508 7627 1 16 . 1 1 82 82 ALA CB C 82 19.023 19.023 19.552 -0.529 25508 7628 1 16 . 1 1 82 82 ALA H H 82 8.307 8.307 8.194 0.113 25508 7629 1 16 . 1 1 83 83 SER N N 83 114.999 114.999 113.333 1.666 25508 7630 1 16 . 1 1 83 83 SER HA H 83 4.368 4.368 4.624 -0.256 25508 7631 1 16 . 1 1 83 83 SER C C 83 175.141 175.141 173.199 1.942 25508 7632 1 16 . 1 1 83 83 SER CA C 83 58.843 58.843 58.150 0.693 25508 7633 1 16 . 1 1 83 83 SER CB C 83 63.849 63.849 65.023 -1.174 25508 7634 1 16 . 1 1 83 83 SER H H 83 8.269 8.269 7.780 0.489 25508 7635 1 16 . 1 1 84 84 GLY N N 84 110.722 110.722 109.039 1.683 25508 7636 1 16 . 1 1 84 84 GLY C C 84 173.457 173.457 172.348 1.109 25508 7637 1 16 . 1 1 84 84 GLY CA C 84 45.168 45.168 44.886 0.282 25508 7638 1 16 . 1 1 84 84 GLY H H 84 8.324 8.324 7.931 0.393 25508 7639 1 16 . 1 1 85 85 TYR N N 85 121.054 121.054 119.778 1.276 25508 7640 1 16 . 1 1 85 85 TYR HA H 85 4.395 4.395 5.305 -0.910 25508 7641 1 16 . 1 1 85 85 TYR C C 85 174.866 174.866 175.883 -1.017 25508 7642 1 16 . 1 1 85 85 TYR CA C 85 58.433 58.433 57.147 1.286 25508 7643 1 16 . 1 1 85 85 TYR CB C 85 38.856 38.856 41.263 -2.406 25508 7644 1 16 . 1 1 85 85 TYR H H 85 7.982 7.982 8.610 -0.628 25508 7645 1 16 . 1 1 86 86 VAL N N 86 127.973 127.973 123.026 4.947 25508 7646 1 16 . 1 1 86 86 VAL CA C 86 58.815 58.815 60.268 -1.453 25508 7647 1 16 . 1 1 86 86 VAL CB C 86 33.360 33.360 32.765 0.595 25508 7648 1 16 . 1 1 86 86 VAL H H 86 7.734 7.734 8.523 -0.789 25508 7649 1 16 . 1 1 88 88 PRO HA H 88 4.320 4.320 4.481 -0.161 25508 7650 1 16 . 1 1 88 88 PRO C C 88 176.654 176.654 175.590 1.064 25508 7651 1 16 . 1 1 88 88 PRO CA C 88 62.735 62.735 62.707 0.028 25508 7652 1 16 . 1 1 88 88 PRO CB C 88 32.007 32.007 32.278 -0.271 25508 7653 1 16 . 1 1 89 89 ALA N N 89 124.497 124.497 121.752 2.745 25508 7654 1 16 . 1 1 89 89 ALA HA H 89 4.213 4.213 4.569 -0.356 25508 7655 1 16 . 1 1 89 89 ALA C C 89 177.739 177.739 176.434 1.305 25508 7656 1 16 . 1 1 89 89 ALA CA C 89 52.564 52.564 51.550 1.014 25508 7657 1 16 . 1 1 89 89 ALA CB C 89 19.103 19.103 20.377 -1.274 25508 7658 1 16 . 1 1 89 89 ALA H H 89 8.332 8.332 8.251 0.081 25508 7659 1 16 . 1 1 90 90 GLN N N 90 119.712 119.712 118.809 0.903 25508 7660 1 16 . 1 1 90 90 GLN HA H 90 4.301 4.301 4.584 -0.283 25508 7661 1 16 . 1 1 90 90 GLN C C 90 175.302 175.302 175.511 -0.209 25508 7662 1 16 . 1 1 90 90 GLN CA C 90 55.717 55.717 55.489 0.228 25508 7663 1 16 . 1 1 90 90 GLN CB C 90 29.764 29.764 29.631 0.133 25508 7664 1 16 . 1 1 90 90 GLN H H 90 8.338 8.338 8.377 -0.039 25508 7665 1 17 . 1 1 2 2 ALA N N 2 125.581 125.581 127.403 -1.822 25508 7666 1 17 . 1 1 2 2 ALA HA H 2 4.204 4.204 4.520 -0.316 25508 7667 1 17 . 1 1 2 2 ALA C C 2 176.764 176.764 177.178 -0.414 25508 7668 1 17 . 1 1 2 2 ALA CA C 2 52.280 52.280 52.901 -0.621 25508 7669 1 17 . 1 1 2 2 ALA CB C 2 19.494 19.494 19.494 -0.000 25508 7670 1 17 . 1 1 2 2 ALA H H 2 8.203 8.203 8.763 -0.560 25508 7671 1 17 . 1 1 3 3 ARG N N 3 123.058 123.058 116.943 6.115 25508 7672 1 17 . 1 1 3 3 ARG HA H 3 4.247 4.247 4.420 -0.173 25508 7673 1 17 . 1 1 3 3 ARG C C 3 174.914 174.914 174.237 0.677 25508 7674 1 17 . 1 1 3 3 ARG CA C 3 55.678 55.678 55.370 0.308 25508 7675 1 17 . 1 1 3 3 ARG CB C 3 31.276 31.276 33.404 -2.127 25508 7676 1 17 . 1 1 3 3 ARG H H 3 8.649 8.649 7.876 0.773 25508 7677 1 17 . 1 1 4 4 MET N N 4 125.010 125.010 119.003 6.007 25508 7678 1 17 . 1 1 4 4 MET HA H 4 4.966 4.966 4.746 0.220 25508 7679 1 17 . 1 1 4 4 MET C C 4 176.144 176.144 174.732 1.412 25508 7680 1 17 . 1 1 4 4 MET CA C 4 53.311 53.311 54.878 -1.567 25508 7681 1 17 . 1 1 4 4 MET CB C 4 32.120 32.120 32.947 -0.827 25508 7682 1 17 . 1 1 4 4 MET H H 4 8.427 8.427 8.445 -0.018 25508 7683 1 17 . 1 1 5 5 ILE N N 5 117.850 117.850 117.851 -0.001 25508 7684 1 17 . 1 1 5 5 ILE HA H 5 4.623 4.623 4.595 0.028 25508 7685 1 17 . 1 1 5 5 ILE C C 5 174.207 174.207 173.615 0.592 25508 7686 1 17 . 1 1 5 5 ILE CA C 5 58.353 58.353 59.241 -0.888 25508 7687 1 17 . 1 1 5 5 ILE CB C 5 42.910 42.910 41.863 1.047 25508 7688 1 17 . 1 1 5 5 ILE H H 5 8.860 8.860 8.427 0.433 25508 7689 1 17 . 1 1 6 6 HIS N N 6 120.378 120.378 118.900 1.478 25508 7690 1 17 . 1 1 6 6 HIS HA H 6 4.301 4.301 5.053 -0.752 25508 7691 1 17 . 1 1 6 6 HIS C C 6 173.087 173.087 175.145 -2.058 25508 7692 1 17 . 1 1 6 6 HIS CA C 6 56.131 56.131 53.869 2.262 25508 7693 1 17 . 1 1 6 6 HIS CB C 6 28.508 28.508 28.384 0.124 25508 7694 1 17 . 1 1 6 6 HIS H H 6 8.506 8.506 8.069 0.437 25508 7695 1 17 . 1 1 7 7 CYS N N 7 131.021 131.021 121.894 9.127 25508 7696 1 17 . 1 1 7 7 CYS HA H 7 4.154 4.154 3.941 0.213 25508 7697 1 17 . 1 1 7 7 CYS C C 7 177.621 177.621 175.773 1.848 25508 7698 1 17 . 1 1 7 7 CYS CA C 7 61.346 61.346 58.961 2.385 25508 7699 1 17 . 1 1 7 7 CYS CB C 7 31.004 31.004 26.750 4.254 25508 7700 1 17 . 1 1 7 7 CYS H H 7 7.873 7.873 8.541 -0.668 25508 7701 1 17 . 1 1 8 8 ALA N N 8 133.325 133.325 127.888 5.437 25508 7702 1 17 . 1 1 8 8 ALA HA H 8 4.229 4.229 3.820 0.409 25508 7703 1 17 . 1 1 8 8 ALA C C 8 178.608 178.608 177.440 1.168 25508 7704 1 17 . 1 1 8 8 ALA CA C 8 54.478 54.478 53.357 1.121 25508 7705 1 17 . 1 1 8 8 ALA CB C 8 19.264 19.264 17.355 1.909 25508 7706 1 17 . 1 1 8 8 ALA H H 8 9.543 9.543 7.566 1.977 25508 7707 1 17 . 1 1 9 9 LYS N N 9 122.128 122.128 116.523 5.605 25508 7708 1 17 . 1 1 9 9 LYS CA C 9 56.353 56.353 57.535 -1.181 25508 7709 1 17 . 1 1 9 9 LYS CB C 9 33.619 33.619 32.275 1.344 25508 7710 1 17 . 1 1 9 9 LYS H H 9 9.739 9.739 7.961 1.778 25508 7711 1 17 . 1 1 10 10 LEU HA H 10 4.194 4.194 4.727 -0.533 25508 7712 1 17 . 1 1 10 10 LEU C C 10 178.870 178.870 177.686 1.184 25508 7713 1 17 . 1 1 10 10 LEU CA C 10 55.934 55.934 55.123 0.811 25508 7714 1 17 . 1 1 10 10 LEU CB C 10 42.693 42.693 44.102 -1.409 25508 7715 1 17 . 1 1 11 11 GLY N N 11 107.385 107.385 106.097 1.288 25508 7716 1 17 . 1 1 11 11 GLY C C 11 173.268 173.268 173.408 -0.140 25508 7717 1 17 . 1 1 11 11 GLY CA C 11 46.756 46.756 44.915 1.841 25508 7718 1 17 . 1 1 11 11 GLY H H 11 8.258 8.258 8.287 -0.029 25508 7719 1 17 . 1 1 12 12 LYS N N 12 112.456 112.456 118.810 -6.354 25508 7720 1 17 . 1 1 12 12 LYS HA H 12 4.547 4.547 4.589 -0.042 25508 7721 1 17 . 1 1 12 12 LYS C C 12 173.822 173.822 174.386 -0.564 25508 7722 1 17 . 1 1 12 12 LYS CA C 12 53.523 53.523 54.167 -0.644 25508 7723 1 17 . 1 1 12 12 LYS CB C 12 35.156 35.156 35.518 -0.362 25508 7724 1 17 . 1 1 12 12 LYS H H 12 6.772 6.772 7.584 -0.812 25508 7725 1 17 . 1 1 13 13 GLU N N 13 121.058 121.058 119.671 1.387 25508 7726 1 17 . 1 1 13 13 GLU HA H 13 4.874 4.874 4.604 0.270 25508 7727 1 17 . 1 1 13 13 GLU C C 13 176.290 176.290 175.527 0.763 25508 7728 1 17 . 1 1 13 13 GLU CA C 13 56.291 56.291 56.046 0.245 25508 7729 1 17 . 1 1 13 13 GLU CB C 13 29.827 29.827 30.593 -0.766 25508 7730 1 17 . 1 1 13 13 GLU H H 13 8.402 8.402 8.586 -0.184 25508 7731 1 17 . 1 1 14 14 ALA N N 14 127.978 127.978 128.118 -0.140 25508 7732 1 17 . 1 1 14 14 ALA HA H 14 4.514 4.514 4.655 -0.141 25508 7733 1 17 . 1 1 14 14 ALA C C 14 175.156 175.156 175.107 0.049 25508 7734 1 17 . 1 1 14 14 ALA CA C 14 51.437 51.437 50.534 0.903 25508 7735 1 17 . 1 1 14 14 ALA CB C 14 23.586 23.586 22.265 1.321 25508 7736 1 17 . 1 1 14 14 ALA H H 14 9.330 9.330 8.669 0.661 25508 7737 1 17 . 1 1 15 15 GLU N N 15 120.272 120.272 118.634 1.638 25508 7738 1 17 . 1 1 15 15 GLU HA H 15 4.573 4.573 4.492 0.081 25508 7739 1 17 . 1 1 15 15 GLU C C 15 178.292 178.292 176.346 1.946 25508 7740 1 17 . 1 1 15 15 GLU CA C 15 57.645 57.645 56.123 1.522 25508 7741 1 17 . 1 1 15 15 GLU CB C 15 30.016 30.016 30.640 -0.624 25508 7742 1 17 . 1 1 15 15 GLU H H 15 8.560 8.560 8.532 0.028 25508 7743 1 17 . 1 1 16 16 GLY N N 16 113.246 113.246 109.126 4.120 25508 7744 1 17 . 1 1 16 16 GLY C C 16 172.877 172.877 173.282 -0.405 25508 7745 1 17 . 1 1 16 16 GLY CA C 16 44.636 44.636 43.299 1.337 25508 7746 1 17 . 1 1 16 16 GLY H H 16 9.236 9.236 8.201 1.035 25508 7747 1 17 . 1 1 17 17 LEU N N 17 120.058 120.058 120.006 0.052 25508 7748 1 17 . 1 1 17 17 LEU HA H 17 3.960 3.960 4.072 -0.112 25508 7749 1 17 . 1 1 17 17 LEU C C 17 177.457 177.457 176.573 0.884 25508 7750 1 17 . 1 1 17 17 LEU CA C 17 55.375 55.375 56.142 -0.767 25508 7751 1 17 . 1 1 17 17 LEU CB C 17 43.355 43.355 42.674 0.681 25508 7752 1 17 . 1 1 17 17 LEU H H 17 9.482 9.482 8.040 1.442 25508 7753 1 17 . 1 1 18 18 ASP N N 18 118.600 118.600 117.183 1.417 25508 7754 1 17 . 1 1 18 18 ASP HA H 18 4.531 4.531 4.549 -0.018 25508 7755 1 17 . 1 1 18 18 ASP C C 18 175.929 175.929 174.343 1.586 25508 7756 1 17 . 1 1 18 18 ASP CA C 18 56.544 56.544 53.566 2.978 25508 7757 1 17 . 1 1 18 18 ASP CB C 18 41.655 41.655 40.932 0.723 25508 7758 1 17 . 1 1 18 18 ASP H H 18 8.848 8.848 8.217 0.631 25508 7759 1 17 . 1 1 19 19 PHE N N 19 113.195 113.195 118.669 -5.474 25508 7760 1 17 . 1 1 19 19 PHE CA C 19 55.070 55.070 55.021 0.049 25508 7761 1 17 . 1 1 19 19 PHE CB C 19 38.588 38.588 42.178 -3.590 25508 7762 1 17 . 1 1 19 19 PHE H H 19 7.108 7.108 7.284 -0.176 25508 7763 1 17 . 1 1 21 21 PRO HA H 21 4.357 4.357 4.433 -0.076 25508 7764 1 17 . 1 1 21 21 PRO C C 21 174.627 174.627 176.081 -1.454 25508 7765 1 17 . 1 1 21 21 PRO CA C 21 63.914 63.914 64.118 -0.204 25508 7766 1 17 . 1 1 21 21 PRO CB C 21 31.431 31.431 32.735 -1.304 25508 7767 1 17 . 1 1 22 22 LEU N N 22 117.643 117.643 118.476 -0.833 25508 7768 1 17 . 1 1 22 22 LEU CA C 22 51.462 51.462 51.545 -0.083 25508 7769 1 17 . 1 1 22 22 LEU CB C 22 46.011 46.011 44.879 1.132 25508 7770 1 17 . 1 1 22 22 LEU H H 22 6.788 6.788 7.538 -0.750 25508 7771 1 17 . 1 1 24 24 GLY N N 24 105.443 105.443 113.775 -8.332 25508 7772 1 17 . 1 1 24 24 GLY C C 24 175.297 175.297 174.222 1.075 25508 7773 1 17 . 1 1 24 24 GLY CA C 24 45.381 45.381 44.808 0.573 25508 7774 1 17 . 1 1 24 24 GLY H H 24 8.367 8.367 7.604 0.763 25508 7775 1 17 . 1 1 25 25 GLU N N 25 122.031 122.031 118.690 3.341 25508 7776 1 17 . 1 1 25 25 GLU HA H 25 3.887 3.887 4.142 -0.255 25508 7777 1 17 . 1 1 25 25 GLU C C 25 179.015 179.015 178.082 0.933 25508 7778 1 17 . 1 1 25 25 GLU CA C 25 59.283 59.283 58.372 0.911 25508 7779 1 17 . 1 1 25 25 GLU CB C 25 29.176 29.176 29.678 -0.502 25508 7780 1 17 . 1 1 25 25 GLU H H 25 8.737 8.737 8.754 -0.017 25508 7781 1 17 . 1 1 26 26 LEU N N 26 120.531 120.531 120.686 -0.155 25508 7782 1 17 . 1 1 26 26 LEU HA H 26 4.104 4.104 4.162 -0.058 25508 7783 1 17 . 1 1 26 26 LEU C C 26 178.836 178.836 178.328 0.508 25508 7784 1 17 . 1 1 26 26 LEU CA C 26 57.981 57.981 57.087 0.894 25508 7785 1 17 . 1 1 26 26 LEU CB C 26 40.939 40.939 41.628 -0.689 25508 7786 1 17 . 1 1 26 26 LEU H H 26 8.852 8.852 7.867 0.985 25508 7787 1 17 . 1 1 27 27 GLY N N 27 102.599 102.599 105.840 -3.241 25508 7788 1 17 . 1 1 27 27 GLY C C 27 175.874 175.874 175.844 0.030 25508 7789 1 17 . 1 1 27 27 GLY CA C 27 48.024 48.024 47.310 0.714 25508 7790 1 17 . 1 1 27 27 GLY H H 27 6.894 6.894 7.835 -0.941 25508 7791 1 17 . 1 1 28 28 LYS N N 28 122.738 122.738 120.594 2.144 25508 7792 1 17 . 1 1 28 28 LYS HA H 28 3.914 3.914 4.457 -0.543 25508 7793 1 17 . 1 1 28 28 LYS C C 28 177.965 177.965 178.373 -0.408 25508 7794 1 17 . 1 1 28 28 LYS CA C 28 59.844 59.844 59.427 0.417 25508 7795 1 17 . 1 1 28 28 LYS CB C 28 32.169 32.169 32.227 -0.059 25508 7796 1 17 . 1 1 28 28 LYS H H 28 7.449 7.449 7.566 -0.117 25508 7797 1 17 . 1 1 29 29 ARG N N 29 119.988 119.988 115.766 4.222 25508 7798 1 17 . 1 1 29 29 ARG HA H 29 3.998 3.998 4.318 -0.320 25508 7799 1 17 . 1 1 29 29 ARG CA C 29 59.876 59.876 57.141 2.735 25508 7800 1 17 . 1 1 29 29 ARG CB C 29 30.829 30.829 30.344 0.485 25508 7801 1 17 . 1 1 29 29 ARG H H 29 8.194 8.194 7.511 0.683 25508 7802 1 17 . 1 1 30 30 LEU N N 30 119.547 119.547 119.923 -0.376 25508 7803 1 17 . 1 1 30 30 LEU HA H 30 3.849 3.849 4.654 -0.805 25508 7804 1 17 . 1 1 30 30 LEU C C 30 177.351 177.351 178.808 -1.457 25508 7805 1 17 . 1 1 30 30 LEU CA C 30 58.068 58.068 57.404 0.664 25508 7806 1 17 . 1 1 30 30 LEU CB C 30 41.547 41.547 43.217 -1.670 25508 7807 1 17 . 1 1 30 30 LEU H H 30 8.333 8.333 7.856 0.477 25508 7808 1 17 . 1 1 31 31 TYR N N 31 118.033 118.033 117.520 0.513 25508 7809 1 17 . 1 1 31 31 TYR HA H 31 3.895 3.895 4.112 -0.217 25508 7810 1 17 . 1 1 31 31 TYR C C 31 178.434 178.434 176.206 2.228 25508 7811 1 17 . 1 1 31 31 TYR CA C 31 61.391 61.391 60.121 1.270 25508 7812 1 17 . 1 1 31 31 TYR CB C 31 39.083 39.083 37.889 1.194 25508 7813 1 17 . 1 1 31 31 TYR H H 31 8.106 8.106 8.453 -0.347 25508 7814 1 17 . 1 1 32 32 GLU N N 32 117.126 117.126 115.591 1.535 25508 7815 1 17 . 1 1 32 32 GLU HA H 32 3.926 3.926 3.837 0.089 25508 7816 1 17 . 1 1 32 32 GLU C C 32 178.370 178.370 176.027 2.343 25508 7817 1 17 . 1 1 32 32 GLU CA C 32 58.603 58.603 56.042 2.561 25508 7818 1 17 . 1 1 32 32 GLU CB C 32 30.580 30.580 28.985 1.595 25508 7819 1 17 . 1 1 32 32 GLU H H 32 8.260 8.260 7.812 0.448 25508 7820 1 17 . 1 1 33 33 SER N N 33 108.887 108.887 113.624 -4.737 25508 7821 1 17 . 1 1 33 33 SER HA H 33 4.910 4.910 4.388 0.522 25508 7822 1 17 . 1 1 33 33 SER C C 33 171.776 171.776 174.039 -2.263 25508 7823 1 17 . 1 1 33 33 SER CA C 33 60.399 60.399 59.354 1.045 25508 7824 1 17 . 1 1 33 33 SER CB C 33 67.057 67.057 65.640 1.417 25508 7825 1 17 . 1 1 33 33 SER H H 33 7.553 7.553 7.637 -0.084 25508 7826 1 17 . 1 1 34 34 VAL N N 34 120.097 120.097 120.934 -0.837 25508 7827 1 17 . 1 1 34 34 VAL CA C 34 61.287 61.287 61.139 0.148 25508 7828 1 17 . 1 1 34 34 VAL CB C 34 34.048 34.048 32.789 1.258 25508 7829 1 17 . 1 1 34 34 VAL H H 34 8.396 8.396 8.002 0.395 25508 7830 1 17 . 1 1 35 35 SER HA H 35 4.107 4.107 4.897 -0.790 25508 7831 1 17 . 1 1 35 35 SER C C 35 174.321 174.321 174.565 -0.244 25508 7832 1 17 . 1 1 35 35 SER CA C 35 58.771 58.771 56.838 1.933 25508 7833 1 17 . 1 1 35 35 SER CB C 35 66.899 66.899 66.043 0.855 25508 7834 1 17 . 1 1 36 36 LYS N N 36 119.115 119.115 121.812 -2.697 25508 7835 1 17 . 1 1 36 36 LYS HA H 36 4.016 4.016 4.059 -0.043 25508 7836 1 17 . 1 1 36 36 LYS C C 36 179.407 179.407 177.803 1.604 25508 7837 1 17 . 1 1 36 36 LYS CA C 36 60.728 60.728 59.167 1.561 25508 7838 1 17 . 1 1 36 36 LYS CB C 36 32.746 32.746 32.490 0.256 25508 7839 1 17 . 1 1 36 36 LYS H H 36 8.562 8.562 8.659 -0.097 25508 7840 1 17 . 1 1 37 37 GLN N N 37 118.142 118.142 117.898 0.244 25508 7841 1 17 . 1 1 37 37 GLN HA H 37 3.970 3.970 4.307 -0.337 25508 7842 1 17 . 1 1 37 37 GLN C C 37 177.580 177.580 176.928 0.652 25508 7843 1 17 . 1 1 37 37 GLN CA C 37 59.134 59.134 57.974 1.161 25508 7844 1 17 . 1 1 37 37 GLN CB C 37 28.534 28.534 28.518 0.016 25508 7845 1 17 . 1 1 37 37 GLN H H 37 8.958 8.958 8.317 0.641 25508 7846 1 17 . 1 1 38 38 ALA N N 38 121.173 121.173 121.379 -0.206 25508 7847 1 17 . 1 1 38 38 ALA HA H 38 4.409 4.409 4.281 0.128 25508 7848 1 17 . 1 1 38 38 ALA C C 38 181.081 181.081 178.778 2.303 25508 7849 1 17 . 1 1 38 38 ALA CA C 38 55.065 55.065 52.769 2.296 25508 7850 1 17 . 1 1 38 38 ALA CB C 38 19.574 19.574 18.151 1.423 25508 7851 1 17 . 1 1 38 38 ALA H H 38 8.233 8.233 7.976 0.257 25508 7852 1 17 . 1 1 39 39 TRP N N 39 121.046 121.046 120.814 0.232 25508 7853 1 17 . 1 1 39 39 TRP HA H 39 4.898 4.898 4.187 0.711 25508 7854 1 17 . 1 1 39 39 TRP C C 39 176.886 176.886 177.095 -0.209 25508 7855 1 17 . 1 1 39 39 TRP CA C 39 60.403 60.403 60.596 -0.193 25508 7856 1 17 . 1 1 39 39 TRP CB C 39 30.640 30.640 29.681 0.959 25508 7857 1 17 . 1 1 39 39 TRP H H 39 8.891 8.891 8.430 0.461 25508 7858 1 17 . 1 1 40 40 GLN N N 40 117.010 117.010 116.125 0.885 25508 7859 1 17 . 1 1 40 40 GLN HA H 40 3.715 3.715 3.789 -0.074 25508 7860 1 17 . 1 1 40 40 GLN C C 40 179.512 179.512 178.193 1.319 25508 7861 1 17 . 1 1 40 40 GLN CA C 40 59.159 59.159 58.872 0.287 25508 7862 1 17 . 1 1 40 40 GLN CB C 40 27.821 27.821 28.057 -0.236 25508 7863 1 17 . 1 1 40 40 GLN H H 40 8.541 8.541 7.879 0.662 25508 7864 1 17 . 1 1 41 41 ASP N N 41 120.036 120.036 120.131 -0.095 25508 7865 1 17 . 1 1 41 41 ASP HA H 41 4.396 4.396 4.462 -0.066 25508 7866 1 17 . 1 1 41 41 ASP C C 41 179.637 179.637 178.499 1.138 25508 7867 1 17 . 1 1 41 41 ASP CA C 41 57.571 57.571 56.995 0.576 25508 7868 1 17 . 1 1 41 41 ASP CB C 41 40.205 40.205 40.910 -0.705 25508 7869 1 17 . 1 1 41 41 ASP H H 41 8.119 8.119 8.198 -0.079 25508 7870 1 17 . 1 1 42 42 TRP N N 42 123.295 123.295 120.062 3.233 25508 7871 1 17 . 1 1 42 42 TRP HA H 42 3.992 3.992 4.415 -0.423 25508 7872 1 17 . 1 1 42 42 TRP C C 42 176.559 176.559 178.233 -1.674 25508 7873 1 17 . 1 1 42 42 TRP CA C 42 58.825 58.825 59.257 -0.431 25508 7874 1 17 . 1 1 42 42 TRP CB C 42 30.101 30.101 30.675 -0.574 25508 7875 1 17 . 1 1 42 42 TRP H H 42 8.015 8.015 8.220 -0.205 25508 7876 1 17 . 1 1 43 43 LEU N N 43 118.444 118.444 116.503 1.941 25508 7877 1 17 . 1 1 43 43 LEU HA H 43 3.073 3.073 4.001 -0.928 25508 7878 1 17 . 1 1 43 43 LEU C C 43 180.127 180.127 178.130 1.997 25508 7879 1 17 . 1 1 43 43 LEU CA C 43 57.710 57.710 57.055 0.655 25508 7880 1 17 . 1 1 43 43 LEU CB C 43 40.675 40.675 41.085 -0.410 25508 7881 1 17 . 1 1 43 43 LEU H H 43 8.027 8.027 7.621 0.406 25508 7882 1 17 . 1 1 44 44 LYS N N 44 117.577 117.577 119.410 -1.833 25508 7883 1 17 . 1 1 44 44 LYS HA H 44 3.871 3.871 3.833 0.038 25508 7884 1 17 . 1 1 44 44 LYS C C 44 179.010 179.010 178.876 0.134 25508 7885 1 17 . 1 1 44 44 LYS CA C 44 59.496 59.496 59.315 0.181 25508 7886 1 17 . 1 1 44 44 LYS CB C 44 32.301 32.301 32.104 0.197 25508 7887 1 17 . 1 1 44 44 LYS H H 44 7.065 7.065 7.776 -0.711 25508 7888 1 17 . 1 1 45 45 GLN N N 45 120.755 120.755 118.172 2.583 25508 7889 1 17 . 1 1 45 45 GLN HA H 45 3.834 3.834 3.942 -0.108 25508 7890 1 17 . 1 1 45 45 GLN C C 45 177.807 177.807 178.093 -0.286 25508 7891 1 17 . 1 1 45 45 GLN CA C 45 57.760 57.760 58.557 -0.797 25508 7892 1 17 . 1 1 45 45 GLN CB C 45 27.623 27.623 27.072 0.551 25508 7893 1 17 . 1 1 45 45 GLN H H 45 7.033 7.033 8.011 -0.978 25508 7894 1 17 . 1 1 46 46 GLN N N 46 120.768 120.768 118.855 1.913 25508 7895 1 17 . 1 1 46 46 GLN HA H 46 3.065 3.065 3.894 -0.829 25508 7896 1 17 . 1 1 46 46 GLN C C 46 177.167 177.167 178.223 -1.056 25508 7897 1 17 . 1 1 46 46 GLN CA C 46 59.136 59.136 59.186 -0.050 25508 7898 1 17 . 1 1 46 46 GLN CB C 46 28.416 28.416 28.518 -0.102 25508 7899 1 17 . 1 1 46 46 GLN H H 46 8.346 8.346 7.712 0.634 25508 7900 1 17 . 1 1 47 47 THR N N 47 114.925 114.925 115.165 -0.240 25508 7901 1 17 . 1 1 47 47 THR HA H 47 3.690 3.690 4.203 -0.513 25508 7902 1 17 . 1 1 47 47 THR C C 47 175.615 175.615 175.850 -0.235 25508 7903 1 17 . 1 1 47 47 THR CA C 47 66.804 66.804 65.390 1.414 25508 7904 1 17 . 1 1 47 47 THR CB C 47 68.895 68.895 68.628 0.267 25508 7905 1 17 . 1 1 47 47 THR H H 47 7.629 7.629 7.517 0.112 25508 7906 1 17 . 1 1 48 48 MET N N 48 120.050 120.050 121.392 -1.342 25508 7907 1 17 . 1 1 48 48 MET HA H 48 4.117 4.117 4.141 -0.024 25508 7908 1 17 . 1 1 48 48 MET C C 48 177.928 177.928 178.440 -0.512 25508 7909 1 17 . 1 1 48 48 MET CA C 48 59.041 59.041 58.449 0.592 25508 7910 1 17 . 1 1 48 48 MET CB C 48 31.985 31.985 31.871 0.114 25508 7911 1 17 . 1 1 48 48 MET H H 48 7.077 7.077 7.694 -0.617 25508 7912 1 17 . 1 1 49 49 LEU N N 49 120.156 120.156 119.029 1.127 25508 7913 1 17 . 1 1 49 49 LEU HA H 49 3.991 3.991 4.137 -0.146 25508 7914 1 17 . 1 1 49 49 LEU C C 49 180.284 180.284 179.418 0.866 25508 7915 1 17 . 1 1 49 49 LEU CA C 49 58.157 58.157 57.826 0.331 25508 7916 1 17 . 1 1 49 49 LEU CB C 49 42.723 42.723 40.862 1.861 25508 7917 1 17 . 1 1 49 49 LEU H H 49 7.982 7.982 8.390 -0.408 25508 7918 1 17 . 1 1 50 50 ILE N N 50 119.987 119.987 119.708 0.279 25508 7919 1 17 . 1 1 50 50 ILE HA H 50 3.487 3.487 3.583 -0.096 25508 7920 1 17 . 1 1 50 50 ILE C C 50 178.074 178.074 177.621 0.453 25508 7921 1 17 . 1 1 50 50 ILE CA C 50 65.734 65.734 65.410 0.324 25508 7922 1 17 . 1 1 50 50 ILE CB C 50 38.622 38.622 37.652 0.970 25508 7923 1 17 . 1 1 50 50 ILE H H 50 8.275 8.275 7.416 0.859 25508 7924 1 17 . 1 1 51 51 ASN N N 51 117.331 117.331 116.648 0.683 25508 7925 1 17 . 1 1 51 51 ASN HA H 51 4.493 4.493 4.590 -0.097 25508 7926 1 17 . 1 1 51 51 ASN C C 51 178.621 178.621 176.774 1.847 25508 7927 1 17 . 1 1 51 51 ASN CA C 51 55.787 55.787 55.448 0.339 25508 7928 1 17 . 1 1 51 51 ASN CB C 51 38.273 38.273 39.124 -0.851 25508 7929 1 17 . 1 1 51 51 ASN H H 51 7.902 7.902 8.092 -0.190 25508 7930 1 17 . 1 1 52 52 GLU N N 52 120.128 120.128 119.534 0.594 25508 7931 1 17 . 1 1 52 52 GLU HA H 52 4.006 4.006 4.208 -0.202 25508 7932 1 17 . 1 1 52 52 GLU C C 52 177.628 177.628 176.925 0.703 25508 7933 1 17 . 1 1 52 52 GLU CA C 52 59.034 59.034 57.835 1.199 25508 7934 1 17 . 1 1 52 52 GLU CB C 52 29.714 29.714 29.698 0.016 25508 7935 1 17 . 1 1 52 52 GLU H H 52 8.958 8.958 8.096 0.862 25508 7936 1 17 . 1 1 53 53 ASN N N 53 112.872 112.872 115.236 -2.364 25508 7937 1 17 . 1 1 53 53 ASN HA H 53 4.666 4.666 4.805 -0.139 25508 7938 1 17 . 1 1 53 53 ASN C C 53 173.022 173.022 174.903 -1.881 25508 7939 1 17 . 1 1 53 53 ASN CA C 53 53.416 53.416 53.243 0.173 25508 7940 1 17 . 1 1 53 53 ASN CB C 53 38.938 38.938 39.813 -0.875 25508 7941 1 17 . 1 1 53 53 ASN H H 53 7.535 7.535 8.191 -0.656 25508 7942 1 17 . 1 1 54 54 ARG N N 54 118.579 118.579 116.981 1.598 25508 7943 1 17 . 1 1 54 54 ARG HA H 54 3.975 3.975 4.036 -0.061 25508 7944 1 17 . 1 1 54 54 ARG C C 54 176.170 176.170 175.819 0.351 25508 7945 1 17 . 1 1 54 54 ARG CA C 54 56.615 56.615 56.528 0.087 25508 7946 1 17 . 1 1 54 54 ARG CB C 54 27.180 27.180 27.067 0.113 25508 7947 1 17 . 1 1 54 54 ARG H H 54 7.696 7.696 7.951 -0.255 25508 7948 1 17 . 1 1 55 55 LEU N N 55 116.705 116.705 117.195 -0.490 25508 7949 1 17 . 1 1 55 55 LEU HA H 55 4.097 4.097 4.148 -0.051 25508 7950 1 17 . 1 1 55 55 LEU C C 55 176.242 176.242 177.388 -1.146 25508 7951 1 17 . 1 1 55 55 LEU CA C 55 55.099 55.099 54.606 0.493 25508 7952 1 17 . 1 1 55 55 LEU CB C 55 42.694 42.694 42.505 0.189 25508 7953 1 17 . 1 1 55 55 LEU H H 55 7.927 7.927 7.454 0.473 25508 7954 1 17 . 1 1 56 56 ASN N N 56 120.616 120.616 117.978 2.638 25508 7955 1 17 . 1 1 56 56 ASN HA H 56 4.708 4.708 4.912 -0.204 25508 7956 1 17 . 1 1 56 56 ASN C C 56 176.058 176.058 175.935 0.123 25508 7957 1 17 . 1 1 56 56 ASN CA C 56 51.440 51.440 52.161 -0.721 25508 7958 1 17 . 1 1 56 56 ASN CB C 56 38.554 38.554 38.865 -0.311 25508 7959 1 17 . 1 1 56 56 ASN H H 56 8.530 8.530 8.516 0.014 25508 7960 1 17 . 1 1 57 57 MET N N 57 121.659 121.659 121.210 0.449 25508 7961 1 17 . 1 1 57 57 MET HA H 57 4.341 4.341 4.087 0.254 25508 7962 1 17 . 1 1 57 57 MET C C 57 176.694 176.694 176.994 -0.300 25508 7963 1 17 . 1 1 57 57 MET CA C 57 55.717 55.717 58.429 -2.712 25508 7964 1 17 . 1 1 57 57 MET CB C 57 30.266 30.266 32.679 -2.413 25508 7965 1 17 . 1 1 57 57 MET H H 57 8.628 8.628 8.542 0.086 25508 7966 1 17 . 1 1 58 58 ALA N N 58 120.515 120.515 119.577 0.938 25508 7967 1 17 . 1 1 58 58 ALA HA H 58 4.267 4.267 4.156 0.111 25508 7968 1 17 . 1 1 58 58 ALA C C 58 177.625 177.625 177.538 0.087 25508 7969 1 17 . 1 1 58 58 ALA CA C 58 52.643 52.643 53.469 -0.826 25508 7970 1 17 . 1 1 58 58 ALA CB C 58 18.667 18.667 18.738 -0.071 25508 7971 1 17 . 1 1 58 58 ALA H H 58 7.988 7.988 7.959 0.029 25508 7972 1 17 . 1 1 59 59 ASP N N 59 121.926 121.926 113.999 7.927 25508 7973 1 17 . 1 1 59 59 ASP CA C 59 50.871 50.871 51.052 -0.181 25508 7974 1 17 . 1 1 59 59 ASP CB C 59 42.450 42.450 41.240 1.210 25508 7975 1 17 . 1 1 59 59 ASP H H 59 8.024 8.024 7.775 0.249 25508 7976 1 17 . 1 1 60 60 PRO HA H 60 4.186 4.186 4.358 -0.172 25508 7977 1 17 . 1 1 60 60 PRO C C 60 179.232 179.232 177.716 1.516 25508 7978 1 17 . 1 1 60 60 PRO CA C 60 65.347 65.347 64.169 1.178 25508 7979 1 17 . 1 1 60 60 PRO CB C 60 32.399 32.399 32.221 0.178 25508 7980 1 17 . 1 1 61 61 ARG N N 61 117.390 117.390 118.656 -1.266 25508 7981 1 17 . 1 1 61 61 ARG HA H 61 4.107 4.107 4.120 -0.013 25508 7982 1 17 . 1 1 61 61 ARG C C 61 179.817 179.817 178.107 1.710 25508 7983 1 17 . 1 1 61 61 ARG CA C 61 59.098 59.098 58.717 0.381 25508 7984 1 17 . 1 1 61 61 ARG CB C 61 29.670 29.670 28.728 0.942 25508 7985 1 17 . 1 1 61 61 ARG H H 61 8.597 8.597 8.535 0.062 25508 7986 1 17 . 1 1 62 62 ALA N N 62 124.172 124.172 120.451 3.721 25508 7987 1 17 . 1 1 62 62 ALA HA H 62 4.201 4.201 4.290 -0.089 25508 7988 1 17 . 1 1 62 62 ALA C C 62 179.726 179.726 179.571 0.155 25508 7989 1 17 . 1 1 62 62 ALA CA C 62 55.011 55.011 54.426 0.585 25508 7990 1 17 . 1 1 62 62 ALA CB C 62 19.251 19.251 18.634 0.618 25508 7991 1 17 . 1 1 62 62 ALA H H 62 7.597 7.597 7.616 -0.019 25508 7992 1 17 . 1 1 63 63 ARG N N 63 116.483 116.483 116.768 -0.285 25508 7993 1 17 . 1 1 63 63 ARG HA H 63 3.985 3.985 4.172 -0.187 25508 7994 1 17 . 1 1 63 63 ARG C C 63 179.234 179.234 178.544 0.690 25508 7995 1 17 . 1 1 63 63 ARG CA C 63 60.029 60.029 58.847 1.182 25508 7996 1 17 . 1 1 63 63 ARG CB C 63 29.806 29.806 30.074 -0.268 25508 7997 1 17 . 1 1 63 63 ARG H H 63 7.640 7.640 8.235 -0.595 25508 7998 1 17 . 1 1 64 64 GLN N N 64 119.143 119.143 118.564 0.579 25508 7999 1 17 . 1 1 64 64 GLN HA H 64 4.095 4.095 4.180 -0.085 25508 8000 1 17 . 1 1 64 64 GLN C C 64 178.261 178.261 176.764 1.497 25508 8001 1 17 . 1 1 64 64 GLN CA C 64 59.183 59.183 57.258 1.925 25508 8002 1 17 . 1 1 64 64 GLN CB C 64 28.266 28.266 28.630 -0.364 25508 8003 1 17 . 1 1 64 64 GLN H H 64 8.114 8.114 8.263 -0.149 25508 8004 1 17 . 1 1 65 65 TYR N N 65 121.413 121.413 118.244 3.169 25508 8005 1 17 . 1 1 65 65 TYR HA H 65 4.321 4.321 4.494 -0.173 25508 8006 1 17 . 1 1 65 65 TYR C C 65 180.478 180.478 175.977 4.501 25508 8007 1 17 . 1 1 65 65 TYR CA C 65 61.407 61.407 59.431 1.976 25508 8008 1 17 . 1 1 65 65 TYR CB C 65 37.831 37.831 38.951 -1.120 25508 8009 1 17 . 1 1 65 65 TYR H H 65 7.929 7.929 7.497 0.432 25508 8010 1 17 . 1 1 66 66 LEU N N 66 119.499 119.499 115.877 3.622 25508 8011 1 17 . 1 1 66 66 LEU HA H 66 3.870 3.870 4.010 -0.140 25508 8012 1 17 . 1 1 66 66 LEU C C 66 180.847 180.847 178.627 2.220 25508 8013 1 17 . 1 1 66 66 LEU CA C 66 57.959 57.959 55.986 1.973 25508 8014 1 17 . 1 1 66 66 LEU CB C 66 41.522 41.522 41.675 -0.153 25508 8015 1 17 . 1 1 66 66 LEU H H 66 8.328 8.328 7.600 0.728 25508 8016 1 17 . 1 1 67 67 MET N N 67 122.316 122.316 119.470 2.846 25508 8017 1 17 . 1 1 67 67 MET HA H 67 4.100 4.100 4.050 0.050 25508 8018 1 17 . 1 1 67 67 MET C C 67 178.402 178.402 177.699 0.703 25508 8019 1 17 . 1 1 67 67 MET CA C 67 59.693 59.693 59.030 0.663 25508 8020 1 17 . 1 1 67 67 MET CB C 67 32.202 32.202 32.232 -0.030 25508 8021 1 17 . 1 1 67 67 MET H H 67 8.480 8.480 7.569 0.911 25508 8022 1 17 . 1 1 68 68 LYS N N 68 120.460 120.460 116.327 4.133 25508 8023 1 17 . 1 1 68 68 LYS HA H 68 4.160 4.160 4.116 0.044 25508 8024 1 17 . 1 1 68 68 LYS C C 68 179.963 179.963 179.007 0.956 25508 8025 1 17 . 1 1 68 68 LYS CA C 68 58.857 58.857 58.684 0.173 25508 8026 1 17 . 1 1 68 68 LYS CB C 68 31.276 31.276 31.576 -0.300 25508 8027 1 17 . 1 1 68 68 LYS H H 68 8.024 8.024 8.207 -0.183 25508 8028 1 17 . 1 1 69 69 GLN N N 69 117.834 117.834 117.192 0.642 25508 8029 1 17 . 1 1 69 69 GLN HA H 69 3.858 3.858 4.131 -0.273 25508 8030 1 17 . 1 1 69 69 GLN C C 69 178.013 178.013 175.990 2.023 25508 8031 1 17 . 1 1 69 69 GLN CA C 69 58.097 58.097 57.819 0.278 25508 8032 1 17 . 1 1 69 69 GLN CB C 69 27.601 27.601 28.724 -1.123 25508 8033 1 17 . 1 1 69 69 GLN H H 69 8.281 8.281 7.756 0.525 25508 8034 1 17 . 1 1 70 70 THR N N 70 119.066 119.066 113.022 6.044 25508 8035 1 17 . 1 1 70 70 THR HA H 70 2.666 2.666 3.686 -1.020 25508 8036 1 17 . 1 1 70 70 THR C C 70 175.189 175.189 175.662 -0.473 25508 8037 1 17 . 1 1 70 70 THR CA C 70 66.732 66.732 65.339 1.393 25508 8038 1 17 . 1 1 70 70 THR CB C 70 68.451 68.451 68.863 -0.412 25508 8039 1 17 . 1 1 70 70 THR H H 70 8.245 8.245 7.124 1.121 25508 8040 1 17 . 1 1 71 71 GLU N N 71 121.112 121.112 122.150 -1.038 25508 8041 1 17 . 1 1 71 71 GLU HA H 71 3.873 3.873 4.219 -0.346 25508 8042 1 17 . 1 1 71 71 GLU C C 71 177.903 177.903 178.108 -0.205 25508 8043 1 17 . 1 1 71 71 GLU CA C 71 60.325 60.325 59.613 0.712 25508 8044 1 17 . 1 1 71 71 GLU CB C 71 30.065 30.065 29.898 0.167 25508 8045 1 17 . 1 1 71 71 GLU H H 71 7.872 7.872 8.014 -0.142 25508 8046 1 17 . 1 1 72 72 LYS N N 72 118.112 118.112 118.482 -0.370 25508 8047 1 17 . 1 1 72 72 LYS HA H 72 3.853 3.853 4.291 -0.438 25508 8048 1 17 . 1 1 72 72 LYS C C 72 178.447 178.447 179.409 -0.962 25508 8049 1 17 . 1 1 72 72 LYS CA C 72 59.199 59.199 59.154 0.045 25508 8050 1 17 . 1 1 72 72 LYS CB C 72 32.705 32.705 32.261 0.444 25508 8051 1 17 . 1 1 72 72 LYS H H 72 7.932 7.932 7.702 0.230 25508 8052 1 17 . 1 1 73 73 TYR N N 73 119.703 119.703 119.594 0.109 25508 8053 1 17 . 1 1 73 73 TYR HA H 73 3.704 3.704 4.174 -0.470 25508 8054 1 17 . 1 1 73 73 TYR C C 73 176.953 176.953 177.223 -0.270 25508 8055 1 17 . 1 1 73 73 TYR CA C 73 61.540 61.540 61.183 0.357 25508 8056 1 17 . 1 1 73 73 TYR CB C 73 38.266 38.266 38.206 0.060 25508 8057 1 17 . 1 1 73 73 TYR H H 73 7.800 7.800 7.898 -0.098 25508 8058 1 17 . 1 1 74 74 PHE N N 74 111.749 111.749 117.257 -5.508 25508 8059 1 17 . 1 1 74 74 PHE HA H 74 3.886 3.886 4.255 -0.369 25508 8060 1 17 . 1 1 74 74 PHE C C 74 176.300 176.300 177.227 -0.927 25508 8061 1 17 . 1 1 74 74 PHE CA C 74 61.784 61.784 59.584 2.200 25508 8062 1 17 . 1 1 74 74 PHE CB C 74 39.690 39.690 40.267 -0.577 25508 8063 1 17 . 1 1 74 74 PHE H H 74 7.139 7.139 7.587 -0.448 25508 8064 1 17 . 1 1 75 75 PHE N N 75 114.845 114.845 116.819 -1.974 25508 8065 1 17 . 1 1 75 75 PHE HA H 75 5.009 5.009 4.423 0.586 25508 8066 1 17 . 1 1 75 75 PHE C C 75 176.448 176.448 176.818 -0.370 25508 8067 1 17 . 1 1 75 75 PHE CA C 75 56.575 56.575 58.109 -1.534 25508 8068 1 17 . 1 1 75 75 PHE CB C 75 40.353 40.353 38.782 1.571 25508 8069 1 17 . 1 1 75 75 PHE H H 75 8.275 8.275 7.478 0.797 25508 8070 1 17 . 1 1 76 76 GLY N N 76 109.977 109.977 107.684 2.293 25508 8071 1 17 . 1 1 76 76 GLY C C 76 173.602 173.602 174.663 -1.061 25508 8072 1 17 . 1 1 76 76 GLY CA C 76 45.375 45.375 45.556 -0.180 25508 8073 1 17 . 1 1 76 76 GLY H H 76 7.836 7.836 7.667 0.169 25508 8074 1 17 . 1 1 77 77 GLU N N 77 120.068 120.068 115.512 4.556 25508 8075 1 17 . 1 1 77 77 GLU HA H 77 4.259 4.259 4.159 0.100 25508 8076 1 17 . 1 1 77 77 GLU C C 77 176.925 176.925 177.830 -0.905 25508 8077 1 17 . 1 1 77 77 GLU CA C 77 56.647 56.647 57.472 -0.825 25508 8078 1 17 . 1 1 77 77 GLU CB C 77 30.694 30.694 29.565 1.129 25508 8079 1 17 . 1 1 77 77 GLU H H 77 8.445 8.445 8.149 0.296 25508 8080 1 17 . 1 1 78 78 GLY N N 78 110.135 110.135 107.039 3.096 25508 8081 1 17 . 1 1 78 78 GLY C C 78 174.241 174.241 173.192 1.049 25508 8082 1 17 . 1 1 78 78 GLY CA C 78 45.368 45.368 44.486 0.882 25508 8083 1 17 . 1 1 78 78 GLY H H 78 8.457 8.457 8.227 0.230 25508 8084 1 17 . 1 1 79 79 ALA N N 79 123.773 123.773 122.808 0.965 25508 8085 1 17 . 1 1 79 79 ALA HA H 79 4.208 4.208 4.640 -0.432 25508 8086 1 17 . 1 1 79 79 ALA C C 79 177.657 177.657 175.850 1.807 25508 8087 1 17 . 1 1 79 79 ALA CA C 79 52.782 52.782 50.729 2.053 25508 8088 1 17 . 1 1 79 79 ALA CB C 79 19.145 19.145 20.808 -1.663 25508 8089 1 17 . 1 1 79 79 ALA H H 79 8.195 8.195 7.841 0.354 25508 8090 1 17 . 1 1 80 80 ASP N N 80 118.833 118.833 121.963 -3.130 25508 8091 1 17 . 1 1 80 80 ASP HA H 80 4.473 4.473 4.570 -0.097 25508 8092 1 17 . 1 1 80 80 ASP C C 80 176.374 176.374 175.707 0.667 25508 8093 1 17 . 1 1 80 80 ASP CA C 80 54.383 54.383 55.543 -1.160 25508 8094 1 17 . 1 1 80 80 ASP CB C 80 40.940 40.940 39.948 0.992 25508 8095 1 17 . 1 1 80 80 ASP H H 80 8.347 8.347 8.328 0.019 25508 8096 1 17 . 1 1 81 81 GLN N N 81 120.376 120.376 121.774 -1.398 25508 8097 1 17 . 1 1 81 81 GLN HA H 81 4.225 4.225 4.747 -0.522 25508 8098 1 17 . 1 1 81 81 GLN C C 81 176.029 176.029 174.889 1.140 25508 8099 1 17 . 1 1 81 81 GLN CA C 81 55.969 55.969 54.769 1.200 25508 8100 1 17 . 1 1 81 81 GLN CB C 81 29.242 29.242 30.475 -1.233 25508 8101 1 17 . 1 1 81 81 GLN H H 81 8.188 8.188 8.373 -0.185 25508 8102 1 17 . 1 1 82 82 ALA N N 82 124.734 124.734 122.652 2.082 25508 8103 1 17 . 1 1 82 82 ALA HA H 82 4.271 4.271 4.706 -0.435 25508 8104 1 17 . 1 1 82 82 ALA C C 82 178.011 178.011 176.181 1.830 25508 8105 1 17 . 1 1 82 82 ALA CA C 82 52.680 52.680 52.167 0.513 25508 8106 1 17 . 1 1 82 82 ALA CB C 82 19.023 19.023 19.338 -0.315 25508 8107 1 17 . 1 1 82 82 ALA H H 82 8.307 8.307 8.652 -0.345 25508 8108 1 17 . 1 1 83 83 SER N N 83 114.999 114.999 114.671 0.328 25508 8109 1 17 . 1 1 83 83 SER HA H 83 4.368 4.368 4.600 -0.232 25508 8110 1 17 . 1 1 83 83 SER C C 83 175.141 175.141 173.678 1.463 25508 8111 1 17 . 1 1 83 83 SER CA C 83 58.843 58.843 58.297 0.546 25508 8112 1 17 . 1 1 83 83 SER CB C 83 63.849 63.849 64.566 -0.717 25508 8113 1 17 . 1 1 83 83 SER H H 83 8.269 8.269 7.938 0.331 25508 8114 1 17 . 1 1 84 84 GLY N N 84 110.722 110.722 113.323 -2.601 25508 8115 1 17 . 1 1 84 84 GLY C C 84 173.457 173.457 172.900 0.557 25508 8116 1 17 . 1 1 84 84 GLY CA C 84 45.168 45.168 45.599 -0.430 25508 8117 1 17 . 1 1 84 84 GLY H H 84 8.324 8.324 8.539 -0.215 25508 8118 1 17 . 1 1 85 85 TYR N N 85 121.054 121.054 123.539 -2.485 25508 8119 1 17 . 1 1 85 85 TYR HA H 85 4.395 4.395 4.745 -0.350 25508 8120 1 17 . 1 1 85 85 TYR C C 85 174.866 174.866 175.507 -0.641 25508 8121 1 17 . 1 1 85 85 TYR CA C 85 58.433 58.433 56.885 1.548 25508 8122 1 17 . 1 1 85 85 TYR CB C 85 38.856 38.856 40.888 -2.032 25508 8123 1 17 . 1 1 85 85 TYR H H 85 7.982 7.982 8.066 -0.084 25508 8124 1 17 . 1 1 86 86 VAL N N 86 127.973 127.973 118.810 9.163 25508 8125 1 17 . 1 1 86 86 VAL CA C 86 58.815 58.815 62.058 -3.243 25508 8126 1 17 . 1 1 86 86 VAL CB C 86 33.360 33.360 29.814 3.546 25508 8127 1 17 . 1 1 86 86 VAL H H 86 7.734 7.734 8.569 -0.835 25508 8128 1 17 . 1 1 88 88 PRO HA H 88 4.320 4.320 4.499 -0.179 25508 8129 1 17 . 1 1 88 88 PRO C C 88 176.654 176.654 175.488 1.166 25508 8130 1 17 . 1 1 88 88 PRO CA C 88 62.735 62.735 62.754 -0.019 25508 8131 1 17 . 1 1 88 88 PRO CB C 88 32.007 32.007 32.219 -0.212 25508 8132 1 17 . 1 1 89 89 ALA N N 89 124.497 124.497 120.981 3.516 25508 8133 1 17 . 1 1 89 89 ALA HA H 89 4.213 4.213 4.633 -0.420 25508 8134 1 17 . 1 1 89 89 ALA C C 89 177.739 177.739 177.867 -0.128 25508 8135 1 17 . 1 1 89 89 ALA CA C 89 52.564 52.564 51.821 0.743 25508 8136 1 17 . 1 1 89 89 ALA CB C 89 19.103 19.103 21.155 -2.052 25508 8137 1 17 . 1 1 89 89 ALA H H 89 8.332 8.332 8.480 -0.148 25508 8138 1 17 . 1 1 90 90 GLN N N 90 119.712 119.712 121.077 -1.365 25508 8139 1 17 . 1 1 90 90 GLN HA H 90 4.301 4.301 4.493 -0.192 25508 8140 1 17 . 1 1 90 90 GLN C C 90 175.302 175.302 176.842 -1.540 25508 8141 1 17 . 1 1 90 90 GLN CA C 90 55.717 55.717 57.553 -1.836 25508 8142 1 17 . 1 1 90 90 GLN CB C 90 29.764 29.764 28.470 1.294 25508 8143 1 17 . 1 1 90 90 GLN H H 90 8.338 8.338 8.879 -0.541 25508 8144 1 18 . 1 1 2 2 ALA N N 2 125.581 125.581 124.548 1.033 25508 8145 1 18 . 1 1 2 2 ALA HA H 2 4.204 4.204 4.328 -0.124 25508 8146 1 18 . 1 1 2 2 ALA C C 2 176.764 176.764 177.137 -0.373 25508 8147 1 18 . 1 1 2 2 ALA CA C 2 52.280 52.280 53.146 -0.866 25508 8148 1 18 . 1 1 2 2 ALA CB C 2 19.494 19.494 19.912 -0.418 25508 8149 1 18 . 1 1 2 2 ALA H H 2 8.203 8.203 8.393 -0.190 25508 8150 1 18 . 1 1 3 3 ARG N N 3 123.058 123.058 114.028 9.030 25508 8151 1 18 . 1 1 3 3 ARG HA H 3 4.247 4.247 4.490 -0.243 25508 8152 1 18 . 1 1 3 3 ARG C C 3 174.914 174.914 173.897 1.017 25508 8153 1 18 . 1 1 3 3 ARG CA C 3 55.678 55.678 55.827 -0.148 25508 8154 1 18 . 1 1 3 3 ARG CB C 3 31.276 31.276 33.679 -2.403 25508 8155 1 18 . 1 1 3 3 ARG H H 3 8.649 8.649 8.011 0.638 25508 8156 1 18 . 1 1 4 4 MET N N 4 125.010 125.010 118.447 6.563 25508 8157 1 18 . 1 1 4 4 MET HA H 4 4.966 4.966 4.910 0.056 25508 8158 1 18 . 1 1 4 4 MET C C 4 176.144 176.144 174.800 1.344 25508 8159 1 18 . 1 1 4 4 MET CA C 4 53.311 53.311 54.816 -1.505 25508 8160 1 18 . 1 1 4 4 MET CB C 4 32.120 32.120 34.090 -1.970 25508 8161 1 18 . 1 1 4 4 MET H H 4 8.427 8.427 8.355 0.072 25508 8162 1 18 . 1 1 5 5 ILE N N 5 117.850 117.850 117.456 0.394 25508 8163 1 18 . 1 1 5 5 ILE HA H 5 4.623 4.623 4.638 -0.015 25508 8164 1 18 . 1 1 5 5 ILE C C 5 174.207 174.207 173.836 0.371 25508 8165 1 18 . 1 1 5 5 ILE CA C 5 58.353 58.353 58.792 -0.439 25508 8166 1 18 . 1 1 5 5 ILE CB C 5 42.910 42.910 42.066 0.844 25508 8167 1 18 . 1 1 5 5 ILE H H 5 8.860 8.860 8.510 0.350 25508 8168 1 18 . 1 1 6 6 HIS N N 6 120.378 120.378 119.020 1.358 25508 8169 1 18 . 1 1 6 6 HIS HA H 6 4.301 4.301 5.083 -0.782 25508 8170 1 18 . 1 1 6 6 HIS C C 6 173.087 173.087 175.278 -2.191 25508 8171 1 18 . 1 1 6 6 HIS CA C 6 56.131 56.131 53.933 2.198 25508 8172 1 18 . 1 1 6 6 HIS CB C 6 28.508 28.508 28.196 0.312 25508 8173 1 18 . 1 1 6 6 HIS H H 6 8.506 8.506 8.169 0.337 25508 8174 1 18 . 1 1 7 7 CYS N N 7 131.021 131.021 121.516 9.505 25508 8175 1 18 . 1 1 7 7 CYS HA H 7 4.154 4.154 4.062 0.092 25508 8176 1 18 . 1 1 7 7 CYS C C 7 177.621 177.621 175.833 1.788 25508 8177 1 18 . 1 1 7 7 CYS CA C 7 61.346 61.346 58.833 2.513 25508 8178 1 18 . 1 1 7 7 CYS CB C 7 31.004 31.004 27.020 3.984 25508 8179 1 18 . 1 1 7 7 CYS H H 7 7.873 7.873 7.946 -0.073 25508 8180 1 18 . 1 1 8 8 ALA N N 8 133.325 133.325 128.089 5.236 25508 8181 1 18 . 1 1 8 8 ALA HA H 8 4.229 4.229 3.824 0.405 25508 8182 1 18 . 1 1 8 8 ALA C C 8 178.608 178.608 177.638 0.970 25508 8183 1 18 . 1 1 8 8 ALA CA C 8 54.478 54.478 53.450 1.028 25508 8184 1 18 . 1 1 8 8 ALA CB C 8 19.264 19.264 17.973 1.292 25508 8185 1 18 . 1 1 8 8 ALA H H 8 9.543 9.543 7.803 1.740 25508 8186 1 18 . 1 1 9 9 LYS N N 9 122.128 122.128 115.633 6.495 25508 8187 1 18 . 1 1 9 9 LYS CA C 9 56.353 56.353 57.581 -1.228 25508 8188 1 18 . 1 1 9 9 LYS CB C 9 33.619 33.619 32.160 1.460 25508 8189 1 18 . 1 1 9 9 LYS H H 9 9.739 9.739 8.141 1.598 25508 8190 1 18 . 1 1 10 10 LEU HA H 10 4.194 4.194 4.553 -0.359 25508 8191 1 18 . 1 1 10 10 LEU C C 10 178.870 178.870 177.601 1.269 25508 8192 1 18 . 1 1 10 10 LEU CA C 10 55.934 55.934 54.849 1.085 25508 8193 1 18 . 1 1 10 10 LEU CB C 10 42.693 42.693 43.980 -1.287 25508 8194 1 18 . 1 1 11 11 GLY N N 11 107.385 107.385 105.585 1.800 25508 8195 1 18 . 1 1 11 11 GLY C C 11 173.268 173.268 173.679 -0.411 25508 8196 1 18 . 1 1 11 11 GLY CA C 11 46.756 46.756 44.933 1.823 25508 8197 1 18 . 1 1 11 11 GLY H H 11 8.258 8.258 8.326 -0.068 25508 8198 1 18 . 1 1 12 12 LYS N N 12 112.456 112.456 119.123 -6.667 25508 8199 1 18 . 1 1 12 12 LYS HA H 12 4.547 4.547 4.713 -0.166 25508 8200 1 18 . 1 1 12 12 LYS C C 12 173.822 173.822 174.755 -0.933 25508 8201 1 18 . 1 1 12 12 LYS CA C 12 53.523 53.523 53.715 -0.192 25508 8202 1 18 . 1 1 12 12 LYS CB C 12 35.156 35.156 34.523 0.633 25508 8203 1 18 . 1 1 12 12 LYS H H 12 6.772 6.772 7.630 -0.858 25508 8204 1 18 . 1 1 13 13 GLU N N 13 121.058 121.058 119.781 1.277 25508 8205 1 18 . 1 1 13 13 GLU HA H 13 4.874 4.874 4.677 0.197 25508 8206 1 18 . 1 1 13 13 GLU C C 13 176.290 176.290 175.557 0.733 25508 8207 1 18 . 1 1 13 13 GLU CA C 13 56.291 56.291 55.818 0.473 25508 8208 1 18 . 1 1 13 13 GLU CB C 13 29.827 29.827 30.439 -0.612 25508 8209 1 18 . 1 1 13 13 GLU H H 13 8.402 8.402 8.554 -0.152 25508 8210 1 18 . 1 1 14 14 ALA N N 14 127.978 127.978 128.860 -0.882 25508 8211 1 18 . 1 1 14 14 ALA HA H 14 4.514 4.514 4.841 -0.327 25508 8212 1 18 . 1 1 14 14 ALA C C 14 175.156 175.156 176.071 -0.915 25508 8213 1 18 . 1 1 14 14 ALA CA C 14 51.437 51.437 50.535 0.902 25508 8214 1 18 . 1 1 14 14 ALA CB C 14 23.586 23.586 22.358 1.228 25508 8215 1 18 . 1 1 14 14 ALA H H 14 9.330 9.330 8.988 0.342 25508 8216 1 18 . 1 1 15 15 GLU N N 15 120.272 120.272 118.616 1.656 25508 8217 1 18 . 1 1 15 15 GLU HA H 15 4.573 4.573 4.636 -0.063 25508 8218 1 18 . 1 1 15 15 GLU C C 15 178.292 178.292 177.180 1.112 25508 8219 1 18 . 1 1 15 15 GLU CA C 15 57.645 57.645 55.104 2.541 25508 8220 1 18 . 1 1 15 15 GLU CB C 15 30.016 30.016 31.263 -1.247 25508 8221 1 18 . 1 1 15 15 GLU H H 15 8.560 8.560 8.756 -0.196 25508 8222 1 18 . 1 1 16 16 GLY N N 16 113.246 113.246 106.791 6.455 25508 8223 1 18 . 1 1 16 16 GLY C C 16 172.877 172.877 174.090 -1.213 25508 8224 1 18 . 1 1 16 16 GLY CA C 16 44.636 44.636 43.541 1.095 25508 8225 1 18 . 1 1 16 16 GLY H H 16 9.236 9.236 8.210 1.026 25508 8226 1 18 . 1 1 17 17 LEU N N 17 120.058 120.058 123.678 -3.620 25508 8227 1 18 . 1 1 17 17 LEU HA H 17 3.960 3.960 4.000 -0.040 25508 8228 1 18 . 1 1 17 17 LEU C C 17 177.457 177.457 177.608 -0.151 25508 8229 1 18 . 1 1 17 17 LEU CA C 17 55.375 55.375 56.896 -1.521 25508 8230 1 18 . 1 1 17 17 LEU CB C 17 43.355 43.355 42.291 1.064 25508 8231 1 18 . 1 1 17 17 LEU H H 17 9.482 9.482 8.497 0.985 25508 8232 1 18 . 1 1 18 18 ASP N N 18 118.600 118.600 117.516 1.084 25508 8233 1 18 . 1 1 18 18 ASP HA H 18 4.531 4.531 4.334 0.197 25508 8234 1 18 . 1 1 18 18 ASP C C 18 175.929 175.929 174.462 1.467 25508 8235 1 18 . 1 1 18 18 ASP CA C 18 56.544 56.544 55.807 0.737 25508 8236 1 18 . 1 1 18 18 ASP CB C 18 41.655 41.655 39.896 1.759 25508 8237 1 18 . 1 1 18 18 ASP H H 18 8.848 8.848 8.268 0.580 25508 8238 1 18 . 1 1 19 19 PHE N N 19 113.195 113.195 117.343 -4.148 25508 8239 1 18 . 1 1 19 19 PHE CA C 19 55.070 55.070 53.971 1.099 25508 8240 1 18 . 1 1 19 19 PHE CB C 19 38.588 38.588 40.516 -1.928 25508 8241 1 18 . 1 1 19 19 PHE H H 19 7.108 7.108 7.759 -0.651 25508 8242 1 18 . 1 1 21 21 PRO HA H 21 4.357 4.357 4.492 -0.135 25508 8243 1 18 . 1 1 21 21 PRO C C 21 174.627 174.627 176.310 -1.683 25508 8244 1 18 . 1 1 21 21 PRO CA C 21 63.914 63.914 64.146 -0.232 25508 8245 1 18 . 1 1 21 21 PRO CB C 21 31.431 31.431 32.092 -0.661 25508 8246 1 18 . 1 1 22 22 LEU N N 22 117.643 117.643 119.621 -1.978 25508 8247 1 18 . 1 1 22 22 LEU CA C 22 51.462 51.462 51.320 0.142 25508 8248 1 18 . 1 1 22 22 LEU CB C 22 46.011 46.011 43.263 2.748 25508 8249 1 18 . 1 1 22 22 LEU H H 22 6.788 6.788 7.354 -0.566 25508 8250 1 18 . 1 1 24 24 GLY N N 24 105.443 105.443 106.533 -1.090 25508 8251 1 18 . 1 1 24 24 GLY C C 24 175.297 175.297 174.648 0.649 25508 8252 1 18 . 1 1 24 24 GLY CA C 24 45.381 45.381 44.801 0.580 25508 8253 1 18 . 1 1 24 24 GLY H H 24 8.367 8.367 7.996 0.371 25508 8254 1 18 . 1 1 25 25 GLU N N 25 122.031 122.031 116.767 5.264 25508 8255 1 18 . 1 1 25 25 GLU HA H 25 3.887 3.887 4.331 -0.444 25508 8256 1 18 . 1 1 25 25 GLU C C 25 179.015 179.015 177.068 1.947 25508 8257 1 18 . 1 1 25 25 GLU CA C 25 59.283 59.283 57.198 2.085 25508 8258 1 18 . 1 1 25 25 GLU CB C 25 29.176 29.176 29.938 -0.762 25508 8259 1 18 . 1 1 25 25 GLU H H 25 8.737 8.737 8.101 0.636 25508 8260 1 18 . 1 1 26 26 LEU N N 26 120.531 120.531 120.144 0.387 25508 8261 1 18 . 1 1 26 26 LEU HA H 26 4.104 4.104 4.398 -0.294 25508 8262 1 18 . 1 1 26 26 LEU C C 26 178.836 178.836 178.958 -0.122 25508 8263 1 18 . 1 1 26 26 LEU CA C 26 57.981 57.981 57.362 0.619 25508 8264 1 18 . 1 1 26 26 LEU CB C 26 40.939 40.939 41.775 -0.836 25508 8265 1 18 . 1 1 26 26 LEU H H 26 8.852 8.852 8.083 0.769 25508 8266 1 18 . 1 1 27 27 GLY N N 27 102.599 102.599 107.728 -5.129 25508 8267 1 18 . 1 1 27 27 GLY C C 27 175.874 175.874 175.616 0.258 25508 8268 1 18 . 1 1 27 27 GLY CA C 27 48.024 48.024 47.473 0.551 25508 8269 1 18 . 1 1 27 27 GLY H H 27 6.894 6.894 8.460 -1.566 25508 8270 1 18 . 1 1 28 28 LYS N N 28 122.738 122.738 119.919 2.819 25508 8271 1 18 . 1 1 28 28 LYS HA H 28 3.914 3.914 4.448 -0.534 25508 8272 1 18 . 1 1 28 28 LYS C C 28 177.965 177.965 178.074 -0.109 25508 8273 1 18 . 1 1 28 28 LYS CA C 28 59.844 59.844 58.553 1.290 25508 8274 1 18 . 1 1 28 28 LYS CB C 28 32.169 32.169 32.225 -0.056 25508 8275 1 18 . 1 1 28 28 LYS H H 28 7.449 7.449 8.485 -1.036 25508 8276 1 18 . 1 1 29 29 ARG N N 29 119.988 119.988 115.915 4.073 25508 8277 1 18 . 1 1 29 29 ARG HA H 29 3.998 3.998 4.273 -0.275 25508 8278 1 18 . 1 1 29 29 ARG CA C 29 59.876 59.876 57.104 2.772 25508 8279 1 18 . 1 1 29 29 ARG CB C 29 30.829 30.829 30.531 0.298 25508 8280 1 18 . 1 1 29 29 ARG H H 29 8.194 8.194 8.132 0.062 25508 8281 1 18 . 1 1 30 30 LEU N N 30 119.547 119.547 120.676 -1.129 25508 8282 1 18 . 1 1 30 30 LEU HA H 30 3.849 3.849 4.202 -0.353 25508 8283 1 18 . 1 1 30 30 LEU C C 30 177.351 177.351 178.490 -1.139 25508 8284 1 18 . 1 1 30 30 LEU CA C 30 58.068 58.068 57.846 0.222 25508 8285 1 18 . 1 1 30 30 LEU CB C 30 41.547 41.547 42.261 -0.714 25508 8286 1 18 . 1 1 30 30 LEU H H 30 8.333 8.333 8.057 0.276 25508 8287 1 18 . 1 1 31 31 TYR N N 31 118.033 118.033 117.783 0.250 25508 8288 1 18 . 1 1 31 31 TYR HA H 31 3.895 3.895 4.107 -0.212 25508 8289 1 18 . 1 1 31 31 TYR C C 31 178.434 178.434 176.273 2.161 25508 8290 1 18 . 1 1 31 31 TYR CA C 31 61.391 61.391 60.678 0.713 25508 8291 1 18 . 1 1 31 31 TYR CB C 31 39.083 39.083 37.776 1.307 25508 8292 1 18 . 1 1 31 31 TYR H H 31 8.106 8.106 8.548 -0.442 25508 8293 1 18 . 1 1 32 32 GLU N N 32 117.126 117.126 115.267 1.859 25508 8294 1 18 . 1 1 32 32 GLU HA H 32 3.926 3.926 3.820 0.106 25508 8295 1 18 . 1 1 32 32 GLU C C 32 178.370 178.370 176.215 2.155 25508 8296 1 18 . 1 1 32 32 GLU CA C 32 58.603 58.603 56.171 2.432 25508 8297 1 18 . 1 1 32 32 GLU CB C 32 30.580 30.580 28.449 2.131 25508 8298 1 18 . 1 1 32 32 GLU H H 32 8.260 8.260 7.961 0.299 25508 8299 1 18 . 1 1 33 33 SER N N 33 108.887 108.887 114.458 -5.571 25508 8300 1 18 . 1 1 33 33 SER HA H 33 4.910 4.910 4.530 0.380 25508 8301 1 18 . 1 1 33 33 SER C C 33 171.776 171.776 174.086 -2.310 25508 8302 1 18 . 1 1 33 33 SER CA C 33 60.399 60.399 59.887 0.512 25508 8303 1 18 . 1 1 33 33 SER CB C 33 67.057 67.057 66.089 0.968 25508 8304 1 18 . 1 1 33 33 SER H H 33 7.553 7.553 7.774 -0.221 25508 8305 1 18 . 1 1 34 34 VAL N N 34 120.097 120.097 117.544 2.553 25508 8306 1 18 . 1 1 34 34 VAL CA C 34 61.287 61.287 61.451 -0.164 25508 8307 1 18 . 1 1 34 34 VAL CB C 34 34.048 34.048 32.532 1.516 25508 8308 1 18 . 1 1 34 34 VAL H H 34 8.396 8.396 8.104 0.291 25508 8309 1 18 . 1 1 35 35 SER HA H 35 4.107 4.107 5.189 -1.082 25508 8310 1 18 . 1 1 35 35 SER C C 35 174.321 174.321 174.934 -0.613 25508 8311 1 18 . 1 1 35 35 SER CA C 35 58.771 58.771 55.469 3.302 25508 8312 1 18 . 1 1 35 35 SER CB C 35 66.899 66.899 66.466 0.433 25508 8313 1 18 . 1 1 36 36 LYS N N 36 119.115 119.115 123.290 -4.175 25508 8314 1 18 . 1 1 36 36 LYS HA H 36 4.016 4.016 4.034 -0.018 25508 8315 1 18 . 1 1 36 36 LYS C C 36 179.407 179.407 177.666 1.741 25508 8316 1 18 . 1 1 36 36 LYS CA C 36 60.728 60.728 59.199 1.529 25508 8317 1 18 . 1 1 36 36 LYS CB C 36 32.746 32.746 32.542 0.204 25508 8318 1 18 . 1 1 36 36 LYS H H 36 8.562 8.562 8.504 0.058 25508 8319 1 18 . 1 1 37 37 GLN N N 37 118.142 118.142 118.952 -0.810 25508 8320 1 18 . 1 1 37 37 GLN HA H 37 3.970 3.970 4.266 -0.296 25508 8321 1 18 . 1 1 37 37 GLN C C 37 177.580 177.580 177.806 -0.226 25508 8322 1 18 . 1 1 37 37 GLN CA C 37 59.134 59.134 58.280 0.854 25508 8323 1 18 . 1 1 37 37 GLN CB C 37 28.534 28.534 28.560 -0.026 25508 8324 1 18 . 1 1 37 37 GLN H H 37 8.958 8.958 7.638 1.320 25508 8325 1 18 . 1 1 38 38 ALA N N 38 121.173 121.173 122.047 -0.874 25508 8326 1 18 . 1 1 38 38 ALA HA H 38 4.409 4.409 4.156 0.253 25508 8327 1 18 . 1 1 38 38 ALA C C 38 181.081 181.081 178.517 2.564 25508 8328 1 18 . 1 1 38 38 ALA CA C 38 55.065 55.065 53.992 1.073 25508 8329 1 18 . 1 1 38 38 ALA CB C 38 19.574 19.574 18.041 1.533 25508 8330 1 18 . 1 1 38 38 ALA H H 38 8.233 8.233 8.191 0.042 25508 8331 1 18 . 1 1 39 39 TRP N N 39 121.046 121.046 120.423 0.623 25508 8332 1 18 . 1 1 39 39 TRP HA H 39 4.898 4.898 4.245 0.653 25508 8333 1 18 . 1 1 39 39 TRP C C 39 176.886 176.886 177.429 -0.543 25508 8334 1 18 . 1 1 39 39 TRP CA C 39 60.403 60.403 60.435 -0.032 25508 8335 1 18 . 1 1 39 39 TRP CB C 39 30.640 30.640 29.583 1.057 25508 8336 1 18 . 1 1 39 39 TRP H H 39 8.891 8.891 8.508 0.383 25508 8337 1 18 . 1 1 40 40 GLN N N 40 117.010 117.010 116.621 0.389 25508 8338 1 18 . 1 1 40 40 GLN HA H 40 3.715 3.715 3.924 -0.209 25508 8339 1 18 . 1 1 40 40 GLN C C 40 179.512 179.512 178.385 1.127 25508 8340 1 18 . 1 1 40 40 GLN CA C 40 59.159 59.159 58.971 0.188 25508 8341 1 18 . 1 1 40 40 GLN CB C 40 27.821 27.821 27.903 -0.082 25508 8342 1 18 . 1 1 40 40 GLN H H 40 8.541 8.541 7.621 0.920 25508 8343 1 18 . 1 1 41 41 ASP N N 41 120.036 120.036 120.542 -0.506 25508 8344 1 18 . 1 1 41 41 ASP HA H 41 4.396 4.396 4.380 0.016 25508 8345 1 18 . 1 1 41 41 ASP C C 41 179.637 179.637 177.894 1.743 25508 8346 1 18 . 1 1 41 41 ASP CA C 41 57.571 57.571 57.060 0.511 25508 8347 1 18 . 1 1 41 41 ASP CB C 41 40.205 40.205 40.905 -0.700 25508 8348 1 18 . 1 1 41 41 ASP H H 41 8.119 8.119 7.718 0.401 25508 8349 1 18 . 1 1 42 42 TRP N N 42 123.295 123.295 121.230 2.065 25508 8350 1 18 . 1 1 42 42 TRP HA H 42 3.992 3.992 4.123 -0.131 25508 8351 1 18 . 1 1 42 42 TRP C C 42 176.559 176.559 177.497 -0.938 25508 8352 1 18 . 1 1 42 42 TRP CA C 42 58.825 58.825 60.025 -1.200 25508 8353 1 18 . 1 1 42 42 TRP CB C 42 30.101 30.101 29.460 0.641 25508 8354 1 18 . 1 1 42 42 TRP H H 42 8.015 8.015 7.424 0.591 25508 8355 1 18 . 1 1 43 43 LEU N N 43 118.444 118.444 117.446 0.998 25508 8356 1 18 . 1 1 43 43 LEU HA H 43 3.073 3.073 3.437 -0.364 25508 8357 1 18 . 1 1 43 43 LEU C C 43 180.127 180.127 179.077 1.050 25508 8358 1 18 . 1 1 43 43 LEU CA C 43 57.710 57.710 57.367 0.343 25508 8359 1 18 . 1 1 43 43 LEU CB C 43 40.675 40.675 40.841 -0.166 25508 8360 1 18 . 1 1 43 43 LEU H H 43 8.027 8.027 7.320 0.707 25508 8361 1 18 . 1 1 44 44 LYS N N 44 117.577 117.577 119.899 -2.322 25508 8362 1 18 . 1 1 44 44 LYS HA H 44 3.871 3.871 3.961 -0.090 25508 8363 1 18 . 1 1 44 44 LYS C C 44 179.010 179.010 178.325 0.685 25508 8364 1 18 . 1 1 44 44 LYS CA C 44 59.496 59.496 58.517 0.979 25508 8365 1 18 . 1 1 44 44 LYS CB C 44 32.301 32.301 32.107 0.194 25508 8366 1 18 . 1 1 44 44 LYS H H 44 7.065 7.065 7.336 -0.271 25508 8367 1 18 . 1 1 45 45 GLN N N 45 120.755 120.755 118.258 2.497 25508 8368 1 18 . 1 1 45 45 GLN HA H 45 3.834 3.834 3.990 -0.156 25508 8369 1 18 . 1 1 45 45 GLN C C 45 177.807 177.807 177.951 -0.144 25508 8370 1 18 . 1 1 45 45 GLN CA C 45 57.760 57.760 58.349 -0.589 25508 8371 1 18 . 1 1 45 45 GLN CB C 45 27.623 27.623 28.095 -0.472 25508 8372 1 18 . 1 1 45 45 GLN H H 45 7.033 7.033 7.440 -0.407 25508 8373 1 18 . 1 1 46 46 GLN N N 46 120.768 120.768 119.932 0.836 25508 8374 1 18 . 1 1 46 46 GLN HA H 46 3.065 3.065 3.444 -0.379 25508 8375 1 18 . 1 1 46 46 GLN C C 46 177.167 177.167 178.185 -1.018 25508 8376 1 18 . 1 1 46 46 GLN CA C 46 59.136 59.136 59.652 -0.516 25508 8377 1 18 . 1 1 46 46 GLN CB C 46 28.416 28.416 28.151 0.265 25508 8378 1 18 . 1 1 46 46 GLN H H 46 8.346 8.346 8.136 0.210 25508 8379 1 18 . 1 1 47 47 THR N N 47 114.925 114.925 115.507 -0.582 25508 8380 1 18 . 1 1 47 47 THR HA H 47 3.690 3.690 3.932 -0.242 25508 8381 1 18 . 1 1 47 47 THR C C 47 175.615 175.615 176.338 -0.723 25508 8382 1 18 . 1 1 47 47 THR CA C 47 66.804 66.804 66.603 0.201 25508 8383 1 18 . 1 1 47 47 THR CB C 47 68.895 68.895 68.548 0.347 25508 8384 1 18 . 1 1 47 47 THR H H 47 7.629 7.629 7.271 0.358 25508 8385 1 18 . 1 1 48 48 MET N N 48 120.050 120.050 121.232 -1.182 25508 8386 1 18 . 1 1 48 48 MET HA H 48 4.117 4.117 3.960 0.157 25508 8387 1 18 . 1 1 48 48 MET C C 48 177.928 177.928 178.488 -0.560 25508 8388 1 18 . 1 1 48 48 MET CA C 48 59.041 59.041 59.564 -0.523 25508 8389 1 18 . 1 1 48 48 MET CB C 48 31.985 31.985 32.378 -0.393 25508 8390 1 18 . 1 1 48 48 MET H H 48 7.077 7.077 7.442 -0.365 25508 8391 1 18 . 1 1 49 49 LEU N N 49 120.156 120.156 120.195 -0.039 25508 8392 1 18 . 1 1 49 49 LEU HA H 49 3.991 3.991 4.107 -0.116 25508 8393 1 18 . 1 1 49 49 LEU C C 49 180.284 180.284 179.352 0.932 25508 8394 1 18 . 1 1 49 49 LEU CA C 49 58.157 58.157 58.264 -0.107 25508 8395 1 18 . 1 1 49 49 LEU CB C 49 42.723 42.723 41.243 1.480 25508 8396 1 18 . 1 1 49 49 LEU H H 49 7.982 7.982 8.480 -0.498 25508 8397 1 18 . 1 1 50 50 ILE N N 50 119.987 119.987 119.415 0.572 25508 8398 1 18 . 1 1 50 50 ILE HA H 50 3.487 3.487 3.480 0.007 25508 8399 1 18 . 1 1 50 50 ILE C C 50 178.074 178.074 178.578 -0.504 25508 8400 1 18 . 1 1 50 50 ILE CA C 50 65.734 65.734 65.627 0.107 25508 8401 1 18 . 1 1 50 50 ILE CB C 50 38.622 38.622 37.476 1.146 25508 8402 1 18 . 1 1 50 50 ILE H H 50 8.275 8.275 8.086 0.189 25508 8403 1 18 . 1 1 51 51 ASN N N 51 117.331 117.331 117.169 0.162 25508 8404 1 18 . 1 1 51 51 ASN HA H 51 4.493 4.493 4.439 0.054 25508 8405 1 18 . 1 1 51 51 ASN C C 51 178.621 178.621 177.156 1.465 25508 8406 1 18 . 1 1 51 51 ASN CA C 51 55.787 55.787 56.350 -0.563 25508 8407 1 18 . 1 1 51 51 ASN CB C 51 38.273 38.273 38.668 -0.395 25508 8408 1 18 . 1 1 51 51 ASN H H 51 7.902 7.902 8.362 -0.460 25508 8409 1 18 . 1 1 52 52 GLU N N 52 120.128 120.128 120.780 -0.652 25508 8410 1 18 . 1 1 52 52 GLU HA H 52 4.006 4.006 4.101 -0.095 25508 8411 1 18 . 1 1 52 52 GLU C C 52 177.628 177.628 178.303 -0.675 25508 8412 1 18 . 1 1 52 52 GLU CA C 52 59.034 59.034 59.059 -0.025 25508 8413 1 18 . 1 1 52 52 GLU CB C 52 29.714 29.714 29.820 -0.106 25508 8414 1 18 . 1 1 52 52 GLU H H 52 8.958 8.958 8.116 0.842 25508 8415 1 18 . 1 1 53 53 ASN N N 53 112.872 112.872 115.985 -3.113 25508 8416 1 18 . 1 1 53 53 ASN HA H 53 4.666 4.666 4.546 0.120 25508 8417 1 18 . 1 1 53 53 ASN C C 53 173.022 173.022 174.797 -1.775 25508 8418 1 18 . 1 1 53 53 ASN CA C 53 53.416 53.416 53.923 -0.507 25508 8419 1 18 . 1 1 53 53 ASN CB C 53 38.938 38.938 38.738 0.200 25508 8420 1 18 . 1 1 53 53 ASN H H 53 7.535 7.535 8.193 -0.658 25508 8421 1 18 . 1 1 54 54 ARG N N 54 118.579 118.579 116.835 1.744 25508 8422 1 18 . 1 1 54 54 ARG HA H 54 3.975 3.975 4.076 -0.101 25508 8423 1 18 . 1 1 54 54 ARG C C 54 176.170 176.170 175.061 1.109 25508 8424 1 18 . 1 1 54 54 ARG CA C 54 56.615 56.615 56.428 0.187 25508 8425 1 18 . 1 1 54 54 ARG CB C 54 27.180 27.180 27.751 -0.571 25508 8426 1 18 . 1 1 54 54 ARG H H 54 7.696 7.696 7.435 0.261 25508 8427 1 18 . 1 1 55 55 LEU N N 55 116.705 116.705 118.859 -2.154 25508 8428 1 18 . 1 1 55 55 LEU HA H 55 4.097 4.097 4.312 -0.215 25508 8429 1 18 . 1 1 55 55 LEU C C 55 176.242 176.242 177.013 -0.771 25508 8430 1 18 . 1 1 55 55 LEU CA C 55 55.099 55.099 54.263 0.836 25508 8431 1 18 . 1 1 55 55 LEU CB C 55 42.694 42.694 42.888 -0.194 25508 8432 1 18 . 1 1 55 55 LEU H H 55 7.927 7.927 7.723 0.204 25508 8433 1 18 . 1 1 56 56 ASN N N 56 120.616 120.616 119.575 1.041 25508 8434 1 18 . 1 1 56 56 ASN HA H 56 4.708 4.708 4.901 -0.193 25508 8435 1 18 . 1 1 56 56 ASN C C 56 176.058 176.058 176.100 -0.042 25508 8436 1 18 . 1 1 56 56 ASN CA C 56 51.440 51.440 52.013 -0.573 25508 8437 1 18 . 1 1 56 56 ASN CB C 56 38.554 38.554 38.630 -0.076 25508 8438 1 18 . 1 1 56 56 ASN H H 56 8.530 8.530 8.524 0.006 25508 8439 1 18 . 1 1 57 57 MET N N 57 121.659 121.659 123.264 -1.605 25508 8440 1 18 . 1 1 57 57 MET HA H 57 4.341 4.341 4.028 0.313 25508 8441 1 18 . 1 1 57 57 MET C C 57 176.694 176.694 177.581 -0.887 25508 8442 1 18 . 1 1 57 57 MET CA C 57 55.717 55.717 58.880 -3.163 25508 8443 1 18 . 1 1 57 57 MET CB C 57 30.266 30.266 32.610 -2.344 25508 8444 1 18 . 1 1 57 57 MET H H 57 8.628 8.628 8.270 0.358 25508 8445 1 18 . 1 1 58 58 ALA N N 58 120.515 120.515 120.050 0.465 25508 8446 1 18 . 1 1 58 58 ALA HA H 58 4.267 4.267 4.108 0.159 25508 8447 1 18 . 1 1 58 58 ALA C C 58 177.625 177.625 177.810 -0.185 25508 8448 1 18 . 1 1 58 58 ALA CA C 58 52.643 52.643 53.510 -0.867 25508 8449 1 18 . 1 1 58 58 ALA CB C 58 18.667 18.667 18.644 0.023 25508 8450 1 18 . 1 1 58 58 ALA H H 58 7.988 7.988 7.994 -0.006 25508 8451 1 18 . 1 1 59 59 ASP N N 59 121.926 121.926 116.527 5.399 25508 8452 1 18 . 1 1 59 59 ASP CA C 59 50.871 50.871 51.543 -0.672 25508 8453 1 18 . 1 1 59 59 ASP CB C 59 42.450 42.450 41.964 0.486 25508 8454 1 18 . 1 1 59 59 ASP H H 59 8.024 8.024 7.811 0.213 25508 8455 1 18 . 1 1 60 60 PRO HA H 60 4.186 4.186 4.371 -0.185 25508 8456 1 18 . 1 1 60 60 PRO C C 60 179.232 179.232 177.899 1.333 25508 8457 1 18 . 1 1 60 60 PRO CA C 60 65.347 65.347 64.275 1.072 25508 8458 1 18 . 1 1 60 60 PRO CB C 60 32.399 32.399 32.340 0.059 25508 8459 1 18 . 1 1 61 61 ARG N N 61 117.390 117.390 119.063 -1.673 25508 8460 1 18 . 1 1 61 61 ARG HA H 61 4.107 4.107 4.163 -0.056 25508 8461 1 18 . 1 1 61 61 ARG C C 61 179.817 179.817 178.128 1.689 25508 8462 1 18 . 1 1 61 61 ARG CA C 61 59.098 59.098 58.920 0.178 25508 8463 1 18 . 1 1 61 61 ARG CB C 61 29.670 29.670 29.036 0.634 25508 8464 1 18 . 1 1 61 61 ARG H H 61 8.597 8.597 8.610 -0.013 25508 8465 1 18 . 1 1 62 62 ALA N N 62 124.172 124.172 120.007 4.165 25508 8466 1 18 . 1 1 62 62 ALA HA H 62 4.201 4.201 4.343 -0.142 25508 8467 1 18 . 1 1 62 62 ALA C C 62 179.726 179.726 179.623 0.103 25508 8468 1 18 . 1 1 62 62 ALA CA C 62 55.011 55.011 54.321 0.690 25508 8469 1 18 . 1 1 62 62 ALA CB C 62 19.251 19.251 18.562 0.689 25508 8470 1 18 . 1 1 62 62 ALA H H 62 7.597 7.597 7.602 -0.005 25508 8471 1 18 . 1 1 63 63 ARG N N 63 116.483 116.483 117.771 -1.288 25508 8472 1 18 . 1 1 63 63 ARG HA H 63 3.985 3.985 4.386 -0.401 25508 8473 1 18 . 1 1 63 63 ARG C C 63 179.234 179.234 178.777 0.457 25508 8474 1 18 . 1 1 63 63 ARG CA C 63 60.029 60.029 57.641 2.388 25508 8475 1 18 . 1 1 63 63 ARG CB C 63 29.806 29.806 29.625 0.181 25508 8476 1 18 . 1 1 63 63 ARG H H 63 7.640 7.640 7.733 -0.093 25508 8477 1 18 . 1 1 64 64 GLN N N 64 119.143 119.143 118.692 0.451 25508 8478 1 18 . 1 1 64 64 GLN HA H 64 4.095 4.095 4.243 -0.148 25508 8479 1 18 . 1 1 64 64 GLN C C 64 178.261 178.261 177.182 1.079 25508 8480 1 18 . 1 1 64 64 GLN CA C 64 59.183 59.183 57.832 1.351 25508 8481 1 18 . 1 1 64 64 GLN CB C 64 28.266 28.266 28.775 -0.509 25508 8482 1 18 . 1 1 64 64 GLN H H 64 8.114 8.114 8.371 -0.257 25508 8483 1 18 . 1 1 65 65 TYR N N 65 121.413 121.413 120.225 1.188 25508 8484 1 18 . 1 1 65 65 TYR HA H 65 4.321 4.321 4.367 -0.046 25508 8485 1 18 . 1 1 65 65 TYR C C 65 180.478 180.478 177.745 2.733 25508 8486 1 18 . 1 1 65 65 TYR CA C 65 61.407 61.407 60.892 0.515 25508 8487 1 18 . 1 1 65 65 TYR CB C 65 37.831 37.831 38.862 -1.031 25508 8488 1 18 . 1 1 65 65 TYR H H 65 7.929 7.929 7.628 0.301 25508 8489 1 18 . 1 1 66 66 LEU N N 66 119.499 119.499 120.217 -0.718 25508 8490 1 18 . 1 1 66 66 LEU HA H 66 3.870 3.870 3.874 -0.004 25508 8491 1 18 . 1 1 66 66 LEU C C 66 180.847 180.847 178.650 2.197 25508 8492 1 18 . 1 1 66 66 LEU CA C 66 57.959 57.959 57.743 0.216 25508 8493 1 18 . 1 1 66 66 LEU CB C 66 41.522 41.522 41.888 -0.366 25508 8494 1 18 . 1 1 66 66 LEU H H 66 8.328 8.328 7.724 0.604 25508 8495 1 18 . 1 1 67 67 MET N N 67 122.316 122.316 116.875 5.441 25508 8496 1 18 . 1 1 67 67 MET HA H 67 4.100 4.100 4.106 -0.006 25508 8497 1 18 . 1 1 67 67 MET C C 67 178.402 178.402 178.447 -0.045 25508 8498 1 18 . 1 1 67 67 MET CA C 67 59.693 59.693 58.849 0.844 25508 8499 1 18 . 1 1 67 67 MET CB C 67 32.202 32.202 32.373 -0.171 25508 8500 1 18 . 1 1 67 67 MET H H 67 8.480 8.480 7.783 0.697 25508 8501 1 18 . 1 1 68 68 LYS N N 68 120.460 120.460 117.101 3.359 25508 8502 1 18 . 1 1 68 68 LYS HA H 68 4.160 4.160 4.167 -0.007 25508 8503 1 18 . 1 1 68 68 LYS C C 68 179.963 179.963 179.059 0.904 25508 8504 1 18 . 1 1 68 68 LYS CA C 68 58.857 58.857 58.244 0.613 25508 8505 1 18 . 1 1 68 68 LYS CB C 68 31.276 31.276 31.786 -0.510 25508 8506 1 18 . 1 1 68 68 LYS H H 68 8.024 8.024 7.906 0.118 25508 8507 1 18 . 1 1 69 69 GLN N N 69 117.834 117.834 116.820 1.014 25508 8508 1 18 . 1 1 69 69 GLN HA H 69 3.858 3.858 4.370 -0.512 25508 8509 1 18 . 1 1 69 69 GLN C C 69 178.013 178.013 177.271 0.742 25508 8510 1 18 . 1 1 69 69 GLN CA C 69 58.097 58.097 56.894 1.203 25508 8511 1 18 . 1 1 69 69 GLN CB C 69 27.601 27.601 28.755 -1.154 25508 8512 1 18 . 1 1 69 69 GLN H H 69 8.281 8.281 7.982 0.299 25508 8513 1 18 . 1 1 70 70 THR N N 70 119.066 119.066 114.574 4.492 25508 8514 1 18 . 1 1 70 70 THR HA H 70 2.666 2.666 4.104 -1.438 25508 8515 1 18 . 1 1 70 70 THR C C 70 175.189 175.189 175.755 -0.566 25508 8516 1 18 . 1 1 70 70 THR CA C 70 66.732 66.732 65.154 1.578 25508 8517 1 18 . 1 1 70 70 THR CB C 70 68.451 68.451 68.818 -0.367 25508 8518 1 18 . 1 1 70 70 THR H H 70 8.245 8.245 7.605 0.640 25508 8519 1 18 . 1 1 71 71 GLU N N 71 121.112 121.112 122.143 -1.031 25508 8520 1 18 . 1 1 71 71 GLU HA H 71 3.873 3.873 4.123 -0.250 25508 8521 1 18 . 1 1 71 71 GLU C C 71 177.903 177.903 178.443 -0.540 25508 8522 1 18 . 1 1 71 71 GLU CA C 71 60.325 60.325 59.747 0.578 25508 8523 1 18 . 1 1 71 71 GLU CB C 71 30.065 30.065 29.732 0.333 25508 8524 1 18 . 1 1 71 71 GLU H H 71 7.872 7.872 7.877 -0.005 25508 8525 1 18 . 1 1 72 72 LYS N N 72 118.112 118.112 118.320 -0.208 25508 8526 1 18 . 1 1 72 72 LYS HA H 72 3.853 3.853 4.137 -0.284 25508 8527 1 18 . 1 1 72 72 LYS C C 72 178.447 178.447 177.931 0.516 25508 8528 1 18 . 1 1 72 72 LYS CA C 72 59.199 59.199 58.553 0.646 25508 8529 1 18 . 1 1 72 72 LYS CB C 72 32.705 32.705 31.895 0.810 25508 8530 1 18 . 1 1 72 72 LYS H H 72 7.932 7.932 7.746 0.186 25508 8531 1 18 . 1 1 73 73 TYR N N 73 119.703 119.703 117.558 2.145 25508 8532 1 18 . 1 1 73 73 TYR HA H 73 3.704 3.704 4.231 -0.527 25508 8533 1 18 . 1 1 73 73 TYR C C 73 176.953 176.953 177.589 -0.636 25508 8534 1 18 . 1 1 73 73 TYR CA C 73 61.540 61.540 61.136 0.404 25508 8535 1 18 . 1 1 73 73 TYR CB C 73 38.266 38.266 38.411 -0.145 25508 8536 1 18 . 1 1 73 73 TYR H H 73 7.800 7.800 7.905 -0.105 25508 8537 1 18 . 1 1 74 74 PHE N N 74 111.749 111.749 117.391 -5.642 25508 8538 1 18 . 1 1 74 74 PHE HA H 74 3.886 3.886 4.326 -0.440 25508 8539 1 18 . 1 1 74 74 PHE C C 74 176.300 176.300 176.276 0.024 25508 8540 1 18 . 1 1 74 74 PHE CA C 74 61.784 61.784 59.075 2.709 25508 8541 1 18 . 1 1 74 74 PHE CB C 74 39.690 39.690 39.875 -0.185 25508 8542 1 18 . 1 1 74 74 PHE H H 74 7.139 7.139 7.636 -0.497 25508 8543 1 18 . 1 1 75 75 PHE N N 75 114.845 114.845 116.527 -1.682 25508 8544 1 18 . 1 1 75 75 PHE HA H 75 5.009 5.009 4.225 0.784 25508 8545 1 18 . 1 1 75 75 PHE C C 75 176.448 176.448 175.859 0.589 25508 8546 1 18 . 1 1 75 75 PHE CA C 75 56.575 56.575 58.334 -1.759 25508 8547 1 18 . 1 1 75 75 PHE CB C 75 40.353 40.353 38.300 2.053 25508 8548 1 18 . 1 1 75 75 PHE H H 75 8.275 8.275 7.539 0.736 25508 8549 1 18 . 1 1 76 76 GLY N N 76 109.977 109.977 106.014 3.963 25508 8550 1 18 . 1 1 76 76 GLY C C 76 173.602 173.602 173.274 0.328 25508 8551 1 18 . 1 1 76 76 GLY CA C 76 45.375 45.375 44.276 1.099 25508 8552 1 18 . 1 1 76 76 GLY H H 76 7.836 7.836 7.193 0.643 25508 8553 1 18 . 1 1 77 77 GLU N N 77 120.068 120.068 119.626 0.442 25508 8554 1 18 . 1 1 77 77 GLU HA H 77 4.259 4.259 4.274 -0.015 25508 8555 1 18 . 1 1 77 77 GLU C C 77 176.925 176.925 176.300 0.625 25508 8556 1 18 . 1 1 77 77 GLU CA C 77 56.647 56.647 56.553 0.094 25508 8557 1 18 . 1 1 77 77 GLU CB C 77 30.694 30.694 29.842 0.852 25508 8558 1 18 . 1 1 77 77 GLU H H 77 8.445 8.445 8.532 -0.087 25508 8559 1 18 . 1 1 78 78 GLY N N 78 110.135 110.135 109.930 0.205 25508 8560 1 18 . 1 1 78 78 GLY C C 78 174.241 174.241 174.531 -0.290 25508 8561 1 18 . 1 1 78 78 GLY CA C 78 45.368 45.368 45.200 0.168 25508 8562 1 18 . 1 1 78 78 GLY H H 78 8.457 8.457 7.679 0.778 25508 8563 1 18 . 1 1 79 79 ALA N N 79 123.773 123.773 124.701 -0.928 25508 8564 1 18 . 1 1 79 79 ALA HA H 79 4.208 4.208 4.110 0.098 25508 8565 1 18 . 1 1 79 79 ALA C C 79 177.657 177.657 177.647 0.010 25508 8566 1 18 . 1 1 79 79 ALA CA C 79 52.782 52.782 52.478 0.304 25508 8567 1 18 . 1 1 79 79 ALA CB C 79 19.145 19.145 19.029 0.116 25508 8568 1 18 . 1 1 79 79 ALA H H 79 8.195 8.195 8.153 0.042 25508 8569 1 18 . 1 1 80 80 ASP N N 80 118.833 118.833 121.366 -2.533 25508 8570 1 18 . 1 1 80 80 ASP HA H 80 4.473 4.473 4.542 -0.069 25508 8571 1 18 . 1 1 80 80 ASP C C 80 176.374 176.374 175.977 0.397 25508 8572 1 18 . 1 1 80 80 ASP CA C 80 54.383 54.383 54.382 0.001 25508 8573 1 18 . 1 1 80 80 ASP CB C 80 40.940 40.940 42.097 -1.157 25508 8574 1 18 . 1 1 80 80 ASP H H 80 8.347 8.347 8.424 -0.077 25508 8575 1 18 . 1 1 81 81 GLN N N 81 120.376 120.376 122.092 -1.716 25508 8576 1 18 . 1 1 81 81 GLN HA H 81 4.225 4.225 4.268 -0.043 25508 8577 1 18 . 1 1 81 81 GLN C C 81 176.029 176.029 174.820 1.209 25508 8578 1 18 . 1 1 81 81 GLN CA C 81 55.969 55.969 56.193 -0.224 25508 8579 1 18 . 1 1 81 81 GLN CB C 81 29.242 29.242 29.368 -0.126 25508 8580 1 18 . 1 1 81 81 GLN H H 81 8.188 8.188 8.428 -0.240 25508 8581 1 18 . 1 1 82 82 ALA N N 82 124.734 124.734 124.213 0.521 25508 8582 1 18 . 1 1 82 82 ALA HA H 82 4.271 4.271 4.489 -0.218 25508 8583 1 18 . 1 1 82 82 ALA C C 82 178.011 178.011 176.367 1.644 25508 8584 1 18 . 1 1 82 82 ALA CA C 82 52.680 52.680 52.315 0.365 25508 8585 1 18 . 1 1 82 82 ALA CB C 82 19.023 19.023 20.113 -1.090 25508 8586 1 18 . 1 1 82 82 ALA H H 82 8.307 8.307 8.128 0.179 25508 8587 1 18 . 1 1 83 83 SER N N 83 114.999 114.999 117.524 -2.525 25508 8588 1 18 . 1 1 83 83 SER HA H 83 4.368 4.368 4.192 0.176 25508 8589 1 18 . 1 1 83 83 SER C C 83 175.141 175.141 174.408 0.733 25508 8590 1 18 . 1 1 83 83 SER CA C 83 58.843 58.843 58.944 -0.101 25508 8591 1 18 . 1 1 83 83 SER CB C 83 63.849 63.849 61.901 1.948 25508 8592 1 18 . 1 1 83 83 SER H H 83 8.269 8.269 8.683 -0.414 25508 8593 1 18 . 1 1 84 84 GLY N N 84 110.722 110.722 108.826 1.896 25508 8594 1 18 . 1 1 84 84 GLY C C 84 173.457 173.457 172.305 1.152 25508 8595 1 18 . 1 1 84 84 GLY CA C 84 45.168 45.168 45.277 -0.109 25508 8596 1 18 . 1 1 84 84 GLY H H 84 8.324 8.324 8.110 0.214 25508 8597 1 18 . 1 1 85 85 TYR N N 85 121.054 121.054 122.777 -1.723 25508 8598 1 18 . 1 1 85 85 TYR HA H 85 4.395 4.395 4.617 -0.222 25508 8599 1 18 . 1 1 85 85 TYR C C 85 174.866 174.866 175.589 -0.723 25508 8600 1 18 . 1 1 85 85 TYR CA C 85 58.433 58.433 57.331 1.102 25508 8601 1 18 . 1 1 85 85 TYR CB C 85 38.856 38.856 41.740 -2.884 25508 8602 1 18 . 1 1 85 85 TYR H H 85 7.982 7.982 8.142 -0.160 25508 8603 1 18 . 1 1 86 86 VAL N N 86 127.973 127.973 120.667 7.306 25508 8604 1 18 . 1 1 86 86 VAL CA C 86 58.815 58.815 62.179 -3.364 25508 8605 1 18 . 1 1 86 86 VAL CB C 86 33.360 33.360 30.679 2.681 25508 8606 1 18 . 1 1 86 86 VAL H H 86 7.734 7.734 8.611 -0.877 25508 8607 1 18 . 1 1 88 88 PRO HA H 88 4.320 4.320 4.311 0.009 25508 8608 1 18 . 1 1 88 88 PRO C C 88 176.654 176.654 176.392 0.262 25508 8609 1 18 . 1 1 88 88 PRO CA C 88 62.735 62.735 63.997 -1.262 25508 8610 1 18 . 1 1 88 88 PRO CB C 88 32.007 32.007 31.865 0.142 25508 8611 1 18 . 1 1 89 89 ALA N N 89 124.497 124.497 120.135 4.362 25508 8612 1 18 . 1 1 89 89 ALA HA H 89 4.213 4.213 4.403 -0.190 25508 8613 1 18 . 1 1 89 89 ALA C C 89 177.739 177.739 175.412 2.327 25508 8614 1 18 . 1 1 89 89 ALA CA C 89 52.564 52.564 51.527 1.037 25508 8615 1 18 . 1 1 89 89 ALA CB C 89 19.103 19.103 20.273 -1.170 25508 8616 1 18 . 1 1 89 89 ALA H H 89 8.332 8.332 7.496 0.836 25508 8617 1 18 . 1 1 90 90 GLN N N 90 119.712 119.712 120.921 -1.209 25508 8618 1 18 . 1 1 90 90 GLN HA H 90 4.301 4.301 4.520 -0.219 25508 8619 1 18 . 1 1 90 90 GLN C C 90 175.302 175.302 175.474 -0.172 25508 8620 1 18 . 1 1 90 90 GLN CA C 90 55.717 55.717 55.256 0.461 25508 8621 1 18 . 1 1 90 90 GLN CB C 90 29.764 29.764 28.527 1.237 25508 8622 1 18 . 1 1 90 90 GLN H H 90 8.338 8.338 8.600 -0.262 25508 8623 1 19 . 1 1 2 2 ALA N N 2 125.581 125.581 126.098 -0.517 25508 8624 1 19 . 1 1 2 2 ALA HA H 2 4.204 4.204 4.180 0.024 25508 8625 1 19 . 1 1 2 2 ALA C C 2 176.764 176.764 177.749 -0.985 25508 8626 1 19 . 1 1 2 2 ALA CA C 2 52.280 52.280 53.801 -1.521 25508 8627 1 19 . 1 1 2 2 ALA CB C 2 19.494 19.494 19.371 0.123 25508 8628 1 19 . 1 1 2 2 ALA H H 2 8.203 8.203 8.503 -0.300 25508 8629 1 19 . 1 1 3 3 ARG N N 3 123.058 123.058 116.221 6.837 25508 8630 1 19 . 1 1 3 3 ARG HA H 3 4.247 4.247 4.468 -0.221 25508 8631 1 19 . 1 1 3 3 ARG C C 3 174.914 174.914 174.597 0.317 25508 8632 1 19 . 1 1 3 3 ARG CA C 3 55.678 55.678 54.940 0.738 25508 8633 1 19 . 1 1 3 3 ARG CB C 3 31.276 31.276 33.553 -2.277 25508 8634 1 19 . 1 1 3 3 ARG H H 3 8.649 8.649 7.747 0.902 25508 8635 1 19 . 1 1 4 4 MET N N 4 125.010 125.010 119.423 5.587 25508 8636 1 19 . 1 1 4 4 MET HA H 4 4.966 4.966 4.696 0.270 25508 8637 1 19 . 1 1 4 4 MET C C 4 176.144 176.144 175.253 0.891 25508 8638 1 19 . 1 1 4 4 MET CA C 4 53.311 53.311 54.892 -1.581 25508 8639 1 19 . 1 1 4 4 MET CB C 4 32.120 32.120 32.766 -0.646 25508 8640 1 19 . 1 1 4 4 MET H H 4 8.427 8.427 8.553 -0.126 25508 8641 1 19 . 1 1 5 5 ILE N N 5 117.850 117.850 117.528 0.322 25508 8642 1 19 . 1 1 5 5 ILE HA H 5 4.623 4.623 4.603 0.020 25508 8643 1 19 . 1 1 5 5 ILE C C 5 174.207 174.207 173.269 0.938 25508 8644 1 19 . 1 1 5 5 ILE CA C 5 58.353 58.353 58.895 -0.542 25508 8645 1 19 . 1 1 5 5 ILE CB C 5 42.910 42.910 41.747 1.163 25508 8646 1 19 . 1 1 5 5 ILE H H 5 8.860 8.860 8.690 0.170 25508 8647 1 19 . 1 1 6 6 HIS N N 6 120.378 120.378 118.362 2.016 25508 8648 1 19 . 1 1 6 6 HIS HA H 6 4.301 4.301 4.997 -0.696 25508 8649 1 19 . 1 1 6 6 HIS C C 6 173.087 173.087 174.954 -1.867 25508 8650 1 19 . 1 1 6 6 HIS CA C 6 56.131 56.131 53.692 2.439 25508 8651 1 19 . 1 1 6 6 HIS CB C 6 28.508 28.508 28.170 0.338 25508 8652 1 19 . 1 1 6 6 HIS H H 6 8.506 8.506 8.090 0.416 25508 8653 1 19 . 1 1 7 7 CYS N N 7 131.021 131.021 125.663 5.358 25508 8654 1 19 . 1 1 7 7 CYS HA H 7 4.154 4.154 3.911 0.243 25508 8655 1 19 . 1 1 7 7 CYS C C 7 177.621 177.621 175.793 1.828 25508 8656 1 19 . 1 1 7 7 CYS CA C 7 61.346 61.346 60.104 1.242 25508 8657 1 19 . 1 1 7 7 CYS CB C 7 31.004 31.004 27.807 3.197 25508 8658 1 19 . 1 1 7 7 CYS H H 7 7.873 7.873 8.209 -0.336 25508 8659 1 19 . 1 1 8 8 ALA N N 8 133.325 133.325 130.378 2.947 25508 8660 1 19 . 1 1 8 8 ALA HA H 8 4.229 4.229 3.626 0.603 25508 8661 1 19 . 1 1 8 8 ALA C C 8 178.608 178.608 176.969 1.639 25508 8662 1 19 . 1 1 8 8 ALA CA C 8 54.478 54.478 53.819 0.659 25508 8663 1 19 . 1 1 8 8 ALA CB C 8 19.264 19.264 17.375 1.889 25508 8664 1 19 . 1 1 8 8 ALA H H 8 9.543 9.543 7.958 1.585 25508 8665 1 19 . 1 1 9 9 LYS N N 9 122.128 122.128 116.668 5.460 25508 8666 1 19 . 1 1 9 9 LYS CA C 9 56.353 56.353 57.461 -1.108 25508 8667 1 19 . 1 1 9 9 LYS CB C 9 33.619 33.619 32.703 0.916 25508 8668 1 19 . 1 1 9 9 LYS H H 9 9.739 9.739 7.691 2.048 25508 8669 1 19 . 1 1 10 10 LEU HA H 10 4.194 4.194 4.060 0.134 25508 8670 1 19 . 1 1 10 10 LEU C C 10 178.870 178.870 177.638 1.232 25508 8671 1 19 . 1 1 10 10 LEU CA C 10 55.934 55.934 56.114 -0.180 25508 8672 1 19 . 1 1 10 10 LEU CB C 10 42.693 42.693 42.639 0.054 25508 8673 1 19 . 1 1 11 11 GLY N N 11 107.385 107.385 103.599 3.786 25508 8674 1 19 . 1 1 11 11 GLY C C 11 173.268 173.268 173.620 -0.352 25508 8675 1 19 . 1 1 11 11 GLY CA C 11 46.756 46.756 44.557 2.199 25508 8676 1 19 . 1 1 11 11 GLY H H 11 8.258 8.258 7.994 0.264 25508 8677 1 19 . 1 1 12 12 LYS N N 12 112.456 112.456 117.993 -5.537 25508 8678 1 19 . 1 1 12 12 LYS HA H 12 4.547 4.547 4.660 -0.113 25508 8679 1 19 . 1 1 12 12 LYS C C 12 173.822 173.822 174.202 -0.380 25508 8680 1 19 . 1 1 12 12 LYS CA C 12 53.523 53.523 53.698 -0.175 25508 8681 1 19 . 1 1 12 12 LYS CB C 12 35.156 35.156 34.059 1.097 25508 8682 1 19 . 1 1 12 12 LYS H H 12 6.772 6.772 7.680 -0.908 25508 8683 1 19 . 1 1 13 13 GLU N N 13 121.058 121.058 120.101 0.957 25508 8684 1 19 . 1 1 13 13 GLU HA H 13 4.874 4.874 4.549 0.325 25508 8685 1 19 . 1 1 13 13 GLU C C 13 176.290 176.290 175.849 0.441 25508 8686 1 19 . 1 1 13 13 GLU CA C 13 56.291 56.291 56.595 -0.304 25508 8687 1 19 . 1 1 13 13 GLU CB C 13 29.827 29.827 30.194 -0.367 25508 8688 1 19 . 1 1 13 13 GLU H H 13 8.402 8.402 8.512 -0.110 25508 8689 1 19 . 1 1 14 14 ALA N N 14 127.978 127.978 128.301 -0.323 25508 8690 1 19 . 1 1 14 14 ALA HA H 14 4.514 4.514 4.628 -0.114 25508 8691 1 19 . 1 1 14 14 ALA C C 14 175.156 175.156 175.104 0.052 25508 8692 1 19 . 1 1 14 14 ALA CA C 14 51.437 51.437 50.532 0.905 25508 8693 1 19 . 1 1 14 14 ALA CB C 14 23.586 23.586 22.356 1.230 25508 8694 1 19 . 1 1 14 14 ALA H H 14 9.330 9.330 8.938 0.392 25508 8695 1 19 . 1 1 15 15 GLU N N 15 120.272 120.272 119.154 1.118 25508 8696 1 19 . 1 1 15 15 GLU HA H 15 4.573 4.573 4.595 -0.022 25508 8697 1 19 . 1 1 15 15 GLU C C 15 178.292 178.292 176.530 1.762 25508 8698 1 19 . 1 1 15 15 GLU CA C 15 57.645 57.645 56.281 1.364 25508 8699 1 19 . 1 1 15 15 GLU CB C 15 30.016 30.016 30.244 -0.228 25508 8700 1 19 . 1 1 15 15 GLU H H 15 8.560 8.560 8.534 0.026 25508 8701 1 19 . 1 1 16 16 GLY N N 16 113.246 113.246 109.915 3.331 25508 8702 1 19 . 1 1 16 16 GLY C C 16 172.877 172.877 173.139 -0.262 25508 8703 1 19 . 1 1 16 16 GLY CA C 16 44.636 44.636 43.246 1.389 25508 8704 1 19 . 1 1 16 16 GLY H H 16 9.236 9.236 8.135 1.101 25508 8705 1 19 . 1 1 17 17 LEU N N 17 120.058 120.058 119.655 0.403 25508 8706 1 19 . 1 1 17 17 LEU HA H 17 3.960 3.960 3.863 0.097 25508 8707 1 19 . 1 1 17 17 LEU C C 17 177.457 177.457 176.716 0.741 25508 8708 1 19 . 1 1 17 17 LEU CA C 17 55.375 55.375 55.504 -0.129 25508 8709 1 19 . 1 1 17 17 LEU CB C 17 43.355 43.355 42.383 0.972 25508 8710 1 19 . 1 1 17 17 LEU H H 17 9.482 9.482 7.674 1.808 25508 8711 1 19 . 1 1 18 18 ASP N N 18 118.600 118.600 118.782 -0.182 25508 8712 1 19 . 1 1 18 18 ASP HA H 18 4.531 4.531 4.798 -0.267 25508 8713 1 19 . 1 1 18 18 ASP C C 18 175.929 175.929 173.816 2.113 25508 8714 1 19 . 1 1 18 18 ASP CA C 18 56.544 56.544 53.628 2.916 25508 8715 1 19 . 1 1 18 18 ASP CB C 18 41.655 41.655 40.497 1.158 25508 8716 1 19 . 1 1 18 18 ASP H H 18 8.848 8.848 7.445 1.403 25508 8717 1 19 . 1 1 19 19 PHE N N 19 113.195 113.195 113.187 0.008 25508 8718 1 19 . 1 1 19 19 PHE CA C 19 55.070 55.070 53.884 1.186 25508 8719 1 19 . 1 1 19 19 PHE CB C 19 38.588 38.588 38.977 -0.389 25508 8720 1 19 . 1 1 19 19 PHE H H 19 7.108 7.108 6.507 0.601 25508 8721 1 19 . 1 1 21 21 PRO HA H 21 4.357 4.357 4.519 -0.162 25508 8722 1 19 . 1 1 21 21 PRO C C 21 174.627 174.627 176.549 -1.922 25508 8723 1 19 . 1 1 21 21 PRO CA C 21 63.914 63.914 65.179 -1.265 25508 8724 1 19 . 1 1 21 21 PRO CB C 21 31.431 31.431 32.407 -0.976 25508 8725 1 19 . 1 1 22 22 LEU N N 22 117.643 117.643 117.189 0.454 25508 8726 1 19 . 1 1 22 22 LEU CA C 22 51.462 51.462 54.802 -3.340 25508 8727 1 19 . 1 1 22 22 LEU CB C 22 46.011 46.011 40.599 5.412 25508 8728 1 19 . 1 1 22 22 LEU H H 22 6.788 6.788 8.042 -1.254 25508 8729 1 19 . 1 1 24 24 GLY N N 24 105.443 105.443 106.222 -0.779 25508 8730 1 19 . 1 1 24 24 GLY C C 24 175.297 175.297 174.940 0.357 25508 8731 1 19 . 1 1 24 24 GLY CA C 24 45.381 45.381 45.483 -0.102 25508 8732 1 19 . 1 1 24 24 GLY H H 24 8.367 8.367 8.445 -0.078 25508 8733 1 19 . 1 1 25 25 GLU N N 25 122.031 122.031 120.050 1.981 25508 8734 1 19 . 1 1 25 25 GLU HA H 25 3.887 3.887 4.382 -0.495 25508 8735 1 19 . 1 1 25 25 GLU C C 25 179.015 179.015 178.519 0.496 25508 8736 1 19 . 1 1 25 25 GLU CA C 25 59.283 59.283 56.867 2.416 25508 8737 1 19 . 1 1 25 25 GLU CB C 25 29.176 29.176 29.823 -0.646 25508 8738 1 19 . 1 1 25 25 GLU H H 25 8.737 8.737 7.995 0.742 25508 8739 1 19 . 1 1 26 26 LEU N N 26 120.531 120.531 120.525 0.006 25508 8740 1 19 . 1 1 26 26 LEU HA H 26 4.104 4.104 4.148 -0.044 25508 8741 1 19 . 1 1 26 26 LEU C C 26 178.836 178.836 178.988 -0.152 25508 8742 1 19 . 1 1 26 26 LEU CA C 26 57.981 57.981 57.577 0.404 25508 8743 1 19 . 1 1 26 26 LEU CB C 26 40.939 40.939 41.677 -0.738 25508 8744 1 19 . 1 1 26 26 LEU H H 26 8.852 8.852 8.175 0.677 25508 8745 1 19 . 1 1 27 27 GLY N N 27 102.599 102.599 105.942 -3.343 25508 8746 1 19 . 1 1 27 27 GLY C C 27 175.874 175.874 175.635 0.239 25508 8747 1 19 . 1 1 27 27 GLY CA C 27 48.024 48.024 46.685 1.339 25508 8748 1 19 . 1 1 27 27 GLY H H 27 6.894 6.894 8.229 -1.335 25508 8749 1 19 . 1 1 28 28 LYS N N 28 122.738 122.738 120.764 1.974 25508 8750 1 19 . 1 1 28 28 LYS HA H 28 3.914 3.914 4.361 -0.447 25508 8751 1 19 . 1 1 28 28 LYS C C 28 177.965 177.965 178.653 -0.688 25508 8752 1 19 . 1 1 28 28 LYS CA C 28 59.844 59.844 58.685 1.159 25508 8753 1 19 . 1 1 28 28 LYS CB C 28 32.169 32.169 32.300 -0.131 25508 8754 1 19 . 1 1 28 28 LYS H H 28 7.449 7.449 8.502 -1.053 25508 8755 1 19 . 1 1 29 29 ARG N N 29 119.988 119.988 115.919 4.069 25508 8756 1 19 . 1 1 29 29 ARG HA H 29 3.998 3.998 4.580 -0.582 25508 8757 1 19 . 1 1 29 29 ARG CA C 29 59.876 59.876 57.656 2.220 25508 8758 1 19 . 1 1 29 29 ARG CB C 29 30.829 30.829 30.498 0.331 25508 8759 1 19 . 1 1 29 29 ARG H H 29 8.194 8.194 7.549 0.645 25508 8760 1 19 . 1 1 30 30 LEU N N 30 119.547 119.547 121.745 -2.198 25508 8761 1 19 . 1 1 30 30 LEU HA H 30 3.849 3.849 4.136 -0.287 25508 8762 1 19 . 1 1 30 30 LEU C C 30 177.351 177.351 178.415 -1.064 25508 8763 1 19 . 1 1 30 30 LEU CA C 30 58.068 58.068 58.043 0.025 25508 8764 1 19 . 1 1 30 30 LEU CB C 30 41.547 41.547 42.164 -0.617 25508 8765 1 19 . 1 1 30 30 LEU H H 30 8.333 8.333 8.168 0.165 25508 8766 1 19 . 1 1 31 31 TYR N N 31 118.033 118.033 117.765 0.268 25508 8767 1 19 . 1 1 31 31 TYR HA H 31 3.895 3.895 4.040 -0.145 25508 8768 1 19 . 1 1 31 31 TYR C C 31 178.434 178.434 175.924 2.510 25508 8769 1 19 . 1 1 31 31 TYR CA C 31 61.391 61.391 60.305 1.086 25508 8770 1 19 . 1 1 31 31 TYR CB C 31 39.083 39.083 37.841 1.242 25508 8771 1 19 . 1 1 31 31 TYR H H 31 8.106 8.106 8.399 -0.293 25508 8772 1 19 . 1 1 32 32 GLU N N 32 117.126 117.126 114.499 2.627 25508 8773 1 19 . 1 1 32 32 GLU HA H 32 3.926 3.926 3.841 0.085 25508 8774 1 19 . 1 1 32 32 GLU C C 32 178.370 178.370 176.129 2.241 25508 8775 1 19 . 1 1 32 32 GLU CA C 32 58.603 58.603 55.919 2.684 25508 8776 1 19 . 1 1 32 32 GLU CB C 32 30.580 30.580 28.715 1.865 25508 8777 1 19 . 1 1 32 32 GLU H H 32 8.260 8.260 7.897 0.363 25508 8778 1 19 . 1 1 33 33 SER N N 33 108.887 108.887 114.361 -5.474 25508 8779 1 19 . 1 1 33 33 SER HA H 33 4.910 4.910 4.521 0.389 25508 8780 1 19 . 1 1 33 33 SER C C 33 171.776 171.776 173.563 -1.787 25508 8781 1 19 . 1 1 33 33 SER CA C 33 60.399 60.399 60.006 0.393 25508 8782 1 19 . 1 1 33 33 SER CB C 33 67.057 67.057 65.793 1.264 25508 8783 1 19 . 1 1 33 33 SER H H 33 7.553 7.553 7.508 0.045 25508 8784 1 19 . 1 1 34 34 VAL N N 34 120.097 120.097 120.369 -0.272 25508 8785 1 19 . 1 1 34 34 VAL CA C 34 61.287 61.287 60.637 0.650 25508 8786 1 19 . 1 1 34 34 VAL CB C 34 34.048 34.048 33.598 0.450 25508 8787 1 19 . 1 1 34 34 VAL H H 34 8.396 8.396 8.037 0.359 25508 8788 1 19 . 1 1 35 35 SER HA H 35 4.107 4.107 4.742 -0.635 25508 8789 1 19 . 1 1 35 35 SER C C 35 174.321 174.321 174.495 -0.174 25508 8790 1 19 . 1 1 35 35 SER CA C 35 58.771 58.771 57.330 1.441 25508 8791 1 19 . 1 1 35 35 SER CB C 35 66.899 66.899 65.130 1.769 25508 8792 1 19 . 1 1 36 36 LYS N N 36 119.115 119.115 120.988 -1.873 25508 8793 1 19 . 1 1 36 36 LYS HA H 36 4.016 4.016 4.203 -0.187 25508 8794 1 19 . 1 1 36 36 LYS C C 36 179.407 179.407 178.366 1.041 25508 8795 1 19 . 1 1 36 36 LYS CA C 36 60.728 60.728 58.170 2.558 25508 8796 1 19 . 1 1 36 36 LYS CB C 36 32.746 32.746 32.550 0.196 25508 8797 1 19 . 1 1 36 36 LYS H H 36 8.562 8.562 8.587 -0.025 25508 8798 1 19 . 1 1 37 37 GLN N N 37 118.142 118.142 119.001 -0.859 25508 8799 1 19 . 1 1 37 37 GLN HA H 37 3.970 3.970 4.185 -0.215 25508 8800 1 19 . 1 1 37 37 GLN C C 37 177.580 177.580 178.210 -0.630 25508 8801 1 19 . 1 1 37 37 GLN CA C 37 59.134 59.134 58.674 0.460 25508 8802 1 19 . 1 1 37 37 GLN CB C 37 28.534 28.534 28.238 0.296 25508 8803 1 19 . 1 1 37 37 GLN H H 37 8.958 8.958 8.362 0.596 25508 8804 1 19 . 1 1 38 38 ALA N N 38 121.173 121.173 122.534 -1.361 25508 8805 1 19 . 1 1 38 38 ALA HA H 38 4.409 4.409 4.253 0.156 25508 8806 1 19 . 1 1 38 38 ALA C C 38 181.081 181.081 178.779 2.302 25508 8807 1 19 . 1 1 38 38 ALA CA C 38 55.065 55.065 54.089 0.976 25508 8808 1 19 . 1 1 38 38 ALA CB C 38 19.574 19.574 18.050 1.524 25508 8809 1 19 . 1 1 38 38 ALA H H 38 8.233 8.233 8.118 0.115 25508 8810 1 19 . 1 1 39 39 TRP N N 39 121.046 121.046 119.881 1.165 25508 8811 1 19 . 1 1 39 39 TRP HA H 39 4.898 4.898 4.360 0.538 25508 8812 1 19 . 1 1 39 39 TRP C C 39 176.886 176.886 177.474 -0.588 25508 8813 1 19 . 1 1 39 39 TRP CA C 39 60.403 60.403 60.344 0.059 25508 8814 1 19 . 1 1 39 39 TRP CB C 39 30.640 30.640 29.547 1.093 25508 8815 1 19 . 1 1 39 39 TRP H H 39 8.891 8.891 7.785 1.106 25508 8816 1 19 . 1 1 40 40 GLN N N 40 117.010 117.010 115.646 1.364 25508 8817 1 19 . 1 1 40 40 GLN HA H 40 3.715 3.715 4.049 -0.334 25508 8818 1 19 . 1 1 40 40 GLN C C 40 179.512 179.512 177.904 1.608 25508 8819 1 19 . 1 1 40 40 GLN CA C 40 59.159 59.159 58.506 0.653 25508 8820 1 19 . 1 1 40 40 GLN CB C 40 27.821 27.821 28.306 -0.485 25508 8821 1 19 . 1 1 40 40 GLN H H 40 8.541 8.541 7.529 1.012 25508 8822 1 19 . 1 1 41 41 ASP N N 41 120.036 120.036 121.498 -1.462 25508 8823 1 19 . 1 1 41 41 ASP HA H 41 4.396 4.396 4.414 -0.018 25508 8824 1 19 . 1 1 41 41 ASP C C 41 179.637 179.637 177.866 1.771 25508 8825 1 19 . 1 1 41 41 ASP CA C 41 57.571 57.571 57.365 0.206 25508 8826 1 19 . 1 1 41 41 ASP CB C 41 40.205 40.205 40.739 -0.534 25508 8827 1 19 . 1 1 41 41 ASP H H 41 8.119 8.119 7.422 0.697 25508 8828 1 19 . 1 1 42 42 TRP N N 42 123.295 123.295 121.574 1.721 25508 8829 1 19 . 1 1 42 42 TRP HA H 42 3.992 3.992 4.244 -0.252 25508 8830 1 19 . 1 1 42 42 TRP C C 42 176.559 176.559 177.749 -1.190 25508 8831 1 19 . 1 1 42 42 TRP CA C 42 58.825 58.825 61.074 -2.249 25508 8832 1 19 . 1 1 42 42 TRP CB C 42 30.101 30.101 29.160 0.941 25508 8833 1 19 . 1 1 42 42 TRP H H 42 8.015 8.015 8.454 -0.439 25508 8834 1 19 . 1 1 43 43 LEU N N 43 118.444 118.444 117.607 0.837 25508 8835 1 19 . 1 1 43 43 LEU HA H 43 3.073 3.073 3.432 -0.359 25508 8836 1 19 . 1 1 43 43 LEU C C 43 180.127 180.127 178.548 1.579 25508 8837 1 19 . 1 1 43 43 LEU CA C 43 57.710 57.710 56.974 0.736 25508 8838 1 19 . 1 1 43 43 LEU CB C 43 40.675 40.675 41.111 -0.437 25508 8839 1 19 . 1 1 43 43 LEU H H 43 8.027 8.027 7.465 0.562 25508 8840 1 19 . 1 1 44 44 LYS N N 44 117.577 117.577 118.946 -1.369 25508 8841 1 19 . 1 1 44 44 LYS HA H 44 3.871 3.871 3.852 0.019 25508 8842 1 19 . 1 1 44 44 LYS C C 44 179.010 179.010 178.995 0.015 25508 8843 1 19 . 1 1 44 44 LYS CA C 44 59.496 59.496 59.062 0.433 25508 8844 1 19 . 1 1 44 44 LYS CB C 44 32.301 32.301 31.666 0.635 25508 8845 1 19 . 1 1 44 44 LYS H H 44 7.065 7.065 7.428 -0.363 25508 8846 1 19 . 1 1 45 45 GLN N N 45 120.755 120.755 117.852 2.903 25508 8847 1 19 . 1 1 45 45 GLN HA H 45 3.834 3.834 3.947 -0.113 25508 8848 1 19 . 1 1 45 45 GLN C C 45 177.807 177.807 178.057 -0.250 25508 8849 1 19 . 1 1 45 45 GLN CA C 45 57.760 57.760 58.523 -0.763 25508 8850 1 19 . 1 1 45 45 GLN CB C 45 27.623 27.623 27.695 -0.072 25508 8851 1 19 . 1 1 45 45 GLN H H 45 7.033 7.033 7.600 -0.567 25508 8852 1 19 . 1 1 46 46 GLN N N 46 120.768 120.768 120.262 0.506 25508 8853 1 19 . 1 1 46 46 GLN HA H 46 3.065 3.065 3.728 -0.663 25508 8854 1 19 . 1 1 46 46 GLN C C 46 177.167 177.167 178.422 -1.255 25508 8855 1 19 . 1 1 46 46 GLN CA C 46 59.136 59.136 59.399 -0.263 25508 8856 1 19 . 1 1 46 46 GLN CB C 46 28.416 28.416 28.289 0.127 25508 8857 1 19 . 1 1 46 46 GLN H H 46 8.346 8.346 7.439 0.907 25508 8858 1 19 . 1 1 47 47 THR N N 47 114.925 114.925 115.426 -0.501 25508 8859 1 19 . 1 1 47 47 THR HA H 47 3.690 3.690 3.972 -0.282 25508 8860 1 19 . 1 1 47 47 THR C C 47 175.615 175.615 176.251 -0.636 25508 8861 1 19 . 1 1 47 47 THR CA C 47 66.804 66.804 66.664 0.140 25508 8862 1 19 . 1 1 47 47 THR CB C 47 68.895 68.895 68.704 0.191 25508 8863 1 19 . 1 1 47 47 THR H H 47 7.629 7.629 7.443 0.186 25508 8864 1 19 . 1 1 48 48 MET N N 48 120.050 120.050 121.419 -1.369 25508 8865 1 19 . 1 1 48 48 MET HA H 48 4.117 4.117 4.137 -0.020 25508 8866 1 19 . 1 1 48 48 MET C C 48 177.928 177.928 178.495 -0.567 25508 8867 1 19 . 1 1 48 48 MET CA C 48 59.041 59.041 58.667 0.374 25508 8868 1 19 . 1 1 48 48 MET CB C 48 31.985 31.985 31.992 -0.007 25508 8869 1 19 . 1 1 48 48 MET H H 48 7.077 7.077 7.511 -0.434 25508 8870 1 19 . 1 1 49 49 LEU N N 49 120.156 120.156 120.301 -0.145 25508 8871 1 19 . 1 1 49 49 LEU HA H 49 3.991 3.991 4.185 -0.194 25508 8872 1 19 . 1 1 49 49 LEU C C 49 180.284 180.284 179.588 0.696 25508 8873 1 19 . 1 1 49 49 LEU CA C 49 58.157 58.157 58.299 -0.142 25508 8874 1 19 . 1 1 49 49 LEU CB C 49 42.723 42.723 41.194 1.529 25508 8875 1 19 . 1 1 49 49 LEU H H 49 7.982 7.982 8.788 -0.806 25508 8876 1 19 . 1 1 50 50 ILE N N 50 119.987 119.987 119.983 0.004 25508 8877 1 19 . 1 1 50 50 ILE HA H 50 3.487 3.487 3.495 -0.008 25508 8878 1 19 . 1 1 50 50 ILE C C 50 178.074 178.074 177.759 0.315 25508 8879 1 19 . 1 1 50 50 ILE CA C 50 65.734 65.734 65.619 0.115 25508 8880 1 19 . 1 1 50 50 ILE CB C 50 38.622 38.622 37.546 1.076 25508 8881 1 19 . 1 1 50 50 ILE H H 50 8.275 8.275 7.924 0.351 25508 8882 1 19 . 1 1 51 51 ASN N N 51 117.331 117.331 116.932 0.399 25508 8883 1 19 . 1 1 51 51 ASN HA H 51 4.493 4.493 4.396 0.097 25508 8884 1 19 . 1 1 51 51 ASN C C 51 178.621 178.621 177.167 1.454 25508 8885 1 19 . 1 1 51 51 ASN CA C 51 55.787 55.787 56.392 -0.605 25508 8886 1 19 . 1 1 51 51 ASN CB C 51 38.273 38.273 38.773 -0.500 25508 8887 1 19 . 1 1 51 51 ASN H H 51 7.902 7.902 8.288 -0.386 25508 8888 1 19 . 1 1 52 52 GLU N N 52 120.128 120.128 120.524 -0.396 25508 8889 1 19 . 1 1 52 52 GLU HA H 52 4.006 4.006 4.060 -0.054 25508 8890 1 19 . 1 1 52 52 GLU C C 52 177.628 177.628 178.080 -0.452 25508 8891 1 19 . 1 1 52 52 GLU CA C 52 59.034 59.034 59.142 -0.108 25508 8892 1 19 . 1 1 52 52 GLU CB C 52 29.714 29.714 29.932 -0.218 25508 8893 1 19 . 1 1 52 52 GLU H H 52 8.958 8.958 8.231 0.727 25508 8894 1 19 . 1 1 53 53 ASN N N 53 112.872 112.872 116.272 -3.400 25508 8895 1 19 . 1 1 53 53 ASN HA H 53 4.666 4.666 4.547 0.119 25508 8896 1 19 . 1 1 53 53 ASN C C 53 173.022 173.022 175.298 -2.276 25508 8897 1 19 . 1 1 53 53 ASN CA C 53 53.416 53.416 54.019 -0.603 25508 8898 1 19 . 1 1 53 53 ASN CB C 53 38.938 38.938 38.772 0.166 25508 8899 1 19 . 1 1 53 53 ASN H H 53 7.535 7.535 8.299 -0.764 25508 8900 1 19 . 1 1 54 54 ARG N N 54 118.579 118.579 115.507 3.072 25508 8901 1 19 . 1 1 54 54 ARG HA H 54 3.975 3.975 4.033 -0.058 25508 8902 1 19 . 1 1 54 54 ARG C C 54 176.170 176.170 175.549 0.621 25508 8903 1 19 . 1 1 54 54 ARG CA C 54 56.615 56.615 56.562 0.053 25508 8904 1 19 . 1 1 54 54 ARG CB C 54 27.180 27.180 27.339 -0.159 25508 8905 1 19 . 1 1 54 54 ARG H H 54 7.696 7.696 7.386 0.310 25508 8906 1 19 . 1 1 55 55 LEU N N 55 116.705 116.705 117.886 -1.181 25508 8907 1 19 . 1 1 55 55 LEU HA H 55 4.097 4.097 4.196 -0.099 25508 8908 1 19 . 1 1 55 55 LEU C C 55 176.242 176.242 177.273 -1.031 25508 8909 1 19 . 1 1 55 55 LEU CA C 55 55.099 55.099 54.116 0.983 25508 8910 1 19 . 1 1 55 55 LEU CB C 55 42.694 42.694 42.777 -0.083 25508 8911 1 19 . 1 1 55 55 LEU H H 55 7.927 7.927 7.542 0.385 25508 8912 1 19 . 1 1 56 56 ASN N N 56 120.616 120.616 118.681 1.935 25508 8913 1 19 . 1 1 56 56 ASN HA H 56 4.708 4.708 4.947 -0.239 25508 8914 1 19 . 1 1 56 56 ASN C C 56 176.058 176.058 175.640 0.418 25508 8915 1 19 . 1 1 56 56 ASN CA C 56 51.440 51.440 51.690 -0.250 25508 8916 1 19 . 1 1 56 56 ASN CB C 56 38.554 38.554 38.250 0.304 25508 8917 1 19 . 1 1 56 56 ASN H H 56 8.530 8.530 8.512 0.018 25508 8918 1 19 . 1 1 57 57 MET N N 57 121.659 121.659 123.645 -1.986 25508 8919 1 19 . 1 1 57 57 MET HA H 57 4.341 4.341 4.046 0.295 25508 8920 1 19 . 1 1 57 57 MET C C 57 176.694 176.694 177.810 -1.116 25508 8921 1 19 . 1 1 57 57 MET CA C 57 55.717 55.717 59.089 -3.372 25508 8922 1 19 . 1 1 57 57 MET CB C 57 30.266 30.266 32.480 -2.214 25508 8923 1 19 . 1 1 57 57 MET H H 57 8.628 8.628 8.649 -0.021 25508 8924 1 19 . 1 1 58 58 ALA N N 58 120.515 120.515 121.136 -0.621 25508 8925 1 19 . 1 1 58 58 ALA HA H 58 4.267 4.267 4.096 0.171 25508 8926 1 19 . 1 1 58 58 ALA C C 58 177.625 177.625 177.918 -0.293 25508 8927 1 19 . 1 1 58 58 ALA CA C 58 52.643 52.643 53.719 -1.076 25508 8928 1 19 . 1 1 58 58 ALA CB C 58 18.667 18.667 18.731 -0.064 25508 8929 1 19 . 1 1 58 58 ALA H H 58 7.988 7.988 8.034 -0.046 25508 8930 1 19 . 1 1 59 59 ASP N N 59 121.926 121.926 116.482 5.444 25508 8931 1 19 . 1 1 59 59 ASP CA C 59 50.871 50.871 51.591 -0.720 25508 8932 1 19 . 1 1 59 59 ASP CB C 59 42.450 42.450 41.913 0.538 25508 8933 1 19 . 1 1 59 59 ASP H H 59 8.024 8.024 7.778 0.246 25508 8934 1 19 . 1 1 60 60 PRO HA H 60 4.186 4.186 4.364 -0.178 25508 8935 1 19 . 1 1 60 60 PRO C C 60 179.232 179.232 177.831 1.401 25508 8936 1 19 . 1 1 60 60 PRO CA C 60 65.347 65.347 64.292 1.055 25508 8937 1 19 . 1 1 60 60 PRO CB C 60 32.399 32.399 32.305 0.094 25508 8938 1 19 . 1 1 61 61 ARG N N 61 117.390 117.390 118.987 -1.597 25508 8939 1 19 . 1 1 61 61 ARG HA H 61 4.107 4.107 4.173 -0.066 25508 8940 1 19 . 1 1 61 61 ARG C C 61 179.817 179.817 178.117 1.700 25508 8941 1 19 . 1 1 61 61 ARG CA C 61 59.098 59.098 58.888 0.210 25508 8942 1 19 . 1 1 61 61 ARG CB C 61 29.670 29.670 28.955 0.715 25508 8943 1 19 . 1 1 61 61 ARG H H 61 8.597 8.597 8.614 -0.017 25508 8944 1 19 . 1 1 62 62 ALA N N 62 124.172 124.172 120.173 3.999 25508 8945 1 19 . 1 1 62 62 ALA HA H 62 4.201 4.201 4.319 -0.118 25508 8946 1 19 . 1 1 62 62 ALA C C 62 179.726 179.726 179.601 0.125 25508 8947 1 19 . 1 1 62 62 ALA CA C 62 55.011 55.011 54.265 0.746 25508 8948 1 19 . 1 1 62 62 ALA CB C 62 19.251 19.251 18.525 0.726 25508 8949 1 19 . 1 1 62 62 ALA H H 62 7.597 7.597 7.617 -0.020 25508 8950 1 19 . 1 1 63 63 ARG N N 63 116.483 116.483 118.044 -1.561 25508 8951 1 19 . 1 1 63 63 ARG HA H 63 3.985 3.985 4.280 -0.295 25508 8952 1 19 . 1 1 63 63 ARG C C 63 179.234 179.234 178.699 0.535 25508 8953 1 19 . 1 1 63 63 ARG CA C 63 60.029 60.029 57.674 2.355 25508 8954 1 19 . 1 1 63 63 ARG CB C 63 29.806 29.806 29.614 0.192 25508 8955 1 19 . 1 1 63 63 ARG H H 63 7.640 7.640 7.797 -0.157 25508 8956 1 19 . 1 1 64 64 GLN N N 64 119.143 119.143 119.208 -0.065 25508 8957 1 19 . 1 1 64 64 GLN HA H 64 4.095 4.095 4.208 -0.113 25508 8958 1 19 . 1 1 64 64 GLN C C 64 178.261 178.261 177.814 0.447 25508 8959 1 19 . 1 1 64 64 GLN CA C 64 59.183 59.183 58.433 0.750 25508 8960 1 19 . 1 1 64 64 GLN CB C 64 28.266 28.266 29.038 -0.772 25508 8961 1 19 . 1 1 64 64 GLN H H 64 8.114 8.114 8.312 -0.198 25508 8962 1 19 . 1 1 65 65 TYR N N 65 121.413 121.413 119.563 1.850 25508 8963 1 19 . 1 1 65 65 TYR HA H 65 4.321 4.321 4.329 -0.008 25508 8964 1 19 . 1 1 65 65 TYR C C 65 180.478 180.478 177.668 2.810 25508 8965 1 19 . 1 1 65 65 TYR CA C 65 61.407 61.407 61.041 0.366 25508 8966 1 19 . 1 1 65 65 TYR CB C 65 37.831 37.831 38.777 -0.946 25508 8967 1 19 . 1 1 65 65 TYR H H 65 7.929 7.929 7.667 0.262 25508 8968 1 19 . 1 1 66 66 LEU N N 66 119.499 119.499 120.164 -0.665 25508 8969 1 19 . 1 1 66 66 LEU HA H 66 3.870 3.870 3.991 -0.121 25508 8970 1 19 . 1 1 66 66 LEU C C 66 180.847 180.847 179.134 1.713 25508 8971 1 19 . 1 1 66 66 LEU CA C 66 57.959 57.959 57.479 0.480 25508 8972 1 19 . 1 1 66 66 LEU CB C 66 41.522 41.522 42.129 -0.607 25508 8973 1 19 . 1 1 66 66 LEU H H 66 8.328 8.328 7.698 0.630 25508 8974 1 19 . 1 1 67 67 MET N N 67 122.316 122.316 116.437 5.879 25508 8975 1 19 . 1 1 67 67 MET HA H 67 4.100 4.100 4.287 -0.187 25508 8976 1 19 . 1 1 67 67 MET C C 67 178.402 178.402 177.804 0.598 25508 8977 1 19 . 1 1 67 67 MET CA C 67 59.693 59.693 57.244 2.449 25508 8978 1 19 . 1 1 67 67 MET CB C 67 32.202 32.202 31.365 0.837 25508 8979 1 19 . 1 1 67 67 MET H H 67 8.480 8.480 7.829 0.651 25508 8980 1 19 . 1 1 68 68 LYS N N 68 120.460 120.460 117.500 2.960 25508 8981 1 19 . 1 1 68 68 LYS HA H 68 4.160 4.160 4.245 -0.085 25508 8982 1 19 . 1 1 68 68 LYS C C 68 179.963 179.963 179.082 0.881 25508 8983 1 19 . 1 1 68 68 LYS CA C 68 58.857 58.857 58.103 0.754 25508 8984 1 19 . 1 1 68 68 LYS CB C 68 31.276 31.276 31.909 -0.633 25508 8985 1 19 . 1 1 68 68 LYS H H 68 8.024 8.024 7.410 0.614 25508 8986 1 19 . 1 1 69 69 GLN N N 69 117.834 117.834 117.998 -0.164 25508 8987 1 19 . 1 1 69 69 GLN HA H 69 3.858 3.858 4.272 -0.414 25508 8988 1 19 . 1 1 69 69 GLN C C 69 178.013 178.013 177.440 0.573 25508 8989 1 19 . 1 1 69 69 GLN CA C 69 58.097 58.097 57.930 0.167 25508 8990 1 19 . 1 1 69 69 GLN CB C 69 27.601 27.601 28.702 -1.101 25508 8991 1 19 . 1 1 69 69 GLN H H 69 8.281 8.281 7.969 0.312 25508 8992 1 19 . 1 1 70 70 THR N N 70 119.066 119.066 115.241 3.825 25508 8993 1 19 . 1 1 70 70 THR HA H 70 2.666 2.666 4.205 -1.539 25508 8994 1 19 . 1 1 70 70 THR C C 70 175.189 175.189 175.519 -0.330 25508 8995 1 19 . 1 1 70 70 THR CA C 70 66.732 66.732 65.291 1.441 25508 8996 1 19 . 1 1 70 70 THR CB C 70 68.451 68.451 68.701 -0.250 25508 8997 1 19 . 1 1 70 70 THR H H 70 8.245 8.245 7.662 0.583 25508 8998 1 19 . 1 1 71 71 GLU N N 71 121.112 121.112 122.555 -1.443 25508 8999 1 19 . 1 1 71 71 GLU HA H 71 3.873 3.873 3.968 -0.095 25508 9000 1 19 . 1 1 71 71 GLU C C 71 177.903 177.903 178.758 -0.855 25508 9001 1 19 . 1 1 71 71 GLU CA C 71 60.325 60.325 59.811 0.514 25508 9002 1 19 . 1 1 71 71 GLU CB C 71 30.065 30.065 29.688 0.378 25508 9003 1 19 . 1 1 71 71 GLU H H 71 7.872 7.872 7.850 0.022 25508 9004 1 19 . 1 1 72 72 LYS N N 72 118.112 118.112 117.289 0.823 25508 9005 1 19 . 1 1 72 72 LYS HA H 72 3.853 3.853 4.179 -0.326 25508 9006 1 19 . 1 1 72 72 LYS C C 72 178.447 178.447 178.812 -0.365 25508 9007 1 19 . 1 1 72 72 LYS CA C 72 59.199 59.199 57.896 1.303 25508 9008 1 19 . 1 1 72 72 LYS CB C 72 32.705 32.705 31.526 1.179 25508 9009 1 19 . 1 1 72 72 LYS H H 72 7.932 7.932 7.667 0.265 25508 9010 1 19 . 1 1 73 73 TYR N N 73 119.703 119.703 119.985 -0.282 25508 9011 1 19 . 1 1 73 73 TYR HA H 73 3.704 3.704 4.190 -0.486 25508 9012 1 19 . 1 1 73 73 TYR C C 73 176.953 176.953 177.111 -0.158 25508 9013 1 19 . 1 1 73 73 TYR CA C 73 61.540 61.540 61.197 0.343 25508 9014 1 19 . 1 1 73 73 TYR CB C 73 38.266 38.266 38.236 0.030 25508 9015 1 19 . 1 1 73 73 TYR H H 73 7.800 7.800 7.797 0.003 25508 9016 1 19 . 1 1 74 74 PHE N N 74 111.749 111.749 118.000 -6.251 25508 9017 1 19 . 1 1 74 74 PHE HA H 74 3.886 3.886 4.236 -0.350 25508 9018 1 19 . 1 1 74 74 PHE C C 74 176.300 176.300 177.075 -0.775 25508 9019 1 19 . 1 1 74 74 PHE CA C 74 61.784 61.784 58.474 3.310 25508 9020 1 19 . 1 1 74 74 PHE CB C 74 39.690 39.690 39.768 -0.078 25508 9021 1 19 . 1 1 74 74 PHE H H 74 7.139 7.139 7.420 -0.281 25508 9022 1 19 . 1 1 75 75 PHE N N 75 114.845 114.845 116.755 -1.910 25508 9023 1 19 . 1 1 75 75 PHE HA H 75 5.009 5.009 3.926 1.083 25508 9024 1 19 . 1 1 75 75 PHE C C 75 176.448 176.448 176.833 -0.385 25508 9025 1 19 . 1 1 75 75 PHE CA C 75 56.575 56.575 57.602 -1.027 25508 9026 1 19 . 1 1 75 75 PHE CB C 75 40.353 40.353 38.258 2.095 25508 9027 1 19 . 1 1 75 75 PHE H H 75 8.275 8.275 7.162 1.113 25508 9028 1 19 . 1 1 76 76 GLY N N 76 109.977 109.977 106.184 3.793 25508 9029 1 19 . 1 1 76 76 GLY C C 76 173.602 173.602 175.702 -2.100 25508 9030 1 19 . 1 1 76 76 GLY CA C 76 45.375 45.375 45.927 -0.552 25508 9031 1 19 . 1 1 76 76 GLY H H 76 7.836 7.836 7.810 0.026 25508 9032 1 19 . 1 1 77 77 GLU N N 77 120.068 120.068 118.599 1.469 25508 9033 1 19 . 1 1 77 77 GLU HA H 77 4.259 4.259 4.117 0.142 25508 9034 1 19 . 1 1 77 77 GLU C C 77 176.925 176.925 176.867 0.058 25508 9035 1 19 . 1 1 77 77 GLU CA C 77 56.647 56.647 57.748 -1.101 25508 9036 1 19 . 1 1 77 77 GLU CB C 77 30.694 30.694 29.483 1.211 25508 9037 1 19 . 1 1 77 77 GLU H H 77 8.445 8.445 8.324 0.121 25508 9038 1 19 . 1 1 78 78 GLY N N 78 110.135 110.135 106.285 3.850 25508 9039 1 19 . 1 1 78 78 GLY C C 78 174.241 174.241 172.862 1.379 25508 9040 1 19 . 1 1 78 78 GLY CA C 78 45.368 45.368 44.304 1.064 25508 9041 1 19 . 1 1 78 78 GLY H H 78 8.457 8.457 7.987 0.470 25508 9042 1 19 . 1 1 79 79 ALA N N 79 123.773 123.773 122.188 1.585 25508 9043 1 19 . 1 1 79 79 ALA HA H 79 4.208 4.208 4.645 -0.437 25508 9044 1 19 . 1 1 79 79 ALA C C 79 177.657 177.657 174.891 2.766 25508 9045 1 19 . 1 1 79 79 ALA CA C 79 52.782 52.782 51.692 1.090 25508 9046 1 19 . 1 1 79 79 ALA CB C 79 19.145 19.145 20.855 -1.710 25508 9047 1 19 . 1 1 79 79 ALA H H 79 8.195 8.195 7.506 0.689 25508 9048 1 19 . 1 1 80 80 ASP N N 80 118.833 118.833 120.180 -1.347 25508 9049 1 19 . 1 1 80 80 ASP HA H 80 4.473 4.473 4.557 -0.084 25508 9050 1 19 . 1 1 80 80 ASP C C 80 176.374 176.374 175.682 0.692 25508 9051 1 19 . 1 1 80 80 ASP CA C 80 54.383 54.383 53.865 0.518 25508 9052 1 19 . 1 1 80 80 ASP CB C 80 40.940 40.940 41.239 -0.299 25508 9053 1 19 . 1 1 80 80 ASP H H 80 8.347 8.347 8.336 0.011 25508 9054 1 19 . 1 1 81 81 GLN N N 81 120.376 120.376 121.463 -1.087 25508 9055 1 19 . 1 1 81 81 GLN HA H 81 4.225 4.225 4.327 -0.102 25508 9056 1 19 . 1 1 81 81 GLN C C 81 176.029 176.029 175.288 0.741 25508 9057 1 19 . 1 1 81 81 GLN CA C 81 55.969 55.969 56.171 -0.202 25508 9058 1 19 . 1 1 81 81 GLN CB C 81 29.242 29.242 29.608 -0.366 25508 9059 1 19 . 1 1 81 81 GLN H H 81 8.188 8.188 8.478 -0.290 25508 9060 1 19 . 1 1 82 82 ALA N N 82 124.734 124.734 123.168 1.566 25508 9061 1 19 . 1 1 82 82 ALA HA H 82 4.271 4.271 4.472 -0.201 25508 9062 1 19 . 1 1 82 82 ALA C C 82 178.011 178.011 175.630 2.381 25508 9063 1 19 . 1 1 82 82 ALA CA C 82 52.680 52.680 51.983 0.697 25508 9064 1 19 . 1 1 82 82 ALA CB C 82 19.023 19.023 19.766 -0.743 25508 9065 1 19 . 1 1 82 82 ALA H H 82 8.307 8.307 8.340 -0.033 25508 9066 1 19 . 1 1 83 83 SER N N 83 114.999 114.999 118.220 -3.221 25508 9067 1 19 . 1 1 83 83 SER HA H 83 4.368 4.368 4.703 -0.335 25508 9068 1 19 . 1 1 83 83 SER C C 83 175.141 175.141 173.366 1.775 25508 9069 1 19 . 1 1 83 83 SER CA C 83 58.843 58.843 58.319 0.524 25508 9070 1 19 . 1 1 83 83 SER CB C 83 63.849 63.849 64.037 -0.188 25508 9071 1 19 . 1 1 83 83 SER H H 83 8.269 8.269 8.511 -0.242 25508 9072 1 19 . 1 1 84 84 GLY N N 84 110.722 110.722 111.566 -0.844 25508 9073 1 19 . 1 1 84 84 GLY C C 84 173.457 173.457 172.757 0.700 25508 9074 1 19 . 1 1 84 84 GLY CA C 84 45.168 45.168 45.556 -0.388 25508 9075 1 19 . 1 1 84 84 GLY H H 84 8.324 8.324 8.336 -0.012 25508 9076 1 19 . 1 1 85 85 TYR N N 85 121.054 121.054 120.174 0.880 25508 9077 1 19 . 1 1 85 85 TYR HA H 85 4.395 4.395 4.550 -0.155 25508 9078 1 19 . 1 1 85 85 TYR C C 85 174.866 174.866 175.415 -0.549 25508 9079 1 19 . 1 1 85 85 TYR CA C 85 58.433 58.433 58.368 0.065 25508 9080 1 19 . 1 1 85 85 TYR CB C 85 38.856 38.856 39.266 -0.410 25508 9081 1 19 . 1 1 85 85 TYR H H 85 7.982 7.982 8.139 -0.157 25508 9082 1 19 . 1 1 86 86 VAL N N 86 127.973 127.973 123.243 4.730 25508 9083 1 19 . 1 1 86 86 VAL CA C 86 58.815 58.815 60.007 -1.192 25508 9084 1 19 . 1 1 86 86 VAL CB C 86 33.360 33.360 33.743 -0.383 25508 9085 1 19 . 1 1 86 86 VAL H H 86 7.734 7.734 7.479 0.255 25508 9086 1 19 . 1 1 88 88 PRO HA H 88 4.320 4.320 4.337 -0.017 25508 9087 1 19 . 1 1 88 88 PRO C C 88 176.654 176.654 175.756 0.898 25508 9088 1 19 . 1 1 88 88 PRO CA C 88 62.735 62.735 62.740 -0.005 25508 9089 1 19 . 1 1 88 88 PRO CB C 88 32.007 32.007 32.027 -0.020 25508 9090 1 19 . 1 1 89 89 ALA N N 89 124.497 124.497 121.245 3.252 25508 9091 1 19 . 1 1 89 89 ALA HA H 89 4.213 4.213 4.430 -0.217 25508 9092 1 19 . 1 1 89 89 ALA C C 89 177.739 177.739 177.105 0.634 25508 9093 1 19 . 1 1 89 89 ALA CA C 89 52.564 52.564 51.675 0.889 25508 9094 1 19 . 1 1 89 89 ALA CB C 89 19.103 19.103 20.341 -1.238 25508 9095 1 19 . 1 1 89 89 ALA H H 89 8.332 8.332 7.868 0.464 25508 9096 1 19 . 1 1 90 90 GLN N N 90 119.712 119.712 121.825 -2.113 25508 9097 1 19 . 1 1 90 90 GLN HA H 90 4.301 4.301 4.208 0.093 25508 9098 1 19 . 1 1 90 90 GLN C C 90 175.302 175.302 176.463 -1.161 25508 9099 1 19 . 1 1 90 90 GLN CA C 90 55.717 55.717 56.626 -0.909 25508 9100 1 19 . 1 1 90 90 GLN CB C 90 29.764 29.764 29.070 0.694 25508 9101 1 19 . 1 1 90 90 GLN H H 90 8.338 8.338 8.636 -0.298 25508 9102 1 20 . 1 1 2 2 ALA N N 2 125.581 125.581 129.237 -3.656 25508 9103 1 20 . 1 1 2 2 ALA HA H 2 4.204 4.204 4.267 -0.063 25508 9104 1 20 . 1 1 2 2 ALA C C 2 176.764 176.764 177.462 -0.698 25508 9105 1 20 . 1 1 2 2 ALA CA C 2 52.280 52.280 53.485 -1.205 25508 9106 1 20 . 1 1 2 2 ALA CB C 2 19.494 19.494 19.486 0.008 25508 9107 1 20 . 1 1 2 2 ALA H H 2 8.203 8.203 8.582 -0.379 25508 9108 1 20 . 1 1 3 3 ARG N N 3 123.058 123.058 115.712 7.346 25508 9109 1 20 . 1 1 3 3 ARG HA H 3 4.247 4.247 4.501 -0.254 25508 9110 1 20 . 1 1 3 3 ARG C C 3 174.914 174.914 174.137 0.777 25508 9111 1 20 . 1 1 3 3 ARG CA C 3 55.678 55.678 55.467 0.211 25508 9112 1 20 . 1 1 3 3 ARG CB C 3 31.276 31.276 33.870 -2.595 25508 9113 1 20 . 1 1 3 3 ARG H H 3 8.649 8.649 7.822 0.827 25508 9114 1 20 . 1 1 4 4 MET N N 4 125.010 125.010 119.590 5.420 25508 9115 1 20 . 1 1 4 4 MET HA H 4 4.966 4.966 4.855 0.111 25508 9116 1 20 . 1 1 4 4 MET C C 4 176.144 176.144 175.099 1.045 25508 9117 1 20 . 1 1 4 4 MET CA C 4 53.311 53.311 54.929 -1.618 25508 9118 1 20 . 1 1 4 4 MET CB C 4 32.120 32.120 33.145 -1.024 25508 9119 1 20 . 1 1 4 4 MET H H 4 8.427 8.427 8.597 -0.170 25508 9120 1 20 . 1 1 5 5 ILE N N 5 117.850 117.850 117.816 0.034 25508 9121 1 20 . 1 1 5 5 ILE HA H 5 4.623 4.623 4.603 0.020 25508 9122 1 20 . 1 1 5 5 ILE C C 5 174.207 174.207 173.280 0.927 25508 9123 1 20 . 1 1 5 5 ILE CA C 5 58.353 58.353 58.812 -0.459 25508 9124 1 20 . 1 1 5 5 ILE CB C 5 42.910 42.910 41.750 1.160 25508 9125 1 20 . 1 1 5 5 ILE H H 5 8.860 8.860 8.803 0.057 25508 9126 1 20 . 1 1 6 6 HIS N N 6 120.378 120.378 118.130 2.248 25508 9127 1 20 . 1 1 6 6 HIS HA H 6 4.301 4.301 5.023 -0.722 25508 9128 1 20 . 1 1 6 6 HIS C C 6 173.087 173.087 174.964 -1.877 25508 9129 1 20 . 1 1 6 6 HIS CA C 6 56.131 56.131 53.656 2.475 25508 9130 1 20 . 1 1 6 6 HIS CB C 6 28.508 28.508 28.008 0.500 25508 9131 1 20 . 1 1 6 6 HIS H H 6 8.506 8.506 8.106 0.400 25508 9132 1 20 . 1 1 7 7 CYS N N 7 131.021 131.021 124.501 6.520 25508 9133 1 20 . 1 1 7 7 CYS HA H 7 4.154 4.154 3.878 0.276 25508 9134 1 20 . 1 1 7 7 CYS C C 7 177.621 177.621 175.312 2.309 25508 9135 1 20 . 1 1 7 7 CYS CA C 7 61.346 61.346 60.480 0.866 25508 9136 1 20 . 1 1 7 7 CYS CB C 7 31.004 31.004 29.023 1.981 25508 9137 1 20 . 1 1 7 7 CYS H H 7 7.873 7.873 8.231 -0.358 25508 9138 1 20 . 1 1 8 8 ALA N N 8 133.325 133.325 130.612 2.713 25508 9139 1 20 . 1 1 8 8 ALA HA H 8 4.229 4.229 3.943 0.286 25508 9140 1 20 . 1 1 8 8 ALA C C 8 178.608 178.608 176.738 1.870 25508 9141 1 20 . 1 1 8 8 ALA CA C 8 54.478 54.478 52.882 1.596 25508 9142 1 20 . 1 1 8 8 ALA CB C 8 19.264 19.264 17.622 1.642 25508 9143 1 20 . 1 1 8 8 ALA H H 8 9.543 9.543 8.008 1.535 25508 9144 1 20 . 1 1 9 9 LYS N N 9 122.128 122.128 116.950 5.178 25508 9145 1 20 . 1 1 9 9 LYS CA C 9 56.353 56.353 57.277 -0.924 25508 9146 1 20 . 1 1 9 9 LYS CB C 9 33.619 33.619 32.989 0.630 25508 9147 1 20 . 1 1 9 9 LYS H H 9 9.739 9.739 7.475 2.264 25508 9148 1 20 . 1 1 10 10 LEU HA H 10 4.194 4.194 4.543 -0.349 25508 9149 1 20 . 1 1 10 10 LEU C C 10 178.870 178.870 176.966 1.904 25508 9150 1 20 . 1 1 10 10 LEU CA C 10 55.934 55.934 55.233 0.701 25508 9151 1 20 . 1 1 10 10 LEU CB C 10 42.693 42.693 44.010 -1.317 25508 9152 1 20 . 1 1 11 11 GLY N N 11 107.385 107.385 104.715 2.670 25508 9153 1 20 . 1 1 11 11 GLY C C 11 173.268 173.268 173.810 -0.542 25508 9154 1 20 . 1 1 11 11 GLY CA C 11 46.756 46.756 44.945 1.811 25508 9155 1 20 . 1 1 11 11 GLY H H 11 8.258 8.258 7.918 0.340 25508 9156 1 20 . 1 1 12 12 LYS N N 12 112.456 112.456 119.024 -6.568 25508 9157 1 20 . 1 1 12 12 LYS HA H 12 4.547 4.547 4.480 0.067 25508 9158 1 20 . 1 1 12 12 LYS C C 12 173.822 173.822 174.678 -0.856 25508 9159 1 20 . 1 1 12 12 LYS CA C 12 53.523 53.523 53.630 -0.107 25508 9160 1 20 . 1 1 12 12 LYS CB C 12 35.156 35.156 34.553 0.603 25508 9161 1 20 . 1 1 12 12 LYS H H 12 6.772 6.772 7.578 -0.806 25508 9162 1 20 . 1 1 13 13 GLU N N 13 121.058 121.058 119.707 1.351 25508 9163 1 20 . 1 1 13 13 GLU HA H 13 4.874 4.874 4.615 0.259 25508 9164 1 20 . 1 1 13 13 GLU C C 13 176.290 176.290 175.667 0.623 25508 9165 1 20 . 1 1 13 13 GLU CA C 13 56.291 56.291 56.134 0.157 25508 9166 1 20 . 1 1 13 13 GLU CB C 13 29.827 29.827 30.429 -0.602 25508 9167 1 20 . 1 1 13 13 GLU H H 13 8.402 8.402 8.503 -0.101 25508 9168 1 20 . 1 1 14 14 ALA N N 14 127.978 127.978 127.569 0.409 25508 9169 1 20 . 1 1 14 14 ALA HA H 14 4.514 4.514 4.687 -0.173 25508 9170 1 20 . 1 1 14 14 ALA C C 14 175.156 175.156 175.564 -0.408 25508 9171 1 20 . 1 1 14 14 ALA CA C 14 51.437 51.437 50.061 1.376 25508 9172 1 20 . 1 1 14 14 ALA CB C 14 23.586 23.586 22.500 1.086 25508 9173 1 20 . 1 1 14 14 ALA H H 14 9.330 9.330 8.850 0.480 25508 9174 1 20 . 1 1 15 15 GLU N N 15 120.272 120.272 119.697 0.575 25508 9175 1 20 . 1 1 15 15 GLU HA H 15 4.573 4.573 4.675 -0.102 25508 9176 1 20 . 1 1 15 15 GLU C C 15 178.292 178.292 177.365 0.927 25508 9177 1 20 . 1 1 15 15 GLU CA C 15 57.645 57.645 55.836 1.809 25508 9178 1 20 . 1 1 15 15 GLU CB C 15 30.016 30.016 29.925 0.090 25508 9179 1 20 . 1 1 15 15 GLU H H 15 8.560 8.560 8.517 0.043 25508 9180 1 20 . 1 1 16 16 GLY N N 16 113.246 113.246 110.630 2.616 25508 9181 1 20 . 1 1 16 16 GLY C C 16 172.877 172.877 174.331 -1.454 25508 9182 1 20 . 1 1 16 16 GLY CA C 16 44.636 44.636 44.424 0.212 25508 9183 1 20 . 1 1 16 16 GLY H H 16 9.236 9.236 8.109 1.127 25508 9184 1 20 . 1 1 17 17 LEU N N 17 120.058 120.058 121.355 -1.297 25508 9185 1 20 . 1 1 17 17 LEU HA H 17 3.960 3.960 4.178 -0.218 25508 9186 1 20 . 1 1 17 17 LEU C C 17 177.457 177.457 176.572 0.885 25508 9187 1 20 . 1 1 17 17 LEU CA C 17 55.375 55.375 55.124 0.251 25508 9188 1 20 . 1 1 17 17 LEU CB C 17 43.355 43.355 42.508 0.847 25508 9189 1 20 . 1 1 17 17 LEU H H 17 9.482 9.482 7.832 1.650 25508 9190 1 20 . 1 1 18 18 ASP N N 18 118.600 118.600 118.504 0.096 25508 9191 1 20 . 1 1 18 18 ASP HA H 18 4.531 4.531 4.809 -0.278 25508 9192 1 20 . 1 1 18 18 ASP C C 18 175.929 175.929 174.987 0.942 25508 9193 1 20 . 1 1 18 18 ASP CA C 18 56.544 56.544 53.389 3.155 25508 9194 1 20 . 1 1 18 18 ASP CB C 18 41.655 41.655 41.741 -0.086 25508 9195 1 20 . 1 1 18 18 ASP H H 18 8.848 8.848 8.214 0.634 25508 9196 1 20 . 1 1 19 19 PHE N N 19 113.195 113.195 118.494 -5.299 25508 9197 1 20 . 1 1 19 19 PHE CA C 19 55.070 55.070 56.111 -1.042 25508 9198 1 20 . 1 1 19 19 PHE CB C 19 38.588 38.588 40.562 -1.974 25508 9199 1 20 . 1 1 19 19 PHE H H 19 7.108 7.108 7.568 -0.460 25508 9200 1 20 . 1 1 21 21 PRO HA H 21 4.357 4.357 4.499 -0.142 25508 9201 1 20 . 1 1 21 21 PRO C C 21 174.627 174.627 175.919 -1.292 25508 9202 1 20 . 1 1 21 21 PRO CA C 21 63.914 63.914 64.400 -0.486 25508 9203 1 20 . 1 1 21 21 PRO CB C 21 31.431 31.431 32.968 -1.537 25508 9204 1 20 . 1 1 22 22 LEU N N 22 117.643 117.643 116.484 1.159 25508 9205 1 20 . 1 1 22 22 LEU CA C 22 51.462 51.462 51.340 0.122 25508 9206 1 20 . 1 1 22 22 LEU CB C 22 46.011 46.011 45.136 0.875 25508 9207 1 20 . 1 1 22 22 LEU H H 22 6.788 6.788 7.368 -0.580 25508 9208 1 20 . 1 1 24 24 GLY N N 24 105.443 105.443 112.030 -6.587 25508 9209 1 20 . 1 1 24 24 GLY C C 24 175.297 175.297 174.607 0.690 25508 9210 1 20 . 1 1 24 24 GLY CA C 24 45.381 45.381 45.601 -0.220 25508 9211 1 20 . 1 1 24 24 GLY H H 24 8.367 8.367 7.671 0.696 25508 9212 1 20 . 1 1 25 25 GLU N N 25 122.031 122.031 119.521 2.510 25508 9213 1 20 . 1 1 25 25 GLU HA H 25 3.887 3.887 4.413 -0.526 25508 9214 1 20 . 1 1 25 25 GLU C C 25 179.015 179.015 177.638 1.377 25508 9215 1 20 . 1 1 25 25 GLU CA C 25 59.283 59.283 58.046 1.237 25508 9216 1 20 . 1 1 25 25 GLU CB C 25 29.176 29.176 29.596 -0.420 25508 9217 1 20 . 1 1 25 25 GLU H H 25 8.737 8.737 8.732 0.005 25508 9218 1 20 . 1 1 26 26 LEU N N 26 120.531 120.531 120.747 -0.216 25508 9219 1 20 . 1 1 26 26 LEU HA H 26 4.104 4.104 4.176 -0.072 25508 9220 1 20 . 1 1 26 26 LEU C C 26 178.836 178.836 178.852 -0.016 25508 9221 1 20 . 1 1 26 26 LEU CA C 26 57.981 57.981 57.076 0.905 25508 9222 1 20 . 1 1 26 26 LEU CB C 26 40.939 40.939 41.540 -0.601 25508 9223 1 20 . 1 1 26 26 LEU H H 26 8.852 8.852 7.875 0.977 25508 9224 1 20 . 1 1 27 27 GLY N N 27 102.599 102.599 107.592 -4.993 25508 9225 1 20 . 1 1 27 27 GLY C C 27 175.874 175.874 175.445 0.429 25508 9226 1 20 . 1 1 27 27 GLY CA C 27 48.024 48.024 47.159 0.865 25508 9227 1 20 . 1 1 27 27 GLY H H 27 6.894 6.894 8.648 -1.754 25508 9228 1 20 . 1 1 28 28 LYS N N 28 122.738 122.738 120.464 2.274 25508 9229 1 20 . 1 1 28 28 LYS HA H 28 3.914 3.914 4.218 -0.304 25508 9230 1 20 . 1 1 28 28 LYS C C 28 177.965 177.965 178.148 -0.183 25508 9231 1 20 . 1 1 28 28 LYS CA C 28 59.844 59.844 58.753 1.091 25508 9232 1 20 . 1 1 28 28 LYS CB C 28 32.169 32.169 32.438 -0.269 25508 9233 1 20 . 1 1 28 28 LYS H H 28 7.449 7.449 7.606 -0.157 25508 9234 1 20 . 1 1 29 29 ARG N N 29 119.988 119.988 115.098 4.890 25508 9235 1 20 . 1 1 29 29 ARG HA H 29 3.998 3.998 4.415 -0.417 25508 9236 1 20 . 1 1 29 29 ARG CA C 29 59.876 59.876 56.719 3.157 25508 9237 1 20 . 1 1 29 29 ARG CB C 29 30.829 30.829 30.533 0.296 25508 9238 1 20 . 1 1 29 29 ARG H H 29 8.194 8.194 7.688 0.506 25508 9239 1 20 . 1 1 30 30 LEU N N 30 119.547 119.547 120.119 -0.572 25508 9240 1 20 . 1 1 30 30 LEU HA H 30 3.849 3.849 4.225 -0.376 25508 9241 1 20 . 1 1 30 30 LEU C C 30 177.351 177.351 179.467 -2.116 25508 9242 1 20 . 1 1 30 30 LEU CA C 30 58.068 58.068 57.191 0.877 25508 9243 1 20 . 1 1 30 30 LEU CB C 30 41.547 41.547 41.779 -0.232 25508 9244 1 20 . 1 1 30 30 LEU H H 30 8.333 8.333 7.757 0.576 25508 9245 1 20 . 1 1 31 31 TYR N N 31 118.033 118.033 118.039 -0.006 25508 9246 1 20 . 1 1 31 31 TYR HA H 31 3.895 3.895 4.183 -0.288 25508 9247 1 20 . 1 1 31 31 TYR C C 31 178.434 178.434 176.499 1.935 25508 9248 1 20 . 1 1 31 31 TYR CA C 31 61.391 61.391 60.550 0.841 25508 9249 1 20 . 1 1 31 31 TYR CB C 31 39.083 39.083 37.550 1.533 25508 9250 1 20 . 1 1 31 31 TYR H H 31 8.106 8.106 7.799 0.307 25508 9251 1 20 . 1 1 32 32 GLU N N 32 117.126 117.126 115.129 1.997 25508 9252 1 20 . 1 1 32 32 GLU HA H 32 3.926 3.926 3.874 0.052 25508 9253 1 20 . 1 1 32 32 GLU C C 32 178.370 178.370 176.091 2.279 25508 9254 1 20 . 1 1 32 32 GLU CA C 32 58.603 58.603 56.868 1.734 25508 9255 1 20 . 1 1 32 32 GLU CB C 32 30.580 30.580 29.359 1.221 25508 9256 1 20 . 1 1 32 32 GLU H H 32 8.260 8.260 7.920 0.340 25508 9257 1 20 . 1 1 33 33 SER N N 33 108.887 108.887 112.362 -3.475 25508 9258 1 20 . 1 1 33 33 SER HA H 33 4.910 4.910 4.425 0.485 25508 9259 1 20 . 1 1 33 33 SER C C 33 171.776 171.776 173.390 -1.614 25508 9260 1 20 . 1 1 33 33 SER CA C 33 60.399 60.399 58.050 2.349 25508 9261 1 20 . 1 1 33 33 SER CB C 33 67.057 67.057 65.518 1.539 25508 9262 1 20 . 1 1 33 33 SER H H 33 7.553 7.553 7.951 -0.398 25508 9263 1 20 . 1 1 34 34 VAL N N 34 120.097 120.097 121.100 -1.003 25508 9264 1 20 . 1 1 34 34 VAL CA C 34 61.287 61.287 61.479 -0.192 25508 9265 1 20 . 1 1 34 34 VAL CB C 34 34.048 34.048 34.073 -0.025 25508 9266 1 20 . 1 1 34 34 VAL H H 34 8.396 8.396 7.792 0.604 25508 9267 1 20 . 1 1 35 35 SER HA H 35 4.107 4.107 5.125 -1.018 25508 9268 1 20 . 1 1 35 35 SER C C 35 174.321 174.321 174.335 -0.014 25508 9269 1 20 . 1 1 35 35 SER CA C 35 58.771 58.771 56.505 2.266 25508 9270 1 20 . 1 1 35 35 SER CB C 35 66.899 66.899 65.864 1.035 25508 9271 1 20 . 1 1 36 36 LYS N N 36 119.115 119.115 121.657 -2.542 25508 9272 1 20 . 1 1 36 36 LYS HA H 36 4.016 4.016 4.013 0.003 25508 9273 1 20 . 1 1 36 36 LYS C C 36 179.407 179.407 177.646 1.761 25508 9274 1 20 . 1 1 36 36 LYS CA C 36 60.728 60.728 59.313 1.415 25508 9275 1 20 . 1 1 36 36 LYS CB C 36 32.746 32.746 32.532 0.214 25508 9276 1 20 . 1 1 36 36 LYS H H 36 8.562 8.562 8.496 0.066 25508 9277 1 20 . 1 1 37 37 GLN N N 37 118.142 118.142 117.800 0.342 25508 9278 1 20 . 1 1 37 37 GLN HA H 37 3.970 3.970 4.308 -0.338 25508 9279 1 20 . 1 1 37 37 GLN C C 37 177.580 177.580 178.009 -0.429 25508 9280 1 20 . 1 1 37 37 GLN CA C 37 59.134 59.134 58.248 0.886 25508 9281 1 20 . 1 1 37 37 GLN CB C 37 28.534 28.534 28.526 0.008 25508 9282 1 20 . 1 1 37 37 GLN H H 37 8.958 8.958 7.997 0.961 25508 9283 1 20 . 1 1 38 38 ALA N N 38 121.173 121.173 123.151 -1.978 25508 9284 1 20 . 1 1 38 38 ALA HA H 38 4.409 4.409 4.203 0.206 25508 9285 1 20 . 1 1 38 38 ALA C C 38 181.081 181.081 179.035 2.046 25508 9286 1 20 . 1 1 38 38 ALA CA C 38 55.065 55.065 54.271 0.794 25508 9287 1 20 . 1 1 38 38 ALA CB C 38 19.574 19.574 18.005 1.569 25508 9288 1 20 . 1 1 38 38 ALA H H 38 8.233 8.233 8.058 0.175 25508 9289 1 20 . 1 1 39 39 TRP N N 39 121.046 121.046 120.021 1.025 25508 9290 1 20 . 1 1 39 39 TRP HA H 39 4.898 4.898 4.320 0.578 25508 9291 1 20 . 1 1 39 39 TRP C C 39 176.886 176.886 177.675 -0.789 25508 9292 1 20 . 1 1 39 39 TRP CA C 39 60.403 60.403 60.619 -0.216 25508 9293 1 20 . 1 1 39 39 TRP CB C 39 30.640 30.640 29.534 1.106 25508 9294 1 20 . 1 1 39 39 TRP H H 39 8.891 8.891 8.011 0.880 25508 9295 1 20 . 1 1 40 40 GLN N N 40 117.010 117.010 115.902 1.108 25508 9296 1 20 . 1 1 40 40 GLN HA H 40 3.715 3.715 3.954 -0.239 25508 9297 1 20 . 1 1 40 40 GLN C C 40 179.512 179.512 177.749 1.763 25508 9298 1 20 . 1 1 40 40 GLN CA C 40 59.159 59.159 58.716 0.443 25508 9299 1 20 . 1 1 40 40 GLN CB C 40 27.821 27.821 28.552 -0.731 25508 9300 1 20 . 1 1 40 40 GLN H H 40 8.541 8.541 7.673 0.868 25508 9301 1 20 . 1 1 41 41 ASP N N 41 120.036 120.036 120.993 -0.957 25508 9302 1 20 . 1 1 41 41 ASP HA H 41 4.396 4.396 4.340 0.056 25508 9303 1 20 . 1 1 41 41 ASP C C 41 179.637 179.637 177.743 1.894 25508 9304 1 20 . 1 1 41 41 ASP CA C 41 57.571 57.571 57.270 0.301 25508 9305 1 20 . 1 1 41 41 ASP CB C 41 40.205 40.205 40.788 -0.583 25508 9306 1 20 . 1 1 41 41 ASP H H 41 8.119 8.119 7.873 0.246 25508 9307 1 20 . 1 1 42 42 TRP N N 42 123.295 123.295 119.410 3.885 25508 9308 1 20 . 1 1 42 42 TRP HA H 42 3.992 3.992 4.348 -0.356 25508 9309 1 20 . 1 1 42 42 TRP C C 42 176.559 176.559 177.305 -0.746 25508 9310 1 20 . 1 1 42 42 TRP CA C 42 58.825 58.825 59.355 -0.530 25508 9311 1 20 . 1 1 42 42 TRP CB C 42 30.101 30.101 29.933 0.168 25508 9312 1 20 . 1 1 42 42 TRP H H 42 8.015 8.015 8.238 -0.223 25508 9313 1 20 . 1 1 43 43 LEU N N 43 118.444 118.444 117.664 0.780 25508 9314 1 20 . 1 1 43 43 LEU HA H 43 3.073 3.073 3.967 -0.894 25508 9315 1 20 . 1 1 43 43 LEU C C 43 180.127 180.127 179.011 1.116 25508 9316 1 20 . 1 1 43 43 LEU CA C 43 57.710 57.710 55.886 1.824 25508 9317 1 20 . 1 1 43 43 LEU CB C 43 40.675 40.675 41.381 -0.706 25508 9318 1 20 . 1 1 43 43 LEU H H 43 8.027 8.027 7.484 0.543 25508 9319 1 20 . 1 1 44 44 LYS N N 44 117.577 117.577 120.764 -3.187 25508 9320 1 20 . 1 1 44 44 LYS HA H 44 3.871 3.871 3.909 -0.038 25508 9321 1 20 . 1 1 44 44 LYS C C 44 179.010 179.010 178.888 0.122 25508 9322 1 20 . 1 1 44 44 LYS CA C 44 59.496 59.496 59.419 0.077 25508 9323 1 20 . 1 1 44 44 LYS CB C 44 32.301 32.301 32.023 0.278 25508 9324 1 20 . 1 1 44 44 LYS H H 44 7.065 7.065 7.508 -0.443 25508 9325 1 20 . 1 1 45 45 GLN N N 45 120.755 120.755 117.793 2.962 25508 9326 1 20 . 1 1 45 45 GLN HA H 45 3.834 3.834 3.953 -0.119 25508 9327 1 20 . 1 1 45 45 GLN C C 45 177.807 177.807 178.026 -0.219 25508 9328 1 20 . 1 1 45 45 GLN CA C 45 57.760 57.760 58.799 -1.039 25508 9329 1 20 . 1 1 45 45 GLN CB C 45 27.623 27.623 27.486 0.137 25508 9330 1 20 . 1 1 45 45 GLN H H 45 7.033 7.033 7.670 -0.637 25508 9331 1 20 . 1 1 46 46 GLN N N 46 120.768 120.768 119.629 1.139 25508 9332 1 20 . 1 1 46 46 GLN HA H 46 3.065 3.065 3.644 -0.579 25508 9333 1 20 . 1 1 46 46 GLN C C 46 177.167 177.167 178.234 -1.067 25508 9334 1 20 . 1 1 46 46 GLN CA C 46 59.136 59.136 59.117 0.019 25508 9335 1 20 . 1 1 46 46 GLN CB C 46 28.416 28.416 28.074 0.342 25508 9336 1 20 . 1 1 46 46 GLN H H 46 8.346 8.346 7.482 0.864 25508 9337 1 20 . 1 1 47 47 THR N N 47 114.925 114.925 114.960 -0.035 25508 9338 1 20 . 1 1 47 47 THR HA H 47 3.690 3.690 4.084 -0.394 25508 9339 1 20 . 1 1 47 47 THR C C 47 175.615 175.615 176.103 -0.488 25508 9340 1 20 . 1 1 47 47 THR CA C 47 66.804 66.804 66.023 0.781 25508 9341 1 20 . 1 1 47 47 THR CB C 47 68.895 68.895 68.524 0.371 25508 9342 1 20 . 1 1 47 47 THR H H 47 7.629 7.629 7.394 0.235 25508 9343 1 20 . 1 1 48 48 MET N N 48 120.050 120.050 121.541 -1.491 25508 9344 1 20 . 1 1 48 48 MET HA H 48 4.117 4.117 4.123 -0.006 25508 9345 1 20 . 1 1 48 48 MET C C 48 177.928 177.928 178.433 -0.505 25508 9346 1 20 . 1 1 48 48 MET CA C 48 59.041 59.041 58.225 0.816 25508 9347 1 20 . 1 1 48 48 MET CB C 48 31.985 31.985 31.982 0.003 25508 9348 1 20 . 1 1 48 48 MET H H 48 7.077 7.077 7.833 -0.756 25508 9349 1 20 . 1 1 49 49 LEU N N 49 120.156 120.156 119.760 0.396 25508 9350 1 20 . 1 1 49 49 LEU HA H 49 3.991 3.991 4.198 -0.207 25508 9351 1 20 . 1 1 49 49 LEU C C 49 180.284 180.284 179.642 0.642 25508 9352 1 20 . 1 1 49 49 LEU CA C 49 58.157 58.157 58.009 0.148 25508 9353 1 20 . 1 1 49 49 LEU CB C 49 42.723 42.723 41.228 1.495 25508 9354 1 20 . 1 1 49 49 LEU H H 49 7.982 7.982 8.595 -0.613 25508 9355 1 20 . 1 1 50 50 ILE N N 50 119.987 119.987 119.626 0.361 25508 9356 1 20 . 1 1 50 50 ILE HA H 50 3.487 3.487 3.528 -0.041 25508 9357 1 20 . 1 1 50 50 ILE C C 50 178.074 178.074 177.726 0.348 25508 9358 1 20 . 1 1 50 50 ILE CA C 50 65.734 65.734 65.495 0.239 25508 9359 1 20 . 1 1 50 50 ILE CB C 50 38.622 38.622 37.544 1.078 25508 9360 1 20 . 1 1 50 50 ILE H H 50 8.275 8.275 7.594 0.681 25508 9361 1 20 . 1 1 51 51 ASN N N 51 117.331 117.331 116.173 1.158 25508 9362 1 20 . 1 1 51 51 ASN HA H 51 4.493 4.493 4.510 -0.017 25508 9363 1 20 . 1 1 51 51 ASN C C 51 178.621 178.621 176.294 2.327 25508 9364 1 20 . 1 1 51 51 ASN CA C 51 55.787 55.787 55.823 -0.036 25508 9365 1 20 . 1 1 51 51 ASN CB C 51 38.273 38.273 39.170 -0.897 25508 9366 1 20 . 1 1 51 51 ASN H H 51 7.902 7.902 8.130 -0.228 25508 9367 1 20 . 1 1 52 52 GLU N N 52 120.128 120.128 118.577 1.551 25508 9368 1 20 . 1 1 52 52 GLU HA H 52 4.006 4.006 4.207 -0.201 25508 9369 1 20 . 1 1 52 52 GLU C C 52 177.628 177.628 177.436 0.192 25508 9370 1 20 . 1 1 52 52 GLU CA C 52 59.034 59.034 58.376 0.658 25508 9371 1 20 . 1 1 52 52 GLU CB C 52 29.714 29.714 29.956 -0.242 25508 9372 1 20 . 1 1 52 52 GLU H H 52 8.958 8.958 7.998 0.960 25508 9373 1 20 . 1 1 53 53 ASN N N 53 112.872 112.872 114.737 -1.865 25508 9374 1 20 . 1 1 53 53 ASN HA H 53 4.666 4.666 4.817 -0.151 25508 9375 1 20 . 1 1 53 53 ASN C C 53 173.022 173.022 174.207 -1.185 25508 9376 1 20 . 1 1 53 53 ASN CA C 53 53.416 53.416 53.365 0.051 25508 9377 1 20 . 1 1 53 53 ASN CB C 53 38.938 38.938 40.073 -1.135 25508 9378 1 20 . 1 1 53 53 ASN H H 53 7.535 7.535 8.063 -0.528 25508 9379 1 20 . 1 1 54 54 ARG N N 54 118.579 118.579 116.686 1.893 25508 9380 1 20 . 1 1 54 54 ARG HA H 54 3.975 3.975 4.050 -0.075 25508 9381 1 20 . 1 1 54 54 ARG C C 54 176.170 176.170 175.617 0.553 25508 9382 1 20 . 1 1 54 54 ARG CA C 54 56.615 56.615 56.714 -0.099 25508 9383 1 20 . 1 1 54 54 ARG CB C 54 27.180 27.180 26.943 0.237 25508 9384 1 20 . 1 1 54 54 ARG H H 54 7.696 7.696 7.656 0.040 25508 9385 1 20 . 1 1 55 55 LEU N N 55 116.705 116.705 118.977 -2.272 25508 9386 1 20 . 1 1 55 55 LEU HA H 55 4.097 4.097 4.135 -0.038 25508 9387 1 20 . 1 1 55 55 LEU C C 55 176.242 176.242 177.653 -1.411 25508 9388 1 20 . 1 1 55 55 LEU CA C 55 55.099 55.099 55.042 0.057 25508 9389 1 20 . 1 1 55 55 LEU CB C 55 42.694 42.694 42.305 0.389 25508 9390 1 20 . 1 1 55 55 LEU H H 55 7.927 7.927 7.636 0.291 25508 9391 1 20 . 1 1 56 56 ASN N N 56 120.616 120.616 118.521 2.095 25508 9392 1 20 . 1 1 56 56 ASN HA H 56 4.708 4.708 4.906 -0.198 25508 9393 1 20 . 1 1 56 56 ASN C C 56 176.058 176.058 175.913 0.145 25508 9394 1 20 . 1 1 56 56 ASN CA C 56 51.440 51.440 51.969 -0.529 25508 9395 1 20 . 1 1 56 56 ASN CB C 56 38.554 38.554 38.303 0.251 25508 9396 1 20 . 1 1 56 56 ASN H H 56 8.530 8.530 8.441 0.089 25508 9397 1 20 . 1 1 57 57 MET N N 57 121.659 121.659 122.544 -0.885 25508 9398 1 20 . 1 1 57 57 MET HA H 57 4.341 4.341 4.048 0.293 25508 9399 1 20 . 1 1 57 57 MET C C 57 176.694 176.694 177.714 -1.020 25508 9400 1 20 . 1 1 57 57 MET CA C 57 55.717 55.717 58.734 -3.017 25508 9401 1 20 . 1 1 57 57 MET CB C 57 30.266 30.266 32.506 -2.240 25508 9402 1 20 . 1 1 57 57 MET H H 57 8.628 8.628 8.530 0.098 25508 9403 1 20 . 1 1 58 58 ALA N N 58 120.515 120.515 120.335 0.180 25508 9404 1 20 . 1 1 58 58 ALA HA H 58 4.267 4.267 4.122 0.145 25508 9405 1 20 . 1 1 58 58 ALA C C 58 177.625 177.625 177.820 -0.195 25508 9406 1 20 . 1 1 58 58 ALA CA C 58 52.643 52.643 53.670 -1.027 25508 9407 1 20 . 1 1 58 58 ALA CB C 58 18.667 18.667 18.718 -0.051 25508 9408 1 20 . 1 1 58 58 ALA H H 58 7.988 7.988 7.996 -0.008 25508 9409 1 20 . 1 1 59 59 ASP N N 59 121.926 121.926 116.403 5.523 25508 9410 1 20 . 1 1 59 59 ASP CA C 59 50.871 50.871 51.390 -0.519 25508 9411 1 20 . 1 1 59 59 ASP CB C 59 42.450 42.450 41.597 0.853 25508 9412 1 20 . 1 1 59 59 ASP H H 59 8.024 8.024 7.803 0.221 25508 9413 1 20 . 1 1 60 60 PRO HA H 60 4.186 4.186 4.334 -0.148 25508 9414 1 20 . 1 1 60 60 PRO C C 60 179.232 179.232 178.348 0.884 25508 9415 1 20 . 1 1 60 60 PRO CA C 60 65.347 65.347 64.489 0.858 25508 9416 1 20 . 1 1 60 60 PRO CB C 60 32.399 32.399 32.585 -0.186 25508 9417 1 20 . 1 1 61 61 ARG N N 61 117.390 117.390 119.497 -2.107 25508 9418 1 20 . 1 1 61 61 ARG HA H 61 4.107 4.107 4.021 0.086 25508 9419 1 20 . 1 1 61 61 ARG C C 61 179.817 179.817 178.249 1.568 25508 9420 1 20 . 1 1 61 61 ARG CA C 61 59.098 59.098 59.723 -0.625 25508 9421 1 20 . 1 1 61 61 ARG CB C 61 29.670 29.670 28.957 0.713 25508 9422 1 20 . 1 1 61 61 ARG H H 61 8.597 8.597 8.457 0.140 25508 9423 1 20 . 1 1 62 62 ALA N N 62 124.172 124.172 120.187 3.985 25508 9424 1 20 . 1 1 62 62 ALA HA H 62 4.201 4.201 4.173 0.028 25508 9425 1 20 . 1 1 62 62 ALA C C 62 179.726 179.726 179.939 -0.213 25508 9426 1 20 . 1 1 62 62 ALA CA C 62 55.011 55.011 54.760 0.251 25508 9427 1 20 . 1 1 62 62 ALA CB C 62 19.251 19.251 18.453 0.798 25508 9428 1 20 . 1 1 62 62 ALA H H 62 7.597 7.597 7.836 -0.239 25508 9429 1 20 . 1 1 63 63 ARG N N 63 116.483 116.483 116.593 -0.110 25508 9430 1 20 . 1 1 63 63 ARG HA H 63 3.985 3.985 4.267 -0.282 25508 9431 1 20 . 1 1 63 63 ARG C C 63 179.234 179.234 178.554 0.680 25508 9432 1 20 . 1 1 63 63 ARG CA C 63 60.029 60.029 58.590 1.440 25508 9433 1 20 . 1 1 63 63 ARG CB C 63 29.806 29.806 30.350 -0.544 25508 9434 1 20 . 1 1 63 63 ARG H H 63 7.640 7.640 7.923 -0.283 25508 9435 1 20 . 1 1 64 64 GLN N N 64 119.143 119.143 119.591 -0.448 25508 9436 1 20 . 1 1 64 64 GLN HA H 64 4.095 4.095 4.193 -0.098 25508 9437 1 20 . 1 1 64 64 GLN C C 64 178.261 178.261 177.082 1.179 25508 9438 1 20 . 1 1 64 64 GLN CA C 64 59.183 59.183 58.370 0.813 25508 9439 1 20 . 1 1 64 64 GLN CB C 64 28.266 28.266 29.257 -0.991 25508 9440 1 20 . 1 1 64 64 GLN H H 64 8.114 8.114 8.058 0.056 25508 9441 1 20 . 1 1 65 65 TYR N N 65 121.413 121.413 119.042 2.371 25508 9442 1 20 . 1 1 65 65 TYR HA H 65 4.321 4.321 4.491 -0.170 25508 9443 1 20 . 1 1 65 65 TYR C C 65 180.478 180.478 176.005 4.473 25508 9444 1 20 . 1 1 65 65 TYR CA C 65 61.407 61.407 60.246 1.161 25508 9445 1 20 . 1 1 65 65 TYR CB C 65 37.831 37.831 39.483 -1.651 25508 9446 1 20 . 1 1 65 65 TYR H H 65 7.929 7.929 7.903 0.026 25508 9447 1 20 . 1 1 66 66 LEU N N 66 119.499 119.499 116.246 3.253 25508 9448 1 20 . 1 1 66 66 LEU HA H 66 3.870 3.870 3.980 -0.110 25508 9449 1 20 . 1 1 66 66 LEU C C 66 180.847 180.847 178.756 2.091 25508 9450 1 20 . 1 1 66 66 LEU CA C 66 57.959 57.959 56.374 1.585 25508 9451 1 20 . 1 1 66 66 LEU CB C 66 41.522 41.522 41.547 -0.025 25508 9452 1 20 . 1 1 66 66 LEU H H 66 8.328 8.328 7.529 0.799 25508 9453 1 20 . 1 1 67 67 MET N N 67 122.316 122.316 119.255 3.061 25508 9454 1 20 . 1 1 67 67 MET HA H 67 4.100 4.100 4.233 -0.133 25508 9455 1 20 . 1 1 67 67 MET C C 67 178.402 178.402 177.652 0.750 25508 9456 1 20 . 1 1 67 67 MET CA C 67 59.693 59.693 58.996 0.697 25508 9457 1 20 . 1 1 67 67 MET CB C 67 32.202 32.202 32.286 -0.084 25508 9458 1 20 . 1 1 67 67 MET H H 67 8.480 8.480 7.721 0.759 25508 9459 1 20 . 1 1 68 68 LYS N N 68 120.460 120.460 117.467 2.993 25508 9460 1 20 . 1 1 68 68 LYS HA H 68 4.160 4.160 3.990 0.170 25508 9461 1 20 . 1 1 68 68 LYS C C 68 179.963 179.963 178.986 0.977 25508 9462 1 20 . 1 1 68 68 LYS CA C 68 58.857 58.857 59.050 -0.194 25508 9463 1 20 . 1 1 68 68 LYS CB C 68 31.276 31.276 31.696 -0.420 25508 9464 1 20 . 1 1 68 68 LYS H H 68 8.024 8.024 7.738 0.286 25508 9465 1 20 . 1 1 69 69 GLN N N 69 117.834 117.834 117.886 -0.052 25508 9466 1 20 . 1 1 69 69 GLN HA H 69 3.858 3.858 4.200 -0.342 25508 9467 1 20 . 1 1 69 69 GLN C C 69 178.013 178.013 177.011 1.002 25508 9468 1 20 . 1 1 69 69 GLN CA C 69 58.097 58.097 58.169 -0.072 25508 9469 1 20 . 1 1 69 69 GLN CB C 69 27.601 27.601 28.862 -1.261 25508 9470 1 20 . 1 1 69 69 GLN H H 69 8.281 8.281 7.949 0.332 25508 9471 1 20 . 1 1 70 70 THR N N 70 119.066 119.066 115.275 3.791 25508 9472 1 20 . 1 1 70 70 THR HA H 70 2.666 2.666 4.302 -1.636 25508 9473 1 20 . 1 1 70 70 THR C C 70 175.189 175.189 175.765 -0.576 25508 9474 1 20 . 1 1 70 70 THR CA C 70 66.732 66.732 65.253 1.479 25508 9475 1 20 . 1 1 70 70 THR CB C 70 68.451 68.451 69.338 -0.887 25508 9476 1 20 . 1 1 70 70 THR H H 70 8.245 8.245 7.601 0.644 25508 9477 1 20 . 1 1 71 71 GLU N N 71 121.112 121.112 122.310 -1.198 25508 9478 1 20 . 1 1 71 71 GLU HA H 71 3.873 3.873 4.168 -0.295 25508 9479 1 20 . 1 1 71 71 GLU C C 71 177.903 177.903 178.753 -0.850 25508 9480 1 20 . 1 1 71 71 GLU CA C 71 60.325 60.325 59.553 0.772 25508 9481 1 20 . 1 1 71 71 GLU CB C 71 30.065 30.065 29.679 0.386 25508 9482 1 20 . 1 1 71 71 GLU H H 71 7.872 7.872 8.034 -0.162 25508 9483 1 20 . 1 1 72 72 LYS N N 72 118.112 118.112 117.817 0.295 25508 9484 1 20 . 1 1 72 72 LYS HA H 72 3.853 3.853 4.077 -0.224 25508 9485 1 20 . 1 1 72 72 LYS C C 72 178.447 178.447 178.789 -0.342 25508 9486 1 20 . 1 1 72 72 LYS CA C 72 59.199 59.199 58.858 0.341 25508 9487 1 20 . 1 1 72 72 LYS CB C 72 32.705 32.705 31.893 0.812 25508 9488 1 20 . 1 1 72 72 LYS H H 72 7.932 7.932 7.602 0.330 25508 9489 1 20 . 1 1 73 73 TYR N N 73 119.703 119.703 120.273 -0.570 25508 9490 1 20 . 1 1 73 73 TYR HA H 73 3.704 3.704 4.274 -0.570 25508 9491 1 20 . 1 1 73 73 TYR C C 73 176.953 176.953 177.369 -0.416 25508 9492 1 20 . 1 1 73 73 TYR CA C 73 61.540 61.540 61.295 0.244 25508 9493 1 20 . 1 1 73 73 TYR CB C 73 38.266 38.266 38.494 -0.228 25508 9494 1 20 . 1 1 73 73 TYR H H 73 7.800 7.800 7.793 0.007 25508 9495 1 20 . 1 1 74 74 PHE N N 74 111.749 111.749 118.368 -6.619 25508 9496 1 20 . 1 1 74 74 PHE HA H 74 3.886 3.886 4.287 -0.401 25508 9497 1 20 . 1 1 74 74 PHE C C 74 176.300 176.300 177.601 -1.301 25508 9498 1 20 . 1 1 74 74 PHE CA C 74 61.784 61.784 59.133 2.651 25508 9499 1 20 . 1 1 74 74 PHE CB C 74 39.690 39.690 39.791 -0.101 25508 9500 1 20 . 1 1 74 74 PHE H H 74 7.139 7.139 7.973 -0.834 25508 9501 1 20 . 1 1 75 75 PHE N N 75 114.845 114.845 118.572 -3.727 25508 9502 1 20 . 1 1 75 75 PHE HA H 75 5.009 5.009 4.040 0.969 25508 9503 1 20 . 1 1 75 75 PHE C C 75 176.448 176.448 176.453 -0.005 25508 9504 1 20 . 1 1 75 75 PHE CA C 75 56.575 56.575 59.655 -3.080 25508 9505 1 20 . 1 1 75 75 PHE CB C 75 40.353 40.353 38.450 1.903 25508 9506 1 20 . 1 1 75 75 PHE H H 75 8.275 8.275 8.105 0.170 25508 9507 1 20 . 1 1 76 76 GLY N N 76 109.977 109.977 108.136 1.841 25508 9508 1 20 . 1 1 76 76 GLY C C 76 173.602 173.602 174.360 -0.758 25508 9509 1 20 . 1 1 76 76 GLY CA C 76 45.375 45.375 45.474 -0.099 25508 9510 1 20 . 1 1 76 76 GLY H H 76 7.836 7.836 7.674 0.162 25508 9511 1 20 . 1 1 77 77 GLU N N 77 120.068 120.068 122.159 -2.091 25508 9512 1 20 . 1 1 77 77 GLU HA H 77 4.259 4.259 3.921 0.338 25508 9513 1 20 . 1 1 77 77 GLU C C 77 176.925 176.925 177.690 -0.765 25508 9514 1 20 . 1 1 77 77 GLU CA C 77 56.647 56.647 57.325 -0.678 25508 9515 1 20 . 1 1 77 77 GLU CB C 77 30.694 30.694 29.644 1.050 25508 9516 1 20 . 1 1 77 77 GLU H H 77 8.445 8.445 8.224 0.221 25508 9517 1 20 . 1 1 78 78 GLY N N 78 110.135 110.135 109.404 0.731 25508 9518 1 20 . 1 1 78 78 GLY C C 78 174.241 174.241 173.062 1.179 25508 9519 1 20 . 1 1 78 78 GLY CA C 78 45.368 45.368 44.922 0.446 25508 9520 1 20 . 1 1 78 78 GLY H H 78 8.457 8.457 7.819 0.638 25508 9521 1 20 . 1 1 79 79 ALA N N 79 123.773 123.773 126.926 -3.153 25508 9522 1 20 . 1 1 79 79 ALA HA H 79 4.208 4.208 4.504 -0.296 25508 9523 1 20 . 1 1 79 79 ALA C C 79 177.657 177.657 175.168 2.489 25508 9524 1 20 . 1 1 79 79 ALA CA C 79 52.782 52.782 51.297 1.485 25508 9525 1 20 . 1 1 79 79 ALA CB C 79 19.145 19.145 20.907 -1.762 25508 9526 1 20 . 1 1 79 79 ALA H H 79 8.195 8.195 7.637 0.558 25508 9527 1 20 . 1 1 80 80 ASP N N 80 118.833 118.833 121.180 -2.347 25508 9528 1 20 . 1 1 80 80 ASP HA H 80 4.473 4.473 4.740 -0.267 25508 9529 1 20 . 1 1 80 80 ASP C C 80 176.374 176.374 175.376 0.998 25508 9530 1 20 . 1 1 80 80 ASP CA C 80 54.383 54.383 53.772 0.612 25508 9531 1 20 . 1 1 80 80 ASP CB C 80 40.940 40.940 44.580 -3.640 25508 9532 1 20 . 1 1 80 80 ASP H H 80 8.347 8.347 8.401 -0.054 25508 9533 1 20 . 1 1 81 81 GLN N N 81 120.376 120.376 119.205 1.171 25508 9534 1 20 . 1 1 81 81 GLN HA H 81 4.225 4.225 4.527 -0.302 25508 9535 1 20 . 1 1 81 81 GLN C C 81 176.029 176.029 174.578 1.451 25508 9536 1 20 . 1 1 81 81 GLN CA C 81 55.969 55.969 54.627 1.343 25508 9537 1 20 . 1 1 81 81 GLN CB C 81 29.242 29.242 28.551 0.691 25508 9538 1 20 . 1 1 81 81 GLN H H 81 8.188 8.188 8.422 -0.234 25508 9539 1 20 . 1 1 82 82 ALA N N 82 124.734 124.734 126.191 -1.457 25508 9540 1 20 . 1 1 82 82 ALA HA H 82 4.271 4.271 4.163 0.107 25508 9541 1 20 . 1 1 82 82 ALA C C 82 178.011 178.011 177.109 0.902 25508 9542 1 20 . 1 1 82 82 ALA CA C 82 52.680 52.680 52.575 0.105 25508 9543 1 20 . 1 1 82 82 ALA CB C 82 19.023 19.023 18.470 0.553 25508 9544 1 20 . 1 1 82 82 ALA H H 82 8.307 8.307 8.227 0.080 25508 9545 1 20 . 1 1 83 83 SER N N 83 114.999 114.999 117.630 -2.631 25508 9546 1 20 . 1 1 83 83 SER HA H 83 4.368 4.368 4.525 -0.157 25508 9547 1 20 . 1 1 83 83 SER C C 83 175.141 175.141 173.710 1.431 25508 9548 1 20 . 1 1 83 83 SER CA C 83 58.843 58.843 58.488 0.355 25508 9549 1 20 . 1 1 83 83 SER CB C 83 63.849 63.849 64.712 -0.863 25508 9550 1 20 . 1 1 83 83 SER H H 83 8.269 8.269 8.604 -0.335 25508 9551 1 20 . 1 1 84 84 GLY N N 84 110.722 110.722 112.217 -1.495 25508 9552 1 20 . 1 1 84 84 GLY C C 84 173.457 173.457 172.435 1.022 25508 9553 1 20 . 1 1 84 84 GLY CA C 84 45.168 45.168 44.704 0.464 25508 9554 1 20 . 1 1 84 84 GLY H H 84 8.324 8.324 8.377 -0.053 25508 9555 1 20 . 1 1 85 85 TYR N N 85 121.054 121.054 121.376 -0.322 25508 9556 1 20 . 1 1 85 85 TYR HA H 85 4.395 4.395 4.775 -0.380 25508 9557 1 20 . 1 1 85 85 TYR C C 85 174.866 174.866 175.033 -0.167 25508 9558 1 20 . 1 1 85 85 TYR CA C 85 58.433 58.433 57.463 0.970 25508 9559 1 20 . 1 1 85 85 TYR CB C 85 38.856 38.856 40.853 -1.998 25508 9560 1 20 . 1 1 85 85 TYR H H 85 7.982 7.982 8.060 -0.078 25508 9561 1 20 . 1 1 86 86 VAL N N 86 127.973 127.973 119.341 8.632 25508 9562 1 20 . 1 1 86 86 VAL CA C 86 58.815 58.815 62.184 -3.369 25508 9563 1 20 . 1 1 86 86 VAL CB C 86 33.360 33.360 30.682 2.678 25508 9564 1 20 . 1 1 86 86 VAL H H 86 7.734 7.734 8.794 -1.060 25508 9565 1 20 . 1 1 88 88 PRO HA H 88 4.320 4.320 4.467 -0.147 25508 9566 1 20 . 1 1 88 88 PRO C C 88 176.654 176.654 175.875 0.779 25508 9567 1 20 . 1 1 88 88 PRO CA C 88 62.735 62.735 62.992 -0.257 25508 9568 1 20 . 1 1 88 88 PRO CB C 88 32.007 32.007 32.605 -0.598 25508 9569 1 20 . 1 1 89 89 ALA N N 89 124.497 124.497 120.133 4.364 25508 9570 1 20 . 1 1 89 89 ALA HA H 89 4.213 4.213 4.428 -0.215 25508 9571 1 20 . 1 1 89 89 ALA C C 89 177.739 177.739 176.090 1.649 25508 9572 1 20 . 1 1 89 89 ALA CA C 89 52.564 52.564 51.807 0.757 25508 9573 1 20 . 1 1 89 89 ALA CB C 89 19.103 19.103 20.213 -1.110 25508 9574 1 20 . 1 1 89 89 ALA H H 89 8.332 8.332 7.979 0.353 25508 9575 1 20 . 1 1 90 90 GLN N N 90 119.712 119.712 119.808 -0.096 25508 9576 1 20 . 1 1 90 90 GLN HA H 90 4.301 4.301 4.629 -0.328 25508 9577 1 20 . 1 1 90 90 GLN C C 90 175.302 175.302 175.788 -0.486 25508 9578 1 20 . 1 1 90 90 GLN CA C 90 55.717 55.717 55.625 0.092 25508 9579 1 20 . 1 1 90 90 GLN CB C 90 29.764 29.764 30.482 -0.718 25508 9580 1 20 . 1 1 90 90 GLN H H 90 8.338 8.338 8.452 -0.114 25508 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 81 3.023 -0.477 3.004 25508 2 1 1 "Average Difference" HA 84 0.409 0.155 0.381 25508 3 1 1 "Average Difference" C 79 1.232 -0.369 1.183 25508 4 1 1 "Average Difference" CA 86 1.097 -0.382 1.034 25508 5 1 1 "Average Difference" CB 79 1.156 0.010 1.163 25508 6 1 1 "Average Difference" HN 81 0.602 -0.130 0.591 25508 7 1 2 "Average Difference" N 81 3.141 -0.567 3.109 25508 8 1 2 "Average Difference" HA 84 0.362 0.125 0.342 25508 9 1 2 "Average Difference" C 79 1.260 -0.302 1.231 25508 10 1 2 "Average Difference" CA 86 1.147 -0.413 1.076 25508 11 1 2 "Average Difference" CB 79 1.162 -0.108 1.165 25508 12 1 2 "Average Difference" HN 81 0.562 -0.161 0.542 25508 13 1 3 "Average Difference" N 81 3.120 -0.518 3.096 25508 14 1 3 "Average Difference" HA 84 0.398 0.154 0.369 25508 15 1 3 "Average Difference" C 79 1.154 -0.328 1.113 25508 16 1 3 "Average Difference" CA 86 1.198 -0.404 1.135 25508 17 1 3 "Average Difference" CB 79 1.259 -0.000 1.267 25508 18 1 3 "Average Difference" HN 81 0.575 -0.118 0.567 25508 19 1 4 "Average Difference" N 81 2.766 -0.500 2.737 25508 20 1 4 "Average Difference" HA 84 0.383 0.134 0.361 25508 21 1 4 "Average Difference" C 79 1.178 -0.316 1.142 25508 22 1 4 "Average Difference" CA 86 1.212 -0.411 1.147 25508 23 1 4 "Average Difference" CB 79 0.964 -0.130 0.962 25508 24 1 4 "Average Difference" HN 81 0.632 -0.204 0.602 25508 25 1 5 "Average Difference" N 81 2.948 -0.816 2.850 25508 26 1 5 "Average Difference" HA 84 0.377 0.153 0.347 25508 27 1 5 "Average Difference" C 79 1.225 -0.438 1.152 25508 28 1 5 "Average Difference" CA 86 1.172 -0.427 1.097 25508 29 1 5 "Average Difference" CB 79 1.222 -0.075 1.227 25508 30 1 5 "Average Difference" HN 81 0.620 -0.178 0.597 25508 31 1 6 "Average Difference" N 81 3.099 -0.518 3.074 25508 32 1 6 "Average Difference" HA 84 0.387 0.152 0.358 25508 33 1 6 "Average Difference" C 79 1.245 -0.308 1.214 25508 34 1 6 "Average Difference" CA 86 1.207 -0.457 1.124 25508 35 1 6 "Average Difference" CB 79 0.967 -0.074 0.971 25508 36 1 6 "Average Difference" HN 81 0.618 -0.180 0.595 25508 37 1 7 "Average Difference" N 81 3.009 -0.560 2.975 25508 38 1 7 "Average Difference" HA 84 0.393 0.145 0.368 25508 39 1 7 "Average Difference" C 79 1.208 -0.240 1.191 25508 40 1 7 "Average Difference" CA 86 1.261 -0.338 1.222 25508 41 1 7 "Average Difference" CB 79 1.212 -0.190 1.204 25508 42 1 7 "Average Difference" HN 81 0.556 -0.160 0.536 25508 43 1 8 "Average Difference" N 81 3.161 -0.710 3.099 25508 44 1 8 "Average Difference" HA 84 0.367 0.146 0.339 25508 45 1 8 "Average Difference" C 79 1.180 -0.325 1.142 25508 46 1 8 "Average Difference" CA 86 1.242 -0.467 1.158 25508 47 1 8 "Average Difference" CB 79 1.137 -0.126 1.137 25508 48 1 8 "Average Difference" HN 81 0.582 -0.221 0.542 25508 49 1 9 "Average Difference" N 81 3.105 -0.745 3.033 25508 50 1 9 "Average Difference" HA 84 0.369 0.141 0.344 25508 51 1 9 "Average Difference" C 79 1.259 -0.322 1.225 25508 52 1 9 "Average Difference" CA 86 1.159 -0.380 1.102 25508 53 1 9 "Average Difference" CB 79 1.210 -0.201 1.200 25508 54 1 9 "Average Difference" HN 81 0.608 -0.183 0.583 25508 55 1 10 "Average Difference" N 81 2.756 -0.506 2.726 25508 56 1 10 "Average Difference" HA 84 0.357 0.143 0.329 25508 57 1 10 "Average Difference" C 79 1.149 -0.251 1.129 25508 58 1 10 "Average Difference" CA 86 1.127 -0.379 1.068 25508 59 1 10 "Average Difference" CB 79 1.113 -0.055 1.119 25508 60 1 10 "Average Difference" HN 81 0.600 -0.149 0.585 25508 61 1 11 "Average Difference" N 81 3.131 -0.795 3.047 25508 62 1 11 "Average Difference" HA 84 0.344 0.122 0.323 25508 63 1 11 "Average Difference" C 79 1.203 -0.266 1.181 25508 64 1 11 "Average Difference" CA 86 1.141 -0.294 1.109 25508 65 1 11 "Average Difference" CB 79 1.188 -0.210 1.176 25508 66 1 11 "Average Difference" HN 81 0.585 -0.205 0.552 25508 67 1 12 "Average Difference" N 81 3.003 -0.319 3.004 25508 68 1 12 "Average Difference" HA 84 0.397 0.143 0.373 25508 69 1 12 "Average Difference" C 79 1.261 -0.397 1.205 25508 70 1 12 "Average Difference" CA 86 1.117 -0.455 1.027 25508 71 1 12 "Average Difference" CB 79 1.079 -0.015 1.086 25508 72 1 12 "Average Difference" HN 81 0.607 -0.120 0.598 25508 73 1 13 "Average Difference" N 81 3.035 -0.600 2.994 25508 74 1 13 "Average Difference" HA 84 0.376 0.144 0.349 25508 75 1 13 "Average Difference" C 79 1.236 -0.345 1.194 25508 76 1 13 "Average Difference" CA 86 1.227 -0.353 1.182 25508 77 1 13 "Average Difference" CB 79 1.128 -0.126 1.128 25508 78 1 13 "Average Difference" HN 81 0.583 -0.169 0.562 25508 79 1 14 "Average Difference" N 81 2.984 -0.565 2.948 25508 80 1 14 "Average Difference" HA 84 0.383 0.131 0.361 25508 81 1 14 "Average Difference" C 79 1.200 -0.234 1.185 25508 82 1 14 "Average Difference" CA 86 1.167 -0.311 1.131 25508 83 1 14 "Average Difference" CB 79 1.112 -0.130 1.112 25508 84 1 14 "Average Difference" HN 81 0.529 -0.131 0.516 25508 85 1 15 "Average Difference" N 81 2.928 -0.854 2.818 25508 86 1 15 "Average Difference" HA 84 0.339 0.129 0.316 25508 87 1 15 "Average Difference" C 79 1.295 -0.323 1.262 25508 88 1 15 "Average Difference" CA 86 1.306 -0.343 1.267 25508 89 1 15 "Average Difference" CB 79 1.257 -0.358 1.213 25508 90 1 15 "Average Difference" HN 81 0.629 -0.208 0.597 25508 91 1 16 "Average Difference" N 81 3.116 -0.883 3.007 25508 92 1 16 "Average Difference" HA 84 0.388 0.153 0.359 25508 93 1 16 "Average Difference" C 79 1.274 -0.420 1.210 25508 94 1 16 "Average Difference" CA 86 1.207 -0.494 1.107 25508 95 1 16 "Average Difference" CB 79 1.155 -0.066 1.160 25508 96 1 16 "Average Difference" HN 81 0.597 -0.190 0.570 25508 97 1 17 "Average Difference" N 81 3.294 -0.871 3.196 25508 98 1 17 "Average Difference" HA 84 0.373 0.161 0.338 25508 99 1 17 "Average Difference" C 79 1.295 -0.434 1.228 25508 100 1 17 "Average Difference" CA 86 1.251 -0.497 1.155 25508 101 1 17 "Average Difference" CB 79 1.225 -0.068 1.231 25508 102 1 17 "Average Difference" HN 81 0.607 -0.148 0.592 25508 103 1 18 "Average Difference" N 81 3.276 -0.688 3.223 25508 104 1 18 "Average Difference" HA 84 0.348 0.113 0.332 25508 105 1 18 "Average Difference" C 79 1.162 -0.337 1.119 25508 106 1 18 "Average Difference" CA 86 1.231 -0.403 1.170 25508 107 1 18 "Average Difference" CB 79 1.195 -0.152 1.193 25508 108 1 18 "Average Difference" HN 81 0.577 -0.147 0.561 25508 109 1 19 "Average Difference" N 81 2.703 -0.637 2.643 25508 110 1 19 "Average Difference" HA 84 0.366 0.121 0.348 25508 111 1 19 "Average Difference" C 79 1.230 -0.327 1.193 25508 112 1 19 "Average Difference" CA 86 1.280 -0.371 1.232 25508 113 1 19 "Average Difference" CB 79 1.138 -0.249 1.118 25508 114 1 19 "Average Difference" HN 81 0.647 -0.198 0.620 25508 115 1 20 "Average Difference" N 81 3.049 -0.415 3.039 25508 116 1 20 "Average Difference" HA 84 0.386 0.136 0.363 25508 117 1 20 "Average Difference" C 79 1.278 -0.409 1.218 25508 118 1 20 "Average Difference" CA 86 1.237 -0.417 1.171 25508 119 1 20 "Average Difference" CB 79 1.110 0.015 1.117 25508 120 1 20 "Average Difference" HN 81 0.635 -0.174 0.614 25508 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 25508 _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 N N 2 125.581 125.581 126.422 -0.841 25508 2 1 . 1 1 2 2 ALA HA H 2 4.204 4.204 4.402 -0.198 25508 3 1 . 1 1 2 2 ALA C C 2 176.764 176.764 177.131 -0.367 25508 4 1 . 1 1 2 2 ALA CA C 2 52.280 52.280 53.097 -0.817 25508 5 1 . 1 1 2 2 ALA CB C 2 19.494 19.494 19.690 -0.196 25508 6 1 . 1 1 2 2 ALA H H 2 8.203 8.203 8.578 -0.375 25508 7 1 . 1 1 3 3 ARG N N 3 123.058 123.058 116.017 7.041 25508 8 1 . 1 1 3 3 ARG HA H 3 4.247 4.247 4.495 -0.248 25508 9 1 . 1 1 3 3 ARG C C 3 174.914 174.914 174.204 0.710 25508 10 1 . 1 1 3 3 ARG CA C 3 55.678 55.678 55.418 0.260 25508 11 1 . 1 1 3 3 ARG CB C 3 31.276 31.276 33.171 -1.895 25508 12 1 . 1 1 3 3 ARG H H 3 8.649 8.649 7.946 0.703 25508 13 1 . 1 1 4 4 MET N N 4 125.010 125.010 118.813 6.197 25508 14 1 . 1 1 4 4 MET HA H 4 4.966 4.966 4.831 0.135 25508 15 1 . 1 1 4 4 MET C C 4 176.144 176.144 174.896 1.248 25508 16 1 . 1 1 4 4 MET CA C 4 53.311 53.311 54.877 -1.566 25508 17 1 . 1 1 4 4 MET CB C 4 32.120 32.120 33.496 -1.376 25508 18 1 . 1 1 4 4 MET H H 4 8.427 8.427 8.453 -0.026 25508 19 1 . 1 1 5 5 ILE N N 5 117.850 117.850 117.717 0.133 25508 20 1 . 1 1 5 5 ILE HA H 5 4.623 4.623 4.642 -0.019 25508 21 1 . 1 1 5 5 ILE C C 5 174.207 174.207 173.651 0.556 25508 22 1 . 1 1 5 5 ILE CA C 5 58.353 58.353 58.987 -0.634 25508 23 1 . 1 1 5 5 ILE CB C 5 42.910 42.910 41.940 0.970 25508 24 1 . 1 1 5 5 ILE H H 5 8.860 8.860 8.681 0.179 25508 25 1 . 1 1 6 6 HIS N N 6 120.378 120.378 118.641 1.737 25508 26 1 . 1 1 6 6 HIS HA H 6 4.301 4.301 5.064 -0.763 25508 27 1 . 1 1 6 6 HIS C C 6 173.087 173.087 175.105 -2.018 25508 28 1 . 1 1 6 6 HIS CA C 6 56.131 56.131 53.862 2.269 25508 29 1 . 1 1 6 6 HIS CB C 6 28.508 28.508 28.284 0.224 25508 30 1 . 1 1 6 6 HIS H H 6 8.506 8.506 8.189 0.317 25508 31 1 . 1 1 7 7 CYS N N 7 131.021 131.021 123.300 7.721 25508 32 1 . 1 1 7 7 CYS HA H 7 4.154 4.154 4.082 0.072 25508 33 1 . 1 1 7 7 CYS C C 7 177.621 177.621 175.739 1.882 25508 34 1 . 1 1 7 7 CYS CA C 7 61.346 61.346 59.307 2.039 25508 35 1 . 1 1 7 7 CYS CB C 7 31.004 31.004 27.556 3.448 25508 36 1 . 1 1 7 7 CYS H H 7 7.873 7.873 8.141 -0.268 25508 37 1 . 1 1 8 8 ALA N N 8 133.325 133.325 129.410 3.915 25508 38 1 . 1 1 8 8 ALA HA H 8 4.229 4.229 3.868 0.361 25508 39 1 . 1 1 8 8 ALA C C 8 178.608 178.608 177.351 1.257 25508 40 1 . 1 1 8 8 ALA CA C 8 54.478 54.478 53.541 0.937 25508 41 1 . 1 1 8 8 ALA CB C 8 19.264 19.264 17.768 1.496 25508 42 1 . 1 1 8 8 ALA H H 8 9.543 9.543 7.928 1.615 25508 43 1 . 1 1 9 9 LYS N N 9 122.128 122.128 116.657 5.471 25508 44 1 . 1 1 9 9 LYS CA C 9 56.353 56.353 57.694 -1.341 25508 45 1 . 1 1 9 9 LYS CB C 9 33.619 33.619 32.686 0.933 25508 46 1 . 1 1 9 9 LYS H H 9 9.739 9.739 7.945 1.794 25508 47 1 . 1 1 10 10 LEU HA H 10 4.194 4.194 4.537 -0.343 25508 48 1 . 1 1 10 10 LEU C C 10 178.870 178.870 177.621 1.249 25508 49 1 . 1 1 10 10 LEU CA C 10 55.934 55.934 55.248 0.686 25508 50 1 . 1 1 10 10 LEU CB C 10 42.693 42.693 43.599 -0.906 25508 51 1 . 1 1 11 11 GLY N N 11 107.385 107.385 105.245 2.140 25508 52 1 . 1 1 11 11 GLY C C 11 173.268 173.268 173.694 -0.426 25508 53 1 . 1 1 11 11 GLY CA C 11 46.756 46.756 44.886 1.870 25508 54 1 . 1 1 11 11 GLY H H 11 8.258 8.258 8.159 0.099 25508 55 1 . 1 1 12 12 LYS N N 12 112.456 112.456 118.665 -6.209 25508 56 1 . 1 1 12 12 LYS HA H 12 4.547 4.547 4.629 -0.082 25508 57 1 . 1 1 12 12 LYS C C 12 173.822 173.822 174.436 -0.614 25508 58 1 . 1 1 12 12 LYS CA C 12 53.523 53.523 53.923 -0.400 25508 59 1 . 1 1 12 12 LYS CB C 12 35.156 35.156 34.756 0.400 25508 60 1 . 1 1 12 12 LYS H H 12 6.772 6.772 7.652 -0.880 25508 61 1 . 1 1 13 13 GLU N N 13 121.058 121.058 119.852 1.206 25508 62 1 . 1 1 13 13 GLU HA H 13 4.874 4.874 4.594 0.280 25508 63 1 . 1 1 13 13 GLU C C 13 176.290 176.290 175.647 0.643 25508 64 1 . 1 1 13 13 GLU CA C 13 56.291 56.291 56.083 0.208 25508 65 1 . 1 1 13 13 GLU CB C 13 29.827 29.827 30.328 -0.501 25508 66 1 . 1 1 13 13 GLU H H 13 8.402 8.402 8.546 -0.144 25508 67 1 . 1 1 14 14 ALA N N 14 127.978 127.978 128.334 -0.356 25508 68 1 . 1 1 14 14 ALA HA H 14 4.514 4.514 4.705 -0.191 25508 69 1 . 1 1 14 14 ALA C C 14 175.156 175.156 175.493 -0.337 25508 70 1 . 1 1 14 14 ALA CA C 14 51.437 51.437 50.450 0.987 25508 71 1 . 1 1 14 14 ALA CB C 14 23.586 23.586 22.241 1.345 25508 72 1 . 1 1 14 14 ALA H H 14 9.330 9.330 8.793 0.537 25508 73 1 . 1 1 15 15 GLU N N 15 120.272 120.272 118.967 1.305 25508 74 1 . 1 1 15 15 GLU HA H 15 4.573 4.573 4.591 -0.018 25508 75 1 . 1 1 15 15 GLU C C 15 178.292 178.292 176.953 1.339 25508 76 1 . 1 1 15 15 GLU CA C 15 57.645 57.645 55.876 1.769 25508 77 1 . 1 1 15 15 GLU CB C 15 30.016 30.016 30.599 -0.583 25508 78 1 . 1 1 15 15 GLU H H 15 8.560 8.560 8.548 0.012 25508 79 1 . 1 1 16 16 GLY N N 16 113.246 113.246 109.034 4.212 25508 80 1 . 1 1 16 16 GLY C C 16 172.877 172.877 174.130 -1.253 25508 81 1 . 1 1 16 16 GLY CA C 16 44.636 44.636 43.895 0.741 25508 82 1 . 1 1 16 16 GLY H H 16 9.236 9.236 8.244 0.992 25508 83 1 . 1 1 17 17 LEU N N 17 120.058 120.058 121.542 -1.484 25508 84 1 . 1 1 17 17 LEU HA H 17 3.960 3.960 4.084 -0.124 25508 85 1 . 1 1 17 17 LEU C C 17 177.457 177.457 177.146 0.311 25508 86 1 . 1 1 17 17 LEU CA C 17 55.375 55.375 56.096 -0.721 25508 87 1 . 1 1 17 17 LEU CB C 17 43.355 43.355 42.359 0.996 25508 88 1 . 1 1 17 17 LEU H H 17 9.482 9.482 8.132 1.350 25508 89 1 . 1 1 18 18 ASP N N 18 118.600 118.600 117.641 0.959 25508 90 1 . 1 1 18 18 ASP HA H 18 4.531 4.531 4.485 0.046 25508 91 1 . 1 1 18 18 ASP C C 18 175.929 175.929 174.383 1.546 25508 92 1 . 1 1 18 18 ASP CA C 18 56.544 56.544 54.788 1.756 25508 93 1 . 1 1 18 18 ASP CB C 18 41.655 41.655 40.289 1.366 25508 94 1 . 1 1 18 18 ASP H H 18 8.848 8.848 8.218 0.630 25508 95 1 . 1 1 19 19 PHE N N 19 113.195 113.195 117.211 -4.016 25508 96 1 . 1 1 19 19 PHE CA C 19 55.070 55.070 54.832 0.238 25508 97 1 . 1 1 19 19 PHE CB C 19 38.588 38.588 41.136 -2.548 25508 98 1 . 1 1 19 19 PHE H H 19 7.108 7.108 7.409 -0.301 25508 99 1 . 1 1 21 21 PRO HA H 21 4.357 4.357 4.507 -0.150 25508 100 1 . 1 1 21 21 PRO C C 21 174.627 174.627 176.123 -1.496 25508 101 1 . 1 1 21 21 PRO CA C 21 63.914 63.914 64.324 -0.410 25508 102 1 . 1 1 21 21 PRO CB C 21 31.431 31.431 32.534 -1.103 25508 103 1 . 1 1 22 22 LEU N N 22 117.643 117.643 117.270 0.373 25508 104 1 . 1 1 22 22 LEU CA C 22 51.462 51.462 52.191 -0.729 25508 105 1 . 1 1 22 22 LEU CB C 22 46.011 46.011 43.767 2.244 25508 106 1 . 1 1 22 22 LEU H H 22 6.788 6.788 7.487 -0.699 25508 107 1 . 1 1 24 24 GLY N N 24 105.443 105.443 110.169 -4.726 25508 108 1 . 1 1 24 24 GLY C C 24 175.297 175.297 174.919 0.379 25508 109 1 . 1 1 24 24 GLY CA C 24 45.381 45.381 44.665 0.716 25508 110 1 . 1 1 24 24 GLY H H 24 8.367 8.367 7.802 0.565 25508 111 1 . 1 1 25 25 GLU N N 25 122.031 122.031 119.370 2.661 25508 112 1 . 1 1 25 25 GLU HA H 25 3.887 3.887 4.236 -0.349 25508 113 1 . 1 1 25 25 GLU C C 25 179.015 179.015 177.933 1.082 25508 114 1 . 1 1 25 25 GLU CA C 25 59.283 59.283 58.114 1.169 25508 115 1 . 1 1 25 25 GLU CB C 25 29.176 29.176 29.686 -0.510 25508 116 1 . 1 1 25 25 GLU H H 25 8.737 8.737 8.635 0.102 25508 117 1 . 1 1 26 26 LEU N N 26 120.531 120.531 120.501 0.030 25508 118 1 . 1 1 26 26 LEU HA H 26 4.104 4.104 4.156 -0.052 25508 119 1 . 1 1 26 26 LEU C C 26 178.836 178.836 178.572 0.264 25508 120 1 . 1 1 26 26 LEU CA C 26 57.981 57.981 57.157 0.824 25508 121 1 . 1 1 26 26 LEU CB C 26 40.939 40.939 41.644 -0.705 25508 122 1 . 1 1 26 26 LEU H H 26 8.852 8.852 8.018 0.834 25508 123 1 . 1 1 27 27 GLY N N 27 102.599 102.599 106.149 -3.550 25508 124 1 . 1 1 27 27 GLY C C 27 175.874 175.874 175.740 0.134 25508 125 1 . 1 1 27 27 GLY CA C 27 48.024 48.024 47.144 0.879 25508 126 1 . 1 1 27 27 GLY H H 27 6.894 6.894 8.289 -1.395 25508 127 1 . 1 1 28 28 LYS N N 28 122.738 122.738 120.456 2.282 25508 128 1 . 1 1 28 28 LYS HA H 28 3.914 3.914 4.359 -0.445 25508 129 1 . 1 1 28 28 LYS C C 28 177.965 177.965 178.425 -0.460 25508 130 1 . 1 1 28 28 LYS CA C 28 59.844 59.844 58.973 0.871 25508 131 1 . 1 1 28 28 LYS CB C 28 32.169 32.169 32.297 -0.128 25508 132 1 . 1 1 28 28 LYS H H 28 7.449 7.449 7.748 -0.299 25508 133 1 . 1 1 29 29 ARG N N 29 119.988 119.988 116.184 3.804 25508 134 1 . 1 1 29 29 ARG HA H 29 3.998 3.998 4.356 -0.358 25508 135 1 . 1 1 29 29 ARG CA C 29 59.876 59.876 57.323 2.553 25508 136 1 . 1 1 29 29 ARG CB C 29 30.829 30.829 30.330 0.499 25508 137 1 . 1 1 29 29 ARG H H 29 8.194 8.194 7.678 0.516 25508 138 1 . 1 1 30 30 LEU N N 30 119.547 119.547 120.516 -0.969 25508 139 1 . 1 1 30 30 LEU HA H 30 3.849 3.849 4.278 -0.429 25508 140 1 . 1 1 30 30 LEU C C 30 177.351 177.351 178.638 -1.287 25508 141 1 . 1 1 30 30 LEU CA C 30 58.068 58.068 57.721 0.347 25508 142 1 . 1 1 30 30 LEU CB C 30 41.547 41.547 42.467 -0.920 25508 143 1 . 1 1 30 30 LEU H H 30 8.333 8.333 7.857 0.476 25508 144 1 . 1 1 31 31 TYR N N 31 118.033 118.033 117.472 0.561 25508 145 1 . 1 1 31 31 TYR HA H 31 3.895 3.895 4.175 -0.280 25508 146 1 . 1 1 31 31 TYR C C 31 178.434 178.434 176.287 2.147 25508 147 1 . 1 1 31 31 TYR CA C 31 61.391 61.391 60.182 1.209 25508 148 1 . 1 1 31 31 TYR CB C 31 39.083 39.083 37.907 1.176 25508 149 1 . 1 1 31 31 TYR H H 31 8.106 8.106 8.204 -0.098 25508 150 1 . 1 1 32 32 GLU N N 32 117.126 117.126 115.657 1.469 25508 151 1 . 1 1 32 32 GLU HA H 32 3.926 3.926 3.823 0.103 25508 152 1 . 1 1 32 32 GLU C C 32 178.370 178.370 176.128 2.242 25508 153 1 . 1 1 32 32 GLU CA C 32 58.603 58.603 56.419 2.184 25508 154 1 . 1 1 32 32 GLU CB C 32 30.580 30.580 28.843 1.737 25508 155 1 . 1 1 32 32 GLU H H 32 8.260 8.260 7.811 0.449 25508 156 1 . 1 1 33 33 SER N N 33 108.887 108.887 113.949 -5.062 25508 157 1 . 1 1 33 33 SER HA H 33 4.910 4.910 4.454 0.456 25508 158 1 . 1 1 33 33 SER C C 33 171.776 171.776 173.998 -2.222 25508 159 1 . 1 1 33 33 SER CA C 33 60.399 60.399 59.276 1.123 25508 160 1 . 1 1 33 33 SER CB C 33 67.057 67.057 65.599 1.458 25508 161 1 . 1 1 33 33 SER H H 33 7.553 7.553 7.568 -0.015 25508 162 1 . 1 1 34 34 VAL N N 34 120.097 120.097 120.637 -0.540 25508 163 1 . 1 1 34 34 VAL CA C 34 61.287 61.287 61.983 -0.696 25508 164 1 . 1 1 34 34 VAL CB C 34 34.048 34.048 32.818 1.230 25508 165 1 . 1 1 34 34 VAL H H 34 8.396 8.396 8.072 0.324 25508 166 1 . 1 1 35 35 SER HA H 35 4.107 4.107 4.976 -0.869 25508 167 1 . 1 1 35 35 SER C C 35 174.321 174.321 174.705 -0.384 25508 168 1 . 1 1 35 35 SER CA C 35 58.771 58.771 56.659 2.112 25508 169 1 . 1 1 35 35 SER CB C 35 66.899 66.899 65.824 1.075 25508 170 1 . 1 1 36 36 LYS N N 36 119.115 119.115 121.530 -2.415 25508 171 1 . 1 1 36 36 LYS HA H 36 4.016 4.016 4.089 -0.073 25508 172 1 . 1 1 36 36 LYS C C 36 179.407 179.407 177.996 1.411 25508 173 1 . 1 1 36 36 LYS CA C 36 60.728 60.728 58.910 1.818 25508 174 1 . 1 1 36 36 LYS CB C 36 32.746 32.746 32.512 0.234 25508 175 1 . 1 1 36 36 LYS H H 36 8.562 8.562 8.508 0.054 25508 176 1 . 1 1 37 37 GLN N N 37 118.142 118.142 118.290 -0.148 25508 177 1 . 1 1 37 37 GLN HA H 37 3.970 3.970 4.273 -0.303 25508 178 1 . 1 1 37 37 GLN C C 37 177.580 177.580 177.803 -0.223 25508 179 1 . 1 1 37 37 GLN CA C 37 59.134 59.134 58.222 0.912 25508 180 1 . 1 1 37 37 GLN CB C 37 28.534 28.534 28.469 0.065 25508 181 1 . 1 1 37 37 GLN H H 37 8.958 8.958 8.108 0.850 25508 182 1 . 1 1 38 38 ALA N N 38 121.173 121.173 122.528 -1.355 25508 183 1 . 1 1 38 38 ALA HA H 38 4.409 4.409 4.182 0.227 25508 184 1 . 1 1 38 38 ALA C C 38 181.081 181.081 178.847 2.234 25508 185 1 . 1 1 38 38 ALA CA C 38 55.065 55.065 53.958 1.107 25508 186 1 . 1 1 38 38 ALA CB C 38 19.574 19.574 18.062 1.512 25508 187 1 . 1 1 38 38 ALA H H 38 8.233 8.233 8.028 0.205 25508 188 1 . 1 1 39 39 TRP N N 39 121.046 121.046 120.356 0.690 25508 189 1 . 1 1 39 39 TRP HA H 39 4.898 4.898 4.283 0.615 25508 190 1 . 1 1 39 39 TRP C C 39 176.886 176.886 177.442 -0.556 25508 191 1 . 1 1 39 39 TRP CA C 39 60.403 60.403 60.485 -0.082 25508 192 1 . 1 1 39 39 TRP CB C 39 30.640 30.640 29.541 1.099 25508 193 1 . 1 1 39 39 TRP H H 39 8.891 8.891 8.168 0.723 25508 194 1 . 1 1 40 40 GLN N N 40 117.010 117.010 115.959 1.051 25508 195 1 . 1 1 40 40 GLN HA H 40 3.715 3.715 3.898 -0.183 25508 196 1 . 1 1 40 40 GLN C C 40 179.512 179.512 178.159 1.353 25508 197 1 . 1 1 40 40 GLN CA C 40 59.159 59.159 58.705 0.454 25508 198 1 . 1 1 40 40 GLN CB C 40 27.821 27.821 28.074 -0.253 25508 199 1 . 1 1 40 40 GLN H H 40 8.541 8.541 7.714 0.827 25508 200 1 . 1 1 41 41 ASP N N 41 120.036 120.036 120.843 -0.807 25508 201 1 . 1 1 41 41 ASP HA H 41 4.396 4.396 4.389 0.007 25508 202 1 . 1 1 41 41 ASP C C 41 179.637 179.637 177.941 1.696 25508 203 1 . 1 1 41 41 ASP CA C 41 57.571 57.571 57.060 0.511 25508 204 1 . 1 1 41 41 ASP CB C 41 40.205 40.205 40.738 -0.533 25508 205 1 . 1 1 41 41 ASP H H 41 8.119 8.119 7.734 0.385 25508 206 1 . 1 1 42 42 TRP N N 42 123.295 123.295 120.460 2.835 25508 207 1 . 1 1 42 42 TRP HA H 42 3.992 3.992 4.297 -0.305 25508 208 1 . 1 1 42 42 TRP C C 42 176.559 176.559 177.933 -1.374 25508 209 1 . 1 1 42 42 TRP CA C 42 58.825 58.825 60.132 -1.307 25508 210 1 . 1 1 42 42 TRP CB C 42 30.101 30.101 29.559 0.542 25508 211 1 . 1 1 42 42 TRP H H 42 8.015 8.015 8.044 -0.029 25508 212 1 . 1 1 43 43 LEU N N 43 118.444 118.444 117.702 0.742 25508 213 1 . 1 1 43 43 LEU HA H 43 3.073 3.073 3.717 -0.644 25508 214 1 . 1 1 43 43 LEU C C 43 180.127 180.127 178.586 1.541 25508 215 1 . 1 1 43 43 LEU CA C 43 57.710 57.710 57.022 0.688 25508 216 1 . 1 1 43 43 LEU CB C 43 40.675 40.675 41.086 -0.411 25508 217 1 . 1 1 43 43 LEU H H 43 8.027 8.027 7.464 0.563 25508 218 1 . 1 1 44 44 LYS N N 44 117.577 117.577 119.774 -2.197 25508 219 1 . 1 1 44 44 LYS HA H 44 3.871 3.871 3.879 -0.008 25508 220 1 . 1 1 44 44 LYS C C 44 179.010 179.010 178.707 0.303 25508 221 1 . 1 1 44 44 LYS CA C 44 59.496 59.496 59.284 0.212 25508 222 1 . 1 1 44 44 LYS CB C 44 32.301 32.301 32.042 0.259 25508 223 1 . 1 1 44 44 LYS H H 44 7.065 7.065 7.464 -0.399 25508 224 1 . 1 1 45 45 GLN N N 45 120.755 120.755 117.828 2.927 25508 225 1 . 1 1 45 45 GLN HA H 45 3.834 3.834 3.985 -0.151 25508 226 1 . 1 1 45 45 GLN C C 45 177.807 177.807 178.164 -0.357 25508 227 1 . 1 1 45 45 GLN CA C 45 57.760 57.760 58.553 -0.793 25508 228 1 . 1 1 45 45 GLN CB C 45 27.623 27.623 27.820 -0.197 25508 229 1 . 1 1 45 45 GLN H H 45 7.033 7.033 7.718 -0.685 25508 230 1 . 1 1 46 46 GLN N N 46 120.768 120.768 119.535 1.233 25508 231 1 . 1 1 46 46 GLN HA H 46 3.065 3.065 3.784 -0.719 25508 232 1 . 1 1 46 46 GLN C C 46 177.167 177.167 178.258 -1.091 25508 233 1 . 1 1 46 46 GLN CA C 46 59.136 59.136 59.367 -0.231 25508 234 1 . 1 1 46 46 GLN CB C 46 28.416 28.416 28.307 0.110 25508 235 1 . 1 1 46 46 GLN H H 46 8.346 8.346 7.734 0.612 25508 236 1 . 1 1 47 47 THR N N 47 114.925 114.925 115.338 -0.413 25508 237 1 . 1 1 47 47 THR HA H 47 3.690 3.690 4.094 -0.404 25508 238 1 . 1 1 47 47 THR C C 47 175.615 175.615 176.189 -0.574 25508 239 1 . 1 1 47 47 THR CA C 47 66.804 66.804 66.098 0.706 25508 240 1 . 1 1 47 47 THR CB C 47 68.895 68.895 68.636 0.259 25508 241 1 . 1 1 47 47 THR H H 47 7.629 7.629 7.507 0.122 25508 242 1 . 1 1 48 48 MET N N 48 120.050 120.050 121.333 -1.283 25508 243 1 . 1 1 48 48 MET HA H 48 4.117 4.117 4.124 -0.008 25508 244 1 . 1 1 48 48 MET C C 48 177.928 177.928 178.350 -0.422 25508 245 1 . 1 1 48 48 MET CA C 48 59.041 59.041 58.942 0.099 25508 246 1 . 1 1 48 48 MET CB C 48 31.985 31.985 32.132 -0.147 25508 247 1 . 1 1 48 48 MET H H 48 7.077 7.077 7.648 -0.571 25508 248 1 . 1 1 49 49 LEU N N 49 120.156 120.156 119.746 0.410 25508 249 1 . 1 1 49 49 LEU HA H 49 3.991 3.991 4.164 -0.173 25508 250 1 . 1 1 49 49 LEU C C 49 180.284 180.284 179.285 0.999 25508 251 1 . 1 1 49 49 LEU CA C 49 58.157 58.157 57.894 0.263 25508 252 1 . 1 1 49 49 LEU CB C 49 42.723 42.723 41.368 1.355 25508 253 1 . 1 1 49 49 LEU H H 49 7.982 7.982 8.472 -0.490 25508 254 1 . 1 1 50 50 ILE N N 50 119.987 119.987 119.794 0.194 25508 255 1 . 1 1 50 50 ILE HA H 50 3.487 3.487 3.527 -0.040 25508 256 1 . 1 1 50 50 ILE C C 50 178.074 178.074 177.871 0.203 25508 257 1 . 1 1 50 50 ILE CA C 50 65.734 65.734 65.583 0.151 25508 258 1 . 1 1 50 50 ILE CB C 50 38.622 38.622 37.559 1.063 25508 259 1 . 1 1 50 50 ILE H H 50 8.275 8.275 7.775 0.500 25508 260 1 . 1 1 51 51 ASN N N 51 117.331 117.331 116.713 0.618 25508 261 1 . 1 1 51 51 ASN HA H 51 4.493 4.493 4.475 0.018 25508 262 1 . 1 1 51 51 ASN C C 51 178.621 178.621 176.774 1.847 25508 263 1 . 1 1 51 51 ASN CA C 51 55.787 55.787 56.078 -0.290 25508 264 1 . 1 1 51 51 ASN CB C 51 38.273 38.273 38.910 -0.637 25508 265 1 . 1 1 51 51 ASN H H 51 7.902 7.902 8.162 -0.260 25508 266 1 . 1 1 52 52 GLU N N 52 120.128 120.128 119.956 0.172 25508 267 1 . 1 1 52 52 GLU HA H 52 4.006 4.006 4.144 -0.138 25508 268 1 . 1 1 52 52 GLU C C 52 177.628 177.628 177.995 -0.367 25508 269 1 . 1 1 52 52 GLU CA C 52 59.034 59.034 58.724 0.310 25508 270 1 . 1 1 52 52 GLU CB C 52 29.714 29.714 29.929 -0.215 25508 271 1 . 1 1 52 52 GLU H H 52 8.958 8.958 8.032 0.926 25508 272 1 . 1 1 53 53 ASN N N 53 112.872 112.872 115.450 -2.578 25508 273 1 . 1 1 53 53 ASN HA H 53 4.666 4.666 4.613 0.053 25508 274 1 . 1 1 53 53 ASN C C 53 173.022 173.022 175.037 -2.015 25508 275 1 . 1 1 53 53 ASN CA C 53 53.416 53.416 53.910 -0.494 25508 276 1 . 1 1 53 53 ASN CB C 53 38.938 38.938 39.156 -0.218 25508 277 1 . 1 1 53 53 ASN H H 53 7.535 7.535 8.171 -0.636 25508 278 1 . 1 1 54 54 ARG N N 54 118.579 118.579 116.023 2.556 25508 279 1 . 1 1 54 54 ARG HA H 54 3.975 3.975 4.053 -0.078 25508 280 1 . 1 1 54 54 ARG C C 54 176.170 176.170 175.366 0.804 25508 281 1 . 1 1 54 54 ARG CA C 54 56.615 56.615 56.561 0.054 25508 282 1 . 1 1 54 54 ARG CB C 54 27.180 27.180 27.206 -0.026 25508 283 1 . 1 1 54 54 ARG H H 54 7.696 7.696 7.609 0.087 25508 284 1 . 1 1 55 55 LEU N N 55 116.705 116.705 118.597 -1.892 25508 285 1 . 1 1 55 55 LEU HA H 55 4.097 4.097 4.281 -0.184 25508 286 1 . 1 1 55 55 LEU C C 55 176.242 176.242 177.188 -0.946 25508 287 1 . 1 1 55 55 LEU CA C 55 55.099 55.099 54.091 1.008 25508 288 1 . 1 1 55 55 LEU CB C 55 42.694 42.694 42.774 -0.079 25508 289 1 . 1 1 55 55 LEU H H 55 7.927 7.927 7.587 0.340 25508 290 1 . 1 1 56 56 ASN N N 56 120.616 120.616 118.819 1.797 25508 291 1 . 1 1 56 56 ASN HA H 56 4.708 4.708 4.920 -0.212 25508 292 1 . 1 1 56 56 ASN C C 56 176.058 176.058 175.879 0.179 25508 293 1 . 1 1 56 56 ASN CA C 56 51.440 51.440 51.956 -0.516 25508 294 1 . 1 1 56 56 ASN CB C 56 38.554 38.554 38.451 0.103 25508 295 1 . 1 1 56 56 ASN H H 56 8.530 8.530 8.541 -0.011 25508 296 1 . 1 1 57 57 MET N N 57 121.659 121.659 122.987 -1.328 25508 297 1 . 1 1 57 57 MET HA H 57 4.341 4.341 4.067 0.274 25508 298 1 . 1 1 57 57 MET C C 57 176.694 176.694 177.398 -0.704 25508 299 1 . 1 1 57 57 MET CA C 57 55.717 55.717 58.891 -3.174 25508 300 1 . 1 1 57 57 MET CB C 57 30.266 30.266 32.480 -2.214 25508 301 1 . 1 1 57 57 MET H H 57 8.628 8.628 8.352 0.276 25508 302 1 . 1 1 58 58 ALA N N 58 120.515 120.515 120.400 0.115 25508 303 1 . 1 1 58 58 ALA HA H 58 4.267 4.267 4.126 0.141 25508 304 1 . 1 1 58 58 ALA C C 58 177.625 177.625 177.853 -0.228 25508 305 1 . 1 1 58 58 ALA CA C 58 52.643 52.643 53.533 -0.890 25508 306 1 . 1 1 58 58 ALA CB C 58 18.667 18.667 18.696 -0.029 25508 307 1 . 1 1 58 58 ALA H H 58 7.988 7.988 8.003 -0.015 25508 308 1 . 1 1 59 59 ASP N N 59 121.926 121.926 116.556 5.370 25508 309 1 . 1 1 59 59 ASP CA C 59 50.871 50.871 51.493 -0.622 25508 310 1 . 1 1 59 59 ASP CB C 59 42.450 42.450 41.616 0.834 25508 311 1 . 1 1 59 59 ASP H H 59 8.024 8.024 7.774 0.250 25508 312 1 . 1 1 60 60 PRO HA H 60 4.186 4.186 4.366 -0.180 25508 313 1 . 1 1 60 60 PRO C C 60 179.232 179.232 177.978 1.254 25508 314 1 . 1 1 60 60 PRO CA C 60 65.347 65.347 64.330 1.017 25508 315 1 . 1 1 60 60 PRO CB C 60 32.399 32.399 32.349 0.049 25508 316 1 . 1 1 61 61 ARG N N 61 117.390 117.390 118.864 -1.474 25508 317 1 . 1 1 61 61 ARG HA H 61 4.107 4.107 4.118 -0.011 25508 318 1 . 1 1 61 61 ARG C C 61 179.817 179.817 178.198 1.619 25508 319 1 . 1 1 61 61 ARG CA C 61 59.098 59.098 58.935 0.163 25508 320 1 . 1 1 61 61 ARG CB C 61 29.670 29.670 28.931 0.739 25508 321 1 . 1 1 61 61 ARG H H 61 8.597 8.597 8.560 0.037 25508 322 1 . 1 1 62 62 ALA N N 62 124.172 124.172 120.193 3.980 25508 323 1 . 1 1 62 62 ALA HA H 62 4.201 4.201 4.291 -0.090 25508 324 1 . 1 1 62 62 ALA C C 62 179.726 179.726 179.645 0.081 25508 325 1 . 1 1 62 62 ALA CA C 62 55.011 55.011 54.433 0.578 25508 326 1 . 1 1 62 62 ALA CB C 62 19.251 19.251 18.553 0.698 25508 327 1 . 1 1 62 62 ALA H H 62 7.597 7.597 7.656 -0.059 25508 328 1 . 1 1 63 63 ARG N N 63 116.483 116.483 117.806 -1.323 25508 329 1 . 1 1 63 63 ARG HA H 63 3.985 3.985 4.277 -0.292 25508 330 1 . 1 1 63 63 ARG C C 63 179.234 179.234 178.679 0.555 25508 331 1 . 1 1 63 63 ARG CA C 63 60.029 60.029 58.166 1.863 25508 332 1 . 1 1 63 63 ARG CB C 63 29.806 29.806 29.925 -0.119 25508 333 1 . 1 1 63 63 ARG H H 63 7.640 7.640 7.878 -0.238 25508 334 1 . 1 1 64 64 GLN N N 64 119.143 119.143 118.827 0.316 25508 335 1 . 1 1 64 64 GLN HA H 64 4.095 4.095 4.193 -0.098 25508 336 1 . 1 1 64 64 GLN C C 64 178.261 178.261 177.032 1.229 25508 337 1 . 1 1 64 64 GLN CA C 64 59.183 59.183 58.224 0.959 25508 338 1 . 1 1 64 64 GLN CB C 64 28.266 28.266 29.001 -0.735 25508 339 1 . 1 1 64 64 GLN H H 64 8.114 8.114 8.214 -0.100 25508 340 1 . 1 1 65 65 TYR N N 65 121.413 121.413 118.972 2.441 25508 341 1 . 1 1 65 65 TYR HA H 65 4.321 4.321 4.417 -0.096 25508 342 1 . 1 1 65 65 TYR C C 65 180.478 180.478 177.189 3.289 25508 343 1 . 1 1 65 65 TYR CA C 65 61.407 61.407 60.505 0.902 25508 344 1 . 1 1 65 65 TYR CB C 65 37.831 37.831 39.136 -1.305 25508 345 1 . 1 1 65 65 TYR H H 65 7.929 7.929 7.656 0.272 25508 346 1 . 1 1 66 66 LEU N N 66 119.499 119.499 120.166 -0.667 25508 347 1 . 1 1 66 66 LEU HA H 66 3.870 3.870 3.898 -0.028 25508 348 1 . 1 1 66 66 LEU C C 66 180.847 180.847 178.792 2.055 25508 349 1 . 1 1 66 66 LEU CA C 66 57.959 57.959 57.502 0.457 25508 350 1 . 1 1 66 66 LEU CB C 66 41.522 41.522 41.961 -0.439 25508 351 1 . 1 1 66 66 LEU H H 66 8.328 8.328 7.723 0.605 25508 352 1 . 1 1 67 67 MET N N 67 122.316 122.316 116.590 5.726 25508 353 1 . 1 1 67 67 MET HA H 67 4.100 4.100 4.197 -0.097 25508 354 1 . 1 1 67 67 MET C C 67 178.402 178.402 177.726 0.676 25508 355 1 . 1 1 67 67 MET CA C 67 59.693 59.693 58.587 1.106 25508 356 1 . 1 1 67 67 MET CB C 67 32.202 32.202 32.112 0.090 25508 357 1 . 1 1 67 67 MET H H 67 8.480 8.480 7.777 0.703 25508 358 1 . 1 1 68 68 LYS N N 68 120.460 120.460 117.261 3.199 25508 359 1 . 1 1 68 68 LYS HA H 68 4.160 4.160 4.170 -0.010 25508 360 1 . 1 1 68 68 LYS C C 68 179.963 179.963 179.039 0.924 25508 361 1 . 1 1 68 68 LYS CA C 68 58.857 58.857 58.283 0.573 25508 362 1 . 1 1 68 68 LYS CB C 68 31.276 31.276 31.729 -0.453 25508 363 1 . 1 1 68 68 LYS H H 68 8.024 8.024 7.739 0.285 25508 364 1 . 1 1 69 69 GLN N N 69 117.834 117.834 117.969 -0.135 25508 365 1 . 1 1 69 69 GLN HA H 69 3.858 3.858 4.268 -0.410 25508 366 1 . 1 1 69 69 GLN C C 69 178.013 178.013 177.292 0.721 25508 367 1 . 1 1 69 69 GLN CA C 69 58.097 58.097 57.719 0.378 25508 368 1 . 1 1 69 69 GLN CB C 69 27.601 27.601 28.737 -1.136 25508 369 1 . 1 1 69 69 GLN H H 69 8.281 8.281 7.968 0.313 25508 370 1 . 1 1 70 70 THR N N 70 119.066 119.066 115.244 3.822 25508 371 1 . 1 1 70 70 THR HA H 70 2.666 2.666 4.125 -1.459 25508 372 1 . 1 1 70 70 THR C C 70 175.189 175.189 175.597 -0.408 25508 373 1 . 1 1 70 70 THR CA C 70 66.732 66.732 65.595 1.137 25508 374 1 . 1 1 70 70 THR CB C 70 68.451 68.451 68.828 -0.377 25508 375 1 . 1 1 70 70 THR H H 70 8.245 8.245 7.691 0.554 25508 376 1 . 1 1 71 71 GLU N N 71 121.112 121.112 121.949 -0.837 25508 377 1 . 1 1 71 71 GLU HA H 71 3.873 3.873 4.135 -0.262 25508 378 1 . 1 1 71 71 GLU C C 71 177.903 177.903 178.264 -0.361 25508 379 1 . 1 1 71 71 GLU CA C 71 60.325 60.325 59.463 0.862 25508 380 1 . 1 1 71 71 GLU CB C 71 30.065 30.065 29.789 0.276 25508 381 1 . 1 1 71 71 GLU H H 71 7.872 7.872 8.120 -0.248 25508 382 1 . 1 1 72 72 LYS N N 72 118.112 118.112 118.265 -0.153 25508 383 1 . 1 1 72 72 LYS HA H 72 3.853 3.853 4.120 -0.267 25508 384 1 . 1 1 72 72 LYS C C 72 178.447 178.447 178.778 -0.331 25508 385 1 . 1 1 72 72 LYS CA C 72 59.199 59.199 58.523 0.676 25508 386 1 . 1 1 72 72 LYS CB C 72 32.705 32.705 31.880 0.826 25508 387 1 . 1 1 72 72 LYS H H 72 7.932 7.932 7.677 0.255 25508 388 1 . 1 1 73 73 TYR N N 73 119.703 119.703 119.682 0.021 25508 389 1 . 1 1 73 73 TYR HA H 73 3.704 3.704 4.203 -0.499 25508 390 1 . 1 1 73 73 TYR C C 73 176.953 176.953 177.103 -0.150 25508 391 1 . 1 1 73 73 TYR CA C 73 61.540 61.540 61.148 0.392 25508 392 1 . 1 1 73 73 TYR CB C 73 38.266 38.266 38.409 -0.143 25508 393 1 . 1 1 73 73 TYR H H 73 7.800 7.800 7.648 0.152 25508 394 1 . 1 1 74 74 PHE N N 74 111.749 111.749 117.298 -5.549 25508 395 1 . 1 1 74 74 PHE HA H 74 3.886 3.886 4.243 -0.357 25508 396 1 . 1 1 74 74 PHE C C 74 176.300 176.300 176.955 -0.655 25508 397 1 . 1 1 74 74 PHE CA C 74 61.784 61.784 59.452 2.332 25508 398 1 . 1 1 74 74 PHE CB C 74 39.690 39.690 39.800 -0.110 25508 399 1 . 1 1 74 74 PHE H H 74 7.139 7.139 7.582 -0.443 25508 400 1 . 1 1 75 75 PHE N N 75 114.845 114.845 116.952 -2.107 25508 401 1 . 1 1 75 75 PHE HA H 75 5.009 5.009 4.240 0.769 25508 402 1 . 1 1 75 75 PHE C C 75 176.448 176.448 176.481 -0.033 25508 403 1 . 1 1 75 75 PHE CA C 75 56.575 56.575 58.042 -1.467 25508 404 1 . 1 1 75 75 PHE CB C 75 40.353 40.353 38.231 2.122 25508 405 1 . 1 1 75 75 PHE H H 75 8.275 8.275 7.500 0.775 25508 406 1 . 1 1 76 76 GLY N N 76 109.977 109.977 107.654 2.323 25508 407 1 . 1 1 76 76 GLY C C 76 173.602 173.602 174.713 -1.111 25508 408 1 . 1 1 76 76 GLY CA C 76 45.375 45.375 45.347 0.028 25508 409 1 . 1 1 76 76 GLY H H 76 7.836 7.836 7.670 0.166 25508 410 1 . 1 1 77 77 GLU N N 77 120.068 120.068 121.060 -0.991 25508 411 1 . 1 1 77 77 GLU HA H 77 4.259 4.259 4.055 0.204 25508 412 1 . 1 1 77 77 GLU C C 77 176.925 176.925 177.620 -0.695 25508 413 1 . 1 1 77 77 GLU CA C 77 56.647 56.647 57.665 -1.018 25508 414 1 . 1 1 77 77 GLU CB C 77 30.694 30.694 29.658 1.036 25508 415 1 . 1 1 77 77 GLU H H 77 8.445 8.445 8.383 0.063 25508 416 1 . 1 1 78 78 GLY N N 78 110.135 110.135 108.097 2.038 25508 417 1 . 1 1 78 78 GLY C C 78 174.241 174.241 173.463 0.778 25508 418 1 . 1 1 78 78 GLY CA C 78 45.368 45.368 44.791 0.577 25508 419 1 . 1 1 78 78 GLY H H 78 8.457 8.457 7.909 0.548 25508 420 1 . 1 1 79 79 ALA N N 79 123.773 123.773 123.535 0.238 25508 421 1 . 1 1 79 79 ALA HA H 79 4.208 4.208 4.382 -0.174 25508 422 1 . 1 1 79 79 ALA C C 79 177.657 177.657 175.982 1.675 25508 423 1 . 1 1 79 79 ALA CA C 79 52.782 52.782 51.872 0.910 25508 424 1 . 1 1 79 79 ALA CB C 79 19.145 19.145 20.162 -1.017 25508 425 1 . 1 1 79 79 ALA H H 79 8.195 8.195 7.731 0.464 25508 426 1 . 1 1 80 80 ASP N N 80 118.833 118.833 120.225 -1.392 25508 427 1 . 1 1 80 80 ASP HA H 80 4.473 4.473 4.721 -0.248 25508 428 1 . 1 1 80 80 ASP C C 80 176.374 176.374 175.542 0.832 25508 429 1 . 1 1 80 80 ASP CA C 80 54.383 54.383 53.887 0.496 25508 430 1 . 1 1 80 80 ASP CB C 80 40.940 40.940 41.872 -0.932 25508 431 1 . 1 1 80 80 ASP H H 80 8.347 8.347 8.333 0.014 25508 432 1 . 1 1 81 81 GLN N N 81 120.376 120.376 120.092 0.284 25508 433 1 . 1 1 81 81 GLN HA H 81 4.225 4.225 4.466 -0.241 25508 434 1 . 1 1 81 81 GLN C C 81 176.029 176.029 174.805 1.224 25508 435 1 . 1 1 81 81 GLN CA C 81 55.969 55.969 55.326 0.643 25508 436 1 . 1 1 81 81 GLN CB C 81 29.242 29.242 29.816 -0.574 25508 437 1 . 1 1 81 81 GLN H H 81 8.188 8.188 8.302 -0.114 25508 438 1 . 1 1 82 82 ALA N N 82 124.734 124.734 123.443 1.291 25508 439 1 . 1 1 82 82 ALA HA H 82 4.271 4.271 4.533 -0.262 25508 440 1 . 1 1 82 82 ALA C C 82 178.011 178.011 176.467 1.544 25508 441 1 . 1 1 82 82 ALA CA C 82 52.680 52.680 52.135 0.545 25508 442 1 . 1 1 82 82 ALA CB C 82 19.023 19.023 19.253 -0.230 25508 443 1 . 1 1 82 82 ALA H H 82 8.307 8.307 8.400 -0.093 25508 444 1 . 1 1 83 83 SER N N 83 114.999 114.999 116.439 -1.440 25508 445 1 . 1 1 83 83 SER HA H 83 4.368 4.368 4.566 -0.198 25508 446 1 . 1 1 83 83 SER C C 83 175.141 175.141 173.947 1.195 25508 447 1 . 1 1 83 83 SER CA C 83 58.843 58.843 58.173 0.670 25508 448 1 . 1 1 83 83 SER CB C 83 63.849 63.849 64.065 -0.216 25508 449 1 . 1 1 83 83 SER H H 83 8.269 8.269 8.306 -0.037 25508 450 1 . 1 1 84 84 GLY N N 84 110.722 110.722 110.649 0.073 25508 451 1 . 1 1 84 84 GLY C C 84 173.457 173.457 172.832 0.625 25508 452 1 . 1 1 84 84 GLY CA C 84 45.168 45.168 45.063 0.105 25508 453 1 . 1 1 84 84 GLY H H 84 8.324 8.324 8.257 0.067 25508 454 1 . 1 1 85 85 TYR N N 85 121.054 121.054 120.695 0.359 25508 455 1 . 1 1 85 85 TYR HA H 85 4.395 4.395 4.730 -0.335 25508 456 1 . 1 1 85 85 TYR C C 85 174.866 174.866 175.476 -0.610 25508 457 1 . 1 1 85 85 TYR CA C 85 58.433 58.433 57.679 0.753 25508 458 1 . 1 1 85 85 TYR CB C 85 38.856 38.856 40.333 -1.477 25508 459 1 . 1 1 85 85 TYR H H 85 7.982 7.982 8.193 -0.211 25508 460 1 . 1 1 86 86 VAL N N 86 127.973 127.973 121.032 6.941 25508 461 1 . 1 1 86 86 VAL CA C 86 58.815 58.815 60.550 -1.735 25508 462 1 . 1 1 86 86 VAL CB C 86 33.360 33.360 31.882 1.478 25508 463 1 . 1 1 86 86 VAL H H 86 7.734 7.734 8.232 -0.498 25508 464 1 . 1 1 88 88 PRO HA H 88 4.320 4.320 4.411 -0.091 25508 465 1 . 1 1 88 88 PRO C C 88 176.654 176.654 175.978 0.676 25508 466 1 . 1 1 88 88 PRO CA C 88 62.735 62.735 62.968 -0.233 25508 467 1 . 1 1 88 88 PRO CB C 88 32.007 32.007 32.188 -0.181 25508 468 1 . 1 1 89 89 ALA N N 89 124.497 124.497 121.574 2.923 25508 469 1 . 1 1 89 89 ALA HA H 89 4.213 4.213 4.457 -0.244 25508 470 1 . 1 1 89 89 ALA C C 89 177.739 177.739 176.956 0.783 25508 471 1 . 1 1 89 89 ALA CA C 89 52.564 52.564 51.987 0.577 25508 472 1 . 1 1 89 89 ALA CB C 89 19.103 19.103 19.769 -0.666 25508 473 1 . 1 1 89 89 ALA H H 89 8.332 8.332 8.149 0.183 25508 474 1 . 1 1 90 90 GLN N N 90 119.712 119.712 120.572 -0.860 25508 475 1 . 1 1 90 90 GLN HA H 90 4.301 4.301 4.528 -0.227 25508 476 1 . 1 1 90 90 GLN C C 90 175.302 175.302 176.094 -0.792 25508 477 1 . 1 1 90 90 GLN CA C 90 55.717 55.717 55.919 -0.202 25508 478 1 . 1 1 90 90 GLN CB C 90 29.764 29.764 29.550 0.214 25508 479 1 . 1 1 90 90 GLN H H 90 8.338 8.338 8.698 -0.360 25508 stop_ save_