data_19431 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19431 _Entry.PDB_ID 2MC8 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 19431 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 GLU HA H 2 4.446 4.446 4.439 0.007 19431 2 1 1 . 1 1 2 2 GLU CA C 2 53.359 53.359 55.859 -2.500 19431 3 1 1 . 1 1 2 2 GLU CB C 2 29.108 29.108 30.498 -1.390 19431 4 1 1 . 1 1 3 3 ILE N N 3 123.144 123.144 126.054 -2.910 19431 5 1 1 . 1 1 3 3 ILE HA H 3 4.358 4.358 4.347 0.011 19431 6 1 1 . 1 1 3 3 ILE CA C 3 57.727 57.727 59.122 -1.395 19431 7 1 1 . 1 1 3 3 ILE CB C 3 35.665 35.665 36.641 -0.976 19431 8 1 1 . 1 1 4 4 LEU N N 4 127.461 127.461 128.580 -1.119 19431 9 1 1 . 1 1 4 4 LEU HA H 4 4.554 4.554 4.612 -0.058 19431 10 1 1 . 1 1 4 4 LEU CA C 4 51.011 51.011 54.141 -3.130 19431 11 1 1 . 1 1 4 4 LEU CB C 4 41.209 41.209 43.082 -1.873 19431 12 1 1 . 1 1 5 5 LYS N N 5 121.611 121.611 118.489 3.122 19431 13 1 1 . 1 1 5 5 LYS HA H 5 4.436 4.436 4.388 0.048 19431 14 1 1 . 1 1 5 5 LYS CA C 5 53.150 53.150 56.262 -3.112 19431 15 1 1 . 1 1 5 5 LYS CB C 5 29.359 29.359 31.977 -2.618 19431 16 1 1 . 1 1 6 6 GLU N N 6 115.825 115.825 115.368 0.457 19431 17 1 1 . 1 1 6 6 GLU HA H 6 4.269 4.269 4.476 -0.207 19431 18 1 1 . 1 1 6 6 GLU CA C 6 51.331 51.331 54.507 -3.175 19431 19 1 1 . 1 1 6 6 GLU CB C 6 29.583 29.583 32.331 -2.748 19431 20 1 1 . 1 1 7 7 LEU N N 7 118.967 118.967 122.023 -3.056 19431 21 1 1 . 1 1 7 7 LEU HA H 7 4.311 4.311 4.634 -0.323 19431 22 1 1 . 1 1 7 7 LEU CA C 7 50.182 50.182 52.452 -2.270 19431 23 1 1 . 1 1 7 7 LEU CB C 7 39.422 39.422 41.512 -2.090 19431 24 1 1 . 1 1 8 8 PRO HA H 8 4.432 4.432 4.566 -0.134 19431 25 1 1 . 1 1 8 8 PRO CA C 8 59.119 59.119 62.124 -3.005 19431 26 1 1 . 1 1 8 8 PRO CB C 8 29.306 29.306 32.593 -3.287 19431 27 1 1 . 1 1 9 9 GLU N N 9 121.059 121.059 118.603 2.456 19431 28 1 1 . 1 1 9 9 GLU HA H 9 4.033 4.033 4.113 -0.080 19431 29 1 1 . 1 1 9 9 GLU CA C 9 55.281 55.281 57.812 -2.531 19431 30 1 1 . 1 1 9 9 GLU CB C 9 26.864 26.864 30.093 -3.229 19431 31 1 1 . 1 1 10 10 GLY N N 10 112.279 112.279 110.120 2.159 19431 32 1 1 . 1 1 10 10 GLY CA C 10 42.029 42.029 44.354 -2.325 19431 33 1 1 . 1 1 11 11 PHE N N 11 117.612 117.612 118.272 -0.660 19431 34 1 1 . 1 1 11 11 PHE HA H 11 4.660 4.660 4.899 -0.239 19431 35 1 1 . 1 1 11 11 PHE CA C 11 54.280 54.280 56.152 -1.872 19431 36 1 1 . 1 1 11 11 PHE CB C 11 39.721 39.721 40.983 -1.262 19431 37 1 1 . 1 1 12 12 ASP N N 12 121.568 121.568 122.094 -0.526 19431 38 1 1 . 1 1 12 12 ASP HA H 12 4.875 4.875 4.831 0.044 19431 39 1 1 . 1 1 12 12 ASP CA C 12 49.676 49.676 52.939 -3.263 19431 40 1 1 . 1 1 12 12 ASP CB C 12 42.307 42.307 42.485 -0.178 19431 41 1 1 . 1 1 13 13 LYS N N 13 125.770 125.770 125.590 0.180 19431 42 1 1 . 1 1 13 13 LYS HA H 13 3.294 3.294 3.329 -0.035 19431 43 1 1 . 1 1 13 13 LYS CA C 13 58.046 58.046 59.953 -1.907 19431 44 1 1 . 1 1 13 13 LYS CB C 13 30.216 30.216 32.250 -2.034 19431 45 1 1 . 1 1 14 14 GLU N N 14 118.590 118.590 117.619 0.971 19431 46 1 1 . 1 1 14 14 GLU HA H 14 4.090 4.090 4.323 -0.233 19431 47 1 1 . 1 1 14 14 GLU CA C 14 56.364 56.364 58.747 -2.383 19431 48 1 1 . 1 1 14 14 GLU CB C 14 26.479 26.479 29.949 -3.470 19431 49 1 1 . 1 1 15 15 THR N N 15 118.372 118.372 118.490 -0.118 19431 50 1 1 . 1 1 15 15 THR HA H 15 3.737 3.737 4.114 -0.377 19431 51 1 1 . 1 1 15 15 THR CA C 15 63.974 63.974 66.866 -2.892 19431 52 1 1 . 1 1 15 15 THR CB C 15 65.565 65.565 68.949 -3.384 19431 53 1 1 . 1 1 16 16 VAL N N 16 121.083 121.083 122.212 -1.129 19431 54 1 1 . 1 1 16 16 VAL HA H 16 3.329 3.329 4.218 -0.889 19431 55 1 1 . 1 1 16 16 VAL CA C 16 64.214 64.214 66.316 -2.102 19431 56 1 1 . 1 1 16 16 VAL CB C 16 29.011 29.011 31.326 -2.315 19431 57 1 1 . 1 1 17 17 ARG N N 17 119.409 119.409 120.367 -0.958 19431 58 1 1 . 1 1 17 17 ARG HA H 17 3.737 3.737 3.934 -0.197 19431 59 1 1 . 1 1 17 17 ARG CA C 17 58.049 58.049 59.721 -1.672 19431 60 1 1 . 1 1 17 17 ARG CB C 17 27.401 27.401 29.985 -2.584 19431 61 1 1 . 1 1 18 18 LYS N N 18 116.168 116.168 119.368 -3.200 19431 62 1 1 . 1 1 18 18 LYS HA H 18 3.800 3.800 4.110 -0.310 19431 63 1 1 . 1 1 18 18 LYS CA C 18 57.031 57.031 58.462 -1.431 19431 64 1 1 . 1 1 18 18 LYS CB C 18 29.801 29.801 32.343 -2.542 19431 65 1 1 . 1 1 19 19 GLN N N 19 120.008 120.008 119.047 0.961 19431 66 1 1 . 1 1 19 19 GLN HA H 19 3.767 3.767 4.264 -0.497 19431 67 1 1 . 1 1 19 19 GLN CA C 19 54.492 54.492 55.240 -0.748 19431 68 1 1 . 1 1 19 19 GLN CB C 19 26.490 26.490 27.066 -0.576 19431 69 1 1 . 1 1 20 20 ALA N N 20 122.405 122.405 122.731 -0.326 19431 70 1 1 . 1 1 20 20 ALA HA H 20 4.404 4.404 4.650 -0.246 19431 71 1 1 . 1 1 20 20 ALA CA C 20 52.036 52.036 53.093 -1.057 19431 72 1 1 . 1 1 20 20 ALA CB C 20 16.407 16.407 19.670 -3.263 19431 73 1 1 . 1 1 21 21 MET N N 21 115.042 115.042 121.063 -6.021 19431 74 1 1 . 1 1 21 21 MET HA H 21 3.354 3.354 3.592 -0.238 19431 75 1 1 . 1 1 21 21 MET CA C 21 56.861 56.861 59.286 -2.425 19431 76 1 1 . 1 1 21 21 MET CB C 21 30.538 30.538 32.637 -2.099 19431 77 1 1 . 1 1 22 22 GLU N N 22 118.882 118.882 118.485 0.397 19431 78 1 1 . 1 1 22 22 GLU HA H 22 3.923 3.923 4.179 -0.256 19431 79 1 1 . 1 1 22 22 GLU CA C 22 56.675 56.675 59.283 -2.608 19431 80 1 1 . 1 1 22 22 GLU CB C 22 26.613 26.613 28.815 -2.202 19431 81 1 1 . 1 1 23 23 ASP N N 23 122.549 122.549 119.255 3.294 19431 82 1 1 . 1 1 23 23 ASP HA H 23 4.658 4.658 4.607 0.051 19431 83 1 1 . 1 1 23 23 ASP CA C 23 55.053 55.053 56.985 -1.932 19431 84 1 1 . 1 1 23 23 ASP CB C 23 37.479 37.479 40.413 -2.934 19431 85 1 1 . 1 1 24 24 ILE N N 24 123.580 123.580 120.055 3.525 19431 86 1 1 . 1 1 24 24 ILE HA H 24 3.678 3.678 3.559 0.119 19431 87 1 1 . 1 1 24 24 ILE CA C 24 63.201 63.201 65.251 -2.050 19431 88 1 1 . 1 1 24 24 ILE CB C 24 35.138 35.138 37.549 -2.411 19431 89 1 1 . 1 1 25 25 GLU N N 25 120.591 120.591 119.373 1.218 19431 90 1 1 . 1 1 25 25 GLU HA H 25 3.885 3.885 3.940 -0.055 19431 91 1 1 . 1 1 25 25 GLU CA C 25 57.824 57.824 59.265 -1.441 19431 92 1 1 . 1 1 25 25 GLU CB C 25 25.883 25.883 29.501 -3.618 19431 93 1 1 . 1 1 26 26 ILE N N 26 121.350 121.350 119.341 2.009 19431 94 1 1 . 1 1 26 26 ILE HA H 26 3.718 3.718 3.727 -0.009 19431 95 1 1 . 1 1 26 26 ILE CA C 26 62.881 62.881 65.089 -2.208 19431 96 1 1 . 1 1 26 26 ILE CB C 26 35.324 35.324 37.723 -2.399 19431 97 1 1 . 1 1 27 27 ALA N N 27 120.204 120.204 121.877 -1.673 19431 98 1 1 . 1 1 28 28 GLN N N 28 114.627 114.627 116.896 -2.269 19431 99 1 1 . 1 1 28 28 GLN CB C 28 26.380 26.380 28.889 -2.509 19431 100 1 1 . 1 1 29 29 SER N N 29 115.031 115.031 112.094 2.937 19431 101 1 1 . 1 1 29 29 SER HA H 29 4.260 4.260 4.491 -0.231 19431 102 1 1 . 1 1 29 29 SER CA C 29 57.768 57.768 58.714 -0.945 19431 103 1 1 . 1 1 29 29 SER CB C 29 61.367 61.367 63.482 -2.115 19431 104 1 1 . 1 1 30 30 LYS N N 30 112.834 112.834 120.561 -7.727 19431 105 1 1 . 1 1 30 30 LYS HA H 30 4.228 4.228 3.882 0.346 19431 106 1 1 . 1 1 30 30 LYS CA C 30 56.103 56.103 57.275 -1.172 19431 107 1 1 . 1 1 30 30 LYS CB C 30 26.478 26.478 30.705 -4.227 19431 108 1 1 . 1 1 31 31 ASP N N 31 121.067 121.067 119.354 1.713 19431 109 1 1 . 1 1 31 31 ASP HA H 31 4.877 4.877 4.399 0.478 19431 110 1 1 . 1 1 31 31 ASP CA C 31 49.742 49.742 53.784 -4.042 19431 111 1 1 . 1 1 31 31 ASP CB C 31 38.652 38.652 42.159 -3.507 19431 112 1 1 . 1 1 32 32 TYR N N 32 126.671 126.671 121.011 5.660 19431 113 1 1 . 1 1 32 32 TYR HA H 32 3.311 3.311 4.290 -0.979 19431 114 1 1 . 1 1 32 32 TYR CA C 32 57.951 57.951 59.978 -2.027 19431 115 1 1 . 1 1 32 32 TYR CB C 32 36.158 36.158 38.900 -2.742 19431 116 1 1 . 1 1 33 33 GLU N N 33 115.884 115.884 119.135 -3.251 19431 117 1 1 . 1 1 33 33 GLU HA H 33 3.442 3.442 4.256 -0.814 19431 118 1 1 . 1 1 33 33 GLU CA C 33 56.757 56.757 57.770 -1.013 19431 119 1 1 . 1 1 33 33 GLU CB C 33 26.095 26.095 28.628 -2.533 19431 120 1 1 . 1 1 34 34 SER N N 34 116.060 116.060 116.460 -0.400 19431 121 1 1 . 1 1 34 34 SER HA H 34 4.026 4.026 4.246 -0.220 19431 122 1 1 . 1 1 34 34 SER CA C 34 58.953 58.953 60.752 -1.799 19431 123 1 1 . 1 1 34 34 SER CB C 34 59.683 59.683 62.661 -2.978 19431 124 1 1 . 1 1 35 35 TRP N N 35 123.977 123.977 123.562 0.415 19431 125 1 1 . 1 1 35 35 TRP CA C 35 57.894 57.894 59.519 -1.625 19431 126 1 1 . 1 1 35 35 TRP CB C 35 25.531 25.531 28.751 -3.220 19431 127 1 1 . 1 1 36 36 LYS N N 36 117.633 117.633 118.660 -1.027 19431 128 1 1 . 1 1 36 36 LYS HA H 36 3.128 3.128 3.719 -0.591 19431 129 1 1 . 1 1 36 36 LYS CA C 36 55.998 55.998 59.670 -3.672 19431 130 1 1 . 1 1 36 36 LYS CB C 36 29.304 29.304 31.876 -2.572 19431 131 1 1 . 1 1 37 37 SER N N 37 109.835 109.835 114.116 -4.281 19431 132 1 1 . 1 1 37 37 SER HA H 37 3.989 3.989 4.330 -0.341 19431 133 1 1 . 1 1 37 37 SER CA C 37 57.765 57.765 60.294 -2.529 19431 134 1 1 . 1 1 37 37 SER CB C 37 60.606 60.606 62.480 -1.874 19431 135 1 1 . 1 1 38 38 ARG N N 38 119.946 119.946 118.112 1.834 19431 136 1 1 . 1 1 38 38 ARG HA H 38 4.144 4.144 4.359 -0.215 19431 137 1 1 . 1 1 38 38 ARG CA C 38 51.208 51.208 55.437 -4.229 19431 138 1 1 . 1 1 38 38 ARG CB C 38 25.717 25.717 30.806 -5.089 19431 139 1 1 . 1 1 39 39 PHE N N 39 117.529 117.529 118.475 -0.946 19431 140 1 1 . 1 1 39 39 PHE HA H 39 4.855 4.855 4.702 0.153 19431 141 1 1 . 1 1 39 39 PHE CA C 39 54.234 54.234 57.475 -3.241 19431 142 1 1 . 1 1 39 39 PHE CB C 39 37.547 37.547 40.604 -3.057 19431 143 1 1 . 1 1 40 40 THR N N 40 113.296 113.296 110.757 2.539 19431 144 1 1 . 1 1 40 40 THR HA H 40 3.991 3.991 4.350 -0.359 19431 145 1 1 . 1 1 40 40 THR CA C 40 59.704 59.704 61.147 -1.443 19431 146 1 1 . 1 1 40 40 THR CB C 40 66.175 66.175 70.725 -4.550 19431 147 1 1 . 1 1 41 41 LYS N N 41 124.924 124.924 121.876 3.048 19431 148 1 1 . 1 1 41 41 LYS HA H 41 3.713 3.713 3.898 -0.185 19431 149 1 1 . 1 1 41 41 LYS CA C 41 57.650 57.650 60.743 -3.094 19431 150 1 1 . 1 1 41 41 LYS CB C 41 29.363 29.363 32.000 -2.637 19431 151 1 1 . 1 1 42 42 ASP N N 42 116.255 116.255 119.782 -3.527 19431 152 1 1 . 1 1 42 42 ASP HA H 42 4.343 4.343 4.369 -0.026 19431 153 1 1 . 1 1 42 42 ASP CA C 42 53.841 53.841 57.654 -3.813 19431 154 1 1 . 1 1 42 42 ASP CB C 42 37.703 37.703 40.753 -3.050 19431 155 1 1 . 1 1 43 43 LEU N N 43 119.134 119.134 119.218 -0.084 19431 156 1 1 . 1 1 43 43 LEU HA H 43 4.320 4.320 4.085 0.235 19431 157 1 1 . 1 1 43 43 LEU CA C 43 52.423 52.423 57.727 -5.304 19431 158 1 1 . 1 1 43 43 LEU CB C 43 40.023 40.023 41.635 -1.612 19431 159 1 1 . 1 1 44 44 GLN N N 44 119.455 119.455 118.256 1.199 19431 160 1 1 . 1 1 44 44 GLN HA H 44 3.466 3.466 3.837 -0.371 19431 161 1 1 . 1 1 44 44 GLN CA C 44 57.437 57.437 58.892 -1.455 19431 162 1 1 . 1 1 44 44 GLN CB C 44 25.394 25.394 28.704 -3.310 19431 163 1 1 . 1 1 45 45 SER N N 45 110.605 110.605 114.684 -4.079 19431 164 1 1 . 1 1 45 45 SER HA H 45 4.211 4.211 4.352 -0.141 19431 165 1 1 . 1 1 45 45 SER CA C 45 57.621 57.621 61.120 -3.499 19431 166 1 1 . 1 1 45 45 SER CB C 45 60.094 60.094 63.375 -3.281 19431 167 1 1 . 1 1 46 46 SER N N 46 115.075 115.075 115.392 -0.317 19431 168 1 1 . 1 1 46 46 SER HA H 46 4.473 4.473 4.577 -0.104 19431 169 1 1 . 1 1 46 46 SER CA C 46 55.739 55.739 57.992 -2.253 19431 170 1 1 . 1 1 46 46 SER CB C 46 61.628 61.628 64.111 -2.483 19431 171 1 1 . 1 1 47 47 LEU N N 47 124.984 124.984 124.549 0.435 19431 172 1 1 . 1 1 47 47 LEU HA H 47 4.334 4.334 4.198 0.136 19431 173 1 1 . 1 1 47 47 LEU CA C 47 52.040 52.040 55.675 -3.635 19431 174 1 1 . 1 1 47 47 LEU CB C 47 39.810 39.810 42.392 -2.582 19431 175 1 1 . 1 1 48 48 THR N N 48 111.152 111.152 115.013 -3.861 19431 176 1 1 . 1 1 48 48 THR HA H 48 4.665 4.665 4.442 0.223 19431 177 1 1 . 1 1 48 48 THR CA C 48 56.718 56.718 61.376 -4.658 19431 178 1 1 . 1 1 48 48 THR CB C 48 69.103 69.103 68.822 0.281 19431 179 1 1 . 1 1 49 49 GLU N N 49 124.552 124.552 126.732 -2.180 19431 180 1 1 . 1 1 49 49 GLU HA H 49 3.194 3.194 4.312 -1.118 19431 181 1 1 . 1 1 49 49 GLU CA C 49 56.770 56.770 59.783 -3.013 19431 182 1 1 . 1 1 49 49 GLU CB C 49 26.148 26.148 29.296 -3.148 19431 183 1 1 . 1 1 50 50 GLU N N 50 118.615 118.615 118.447 0.168 19431 184 1 1 . 1 1 50 50 GLU HA H 50 4.000 4.000 3.936 0.064 19431 185 1 1 . 1 1 50 50 GLU CA C 50 57.357 57.357 59.031 -1.674 19431 186 1 1 . 1 1 50 50 GLU CB C 50 26.511 26.511 29.355 -2.844 19431 187 1 1 . 1 1 51 51 SER N N 51 116.380 116.380 114.514 1.866 19431 188 1 1 . 1 1 51 51 SER HA H 51 4.256 4.256 4.355 -0.099 19431 189 1 1 . 1 1 51 51 SER CA C 51 58.825 58.825 60.834 -2.009 19431 190 1 1 . 1 1 51 51 SER CB C 51 59.884 59.884 63.004 -3.119 19431 191 1 1 . 1 1 52 52 TYR N N 52 125.611 125.611 116.425 9.186 19431 192 1 1 . 1 1 52 52 TYR CB C 52 36.647 36.647 39.104 -2.457 19431 193 1 1 . 1 1 53 53 ASP N N 53 119.653 119.653 121.039 -1.386 19431 194 1 1 . 1 1 53 53 ASP HA H 53 4.115 4.115 4.125 -0.010 19431 195 1 1 . 1 1 53 53 ASP CA C 53 54.553 54.553 57.138 -2.585 19431 196 1 1 . 1 1 53 53 ASP CB C 53 37.477 37.477 40.587 -3.110 19431 197 1 1 . 1 1 54 54 SER N N 54 114.883 114.883 115.702 -0.819 19431 198 1 1 . 1 1 54 54 SER HA H 54 3.946 3.946 4.105 -0.159 19431 199 1 1 . 1 1 54 54 SER CA C 54 59.741 59.741 61.180 -1.439 19431 200 1 1 . 1 1 54 54 SER CB C 54 59.750 59.750 63.291 -3.541 19431 201 1 1 . 1 1 55 55 TYR N N 55 123.933 123.933 122.249 1.684 19431 202 1 1 . 1 1 55 55 TYR HA H 55 4.361 4.361 4.281 0.080 19431 203 1 1 . 1 1 55 55 TYR CA C 55 57.213 57.213 61.109 -3.896 19431 204 1 1 . 1 1 55 55 TYR CB C 55 34.024 34.024 38.270 -4.246 19431 205 1 1 . 1 1 56 56 LEU N N 56 119.758 119.758 116.942 2.816 19431 206 1 1 . 1 1 56 56 LEU HA H 56 3.252 3.252 3.680 -0.428 19431 207 1 1 . 1 1 56 56 LEU CA C 56 54.681 54.681 57.160 -2.479 19431 208 1 1 . 1 1 56 56 LEU CB C 56 38.151 38.151 41.331 -3.180 19431 209 1 1 . 1 1 57 57 LYS N N 57 118.487 118.487 119.040 -0.553 19431 210 1 1 . 1 1 57 57 LYS HA H 57 3.852 3.852 4.042 -0.190 19431 211 1 1 . 1 1 57 57 LYS CA C 57 56.090 56.090 58.835 -2.745 19431 212 1 1 . 1 1 57 57 LYS CB C 57 29.683 29.683 32.337 -2.654 19431 213 1 1 . 1 1 58 58 ILE N N 58 120.887 120.887 118.865 2.022 19431 214 1 1 . 1 1 58 58 ILE HA H 58 3.591 3.591 3.727 -0.136 19431 215 1 1 . 1 1 58 58 ILE CA C 58 61.366 61.366 64.559 -3.193 19431 216 1 1 . 1 1 58 58 ILE CB C 58 35.144 35.144 37.945 -2.801 19431 217 1 1 . 1 1 59 59 LEU N N 59 122.273 122.273 121.040 1.233 19431 218 1 1 . 1 1 59 59 LEU HA H 59 3.437 3.437 3.588 -0.151 19431 219 1 1 . 1 1 59 59 LEU CA C 59 54.847 54.847 58.221 -3.374 19431 220 1 1 . 1 1 59 59 LEU CB C 59 39.071 39.071 41.300 -2.229 19431 221 1 1 . 1 1 60 60 GLU N N 60 118.591 118.591 118.404 0.187 19431 222 1 1 . 1 1 60 60 GLU HA H 60 3.810 3.810 3.977 -0.167 19431 223 1 1 . 1 1 60 60 GLU CA C 60 56.156 56.156 59.188 -3.032 19431 224 1 1 . 1 1 60 60 GLU CB C 60 26.820 26.820 29.424 -2.604 19431 225 1 1 . 1 1 61 61 LYS N N 61 115.698 115.698 118.240 -2.542 19431 226 1 1 . 1 1 61 61 LYS HA H 61 4.029 4.029 4.232 -0.203 19431 227 1 1 . 1 1 61 61 LYS CA C 61 54.164 54.164 57.315 -3.151 19431 228 1 1 . 1 1 61 61 LYS CB C 61 29.581 29.581 32.532 -2.951 19431 229 1 1 . 1 1 62 62 GLN N N 62 114.863 114.863 116.827 -1.964 19431 230 1 1 . 1 1 62 62 GLN HA H 62 3.851 3.851 4.324 -0.473 19431 231 1 1 . 1 1 62 62 GLN CA C 62 52.258 52.258 55.159 -2.901 19431 232 1 1 . 1 1 62 62 GLN CB C 62 25.186 25.186 29.309 -4.123 19431 233 1 1 . 1 1 63 63 GLY N N 63 101.724 101.724 107.448 -5.724 19431 234 1 1 . 1 1 63 63 GLY CA C 63 41.815 41.815 44.506 -2.691 19431 235 1 1 . 1 1 64 64 GLU N N 64 118.731 118.731 121.346 -2.615 19431 236 1 1 . 1 1 64 64 GLU HA H 64 4.137 4.137 4.729 -0.592 19431 237 1 1 . 1 1 64 64 GLU CA C 64 54.598 54.598 54.383 0.215 19431 238 1 1 . 1 1 64 64 GLU CB C 64 28.312 28.312 31.483 -3.171 19431 239 1 1 . 1 1 65 65 PHE N N 65 123.366 123.366 126.207 -2.841 19431 240 1 1 . 1 1 65 65 PHE HA H 65 3.825 3.825 3.785 0.040 19431 241 1 1 . 1 1 65 65 PHE CA C 65 57.419 57.419 59.207 -1.788 19431 242 1 1 . 1 1 65 65 PHE CB C 65 36.666 36.666 39.215 -2.550 19431 243 1 1 . 1 1 66 66 LYS N N 66 125.336 125.336 125.122 0.214 19431 244 1 1 . 1 1 66 66 LYS HA H 66 4.168 4.168 4.023 0.145 19431 245 1 1 . 1 1 66 66 LYS CA C 66 53.226 53.226 55.868 -2.642 19431 246 1 1 . 1 1 66 66 LYS CB C 66 30.293 30.293 34.673 -4.380 19431 247 1 1 . 1 1 67 67 GLU N N 67 112.076 112.076 116.828 -4.752 19431 248 1 1 . 1 1 67 67 GLU HA H 67 4.069 4.069 4.017 0.052 19431 249 1 1 . 1 1 67 67 GLU CA C 67 52.907 52.907 55.620 -2.713 19431 250 1 1 . 1 1 67 67 GLU CB C 67 29.378 29.378 32.206 -2.828 19431 251 1 1 . 1 1 68 68 PHE N N 68 118.706 118.706 119.435 -0.729 19431 252 1 1 . 1 1 68 68 PHE CB C 68 38.408 38.408 41.199 -2.791 19431 253 1 1 . 1 1 69 69 GLY N N 69 112.889 112.889 109.684 3.205 19431 254 1 1 . 1 1 69 69 GLY CA C 69 41.353 41.353 44.542 -3.189 19431 255 1 1 . 1 1 70 70 LYS N N 70 122.409 122.409 120.665 1.744 19431 256 1 1 . 1 1 70 70 LYS HA H 70 4.085 4.085 4.471 -0.386 19431 257 1 1 . 1 1 70 70 LYS CA C 70 54.418 54.418 57.079 -2.661 19431 258 1 1 . 1 1 70 70 LYS CB C 70 31.197 31.197 33.508 -2.311 19431 259 1 1 . 1 1 71 71 CYS N N 71 118.509 118.509 123.568 -5.059 19431 260 1 1 . 1 1 71 71 CYS HA H 71 5.332 5.332 5.609 -0.277 19431 261 1 1 . 1 1 71 71 CYS CA C 71 54.655 54.655 56.009 -1.354 19431 262 1 1 . 1 1 71 71 CYS CB C 71 28.223 28.223 28.121 0.102 19431 263 1 1 . 1 1 72 72 THR N N 72 120.129 120.129 121.015 -0.886 19431 264 1 1 . 1 1 72 72 THR HA H 72 4.272 4.272 4.320 -0.048 19431 265 1 1 . 1 1 72 72 THR CA C 72 58.652 58.652 61.446 -2.794 19431 266 1 1 . 1 1 72 72 THR CB C 72 68.199 68.199 70.088 -1.889 19431 267 1 1 . 1 1 73 73 TYR N N 73 122.772 122.772 125.076 -2.304 19431 268 1 1 . 1 1 73 73 TYR HA H 73 5.034 5.034 4.743 0.291 19431 269 1 1 . 1 1 73 73 TYR CA C 73 55.497 55.497 57.560 -2.063 19431 270 1 1 . 1 1 73 73 TYR CB C 73 38.271 38.271 39.648 -1.377 19431 271 1 1 . 1 1 74 74 LEU N N 74 117.980 117.980 120.391 -2.411 19431 272 1 1 . 1 1 74 74 LEU HA H 74 4.466 4.466 4.590 -0.123 19431 273 1 1 . 1 1 74 74 LEU CA C 74 51.805 51.805 53.394 -1.589 19431 274 1 1 . 1 1 74 74 LEU CB C 74 42.030 42.030 44.159 -2.129 19431 275 1 1 . 1 1 75 75 GLY N N 75 105.257 105.257 107.891 -2.634 19431 276 1 1 . 1 1 75 75 GLY CA C 75 42.799 42.799 44.429 -1.631 19431 277 1 1 . 1 1 76 76 GLN N N 76 119.071 119.071 117.137 1.934 19431 278 1 1 . 1 1 76 76 GLN HA H 76 4.938 4.938 4.868 0.070 19431 279 1 1 . 1 1 76 76 GLN CA C 76 52.495 52.495 55.041 -2.546 19431 280 1 1 . 1 1 76 76 GLN CB C 76 30.498 30.498 32.383 -1.885 19431 281 1 1 . 1 1 77 77 ILE N N 77 123.550 123.550 122.893 0.657 19431 282 1 1 . 1 1 77 77 ILE HA H 77 4.992 4.992 5.139 -0.147 19431 283 1 1 . 1 1 77 77 ILE CA C 77 57.239 57.239 60.178 -2.939 19431 284 1 1 . 1 1 77 77 ILE CB C 77 36.664 36.664 39.410 -2.746 19431 285 1 1 . 1 1 78 78 LYS N N 78 127.532 127.532 127.007 0.525 19431 286 1 1 . 1 1 78 78 LYS HA H 78 4.585 4.585 4.079 0.506 19431 287 1 1 . 1 1 78 78 LYS CA C 78 52.768 52.768 58.847 -6.079 19431 288 1 1 . 1 1 78 78 LYS CB C 78 32.536 32.536 32.971 -0.435 19431 289 1 1 . 1 1 79 79 ASP N N 79 128.019 128.019 115.531 12.488 19431 290 1 1 . 1 1 79 79 ASP HA H 79 4.168 4.168 4.701 -0.533 19431 291 1 1 . 1 1 79 79 ASP CA C 79 53.258 53.258 55.687 -2.429 19431 292 1 1 . 1 1 79 79 ASP CB C 79 36.826 36.826 41.892 -5.066 19431 293 1 1 . 1 1 80 80 ASN N N 80 110.608 110.608 115.874 -5.266 19431 294 1 1 . 1 1 80 80 ASN HA H 80 4.168 4.168 4.727 -0.559 19431 295 1 1 . 1 1 80 80 ASN CA C 80 51.912 51.912 53.036 -1.124 19431 296 1 1 . 1 1 80 80 ASN CB C 80 35.506 35.506 39.402 -3.896 19431 297 1 1 . 1 1 81 81 LYS N N 81 121.116 121.116 121.527 -0.411 19431 298 1 1 . 1 1 81 81 LYS HA H 81 4.482 4.482 4.414 0.068 19431 299 1 1 . 1 1 81 81 LYS CA C 81 52.353 52.353 54.782 -2.429 19431 300 1 1 . 1 1 81 81 LYS CB C 81 32.119 32.119 33.339 -1.220 19431 301 1 1 . 1 1 82 82 LYS N N 82 119.259 119.259 124.514 -5.255 19431 302 1 1 . 1 1 82 82 LYS HA H 82 4.765 4.765 5.049 -0.284 19431 303 1 1 . 1 1 82 82 LYS CA C 82 52.722 52.722 55.741 -3.019 19431 304 1 1 . 1 1 82 82 LYS CB C 82 32.934 32.934 34.943 -2.009 19431 305 1 1 . 1 1 83 83 TYR N N 83 118.176 118.176 120.205 -2.029 19431 306 1 1 . 1 1 83 83 TYR HA H 83 5.275 5.275 5.009 0.266 19431 307 1 1 . 1 1 83 83 TYR CA C 83 53.383 53.383 56.469 -3.086 19431 308 1 1 . 1 1 83 83 TYR CB C 83 38.026 38.026 43.328 -5.302 19431 309 1 1 . 1 1 84 84 GLY N N 84 111.686 111.686 107.491 4.195 19431 310 1 1 . 1 1 84 84 GLY CA C 84 41.219 41.219 43.279 -2.060 19431 311 1 1 . 1 1 85 85 GLY N N 85 111.232 111.232 109.537 1.695 19431 312 1 1 . 1 1 85 85 GLY CA C 85 42.272 42.272 42.960 -0.688 19431 313 1 1 . 1 1 86 86 VAL N N 86 115.256 115.256 121.248 -5.992 19431 314 1 1 . 1 1 86 86 VAL HA H 86 5.127 5.127 4.632 0.495 19431 315 1 1 . 1 1 86 86 VAL CA C 86 55.741 55.741 60.987 -5.246 19431 316 1 1 . 1 1 86 86 VAL CB C 86 33.129 33.129 35.481 -2.352 19431 317 1 1 . 1 1 87 87 ILE N N 87 125.124 125.124 130.972 -5.848 19431 318 1 1 . 1 1 87 87 ILE HA H 87 5.206 5.206 4.365 0.841 19431 319 1 1 . 1 1 87 87 ILE CA C 87 57.168 57.168 61.071 -3.903 19431 320 1 1 . 1 1 87 87 ILE CB C 87 36.590 36.590 37.291 -0.701 19431 321 1 1 . 1 1 88 88 ILE N N 88 128.056 128.056 129.036 -0.980 19431 322 1 1 . 1 1 88 88 ILE HA H 88 5.146 5.146 4.558 0.588 19431 323 1 1 . 1 1 88 88 ILE CA C 88 55.356 55.356 59.544 -4.188 19431 324 1 1 . 1 1 88 88 ILE CB C 88 39.847 39.847 38.945 0.902 19431 325 1 1 . 1 1 89 89 VAL N N 89 128.326 128.326 130.482 -2.156 19431 326 1 1 . 1 1 89 89 VAL HA H 89 4.387 4.387 4.031 0.356 19431 327 1 1 . 1 1 89 89 VAL CA C 89 59.839 59.839 63.660 -3.821 19431 328 1 1 . 1 1 89 89 VAL CB C 89 30.295 30.295 32.104 -1.809 19431 329 1 1 . 1 1 90 90 VAL N N 90 128.738 128.738 128.392 0.346 19431 330 1 1 . 1 1 90 90 VAL HA H 90 4.207 4.207 4.744 -0.537 19431 331 1 1 . 1 1 90 90 VAL CA C 90 59.722 59.722 61.047 -1.325 19431 332 1 1 . 1 1 90 90 VAL CB C 90 31.537 31.537 34.347 -2.810 19431 333 1 1 . 1 1 91 91 LYS N N 91 126.004 126.004 126.977 -0.973 19431 334 1 1 . 1 1 91 91 LYS HA H 91 4.629 4.629 4.667 -0.038 19431 335 1 1 . 1 1 91 91 LYS CA C 91 52.972 52.972 55.080 -2.108 19431 336 1 1 . 1 1 91 91 LYS CB C 91 30.789 30.789 31.715 -0.926 19431 337 1 1 . 1 1 92 92 TYR N N 92 123.932 123.932 124.302 -0.370 19431 338 1 1 . 1 1 92 92 TYR HA H 92 4.940 4.940 4.351 0.589 19431 339 1 1 . 1 1 92 92 TYR CA C 92 53.905 53.905 59.959 -6.054 19431 340 1 1 . 1 1 92 92 TYR CB C 92 39.331 39.331 39.336 -0.004 19431 341 1 1 . 1 1 93 93 GLU N N 93 122.195 122.195 119.309 2.886 19431 342 1 1 . 1 1 93 93 GLU HA H 93 3.834 3.834 4.048 -0.214 19431 343 1 1 . 1 1 93 93 GLU CA C 93 57.465 57.465 58.944 -1.479 19431 344 1 1 . 1 1 93 93 GLU CB C 93 28.695 28.695 30.225 -1.530 19431 345 1 1 . 1 1 94 94 GLU N N 94 110.219 110.219 114.923 -4.704 19431 346 1 1 . 1 1 94 94 GLU HA H 94 4.440 4.440 4.603 -0.163 19431 347 1 1 . 1 1 94 94 GLU CA C 94 52.555 52.555 55.775 -3.220 19431 348 1 1 . 1 1 94 94 GLU CB C 94 26.861 26.861 31.531 -4.670 19431 349 1 1 . 1 1 95 95 GLY N N 95 106.566 106.566 107.457 -0.891 19431 350 1 1 . 1 1 95 95 GLY CA C 95 42.542 42.542 45.623 -3.081 19431 351 1 1 . 1 1 96 96 ASN N N 96 116.707 116.707 121.248 -4.541 19431 352 1 1 . 1 1 96 96 ASN HA H 96 5.720 5.720 5.715 0.005 19431 353 1 1 . 1 1 96 96 ASN CA C 96 49.003 49.003 52.039 -3.036 19431 354 1 1 . 1 1 96 96 ASN CB C 96 37.602 37.602 40.162 -2.560 19431 355 1 1 . 1 1 97 97 VAL N N 97 122.002 122.002 123.768 -1.766 19431 356 1 1 . 1 1 97 97 VAL HA H 97 4.117 4.117 4.109 0.008 19431 357 1 1 . 1 1 97 97 VAL CA C 97 58.404 58.404 61.095 -2.691 19431 358 1 1 . 1 1 97 97 VAL CB C 97 33.456 33.456 31.701 1.756 19431 359 1 1 . 1 1 98 98 ASN N N 98 124.376 124.376 127.128 -2.752 19431 360 1 1 . 1 1 98 98 ASN HA H 98 5.135 5.135 4.773 0.362 19431 361 1 1 . 1 1 98 98 ASN CA C 98 48.630 48.630 52.614 -3.984 19431 362 1 1 . 1 1 98 98 ASN CB C 98 36.031 36.031 38.196 -2.165 19431 363 1 1 . 1 1 99 99 TYR N N 99 123.932 123.932 124.509 -0.577 19431 364 1 1 . 1 1 99 99 TYR HA H 99 4.640 4.640 4.550 0.090 19431 365 1 1 . 1 1 99 99 TYR CA C 99 55.468 55.468 58.411 -2.943 19431 366 1 1 . 1 1 99 99 TYR CB C 99 38.122 38.122 37.209 0.913 19431 367 1 1 . 1 1 100 100 SER N N 100 115.327 115.327 120.763 -5.436 19431 368 1 1 . 1 1 100 100 SER HA H 100 5.242 5.242 4.809 0.433 19431 369 1 1 . 1 1 100 100 SER CA C 100 53.767 53.767 57.924 -4.157 19431 370 1 1 . 1 1 100 100 SER CB C 100 60.649 60.649 62.851 -2.202 19431 371 1 1 . 1 1 101 101 LEU N N 101 130.521 130.521 128.481 2.040 19431 372 1 1 . 1 1 101 101 LEU HA H 101 4.978 4.978 5.298 -0.320 19431 373 1 1 . 1 1 101 101 LEU CA C 101 51.756 51.756 53.514 -1.758 19431 374 1 1 . 1 1 101 101 LEU CB C 101 42.765 42.765 45.017 -2.252 19431 375 1 1 . 1 1 102 102 ALA N N 102 121.373 121.373 124.324 -2.951 19431 376 1 1 . 1 1 102 102 ALA HA H 102 4.994 4.994 5.125 -0.131 19431 377 1 1 . 1 1 102 102 ALA CA C 102 48.505 48.505 50.803 -2.298 19431 378 1 1 . 1 1 102 102 ALA CB C 102 19.355 19.355 22.873 -3.518 19431 379 1 1 . 1 1 103 103 TYR N N 103 120.633 120.633 117.331 3.302 19431 380 1 1 . 1 1 103 103 TYR HA H 103 5.311 5.311 5.457 -0.146 19431 381 1 1 . 1 1 103 103 TYR CA C 103 55.519 55.519 55.977 -0.458 19431 382 1 1 . 1 1 103 103 TYR CB C 103 42.037 42.037 40.240 1.797 19431 383 1 1 . 1 1 104 104 ASP N N 104 118.129 118.129 119.533 -1.404 19431 384 1 1 . 1 1 104 104 ASP HA H 104 5.163 5.163 4.480 0.683 19431 385 1 1 . 1 1 104 104 ASP CA C 104 49.372 49.372 52.792 -3.420 19431 386 1 1 . 1 1 104 104 ASP CB C 104 39.054 39.054 42.162 -3.108 19431 387 1 1 . 1 1 105 105 GLU N N 105 115.031 115.031 118.130 -3.099 19431 388 1 1 . 1 1 105 105 GLU HA H 105 3.624 3.624 4.334 -0.710 19431 389 1 1 . 1 1 105 105 GLU CA C 105 55.976 55.976 58.497 -2.521 19431 390 1 1 . 1 1 105 105 GLU CB C 105 27.111 27.111 29.671 -2.560 19431 391 1 1 . 1 1 106 106 ASP N N 106 119.038 119.038 117.847 1.191 19431 392 1 1 . 1 1 107 107 MET N N 107 111.995 111.995 113.071 -1.076 19431 393 1 1 . 1 1 107 107 MET HA H 107 4.343 4.343 4.138 0.205 19431 394 1 1 . 1 1 107 107 MET CA C 107 51.671 51.671 54.833 -3.162 19431 395 1 1 . 1 1 107 107 MET CB C 107 21.629 21.629 34.855 -13.226 19431 396 1 1 . 1 1 108 108 ASN N N 108 117.079 117.079 121.196 -4.117 19431 397 1 1 . 1 1 108 108 ASN HA H 108 5.111 5.111 5.043 0.068 19431 398 1 1 . 1 1 108 108 ASN CA C 108 49.519 49.519 52.626 -3.107 19431 399 1 1 . 1 1 108 108 ASN CB C 108 37.221 37.221 39.163 -1.942 19431 400 1 1 . 1 1 109 109 LEU N N 109 122.211 122.211 124.972 -2.761 19431 401 1 1 . 1 1 109 109 LEU HA H 109 4.020 4.020 4.183 -0.163 19431 402 1 1 . 1 1 109 109 LEU CA C 109 52.898 52.898 55.613 -2.715 19431 403 1 1 . 1 1 109 109 LEU CB C 109 40.774 40.774 38.699 2.075 19431 404 1 1 . 1 1 110 110 VAL N N 110 109.806 109.806 127.465 -17.659 19431 405 1 1 . 1 1 110 110 VAL HA H 110 4.551 4.551 4.289 0.262 19431 406 1 1 . 1 1 110 110 VAL CA C 110 57.276 57.276 62.683 -5.407 19431 407 1 1 . 1 1 110 110 VAL CB C 110 30.242 30.242 33.689 -3.447 19431 408 1 1 . 1 1 111 111 SER N N 111 113.487 113.487 115.024 -1.537 19431 409 1 1 . 1 1 111 111 SER HA H 111 4.476 4.476 4.715 -0.239 19431 410 1 1 . 1 1 111 111 SER CA C 111 55.637 55.637 58.500 -2.863 19431 411 1 1 . 1 1 111 111 SER CB C 111 61.288 61.288 64.789 -3.501 19431 412 1 1 . 1 1 112 112 PHE N N 112 126.988 126.988 127.588 -0.600 19431 413 1 1 . 1 1 112 112 PHE HA H 112 4.991 4.991 5.082 -0.091 19431 414 1 1 . 1 1 112 112 PHE CA C 112 55.305 55.305 57.049 -1.744 19431 415 1 1 . 1 1 112 112 PHE CB C 112 40.128 40.128 41.365 -1.237 19431 416 1 1 . 1 1 113 113 THR N N 113 120.333 120.333 122.266 -1.933 19431 417 1 1 . 1 1 113 113 THR HA H 113 4.775 4.775 4.635 0.140 19431 418 1 1 . 1 1 113 113 THR CA C 113 57.888 57.888 60.481 -2.593 19431 419 1 1 . 1 1 113 113 THR CB C 113 69.193 69.193 71.489 -2.296 19431 420 1 2 . 1 1 2 2 GLU HA H 2 4.446 4.446 4.469 -0.023 19431 421 1 2 . 1 1 2 2 GLU CA C 2 53.359 53.359 55.634 -2.275 19431 422 1 2 . 1 1 2 2 GLU CB C 2 29.108 29.108 31.383 -2.275 19431 423 1 2 . 1 1 3 3 ILE N N 3 123.144 123.144 122.713 0.431 19431 424 1 2 . 1 1 3 3 ILE HA H 3 4.358 4.358 4.338 0.020 19431 425 1 2 . 1 1 3 3 ILE CA C 3 57.727 57.727 59.964 -2.237 19431 426 1 2 . 1 1 3 3 ILE CB C 3 35.665 35.665 38.056 -2.391 19431 427 1 2 . 1 1 4 4 LEU N N 4 127.461 127.461 129.059 -1.598 19431 428 1 2 . 1 1 4 4 LEU HA H 4 4.554 4.554 4.403 0.151 19431 429 1 2 . 1 1 4 4 LEU CA C 4 51.011 51.011 55.354 -4.343 19431 430 1 2 . 1 1 4 4 LEU CB C 4 41.209 41.209 42.781 -1.571 19431 431 1 2 . 1 1 5 5 LYS N N 5 121.611 121.611 119.696 1.915 19431 432 1 2 . 1 1 5 5 LYS HA H 5 4.436 4.436 4.288 0.148 19431 433 1 2 . 1 1 5 5 LYS CA C 5 53.150 53.150 56.583 -3.433 19431 434 1 2 . 1 1 5 5 LYS CB C 5 29.359 29.359 31.864 -2.505 19431 435 1 2 . 1 1 6 6 GLU N N 6 115.825 115.825 114.242 1.583 19431 436 1 2 . 1 1 6 6 GLU HA H 6 4.269 4.269 4.510 -0.241 19431 437 1 2 . 1 1 6 6 GLU CA C 6 51.331 51.331 54.971 -3.640 19431 438 1 2 . 1 1 6 6 GLU CB C 6 29.583 29.583 31.167 -1.584 19431 439 1 2 . 1 1 7 7 LEU N N 7 118.967 118.967 122.278 -3.311 19431 440 1 2 . 1 1 7 7 LEU HA H 7 4.311 4.311 4.710 -0.399 19431 441 1 2 . 1 1 7 7 LEU CA C 7 50.182 50.182 52.892 -2.710 19431 442 1 2 . 1 1 7 7 LEU CB C 7 39.422 39.422 41.712 -2.290 19431 443 1 2 . 1 1 8 8 PRO HA H 8 4.432 4.432 4.591 -0.159 19431 444 1 2 . 1 1 8 8 PRO CA C 8 59.119 59.119 62.175 -3.057 19431 445 1 2 . 1 1 8 8 PRO CB C 8 29.306 29.306 32.392 -3.086 19431 446 1 2 . 1 1 9 9 GLU N N 9 121.059 121.059 117.411 3.648 19431 447 1 2 . 1 1 9 9 GLU HA H 9 4.033 4.033 4.090 -0.057 19431 448 1 2 . 1 1 9 9 GLU CA C 9 55.281 55.281 56.542 -1.261 19431 449 1 2 . 1 1 9 9 GLU CB C 9 26.864 26.864 29.444 -2.580 19431 450 1 2 . 1 1 10 10 GLY N N 10 112.279 112.279 108.475 3.804 19431 451 1 2 . 1 1 10 10 GLY CA C 10 42.029 42.029 45.121 -3.092 19431 452 1 2 . 1 1 11 11 PHE N N 11 117.612 117.612 119.334 -1.722 19431 453 1 2 . 1 1 11 11 PHE HA H 11 4.660 4.660 4.866 -0.206 19431 454 1 2 . 1 1 11 11 PHE CA C 11 54.280 54.280 56.034 -1.754 19431 455 1 2 . 1 1 11 11 PHE CB C 11 39.721 39.721 41.026 -1.305 19431 456 1 2 . 1 1 12 12 ASP N N 12 121.568 121.568 119.716 1.852 19431 457 1 2 . 1 1 12 12 ASP HA H 12 4.875 4.875 4.811 0.064 19431 458 1 2 . 1 1 12 12 ASP CA C 12 49.676 49.676 53.065 -3.389 19431 459 1 2 . 1 1 12 12 ASP CB C 12 42.307 42.307 43.752 -1.445 19431 460 1 2 . 1 1 13 13 LYS N N 13 125.770 125.770 124.824 0.946 19431 461 1 2 . 1 1 13 13 LYS HA H 13 3.294 3.294 3.499 -0.205 19431 462 1 2 . 1 1 13 13 LYS CA C 13 58.046 58.046 59.320 -1.274 19431 463 1 2 . 1 1 13 13 LYS CB C 13 30.216 30.216 32.436 -2.220 19431 464 1 2 . 1 1 14 14 GLU N N 14 118.590 118.590 117.579 1.011 19431 465 1 2 . 1 1 14 14 GLU HA H 14 4.090 4.090 4.387 -0.297 19431 466 1 2 . 1 1 14 14 GLU CA C 14 56.364 56.364 58.653 -2.289 19431 467 1 2 . 1 1 14 14 GLU CB C 14 26.479 26.479 29.570 -3.091 19431 468 1 2 . 1 1 15 15 THR N N 15 118.372 118.372 118.304 0.068 19431 469 1 2 . 1 1 15 15 THR HA H 15 3.737 3.737 4.061 -0.324 19431 470 1 2 . 1 1 15 15 THR CA C 15 63.974 63.974 66.903 -2.929 19431 471 1 2 . 1 1 15 15 THR CB C 15 65.565 65.565 69.032 -3.467 19431 472 1 2 . 1 1 16 16 VAL N N 16 121.083 121.083 121.930 -0.847 19431 473 1 2 . 1 1 16 16 VAL HA H 16 3.329 3.329 4.085 -0.755 19431 474 1 2 . 1 1 16 16 VAL CA C 16 64.214 64.214 66.635 -2.421 19431 475 1 2 . 1 1 16 16 VAL CB C 16 29.011 29.011 31.705 -2.694 19431 476 1 2 . 1 1 17 17 ARG N N 17 119.409 119.409 119.684 -0.275 19431 477 1 2 . 1 1 17 17 ARG HA H 17 3.737 3.737 4.068 -0.331 19431 478 1 2 . 1 1 17 17 ARG CA C 17 58.049 58.049 59.395 -1.346 19431 479 1 2 . 1 1 17 17 ARG CB C 17 27.401 27.401 30.198 -2.797 19431 480 1 2 . 1 1 18 18 LYS N N 18 116.168 116.168 118.694 -2.526 19431 481 1 2 . 1 1 18 18 LYS HA H 18 3.800 3.800 3.984 -0.184 19431 482 1 2 . 1 1 18 18 LYS CA C 18 57.031 57.031 59.468 -2.437 19431 483 1 2 . 1 1 18 18 LYS CB C 18 29.801 29.801 32.220 -2.419 19431 484 1 2 . 1 1 19 19 GLN N N 19 120.008 120.008 118.336 1.672 19431 485 1 2 . 1 1 19 19 GLN HA H 19 3.767 3.767 4.051 -0.284 19431 486 1 2 . 1 1 19 19 GLN CA C 19 54.492 54.492 58.149 -3.657 19431 487 1 2 . 1 1 19 19 GLN CB C 19 26.490 26.490 28.250 -1.760 19431 488 1 2 . 1 1 20 20 ALA N N 20 122.405 122.405 120.716 1.689 19431 489 1 2 . 1 1 20 20 ALA HA H 20 4.404 4.404 4.373 0.031 19431 490 1 2 . 1 1 20 20 ALA CA C 20 52.036 52.036 54.410 -2.374 19431 491 1 2 . 1 1 20 20 ALA CB C 20 16.407 16.407 18.267 -1.860 19431 492 1 2 . 1 1 21 21 MET N N 21 115.042 115.042 118.216 -3.174 19431 493 1 2 . 1 1 21 21 MET HA H 21 3.354 3.354 3.519 -0.165 19431 494 1 2 . 1 1 21 21 MET CA C 21 56.861 56.861 58.922 -2.061 19431 495 1 2 . 1 1 21 21 MET CB C 21 30.538 30.538 32.256 -1.718 19431 496 1 2 . 1 1 22 22 GLU N N 22 118.882 118.882 118.910 -0.028 19431 497 1 2 . 1 1 22 22 GLU HA H 22 3.923 3.923 4.237 -0.314 19431 498 1 2 . 1 1 22 22 GLU CA C 22 56.675 56.675 58.941 -2.266 19431 499 1 2 . 1 1 22 22 GLU CB C 22 26.613 26.613 28.891 -2.278 19431 500 1 2 . 1 1 23 23 ASP N N 23 122.549 122.549 119.833 2.716 19431 501 1 2 . 1 1 23 23 ASP HA H 23 4.658 4.658 4.149 0.509 19431 502 1 2 . 1 1 23 23 ASP CA C 23 55.053 55.053 57.105 -2.052 19431 503 1 2 . 1 1 23 23 ASP CB C 23 37.479 37.479 40.351 -2.872 19431 504 1 2 . 1 1 24 24 ILE N N 24 123.580 123.580 118.996 4.584 19431 505 1 2 . 1 1 24 24 ILE HA H 24 3.678 3.678 3.578 0.100 19431 506 1 2 . 1 1 24 24 ILE CA C 24 63.201 63.201 64.909 -1.708 19431 507 1 2 . 1 1 24 24 ILE CB C 24 35.138 35.138 37.648 -2.510 19431 508 1 2 . 1 1 25 25 GLU N N 25 120.591 120.591 119.465 1.126 19431 509 1 2 . 1 1 25 25 GLU HA H 25 3.885 3.885 4.017 -0.132 19431 510 1 2 . 1 1 25 25 GLU CA C 25 57.824 57.824 59.508 -1.684 19431 511 1 2 . 1 1 25 25 GLU CB C 25 25.883 25.883 29.291 -3.408 19431 512 1 2 . 1 1 26 26 ILE N N 26 121.350 121.350 118.220 3.130 19431 513 1 2 . 1 1 26 26 ILE HA H 26 3.718 3.718 3.798 -0.080 19431 514 1 2 . 1 1 26 26 ILE CA C 26 62.881 62.881 64.445 -1.565 19431 515 1 2 . 1 1 26 26 ILE CB C 26 35.324 35.324 37.463 -2.139 19431 516 1 2 . 1 1 27 27 ALA N N 27 120.204 120.204 121.914 -1.710 19431 517 1 2 . 1 1 28 28 GLN N N 28 114.627 114.627 117.534 -2.907 19431 518 1 2 . 1 1 28 28 GLN CB C 28 26.380 26.380 28.383 -2.003 19431 519 1 2 . 1 1 29 29 SER N N 29 115.031 115.031 114.223 0.808 19431 520 1 2 . 1 1 29 29 SER HA H 29 4.260 4.260 4.520 -0.260 19431 521 1 2 . 1 1 29 29 SER CA C 29 57.768 57.768 58.795 -1.027 19431 522 1 2 . 1 1 29 29 SER CB C 29 61.367 61.367 63.646 -2.279 19431 523 1 2 . 1 1 30 30 LYS N N 30 112.834 112.834 120.852 -8.018 19431 524 1 2 . 1 1 30 30 LYS HA H 30 4.228 4.228 3.957 0.271 19431 525 1 2 . 1 1 30 30 LYS CA C 30 56.103 56.103 57.166 -1.063 19431 526 1 2 . 1 1 30 30 LYS CB C 30 26.478 26.478 30.509 -4.030 19431 527 1 2 . 1 1 31 31 ASP N N 31 121.067 121.067 119.945 1.122 19431 528 1 2 . 1 1 31 31 ASP HA H 31 4.877 4.877 4.439 0.438 19431 529 1 2 . 1 1 31 31 ASP CA C 31 49.742 49.742 54.562 -4.819 19431 530 1 2 . 1 1 31 31 ASP CB C 31 38.652 38.652 41.684 -3.032 19431 531 1 2 . 1 1 32 32 TYR N N 32 126.671 126.671 121.796 4.875 19431 532 1 2 . 1 1 32 32 TYR HA H 32 3.311 3.311 4.332 -1.021 19431 533 1 2 . 1 1 32 32 TYR CA C 32 57.951 57.951 59.669 -1.718 19431 534 1 2 . 1 1 32 32 TYR CB C 32 36.158 36.158 39.044 -2.886 19431 535 1 2 . 1 1 33 33 GLU N N 33 115.884 115.884 118.981 -3.097 19431 536 1 2 . 1 1 33 33 GLU HA H 33 3.442 3.442 4.242 -0.800 19431 537 1 2 . 1 1 33 33 GLU CA C 33 56.757 56.757 58.599 -1.842 19431 538 1 2 . 1 1 33 33 GLU CB C 33 26.095 26.095 28.608 -2.513 19431 539 1 2 . 1 1 34 34 SER N N 34 116.060 116.060 116.135 -0.075 19431 540 1 2 . 1 1 34 34 SER HA H 34 4.026 4.026 4.252 -0.226 19431 541 1 2 . 1 1 34 34 SER CA C 34 58.953 58.953 60.776 -1.823 19431 542 1 2 . 1 1 34 34 SER CB C 34 59.683 59.683 63.070 -3.387 19431 543 1 2 . 1 1 35 35 TRP N N 35 123.977 123.977 122.195 1.782 19431 544 1 2 . 1 1 35 35 TRP CA C 35 57.894 57.894 59.120 -1.226 19431 545 1 2 . 1 1 35 35 TRP CB C 35 25.531 25.531 29.645 -4.114 19431 546 1 2 . 1 1 36 36 LYS N N 36 117.633 117.633 120.391 -2.758 19431 547 1 2 . 1 1 36 36 LYS HA H 36 3.128 3.128 4.059 -0.931 19431 548 1 2 . 1 1 36 36 LYS CA C 36 55.998 55.998 60.346 -4.348 19431 549 1 2 . 1 1 36 36 LYS CB C 36 29.304 29.304 32.350 -3.046 19431 550 1 2 . 1 1 37 37 SER N N 37 109.835 109.835 112.055 -2.220 19431 551 1 2 . 1 1 37 37 SER HA H 37 3.989 3.989 4.350 -0.361 19431 552 1 2 . 1 1 37 37 SER CA C 37 57.765 57.765 60.228 -2.463 19431 553 1 2 . 1 1 37 37 SER CB C 37 60.606 60.606 62.754 -2.148 19431 554 1 2 . 1 1 38 38 ARG N N 38 119.946 119.946 119.653 0.293 19431 555 1 2 . 1 1 38 38 ARG HA H 38 4.144 4.144 4.359 -0.215 19431 556 1 2 . 1 1 38 38 ARG CA C 38 51.208 51.208 56.189 -4.981 19431 557 1 2 . 1 1 38 38 ARG CB C 38 25.717 25.717 31.017 -5.300 19431 558 1 2 . 1 1 39 39 PHE N N 39 117.529 117.529 117.385 0.144 19431 559 1 2 . 1 1 39 39 PHE HA H 39 4.855 4.855 4.831 0.024 19431 560 1 2 . 1 1 39 39 PHE CA C 39 54.234 54.234 57.647 -3.413 19431 561 1 2 . 1 1 39 39 PHE CB C 39 37.547 37.547 41.220 -3.673 19431 562 1 2 . 1 1 40 40 THR N N 40 113.296 113.296 113.313 -0.017 19431 563 1 2 . 1 1 40 40 THR HA H 40 3.991 3.991 4.457 -0.466 19431 564 1 2 . 1 1 40 40 THR CA C 40 59.704 59.704 61.180 -1.476 19431 565 1 2 . 1 1 40 40 THR CB C 40 66.175 66.175 70.370 -4.195 19431 566 1 2 . 1 1 41 41 LYS N N 41 124.924 124.924 121.692 3.232 19431 567 1 2 . 1 1 41 41 LYS HA H 41 3.713 3.713 3.966 -0.253 19431 568 1 2 . 1 1 41 41 LYS CA C 41 57.650 57.650 59.942 -2.292 19431 569 1 2 . 1 1 41 41 LYS CB C 41 29.363 29.363 31.532 -2.169 19431 570 1 2 . 1 1 42 42 ASP N N 42 116.255 116.255 118.780 -2.525 19431 571 1 2 . 1 1 42 42 ASP HA H 42 4.343 4.343 4.398 -0.055 19431 572 1 2 . 1 1 42 42 ASP CA C 42 53.841 53.841 57.440 -3.599 19431 573 1 2 . 1 1 42 42 ASP CB C 42 37.703 37.703 40.914 -3.211 19431 574 1 2 . 1 1 43 43 LEU N N 43 119.134 119.134 118.890 0.244 19431 575 1 2 . 1 1 43 43 LEU HA H 43 4.320 4.320 4.074 0.246 19431 576 1 2 . 1 1 43 43 LEU CA C 43 52.423 52.423 57.580 -5.157 19431 577 1 2 . 1 1 43 43 LEU CB C 43 40.023 40.023 41.595 -1.572 19431 578 1 2 . 1 1 44 44 GLN N N 44 119.455 119.455 119.661 -0.206 19431 579 1 2 . 1 1 44 44 GLN HA H 44 3.466 3.466 3.813 -0.347 19431 580 1 2 . 1 1 44 44 GLN CA C 44 57.437 57.437 59.337 -1.900 19431 581 1 2 . 1 1 44 44 GLN CB C 44 25.394 25.394 28.587 -3.193 19431 582 1 2 . 1 1 45 45 SER N N 45 110.605 110.605 113.877 -3.272 19431 583 1 2 . 1 1 45 45 SER HA H 45 4.211 4.211 4.328 -0.117 19431 584 1 2 . 1 1 45 45 SER CA C 45 57.621 57.621 60.604 -2.983 19431 585 1 2 . 1 1 45 45 SER CB C 45 60.094 60.094 62.892 -2.797 19431 586 1 2 . 1 1 46 46 SER N N 46 115.075 115.075 114.697 0.378 19431 587 1 2 . 1 1 46 46 SER HA H 46 4.473 4.473 4.554 -0.081 19431 588 1 2 . 1 1 46 46 SER CA C 46 55.739 55.739 57.675 -1.936 19431 589 1 2 . 1 1 46 46 SER CB C 46 61.628 61.628 64.397 -2.769 19431 590 1 2 . 1 1 47 47 LEU N N 47 124.984 124.984 125.070 -0.086 19431 591 1 2 . 1 1 47 47 LEU HA H 47 4.334 4.334 4.071 0.263 19431 592 1 2 . 1 1 47 47 LEU CA C 47 52.040 52.040 55.320 -3.280 19431 593 1 2 . 1 1 47 47 LEU CB C 47 39.810 39.810 42.103 -2.293 19431 594 1 2 . 1 1 48 48 THR N N 48 111.152 111.152 115.199 -4.047 19431 595 1 2 . 1 1 48 48 THR HA H 48 4.665 4.665 4.390 0.275 19431 596 1 2 . 1 1 48 48 THR CA C 48 56.718 56.718 60.865 -4.147 19431 597 1 2 . 1 1 48 48 THR CB C 48 69.103 69.103 69.087 0.016 19431 598 1 2 . 1 1 49 49 GLU N N 49 124.552 124.552 126.656 -2.104 19431 599 1 2 . 1 1 49 49 GLU HA H 49 3.194 3.194 3.997 -0.803 19431 600 1 2 . 1 1 49 49 GLU CA C 49 56.770 56.770 59.178 -2.408 19431 601 1 2 . 1 1 49 49 GLU CB C 49 26.148 26.148 29.346 -3.198 19431 602 1 2 . 1 1 50 50 GLU N N 50 118.615 118.615 119.465 -0.850 19431 603 1 2 . 1 1 50 50 GLU HA H 50 4.000 4.000 3.804 0.196 19431 604 1 2 . 1 1 50 50 GLU CA C 50 57.357 57.357 59.093 -1.736 19431 605 1 2 . 1 1 50 50 GLU CB C 50 26.511 26.511 29.233 -2.722 19431 606 1 2 . 1 1 51 51 SER N N 51 116.380 116.380 114.579 1.801 19431 607 1 2 . 1 1 51 51 SER HA H 51 4.256 4.256 4.128 0.128 19431 608 1 2 . 1 1 51 51 SER CA C 51 58.825 58.825 61.809 -2.984 19431 609 1 2 . 1 1 51 51 SER CB C 51 59.884 59.884 62.693 -2.809 19431 610 1 2 . 1 1 52 52 TYR N N 52 125.611 125.611 118.423 7.188 19431 611 1 2 . 1 1 52 52 TYR CB C 52 36.647 36.647 37.313 -0.666 19431 612 1 2 . 1 1 53 53 ASP N N 53 119.653 119.653 119.363 0.290 19431 613 1 2 . 1 1 53 53 ASP HA H 53 4.115 4.115 3.992 0.123 19431 614 1 2 . 1 1 53 53 ASP CA C 53 54.553 54.553 57.085 -2.532 19431 615 1 2 . 1 1 53 53 ASP CB C 53 37.477 37.477 40.430 -2.953 19431 616 1 2 . 1 1 54 54 SER N N 54 114.883 114.883 114.845 0.038 19431 617 1 2 . 1 1 54 54 SER HA H 54 3.946 3.946 4.135 -0.189 19431 618 1 2 . 1 1 54 54 SER CA C 54 59.741 59.741 61.108 -1.367 19431 619 1 2 . 1 1 54 54 SER CB C 54 59.750 59.750 63.327 -3.577 19431 620 1 2 . 1 1 55 55 TYR N N 55 123.933 123.933 120.570 3.363 19431 621 1 2 . 1 1 55 55 TYR HA H 55 4.361 4.361 4.389 -0.028 19431 622 1 2 . 1 1 55 55 TYR CA C 55 57.213 57.213 58.112 -0.899 19431 623 1 2 . 1 1 55 55 TYR CB C 55 34.024 34.024 36.810 -2.786 19431 624 1 2 . 1 1 56 56 LEU N N 56 119.758 119.758 121.267 -1.509 19431 625 1 2 . 1 1 56 56 LEU HA H 56 3.252 3.252 4.143 -0.891 19431 626 1 2 . 1 1 56 56 LEU CA C 56 54.681 54.681 57.626 -2.945 19431 627 1 2 . 1 1 56 56 LEU CB C 56 38.151 38.151 41.313 -3.162 19431 628 1 2 . 1 1 57 57 LYS N N 57 118.487 118.487 118.297 0.190 19431 629 1 2 . 1 1 57 57 LYS HA H 57 3.852 3.852 4.183 -0.331 19431 630 1 2 . 1 1 57 57 LYS CA C 57 56.090 56.090 58.223 -2.133 19431 631 1 2 . 1 1 57 57 LYS CB C 57 29.683 29.683 32.247 -2.564 19431 632 1 2 . 1 1 58 58 ILE N N 58 120.887 120.887 119.438 1.449 19431 633 1 2 . 1 1 58 58 ILE HA H 58 3.591 3.591 3.862 -0.271 19431 634 1 2 . 1 1 58 58 ILE CA C 58 61.366 61.366 63.776 -2.410 19431 635 1 2 . 1 1 58 58 ILE CB C 58 35.144 35.144 38.046 -2.902 19431 636 1 2 . 1 1 59 59 LEU N N 59 122.273 122.273 122.243 0.030 19431 637 1 2 . 1 1 59 59 LEU HA H 59 3.437 3.437 3.855 -0.418 19431 638 1 2 . 1 1 59 59 LEU CA C 59 54.847 54.847 58.274 -3.427 19431 639 1 2 . 1 1 59 59 LEU CB C 59 39.071 39.071 41.706 -2.635 19431 640 1 2 . 1 1 60 60 GLU N N 60 118.591 118.591 117.213 1.378 19431 641 1 2 . 1 1 60 60 GLU HA H 60 3.810 3.810 4.055 -0.245 19431 642 1 2 . 1 1 60 60 GLU CA C 60 56.156 56.156 59.017 -2.861 19431 643 1 2 . 1 1 60 60 GLU CB C 60 26.820 26.820 29.499 -2.679 19431 644 1 2 . 1 1 61 61 LYS N N 61 115.698 115.698 117.879 -2.181 19431 645 1 2 . 1 1 61 61 LYS HA H 61 4.029 4.029 4.226 -0.197 19431 646 1 2 . 1 1 61 61 LYS CA C 61 54.164 54.164 57.735 -3.571 19431 647 1 2 . 1 1 61 61 LYS CB C 61 29.581 29.581 32.834 -3.253 19431 648 1 2 . 1 1 62 62 GLN N N 62 114.863 114.863 115.348 -0.485 19431 649 1 2 . 1 1 62 62 GLN HA H 62 3.851 3.851 4.605 -0.754 19431 650 1 2 . 1 1 62 62 GLN CA C 62 52.258 52.258 54.669 -2.411 19431 651 1 2 . 1 1 62 62 GLN CB C 62 25.186 25.186 29.380 -4.194 19431 652 1 2 . 1 1 63 63 GLY N N 63 101.724 101.724 110.195 -8.471 19431 653 1 2 . 1 1 63 63 GLY CA C 63 41.815 41.815 45.626 -3.811 19431 654 1 2 . 1 1 64 64 GLU N N 64 118.731 118.731 119.220 -0.489 19431 655 1 2 . 1 1 64 64 GLU HA H 64 4.137 4.137 4.671 -0.534 19431 656 1 2 . 1 1 64 64 GLU CA C 64 54.598 54.598 54.382 0.216 19431 657 1 2 . 1 1 64 64 GLU CB C 64 28.312 28.312 33.991 -5.679 19431 658 1 2 . 1 1 65 65 PHE N N 65 123.366 123.366 122.087 1.279 19431 659 1 2 . 1 1 65 65 PHE HA H 65 3.825 3.825 4.349 -0.524 19431 660 1 2 . 1 1 65 65 PHE CA C 65 57.419 57.419 59.929 -2.510 19431 661 1 2 . 1 1 65 65 PHE CB C 65 36.666 36.666 39.265 -2.599 19431 662 1 2 . 1 1 66 66 LYS N N 66 125.336 125.336 125.790 -0.454 19431 663 1 2 . 1 1 66 66 LYS HA H 66 4.168 4.168 3.981 0.187 19431 664 1 2 . 1 1 66 66 LYS CA C 66 53.226 53.226 55.857 -2.631 19431 665 1 2 . 1 1 66 66 LYS CB C 66 30.293 30.293 34.350 -4.057 19431 666 1 2 . 1 1 67 67 GLU N N 67 112.076 112.076 118.415 -6.339 19431 667 1 2 . 1 1 67 67 GLU HA H 67 4.069 4.069 4.187 -0.118 19431 668 1 2 . 1 1 67 67 GLU CA C 67 52.907 52.907 55.423 -2.516 19431 669 1 2 . 1 1 67 67 GLU CB C 67 29.378 29.378 32.490 -3.112 19431 670 1 2 . 1 1 68 68 PHE N N 68 118.706 118.706 121.000 -2.294 19431 671 1 2 . 1 1 68 68 PHE CB C 68 38.408 38.408 41.304 -2.896 19431 672 1 2 . 1 1 69 69 GLY N N 69 112.889 112.889 109.805 3.084 19431 673 1 2 . 1 1 69 69 GLY CA C 69 41.353 41.353 44.510 -3.157 19431 674 1 2 . 1 1 70 70 LYS N N 70 122.409 122.409 121.209 1.200 19431 675 1 2 . 1 1 70 70 LYS HA H 70 4.085 4.085 4.482 -0.397 19431 676 1 2 . 1 1 70 70 LYS CA C 70 54.418 54.418 57.081 -2.663 19431 677 1 2 . 1 1 70 70 LYS CB C 70 31.197 31.197 33.492 -2.296 19431 678 1 2 . 1 1 71 71 CYS N N 71 118.509 118.509 124.138 -5.629 19431 679 1 2 . 1 1 71 71 CYS HA H 71 5.332 5.332 5.365 -0.033 19431 680 1 2 . 1 1 71 71 CYS CA C 71 54.655 54.655 56.687 -2.032 19431 681 1 2 . 1 1 71 71 CYS CB C 71 28.223 28.223 29.571 -1.348 19431 682 1 2 . 1 1 72 72 THR N N 72 120.129 120.129 122.383 -2.254 19431 683 1 2 . 1 1 72 72 THR HA H 72 4.272 4.272 4.469 -0.197 19431 684 1 2 . 1 1 72 72 THR CA C 72 58.652 58.652 61.628 -2.976 19431 685 1 2 . 1 1 72 72 THR CB C 72 68.199 68.199 69.836 -1.637 19431 686 1 2 . 1 1 73 73 TYR N N 73 122.772 122.772 126.588 -3.816 19431 687 1 2 . 1 1 73 73 TYR HA H 73 5.034 5.034 4.902 0.132 19431 688 1 2 . 1 1 73 73 TYR CA C 73 55.497 55.497 58.007 -2.510 19431 689 1 2 . 1 1 73 73 TYR CB C 73 38.271 38.271 39.458 -1.187 19431 690 1 2 . 1 1 74 74 LEU N N 74 117.980 117.980 119.853 -1.873 19431 691 1 2 . 1 1 74 74 LEU HA H 74 4.466 4.466 4.885 -0.419 19431 692 1 2 . 1 1 74 74 LEU CA C 74 51.805 51.805 53.718 -1.913 19431 693 1 2 . 1 1 74 74 LEU CB C 74 42.030 42.030 46.484 -4.454 19431 694 1 2 . 1 1 75 75 GLY N N 75 105.257 105.257 106.852 -1.595 19431 695 1 2 . 1 1 75 75 GLY CA C 75 42.799 42.799 44.013 -1.214 19431 696 1 2 . 1 1 76 76 GLN N N 76 119.071 119.071 115.824 3.247 19431 697 1 2 . 1 1 76 76 GLN HA H 76 4.938 4.938 5.056 -0.118 19431 698 1 2 . 1 1 76 76 GLN CA C 76 52.495 52.495 54.862 -2.367 19431 699 1 2 . 1 1 76 76 GLN CB C 76 30.498 30.498 32.906 -2.408 19431 700 1 2 . 1 1 77 77 ILE N N 77 123.550 123.550 121.510 2.040 19431 701 1 2 . 1 1 77 77 ILE HA H 77 4.992 4.992 5.287 -0.295 19431 702 1 2 . 1 1 77 77 ILE CA C 77 57.239 57.239 60.325 -3.086 19431 703 1 2 . 1 1 77 77 ILE CB C 77 36.664 36.664 40.713 -4.049 19431 704 1 2 . 1 1 78 78 LYS N N 78 127.532 127.532 128.215 -0.683 19431 705 1 2 . 1 1 78 78 LYS HA H 78 4.585 4.585 4.450 0.135 19431 706 1 2 . 1 1 78 78 LYS CA C 78 52.768 52.768 58.360 -5.592 19431 707 1 2 . 1 1 78 78 LYS CB C 78 32.536 32.536 33.443 -0.907 19431 708 1 2 . 1 1 79 79 ASP N N 79 128.019 128.019 117.796 10.223 19431 709 1 2 . 1 1 79 79 ASP HA H 79 4.168 4.168 4.785 -0.617 19431 710 1 2 . 1 1 79 79 ASP CA C 79 53.258 53.258 55.236 -1.978 19431 711 1 2 . 1 1 79 79 ASP CB C 79 36.826 36.826 41.757 -4.931 19431 712 1 2 . 1 1 80 80 ASN N N 80 110.608 110.608 117.266 -6.658 19431 713 1 2 . 1 1 80 80 ASN HA H 80 4.168 4.168 4.864 -0.696 19431 714 1 2 . 1 1 80 80 ASN CA C 80 51.912 51.912 53.296 -1.384 19431 715 1 2 . 1 1 80 80 ASN CB C 80 35.506 35.506 40.054 -4.548 19431 716 1 2 . 1 1 81 81 LYS N N 81 121.116 121.116 120.341 0.775 19431 717 1 2 . 1 1 81 81 LYS HA H 81 4.482 4.482 4.405 0.077 19431 718 1 2 . 1 1 81 81 LYS CA C 81 52.353 52.353 54.919 -2.566 19431 719 1 2 . 1 1 81 81 LYS CB C 81 32.119 32.119 33.602 -1.483 19431 720 1 2 . 1 1 82 82 LYS N N 82 119.259 119.259 122.552 -3.293 19431 721 1 2 . 1 1 82 82 LYS HA H 82 4.765 4.765 5.342 -0.577 19431 722 1 2 . 1 1 82 82 LYS CA C 82 52.722 52.722 54.885 -2.163 19431 723 1 2 . 1 1 82 82 LYS CB C 82 32.934 32.934 35.449 -2.514 19431 724 1 2 . 1 1 83 83 TYR N N 83 118.176 118.176 119.589 -1.413 19431 725 1 2 . 1 1 83 83 TYR HA H 83 5.275 5.275 4.844 0.431 19431 726 1 2 . 1 1 83 83 TYR CA C 83 53.383 53.383 56.648 -3.265 19431 727 1 2 . 1 1 83 83 TYR CB C 83 38.026 38.026 42.712 -4.686 19431 728 1 2 . 1 1 84 84 GLY N N 84 111.686 111.686 108.546 3.140 19431 729 1 2 . 1 1 84 84 GLY CA C 84 41.219 41.219 42.999 -1.780 19431 730 1 2 . 1 1 85 85 GLY N N 85 111.232 111.232 110.662 0.570 19431 731 1 2 . 1 1 85 85 GLY CA C 85 42.272 42.272 42.812 -0.540 19431 732 1 2 . 1 1 86 86 VAL N N 86 115.256 115.256 120.914 -5.658 19431 733 1 2 . 1 1 86 86 VAL HA H 86 5.127 5.127 4.918 0.209 19431 734 1 2 . 1 1 86 86 VAL CA C 86 55.741 55.741 60.388 -4.647 19431 735 1 2 . 1 1 86 86 VAL CB C 86 33.129 33.129 34.842 -1.713 19431 736 1 2 . 1 1 87 87 ILE N N 87 125.124 125.124 130.193 -5.069 19431 737 1 2 . 1 1 87 87 ILE HA H 87 5.206 5.206 4.450 0.756 19431 738 1 2 . 1 1 87 87 ILE CA C 87 57.168 57.168 60.682 -3.514 19431 739 1 2 . 1 1 87 87 ILE CB C 87 36.590 36.590 37.528 -0.938 19431 740 1 2 . 1 1 88 88 ILE N N 88 128.056 128.056 128.838 -0.782 19431 741 1 2 . 1 1 88 88 ILE HA H 88 5.146 5.146 4.426 0.720 19431 742 1 2 . 1 1 88 88 ILE CA C 88 55.356 55.356 59.599 -4.243 19431 743 1 2 . 1 1 88 88 ILE CB C 88 39.847 39.847 39.491 0.356 19431 744 1 2 . 1 1 89 89 VAL N N 89 128.326 128.326 130.239 -1.913 19431 745 1 2 . 1 1 89 89 VAL HA H 89 4.387 4.387 4.052 0.335 19431 746 1 2 . 1 1 89 89 VAL CA C 89 59.839 59.839 63.657 -3.818 19431 747 1 2 . 1 1 89 89 VAL CB C 89 30.295 30.295 31.786 -1.491 19431 748 1 2 . 1 1 90 90 VAL N N 90 128.738 128.738 129.027 -0.289 19431 749 1 2 . 1 1 90 90 VAL HA H 90 4.207 4.207 4.656 -0.449 19431 750 1 2 . 1 1 90 90 VAL CA C 90 59.722 59.722 60.728 -1.006 19431 751 1 2 . 1 1 90 90 VAL CB C 90 31.537 31.537 32.983 -1.446 19431 752 1 2 . 1 1 91 91 LYS N N 91 126.004 126.004 129.201 -3.197 19431 753 1 2 . 1 1 91 91 LYS HA H 91 4.629 4.629 4.778 -0.149 19431 754 1 2 . 1 1 91 91 LYS CA C 91 52.972 52.972 55.555 -2.583 19431 755 1 2 . 1 1 91 91 LYS CB C 91 30.789 30.789 31.824 -1.035 19431 756 1 2 . 1 1 92 92 TYR N N 92 123.932 123.932 125.135 -1.203 19431 757 1 2 . 1 1 92 92 TYR HA H 92 4.940 4.940 4.606 0.334 19431 758 1 2 . 1 1 92 92 TYR CA C 92 53.905 53.905 58.313 -4.408 19431 759 1 2 . 1 1 92 92 TYR CB C 92 39.331 39.331 39.233 0.098 19431 760 1 2 . 1 1 93 93 GLU N N 93 122.195 122.195 118.588 3.607 19431 761 1 2 . 1 1 93 93 GLU HA H 93 3.834 3.834 4.245 -0.411 19431 762 1 2 . 1 1 93 93 GLU CA C 93 57.465 57.465 58.673 -1.208 19431 763 1 2 . 1 1 93 93 GLU CB C 93 28.695 28.695 30.102 -1.407 19431 764 1 2 . 1 1 94 94 GLU N N 94 110.219 110.219 116.360 -6.141 19431 765 1 2 . 1 1 94 94 GLU HA H 94 4.440 4.440 4.599 -0.159 19431 766 1 2 . 1 1 94 94 GLU CA C 94 52.555 52.555 55.981 -3.426 19431 767 1 2 . 1 1 94 94 GLU CB C 94 26.861 26.861 31.421 -4.560 19431 768 1 2 . 1 1 95 95 GLY N N 95 106.566 106.566 107.442 -0.876 19431 769 1 2 . 1 1 95 95 GLY CA C 95 42.542 42.542 45.546 -3.004 19431 770 1 2 . 1 1 96 96 ASN N N 96 116.707 116.707 120.667 -3.960 19431 771 1 2 . 1 1 96 96 ASN HA H 96 5.720 5.720 5.908 -0.188 19431 772 1 2 . 1 1 96 96 ASN CA C 96 49.003 49.003 52.069 -3.066 19431 773 1 2 . 1 1 96 96 ASN CB C 96 37.602 37.602 40.703 -3.101 19431 774 1 2 . 1 1 97 97 VAL N N 97 122.002 122.002 124.392 -2.390 19431 775 1 2 . 1 1 97 97 VAL HA H 97 4.117 4.117 4.201 -0.084 19431 776 1 2 . 1 1 97 97 VAL CA C 97 58.404 58.404 60.786 -2.382 19431 777 1 2 . 1 1 97 97 VAL CB C 97 33.456 33.456 34.301 -0.845 19431 778 1 2 . 1 1 98 98 ASN N N 98 124.376 124.376 127.032 -2.656 19431 779 1 2 . 1 1 98 98 ASN HA H 98 5.135 5.135 4.968 0.167 19431 780 1 2 . 1 1 98 98 ASN CA C 98 48.630 48.630 52.876 -4.246 19431 781 1 2 . 1 1 98 98 ASN CB C 98 36.031 36.031 38.791 -2.760 19431 782 1 2 . 1 1 99 99 TYR N N 99 123.932 123.932 125.906 -1.974 19431 783 1 2 . 1 1 99 99 TYR HA H 99 4.640 4.640 4.437 0.203 19431 784 1 2 . 1 1 99 99 TYR CA C 99 55.468 55.468 58.684 -3.216 19431 785 1 2 . 1 1 99 99 TYR CB C 99 38.122 38.122 37.535 0.588 19431 786 1 2 . 1 1 100 100 SER N N 100 115.327 115.327 121.171 -5.844 19431 787 1 2 . 1 1 100 100 SER HA H 100 5.242 5.242 4.472 0.770 19431 788 1 2 . 1 1 100 100 SER CA C 100 53.767 53.767 59.188 -5.421 19431 789 1 2 . 1 1 100 100 SER CB C 100 60.649 60.649 62.010 -1.361 19431 790 1 2 . 1 1 101 101 LEU N N 101 130.521 130.521 126.872 3.649 19431 791 1 2 . 1 1 101 101 LEU HA H 101 4.978 4.978 5.008 -0.030 19431 792 1 2 . 1 1 101 101 LEU CA C 101 51.756 51.756 53.833 -2.077 19431 793 1 2 . 1 1 101 101 LEU CB C 101 42.765 42.765 43.726 -0.961 19431 794 1 2 . 1 1 102 102 ALA N N 102 121.373 121.373 125.144 -3.771 19431 795 1 2 . 1 1 102 102 ALA HA H 102 4.994 4.994 5.257 -0.263 19431 796 1 2 . 1 1 102 102 ALA CA C 102 48.505 48.505 50.461 -1.956 19431 797 1 2 . 1 1 102 102 ALA CB C 102 19.355 19.355 22.914 -3.559 19431 798 1 2 . 1 1 103 103 TYR N N 103 120.633 120.633 118.782 1.851 19431 799 1 2 . 1 1 103 103 TYR HA H 103 5.311 5.311 5.594 -0.283 19431 800 1 2 . 1 1 103 103 TYR CA C 103 55.519 55.519 55.210 0.309 19431 801 1 2 . 1 1 103 103 TYR CB C 103 42.037 42.037 40.563 1.474 19431 802 1 2 . 1 1 104 104 ASP N N 104 118.129 118.129 119.885 -1.756 19431 803 1 2 . 1 1 104 104 ASP HA H 104 5.163 5.163 4.830 0.333 19431 804 1 2 . 1 1 104 104 ASP CA C 104 49.372 49.372 53.182 -3.810 19431 805 1 2 . 1 1 104 104 ASP CB C 104 39.054 39.054 43.638 -4.584 19431 806 1 2 . 1 1 105 105 GLU N N 105 115.031 115.031 119.732 -4.701 19431 807 1 2 . 1 1 105 105 GLU HA H 105 3.624 3.624 4.252 -0.628 19431 808 1 2 . 1 1 105 105 GLU CA C 105 55.976 55.976 58.706 -2.730 19431 809 1 2 . 1 1 105 105 GLU CB C 105 27.111 27.111 29.690 -2.579 19431 810 1 2 . 1 1 106 106 ASP N N 106 119.038 119.038 119.703 -0.665 19431 811 1 2 . 1 1 107 107 MET N N 107 111.995 111.995 111.904 0.091 19431 812 1 2 . 1 1 107 107 MET HA H 107 4.343 4.343 4.190 0.153 19431 813 1 2 . 1 1 107 107 MET CA C 107 51.671 51.671 56.246 -4.575 19431 814 1 2 . 1 1 107 107 MET CB C 107 21.629 21.629 33.405 -11.776 19431 815 1 2 . 1 1 108 108 ASN N N 108 117.079 117.079 120.517 -3.438 19431 816 1 2 . 1 1 108 108 ASN HA H 108 5.111 5.111 5.022 0.089 19431 817 1 2 . 1 1 108 108 ASN CA C 108 49.519 49.519 52.667 -3.148 19431 818 1 2 . 1 1 108 108 ASN CB C 108 37.221 37.221 39.295 -2.074 19431 819 1 2 . 1 1 109 109 LEU N N 109 122.211 122.211 123.618 -1.407 19431 820 1 2 . 1 1 109 109 LEU HA H 109 4.020 4.020 4.346 -0.326 19431 821 1 2 . 1 1 109 109 LEU CA C 109 52.898 52.898 55.848 -2.950 19431 822 1 2 . 1 1 109 109 LEU CB C 109 40.774 40.774 39.143 1.631 19431 823 1 2 . 1 1 110 110 VAL N N 110 109.806 109.806 127.412 -17.606 19431 824 1 2 . 1 1 110 110 VAL HA H 110 4.551 4.551 4.329 0.222 19431 825 1 2 . 1 1 110 110 VAL CA C 110 57.276 57.276 62.697 -5.421 19431 826 1 2 . 1 1 110 110 VAL CB C 110 30.242 30.242 33.586 -3.344 19431 827 1 2 . 1 1 111 111 SER N N 111 113.487 113.487 115.703 -2.216 19431 828 1 2 . 1 1 111 111 SER HA H 111 4.476 4.476 4.694 -0.218 19431 829 1 2 . 1 1 111 111 SER CA C 111 55.637 55.637 58.260 -2.623 19431 830 1 2 . 1 1 111 111 SER CB C 111 61.288 61.288 64.654 -3.366 19431 831 1 2 . 1 1 112 112 PHE N N 112 126.988 126.988 127.532 -0.544 19431 832 1 2 . 1 1 112 112 PHE HA H 112 4.991 4.991 5.080 -0.089 19431 833 1 2 . 1 1 112 112 PHE CA C 112 55.305 55.305 57.081 -1.776 19431 834 1 2 . 1 1 112 112 PHE CB C 112 40.128 40.128 40.726 -0.598 19431 835 1 2 . 1 1 113 113 THR N N 113 120.333 120.333 121.857 -1.524 19431 836 1 2 . 1 1 113 113 THR HA H 113 4.775 4.775 4.445 0.330 19431 837 1 2 . 1 1 113 113 THR CA C 113 57.888 57.888 60.533 -2.645 19431 838 1 2 . 1 1 113 113 THR CB C 113 69.193 69.193 71.549 -2.356 19431 839 1 3 . 1 1 2 2 GLU HA H 2 4.446 4.446 4.568 -0.122 19431 840 1 3 . 1 1 2 2 GLU CA C 2 53.359 53.359 54.963 -1.604 19431 841 1 3 . 1 1 2 2 GLU CB C 2 29.108 29.108 31.653 -2.545 19431 842 1 3 . 1 1 3 3 ILE N N 3 123.144 123.144 119.958 3.186 19431 843 1 3 . 1 1 3 3 ILE HA H 3 4.358 4.358 4.456 -0.098 19431 844 1 3 . 1 1 3 3 ILE CA C 3 57.727 57.727 59.208 -1.481 19431 845 1 3 . 1 1 3 3 ILE CB C 3 35.665 35.665 38.151 -2.486 19431 846 1 3 . 1 1 4 4 LEU N N 4 127.461 127.461 127.420 0.041 19431 847 1 3 . 1 1 4 4 LEU HA H 4 4.554 4.554 4.559 -0.005 19431 848 1 3 . 1 1 4 4 LEU CA C 4 51.011 51.011 53.606 -2.595 19431 849 1 3 . 1 1 4 4 LEU CB C 4 41.209 41.209 42.437 -1.228 19431 850 1 3 . 1 1 5 5 LYS N N 5 121.611 121.611 122.102 -0.491 19431 851 1 3 . 1 1 5 5 LYS HA H 5 4.436 4.436 4.262 0.174 19431 852 1 3 . 1 1 5 5 LYS CA C 5 53.150 53.150 55.878 -2.728 19431 853 1 3 . 1 1 5 5 LYS CB C 5 29.359 29.359 31.302 -1.943 19431 854 1 3 . 1 1 6 6 GLU N N 6 115.825 115.825 113.773 2.052 19431 855 1 3 . 1 1 6 6 GLU HA H 6 4.269 4.269 4.572 -0.303 19431 856 1 3 . 1 1 6 6 GLU CA C 6 51.331 51.331 54.989 -3.658 19431 857 1 3 . 1 1 6 6 GLU CB C 6 29.583 29.583 31.226 -1.643 19431 858 1 3 . 1 1 7 7 LEU N N 7 118.967 118.967 122.305 -3.338 19431 859 1 3 . 1 1 7 7 LEU HA H 7 4.311 4.311 4.528 -0.217 19431 860 1 3 . 1 1 7 7 LEU CA C 7 50.182 50.182 52.834 -2.652 19431 861 1 3 . 1 1 7 7 LEU CB C 7 39.422 39.422 41.486 -2.064 19431 862 1 3 . 1 1 8 8 PRO HA H 8 4.432 4.432 4.505 -0.073 19431 863 1 3 . 1 1 8 8 PRO CA C 8 59.119 59.119 62.181 -3.062 19431 864 1 3 . 1 1 8 8 PRO CB C 8 29.306 29.306 32.517 -3.211 19431 865 1 3 . 1 1 9 9 GLU N N 9 121.059 121.059 119.263 1.796 19431 866 1 3 . 1 1 9 9 GLU HA H 9 4.033 4.033 4.071 -0.038 19431 867 1 3 . 1 1 9 9 GLU CA C 9 55.281 55.281 57.668 -2.387 19431 868 1 3 . 1 1 9 9 GLU CB C 9 26.864 26.864 29.451 -2.587 19431 869 1 3 . 1 1 10 10 GLY N N 10 112.279 112.279 111.557 0.722 19431 870 1 3 . 1 1 10 10 GLY CA C 10 42.029 42.029 44.311 -2.282 19431 871 1 3 . 1 1 11 11 PHE N N 11 117.612 117.612 119.513 -1.901 19431 872 1 3 . 1 1 11 11 PHE HA H 11 4.660 4.660 4.719 -0.059 19431 873 1 3 . 1 1 11 11 PHE CA C 11 54.280 54.280 56.577 -2.297 19431 874 1 3 . 1 1 11 11 PHE CB C 11 39.721 39.721 40.968 -1.246 19431 875 1 3 . 1 1 12 12 ASP N N 12 121.568 121.568 123.400 -1.832 19431 876 1 3 . 1 1 12 12 ASP HA H 12 4.875 4.875 4.859 0.016 19431 877 1 3 . 1 1 12 12 ASP CA C 12 49.676 49.676 53.756 -4.080 19431 878 1 3 . 1 1 12 12 ASP CB C 12 42.307 42.307 43.022 -0.715 19431 879 1 3 . 1 1 13 13 LYS N N 13 125.770 125.770 123.985 1.785 19431 880 1 3 . 1 1 13 13 LYS HA H 13 3.294 3.294 3.213 0.081 19431 881 1 3 . 1 1 13 13 LYS CA C 13 58.046 58.046 60.484 -2.438 19431 882 1 3 . 1 1 13 13 LYS CB C 13 30.216 30.216 32.242 -2.026 19431 883 1 3 . 1 1 14 14 GLU N N 14 118.590 118.590 117.822 0.768 19431 884 1 3 . 1 1 14 14 GLU HA H 14 4.090 4.090 4.166 -0.076 19431 885 1 3 . 1 1 14 14 GLU CA C 14 56.364 56.364 59.835 -3.471 19431 886 1 3 . 1 1 14 14 GLU CB C 14 26.479 26.479 28.869 -2.390 19431 887 1 3 . 1 1 15 15 THR N N 15 118.372 118.372 116.964 1.408 19431 888 1 3 . 1 1 15 15 THR HA H 15 3.737 3.737 4.119 -0.382 19431 889 1 3 . 1 1 15 15 THR CA C 15 63.974 63.974 66.111 -2.137 19431 890 1 3 . 1 1 15 15 THR CB C 15 65.565 65.565 68.740 -3.175 19431 891 1 3 . 1 1 16 16 VAL N N 16 121.083 121.083 122.596 -1.513 19431 892 1 3 . 1 1 16 16 VAL HA H 16 3.329 3.329 3.869 -0.540 19431 893 1 3 . 1 1 16 16 VAL CA C 16 64.214 64.214 66.432 -2.218 19431 894 1 3 . 1 1 16 16 VAL CB C 16 29.011 29.011 31.685 -2.674 19431 895 1 3 . 1 1 17 17 ARG N N 17 119.409 119.409 119.946 -0.537 19431 896 1 3 . 1 1 17 17 ARG HA H 17 3.737 3.737 4.050 -0.313 19431 897 1 3 . 1 1 17 17 ARG CA C 17 58.049 58.049 59.874 -1.825 19431 898 1 3 . 1 1 17 17 ARG CB C 17 27.401 27.401 30.114 -2.713 19431 899 1 3 . 1 1 18 18 LYS N N 18 116.168 116.168 119.199 -3.031 19431 900 1 3 . 1 1 18 18 LYS HA H 18 3.800 3.800 4.030 -0.230 19431 901 1 3 . 1 1 18 18 LYS CA C 18 57.031 57.031 59.154 -2.123 19431 902 1 3 . 1 1 18 18 LYS CB C 18 29.801 29.801 32.213 -2.412 19431 903 1 3 . 1 1 19 19 GLN N N 19 120.008 120.008 117.179 2.829 19431 904 1 3 . 1 1 19 19 GLN HA H 19 3.767 3.767 4.231 -0.464 19431 905 1 3 . 1 1 19 19 GLN CA C 19 54.492 54.492 56.919 -2.427 19431 906 1 3 . 1 1 19 19 GLN CB C 19 26.490 26.490 28.488 -1.998 19431 907 1 3 . 1 1 20 20 ALA N N 20 122.405 122.405 120.661 1.744 19431 908 1 3 . 1 1 20 20 ALA HA H 20 4.404 4.404 4.631 -0.227 19431 909 1 3 . 1 1 20 20 ALA CA C 20 52.036 52.036 53.751 -1.715 19431 910 1 3 . 1 1 20 20 ALA CB C 20 16.407 16.407 19.331 -2.924 19431 911 1 3 . 1 1 21 21 MET N N 21 115.042 115.042 119.794 -4.752 19431 912 1 3 . 1 1 21 21 MET HA H 21 3.354 3.354 3.633 -0.279 19431 913 1 3 . 1 1 21 21 MET CA C 21 56.861 56.861 60.096 -3.235 19431 914 1 3 . 1 1 21 21 MET CB C 21 30.538 30.538 32.490 -1.952 19431 915 1 3 . 1 1 22 22 GLU N N 22 118.882 118.882 118.518 0.364 19431 916 1 3 . 1 1 22 22 GLU HA H 22 3.923 3.923 4.318 -0.395 19431 917 1 3 . 1 1 22 22 GLU CA C 22 56.675 56.675 58.931 -2.256 19431 918 1 3 . 1 1 22 22 GLU CB C 22 26.613 26.613 29.499 -2.886 19431 919 1 3 . 1 1 23 23 ASP N N 23 122.549 122.549 119.666 2.883 19431 920 1 3 . 1 1 23 23 ASP HA H 23 4.658 4.658 4.423 0.235 19431 921 1 3 . 1 1 23 23 ASP CA C 23 55.053 55.053 57.190 -2.137 19431 922 1 3 . 1 1 23 23 ASP CB C 23 37.479 37.479 40.211 -2.732 19431 923 1 3 . 1 1 24 24 ILE N N 24 123.580 123.580 119.574 4.006 19431 924 1 3 . 1 1 24 24 ILE HA H 24 3.678 3.678 3.556 0.122 19431 925 1 3 . 1 1 24 24 ILE CA C 24 63.201 63.201 64.889 -1.688 19431 926 1 3 . 1 1 24 24 ILE CB C 24 35.138 35.138 37.770 -2.632 19431 927 1 3 . 1 1 25 25 GLU N N 25 120.591 120.591 118.986 1.605 19431 928 1 3 . 1 1 25 25 GLU HA H 25 3.885 3.885 3.896 -0.011 19431 929 1 3 . 1 1 25 25 GLU CA C 25 57.824 57.824 59.251 -1.427 19431 930 1 3 . 1 1 25 25 GLU CB C 25 25.883 25.883 29.163 -3.280 19431 931 1 3 . 1 1 26 26 ILE N N 26 121.350 121.350 118.231 3.119 19431 932 1 3 . 1 1 26 26 ILE HA H 26 3.718 3.718 3.947 -0.229 19431 933 1 3 . 1 1 26 26 ILE CA C 26 62.881 62.881 62.185 0.696 19431 934 1 3 . 1 1 26 26 ILE CB C 26 35.324 35.324 36.874 -1.550 19431 935 1 3 . 1 1 27 27 ALA N N 27 120.204 120.204 123.062 -2.858 19431 936 1 3 . 1 1 28 28 GLN N N 28 114.627 114.627 117.839 -3.212 19431 937 1 3 . 1 1 28 28 GLN CB C 28 26.380 26.380 28.605 -2.225 19431 938 1 3 . 1 1 29 29 SER N N 29 115.031 115.031 113.200 1.831 19431 939 1 3 . 1 1 29 29 SER HA H 29 4.260 4.260 4.456 -0.196 19431 940 1 3 . 1 1 29 29 SER CA C 29 57.768 57.768 58.393 -0.625 19431 941 1 3 . 1 1 29 29 SER CB C 29 61.367 61.367 62.949 -1.582 19431 942 1 3 . 1 1 30 30 LYS N N 30 112.834 112.834 118.331 -5.497 19431 943 1 3 . 1 1 30 30 LYS HA H 30 4.228 4.228 3.772 0.456 19431 944 1 3 . 1 1 30 30 LYS CA C 30 56.103 56.103 57.124 -1.021 19431 945 1 3 . 1 1 30 30 LYS CB C 30 26.478 26.478 29.489 -3.011 19431 946 1 3 . 1 1 31 31 ASP N N 31 121.067 121.067 119.413 1.654 19431 947 1 3 . 1 1 31 31 ASP HA H 31 4.877 4.877 4.264 0.613 19431 948 1 3 . 1 1 31 31 ASP CA C 31 49.742 49.742 53.954 -4.212 19431 949 1 3 . 1 1 31 31 ASP CB C 31 38.652 38.652 42.586 -3.934 19431 950 1 3 . 1 1 32 32 TYR N N 32 126.671 126.671 121.874 4.797 19431 951 1 3 . 1 1 32 32 TYR HA H 32 3.311 3.311 4.466 -1.155 19431 952 1 3 . 1 1 32 32 TYR CA C 32 57.951 57.951 59.590 -1.639 19431 953 1 3 . 1 1 32 32 TYR CB C 32 36.158 36.158 38.694 -2.536 19431 954 1 3 . 1 1 33 33 GLU N N 33 115.884 115.884 119.870 -3.986 19431 955 1 3 . 1 1 33 33 GLU HA H 33 3.442 3.442 4.239 -0.797 19431 956 1 3 . 1 1 33 33 GLU CA C 33 56.757 56.757 58.746 -1.989 19431 957 1 3 . 1 1 33 33 GLU CB C 33 26.095 26.095 29.422 -3.327 19431 958 1 3 . 1 1 34 34 SER N N 34 116.060 116.060 115.250 0.810 19431 959 1 3 . 1 1 34 34 SER HA H 34 4.026 4.026 4.274 -0.248 19431 960 1 3 . 1 1 34 34 SER CA C 34 58.953 58.953 61.417 -2.464 19431 961 1 3 . 1 1 34 34 SER CB C 34 59.683 59.683 63.000 -3.317 19431 962 1 3 . 1 1 35 35 TRP N N 35 123.977 123.977 121.483 2.494 19431 963 1 3 . 1 1 35 35 TRP CA C 35 57.894 57.894 59.198 -1.304 19431 964 1 3 . 1 1 35 35 TRP CB C 35 25.531 25.531 29.035 -3.504 19431 965 1 3 . 1 1 36 36 LYS N N 36 117.633 117.633 119.833 -2.200 19431 966 1 3 . 1 1 36 36 LYS HA H 36 3.128 3.128 3.793 -0.665 19431 967 1 3 . 1 1 36 36 LYS CA C 36 55.998 55.998 60.239 -4.241 19431 968 1 3 . 1 1 36 36 LYS CB C 36 29.304 29.304 31.941 -2.637 19431 969 1 3 . 1 1 37 37 SER N N 37 109.835 109.835 112.744 -2.909 19431 970 1 3 . 1 1 37 37 SER HA H 37 3.989 3.989 4.233 -0.244 19431 971 1 3 . 1 1 37 37 SER CA C 37 57.765 57.765 59.841 -2.076 19431 972 1 3 . 1 1 37 37 SER CB C 37 60.606 60.606 62.803 -2.197 19431 973 1 3 . 1 1 38 38 ARG N N 38 119.946 119.946 119.423 0.523 19431 974 1 3 . 1 1 38 38 ARG HA H 38 4.144 4.144 4.100 0.044 19431 975 1 3 . 1 1 38 38 ARG CA C 38 51.208 51.208 57.178 -5.970 19431 976 1 3 . 1 1 38 38 ARG CB C 38 25.717 25.717 30.363 -4.646 19431 977 1 3 . 1 1 39 39 PHE N N 39 117.529 117.529 116.484 1.045 19431 978 1 3 . 1 1 39 39 PHE HA H 39 4.855 4.855 4.946 -0.091 19431 979 1 3 . 1 1 39 39 PHE CA C 39 54.234 54.234 57.509 -3.275 19431 980 1 3 . 1 1 39 39 PHE CB C 39 37.547 37.547 40.484 -2.937 19431 981 1 3 . 1 1 40 40 THR N N 40 113.296 113.296 112.062 1.234 19431 982 1 3 . 1 1 40 40 THR HA H 40 3.991 3.991 4.376 -0.385 19431 983 1 3 . 1 1 40 40 THR CA C 40 59.704 59.704 60.942 -1.238 19431 984 1 3 . 1 1 40 40 THR CB C 40 66.175 66.175 70.632 -4.457 19431 985 1 3 . 1 1 41 41 LYS N N 41 124.924 124.924 121.394 3.530 19431 986 1 3 . 1 1 41 41 LYS HA H 41 3.713 3.713 4.051 -0.338 19431 987 1 3 . 1 1 41 41 LYS CA C 41 57.650 57.650 60.236 -2.587 19431 988 1 3 . 1 1 41 41 LYS CB C 41 29.363 29.363 32.068 -2.705 19431 989 1 3 . 1 1 42 42 ASP N N 42 116.255 116.255 119.675 -3.420 19431 990 1 3 . 1 1 42 42 ASP HA H 42 4.343 4.343 4.574 -0.231 19431 991 1 3 . 1 1 42 42 ASP CA C 42 53.841 53.841 56.325 -2.484 19431 992 1 3 . 1 1 42 42 ASP CB C 42 37.703 37.703 41.032 -3.329 19431 993 1 3 . 1 1 43 43 LEU N N 43 119.134 119.134 120.806 -1.672 19431 994 1 3 . 1 1 43 43 LEU HA H 43 4.320 4.320 3.946 0.374 19431 995 1 3 . 1 1 43 43 LEU CA C 43 52.423 52.423 57.441 -5.018 19431 996 1 3 . 1 1 43 43 LEU CB C 43 40.023 40.023 41.860 -1.837 19431 997 1 3 . 1 1 44 44 GLN N N 44 119.455 119.455 118.175 1.280 19431 998 1 3 . 1 1 44 44 GLN HA H 44 3.466 3.466 3.945 -0.479 19431 999 1 3 . 1 1 44 44 GLN CA C 44 57.437 57.437 58.837 -1.399 19431 1000 1 3 . 1 1 44 44 GLN CB C 44 25.394 25.394 28.546 -3.151 19431 1001 1 3 . 1 1 45 45 SER N N 45 110.605 110.605 113.635 -3.030 19431 1002 1 3 . 1 1 45 45 SER HA H 45 4.211 4.211 4.554 -0.343 19431 1003 1 3 . 1 1 45 45 SER CA C 45 57.621 57.621 59.143 -1.522 19431 1004 1 3 . 1 1 45 45 SER CB C 45 60.094 60.094 63.047 -2.953 19431 1005 1 3 . 1 1 46 46 SER N N 46 115.075 115.075 115.793 -0.718 19431 1006 1 3 . 1 1 46 46 SER HA H 46 4.473 4.473 4.527 -0.054 19431 1007 1 3 . 1 1 46 46 SER CA C 46 55.739 55.739 58.170 -2.431 19431 1008 1 3 . 1 1 46 46 SER CB C 46 61.628 61.628 63.797 -2.169 19431 1009 1 3 . 1 1 47 47 LEU N N 47 124.984 124.984 123.619 1.365 19431 1010 1 3 . 1 1 47 47 LEU HA H 47 4.334 4.334 4.243 0.091 19431 1011 1 3 . 1 1 47 47 LEU CA C 47 52.040 52.040 55.221 -3.181 19431 1012 1 3 . 1 1 47 47 LEU CB C 47 39.810 39.810 42.454 -2.644 19431 1013 1 3 . 1 1 48 48 THR N N 48 111.152 111.152 111.857 -0.705 19431 1014 1 3 . 1 1 48 48 THR HA H 48 4.665 4.665 4.566 0.099 19431 1015 1 3 . 1 1 48 48 THR CA C 48 56.718 56.718 60.682 -3.964 19431 1016 1 3 . 1 1 48 48 THR CB C 48 69.103 69.103 70.886 -1.783 19431 1017 1 3 . 1 1 49 49 GLU N N 49 124.552 124.552 123.132 1.420 19431 1018 1 3 . 1 1 49 49 GLU HA H 49 3.194 3.194 4.231 -1.037 19431 1019 1 3 . 1 1 49 49 GLU CA C 49 56.770 56.770 59.063 -2.293 19431 1020 1 3 . 1 1 49 49 GLU CB C 49 26.148 26.148 29.505 -3.357 19431 1021 1 3 . 1 1 50 50 GLU N N 50 118.615 118.615 120.376 -1.761 19431 1022 1 3 . 1 1 50 50 GLU HA H 50 4.000 4.000 3.950 0.050 19431 1023 1 3 . 1 1 50 50 GLU CA C 50 57.357 57.357 59.337 -1.980 19431 1024 1 3 . 1 1 50 50 GLU CB C 50 26.511 26.511 29.343 -2.832 19431 1025 1 3 . 1 1 51 51 SER N N 51 116.380 116.380 114.253 2.127 19431 1026 1 3 . 1 1 51 51 SER HA H 51 4.256 4.256 4.409 -0.153 19431 1027 1 3 . 1 1 51 51 SER CA C 51 58.825 58.825 60.460 -1.635 19431 1028 1 3 . 1 1 51 51 SER CB C 51 59.884 59.884 63.375 -3.491 19431 1029 1 3 . 1 1 52 52 TYR N N 52 125.611 125.611 114.543 11.068 19431 1030 1 3 . 1 1 52 52 TYR CB C 52 36.647 36.647 39.341 -2.694 19431 1031 1 3 . 1 1 53 53 ASP N N 53 119.653 119.653 121.431 -1.778 19431 1032 1 3 . 1 1 53 53 ASP HA H 53 4.115 4.115 4.717 -0.602 19431 1033 1 3 . 1 1 53 53 ASP CA C 53 54.553 54.553 54.517 0.036 19431 1034 1 3 . 1 1 53 53 ASP CB C 53 37.477 37.477 42.072 -4.595 19431 1035 1 3 . 1 1 54 54 SER N N 54 114.883 114.883 117.101 -2.218 19431 1036 1 3 . 1 1 54 54 SER HA H 54 3.946 3.946 4.206 -0.260 19431 1037 1 3 . 1 1 54 54 SER CA C 54 59.741 59.741 61.345 -1.604 19431 1038 1 3 . 1 1 54 54 SER CB C 54 59.750 59.750 63.339 -3.589 19431 1039 1 3 . 1 1 55 55 TYR N N 55 123.933 123.933 122.847 1.086 19431 1040 1 3 . 1 1 55 55 TYR HA H 55 4.361 4.361 4.261 0.100 19431 1041 1 3 . 1 1 55 55 TYR CA C 55 57.213 57.213 61.265 -4.052 19431 1042 1 3 . 1 1 55 55 TYR CB C 55 34.024 34.024 38.279 -4.255 19431 1043 1 3 . 1 1 56 56 LEU N N 56 119.758 119.758 118.377 1.381 19431 1044 1 3 . 1 1 56 56 LEU HA H 56 3.252 3.252 3.640 -0.388 19431 1045 1 3 . 1 1 56 56 LEU CA C 56 54.681 54.681 57.029 -2.348 19431 1046 1 3 . 1 1 56 56 LEU CB C 56 38.151 38.151 41.439 -3.288 19431 1047 1 3 . 1 1 57 57 LYS N N 57 118.487 118.487 118.426 0.061 19431 1048 1 3 . 1 1 57 57 LYS HA H 57 3.852 3.852 4.018 -0.166 19431 1049 1 3 . 1 1 57 57 LYS CA C 57 56.090 56.090 58.788 -2.698 19431 1050 1 3 . 1 1 57 57 LYS CB C 57 29.683 29.683 32.026 -2.343 19431 1051 1 3 . 1 1 58 58 ILE N N 58 120.887 120.887 117.988 2.899 19431 1052 1 3 . 1 1 58 58 ILE HA H 58 3.591 3.591 3.820 -0.229 19431 1053 1 3 . 1 1 58 58 ILE CA C 58 61.366 61.366 64.088 -2.722 19431 1054 1 3 . 1 1 58 58 ILE CB C 58 35.144 35.144 37.775 -2.631 19431 1055 1 3 . 1 1 59 59 LEU N N 59 122.273 122.273 121.207 1.066 19431 1056 1 3 . 1 1 59 59 LEU HA H 59 3.437 3.437 3.709 -0.272 19431 1057 1 3 . 1 1 59 59 LEU CA C 59 54.847 54.847 57.912 -3.065 19431 1058 1 3 . 1 1 59 59 LEU CB C 59 39.071 39.071 41.210 -2.139 19431 1059 1 3 . 1 1 60 60 GLU N N 60 118.591 118.591 116.707 1.884 19431 1060 1 3 . 1 1 60 60 GLU HA H 60 3.810 3.810 3.952 -0.142 19431 1061 1 3 . 1 1 60 60 GLU CA C 60 56.156 56.156 58.940 -2.784 19431 1062 1 3 . 1 1 60 60 GLU CB C 60 26.820 26.820 29.525 -2.705 19431 1063 1 3 . 1 1 61 61 LYS N N 61 115.698 115.698 113.459 2.239 19431 1064 1 3 . 1 1 61 61 LYS HA H 61 4.029 4.029 4.459 -0.430 19431 1065 1 3 . 1 1 61 61 LYS CA C 61 54.164 54.164 56.167 -2.003 19431 1066 1 3 . 1 1 61 61 LYS CB C 61 29.581 29.581 32.854 -3.273 19431 1067 1 3 . 1 1 62 62 GLN N N 62 114.863 114.863 117.994 -3.131 19431 1068 1 3 . 1 1 62 62 GLN HA H 62 3.851 3.851 4.472 -0.621 19431 1069 1 3 . 1 1 62 62 GLN CA C 62 52.258 52.258 55.806 -3.548 19431 1070 1 3 . 1 1 62 62 GLN CB C 62 25.186 25.186 30.627 -5.441 19431 1071 1 3 . 1 1 63 63 GLY N N 63 101.724 101.724 107.108 -5.384 19431 1072 1 3 . 1 1 63 63 GLY CA C 63 41.815 41.815 44.317 -2.502 19431 1073 1 3 . 1 1 64 64 GLU N N 64 118.731 118.731 119.914 -1.183 19431 1074 1 3 . 1 1 64 64 GLU HA H 64 4.137 4.137 4.434 -0.297 19431 1075 1 3 . 1 1 64 64 GLU CA C 64 54.598 54.598 54.350 0.248 19431 1076 1 3 . 1 1 64 64 GLU CB C 64 28.312 28.312 31.651 -3.339 19431 1077 1 3 . 1 1 65 65 PHE N N 65 123.366 123.366 124.027 -0.661 19431 1078 1 3 . 1 1 65 65 PHE HA H 65 3.825 3.825 4.638 -0.813 19431 1079 1 3 . 1 1 65 65 PHE CA C 65 57.419 57.419 58.749 -1.330 19431 1080 1 3 . 1 1 65 65 PHE CB C 65 36.666 36.666 39.413 -2.747 19431 1081 1 3 . 1 1 66 66 LYS N N 66 125.336 125.336 123.998 1.338 19431 1082 1 3 . 1 1 66 66 LYS HA H 66 4.168 4.168 4.012 0.156 19431 1083 1 3 . 1 1 66 66 LYS CA C 66 53.226 53.226 55.393 -2.167 19431 1084 1 3 . 1 1 66 66 LYS CB C 66 30.293 30.293 34.164 -3.872 19431 1085 1 3 . 1 1 67 67 GLU N N 67 112.076 112.076 117.772 -5.696 19431 1086 1 3 . 1 1 67 67 GLU HA H 67 4.069 4.069 4.169 -0.100 19431 1087 1 3 . 1 1 67 67 GLU CA C 67 52.907 52.907 55.778 -2.871 19431 1088 1 3 . 1 1 67 67 GLU CB C 67 29.378 29.378 32.268 -2.890 19431 1089 1 3 . 1 1 68 68 PHE N N 68 118.706 118.706 119.494 -0.788 19431 1090 1 3 . 1 1 68 68 PHE CB C 68 38.408 38.408 41.903 -3.495 19431 1091 1 3 . 1 1 69 69 GLY N N 69 112.889 112.889 110.742 2.147 19431 1092 1 3 . 1 1 69 69 GLY CA C 69 41.353 41.353 44.760 -3.407 19431 1093 1 3 . 1 1 70 70 LYS N N 70 122.409 122.409 118.510 3.899 19431 1094 1 3 . 1 1 70 70 LYS HA H 70 4.085 4.085 4.646 -0.561 19431 1095 1 3 . 1 1 70 70 LYS CA C 70 54.418 54.418 55.015 -0.597 19431 1096 1 3 . 1 1 70 70 LYS CB C 70 31.197 31.197 36.124 -4.928 19431 1097 1 3 . 1 1 71 71 CYS N N 71 118.509 118.509 118.818 -0.309 19431 1098 1 3 . 1 1 71 71 CYS HA H 71 5.332 5.332 4.899 0.433 19431 1099 1 3 . 1 1 71 71 CYS CA C 71 54.655 54.655 56.709 -2.054 19431 1100 1 3 . 1 1 71 71 CYS CB C 71 28.223 28.223 27.005 1.218 19431 1101 1 3 . 1 1 72 72 THR N N 72 120.129 120.129 122.519 -2.390 19431 1102 1 3 . 1 1 72 72 THR HA H 72 4.272 4.272 4.264 0.008 19431 1103 1 3 . 1 1 72 72 THR CA C 72 58.652 58.652 62.245 -3.593 19431 1104 1 3 . 1 1 72 72 THR CB C 72 68.199 68.199 68.392 -0.193 19431 1105 1 3 . 1 1 73 73 TYR N N 73 122.772 122.772 127.243 -4.471 19431 1106 1 3 . 1 1 73 73 TYR HA H 73 5.034 5.034 4.637 0.397 19431 1107 1 3 . 1 1 73 73 TYR CA C 73 55.497 55.497 58.804 -3.307 19431 1108 1 3 . 1 1 73 73 TYR CB C 73 38.271 38.271 38.938 -0.667 19431 1109 1 3 . 1 1 74 74 LEU N N 74 117.980 117.980 119.360 -1.380 19431 1110 1 3 . 1 1 74 74 LEU HA H 74 4.466 4.466 4.859 -0.393 19431 1111 1 3 . 1 1 74 74 LEU CA C 74 51.805 51.805 53.849 -2.044 19431 1112 1 3 . 1 1 74 74 LEU CB C 74 42.030 42.030 46.258 -4.228 19431 1113 1 3 . 1 1 75 75 GLY N N 75 105.257 105.257 106.348 -1.091 19431 1114 1 3 . 1 1 75 75 GLY CA C 75 42.799 42.799 44.730 -1.931 19431 1115 1 3 . 1 1 76 76 GLN N N 76 119.071 119.071 119.067 0.004 19431 1116 1 3 . 1 1 76 76 GLN HA H 76 4.938 4.938 5.026 -0.088 19431 1117 1 3 . 1 1 76 76 GLN CA C 76 52.495 52.495 54.726 -2.231 19431 1118 1 3 . 1 1 76 76 GLN CB C 76 30.498 30.498 34.055 -3.557 19431 1119 1 3 . 1 1 77 77 ILE N N 77 123.550 123.550 121.707 1.843 19431 1120 1 3 . 1 1 77 77 ILE HA H 77 4.992 4.992 5.018 -0.026 19431 1121 1 3 . 1 1 77 77 ILE CA C 77 57.239 57.239 60.280 -3.041 19431 1122 1 3 . 1 1 77 77 ILE CB C 77 36.664 36.664 38.859 -2.196 19431 1123 1 3 . 1 1 78 78 LYS N N 78 127.532 127.532 126.410 1.122 19431 1124 1 3 . 1 1 78 78 LYS HA H 78 4.585 4.585 4.074 0.511 19431 1125 1 3 . 1 1 78 78 LYS CA C 78 52.768 52.768 58.903 -6.135 19431 1126 1 3 . 1 1 78 78 LYS CB C 78 32.536 32.536 33.040 -0.504 19431 1127 1 3 . 1 1 79 79 ASP N N 79 128.019 128.019 115.243 12.776 19431 1128 1 3 . 1 1 79 79 ASP HA H 79 4.168 4.168 4.768 -0.600 19431 1129 1 3 . 1 1 79 79 ASP CA C 79 53.258 53.258 55.581 -2.323 19431 1130 1 3 . 1 1 79 79 ASP CB C 79 36.826 36.826 41.913 -5.087 19431 1131 1 3 . 1 1 80 80 ASN N N 80 110.608 110.608 116.417 -5.809 19431 1132 1 3 . 1 1 80 80 ASN HA H 80 4.168 4.168 4.818 -0.650 19431 1133 1 3 . 1 1 80 80 ASN CA C 80 51.912 51.912 53.131 -1.219 19431 1134 1 3 . 1 1 80 80 ASN CB C 80 35.506 35.506 40.182 -4.676 19431 1135 1 3 . 1 1 81 81 LYS N N 81 121.116 121.116 120.293 0.823 19431 1136 1 3 . 1 1 81 81 LYS HA H 81 4.482 4.482 4.644 -0.162 19431 1137 1 3 . 1 1 81 81 LYS CA C 81 52.353 52.353 54.605 -2.252 19431 1138 1 3 . 1 1 81 81 LYS CB C 81 32.119 32.119 33.869 -1.750 19431 1139 1 3 . 1 1 82 82 LYS N N 82 119.259 119.259 121.960 -2.701 19431 1140 1 3 . 1 1 82 82 LYS HA H 82 4.765 4.765 5.492 -0.727 19431 1141 1 3 . 1 1 82 82 LYS CA C 82 52.722 52.722 55.398 -2.676 19431 1142 1 3 . 1 1 82 82 LYS CB C 82 32.934 32.934 35.656 -2.722 19431 1143 1 3 . 1 1 83 83 TYR N N 83 118.176 118.176 119.115 -0.939 19431 1144 1 3 . 1 1 83 83 TYR HA H 83 5.275 5.275 4.885 0.390 19431 1145 1 3 . 1 1 83 83 TYR CA C 83 53.383 53.383 56.822 -3.439 19431 1146 1 3 . 1 1 83 83 TYR CB C 83 38.026 38.026 43.067 -5.041 19431 1147 1 3 . 1 1 84 84 GLY N N 84 111.686 111.686 108.534 3.152 19431 1148 1 3 . 1 1 84 84 GLY CA C 84 41.219 41.219 43.233 -2.014 19431 1149 1 3 . 1 1 85 85 GLY N N 85 111.232 111.232 110.385 0.847 19431 1150 1 3 . 1 1 85 85 GLY CA C 85 42.272 42.272 42.902 -0.630 19431 1151 1 3 . 1 1 86 86 VAL N N 86 115.256 115.256 120.424 -5.168 19431 1152 1 3 . 1 1 86 86 VAL HA H 86 5.127 5.127 4.642 0.485 19431 1153 1 3 . 1 1 86 86 VAL CA C 86 55.741 55.741 61.600 -5.859 19431 1154 1 3 . 1 1 86 86 VAL CB C 86 33.129 33.129 35.231 -2.102 19431 1155 1 3 . 1 1 87 87 ILE N N 87 125.124 125.124 130.875 -5.751 19431 1156 1 3 . 1 1 87 87 ILE HA H 87 5.206 5.206 4.543 0.663 19431 1157 1 3 . 1 1 87 87 ILE CA C 87 57.168 57.168 60.749 -3.582 19431 1158 1 3 . 1 1 87 87 ILE CB C 87 36.590 36.590 37.517 -0.927 19431 1159 1 3 . 1 1 88 88 ILE N N 88 128.056 128.056 129.303 -1.247 19431 1160 1 3 . 1 1 88 88 ILE HA H 88 5.146 5.146 4.951 0.195 19431 1161 1 3 . 1 1 88 88 ILE CA C 88 55.356 55.356 59.040 -3.684 19431 1162 1 3 . 1 1 88 88 ILE CB C 88 39.847 39.847 39.908 -0.062 19431 1163 1 3 . 1 1 89 89 VAL N N 89 128.326 128.326 129.127 -0.801 19431 1164 1 3 . 1 1 89 89 VAL HA H 89 4.387 4.387 4.209 0.178 19431 1165 1 3 . 1 1 89 89 VAL CA C 89 59.839 59.839 62.393 -2.554 19431 1166 1 3 . 1 1 89 89 VAL CB C 89 30.295 30.295 31.974 -1.679 19431 1167 1 3 . 1 1 90 90 VAL N N 90 128.738 128.738 130.647 -1.909 19431 1168 1 3 . 1 1 90 90 VAL HA H 90 4.207 4.207 4.487 -0.280 19431 1169 1 3 . 1 1 90 90 VAL CA C 90 59.722 59.722 62.373 -2.651 19431 1170 1 3 . 1 1 90 90 VAL CB C 90 31.537 31.537 32.534 -0.997 19431 1171 1 3 . 1 1 91 91 LYS N N 91 126.004 126.004 128.830 -2.826 19431 1172 1 3 . 1 1 91 91 LYS HA H 91 4.629 4.629 4.773 -0.144 19431 1173 1 3 . 1 1 91 91 LYS CA C 91 52.972 52.972 55.051 -2.079 19431 1174 1 3 . 1 1 91 91 LYS CB C 91 30.789 30.789 32.543 -1.754 19431 1175 1 3 . 1 1 92 92 TYR N N 92 123.932 123.932 123.760 0.172 19431 1176 1 3 . 1 1 92 92 TYR HA H 92 4.940 4.940 4.693 0.247 19431 1177 1 3 . 1 1 92 92 TYR CA C 92 53.905 53.905 57.977 -4.072 19431 1178 1 3 . 1 1 92 92 TYR CB C 92 39.331 39.331 39.527 -0.196 19431 1179 1 3 . 1 1 93 93 GLU N N 93 122.195 122.195 120.222 1.973 19431 1180 1 3 . 1 1 93 93 GLU HA H 93 3.834 3.834 4.046 -0.212 19431 1181 1 3 . 1 1 93 93 GLU CA C 93 57.465 57.465 59.426 -1.961 19431 1182 1 3 . 1 1 93 93 GLU CB C 93 28.695 28.695 29.878 -1.183 19431 1183 1 3 . 1 1 94 94 GLU N N 94 110.219 110.219 115.468 -5.249 19431 1184 1 3 . 1 1 94 94 GLU HA H 94 4.440 4.440 4.511 -0.071 19431 1185 1 3 . 1 1 94 94 GLU CA C 94 52.555 52.555 56.325 -3.770 19431 1186 1 3 . 1 1 94 94 GLU CB C 94 26.861 26.861 31.756 -4.895 19431 1187 1 3 . 1 1 95 95 GLY N N 95 106.566 106.566 108.743 -2.177 19431 1188 1 3 . 1 1 95 95 GLY CA C 95 42.542 42.542 44.564 -2.022 19431 1189 1 3 . 1 1 96 96 ASN N N 96 116.707 116.707 120.493 -3.786 19431 1190 1 3 . 1 1 96 96 ASN HA H 96 5.720 5.720 5.298 0.422 19431 1191 1 3 . 1 1 96 96 ASN CA C 96 49.003 49.003 52.209 -3.206 19431 1192 1 3 . 1 1 96 96 ASN CB C 96 37.602 37.602 40.554 -2.952 19431 1193 1 3 . 1 1 97 97 VAL N N 97 122.002 122.002 123.587 -1.585 19431 1194 1 3 . 1 1 97 97 VAL HA H 97 4.117 4.117 4.253 -0.136 19431 1195 1 3 . 1 1 97 97 VAL CA C 97 58.404 58.404 61.085 -2.681 19431 1196 1 3 . 1 1 97 97 VAL CB C 97 33.456 33.456 33.775 -0.319 19431 1197 1 3 . 1 1 98 98 ASN N N 98 124.376 124.376 127.189 -2.813 19431 1198 1 3 . 1 1 98 98 ASN HA H 98 5.135 5.135 4.896 0.239 19431 1199 1 3 . 1 1 98 98 ASN CA C 98 48.630 48.630 52.935 -4.306 19431 1200 1 3 . 1 1 98 98 ASN CB C 98 36.031 36.031 38.353 -2.322 19431 1201 1 3 . 1 1 99 99 TYR N N 99 123.932 123.932 124.976 -1.044 19431 1202 1 3 . 1 1 99 99 TYR HA H 99 4.640 4.640 4.558 0.082 19431 1203 1 3 . 1 1 99 99 TYR CA C 99 55.468 55.468 58.766 -3.298 19431 1204 1 3 . 1 1 99 99 TYR CB C 99 38.122 38.122 37.850 0.272 19431 1205 1 3 . 1 1 100 100 SER N N 100 115.327 115.327 120.114 -4.787 19431 1206 1 3 . 1 1 100 100 SER HA H 100 5.242 5.242 4.661 0.581 19431 1207 1 3 . 1 1 100 100 SER CA C 100 53.767 53.767 57.920 -4.153 19431 1208 1 3 . 1 1 100 100 SER CB C 100 60.649 60.649 62.673 -2.024 19431 1209 1 3 . 1 1 101 101 LEU N N 101 130.521 130.521 129.491 1.030 19431 1210 1 3 . 1 1 101 101 LEU HA H 101 4.978 4.978 5.015 -0.037 19431 1211 1 3 . 1 1 101 101 LEU CA C 101 51.756 51.756 53.746 -1.990 19431 1212 1 3 . 1 1 101 101 LEU CB C 101 42.765 42.765 44.091 -1.326 19431 1213 1 3 . 1 1 102 102 ALA N N 102 121.373 121.373 126.502 -5.129 19431 1214 1 3 . 1 1 102 102 ALA HA H 102 4.994 4.994 4.995 -0.001 19431 1215 1 3 . 1 1 102 102 ALA CA C 102 48.505 48.505 50.342 -1.837 19431 1216 1 3 . 1 1 102 102 ALA CB C 102 19.355 19.355 22.403 -3.048 19431 1217 1 3 . 1 1 103 103 TYR N N 103 120.633 120.633 120.086 0.547 19431 1218 1 3 . 1 1 103 103 TYR HA H 103 5.311 5.311 5.604 -0.293 19431 1219 1 3 . 1 1 103 103 TYR CA C 103 55.519 55.519 54.055 1.464 19431 1220 1 3 . 1 1 103 103 TYR CB C 103 42.037 42.037 40.987 1.050 19431 1221 1 3 . 1 1 104 104 ASP N N 104 118.129 118.129 118.771 -0.642 19431 1222 1 3 . 1 1 104 104 ASP HA H 104 5.163 5.163 4.301 0.862 19431 1223 1 3 . 1 1 104 104 ASP CA C 104 49.372 49.372 52.397 -3.025 19431 1224 1 3 . 1 1 104 104 ASP CB C 104 39.054 39.054 41.030 -1.976 19431 1225 1 3 . 1 1 105 105 GLU N N 105 115.031 115.031 118.651 -3.620 19431 1226 1 3 . 1 1 105 105 GLU HA H 105 3.624 3.624 4.138 -0.514 19431 1227 1 3 . 1 1 105 105 GLU CA C 105 55.976 55.976 59.358 -3.382 19431 1228 1 3 . 1 1 105 105 GLU CB C 105 27.111 27.111 29.533 -2.422 19431 1229 1 3 . 1 1 106 106 ASP N N 106 119.038 119.038 117.608 1.430 19431 1230 1 3 . 1 1 107 107 MET N N 107 111.995 111.995 115.071 -3.076 19431 1231 1 3 . 1 1 107 107 MET HA H 107 4.343 4.343 3.800 0.543 19431 1232 1 3 . 1 1 107 107 MET CA C 107 51.671 51.671 56.233 -4.562 19431 1233 1 3 . 1 1 107 107 MET CB C 107 21.629 21.629 29.842 -8.213 19431 1234 1 3 . 1 1 108 108 ASN N N 108 117.079 117.079 118.050 -0.971 19431 1235 1 3 . 1 1 108 108 ASN HA H 108 5.111 5.111 5.069 0.042 19431 1236 1 3 . 1 1 108 108 ASN CA C 108 49.519 49.519 52.497 -2.978 19431 1237 1 3 . 1 1 108 108 ASN CB C 108 37.221 37.221 39.863 -2.642 19431 1238 1 3 . 1 1 109 109 LEU N N 109 122.211 122.211 125.208 -2.997 19431 1239 1 3 . 1 1 109 109 LEU HA H 109 4.020 4.020 4.196 -0.176 19431 1240 1 3 . 1 1 109 109 LEU CA C 109 52.898 52.898 56.650 -3.752 19431 1241 1 3 . 1 1 109 109 LEU CB C 109 40.774 40.774 41.821 -1.047 19431 1242 1 3 . 1 1 110 110 VAL N N 110 109.806 109.806 123.397 -13.591 19431 1243 1 3 . 1 1 110 110 VAL HA H 110 4.551 4.551 4.445 0.106 19431 1244 1 3 . 1 1 110 110 VAL CA C 110 57.276 57.276 62.069 -4.793 19431 1245 1 3 . 1 1 110 110 VAL CB C 110 30.242 30.242 33.561 -3.319 19431 1246 1 3 . 1 1 111 111 SER N N 111 113.487 113.487 114.721 -1.234 19431 1247 1 3 . 1 1 111 111 SER HA H 111 4.476 4.476 4.864 -0.388 19431 1248 1 3 . 1 1 111 111 SER CA C 111 55.637 55.637 58.297 -2.660 19431 1249 1 3 . 1 1 111 111 SER CB C 111 61.288 61.288 64.764 -3.477 19431 1250 1 3 . 1 1 112 112 PHE N N 112 126.988 126.988 126.954 0.034 19431 1251 1 3 . 1 1 112 112 PHE HA H 112 4.991 4.991 5.788 -0.797 19431 1252 1 3 . 1 1 112 112 PHE CA C 112 55.305 55.305 56.428 -1.123 19431 1253 1 3 . 1 1 112 112 PHE CB C 112 40.128 40.128 42.409 -2.281 19431 1254 1 3 . 1 1 113 113 THR N N 113 120.333 120.333 122.805 -2.472 19431 1255 1 3 . 1 1 113 113 THR HA H 113 4.775 4.775 4.408 0.367 19431 1256 1 3 . 1 1 113 113 THR CA C 113 57.888 57.888 60.189 -2.301 19431 1257 1 3 . 1 1 113 113 THR CB C 113 69.193 69.193 71.812 -2.619 19431 1258 1 4 . 1 1 2 2 GLU HA H 2 4.446 4.446 4.481 -0.035 19431 1259 1 4 . 1 1 2 2 GLU CA C 2 53.359 53.359 56.130 -2.771 19431 1260 1 4 . 1 1 2 2 GLU CB C 2 29.108 29.108 32.334 -3.226 19431 1261 1 4 . 1 1 3 3 ILE N N 3 123.144 123.144 124.377 -1.233 19431 1262 1 4 . 1 1 3 3 ILE HA H 3 4.358 4.358 4.448 -0.090 19431 1263 1 4 . 1 1 3 3 ILE CA C 3 57.727 57.727 59.451 -1.724 19431 1264 1 4 . 1 1 3 3 ILE CB C 3 35.665 35.665 37.104 -1.439 19431 1265 1 4 . 1 1 4 4 LEU N N 4 127.461 127.461 126.430 1.031 19431 1266 1 4 . 1 1 4 4 LEU HA H 4 4.554 4.554 4.408 0.146 19431 1267 1 4 . 1 1 4 4 LEU CA C 4 51.011 51.011 55.005 -3.994 19431 1268 1 4 . 1 1 4 4 LEU CB C 4 41.209 41.209 42.574 -1.365 19431 1269 1 4 . 1 1 5 5 LYS N N 5 121.611 121.611 119.314 2.297 19431 1270 1 4 . 1 1 5 5 LYS HA H 5 4.436 4.436 4.330 0.106 19431 1271 1 4 . 1 1 5 5 LYS CA C 5 53.150 53.150 56.056 -2.906 19431 1272 1 4 . 1 1 5 5 LYS CB C 5 29.359 29.359 31.320 -1.961 19431 1273 1 4 . 1 1 6 6 GLU N N 6 115.825 115.825 114.040 1.785 19431 1274 1 4 . 1 1 6 6 GLU HA H 6 4.269 4.269 4.629 -0.360 19431 1275 1 4 . 1 1 6 6 GLU CA C 6 51.331 51.331 54.763 -3.432 19431 1276 1 4 . 1 1 6 6 GLU CB C 6 29.583 29.583 31.154 -1.571 19431 1277 1 4 . 1 1 7 7 LEU N N 7 118.967 118.967 122.065 -3.098 19431 1278 1 4 . 1 1 7 7 LEU HA H 7 4.311 4.311 4.644 -0.333 19431 1279 1 4 . 1 1 7 7 LEU CA C 7 50.182 50.182 52.890 -2.708 19431 1280 1 4 . 1 1 7 7 LEU CB C 7 39.422 39.422 41.382 -1.960 19431 1281 1 4 . 1 1 8 8 PRO HA H 8 4.432 4.432 4.614 -0.182 19431 1282 1 4 . 1 1 8 8 PRO CA C 8 59.119 59.119 61.989 -2.870 19431 1283 1 4 . 1 1 8 8 PRO CB C 8 29.306 29.306 32.589 -3.283 19431 1284 1 4 . 1 1 9 9 GLU N N 9 121.059 121.059 119.249 1.810 19431 1285 1 4 . 1 1 9 9 GLU HA H 9 4.033 4.033 4.039 -0.006 19431 1286 1 4 . 1 1 9 9 GLU CA C 9 55.281 55.281 57.904 -2.623 19431 1287 1 4 . 1 1 9 9 GLU CB C 9 26.864 26.864 29.716 -2.852 19431 1288 1 4 . 1 1 10 10 GLY N N 10 112.279 112.279 110.803 1.476 19431 1289 1 4 . 1 1 10 10 GLY CA C 10 42.029 42.029 44.333 -2.304 19431 1290 1 4 . 1 1 11 11 PHE N N 11 117.612 117.612 117.941 -0.329 19431 1291 1 4 . 1 1 11 11 PHE HA H 11 4.660 4.660 4.858 -0.198 19431 1292 1 4 . 1 1 11 11 PHE CA C 11 54.280 54.280 56.424 -2.144 19431 1293 1 4 . 1 1 11 11 PHE CB C 11 39.721 39.721 40.666 -0.945 19431 1294 1 4 . 1 1 12 12 ASP N N 12 121.568 121.568 120.501 1.067 19431 1295 1 4 . 1 1 12 12 ASP HA H 12 4.875 4.875 4.836 0.039 19431 1296 1 4 . 1 1 12 12 ASP CA C 12 49.676 49.676 53.013 -3.337 19431 1297 1 4 . 1 1 12 12 ASP CB C 12 42.307 42.307 43.367 -1.060 19431 1298 1 4 . 1 1 13 13 LYS N N 13 125.770 125.770 124.451 1.319 19431 1299 1 4 . 1 1 13 13 LYS HA H 13 3.294 3.294 3.226 0.068 19431 1300 1 4 . 1 1 13 13 LYS CA C 13 58.046 58.046 60.216 -2.170 19431 1301 1 4 . 1 1 13 13 LYS CB C 13 30.216 30.216 32.130 -1.914 19431 1302 1 4 . 1 1 14 14 GLU N N 14 118.590 118.590 117.739 0.851 19431 1303 1 4 . 1 1 14 14 GLU HA H 14 4.090 4.090 4.182 -0.092 19431 1304 1 4 . 1 1 14 14 GLU CA C 14 56.364 56.364 59.357 -2.993 19431 1305 1 4 . 1 1 14 14 GLU CB C 14 26.479 26.479 29.198 -2.719 19431 1306 1 4 . 1 1 15 15 THR N N 15 118.372 118.372 118.050 0.322 19431 1307 1 4 . 1 1 15 15 THR HA H 15 3.737 3.737 3.936 -0.199 19431 1308 1 4 . 1 1 15 15 THR CA C 15 63.974 63.974 66.668 -2.694 19431 1309 1 4 . 1 1 15 15 THR CB C 15 65.565 65.565 68.745 -3.180 19431 1310 1 4 . 1 1 16 16 VAL N N 16 121.083 121.083 121.045 0.038 19431 1311 1 4 . 1 1 16 16 VAL HA H 16 3.329 3.329 3.523 -0.194 19431 1312 1 4 . 1 1 16 16 VAL CA C 16 64.214 64.214 66.568 -2.354 19431 1313 1 4 . 1 1 16 16 VAL CB C 16 29.011 29.011 30.968 -1.957 19431 1314 1 4 . 1 1 17 17 ARG N N 17 119.409 119.409 120.484 -1.075 19431 1315 1 4 . 1 1 17 17 ARG HA H 17 3.737 3.737 4.142 -0.405 19431 1316 1 4 . 1 1 17 17 ARG CA C 17 58.049 58.049 59.782 -1.734 19431 1317 1 4 . 1 1 17 17 ARG CB C 17 27.401 27.401 30.115 -2.714 19431 1318 1 4 . 1 1 18 18 LYS N N 18 116.168 116.168 119.293 -3.125 19431 1319 1 4 . 1 1 18 18 LYS HA H 18 3.800 3.800 4.113 -0.313 19431 1320 1 4 . 1 1 18 18 LYS CA C 18 57.031 57.031 58.845 -1.814 19431 1321 1 4 . 1 1 18 18 LYS CB C 18 29.801 29.801 32.593 -2.792 19431 1322 1 4 . 1 1 19 19 GLN N N 19 120.008 120.008 116.678 3.330 19431 1323 1 4 . 1 1 19 19 GLN HA H 19 3.767 3.767 4.241 -0.474 19431 1324 1 4 . 1 1 19 19 GLN CA C 19 54.492 54.492 55.360 -0.868 19431 1325 1 4 . 1 1 19 19 GLN CB C 19 26.490 26.490 28.006 -1.516 19431 1326 1 4 . 1 1 20 20 ALA N N 20 122.405 122.405 119.927 2.478 19431 1327 1 4 . 1 1 20 20 ALA HA H 20 4.404 4.404 4.632 -0.228 19431 1328 1 4 . 1 1 20 20 ALA CA C 20 52.036 52.036 53.435 -1.399 19431 1329 1 4 . 1 1 20 20 ALA CB C 20 16.407 16.407 19.757 -3.350 19431 1330 1 4 . 1 1 21 21 MET N N 21 115.042 115.042 119.445 -4.403 19431 1331 1 4 . 1 1 21 21 MET HA H 21 3.354 3.354 3.348 0.006 19431 1332 1 4 . 1 1 21 21 MET CA C 21 56.861 56.861 59.599 -2.737 19431 1333 1 4 . 1 1 21 21 MET CB C 21 30.538 30.538 32.010 -1.472 19431 1334 1 4 . 1 1 22 22 GLU N N 22 118.882 118.882 118.185 0.697 19431 1335 1 4 . 1 1 22 22 GLU HA H 22 3.923 3.923 4.021 -0.098 19431 1336 1 4 . 1 1 22 22 GLU CA C 22 56.675 56.675 59.484 -2.809 19431 1337 1 4 . 1 1 22 22 GLU CB C 22 26.613 26.613 28.992 -2.379 19431 1338 1 4 . 1 1 23 23 ASP N N 23 122.549 122.549 119.323 3.226 19431 1339 1 4 . 1 1 23 23 ASP HA H 23 4.658 4.658 4.314 0.344 19431 1340 1 4 . 1 1 23 23 ASP CA C 23 55.053 55.053 57.744 -2.691 19431 1341 1 4 . 1 1 23 23 ASP CB C 23 37.479 37.479 39.998 -2.519 19431 1342 1 4 . 1 1 24 24 ILE N N 24 123.580 123.580 119.170 4.410 19431 1343 1 4 . 1 1 24 24 ILE HA H 24 3.678 3.678 3.527 0.151 19431 1344 1 4 . 1 1 24 24 ILE CA C 24 63.201 63.201 65.420 -2.219 19431 1345 1 4 . 1 1 24 24 ILE CB C 24 35.138 35.138 37.735 -2.597 19431 1346 1 4 . 1 1 25 25 GLU N N 25 120.591 120.591 119.245 1.346 19431 1347 1 4 . 1 1 25 25 GLU HA H 25 3.885 3.885 4.019 -0.134 19431 1348 1 4 . 1 1 25 25 GLU CA C 25 57.824 57.824 59.199 -1.375 19431 1349 1 4 . 1 1 25 25 GLU CB C 25 25.883 25.883 29.243 -3.360 19431 1350 1 4 . 1 1 26 26 ILE N N 26 121.350 121.350 118.816 2.534 19431 1351 1 4 . 1 1 26 26 ILE HA H 26 3.718 3.718 3.809 -0.091 19431 1352 1 4 . 1 1 26 26 ILE CA C 26 62.881 62.881 63.296 -0.415 19431 1353 1 4 . 1 1 26 26 ILE CB C 26 35.324 35.324 36.533 -1.210 19431 1354 1 4 . 1 1 27 27 ALA N N 27 120.204 120.204 121.575 -1.371 19431 1355 1 4 . 1 1 28 28 GLN N N 28 114.627 114.627 117.702 -3.075 19431 1356 1 4 . 1 1 28 28 GLN CB C 28 26.380 26.380 29.033 -2.653 19431 1357 1 4 . 1 1 29 29 SER N N 29 115.031 115.031 112.936 2.095 19431 1358 1 4 . 1 1 29 29 SER HA H 29 4.260 4.260 4.534 -0.274 19431 1359 1 4 . 1 1 29 29 SER CA C 29 57.768 57.768 58.124 -0.356 19431 1360 1 4 . 1 1 29 29 SER CB C 29 61.367 61.367 63.137 -1.770 19431 1361 1 4 . 1 1 30 30 LYS N N 30 112.834 112.834 118.447 -5.613 19431 1362 1 4 . 1 1 30 30 LYS HA H 30 4.228 4.228 3.692 0.536 19431 1363 1 4 . 1 1 30 30 LYS CA C 30 56.103 56.103 56.966 -0.863 19431 1364 1 4 . 1 1 30 30 LYS CB C 30 26.478 26.478 29.746 -3.268 19431 1365 1 4 . 1 1 31 31 ASP N N 31 121.067 121.067 120.006 1.061 19431 1366 1 4 . 1 1 31 31 ASP HA H 31 4.877 4.877 4.192 0.685 19431 1367 1 4 . 1 1 31 31 ASP CA C 31 49.742 49.742 53.682 -3.940 19431 1368 1 4 . 1 1 31 31 ASP CB C 31 38.652 38.652 42.606 -3.954 19431 1369 1 4 . 1 1 32 32 TYR N N 32 126.671 126.671 121.652 5.019 19431 1370 1 4 . 1 1 32 32 TYR HA H 32 3.311 3.311 4.641 -1.330 19431 1371 1 4 . 1 1 32 32 TYR CA C 32 57.951 57.951 59.435 -1.484 19431 1372 1 4 . 1 1 32 32 TYR CB C 32 36.158 36.158 39.157 -2.999 19431 1373 1 4 . 1 1 33 33 GLU N N 33 115.884 115.884 119.396 -3.512 19431 1374 1 4 . 1 1 33 33 GLU HA H 33 3.442 3.442 4.236 -0.794 19431 1375 1 4 . 1 1 33 33 GLU CA C 33 56.757 56.757 58.654 -1.897 19431 1376 1 4 . 1 1 33 33 GLU CB C 33 26.095 26.095 29.271 -3.176 19431 1377 1 4 . 1 1 34 34 SER N N 34 116.060 116.060 114.726 1.334 19431 1378 1 4 . 1 1 34 34 SER HA H 34 4.026 4.026 4.300 -0.274 19431 1379 1 4 . 1 1 34 34 SER CA C 34 58.953 58.953 60.698 -1.745 19431 1380 1 4 . 1 1 34 34 SER CB C 34 59.683 59.683 63.197 -3.514 19431 1381 1 4 . 1 1 35 35 TRP N N 35 123.977 123.977 122.257 1.720 19431 1382 1 4 . 1 1 35 35 TRP CA C 35 57.894 57.894 60.438 -2.544 19431 1383 1 4 . 1 1 35 35 TRP CB C 35 25.531 25.531 29.485 -3.954 19431 1384 1 4 . 1 1 36 36 LYS N N 36 117.633 117.633 118.592 -0.959 19431 1385 1 4 . 1 1 36 36 LYS HA H 36 3.128 3.128 3.962 -0.834 19431 1386 1 4 . 1 1 36 36 LYS CA C 36 55.998 55.998 59.503 -3.505 19431 1387 1 4 . 1 1 36 36 LYS CB C 36 29.304 29.304 32.131 -2.827 19431 1388 1 4 . 1 1 37 37 SER N N 37 109.835 109.835 114.220 -4.385 19431 1389 1 4 . 1 1 37 37 SER HA H 37 3.989 3.989 4.232 -0.243 19431 1390 1 4 . 1 1 37 37 SER CA C 37 57.765 57.765 60.083 -2.318 19431 1391 1 4 . 1 1 37 37 SER CB C 37 60.606 60.606 62.713 -2.107 19431 1392 1 4 . 1 1 38 38 ARG N N 38 119.946 119.946 119.687 0.259 19431 1393 1 4 . 1 1 38 38 ARG HA H 38 4.144 4.144 4.028 0.116 19431 1394 1 4 . 1 1 38 38 ARG CA C 38 51.208 51.208 57.667 -6.459 19431 1395 1 4 . 1 1 38 38 ARG CB C 38 25.717 25.717 30.176 -4.459 19431 1396 1 4 . 1 1 39 39 PHE N N 39 117.529 117.529 115.824 1.705 19431 1397 1 4 . 1 1 39 39 PHE HA H 39 4.855 4.855 5.021 -0.166 19431 1398 1 4 . 1 1 39 39 PHE CA C 39 54.234 54.234 57.584 -3.350 19431 1399 1 4 . 1 1 39 39 PHE CB C 39 37.547 37.547 39.844 -2.297 19431 1400 1 4 . 1 1 40 40 THR N N 40 113.296 113.296 112.371 0.925 19431 1401 1 4 . 1 1 40 40 THR HA H 40 3.991 3.991 4.361 -0.370 19431 1402 1 4 . 1 1 40 40 THR CA C 40 59.704 59.704 60.898 -1.194 19431 1403 1 4 . 1 1 40 40 THR CB C 40 66.175 66.175 70.885 -4.710 19431 1404 1 4 . 1 1 41 41 LYS N N 41 124.924 124.924 120.450 4.474 19431 1405 1 4 . 1 1 41 41 LYS HA H 41 3.713 3.713 4.073 -0.360 19431 1406 1 4 . 1 1 41 41 LYS CA C 41 57.650 57.650 60.114 -2.464 19431 1407 1 4 . 1 1 41 41 LYS CB C 41 29.363 29.363 32.129 -2.766 19431 1408 1 4 . 1 1 42 42 ASP N N 42 116.255 116.255 119.955 -3.700 19431 1409 1 4 . 1 1 42 42 ASP HA H 42 4.343 4.343 4.496 -0.153 19431 1410 1 4 . 1 1 42 42 ASP CA C 42 53.841 53.841 57.120 -3.279 19431 1411 1 4 . 1 1 42 42 ASP CB C 42 37.703 37.703 40.937 -3.234 19431 1412 1 4 . 1 1 43 43 LEU N N 43 119.134 119.134 119.366 -0.232 19431 1413 1 4 . 1 1 43 43 LEU HA H 43 4.320 4.320 3.952 0.368 19431 1414 1 4 . 1 1 43 43 LEU CA C 43 52.423 52.423 57.559 -5.136 19431 1415 1 4 . 1 1 43 43 LEU CB C 43 40.023 40.023 41.664 -1.641 19431 1416 1 4 . 1 1 44 44 GLN N N 44 119.455 119.455 118.534 0.921 19431 1417 1 4 . 1 1 44 44 GLN HA H 44 3.466 3.466 3.945 -0.479 19431 1418 1 4 . 1 1 44 44 GLN CA C 44 57.437 57.437 59.221 -1.784 19431 1419 1 4 . 1 1 44 44 GLN CB C 44 25.394 25.394 28.491 -3.098 19431 1420 1 4 . 1 1 45 45 SER N N 45 110.605 110.605 111.373 -0.768 19431 1421 1 4 . 1 1 45 45 SER HA H 45 4.211 4.211 4.443 -0.232 19431 1422 1 4 . 1 1 45 45 SER CA C 45 57.621 57.621 59.496 -1.875 19431 1423 1 4 . 1 1 45 45 SER CB C 45 60.094 60.094 63.368 -3.274 19431 1424 1 4 . 1 1 46 46 SER N N 46 115.075 115.075 115.413 -0.338 19431 1425 1 4 . 1 1 46 46 SER HA H 46 4.473 4.473 4.530 -0.057 19431 1426 1 4 . 1 1 46 46 SER CA C 46 55.739 55.739 58.166 -2.427 19431 1427 1 4 . 1 1 46 46 SER CB C 46 61.628 61.628 64.092 -2.464 19431 1428 1 4 . 1 1 47 47 LEU N N 47 124.984 124.984 123.989 0.995 19431 1429 1 4 . 1 1 47 47 LEU HA H 47 4.334 4.334 4.269 0.065 19431 1430 1 4 . 1 1 47 47 LEU CA C 47 52.040 52.040 55.239 -3.199 19431 1431 1 4 . 1 1 47 47 LEU CB C 47 39.810 39.810 42.537 -2.727 19431 1432 1 4 . 1 1 48 48 THR N N 48 111.152 111.152 113.654 -2.502 19431 1433 1 4 . 1 1 48 48 THR HA H 48 4.665 4.665 4.588 0.077 19431 1434 1 4 . 1 1 48 48 THR CA C 48 56.718 56.718 61.088 -4.370 19431 1435 1 4 . 1 1 48 48 THR CB C 48 69.103 69.103 70.390 -1.287 19431 1436 1 4 . 1 1 49 49 GLU N N 49 124.552 124.552 124.541 0.011 19431 1437 1 4 . 1 1 49 49 GLU HA H 49 3.194 3.194 4.336 -1.142 19431 1438 1 4 . 1 1 49 49 GLU CA C 49 56.770 56.770 59.456 -2.686 19431 1439 1 4 . 1 1 49 49 GLU CB C 49 26.148 26.148 29.744 -3.596 19431 1440 1 4 . 1 1 50 50 GLU N N 50 118.615 118.615 119.722 -1.107 19431 1441 1 4 . 1 1 50 50 GLU HA H 50 4.000 4.000 4.004 -0.004 19431 1442 1 4 . 1 1 50 50 GLU CA C 50 57.357 57.357 58.649 -1.292 19431 1443 1 4 . 1 1 50 50 GLU CB C 50 26.511 26.511 29.291 -2.780 19431 1444 1 4 . 1 1 51 51 SER N N 51 116.380 116.380 114.917 1.463 19431 1445 1 4 . 1 1 51 51 SER HA H 51 4.256 4.256 4.341 -0.085 19431 1446 1 4 . 1 1 51 51 SER CA C 51 58.825 58.825 61.849 -3.024 19431 1447 1 4 . 1 1 51 51 SER CB C 51 59.884 59.884 63.091 -3.207 19431 1448 1 4 . 1 1 52 52 TYR N N 52 125.611 125.611 117.685 7.926 19431 1449 1 4 . 1 1 52 52 TYR CB C 52 36.647 36.647 38.181 -1.534 19431 1450 1 4 . 1 1 53 53 ASP N N 53 119.653 119.653 120.313 -0.660 19431 1451 1 4 . 1 1 53 53 ASP HA H 53 4.115 4.115 4.103 0.012 19431 1452 1 4 . 1 1 53 53 ASP CA C 53 54.553 54.553 57.167 -2.614 19431 1453 1 4 . 1 1 53 53 ASP CB C 53 37.477 37.477 40.489 -3.012 19431 1454 1 4 . 1 1 54 54 SER N N 54 114.883 114.883 114.722 0.161 19431 1455 1 4 . 1 1 54 54 SER HA H 54 3.946 3.946 4.148 -0.202 19431 1456 1 4 . 1 1 54 54 SER CA C 54 59.741 59.741 61.073 -1.332 19431 1457 1 4 . 1 1 54 54 SER CB C 54 59.750 59.750 63.340 -3.590 19431 1458 1 4 . 1 1 55 55 TYR N N 55 123.933 123.933 122.901 1.032 19431 1459 1 4 . 1 1 55 55 TYR HA H 55 4.361 4.361 4.237 0.124 19431 1460 1 4 . 1 1 55 55 TYR CA C 55 57.213 57.213 61.188 -3.975 19431 1461 1 4 . 1 1 55 55 TYR CB C 55 34.024 34.024 38.308 -4.284 19431 1462 1 4 . 1 1 56 56 LEU N N 56 119.758 119.758 119.283 0.475 19431 1463 1 4 . 1 1 56 56 LEU HA H 56 3.252 3.252 3.524 -0.272 19431 1464 1 4 . 1 1 56 56 LEU CA C 56 54.681 54.681 57.721 -3.041 19431 1465 1 4 . 1 1 56 56 LEU CB C 56 38.151 38.151 41.259 -3.108 19431 1466 1 4 . 1 1 57 57 LYS N N 57 118.487 118.487 119.059 -0.572 19431 1467 1 4 . 1 1 57 57 LYS HA H 57 3.852 3.852 3.928 -0.076 19431 1468 1 4 . 1 1 57 57 LYS CA C 57 56.090 56.090 59.700 -3.610 19431 1469 1 4 . 1 1 57 57 LYS CB C 57 29.683 29.683 32.047 -2.364 19431 1470 1 4 . 1 1 58 58 ILE N N 58 120.887 120.887 118.350 2.537 19431 1471 1 4 . 1 1 58 58 ILE HA H 58 3.591 3.591 3.726 -0.135 19431 1472 1 4 . 1 1 58 58 ILE CA C 58 61.366 61.366 64.207 -2.841 19431 1473 1 4 . 1 1 58 58 ILE CB C 58 35.144 35.144 37.650 -2.506 19431 1474 1 4 . 1 1 59 59 LEU N N 59 122.273 122.273 120.931 1.342 19431 1475 1 4 . 1 1 59 59 LEU HA H 59 3.437 3.437 3.652 -0.215 19431 1476 1 4 . 1 1 59 59 LEU CA C 59 54.847 54.847 58.062 -3.215 19431 1477 1 4 . 1 1 59 59 LEU CB C 59 39.071 39.071 41.328 -2.257 19431 1478 1 4 . 1 1 60 60 GLU N N 60 118.591 118.591 116.577 2.014 19431 1479 1 4 . 1 1 60 60 GLU HA H 60 3.810 3.810 3.995 -0.185 19431 1480 1 4 . 1 1 60 60 GLU CA C 60 56.156 56.156 59.006 -2.850 19431 1481 1 4 . 1 1 60 60 GLU CB C 60 26.820 26.820 29.604 -2.784 19431 1482 1 4 . 1 1 61 61 LYS N N 61 115.698 115.698 113.805 1.893 19431 1483 1 4 . 1 1 61 61 LYS HA H 61 4.029 4.029 4.460 -0.431 19431 1484 1 4 . 1 1 61 61 LYS CA C 61 54.164 54.164 56.085 -1.921 19431 1485 1 4 . 1 1 61 61 LYS CB C 61 29.581 29.581 32.258 -2.676 19431 1486 1 4 . 1 1 62 62 GLN N N 62 114.863 114.863 118.769 -3.906 19431 1487 1 4 . 1 1 62 62 GLN HA H 62 3.851 3.851 4.276 -0.425 19431 1488 1 4 . 1 1 62 62 GLN CA C 62 52.258 52.258 55.339 -3.081 19431 1489 1 4 . 1 1 62 62 GLN CB C 62 25.186 25.186 29.372 -4.186 19431 1490 1 4 . 1 1 63 63 GLY N N 63 101.724 101.724 107.291 -5.567 19431 1491 1 4 . 1 1 63 63 GLY CA C 63 41.815 41.815 44.492 -2.678 19431 1492 1 4 . 1 1 64 64 GLU N N 64 118.731 118.731 120.395 -1.664 19431 1493 1 4 . 1 1 64 64 GLU HA H 64 4.137 4.137 4.587 -0.450 19431 1494 1 4 . 1 1 64 64 GLU CA C 64 54.598 54.598 54.889 -0.291 19431 1495 1 4 . 1 1 64 64 GLU CB C 64 28.312 28.312 31.404 -3.092 19431 1496 1 4 . 1 1 65 65 PHE N N 65 123.366 123.366 126.095 -2.729 19431 1497 1 4 . 1 1 65 65 PHE HA H 65 3.825 3.825 3.773 0.052 19431 1498 1 4 . 1 1 65 65 PHE CA C 65 57.419 57.419 57.362 0.057 19431 1499 1 4 . 1 1 65 65 PHE CB C 65 36.666 36.666 38.695 -2.029 19431 1500 1 4 . 1 1 66 66 LYS N N 66 125.336 125.336 126.526 -1.190 19431 1501 1 4 . 1 1 66 66 LYS HA H 66 4.168 4.168 4.007 0.161 19431 1502 1 4 . 1 1 66 66 LYS CA C 66 53.226 53.226 55.941 -2.715 19431 1503 1 4 . 1 1 66 66 LYS CB C 66 30.293 30.293 34.037 -3.744 19431 1504 1 4 . 1 1 67 67 GLU N N 67 112.076 112.076 117.539 -5.463 19431 1505 1 4 . 1 1 67 67 GLU HA H 67 4.069 4.069 4.149 -0.080 19431 1506 1 4 . 1 1 67 67 GLU CA C 67 52.907 52.907 55.721 -2.814 19431 1507 1 4 . 1 1 67 67 GLU CB C 67 29.378 29.378 32.304 -2.926 19431 1508 1 4 . 1 1 68 68 PHE N N 68 118.706 118.706 120.820 -2.114 19431 1509 1 4 . 1 1 68 68 PHE CB C 68 38.408 38.408 39.970 -1.562 19431 1510 1 4 . 1 1 69 69 GLY N N 69 112.889 112.889 111.346 1.543 19431 1511 1 4 . 1 1 69 69 GLY CA C 69 41.353 41.353 44.807 -3.454 19431 1512 1 4 . 1 1 70 70 LYS N N 70 122.409 122.409 117.634 4.775 19431 1513 1 4 . 1 1 70 70 LYS HA H 70 4.085 4.085 4.667 -0.582 19431 1514 1 4 . 1 1 70 70 LYS CA C 70 54.418 54.418 55.197 -0.779 19431 1515 1 4 . 1 1 70 70 LYS CB C 70 31.197 31.197 36.318 -5.121 19431 1516 1 4 . 1 1 71 71 CYS N N 71 118.509 118.509 118.274 0.235 19431 1517 1 4 . 1 1 71 71 CYS HA H 71 5.332 5.332 5.514 -0.182 19431 1518 1 4 . 1 1 71 71 CYS CA C 71 54.655 54.655 56.487 -1.832 19431 1519 1 4 . 1 1 71 71 CYS CB C 71 28.223 28.223 29.741 -1.518 19431 1520 1 4 . 1 1 72 72 THR N N 72 120.129 120.129 120.134 -0.005 19431 1521 1 4 . 1 1 72 72 THR HA H 72 4.272 4.272 4.459 -0.187 19431 1522 1 4 . 1 1 72 72 THR CA C 72 58.652 58.652 61.528 -2.876 19431 1523 1 4 . 1 1 72 72 THR CB C 72 68.199 68.199 71.098 -2.899 19431 1524 1 4 . 1 1 73 73 TYR N N 73 122.772 122.772 123.386 -0.614 19431 1525 1 4 . 1 1 73 73 TYR HA H 73 5.034 5.034 5.531 -0.497 19431 1526 1 4 . 1 1 73 73 TYR CA C 73 55.497 55.497 56.670 -1.173 19431 1527 1 4 . 1 1 73 73 TYR CB C 73 38.271 38.271 41.124 -2.853 19431 1528 1 4 . 1 1 74 74 LEU N N 74 117.980 117.980 117.057 0.923 19431 1529 1 4 . 1 1 74 74 LEU HA H 74 4.466 4.466 5.089 -0.623 19431 1530 1 4 . 1 1 74 74 LEU CA C 74 51.805 51.805 53.562 -1.757 19431 1531 1 4 . 1 1 74 74 LEU CB C 74 42.030 42.030 45.711 -3.681 19431 1532 1 4 . 1 1 75 75 GLY N N 75 105.257 105.257 105.543 -0.286 19431 1533 1 4 . 1 1 75 75 GLY CA C 75 42.799 42.799 44.398 -1.599 19431 1534 1 4 . 1 1 76 76 GLN N N 76 119.071 119.071 117.647 1.424 19431 1535 1 4 . 1 1 76 76 GLN HA H 76 4.938 4.938 4.957 -0.019 19431 1536 1 4 . 1 1 76 76 GLN CA C 76 52.495 52.495 54.931 -2.436 19431 1537 1 4 . 1 1 76 76 GLN CB C 76 30.498 30.498 33.720 -3.222 19431 1538 1 4 . 1 1 77 77 ILE N N 77 123.550 123.550 123.247 0.303 19431 1539 1 4 . 1 1 77 77 ILE HA H 77 4.992 4.992 5.200 -0.208 19431 1540 1 4 . 1 1 77 77 ILE CA C 77 57.239 57.239 60.309 -3.070 19431 1541 1 4 . 1 1 77 77 ILE CB C 77 36.664 36.664 39.751 -3.087 19431 1542 1 4 . 1 1 78 78 LYS N N 78 127.532 127.532 127.855 -0.323 19431 1543 1 4 . 1 1 78 78 LYS HA H 78 4.585 4.585 4.271 0.314 19431 1544 1 4 . 1 1 78 78 LYS CA C 78 52.768 52.768 58.991 -6.223 19431 1545 1 4 . 1 1 78 78 LYS CB C 78 32.536 32.536 32.962 -0.426 19431 1546 1 4 . 1 1 79 79 ASP N N 79 128.019 128.019 117.674 10.345 19431 1547 1 4 . 1 1 79 79 ASP HA H 79 4.168 4.168 4.606 -0.438 19431 1548 1 4 . 1 1 79 79 ASP CA C 79 53.258 53.258 55.078 -1.820 19431 1549 1 4 . 1 1 79 79 ASP CB C 79 36.826 36.826 41.417 -4.591 19431 1550 1 4 . 1 1 80 80 ASN N N 80 110.608 110.608 116.223 -5.615 19431 1551 1 4 . 1 1 80 80 ASN HA H 80 4.168 4.168 4.693 -0.525 19431 1552 1 4 . 1 1 80 80 ASN CA C 80 51.912 51.912 53.145 -1.232 19431 1553 1 4 . 1 1 80 80 ASN CB C 80 35.506 35.506 39.315 -3.809 19431 1554 1 4 . 1 1 81 81 LYS N N 81 121.116 121.116 121.066 0.050 19431 1555 1 4 . 1 1 81 81 LYS HA H 81 4.482 4.482 4.465 0.017 19431 1556 1 4 . 1 1 81 81 LYS CA C 81 52.353 52.353 55.592 -3.239 19431 1557 1 4 . 1 1 81 81 LYS CB C 81 32.119 32.119 33.706 -1.587 19431 1558 1 4 . 1 1 82 82 LYS N N 82 119.259 119.259 121.606 -2.347 19431 1559 1 4 . 1 1 82 82 LYS HA H 82 4.765 4.765 5.519 -0.753 19431 1560 1 4 . 1 1 82 82 LYS CA C 82 52.722 52.722 54.974 -2.252 19431 1561 1 4 . 1 1 82 82 LYS CB C 82 32.934 32.934 35.869 -2.935 19431 1562 1 4 . 1 1 83 83 TYR N N 83 118.176 118.176 120.142 -1.966 19431 1563 1 4 . 1 1 83 83 TYR HA H 83 5.275 5.275 4.994 0.281 19431 1564 1 4 . 1 1 83 83 TYR CA C 83 53.383 53.383 56.904 -3.521 19431 1565 1 4 . 1 1 83 83 TYR CB C 83 38.026 38.026 42.352 -4.326 19431 1566 1 4 . 1 1 84 84 GLY N N 84 111.686 111.686 109.347 2.339 19431 1567 1 4 . 1 1 84 84 GLY CA C 84 41.219 41.219 43.039 -1.820 19431 1568 1 4 . 1 1 85 85 GLY N N 85 111.232 111.232 110.423 0.809 19431 1569 1 4 . 1 1 85 85 GLY CA C 85 42.272 42.272 43.226 -0.954 19431 1570 1 4 . 1 1 86 86 VAL N N 86 115.256 115.256 122.971 -7.715 19431 1571 1 4 . 1 1 86 86 VAL HA H 86 5.127 5.127 5.276 -0.149 19431 1572 1 4 . 1 1 86 86 VAL CA C 86 55.741 55.741 59.380 -3.639 19431 1573 1 4 . 1 1 86 86 VAL CB C 86 33.129 33.129 34.704 -1.575 19431 1574 1 4 . 1 1 87 87 ILE N N 87 125.124 125.124 130.531 -5.407 19431 1575 1 4 . 1 1 87 87 ILE HA H 87 5.206 5.206 4.780 0.426 19431 1576 1 4 . 1 1 87 87 ILE CA C 87 57.168 57.168 60.661 -3.493 19431 1577 1 4 . 1 1 87 87 ILE CB C 87 36.590 36.590 37.434 -0.844 19431 1578 1 4 . 1 1 88 88 ILE N N 88 128.056 128.056 129.682 -1.626 19431 1579 1 4 . 1 1 88 88 ILE HA H 88 5.146 5.146 4.835 0.311 19431 1580 1 4 . 1 1 88 88 ILE CA C 88 55.356 55.356 59.380 -4.024 19431 1581 1 4 . 1 1 88 88 ILE CB C 88 39.847 39.847 39.960 -0.113 19431 1582 1 4 . 1 1 89 89 VAL N N 89 128.326 128.326 127.719 0.607 19431 1583 1 4 . 1 1 89 89 VAL HA H 89 4.387 4.387 5.240 -0.853 19431 1584 1 4 . 1 1 89 89 VAL CA C 89 59.839 59.839 60.173 -0.334 19431 1585 1 4 . 1 1 89 89 VAL CB C 89 30.295 30.295 32.786 -2.491 19431 1586 1 4 . 1 1 90 90 VAL N N 90 128.738 128.738 124.552 4.186 19431 1587 1 4 . 1 1 90 90 VAL HA H 90 4.207 4.207 4.813 -0.606 19431 1588 1 4 . 1 1 90 90 VAL CA C 90 59.722 59.722 60.634 -0.912 19431 1589 1 4 . 1 1 90 90 VAL CB C 90 31.537 31.537 35.789 -4.252 19431 1590 1 4 . 1 1 91 91 LYS N N 91 126.004 126.004 130.236 -4.232 19431 1591 1 4 . 1 1 91 91 LYS HA H 91 4.629 4.629 4.916 -0.287 19431 1592 1 4 . 1 1 91 91 LYS CA C 91 52.972 52.972 55.789 -2.817 19431 1593 1 4 . 1 1 91 91 LYS CB C 91 30.789 30.789 31.820 -1.031 19431 1594 1 4 . 1 1 92 92 TYR N N 92 123.932 123.932 124.450 -0.518 19431 1595 1 4 . 1 1 92 92 TYR HA H 92 4.940 4.940 4.817 0.123 19431 1596 1 4 . 1 1 92 92 TYR CA C 92 53.905 53.905 57.464 -3.559 19431 1597 1 4 . 1 1 92 92 TYR CB C 92 39.331 39.331 39.792 -0.461 19431 1598 1 4 . 1 1 93 93 GLU N N 93 122.195 122.195 119.321 2.874 19431 1599 1 4 . 1 1 93 93 GLU HA H 93 3.834 3.834 4.161 -0.327 19431 1600 1 4 . 1 1 93 93 GLU CA C 93 57.465 57.465 58.747 -1.282 19431 1601 1 4 . 1 1 93 93 GLU CB C 93 28.695 28.695 29.920 -1.225 19431 1602 1 4 . 1 1 94 94 GLU N N 94 110.219 110.219 115.225 -5.006 19431 1603 1 4 . 1 1 94 94 GLU HA H 94 4.440 4.440 4.548 -0.108 19431 1604 1 4 . 1 1 94 94 GLU CA C 94 52.555 52.555 56.367 -3.812 19431 1605 1 4 . 1 1 94 94 GLU CB C 94 26.861 26.861 33.051 -6.190 19431 1606 1 4 . 1 1 95 95 GLY N N 95 106.566 106.566 109.296 -2.730 19431 1607 1 4 . 1 1 95 95 GLY CA C 95 42.542 42.542 44.423 -1.881 19431 1608 1 4 . 1 1 96 96 ASN N N 96 116.707 116.707 121.152 -4.445 19431 1609 1 4 . 1 1 96 96 ASN HA H 96 5.720 5.720 6.008 -0.288 19431 1610 1 4 . 1 1 96 96 ASN CA C 96 49.003 49.003 51.663 -2.660 19431 1611 1 4 . 1 1 96 96 ASN CB C 96 37.602 37.602 40.590 -2.988 19431 1612 1 4 . 1 1 97 97 VAL N N 97 122.002 122.002 123.346 -1.344 19431 1613 1 4 . 1 1 97 97 VAL HA H 97 4.117 4.117 4.181 -0.064 19431 1614 1 4 . 1 1 97 97 VAL CA C 97 58.404 58.404 60.442 -2.038 19431 1615 1 4 . 1 1 97 97 VAL CB C 97 33.456 33.456 32.023 1.433 19431 1616 1 4 . 1 1 98 98 ASN N N 98 124.376 124.376 126.167 -1.791 19431 1617 1 4 . 1 1 98 98 ASN HA H 98 5.135 5.135 4.929 0.206 19431 1618 1 4 . 1 1 98 98 ASN CA C 98 48.630 48.630 52.091 -3.461 19431 1619 1 4 . 1 1 98 98 ASN CB C 98 36.031 36.031 38.060 -2.029 19431 1620 1 4 . 1 1 99 99 TYR N N 99 123.932 123.932 124.133 -0.201 19431 1621 1 4 . 1 1 99 99 TYR HA H 99 4.640 4.640 4.593 0.047 19431 1622 1 4 . 1 1 99 99 TYR CA C 99 55.468 55.468 58.471 -3.002 19431 1623 1 4 . 1 1 99 99 TYR CB C 99 38.122 38.122 38.318 -0.196 19431 1624 1 4 . 1 1 100 100 SER N N 100 115.327 115.327 120.469 -5.142 19431 1625 1 4 . 1 1 100 100 SER HA H 100 5.242 5.242 4.686 0.556 19431 1626 1 4 . 1 1 100 100 SER CA C 100 53.767 53.767 58.113 -4.346 19431 1627 1 4 . 1 1 100 100 SER CB C 100 60.649 60.649 61.650 -1.001 19431 1628 1 4 . 1 1 101 101 LEU N N 101 130.521 130.521 126.337 4.184 19431 1629 1 4 . 1 1 101 101 LEU HA H 101 4.978 4.978 4.618 0.360 19431 1630 1 4 . 1 1 101 101 LEU CA C 101 51.756 51.756 54.259 -2.503 19431 1631 1 4 . 1 1 101 101 LEU CB C 101 42.765 42.765 42.458 0.307 19431 1632 1 4 . 1 1 102 102 ALA N N 102 121.373 121.373 126.461 -5.088 19431 1633 1 4 . 1 1 102 102 ALA HA H 102 4.994 4.994 5.339 -0.345 19431 1634 1 4 . 1 1 102 102 ALA CA C 102 48.505 48.505 49.934 -1.429 19431 1635 1 4 . 1 1 102 102 ALA CB C 102 19.355 19.355 22.890 -3.535 19431 1636 1 4 . 1 1 103 103 TYR N N 103 120.633 120.633 120.472 0.161 19431 1637 1 4 . 1 1 103 103 TYR HA H 103 5.311 5.311 5.725 -0.414 19431 1638 1 4 . 1 1 103 103 TYR CA C 103 55.519 55.519 56.069 -0.550 19431 1639 1 4 . 1 1 103 103 TYR CB C 103 42.037 42.037 41.829 0.208 19431 1640 1 4 . 1 1 104 104 ASP N N 104 118.129 118.129 119.375 -1.246 19431 1641 1 4 . 1 1 104 104 ASP HA H 104 5.163 5.163 4.850 0.313 19431 1642 1 4 . 1 1 104 104 ASP CA C 104 49.372 49.372 52.295 -2.923 19431 1643 1 4 . 1 1 104 104 ASP CB C 104 39.054 39.054 43.775 -4.721 19431 1644 1 4 . 1 1 105 105 GLU N N 105 115.031 115.031 118.250 -3.219 19431 1645 1 4 . 1 1 105 105 GLU HA H 105 3.624 3.624 4.253 -0.629 19431 1646 1 4 . 1 1 105 105 GLU CA C 105 55.976 55.976 58.130 -2.154 19431 1647 1 4 . 1 1 105 105 GLU CB C 105 27.111 27.111 29.784 -2.673 19431 1648 1 4 . 1 1 106 106 ASP N N 106 119.038 119.038 118.198 0.840 19431 1649 1 4 . 1 1 107 107 MET N N 107 111.995 111.995 114.781 -2.786 19431 1650 1 4 . 1 1 107 107 MET HA H 107 4.343 4.343 4.186 0.157 19431 1651 1 4 . 1 1 107 107 MET CA C 107 51.671 51.671 56.575 -4.904 19431 1652 1 4 . 1 1 107 107 MET CB C 107 21.629 21.629 30.657 -9.027 19431 1653 1 4 . 1 1 108 108 ASN N N 108 117.079 117.079 117.410 -0.331 19431 1654 1 4 . 1 1 108 108 ASN HA H 108 5.111 5.111 4.717 0.394 19431 1655 1 4 . 1 1 108 108 ASN CA C 108 49.519 49.519 53.193 -3.674 19431 1656 1 4 . 1 1 108 108 ASN CB C 108 37.221 37.221 39.572 -2.352 19431 1657 1 4 . 1 1 109 109 LEU N N 109 122.211 122.211 122.310 -0.099 19431 1658 1 4 . 1 1 109 109 LEU HA H 109 4.020 4.020 4.277 -0.257 19431 1659 1 4 . 1 1 109 109 LEU CA C 109 52.898 52.898 56.471 -3.573 19431 1660 1 4 . 1 1 109 109 LEU CB C 109 40.774 40.774 41.683 -0.909 19431 1661 1 4 . 1 1 110 110 VAL N N 110 109.806 109.806 125.776 -15.970 19431 1662 1 4 . 1 1 110 110 VAL HA H 110 4.551 4.551 4.282 0.269 19431 1663 1 4 . 1 1 110 110 VAL CA C 110 57.276 57.276 62.345 -5.069 19431 1664 1 4 . 1 1 110 110 VAL CB C 110 30.242 30.242 33.709 -3.467 19431 1665 1 4 . 1 1 111 111 SER N N 111 113.487 113.487 115.282 -1.795 19431 1666 1 4 . 1 1 111 111 SER HA H 111 4.476 4.476 4.714 -0.238 19431 1667 1 4 . 1 1 111 111 SER CA C 111 55.637 55.637 58.042 -2.405 19431 1668 1 4 . 1 1 111 111 SER CB C 111 61.288 61.288 65.909 -4.621 19431 1669 1 4 . 1 1 112 112 PHE N N 112 126.988 126.988 125.867 1.121 19431 1670 1 4 . 1 1 112 112 PHE HA H 112 4.991 4.991 5.134 -0.143 19431 1671 1 4 . 1 1 112 112 PHE CA C 112 55.305 55.305 56.987 -1.682 19431 1672 1 4 . 1 1 112 112 PHE CB C 112 40.128 40.128 42.208 -2.080 19431 1673 1 4 . 1 1 113 113 THR N N 113 120.333 120.333 122.784 -2.451 19431 1674 1 4 . 1 1 113 113 THR HA H 113 4.775 4.775 4.208 0.567 19431 1675 1 4 . 1 1 113 113 THR CA C 113 57.888 57.888 61.018 -3.130 19431 1676 1 4 . 1 1 113 113 THR CB C 113 69.193 69.193 71.483 -2.290 19431 1677 1 5 . 1 1 2 2 GLU HA H 2 4.446 4.446 4.646 -0.200 19431 1678 1 5 . 1 1 2 2 GLU CA C 2 53.359 53.359 55.365 -2.006 19431 1679 1 5 . 1 1 2 2 GLU CB C 2 29.108 29.108 32.565 -3.457 19431 1680 1 5 . 1 1 3 3 ILE N N 3 123.144 123.144 123.447 -0.303 19431 1681 1 5 . 1 1 3 3 ILE HA H 3 4.358 4.358 4.430 -0.072 19431 1682 1 5 . 1 1 3 3 ILE CA C 3 57.727 57.727 59.498 -1.772 19431 1683 1 5 . 1 1 3 3 ILE CB C 3 35.665 35.665 37.299 -1.634 19431 1684 1 5 . 1 1 4 4 LEU N N 4 127.461 127.461 128.408 -0.947 19431 1685 1 5 . 1 1 4 4 LEU HA H 4 4.554 4.554 4.445 0.109 19431 1686 1 5 . 1 1 4 4 LEU CA C 4 51.011 51.011 54.747 -3.736 19431 1687 1 5 . 1 1 4 4 LEU CB C 4 41.209 41.209 42.876 -1.667 19431 1688 1 5 . 1 1 5 5 LYS N N 5 121.611 121.611 119.266 2.345 19431 1689 1 5 . 1 1 5 5 LYS HA H 5 4.436 4.436 4.376 0.060 19431 1690 1 5 . 1 1 5 5 LYS CA C 5 53.150 53.150 56.220 -3.070 19431 1691 1 5 . 1 1 5 5 LYS CB C 5 29.359 29.359 31.900 -2.541 19431 1692 1 5 . 1 1 6 6 GLU N N 6 115.825 115.825 116.721 -0.896 19431 1693 1 5 . 1 1 6 6 GLU HA H 6 4.269 4.269 4.566 -0.297 19431 1694 1 5 . 1 1 6 6 GLU CA C 6 51.331 51.331 54.775 -3.443 19431 1695 1 5 . 1 1 6 6 GLU CB C 6 29.583 29.583 32.125 -2.542 19431 1696 1 5 . 1 1 7 7 LEU N N 7 118.967 118.967 122.269 -3.302 19431 1697 1 5 . 1 1 7 7 LEU HA H 7 4.311 4.311 4.669 -0.358 19431 1698 1 5 . 1 1 7 7 LEU CA C 7 50.182 50.182 52.736 -2.554 19431 1699 1 5 . 1 1 7 7 LEU CB C 7 39.422 39.422 41.440 -2.018 19431 1700 1 5 . 1 1 8 8 PRO HA H 8 4.432 4.432 4.591 -0.159 19431 1701 1 5 . 1 1 8 8 PRO CA C 8 59.119 59.119 62.118 -2.999 19431 1702 1 5 . 1 1 8 8 PRO CB C 8 29.306 29.306 32.605 -3.300 19431 1703 1 5 . 1 1 9 9 GLU N N 9 121.059 121.059 118.589 2.470 19431 1704 1 5 . 1 1 9 9 GLU HA H 9 4.033 4.033 4.075 -0.042 19431 1705 1 5 . 1 1 9 9 GLU CA C 9 55.281 55.281 57.962 -2.681 19431 1706 1 5 . 1 1 9 9 GLU CB C 9 26.864 26.864 29.666 -2.802 19431 1707 1 5 . 1 1 10 10 GLY N N 10 112.279 112.279 112.010 0.269 19431 1708 1 5 . 1 1 10 10 GLY CA C 10 42.029 42.029 44.376 -2.347 19431 1709 1 5 . 1 1 11 11 PHE N N 11 117.612 117.612 120.762 -3.150 19431 1710 1 5 . 1 1 11 11 PHE HA H 11 4.660 4.660 4.782 -0.122 19431 1711 1 5 . 1 1 11 11 PHE CA C 11 54.280 54.280 56.494 -2.214 19431 1712 1 5 . 1 1 11 11 PHE CB C 11 39.721 39.721 40.628 -0.907 19431 1713 1 5 . 1 1 12 12 ASP N N 12 121.568 121.568 121.079 0.489 19431 1714 1 5 . 1 1 12 12 ASP HA H 12 4.875 4.875 4.827 0.048 19431 1715 1 5 . 1 1 12 12 ASP CA C 12 49.676 49.676 52.739 -3.063 19431 1716 1 5 . 1 1 12 12 ASP CB C 12 42.307 42.307 42.560 -0.253 19431 1717 1 5 . 1 1 13 13 LYS N N 13 125.770 125.770 125.671 0.099 19431 1718 1 5 . 1 1 13 13 LYS HA H 13 3.294 3.294 3.328 -0.034 19431 1719 1 5 . 1 1 13 13 LYS CA C 13 58.046 58.046 60.383 -2.337 19431 1720 1 5 . 1 1 13 13 LYS CB C 13 30.216 30.216 32.134 -1.918 19431 1721 1 5 . 1 1 14 14 GLU N N 14 118.590 118.590 118.651 -0.061 19431 1722 1 5 . 1 1 14 14 GLU HA H 14 4.090 4.090 4.130 -0.040 19431 1723 1 5 . 1 1 14 14 GLU CA C 14 56.364 56.364 59.754 -3.390 19431 1724 1 5 . 1 1 14 14 GLU CB C 14 26.479 26.479 29.293 -2.814 19431 1725 1 5 . 1 1 15 15 THR N N 15 118.372 118.372 117.903 0.469 19431 1726 1 5 . 1 1 15 15 THR HA H 15 3.737 3.737 4.035 -0.298 19431 1727 1 5 . 1 1 15 15 THR CA C 15 63.974 63.974 66.734 -2.760 19431 1728 1 5 . 1 1 15 15 THR CB C 15 65.565 65.565 68.822 -3.257 19431 1729 1 5 . 1 1 16 16 VAL N N 16 121.083 121.083 122.411 -1.328 19431 1730 1 5 . 1 1 16 16 VAL HA H 16 3.329 3.329 4.048 -0.719 19431 1731 1 5 . 1 1 16 16 VAL CA C 16 64.214 64.214 66.260 -2.046 19431 1732 1 5 . 1 1 16 16 VAL CB C 16 29.011 29.011 31.875 -2.864 19431 1733 1 5 . 1 1 17 17 ARG N N 17 119.409 119.409 120.279 -0.870 19431 1734 1 5 . 1 1 17 17 ARG HA H 17 3.737 3.737 3.998 -0.261 19431 1735 1 5 . 1 1 17 17 ARG CA C 17 58.049 58.049 59.780 -1.731 19431 1736 1 5 . 1 1 17 17 ARG CB C 17 27.401 27.401 30.153 -2.752 19431 1737 1 5 . 1 1 18 18 LYS N N 18 116.168 116.168 118.855 -2.687 19431 1738 1 5 . 1 1 18 18 LYS HA H 18 3.800 3.800 4.062 -0.262 19431 1739 1 5 . 1 1 18 18 LYS CA C 18 57.031 57.031 58.867 -1.836 19431 1740 1 5 . 1 1 18 18 LYS CB C 18 29.801 29.801 32.542 -2.741 19431 1741 1 5 . 1 1 19 19 GLN N N 19 120.008 120.008 119.254 0.754 19431 1742 1 5 . 1 1 19 19 GLN HA H 19 3.767 3.767 4.292 -0.525 19431 1743 1 5 . 1 1 19 19 GLN CA C 19 54.492 54.492 55.098 -0.606 19431 1744 1 5 . 1 1 19 19 GLN CB C 19 26.490 26.490 26.816 -0.326 19431 1745 1 5 . 1 1 20 20 ALA N N 20 122.405 122.405 122.620 -0.215 19431 1746 1 5 . 1 1 20 20 ALA HA H 20 4.404 4.404 4.490 -0.086 19431 1747 1 5 . 1 1 20 20 ALA CA C 20 52.036 52.036 53.552 -1.516 19431 1748 1 5 . 1 1 20 20 ALA CB C 20 16.407 16.407 19.517 -3.110 19431 1749 1 5 . 1 1 21 21 MET N N 21 115.042 115.042 119.516 -4.474 19431 1750 1 5 . 1 1 21 21 MET HA H 21 3.354 3.354 3.281 0.073 19431 1751 1 5 . 1 1 21 21 MET CA C 21 56.861 56.861 60.225 -3.365 19431 1752 1 5 . 1 1 21 21 MET CB C 21 30.538 30.538 32.505 -1.967 19431 1753 1 5 . 1 1 22 22 GLU N N 22 118.882 118.882 119.825 -0.943 19431 1754 1 5 . 1 1 22 22 GLU HA H 22 3.923 3.923 3.954 -0.031 19431 1755 1 5 . 1 1 22 22 GLU CA C 22 56.675 56.675 59.901 -3.226 19431 1756 1 5 . 1 1 22 22 GLU CB C 22 26.613 26.613 29.360 -2.747 19431 1757 1 5 . 1 1 23 23 ASP N N 23 122.549 122.549 119.392 3.157 19431 1758 1 5 . 1 1 23 23 ASP HA H 23 4.658 4.658 4.414 0.244 19431 1759 1 5 . 1 1 23 23 ASP CA C 23 55.053 55.053 57.461 -2.408 19431 1760 1 5 . 1 1 23 23 ASP CB C 23 37.479 37.479 40.016 -2.537 19431 1761 1 5 . 1 1 24 24 ILE N N 24 123.580 123.580 120.166 3.414 19431 1762 1 5 . 1 1 24 24 ILE HA H 24 3.678 3.678 3.686 -0.008 19431 1763 1 5 . 1 1 24 24 ILE CA C 24 63.201 63.201 65.084 -1.883 19431 1764 1 5 . 1 1 24 24 ILE CB C 24 35.138 35.138 37.945 -2.807 19431 1765 1 5 . 1 1 25 25 GLU N N 25 120.591 120.591 120.136 0.455 19431 1766 1 5 . 1 1 25 25 GLU HA H 25 3.885 3.885 4.136 -0.251 19431 1767 1 5 . 1 1 25 25 GLU CA C 25 57.824 57.824 59.430 -1.606 19431 1768 1 5 . 1 1 25 25 GLU CB C 25 25.883 25.883 29.742 -3.860 19431 1769 1 5 . 1 1 26 26 ILE N N 26 121.350 121.350 118.397 2.953 19431 1770 1 5 . 1 1 26 26 ILE HA H 26 3.718 3.718 3.804 -0.086 19431 1771 1 5 . 1 1 26 26 ILE CA C 26 62.881 62.881 65.146 -2.265 19431 1772 1 5 . 1 1 26 26 ILE CB C 26 35.324 35.324 38.193 -2.869 19431 1773 1 5 . 1 1 27 27 ALA N N 27 120.204 120.204 121.279 -1.075 19431 1774 1 5 . 1 1 28 28 GLN N N 28 114.627 114.627 115.848 -1.221 19431 1775 1 5 . 1 1 28 28 GLN CB C 28 26.380 26.380 29.022 -2.642 19431 1776 1 5 . 1 1 29 29 SER N N 29 115.031 115.031 112.988 2.043 19431 1777 1 5 . 1 1 29 29 SER HA H 29 4.260 4.260 4.584 -0.324 19431 1778 1 5 . 1 1 29 29 SER CA C 29 57.768 57.768 57.443 0.325 19431 1779 1 5 . 1 1 29 29 SER CB C 29 61.367 61.367 63.545 -2.178 19431 1780 1 5 . 1 1 30 30 LYS N N 30 112.834 112.834 119.374 -6.540 19431 1781 1 5 . 1 1 30 30 LYS HA H 30 4.228 4.228 3.726 0.502 19431 1782 1 5 . 1 1 30 30 LYS CA C 30 56.103 56.103 56.803 -0.700 19431 1783 1 5 . 1 1 30 30 LYS CB C 30 26.478 26.478 29.284 -2.806 19431 1784 1 5 . 1 1 31 31 ASP N N 31 121.067 121.067 119.374 1.693 19431 1785 1 5 . 1 1 31 31 ASP HA H 31 4.877 4.877 4.292 0.586 19431 1786 1 5 . 1 1 31 31 ASP CA C 31 49.742 49.742 53.770 -4.028 19431 1787 1 5 . 1 1 31 31 ASP CB C 31 38.652 38.652 43.014 -4.362 19431 1788 1 5 . 1 1 32 32 TYR N N 32 126.671 126.671 121.080 5.591 19431 1789 1 5 . 1 1 32 32 TYR HA H 32 3.311 3.311 4.362 -1.051 19431 1790 1 5 . 1 1 32 32 TYR CA C 32 57.951 57.951 60.260 -2.309 19431 1791 1 5 . 1 1 32 32 TYR CB C 32 36.158 36.158 38.895 -2.737 19431 1792 1 5 . 1 1 33 33 GLU N N 33 115.884 115.884 119.935 -4.051 19431 1793 1 5 . 1 1 33 33 GLU HA H 33 3.442 3.442 4.071 -0.629 19431 1794 1 5 . 1 1 33 33 GLU CA C 33 56.757 56.757 60.033 -3.276 19431 1795 1 5 . 1 1 33 33 GLU CB C 33 26.095 26.095 28.947 -2.852 19431 1796 1 5 . 1 1 34 34 SER N N 34 116.060 116.060 114.530 1.530 19431 1797 1 5 . 1 1 34 34 SER HA H 34 4.026 4.026 4.205 -0.179 19431 1798 1 5 . 1 1 34 34 SER CA C 34 58.953 58.953 61.354 -2.401 19431 1799 1 5 . 1 1 34 34 SER CB C 34 59.683 59.683 63.092 -3.409 19431 1800 1 5 . 1 1 35 35 TRP N N 35 123.977 123.977 122.156 1.821 19431 1801 1 5 . 1 1 35 35 TRP CA C 35 57.894 57.894 59.133 -1.240 19431 1802 1 5 . 1 1 35 35 TRP CB C 35 25.531 25.531 29.242 -3.711 19431 1803 1 5 . 1 1 36 36 LYS N N 36 117.633 117.633 120.809 -3.176 19431 1804 1 5 . 1 1 36 36 LYS HA H 36 3.128 3.128 3.919 -0.791 19431 1805 1 5 . 1 1 36 36 LYS CA C 36 55.998 55.998 60.423 -4.425 19431 1806 1 5 . 1 1 36 36 LYS CB C 36 29.304 29.304 32.212 -2.909 19431 1807 1 5 . 1 1 37 37 SER N N 37 109.835 109.835 112.500 -2.665 19431 1808 1 5 . 1 1 37 37 SER HA H 37 3.989 3.989 4.274 -0.285 19431 1809 1 5 . 1 1 37 37 SER CA C 37 57.765 57.765 60.640 -2.875 19431 1810 1 5 . 1 1 37 37 SER CB C 37 60.606 60.606 62.859 -2.253 19431 1811 1 5 . 1 1 38 38 ARG N N 38 119.946 119.946 118.351 1.595 19431 1812 1 5 . 1 1 38 38 ARG HA H 38 4.144 4.144 4.212 -0.068 19431 1813 1 5 . 1 1 38 38 ARG CA C 38 51.208 51.208 55.751 -4.543 19431 1814 1 5 . 1 1 38 38 ARG CB C 38 25.717 25.717 30.421 -4.704 19431 1815 1 5 . 1 1 39 39 PHE N N 39 117.529 117.529 117.973 -0.444 19431 1816 1 5 . 1 1 39 39 PHE HA H 39 4.855 4.855 5.069 -0.214 19431 1817 1 5 . 1 1 39 39 PHE CA C 39 54.234 54.234 57.212 -2.978 19431 1818 1 5 . 1 1 39 39 PHE CB C 39 37.547 37.547 41.176 -3.629 19431 1819 1 5 . 1 1 40 40 THR N N 40 113.296 113.296 112.901 0.395 19431 1820 1 5 . 1 1 40 40 THR HA H 40 3.991 3.991 4.324 -0.333 19431 1821 1 5 . 1 1 40 40 THR CA C 40 59.704 59.704 61.505 -1.801 19431 1822 1 5 . 1 1 40 40 THR CB C 40 66.175 66.175 70.118 -3.942 19431 1823 1 5 . 1 1 41 41 LYS N N 41 124.924 124.924 122.184 2.740 19431 1824 1 5 . 1 1 41 41 LYS HA H 41 3.713 3.713 3.977 -0.264 19431 1825 1 5 . 1 1 41 41 LYS CA C 41 57.650 57.650 60.328 -2.678 19431 1826 1 5 . 1 1 41 41 LYS CB C 41 29.363 29.363 32.184 -2.821 19431 1827 1 5 . 1 1 42 42 ASP N N 42 116.255 116.255 120.088 -3.833 19431 1828 1 5 . 1 1 42 42 ASP HA H 42 4.343 4.343 4.475 -0.132 19431 1829 1 5 . 1 1 42 42 ASP CA C 42 53.841 53.841 56.775 -2.934 19431 1830 1 5 . 1 1 42 42 ASP CB C 42 37.703 37.703 40.938 -3.235 19431 1831 1 5 . 1 1 43 43 LEU N N 43 119.134 119.134 120.736 -1.602 19431 1832 1 5 . 1 1 43 43 LEU HA H 43 4.320 4.320 3.932 0.388 19431 1833 1 5 . 1 1 43 43 LEU CA C 43 52.423 52.423 57.178 -4.755 19431 1834 1 5 . 1 1 43 43 LEU CB C 43 40.023 40.023 41.949 -1.926 19431 1835 1 5 . 1 1 44 44 GLN N N 44 119.455 119.455 117.380 2.075 19431 1836 1 5 . 1 1 44 44 GLN HA H 44 3.466 3.466 4.041 -0.575 19431 1837 1 5 . 1 1 44 44 GLN CA C 44 57.437 57.437 58.535 -1.098 19431 1838 1 5 . 1 1 44 44 GLN CB C 44 25.394 25.394 28.720 -3.326 19431 1839 1 5 . 1 1 45 45 SER N N 45 110.605 110.605 113.773 -3.168 19431 1840 1 5 . 1 1 45 45 SER HA H 45 4.211 4.211 4.431 -0.220 19431 1841 1 5 . 1 1 45 45 SER CA C 45 57.621 57.621 60.219 -2.598 19431 1842 1 5 . 1 1 45 45 SER CB C 45 60.094 60.094 63.446 -3.352 19431 1843 1 5 . 1 1 46 46 SER N N 46 115.075 115.075 115.444 -0.369 19431 1844 1 5 . 1 1 46 46 SER HA H 46 4.473 4.473 4.402 0.071 19431 1845 1 5 . 1 1 46 46 SER CA C 46 55.739 55.739 58.636 -2.897 19431 1846 1 5 . 1 1 46 46 SER CB C 46 61.628 61.628 63.741 -2.113 19431 1847 1 5 . 1 1 47 47 LEU N N 47 124.984 124.984 123.187 1.797 19431 1848 1 5 . 1 1 47 47 LEU HA H 47 4.334 4.334 4.276 0.058 19431 1849 1 5 . 1 1 47 47 LEU CA C 47 52.040 52.040 55.587 -3.547 19431 1850 1 5 . 1 1 47 47 LEU CB C 47 39.810 39.810 42.607 -2.797 19431 1851 1 5 . 1 1 48 48 THR N N 48 111.152 111.152 110.965 0.187 19431 1852 1 5 . 1 1 48 48 THR HA H 48 4.665 4.665 4.455 0.210 19431 1853 1 5 . 1 1 48 48 THR CA C 48 56.718 56.718 60.289 -3.571 19431 1854 1 5 . 1 1 48 48 THR CB C 48 69.103 69.103 71.733 -2.630 19431 1855 1 5 . 1 1 49 49 GLU N N 49 124.552 124.552 123.583 0.969 19431 1856 1 5 . 1 1 49 49 GLU HA H 49 3.194 3.194 3.370 -0.176 19431 1857 1 5 . 1 1 49 49 GLU CA C 49 56.770 56.770 60.077 -3.307 19431 1858 1 5 . 1 1 49 49 GLU CB C 49 26.148 26.148 29.192 -3.044 19431 1859 1 5 . 1 1 50 50 GLU N N 50 118.615 118.615 118.667 -0.052 19431 1860 1 5 . 1 1 50 50 GLU HA H 50 4.000 4.000 4.018 -0.018 19431 1861 1 5 . 1 1 50 50 GLU CA C 50 57.357 57.357 59.112 -1.755 19431 1862 1 5 . 1 1 50 50 GLU CB C 50 26.511 26.511 29.092 -2.581 19431 1863 1 5 . 1 1 51 51 SER N N 51 116.380 116.380 114.218 2.162 19431 1864 1 5 . 1 1 51 51 SER HA H 51 4.256 4.256 4.225 0.031 19431 1865 1 5 . 1 1 51 51 SER CA C 51 58.825 58.825 61.632 -2.807 19431 1866 1 5 . 1 1 51 51 SER CB C 51 59.884 59.884 62.909 -3.025 19431 1867 1 5 . 1 1 52 52 TYR N N 52 125.611 125.611 118.210 7.401 19431 1868 1 5 . 1 1 52 52 TYR CB C 52 36.647 36.647 37.775 -1.128 19431 1869 1 5 . 1 1 53 53 ASP N N 53 119.653 119.653 119.680 -0.027 19431 1870 1 5 . 1 1 53 53 ASP HA H 53 4.115 4.115 4.376 -0.261 19431 1871 1 5 . 1 1 53 53 ASP CA C 53 54.553 54.553 57.916 -3.364 19431 1872 1 5 . 1 1 53 53 ASP CB C 53 37.477 37.477 41.025 -3.548 19431 1873 1 5 . 1 1 54 54 SER N N 54 114.883 114.883 115.636 -0.753 19431 1874 1 5 . 1 1 54 54 SER HA H 54 3.946 3.946 4.091 -0.145 19431 1875 1 5 . 1 1 54 54 SER CA C 54 59.741 59.741 61.665 -1.924 19431 1876 1 5 . 1 1 54 54 SER CB C 54 59.750 59.750 62.974 -3.224 19431 1877 1 5 . 1 1 55 55 TYR N N 55 123.933 123.933 124.736 -0.803 19431 1878 1 5 . 1 1 55 55 TYR HA H 55 4.361 4.361 4.262 0.099 19431 1879 1 5 . 1 1 55 55 TYR CA C 55 57.213 57.213 61.234 -4.021 19431 1880 1 5 . 1 1 55 55 TYR CB C 55 34.024 34.024 38.349 -4.324 19431 1881 1 5 . 1 1 56 56 LEU N N 56 119.758 119.758 117.643 2.115 19431 1882 1 5 . 1 1 56 56 LEU HA H 56 3.252 3.252 3.680 -0.428 19431 1883 1 5 . 1 1 56 56 LEU CA C 56 54.681 54.681 57.288 -2.607 19431 1884 1 5 . 1 1 56 56 LEU CB C 56 38.151 38.151 41.270 -3.119 19431 1885 1 5 . 1 1 57 57 LYS N N 57 118.487 118.487 119.137 -0.650 19431 1886 1 5 . 1 1 57 57 LYS HA H 57 3.852 3.852 4.011 -0.159 19431 1887 1 5 . 1 1 57 57 LYS CA C 57 56.090 56.090 58.954 -2.864 19431 1888 1 5 . 1 1 57 57 LYS CB C 57 29.683 29.683 31.776 -2.093 19431 1889 1 5 . 1 1 58 58 ILE N N 58 120.887 120.887 118.915 1.972 19431 1890 1 5 . 1 1 58 58 ILE HA H 58 3.591 3.591 3.774 -0.183 19431 1891 1 5 . 1 1 58 58 ILE CA C 58 61.366 61.366 64.032 -2.666 19431 1892 1 5 . 1 1 58 58 ILE CB C 58 35.144 35.144 37.757 -2.612 19431 1893 1 5 . 1 1 59 59 LEU N N 59 122.273 122.273 120.886 1.387 19431 1894 1 5 . 1 1 59 59 LEU HA H 59 3.437 3.437 3.612 -0.175 19431 1895 1 5 . 1 1 59 59 LEU CA C 59 54.847 54.847 58.059 -3.212 19431 1896 1 5 . 1 1 59 59 LEU CB C 59 39.071 39.071 41.437 -2.366 19431 1897 1 5 . 1 1 60 60 GLU N N 60 118.591 118.591 118.022 0.569 19431 1898 1 5 . 1 1 60 60 GLU HA H 60 3.810 3.810 3.955 -0.145 19431 1899 1 5 . 1 1 60 60 GLU CA C 60 56.156 56.156 58.964 -2.808 19431 1900 1 5 . 1 1 60 60 GLU CB C 60 26.820 26.820 29.778 -2.958 19431 1901 1 5 . 1 1 61 61 LYS N N 61 115.698 115.698 114.370 1.328 19431 1902 1 5 . 1 1 61 61 LYS HA H 61 4.029 4.029 4.455 -0.426 19431 1903 1 5 . 1 1 61 61 LYS CA C 61 54.164 54.164 56.146 -1.982 19431 1904 1 5 . 1 1 61 61 LYS CB C 61 29.581 29.581 32.373 -2.792 19431 1905 1 5 . 1 1 62 62 GLN N N 62 114.863 114.863 118.741 -3.878 19431 1906 1 5 . 1 1 62 62 GLN HA H 62 3.851 3.851 4.248 -0.397 19431 1907 1 5 . 1 1 62 62 GLN CA C 62 52.258 52.258 55.297 -3.039 19431 1908 1 5 . 1 1 62 62 GLN CB C 62 25.186 25.186 29.120 -3.934 19431 1909 1 5 . 1 1 63 63 GLY N N 63 101.724 101.724 107.774 -6.050 19431 1910 1 5 . 1 1 63 63 GLY CA C 63 41.815 41.815 45.045 -3.230 19431 1911 1 5 . 1 1 64 64 GLU N N 64 118.731 118.731 120.981 -2.250 19431 1912 1 5 . 1 1 64 64 GLU HA H 64 4.137 4.137 4.805 -0.668 19431 1913 1 5 . 1 1 64 64 GLU CA C 64 54.598 54.598 53.969 0.629 19431 1914 1 5 . 1 1 64 64 GLU CB C 64 28.312 28.312 32.638 -4.326 19431 1915 1 5 . 1 1 65 65 PHE N N 65 123.366 123.366 124.776 -1.410 19431 1916 1 5 . 1 1 65 65 PHE HA H 65 3.825 3.825 3.868 -0.043 19431 1917 1 5 . 1 1 65 65 PHE CA C 65 57.419 57.419 58.737 -1.318 19431 1918 1 5 . 1 1 65 65 PHE CB C 65 36.666 36.666 39.332 -2.666 19431 1919 1 5 . 1 1 66 66 LYS N N 66 125.336 125.336 126.705 -1.369 19431 1920 1 5 . 1 1 66 66 LYS HA H 66 4.168 4.168 4.025 0.143 19431 1921 1 5 . 1 1 66 66 LYS CA C 66 53.226 53.226 56.385 -3.159 19431 1922 1 5 . 1 1 66 66 LYS CB C 66 30.293 30.293 33.934 -3.641 19431 1923 1 5 . 1 1 67 67 GLU N N 67 112.076 112.076 116.736 -4.660 19431 1924 1 5 . 1 1 67 67 GLU HA H 67 4.069 4.069 3.994 0.075 19431 1925 1 5 . 1 1 67 67 GLU CA C 67 52.907 52.907 56.026 -3.119 19431 1926 1 5 . 1 1 67 67 GLU CB C 67 29.378 29.378 31.750 -2.372 19431 1927 1 5 . 1 1 68 68 PHE N N 68 118.706 118.706 120.749 -2.043 19431 1928 1 5 . 1 1 68 68 PHE CB C 68 38.408 38.408 40.030 -1.622 19431 1929 1 5 . 1 1 69 69 GLY N N 69 112.889 112.889 109.109 3.780 19431 1930 1 5 . 1 1 69 69 GLY CA C 69 41.353 41.353 45.240 -3.887 19431 1931 1 5 . 1 1 70 70 LYS N N 70 122.409 122.409 117.998 4.411 19431 1932 1 5 . 1 1 70 70 LYS HA H 70 4.085 4.085 4.511 -0.426 19431 1933 1 5 . 1 1 70 70 LYS CA C 70 54.418 54.418 55.636 -1.218 19431 1934 1 5 . 1 1 70 70 LYS CB C 70 31.197 31.197 34.804 -3.607 19431 1935 1 5 . 1 1 71 71 CYS N N 71 118.509 118.509 119.256 -0.747 19431 1936 1 5 . 1 1 71 71 CYS HA H 71 5.332 5.332 5.124 0.208 19431 1937 1 5 . 1 1 71 71 CYS CA C 71 54.655 54.655 57.005 -2.350 19431 1938 1 5 . 1 1 71 71 CYS CB C 71 28.223 28.223 28.511 -0.288 19431 1939 1 5 . 1 1 72 72 THR N N 72 120.129 120.129 122.594 -2.465 19431 1940 1 5 . 1 1 72 72 THR HA H 72 4.272 4.272 4.371 -0.099 19431 1941 1 5 . 1 1 72 72 THR CA C 72 58.652 58.652 62.136 -3.484 19431 1942 1 5 . 1 1 72 72 THR CB C 72 68.199 68.199 68.566 -0.367 19431 1943 1 5 . 1 1 73 73 TYR N N 73 122.772 122.772 127.173 -4.401 19431 1944 1 5 . 1 1 73 73 TYR HA H 73 5.034 5.034 4.948 0.086 19431 1945 1 5 . 1 1 73 73 TYR CA C 73 55.497 55.497 58.210 -2.713 19431 1946 1 5 . 1 1 73 73 TYR CB C 73 38.271 38.271 39.376 -1.105 19431 1947 1 5 . 1 1 74 74 LEU N N 74 117.980 117.980 119.445 -1.465 19431 1948 1 5 . 1 1 74 74 LEU HA H 74 4.466 4.466 4.816 -0.350 19431 1949 1 5 . 1 1 74 74 LEU CA C 74 51.805 51.805 53.690 -1.885 19431 1950 1 5 . 1 1 74 74 LEU CB C 74 42.030 42.030 46.333 -4.303 19431 1951 1 5 . 1 1 75 75 GLY N N 75 105.257 105.257 106.821 -1.564 19431 1952 1 5 . 1 1 75 75 GLY CA C 75 42.799 42.799 44.410 -1.611 19431 1953 1 5 . 1 1 76 76 GLN N N 76 119.071 119.071 118.377 0.694 19431 1954 1 5 . 1 1 76 76 GLN HA H 76 4.938 4.938 4.944 -0.006 19431 1955 1 5 . 1 1 76 76 GLN CA C 76 52.495 52.495 54.797 -2.301 19431 1956 1 5 . 1 1 76 76 GLN CB C 76 30.498 30.498 34.000 -3.502 19431 1957 1 5 . 1 1 77 77 ILE N N 77 123.550 123.550 122.331 1.219 19431 1958 1 5 . 1 1 77 77 ILE HA H 77 4.992 4.992 5.235 -0.243 19431 1959 1 5 . 1 1 77 77 ILE CA C 77 57.239 57.239 60.485 -3.246 19431 1960 1 5 . 1 1 77 77 ILE CB C 77 36.664 36.664 39.724 -3.060 19431 1961 1 5 . 1 1 78 78 LYS N N 78 127.532 127.532 127.169 0.363 19431 1962 1 5 . 1 1 78 78 LYS HA H 78 4.585 4.585 4.025 0.560 19431 1963 1 5 . 1 1 78 78 LYS CA C 78 52.768 52.768 60.113 -7.345 19431 1964 1 5 . 1 1 78 78 LYS CB C 78 32.536 32.536 32.958 -0.422 19431 1965 1 5 . 1 1 79 79 ASP N N 79 128.019 128.019 114.218 13.801 19431 1966 1 5 . 1 1 79 79 ASP HA H 79 4.168 4.168 4.685 -0.517 19431 1967 1 5 . 1 1 79 79 ASP CA C 79 53.258 53.258 55.867 -2.610 19431 1968 1 5 . 1 1 79 79 ASP CB C 79 36.826 36.826 41.859 -5.033 19431 1969 1 5 . 1 1 80 80 ASN N N 80 110.608 110.608 115.713 -5.105 19431 1970 1 5 . 1 1 80 80 ASN HA H 80 4.168 4.168 4.735 -0.567 19431 1971 1 5 . 1 1 80 80 ASN CA C 80 51.912 51.912 53.194 -1.282 19431 1972 1 5 . 1 1 80 80 ASN CB C 80 35.506 35.506 39.106 -3.600 19431 1973 1 5 . 1 1 81 81 LYS N N 81 121.116 121.116 121.642 -0.526 19431 1974 1 5 . 1 1 81 81 LYS HA H 81 4.482 4.482 4.425 0.057 19431 1975 1 5 . 1 1 81 81 LYS CA C 81 52.353 52.353 55.949 -3.595 19431 1976 1 5 . 1 1 81 81 LYS CB C 81 32.119 32.119 34.004 -1.885 19431 1977 1 5 . 1 1 82 82 LYS N N 82 119.259 119.259 120.872 -1.613 19431 1978 1 5 . 1 1 82 82 LYS HA H 82 4.765 4.765 5.535 -0.770 19431 1979 1 5 . 1 1 82 82 LYS CA C 82 52.722 52.722 54.081 -1.359 19431 1980 1 5 . 1 1 82 82 LYS CB C 82 32.934 32.934 34.686 -1.752 19431 1981 1 5 . 1 1 83 83 TYR N N 83 118.176 118.176 119.201 -1.025 19431 1982 1 5 . 1 1 83 83 TYR HA H 83 5.275 5.275 4.919 0.356 19431 1983 1 5 . 1 1 83 83 TYR CA C 83 53.383 53.383 56.834 -3.450 19431 1984 1 5 . 1 1 83 83 TYR CB C 83 38.026 38.026 43.012 -4.986 19431 1985 1 5 . 1 1 84 84 GLY N N 84 111.686 111.686 108.451 3.235 19431 1986 1 5 . 1 1 84 84 GLY CA C 84 41.219 41.219 43.008 -1.789 19431 1987 1 5 . 1 1 85 85 GLY N N 85 111.232 111.232 110.505 0.727 19431 1988 1 5 . 1 1 85 85 GLY CA C 85 42.272 42.272 42.835 -0.563 19431 1989 1 5 . 1 1 86 86 VAL N N 86 115.256 115.256 121.243 -5.987 19431 1990 1 5 . 1 1 86 86 VAL HA H 86 5.127 5.127 4.684 0.443 19431 1991 1 5 . 1 1 86 86 VAL CA C 86 55.741 55.741 60.594 -4.853 19431 1992 1 5 . 1 1 86 86 VAL CB C 86 33.129 33.129 34.572 -1.444 19431 1993 1 5 . 1 1 87 87 ILE N N 87 125.124 125.124 130.509 -5.385 19431 1994 1 5 . 1 1 87 87 ILE HA H 87 5.206 5.206 4.505 0.701 19431 1995 1 5 . 1 1 87 87 ILE CA C 87 57.168 57.168 60.877 -3.709 19431 1996 1 5 . 1 1 87 87 ILE CB C 87 36.590 36.590 37.521 -0.931 19431 1997 1 5 . 1 1 88 88 ILE N N 88 128.056 128.056 129.271 -1.215 19431 1998 1 5 . 1 1 88 88 ILE HA H 88 5.146 5.146 5.000 0.146 19431 1999 1 5 . 1 1 88 88 ILE CA C 88 55.356 55.356 59.218 -3.862 19431 2000 1 5 . 1 1 88 88 ILE CB C 88 39.847 39.847 40.518 -0.671 19431 2001 1 5 . 1 1 89 89 VAL N N 89 128.326 128.326 129.595 -1.269 19431 2002 1 5 . 1 1 89 89 VAL HA H 89 4.387 4.387 5.029 -0.642 19431 2003 1 5 . 1 1 89 89 VAL CA C 89 59.839 59.839 60.956 -1.117 19431 2004 1 5 . 1 1 89 89 VAL CB C 89 30.295 30.295 33.240 -2.945 19431 2005 1 5 . 1 1 90 90 VAL N N 90 128.738 128.738 128.169 0.569 19431 2006 1 5 . 1 1 90 90 VAL HA H 90 4.207 4.207 4.721 -0.514 19431 2007 1 5 . 1 1 90 90 VAL CA C 90 59.722 59.722 60.375 -0.653 19431 2008 1 5 . 1 1 90 90 VAL CB C 90 31.537 31.537 35.457 -3.920 19431 2009 1 5 . 1 1 91 91 LYS N N 91 126.004 126.004 130.054 -4.050 19431 2010 1 5 . 1 1 91 91 LYS HA H 91 4.629 4.629 4.551 0.078 19431 2011 1 5 . 1 1 91 91 LYS CA C 91 52.972 52.972 55.996 -3.024 19431 2012 1 5 . 1 1 91 91 LYS CB C 91 30.789 30.789 31.888 -1.099 19431 2013 1 5 . 1 1 92 92 TYR N N 92 123.932 123.932 124.781 -0.849 19431 2014 1 5 . 1 1 92 92 TYR HA H 92 4.940 4.940 4.747 0.193 19431 2015 1 5 . 1 1 92 92 TYR CA C 92 53.905 53.905 57.549 -3.644 19431 2016 1 5 . 1 1 92 92 TYR CB C 92 39.331 39.331 40.173 -0.842 19431 2017 1 5 . 1 1 93 93 GLU N N 93 122.195 122.195 120.099 2.096 19431 2018 1 5 . 1 1 93 93 GLU HA H 93 3.834 3.834 4.108 -0.274 19431 2019 1 5 . 1 1 93 93 GLU CA C 93 57.465 57.465 59.139 -1.674 19431 2020 1 5 . 1 1 93 93 GLU CB C 93 28.695 28.695 29.932 -1.237 19431 2021 1 5 . 1 1 94 94 GLU N N 94 110.219 110.219 114.868 -4.649 19431 2022 1 5 . 1 1 94 94 GLU HA H 94 4.440 4.440 4.530 -0.090 19431 2023 1 5 . 1 1 94 94 GLU CA C 94 52.555 52.555 56.055 -3.500 19431 2024 1 5 . 1 1 94 94 GLU CB C 94 26.861 26.861 32.117 -5.256 19431 2025 1 5 . 1 1 95 95 GLY N N 95 106.566 106.566 108.643 -2.077 19431 2026 1 5 . 1 1 95 95 GLY CA C 95 42.542 42.542 44.704 -2.162 19431 2027 1 5 . 1 1 96 96 ASN N N 96 116.707 116.707 120.679 -3.972 19431 2028 1 5 . 1 1 96 96 ASN HA H 96 5.720 5.720 6.013 -0.293 19431 2029 1 5 . 1 1 96 96 ASN CA C 96 49.003 49.003 52.487 -3.484 19431 2030 1 5 . 1 1 96 96 ASN CB C 96 37.602 37.602 41.087 -3.485 19431 2031 1 5 . 1 1 97 97 VAL N N 97 122.002 122.002 123.910 -1.908 19431 2032 1 5 . 1 1 97 97 VAL HA H 97 4.117 4.117 4.265 -0.148 19431 2033 1 5 . 1 1 97 97 VAL CA C 97 58.404 58.404 61.108 -2.704 19431 2034 1 5 . 1 1 97 97 VAL CB C 97 33.456 33.456 33.894 -0.438 19431 2035 1 5 . 1 1 98 98 ASN N N 98 124.376 124.376 126.347 -1.971 19431 2036 1 5 . 1 1 98 98 ASN HA H 98 5.135 5.135 5.110 0.025 19431 2037 1 5 . 1 1 98 98 ASN CA C 98 48.630 48.630 52.465 -3.835 19431 2038 1 5 . 1 1 98 98 ASN CB C 98 36.031 36.031 38.447 -2.416 19431 2039 1 5 . 1 1 99 99 TYR N N 99 123.932 123.932 125.424 -1.492 19431 2040 1 5 . 1 1 99 99 TYR HA H 99 4.640 4.640 4.760 -0.120 19431 2041 1 5 . 1 1 99 99 TYR CA C 99 55.468 55.468 58.082 -2.614 19431 2042 1 5 . 1 1 99 99 TYR CB C 99 38.122 38.122 38.428 -0.306 19431 2043 1 5 . 1 1 100 100 SER N N 100 115.327 115.327 119.466 -4.139 19431 2044 1 5 . 1 1 100 100 SER HA H 100 5.242 5.242 4.613 0.629 19431 2045 1 5 . 1 1 100 100 SER CA C 100 53.767 53.767 58.135 -4.368 19431 2046 1 5 . 1 1 100 100 SER CB C 100 60.649 60.649 62.273 -1.624 19431 2047 1 5 . 1 1 101 101 LEU N N 101 130.521 130.521 128.991 1.530 19431 2048 1 5 . 1 1 101 101 LEU HA H 101 4.978 4.978 5.186 -0.208 19431 2049 1 5 . 1 1 101 101 LEU CA C 101 51.756 51.756 53.897 -2.141 19431 2050 1 5 . 1 1 101 101 LEU CB C 101 42.765 42.765 43.583 -0.818 19431 2051 1 5 . 1 1 102 102 ALA N N 102 121.373 121.373 125.491 -4.118 19431 2052 1 5 . 1 1 102 102 ALA HA H 102 4.994 4.994 5.096 -0.102 19431 2053 1 5 . 1 1 102 102 ALA CA C 102 48.505 48.505 50.658 -2.153 19431 2054 1 5 . 1 1 102 102 ALA CB C 102 19.355 19.355 22.781 -3.426 19431 2055 1 5 . 1 1 103 103 TYR N N 103 120.633 120.633 119.204 1.429 19431 2056 1 5 . 1 1 103 103 TYR HA H 103 5.311 5.311 5.567 -0.256 19431 2057 1 5 . 1 1 103 103 TYR CA C 103 55.519 55.519 54.209 1.310 19431 2058 1 5 . 1 1 103 103 TYR CB C 103 42.037 42.037 40.727 1.310 19431 2059 1 5 . 1 1 104 104 ASP N N 104 118.129 118.129 118.485 -0.356 19431 2060 1 5 . 1 1 104 104 ASP HA H 104 5.163 5.163 4.548 0.615 19431 2061 1 5 . 1 1 104 104 ASP CA C 104 49.372 49.372 51.942 -2.570 19431 2062 1 5 . 1 1 104 104 ASP CB C 104 39.054 39.054 41.511 -2.457 19431 2063 1 5 . 1 1 105 105 GLU N N 105 115.031 115.031 118.873 -3.842 19431 2064 1 5 . 1 1 105 105 GLU HA H 105 3.624 3.624 4.126 -0.502 19431 2065 1 5 . 1 1 105 105 GLU CA C 105 55.976 55.976 59.760 -3.784 19431 2066 1 5 . 1 1 105 105 GLU CB C 105 27.111 27.111 29.493 -2.382 19431 2067 1 5 . 1 1 106 106 ASP N N 106 119.038 119.038 117.099 1.939 19431 2068 1 5 . 1 1 107 107 MET N N 107 111.995 111.995 116.208 -4.213 19431 2069 1 5 . 1 1 107 107 MET HA H 107 4.343 4.343 3.789 0.554 19431 2070 1 5 . 1 1 107 107 MET CA C 107 51.671 51.671 56.219 -4.548 19431 2071 1 5 . 1 1 107 107 MET CB C 107 21.629 21.629 30.675 -9.046 19431 2072 1 5 . 1 1 108 108 ASN N N 108 117.079 117.079 117.439 -0.360 19431 2073 1 5 . 1 1 108 108 ASN HA H 108 5.111 5.111 5.098 0.013 19431 2074 1 5 . 1 1 108 108 ASN CA C 108 49.519 49.519 52.102 -2.583 19431 2075 1 5 . 1 1 108 108 ASN CB C 108 37.221 37.221 40.449 -3.228 19431 2076 1 5 . 1 1 109 109 LEU N N 109 122.211 122.211 124.280 -2.069 19431 2077 1 5 . 1 1 109 109 LEU HA H 109 4.020 4.020 4.192 -0.172 19431 2078 1 5 . 1 1 109 109 LEU CA C 109 52.898 52.898 56.744 -3.846 19431 2079 1 5 . 1 1 109 109 LEU CB C 109 40.774 40.774 41.947 -1.173 19431 2080 1 5 . 1 1 110 110 VAL N N 110 109.806 109.806 124.159 -14.353 19431 2081 1 5 . 1 1 110 110 VAL HA H 110 4.551 4.551 4.454 0.098 19431 2082 1 5 . 1 1 110 110 VAL CA C 110 57.276 57.276 62.357 -5.081 19431 2083 1 5 . 1 1 110 110 VAL CB C 110 30.242 30.242 33.876 -3.634 19431 2084 1 5 . 1 1 111 111 SER N N 111 113.487 113.487 115.588 -2.101 19431 2085 1 5 . 1 1 111 111 SER HA H 111 4.476 4.476 4.830 -0.354 19431 2086 1 5 . 1 1 111 111 SER CA C 111 55.637 55.637 58.296 -2.659 19431 2087 1 5 . 1 1 111 111 SER CB C 111 61.288 61.288 65.876 -4.588 19431 2088 1 5 . 1 1 112 112 PHE N N 112 126.988 126.988 126.078 0.910 19431 2089 1 5 . 1 1 112 112 PHE HA H 112 4.991 4.991 5.680 -0.689 19431 2090 1 5 . 1 1 112 112 PHE CA C 112 55.305 55.305 56.770 -1.465 19431 2091 1 5 . 1 1 112 112 PHE CB C 112 40.128 40.128 42.772 -2.644 19431 2092 1 5 . 1 1 113 113 THR N N 113 120.333 120.333 121.200 -0.867 19431 2093 1 5 . 1 1 113 113 THR HA H 113 4.775 4.775 4.395 0.380 19431 2094 1 5 . 1 1 113 113 THR CA C 113 57.888 57.888 60.444 -2.556 19431 2095 1 5 . 1 1 113 113 THR CB C 113 69.193 69.193 71.587 -2.394 19431 2096 1 6 . 1 1 2 2 GLU HA H 2 4.446 4.446 4.453 -0.007 19431 2097 1 6 . 1 1 2 2 GLU CA C 2 53.359 53.359 55.698 -2.339 19431 2098 1 6 . 1 1 2 2 GLU CB C 2 29.108 29.108 30.644 -1.536 19431 2099 1 6 . 1 1 3 3 ILE N N 3 123.144 123.144 121.691 1.453 19431 2100 1 6 . 1 1 3 3 ILE HA H 3 4.358 4.358 4.323 0.035 19431 2101 1 6 . 1 1 3 3 ILE CA C 3 57.727 57.727 59.242 -1.515 19431 2102 1 6 . 1 1 3 3 ILE CB C 3 35.665 35.665 39.123 -3.458 19431 2103 1 6 . 1 1 4 4 LEU N N 4 127.461 127.461 125.510 1.951 19431 2104 1 6 . 1 1 4 4 LEU HA H 4 4.554 4.554 4.538 0.016 19431 2105 1 6 . 1 1 4 4 LEU CA C 4 51.011 51.011 54.206 -3.195 19431 2106 1 6 . 1 1 4 4 LEU CB C 4 41.209 41.209 42.078 -0.869 19431 2107 1 6 . 1 1 5 5 LYS N N 5 121.611 121.611 121.023 0.588 19431 2108 1 6 . 1 1 5 5 LYS HA H 5 4.436 4.436 4.213 0.223 19431 2109 1 6 . 1 1 5 5 LYS CA C 5 53.150 53.150 57.173 -4.023 19431 2110 1 6 . 1 1 5 5 LYS CB C 5 29.359 29.359 32.520 -3.161 19431 2111 1 6 . 1 1 6 6 GLU N N 6 115.825 115.825 114.027 1.798 19431 2112 1 6 . 1 1 6 6 GLU HA H 6 4.269 4.269 4.591 -0.322 19431 2113 1 6 . 1 1 6 6 GLU CA C 6 51.331 51.331 54.703 -3.372 19431 2114 1 6 . 1 1 6 6 GLU CB C 6 29.583 29.583 31.124 -1.541 19431 2115 1 6 . 1 1 7 7 LEU N N 7 118.967 118.967 122.568 -3.601 19431 2116 1 6 . 1 1 7 7 LEU HA H 7 4.311 4.311 4.652 -0.341 19431 2117 1 6 . 1 1 7 7 LEU CA C 7 50.182 50.182 53.498 -3.316 19431 2118 1 6 . 1 1 7 7 LEU CB C 7 39.422 39.422 41.328 -1.907 19431 2119 1 6 . 1 1 8 8 PRO HA H 8 4.432 4.432 4.465 -0.033 19431 2120 1 6 . 1 1 8 8 PRO CA C 8 59.119 59.119 62.608 -3.489 19431 2121 1 6 . 1 1 8 8 PRO CB C 8 29.306 29.306 32.430 -3.124 19431 2122 1 6 . 1 1 9 9 GLU N N 9 121.059 121.059 120.196 0.863 19431 2123 1 6 . 1 1 9 9 GLU HA H 9 4.033 4.033 4.158 -0.125 19431 2124 1 6 . 1 1 9 9 GLU CA C 9 55.281 55.281 56.864 -1.583 19431 2125 1 6 . 1 1 9 9 GLU CB C 9 26.864 26.864 29.534 -2.670 19431 2126 1 6 . 1 1 10 10 GLY N N 10 112.279 112.279 112.144 0.135 19431 2127 1 6 . 1 1 10 10 GLY CA C 10 42.029 42.029 44.542 -2.513 19431 2128 1 6 . 1 1 11 11 PHE N N 11 117.612 117.612 118.107 -0.495 19431 2129 1 6 . 1 1 11 11 PHE HA H 11 4.660 4.660 4.834 -0.174 19431 2130 1 6 . 1 1 11 11 PHE CA C 11 54.280 54.280 56.266 -1.986 19431 2131 1 6 . 1 1 11 11 PHE CB C 11 39.721 39.721 40.670 -0.949 19431 2132 1 6 . 1 1 12 12 ASP N N 12 121.568 121.568 121.243 0.325 19431 2133 1 6 . 1 1 12 12 ASP HA H 12 4.875 4.875 4.808 0.067 19431 2134 1 6 . 1 1 12 12 ASP CA C 12 49.676 49.676 52.812 -3.135 19431 2135 1 6 . 1 1 12 12 ASP CB C 12 42.307 42.307 43.310 -1.003 19431 2136 1 6 . 1 1 13 13 LYS N N 13 125.770 125.770 124.939 0.831 19431 2137 1 6 . 1 1 13 13 LYS HA H 13 3.294 3.294 3.206 0.088 19431 2138 1 6 . 1 1 13 13 LYS CA C 13 58.046 58.046 59.688 -1.643 19431 2139 1 6 . 1 1 13 13 LYS CB C 13 30.216 30.216 32.234 -2.018 19431 2140 1 6 . 1 1 14 14 GLU N N 14 118.590 118.590 118.286 0.304 19431 2141 1 6 . 1 1 14 14 GLU HA H 14 4.090 4.090 4.234 -0.144 19431 2142 1 6 . 1 1 14 14 GLU CA C 14 56.364 56.364 59.110 -2.746 19431 2143 1 6 . 1 1 14 14 GLU CB C 14 26.479 26.479 29.894 -3.415 19431 2144 1 6 . 1 1 15 15 THR N N 15 118.372 118.372 118.359 0.013 19431 2145 1 6 . 1 1 15 15 THR HA H 15 3.737 3.737 4.039 -0.302 19431 2146 1 6 . 1 1 15 15 THR CA C 15 63.974 63.974 67.069 -3.095 19431 2147 1 6 . 1 1 15 15 THR CB C 15 65.565 65.565 68.907 -3.342 19431 2148 1 6 . 1 1 16 16 VAL N N 16 121.083 121.083 121.847 -0.764 19431 2149 1 6 . 1 1 16 16 VAL HA H 16 3.329 3.329 4.135 -0.806 19431 2150 1 6 . 1 1 16 16 VAL CA C 16 64.214 64.214 65.896 -1.682 19431 2151 1 6 . 1 1 16 16 VAL CB C 16 29.011 29.011 31.759 -2.748 19431 2152 1 6 . 1 1 17 17 ARG N N 17 119.409 119.409 120.592 -1.183 19431 2153 1 6 . 1 1 17 17 ARG HA H 17 3.737 3.737 4.133 -0.396 19431 2154 1 6 . 1 1 17 17 ARG CA C 17 58.049 58.049 59.446 -1.397 19431 2155 1 6 . 1 1 17 17 ARG CB C 17 27.401 27.401 30.063 -2.662 19431 2156 1 6 . 1 1 18 18 LYS N N 18 116.168 116.168 117.892 -1.724 19431 2157 1 6 . 1 1 18 18 LYS HA H 18 3.800 3.800 4.164 -0.364 19431 2158 1 6 . 1 1 18 18 LYS CA C 18 57.031 57.031 58.331 -1.300 19431 2159 1 6 . 1 1 18 18 LYS CB C 18 29.801 29.801 32.508 -2.707 19431 2160 1 6 . 1 1 19 19 GLN N N 19 120.008 120.008 118.960 1.048 19431 2161 1 6 . 1 1 19 19 GLN HA H 19 3.767 3.767 4.279 -0.512 19431 2162 1 6 . 1 1 19 19 GLN CA C 19 54.492 54.492 55.234 -0.742 19431 2163 1 6 . 1 1 19 19 GLN CB C 19 26.490 26.490 26.574 -0.084 19431 2164 1 6 . 1 1 20 20 ALA N N 20 122.405 122.405 123.163 -0.758 19431 2165 1 6 . 1 1 20 20 ALA HA H 20 4.404 4.404 4.430 -0.026 19431 2166 1 6 . 1 1 20 20 ALA CA C 20 52.036 52.036 53.586 -1.550 19431 2167 1 6 . 1 1 20 20 ALA CB C 20 16.407 16.407 19.316 -2.909 19431 2168 1 6 . 1 1 21 21 MET N N 21 115.042 115.042 119.864 -4.822 19431 2169 1 6 . 1 1 21 21 MET HA H 21 3.354 3.354 3.322 0.032 19431 2170 1 6 . 1 1 21 21 MET CA C 21 56.861 56.861 60.217 -3.356 19431 2171 1 6 . 1 1 21 21 MET CB C 21 30.538 30.538 32.362 -1.825 19431 2172 1 6 . 1 1 22 22 GLU N N 22 118.882 118.882 119.142 -0.260 19431 2173 1 6 . 1 1 22 22 GLU HA H 22 3.923 3.923 4.216 -0.293 19431 2174 1 6 . 1 1 22 22 GLU CA C 22 56.675 56.675 59.354 -2.679 19431 2175 1 6 . 1 1 22 22 GLU CB C 22 26.613 26.613 29.391 -2.778 19431 2176 1 6 . 1 1 23 23 ASP N N 23 122.549 122.549 119.663 2.886 19431 2177 1 6 . 1 1 23 23 ASP HA H 23 4.658 4.658 4.488 0.170 19431 2178 1 6 . 1 1 23 23 ASP CA C 23 55.053 55.053 57.243 -2.190 19431 2179 1 6 . 1 1 23 23 ASP CB C 23 37.479 37.479 40.440 -2.961 19431 2180 1 6 . 1 1 24 24 ILE N N 24 123.580 123.580 119.860 3.720 19431 2181 1 6 . 1 1 24 24 ILE HA H 24 3.678 3.678 3.694 -0.016 19431 2182 1 6 . 1 1 24 24 ILE CA C 24 63.201 63.201 65.877 -2.676 19431 2183 1 6 . 1 1 24 24 ILE CB C 24 35.138 35.138 37.684 -2.546 19431 2184 1 6 . 1 1 25 25 GLU N N 25 120.591 120.591 119.621 0.970 19431 2185 1 6 . 1 1 25 25 GLU HA H 25 3.885 3.885 4.027 -0.142 19431 2186 1 6 . 1 1 25 25 GLU CA C 25 57.824 57.824 59.560 -1.736 19431 2187 1 6 . 1 1 25 25 GLU CB C 25 25.883 25.883 29.429 -3.546 19431 2188 1 6 . 1 1 26 26 ILE N N 26 121.350 121.350 119.125 2.225 19431 2189 1 6 . 1 1 26 26 ILE HA H 26 3.718 3.718 3.790 -0.072 19431 2190 1 6 . 1 1 26 26 ILE CA C 26 62.881 62.881 63.057 -0.176 19431 2191 1 6 . 1 1 26 26 ILE CB C 26 35.324 35.324 36.444 -1.120 19431 2192 1 6 . 1 1 27 27 ALA N N 27 120.204 120.204 121.895 -1.691 19431 2193 1 6 . 1 1 28 28 GLN N N 28 114.627 114.627 117.887 -3.260 19431 2194 1 6 . 1 1 28 28 GLN CB C 28 26.380 26.380 28.947 -2.567 19431 2195 1 6 . 1 1 29 29 SER N N 29 115.031 115.031 113.018 2.013 19431 2196 1 6 . 1 1 29 29 SER HA H 29 4.260 4.260 4.512 -0.252 19431 2197 1 6 . 1 1 29 29 SER CA C 29 57.768 57.768 58.405 -0.637 19431 2198 1 6 . 1 1 29 29 SER CB C 29 61.367 61.367 63.483 -2.116 19431 2199 1 6 . 1 1 30 30 LYS N N 30 112.834 112.834 119.189 -6.355 19431 2200 1 6 . 1 1 30 30 LYS HA H 30 4.228 4.228 3.805 0.423 19431 2201 1 6 . 1 1 30 30 LYS CA C 30 56.103 56.103 57.104 -1.001 19431 2202 1 6 . 1 1 30 30 LYS CB C 30 26.478 26.478 29.769 -3.291 19431 2203 1 6 . 1 1 31 31 ASP N N 31 121.067 121.067 118.921 2.146 19431 2204 1 6 . 1 1 31 31 ASP HA H 31 4.877 4.877 4.239 0.638 19431 2205 1 6 . 1 1 31 31 ASP CA C 31 49.742 49.742 52.881 -3.139 19431 2206 1 6 . 1 1 31 31 ASP CB C 31 38.652 38.652 42.659 -4.007 19431 2207 1 6 . 1 1 32 32 TYR N N 32 126.671 126.671 121.839 4.832 19431 2208 1 6 . 1 1 32 32 TYR HA H 32 3.311 3.311 4.511 -1.200 19431 2209 1 6 . 1 1 32 32 TYR CA C 32 57.951 57.951 57.961 -0.009 19431 2210 1 6 . 1 1 32 32 TYR CB C 32 36.158 36.158 39.578 -3.420 19431 2211 1 6 . 1 1 33 33 GLU N N 33 115.884 115.884 117.927 -2.043 19431 2212 1 6 . 1 1 33 33 GLU HA H 33 3.442 3.442 4.512 -1.070 19431 2213 1 6 . 1 1 33 33 GLU CA C 33 56.757 56.757 57.185 -0.428 19431 2214 1 6 . 1 1 33 33 GLU CB C 33 26.095 26.095 31.278 -5.183 19431 2215 1 6 . 1 1 34 34 SER N N 34 116.060 116.060 115.471 0.589 19431 2216 1 6 . 1 1 34 34 SER HA H 34 4.026 4.026 4.305 -0.279 19431 2217 1 6 . 1 1 34 34 SER CA C 34 58.953 58.953 60.873 -1.920 19431 2218 1 6 . 1 1 34 34 SER CB C 34 59.683 59.683 63.349 -3.666 19431 2219 1 6 . 1 1 35 35 TRP N N 35 123.977 123.977 121.891 2.086 19431 2220 1 6 . 1 1 35 35 TRP CA C 35 57.894 57.894 61.016 -3.122 19431 2221 1 6 . 1 1 35 35 TRP CB C 35 25.531 25.531 29.579 -4.048 19431 2222 1 6 . 1 1 36 36 LYS N N 36 117.633 117.633 118.965 -1.332 19431 2223 1 6 . 1 1 36 36 LYS HA H 36 3.128 3.128 3.619 -0.491 19431 2224 1 6 . 1 1 36 36 LYS CA C 36 55.998 55.998 59.381 -3.383 19431 2225 1 6 . 1 1 36 36 LYS CB C 36 29.304 29.304 31.841 -2.537 19431 2226 1 6 . 1 1 37 37 SER N N 37 109.835 109.835 113.614 -3.779 19431 2227 1 6 . 1 1 37 37 SER HA H 37 3.989 3.989 4.297 -0.308 19431 2228 1 6 . 1 1 37 37 SER CA C 37 57.765 57.765 60.293 -2.528 19431 2229 1 6 . 1 1 37 37 SER CB C 37 60.606 60.606 62.694 -2.088 19431 2230 1 6 . 1 1 38 38 ARG N N 38 119.946 119.946 118.267 1.679 19431 2231 1 6 . 1 1 38 38 ARG HA H 38 4.144 4.144 4.371 -0.227 19431 2232 1 6 . 1 1 38 38 ARG CA C 38 51.208 51.208 54.968 -3.760 19431 2233 1 6 . 1 1 38 38 ARG CB C 38 25.717 25.717 30.554 -4.837 19431 2234 1 6 . 1 1 39 39 PHE N N 39 117.529 117.529 118.506 -0.977 19431 2235 1 6 . 1 1 39 39 PHE HA H 39 4.855 4.855 4.705 0.150 19431 2236 1 6 . 1 1 39 39 PHE CA C 39 54.234 54.234 57.541 -3.307 19431 2237 1 6 . 1 1 39 39 PHE CB C 39 37.547 37.547 40.291 -2.744 19431 2238 1 6 . 1 1 40 40 THR N N 40 113.296 113.296 113.316 -0.020 19431 2239 1 6 . 1 1 40 40 THR HA H 40 3.991 3.991 4.330 -0.339 19431 2240 1 6 . 1 1 40 40 THR CA C 40 59.704 59.704 61.611 -1.907 19431 2241 1 6 . 1 1 40 40 THR CB C 40 66.175 66.175 70.531 -4.356 19431 2242 1 6 . 1 1 41 41 LYS N N 41 124.924 124.924 124.145 0.779 19431 2243 1 6 . 1 1 41 41 LYS HA H 41 3.713 3.713 4.129 -0.416 19431 2244 1 6 . 1 1 41 41 LYS CA C 41 57.650 57.650 60.145 -2.495 19431 2245 1 6 . 1 1 41 41 LYS CB C 41 29.363 29.363 31.858 -2.495 19431 2246 1 6 . 1 1 42 42 ASP N N 42 116.255 116.255 119.063 -2.808 19431 2247 1 6 . 1 1 42 42 ASP HA H 42 4.343 4.343 4.453 -0.110 19431 2248 1 6 . 1 1 42 42 ASP CA C 42 53.841 53.841 57.394 -3.553 19431 2249 1 6 . 1 1 42 42 ASP CB C 42 37.703 37.703 40.859 -3.156 19431 2250 1 6 . 1 1 43 43 LEU N N 43 119.134 119.134 120.154 -1.020 19431 2251 1 6 . 1 1 43 43 LEU HA H 43 4.320 4.320 4.020 0.300 19431 2252 1 6 . 1 1 43 43 LEU CA C 43 52.423 52.423 57.992 -5.569 19431 2253 1 6 . 1 1 43 43 LEU CB C 43 40.023 40.023 41.888 -1.865 19431 2254 1 6 . 1 1 44 44 GLN N N 44 119.455 119.455 118.774 0.681 19431 2255 1 6 . 1 1 44 44 GLN HA H 44 3.466 3.466 3.783 -0.317 19431 2256 1 6 . 1 1 44 44 GLN CA C 44 57.437 57.437 59.117 -1.680 19431 2257 1 6 . 1 1 44 44 GLN CB C 44 25.394 25.394 28.482 -3.088 19431 2258 1 6 . 1 1 45 45 SER N N 45 110.605 110.605 114.479 -3.874 19431 2259 1 6 . 1 1 45 45 SER HA H 45 4.211 4.211 4.432 -0.221 19431 2260 1 6 . 1 1 45 45 SER CA C 45 57.621 57.621 59.336 -1.715 19431 2261 1 6 . 1 1 45 45 SER CB C 45 60.094 60.094 63.102 -3.008 19431 2262 1 6 . 1 1 46 46 SER N N 46 115.075 115.075 115.724 -0.649 19431 2263 1 6 . 1 1 46 46 SER HA H 46 4.473 4.473 4.581 -0.108 19431 2264 1 6 . 1 1 46 46 SER CA C 46 55.739 55.739 58.036 -2.297 19431 2265 1 6 . 1 1 46 46 SER CB C 46 61.628 61.628 63.916 -2.288 19431 2266 1 6 . 1 1 47 47 LEU N N 47 124.984 124.984 124.119 0.865 19431 2267 1 6 . 1 1 47 47 LEU HA H 47 4.334 4.334 4.230 0.104 19431 2268 1 6 . 1 1 47 47 LEU CA C 47 52.040 52.040 55.358 -3.318 19431 2269 1 6 . 1 1 47 47 LEU CB C 47 39.810 39.810 42.479 -2.669 19431 2270 1 6 . 1 1 48 48 THR N N 48 111.152 111.152 114.498 -3.346 19431 2271 1 6 . 1 1 48 48 THR HA H 48 4.665 4.665 4.474 0.191 19431 2272 1 6 . 1 1 48 48 THR CA C 48 56.718 56.718 61.360 -4.642 19431 2273 1 6 . 1 1 48 48 THR CB C 48 69.103 69.103 69.255 -0.153 19431 2274 1 6 . 1 1 49 49 GLU N N 49 124.552 124.552 126.897 -2.345 19431 2275 1 6 . 1 1 49 49 GLU HA H 49 3.194 3.194 4.219 -1.025 19431 2276 1 6 . 1 1 49 49 GLU CA C 49 56.770 56.770 59.429 -2.659 19431 2277 1 6 . 1 1 49 49 GLU CB C 49 26.148 26.148 29.537 -3.389 19431 2278 1 6 . 1 1 50 50 GLU N N 50 118.615 118.615 119.271 -0.656 19431 2279 1 6 . 1 1 50 50 GLU HA H 50 4.000 4.000 4.073 -0.073 19431 2280 1 6 . 1 1 50 50 GLU CA C 50 57.357 57.357 58.201 -0.844 19431 2281 1 6 . 1 1 50 50 GLU CB C 50 26.511 26.511 29.384 -2.873 19431 2282 1 6 . 1 1 51 51 SER N N 51 116.380 116.380 114.386 1.994 19431 2283 1 6 . 1 1 51 51 SER HA H 51 4.256 4.256 4.431 -0.175 19431 2284 1 6 . 1 1 51 51 SER CA C 51 58.825 58.825 59.993 -1.168 19431 2285 1 6 . 1 1 51 51 SER CB C 51 59.884 59.884 63.934 -4.050 19431 2286 1 6 . 1 1 52 52 TYR N N 52 125.611 125.611 114.006 11.605 19431 2287 1 6 . 1 1 52 52 TYR CB C 52 36.647 36.647 39.521 -2.874 19431 2288 1 6 . 1 1 53 53 ASP N N 53 119.653 119.653 119.534 0.119 19431 2289 1 6 . 1 1 53 53 ASP HA H 53 4.115 4.115 4.549 -0.434 19431 2290 1 6 . 1 1 53 53 ASP CA C 53 54.553 54.553 55.180 -0.627 19431 2291 1 6 . 1 1 53 53 ASP CB C 53 37.477 37.477 42.018 -4.541 19431 2292 1 6 . 1 1 54 54 SER N N 54 114.883 114.883 117.012 -2.129 19431 2293 1 6 . 1 1 54 54 SER HA H 54 3.946 3.946 4.246 -0.300 19431 2294 1 6 . 1 1 54 54 SER CA C 54 59.741 59.741 60.617 -0.875 19431 2295 1 6 . 1 1 54 54 SER CB C 54 59.750 59.750 63.233 -3.483 19431 2296 1 6 . 1 1 55 55 TYR N N 55 123.933 123.933 123.251 0.682 19431 2297 1 6 . 1 1 55 55 TYR HA H 55 4.361 4.361 4.226 0.135 19431 2298 1 6 . 1 1 55 55 TYR CA C 55 57.213 57.213 61.266 -4.053 19431 2299 1 6 . 1 1 55 55 TYR CB C 55 34.024 34.024 38.111 -4.087 19431 2300 1 6 . 1 1 56 56 LEU N N 56 119.758 119.758 116.944 2.814 19431 2301 1 6 . 1 1 56 56 LEU HA H 56 3.252 3.252 3.682 -0.430 19431 2302 1 6 . 1 1 56 56 LEU CA C 56 54.681 54.681 56.874 -2.193 19431 2303 1 6 . 1 1 56 56 LEU CB C 56 38.151 38.151 41.339 -3.188 19431 2304 1 6 . 1 1 57 57 LYS N N 57 118.487 118.487 117.599 0.888 19431 2305 1 6 . 1 1 57 57 LYS HA H 57 3.852 3.852 4.272 -0.420 19431 2306 1 6 . 1 1 57 57 LYS CA C 57 56.090 56.090 57.647 -1.556 19431 2307 1 6 . 1 1 57 57 LYS CB C 57 29.683 29.683 31.808 -2.125 19431 2308 1 6 . 1 1 58 58 ILE N N 58 120.887 120.887 119.161 1.726 19431 2309 1 6 . 1 1 58 58 ILE HA H 58 3.591 3.591 3.782 -0.191 19431 2310 1 6 . 1 1 58 58 ILE CA C 58 61.366 61.366 63.773 -2.407 19431 2311 1 6 . 1 1 58 58 ILE CB C 58 35.144 35.144 38.082 -2.938 19431 2312 1 6 . 1 1 59 59 LEU N N 59 122.273 122.273 120.402 1.871 19431 2313 1 6 . 1 1 59 59 LEU HA H 59 3.437 3.437 3.653 -0.216 19431 2314 1 6 . 1 1 59 59 LEU CA C 59 54.847 54.847 58.082 -3.235 19431 2315 1 6 . 1 1 59 59 LEU CB C 59 39.071 39.071 41.590 -2.519 19431 2316 1 6 . 1 1 60 60 GLU N N 60 118.591 118.591 117.125 1.466 19431 2317 1 6 . 1 1 60 60 GLU HA H 60 3.810 3.810 4.034 -0.224 19431 2318 1 6 . 1 1 60 60 GLU CA C 60 56.156 56.156 58.785 -2.629 19431 2319 1 6 . 1 1 60 60 GLU CB C 60 26.820 26.820 29.232 -2.412 19431 2320 1 6 . 1 1 61 61 LYS N N 61 115.698 115.698 116.329 -0.631 19431 2321 1 6 . 1 1 61 61 LYS HA H 61 4.029 4.029 4.479 -0.450 19431 2322 1 6 . 1 1 61 61 LYS CA C 61 54.164 54.164 56.197 -2.033 19431 2323 1 6 . 1 1 61 61 LYS CB C 61 29.581 29.581 32.175 -2.594 19431 2324 1 6 . 1 1 62 62 GLN N N 62 114.863 114.863 118.739 -3.876 19431 2325 1 6 . 1 1 62 62 GLN HA H 62 3.851 3.851 4.311 -0.460 19431 2326 1 6 . 1 1 62 62 GLN CA C 62 52.258 52.258 54.829 -2.571 19431 2327 1 6 . 1 1 62 62 GLN CB C 62 25.186 25.186 28.775 -3.589 19431 2328 1 6 . 1 1 63 63 GLY N N 63 101.724 101.724 108.089 -6.365 19431 2329 1 6 . 1 1 63 63 GLY CA C 63 41.815 41.815 44.884 -3.069 19431 2330 1 6 . 1 1 64 64 GLU N N 64 118.731 118.731 121.131 -2.400 19431 2331 1 6 . 1 1 64 64 GLU HA H 64 4.137 4.137 4.718 -0.581 19431 2332 1 6 . 1 1 64 64 GLU CA C 64 54.598 54.598 54.577 0.021 19431 2333 1 6 . 1 1 64 64 GLU CB C 64 28.312 28.312 31.752 -3.440 19431 2334 1 6 . 1 1 65 65 PHE N N 65 123.366 123.366 122.689 0.677 19431 2335 1 6 . 1 1 65 65 PHE HA H 65 3.825 3.825 3.933 -0.108 19431 2336 1 6 . 1 1 65 65 PHE CA C 65 57.419 57.419 57.656 -0.237 19431 2337 1 6 . 1 1 65 65 PHE CB C 65 36.666 36.666 38.888 -2.222 19431 2338 1 6 . 1 1 66 66 LYS N N 66 125.336 125.336 126.467 -1.131 19431 2339 1 6 . 1 1 66 66 LYS HA H 66 4.168 4.168 4.038 0.130 19431 2340 1 6 . 1 1 66 66 LYS CA C 66 53.226 53.226 55.968 -2.741 19431 2341 1 6 . 1 1 66 66 LYS CB C 66 30.293 30.293 33.984 -3.691 19431 2342 1 6 . 1 1 67 67 GLU N N 67 112.076 112.076 117.886 -5.810 19431 2343 1 6 . 1 1 67 67 GLU HA H 67 4.069 4.069 4.236 -0.167 19431 2344 1 6 . 1 1 67 67 GLU CA C 67 52.907 52.907 56.086 -3.179 19431 2345 1 6 . 1 1 67 67 GLU CB C 67 29.378 29.378 32.111 -2.733 19431 2346 1 6 . 1 1 68 68 PHE N N 68 118.706 118.706 122.021 -3.315 19431 2347 1 6 . 1 1 68 68 PHE CB C 68 38.408 38.408 39.705 -1.297 19431 2348 1 6 . 1 1 69 69 GLY N N 69 112.889 112.889 112.003 0.886 19431 2349 1 6 . 1 1 69 69 GLY CA C 69 41.353 41.353 44.484 -3.131 19431 2350 1 6 . 1 1 70 70 LYS N N 70 122.409 122.409 119.598 2.811 19431 2351 1 6 . 1 1 70 70 LYS HA H 70 4.085 4.085 4.484 -0.399 19431 2352 1 6 . 1 1 70 70 LYS CA C 70 54.418 54.418 55.726 -1.308 19431 2353 1 6 . 1 1 70 70 LYS CB C 70 31.197 31.197 34.586 -3.389 19431 2354 1 6 . 1 1 71 71 CYS N N 71 118.509 118.509 117.813 0.696 19431 2355 1 6 . 1 1 71 71 CYS HA H 71 5.332 5.332 4.924 0.408 19431 2356 1 6 . 1 1 71 71 CYS CA C 71 54.655 54.655 57.430 -2.775 19431 2357 1 6 . 1 1 71 71 CYS CB C 71 28.223 28.223 28.241 -0.018 19431 2358 1 6 . 1 1 72 72 THR N N 72 120.129 120.129 121.745 -1.616 19431 2359 1 6 . 1 1 72 72 THR HA H 72 4.272 4.272 4.303 -0.031 19431 2360 1 6 . 1 1 72 72 THR CA C 72 58.652 58.652 62.241 -3.589 19431 2361 1 6 . 1 1 72 72 THR CB C 72 68.199 68.199 69.584 -1.385 19431 2362 1 6 . 1 1 73 73 TYR N N 73 122.772 122.772 124.713 -1.941 19431 2363 1 6 . 1 1 73 73 TYR HA H 73 5.034 5.034 5.222 -0.188 19431 2364 1 6 . 1 1 73 73 TYR CA C 73 55.497 55.497 56.896 -1.399 19431 2365 1 6 . 1 1 73 73 TYR CB C 73 38.271 38.271 40.448 -2.177 19431 2366 1 6 . 1 1 74 74 LEU N N 74 117.980 117.980 116.666 1.314 19431 2367 1 6 . 1 1 74 74 LEU HA H 74 4.466 4.466 5.094 -0.628 19431 2368 1 6 . 1 1 74 74 LEU CA C 74 51.805 51.805 53.361 -1.556 19431 2369 1 6 . 1 1 74 74 LEU CB C 74 42.030 42.030 45.734 -3.704 19431 2370 1 6 . 1 1 75 75 GLY N N 75 105.257 105.257 104.547 0.710 19431 2371 1 6 . 1 1 75 75 GLY CA C 75 42.799 42.799 44.961 -2.162 19431 2372 1 6 . 1 1 76 76 GLN N N 76 119.071 119.071 116.636 2.435 19431 2373 1 6 . 1 1 76 76 GLN HA H 76 4.938 4.938 4.703 0.235 19431 2374 1 6 . 1 1 76 76 GLN CA C 76 52.495 52.495 54.965 -2.470 19431 2375 1 6 . 1 1 76 76 GLN CB C 76 30.498 30.498 32.938 -2.440 19431 2376 1 6 . 1 1 77 77 ILE N N 77 123.550 123.550 122.053 1.497 19431 2377 1 6 . 1 1 77 77 ILE HA H 77 4.992 4.992 5.169 -0.177 19431 2378 1 6 . 1 1 77 77 ILE CA C 77 57.239 57.239 60.415 -3.176 19431 2379 1 6 . 1 1 77 77 ILE CB C 77 36.664 36.664 39.370 -2.706 19431 2380 1 6 . 1 1 78 78 LYS N N 78 127.532 127.532 127.950 -0.418 19431 2381 1 6 . 1 1 78 78 LYS HA H 78 4.585 4.585 4.586 -0.001 19431 2382 1 6 . 1 1 78 78 LYS CA C 78 52.768 52.768 54.876 -2.108 19431 2383 1 6 . 1 1 78 78 LYS CB C 78 32.536 32.536 33.340 -0.804 19431 2384 1 6 . 1 1 79 79 ASP N N 79 128.019 128.019 126.429 1.590 19431 2385 1 6 . 1 1 79 79 ASP HA H 79 4.168 4.168 4.272 -0.104 19431 2386 1 6 . 1 1 79 79 ASP CA C 79 53.258 53.258 57.056 -3.799 19431 2387 1 6 . 1 1 79 79 ASP CB C 79 36.826 36.826 40.064 -3.238 19431 2388 1 6 . 1 1 80 80 ASN N N 80 110.608 110.608 116.987 -6.379 19431 2389 1 6 . 1 1 80 80 ASN HA H 80 4.168 4.168 4.890 -0.722 19431 2390 1 6 . 1 1 80 80 ASN CA C 80 51.912 51.912 53.200 -1.288 19431 2391 1 6 . 1 1 80 80 ASN CB C 80 35.506 35.506 41.394 -5.888 19431 2392 1 6 . 1 1 81 81 LYS N N 81 121.116 121.116 121.731 -0.615 19431 2393 1 6 . 1 1 81 81 LYS HA H 81 4.482 4.482 4.517 -0.035 19431 2394 1 6 . 1 1 81 81 LYS CA C 81 52.353 52.353 54.505 -2.152 19431 2395 1 6 . 1 1 81 81 LYS CB C 81 32.119 32.119 34.672 -2.554 19431 2396 1 6 . 1 1 82 82 LYS N N 82 119.259 119.259 122.361 -3.102 19431 2397 1 6 . 1 1 82 82 LYS HA H 82 4.765 4.765 5.231 -0.466 19431 2398 1 6 . 1 1 82 82 LYS CA C 82 52.722 52.722 55.514 -2.792 19431 2399 1 6 . 1 1 82 82 LYS CB C 82 32.934 32.934 34.793 -1.859 19431 2400 1 6 . 1 1 83 83 TYR N N 83 118.176 118.176 120.565 -2.389 19431 2401 1 6 . 1 1 83 83 TYR HA H 83 5.275 5.275 4.916 0.359 19431 2402 1 6 . 1 1 83 83 TYR CA C 83 53.383 53.383 56.637 -3.254 19431 2403 1 6 . 1 1 83 83 TYR CB C 83 38.026 38.026 43.393 -5.367 19431 2404 1 6 . 1 1 84 84 GLY N N 84 111.686 111.686 107.605 4.081 19431 2405 1 6 . 1 1 84 84 GLY CA C 84 41.219 41.219 42.909 -1.690 19431 2406 1 6 . 1 1 85 85 GLY N N 85 111.232 111.232 108.893 2.339 19431 2407 1 6 . 1 1 85 85 GLY CA C 85 42.272 42.272 43.283 -1.011 19431 2408 1 6 . 1 1 86 86 VAL N N 86 115.256 115.256 122.198 -6.942 19431 2409 1 6 . 1 1 86 86 VAL HA H 86 5.127 5.127 5.136 -0.009 19431 2410 1 6 . 1 1 86 86 VAL CA C 86 55.741 55.741 60.011 -4.271 19431 2411 1 6 . 1 1 86 86 VAL CB C 86 33.129 33.129 35.597 -2.468 19431 2412 1 6 . 1 1 87 87 ILE N N 87 125.124 125.124 130.904 -5.780 19431 2413 1 6 . 1 1 87 87 ILE HA H 87 5.206 5.206 4.557 0.649 19431 2414 1 6 . 1 1 87 87 ILE CA C 87 57.168 57.168 60.567 -3.399 19431 2415 1 6 . 1 1 87 87 ILE CB C 87 36.590 36.590 37.596 -1.006 19431 2416 1 6 . 1 1 88 88 ILE N N 88 128.056 128.056 129.390 -1.334 19431 2417 1 6 . 1 1 88 88 ILE HA H 88 5.146 5.146 4.945 0.201 19431 2418 1 6 . 1 1 88 88 ILE CA C 88 55.356 55.356 59.180 -3.824 19431 2419 1 6 . 1 1 88 88 ILE CB C 88 39.847 39.847 39.986 -0.139 19431 2420 1 6 . 1 1 89 89 VAL N N 89 128.326 128.326 127.062 1.264 19431 2421 1 6 . 1 1 89 89 VAL HA H 89 4.387 4.387 5.223 -0.836 19431 2422 1 6 . 1 1 89 89 VAL CA C 89 59.839 59.839 60.422 -0.583 19431 2423 1 6 . 1 1 89 89 VAL CB C 89 30.295 30.295 32.627 -2.332 19431 2424 1 6 . 1 1 90 90 VAL N N 90 128.738 128.738 122.809 5.929 19431 2425 1 6 . 1 1 90 90 VAL HA H 90 4.207 4.207 4.788 -0.581 19431 2426 1 6 . 1 1 90 90 VAL CA C 90 59.722 59.722 60.208 -0.486 19431 2427 1 6 . 1 1 90 90 VAL CB C 90 31.537 31.537 34.988 -3.451 19431 2428 1 6 . 1 1 91 91 LYS N N 91 126.004 126.004 130.577 -4.573 19431 2429 1 6 . 1 1 91 91 LYS HA H 91 4.629 4.629 4.512 0.117 19431 2430 1 6 . 1 1 91 91 LYS CA C 91 52.972 52.972 55.968 -2.996 19431 2431 1 6 . 1 1 91 91 LYS CB C 91 30.789 30.789 31.161 -0.372 19431 2432 1 6 . 1 1 92 92 TYR N N 92 123.932 123.932 124.756 -0.824 19431 2433 1 6 . 1 1 92 92 TYR HA H 92 4.940 4.940 4.740 0.200 19431 2434 1 6 . 1 1 92 92 TYR CA C 92 53.905 53.905 58.014 -4.109 19431 2435 1 6 . 1 1 92 92 TYR CB C 92 39.331 39.331 39.733 -0.402 19431 2436 1 6 . 1 1 93 93 GLU N N 93 122.195 122.195 119.860 2.335 19431 2437 1 6 . 1 1 93 93 GLU HA H 93 3.834 3.834 4.157 -0.323 19431 2438 1 6 . 1 1 93 93 GLU CA C 93 57.465 57.465 58.971 -1.506 19431 2439 1 6 . 1 1 93 93 GLU CB C 93 28.695 28.695 29.964 -1.269 19431 2440 1 6 . 1 1 94 94 GLU N N 94 110.219 110.219 115.202 -4.983 19431 2441 1 6 . 1 1 94 94 GLU HA H 94 4.440 4.440 4.532 -0.092 19431 2442 1 6 . 1 1 94 94 GLU CA C 94 52.555 52.555 56.165 -3.610 19431 2443 1 6 . 1 1 94 94 GLU CB C 94 26.861 26.861 31.880 -5.019 19431 2444 1 6 . 1 1 95 95 GLY N N 95 106.566 106.566 107.640 -1.074 19431 2445 1 6 . 1 1 95 95 GLY CA C 95 42.542 42.542 45.271 -2.729 19431 2446 1 6 . 1 1 96 96 ASN N N 96 116.707 116.707 120.760 -4.053 19431 2447 1 6 . 1 1 96 96 ASN HA H 96 5.720 5.720 5.950 -0.230 19431 2448 1 6 . 1 1 96 96 ASN CA C 96 49.003 49.003 51.348 -2.345 19431 2449 1 6 . 1 1 96 96 ASN CB C 96 37.602 37.602 40.126 -2.524 19431 2450 1 6 . 1 1 97 97 VAL N N 97 122.002 122.002 124.182 -2.180 19431 2451 1 6 . 1 1 97 97 VAL HA H 97 4.117 4.117 4.028 0.089 19431 2452 1 6 . 1 1 97 97 VAL CA C 97 58.404 58.404 61.139 -2.735 19431 2453 1 6 . 1 1 97 97 VAL CB C 97 33.456 33.456 31.648 1.808 19431 2454 1 6 . 1 1 98 98 ASN N N 98 124.376 124.376 126.606 -2.230 19431 2455 1 6 . 1 1 98 98 ASN HA H 98 5.135 5.135 4.736 0.399 19431 2456 1 6 . 1 1 98 98 ASN CA C 98 48.630 48.630 51.649 -3.019 19431 2457 1 6 . 1 1 98 98 ASN CB C 98 36.031 36.031 37.387 -1.356 19431 2458 1 6 . 1 1 99 99 TYR N N 99 123.932 123.932 124.441 -0.509 19431 2459 1 6 . 1 1 99 99 TYR HA H 99 4.640 4.640 4.560 0.080 19431 2460 1 6 . 1 1 99 99 TYR CA C 99 55.468 55.468 58.151 -2.683 19431 2461 1 6 . 1 1 99 99 TYR CB C 99 38.122 38.122 37.397 0.726 19431 2462 1 6 . 1 1 100 100 SER N N 100 115.327 115.327 120.640 -5.313 19431 2463 1 6 . 1 1 100 100 SER HA H 100 5.242 5.242 4.620 0.622 19431 2464 1 6 . 1 1 100 100 SER CA C 100 53.767 53.767 58.548 -4.781 19431 2465 1 6 . 1 1 100 100 SER CB C 100 60.649 60.649 62.227 -1.577 19431 2466 1 6 . 1 1 101 101 LEU N N 101 130.521 130.521 126.630 3.891 19431 2467 1 6 . 1 1 101 101 LEU HA H 101 4.978 4.978 5.198 -0.220 19431 2468 1 6 . 1 1 101 101 LEU CA C 101 51.756 51.756 53.811 -2.055 19431 2469 1 6 . 1 1 101 101 LEU CB C 101 42.765 42.765 43.969 -1.204 19431 2470 1 6 . 1 1 102 102 ALA N N 102 121.373 121.373 125.331 -3.958 19431 2471 1 6 . 1 1 102 102 ALA HA H 102 4.994 4.994 5.174 -0.180 19431 2472 1 6 . 1 1 102 102 ALA CA C 102 48.505 48.505 50.778 -2.273 19431 2473 1 6 . 1 1 102 102 ALA CB C 102 19.355 19.355 22.708 -3.353 19431 2474 1 6 . 1 1 103 103 TYR N N 103 120.633 120.633 118.209 2.424 19431 2475 1 6 . 1 1 103 103 TYR HA H 103 5.311 5.311 5.479 -0.168 19431 2476 1 6 . 1 1 103 103 TYR CA C 103 55.519 55.519 55.542 -0.023 19431 2477 1 6 . 1 1 103 103 TYR CB C 103 42.037 42.037 40.060 1.977 19431 2478 1 6 . 1 1 104 104 ASP N N 104 118.129 118.129 119.804 -1.675 19431 2479 1 6 . 1 1 104 104 ASP HA H 104 5.163 5.163 4.760 0.403 19431 2480 1 6 . 1 1 104 104 ASP CA C 104 49.372 49.372 52.452 -3.080 19431 2481 1 6 . 1 1 104 104 ASP CB C 104 39.054 39.054 43.484 -4.430 19431 2482 1 6 . 1 1 105 105 GLU N N 105 115.031 115.031 118.704 -3.673 19431 2483 1 6 . 1 1 105 105 GLU HA H 105 3.624 3.624 4.270 -0.646 19431 2484 1 6 . 1 1 105 105 GLU CA C 105 55.976 55.976 58.444 -2.468 19431 2485 1 6 . 1 1 105 105 GLU CB C 105 27.111 27.111 29.813 -2.702 19431 2486 1 6 . 1 1 106 106 ASP N N 106 119.038 119.038 119.559 -0.521 19431 2487 1 6 . 1 1 107 107 MET N N 107 111.995 111.995 111.928 0.067 19431 2488 1 6 . 1 1 107 107 MET HA H 107 4.343 4.343 4.049 0.294 19431 2489 1 6 . 1 1 107 107 MET CA C 107 51.671 51.671 55.675 -4.005 19431 2490 1 6 . 1 1 107 107 MET CB C 107 21.629 21.629 33.786 -12.157 19431 2491 1 6 . 1 1 108 108 ASN N N 108 117.079 117.079 118.208 -1.129 19431 2492 1 6 . 1 1 108 108 ASN HA H 108 5.111 5.111 4.881 0.230 19431 2493 1 6 . 1 1 108 108 ASN CA C 108 49.519 49.519 51.343 -1.824 19431 2494 1 6 . 1 1 108 108 ASN CB C 108 37.221 37.221 38.553 -1.332 19431 2495 1 6 . 1 1 109 109 LEU N N 109 122.211 122.211 122.509 -0.298 19431 2496 1 6 . 1 1 109 109 LEU HA H 109 4.020 4.020 4.201 -0.181 19431 2497 1 6 . 1 1 109 109 LEU CA C 109 52.898 52.898 54.702 -1.804 19431 2498 1 6 . 1 1 109 109 LEU CB C 109 40.774 40.774 38.658 2.116 19431 2499 1 6 . 1 1 110 110 VAL N N 110 109.806 109.806 126.761 -16.955 19431 2500 1 6 . 1 1 110 110 VAL HA H 110 4.551 4.551 4.066 0.485 19431 2501 1 6 . 1 1 110 110 VAL CA C 110 57.276 57.276 62.877 -5.601 19431 2502 1 6 . 1 1 110 110 VAL CB C 110 30.242 30.242 32.681 -2.439 19431 2503 1 6 . 1 1 111 111 SER N N 111 113.487 113.487 115.098 -1.611 19431 2504 1 6 . 1 1 111 111 SER HA H 111 4.476 4.476 4.665 -0.189 19431 2505 1 6 . 1 1 111 111 SER CA C 111 55.637 55.637 58.695 -3.058 19431 2506 1 6 . 1 1 111 111 SER CB C 111 61.288 61.288 64.884 -3.596 19431 2507 1 6 . 1 1 112 112 PHE N N 112 126.988 126.988 128.063 -1.075 19431 2508 1 6 . 1 1 112 112 PHE HA H 112 4.991 4.991 4.859 0.132 19431 2509 1 6 . 1 1 112 112 PHE CA C 112 55.305 55.305 57.144 -1.839 19431 2510 1 6 . 1 1 112 112 PHE CB C 112 40.128 40.128 41.148 -1.020 19431 2511 1 6 . 1 1 113 113 THR N N 113 120.333 120.333 119.669 0.664 19431 2512 1 6 . 1 1 113 113 THR HA H 113 4.775 4.775 4.742 0.033 19431 2513 1 6 . 1 1 113 113 THR CA C 113 57.888 57.888 60.224 -2.336 19431 2514 1 6 . 1 1 113 113 THR CB C 113 69.193 69.193 72.044 -2.851 19431 2515 1 7 . 1 1 2 2 GLU HA H 2 4.446 4.446 4.412 0.034 19431 2516 1 7 . 1 1 2 2 GLU CA C 2 53.359 53.359 55.285 -1.926 19431 2517 1 7 . 1 1 2 2 GLU CB C 2 29.108 29.108 30.689 -1.581 19431 2518 1 7 . 1 1 3 3 ILE N N 3 123.144 123.144 124.062 -0.918 19431 2519 1 7 . 1 1 3 3 ILE HA H 3 4.358 4.358 4.514 -0.156 19431 2520 1 7 . 1 1 3 3 ILE CA C 3 57.727 57.727 59.204 -1.477 19431 2521 1 7 . 1 1 3 3 ILE CB C 3 35.665 35.665 38.426 -2.761 19431 2522 1 7 . 1 1 4 4 LEU N N 4 127.461 127.461 127.720 -0.259 19431 2523 1 7 . 1 1 4 4 LEU HA H 4 4.554 4.554 4.595 -0.041 19431 2524 1 7 . 1 1 4 4 LEU CA C 4 51.011 51.011 53.736 -2.725 19431 2525 1 7 . 1 1 4 4 LEU CB C 4 41.209 41.209 42.794 -1.585 19431 2526 1 7 . 1 1 5 5 LYS N N 5 121.611 121.611 121.804 -0.193 19431 2527 1 7 . 1 1 5 5 LYS HA H 5 4.436 4.436 4.261 0.175 19431 2528 1 7 . 1 1 5 5 LYS CA C 5 53.150 53.150 56.584 -3.434 19431 2529 1 7 . 1 1 5 5 LYS CB C 5 29.359 29.359 31.771 -2.412 19431 2530 1 7 . 1 1 6 6 GLU N N 6 115.825 115.825 113.403 2.422 19431 2531 1 7 . 1 1 6 6 GLU HA H 6 4.269 4.269 4.599 -0.330 19431 2532 1 7 . 1 1 6 6 GLU CA C 6 51.331 51.331 54.517 -3.186 19431 2533 1 7 . 1 1 6 6 GLU CB C 6 29.583 29.583 31.390 -1.807 19431 2534 1 7 . 1 1 7 7 LEU N N 7 118.967 118.967 122.631 -3.664 19431 2535 1 7 . 1 1 7 7 LEU HA H 7 4.311 4.311 4.588 -0.277 19431 2536 1 7 . 1 1 7 7 LEU CA C 7 50.182 50.182 53.139 -2.957 19431 2537 1 7 . 1 1 7 7 LEU CB C 7 39.422 39.422 41.558 -2.136 19431 2538 1 7 . 1 1 8 8 PRO HA H 8 4.432 4.432 4.539 -0.107 19431 2539 1 7 . 1 1 8 8 PRO CA C 8 59.119 59.119 62.264 -3.145 19431 2540 1 7 . 1 1 8 8 PRO CB C 8 29.306 29.306 32.579 -3.273 19431 2541 1 7 . 1 1 9 9 GLU N N 9 121.059 121.059 119.489 1.570 19431 2542 1 7 . 1 1 9 9 GLU HA H 9 4.033 4.033 4.054 -0.021 19431 2543 1 7 . 1 1 9 9 GLU CA C 9 55.281 55.281 57.511 -2.230 19431 2544 1 7 . 1 1 9 9 GLU CB C 9 26.864 26.864 29.421 -2.557 19431 2545 1 7 . 1 1 10 10 GLY N N 10 112.279 112.279 111.544 0.735 19431 2546 1 7 . 1 1 10 10 GLY CA C 10 42.029 42.029 44.544 -2.514 19431 2547 1 7 . 1 1 11 11 PHE N N 11 117.612 117.612 117.633 -0.021 19431 2548 1 7 . 1 1 11 11 PHE HA H 11 4.660 4.660 4.863 -0.203 19431 2549 1 7 . 1 1 11 11 PHE CA C 11 54.280 54.280 56.043 -1.763 19431 2550 1 7 . 1 1 11 11 PHE CB C 11 39.721 39.721 40.889 -1.168 19431 2551 1 7 . 1 1 12 12 ASP N N 12 121.568 121.568 120.620 0.948 19431 2552 1 7 . 1 1 12 12 ASP HA H 12 4.875 4.875 4.827 0.048 19431 2553 1 7 . 1 1 12 12 ASP CA C 12 49.676 49.676 52.923 -3.247 19431 2554 1 7 . 1 1 12 12 ASP CB C 12 42.307 42.307 43.321 -1.014 19431 2555 1 7 . 1 1 13 13 LYS N N 13 125.770 125.770 124.666 1.104 19431 2556 1 7 . 1 1 13 13 LYS HA H 13 3.294 3.294 3.094 0.200 19431 2557 1 7 . 1 1 13 13 LYS CA C 13 58.046 58.046 60.135 -2.089 19431 2558 1 7 . 1 1 13 13 LYS CB C 13 30.216 30.216 32.277 -2.061 19431 2559 1 7 . 1 1 14 14 GLU N N 14 118.590 118.590 117.270 1.320 19431 2560 1 7 . 1 1 14 14 GLU HA H 14 4.090 4.090 4.144 -0.054 19431 2561 1 7 . 1 1 14 14 GLU CA C 14 56.364 56.364 59.454 -3.090 19431 2562 1 7 . 1 1 14 14 GLU CB C 14 26.479 26.479 29.450 -2.971 19431 2563 1 7 . 1 1 15 15 THR N N 15 118.372 118.372 117.698 0.674 19431 2564 1 7 . 1 1 15 15 THR HA H 15 3.737 3.737 4.064 -0.327 19431 2565 1 7 . 1 1 15 15 THR CA C 15 63.974 63.974 66.797 -2.823 19431 2566 1 7 . 1 1 15 15 THR CB C 15 65.565 65.565 68.705 -3.140 19431 2567 1 7 . 1 1 16 16 VAL N N 16 121.083 121.083 121.548 -0.465 19431 2568 1 7 . 1 1 16 16 VAL HA H 16 3.329 3.329 4.236 -0.907 19431 2569 1 7 . 1 1 16 16 VAL CA C 16 64.214 64.214 65.898 -1.684 19431 2570 1 7 . 1 1 16 16 VAL CB C 16 29.011 29.011 31.551 -2.540 19431 2571 1 7 . 1 1 17 17 ARG N N 17 119.409 119.409 120.398 -0.989 19431 2572 1 7 . 1 1 17 17 ARG HA H 17 3.737 3.737 4.034 -0.297 19431 2573 1 7 . 1 1 17 17 ARG CA C 17 58.049 58.049 59.688 -1.639 19431 2574 1 7 . 1 1 17 17 ARG CB C 17 27.401 27.401 30.169 -2.768 19431 2575 1 7 . 1 1 18 18 LYS N N 18 116.168 116.168 118.180 -2.012 19431 2576 1 7 . 1 1 18 18 LYS HA H 18 3.800 3.800 4.094 -0.294 19431 2577 1 7 . 1 1 18 18 LYS CA C 18 57.031 57.031 58.942 -1.911 19431 2578 1 7 . 1 1 18 18 LYS CB C 18 29.801 29.801 32.508 -2.707 19431 2579 1 7 . 1 1 19 19 GLN N N 19 120.008 120.008 118.980 1.028 19431 2580 1 7 . 1 1 19 19 GLN HA H 19 3.767 3.767 4.234 -0.467 19431 2581 1 7 . 1 1 19 19 GLN CA C 19 54.492 54.492 55.758 -1.266 19431 2582 1 7 . 1 1 19 19 GLN CB C 19 26.490 26.490 26.609 -0.119 19431 2583 1 7 . 1 1 20 20 ALA N N 20 122.405 122.405 122.362 0.043 19431 2584 1 7 . 1 1 20 20 ALA HA H 20 4.404 4.404 4.550 -0.146 19431 2585 1 7 . 1 1 20 20 ALA CA C 20 52.036 52.036 53.749 -1.713 19431 2586 1 7 . 1 1 20 20 ALA CB C 20 16.407 16.407 19.471 -3.064 19431 2587 1 7 . 1 1 21 21 MET N N 21 115.042 115.042 120.114 -5.072 19431 2588 1 7 . 1 1 21 21 MET HA H 21 3.354 3.354 3.597 -0.243 19431 2589 1 7 . 1 1 21 21 MET CA C 21 56.861 56.861 59.774 -2.913 19431 2590 1 7 . 1 1 21 21 MET CB C 21 30.538 30.538 32.453 -1.915 19431 2591 1 7 . 1 1 22 22 GLU N N 22 118.882 118.882 119.239 -0.357 19431 2592 1 7 . 1 1 22 22 GLU HA H 22 3.923 3.923 4.191 -0.268 19431 2593 1 7 . 1 1 22 22 GLU CA C 22 56.675 56.675 59.248 -2.573 19431 2594 1 7 . 1 1 22 22 GLU CB C 22 26.613 26.613 29.405 -2.792 19431 2595 1 7 . 1 1 23 23 ASP N N 23 122.549 122.549 119.827 2.722 19431 2596 1 7 . 1 1 23 23 ASP HA H 23 4.658 4.658 4.479 0.179 19431 2597 1 7 . 1 1 23 23 ASP CA C 23 55.053 55.053 57.465 -2.412 19431 2598 1 7 . 1 1 23 23 ASP CB C 23 37.479 37.479 40.221 -2.742 19431 2599 1 7 . 1 1 24 24 ILE N N 24 123.580 123.580 119.414 4.166 19431 2600 1 7 . 1 1 24 24 ILE HA H 24 3.678 3.678 3.772 -0.094 19431 2601 1 7 . 1 1 24 24 ILE CA C 24 63.201 63.201 65.527 -2.326 19431 2602 1 7 . 1 1 24 24 ILE CB C 24 35.138 35.138 37.720 -2.582 19431 2603 1 7 . 1 1 25 25 GLU N N 25 120.591 120.591 119.911 0.680 19431 2604 1 7 . 1 1 25 25 GLU HA H 25 3.885 3.885 4.045 -0.160 19431 2605 1 7 . 1 1 25 25 GLU CA C 25 57.824 57.824 59.511 -1.687 19431 2606 1 7 . 1 1 25 25 GLU CB C 25 25.883 25.883 29.655 -3.772 19431 2607 1 7 . 1 1 26 26 ILE N N 26 121.350 121.350 119.334 2.016 19431 2608 1 7 . 1 1 26 26 ILE HA H 26 3.718 3.718 3.668 0.050 19431 2609 1 7 . 1 1 26 26 ILE CA C 26 62.881 62.881 64.938 -2.057 19431 2610 1 7 . 1 1 26 26 ILE CB C 26 35.324 35.324 37.621 -2.297 19431 2611 1 7 . 1 1 27 27 ALA N N 27 120.204 120.204 121.930 -1.726 19431 2612 1 7 . 1 1 28 28 GLN N N 28 114.627 114.627 117.559 -2.932 19431 2613 1 7 . 1 1 28 28 GLN CB C 28 26.380 26.380 28.572 -2.192 19431 2614 1 7 . 1 1 29 29 SER N N 29 115.031 115.031 115.235 -0.204 19431 2615 1 7 . 1 1 29 29 SER HA H 29 4.260 4.260 4.495 -0.235 19431 2616 1 7 . 1 1 29 29 SER CA C 29 57.768 57.768 58.561 -0.793 19431 2617 1 7 . 1 1 29 29 SER CB C 29 61.367 61.367 63.519 -2.152 19431 2618 1 7 . 1 1 30 30 LYS N N 30 112.834 112.834 121.190 -8.356 19431 2619 1 7 . 1 1 30 30 LYS HA H 30 4.228 4.228 3.819 0.409 19431 2620 1 7 . 1 1 30 30 LYS CA C 30 56.103 56.103 57.203 -1.100 19431 2621 1 7 . 1 1 30 30 LYS CB C 30 26.478 26.478 31.047 -4.569 19431 2622 1 7 . 1 1 31 31 ASP N N 31 121.067 121.067 120.259 0.808 19431 2623 1 7 . 1 1 31 31 ASP HA H 31 4.877 4.877 4.182 0.695 19431 2624 1 7 . 1 1 31 31 ASP CA C 31 49.742 49.742 52.433 -2.691 19431 2625 1 7 . 1 1 31 31 ASP CB C 31 38.652 38.652 42.943 -4.291 19431 2626 1 7 . 1 1 32 32 TYR N N 32 126.671 126.671 120.282 6.389 19431 2627 1 7 . 1 1 32 32 TYR HA H 32 3.311 3.311 4.786 -1.475 19431 2628 1 7 . 1 1 32 32 TYR CA C 32 57.951 57.951 57.869 0.082 19431 2629 1 7 . 1 1 32 32 TYR CB C 32 36.158 36.158 40.063 -3.905 19431 2630 1 7 . 1 1 33 33 GLU N N 33 115.884 115.884 118.016 -2.132 19431 2631 1 7 . 1 1 33 33 GLU HA H 33 3.442 3.442 4.514 -1.072 19431 2632 1 7 . 1 1 33 33 GLU CA C 33 56.757 56.757 56.853 -0.096 19431 2633 1 7 . 1 1 33 33 GLU CB C 33 26.095 26.095 31.573 -5.478 19431 2634 1 7 . 1 1 34 34 SER N N 34 116.060 116.060 116.012 0.048 19431 2635 1 7 . 1 1 34 34 SER HA H 34 4.026 4.026 4.422 -0.396 19431 2636 1 7 . 1 1 34 34 SER CA C 34 58.953 58.953 60.979 -2.026 19431 2637 1 7 . 1 1 34 34 SER CB C 34 59.683 59.683 63.599 -3.916 19431 2638 1 7 . 1 1 35 35 TRP N N 35 123.977 123.977 121.474 2.503 19431 2639 1 7 . 1 1 35 35 TRP CA C 35 57.894 57.894 58.461 -0.567 19431 2640 1 7 . 1 1 35 35 TRP CB C 35 25.531 25.531 30.141 -4.610 19431 2641 1 7 . 1 1 36 36 LYS N N 36 117.633 117.633 118.685 -1.052 19431 2642 1 7 . 1 1 36 36 LYS HA H 36 3.128 3.128 4.064 -0.936 19431 2643 1 7 . 1 1 36 36 LYS CA C 36 55.998 55.998 59.110 -3.112 19431 2644 1 7 . 1 1 36 36 LYS CB C 36 29.304 29.304 32.620 -3.316 19431 2645 1 7 . 1 1 37 37 SER N N 37 109.835 109.835 114.706 -4.871 19431 2646 1 7 . 1 1 37 37 SER HA H 37 3.989 3.989 4.214 -0.225 19431 2647 1 7 . 1 1 37 37 SER CA C 37 57.765 57.765 60.917 -3.152 19431 2648 1 7 . 1 1 37 37 SER CB C 37 60.606 60.606 62.855 -2.249 19431 2649 1 7 . 1 1 38 38 ARG N N 38 119.946 119.946 120.008 -0.062 19431 2650 1 7 . 1 1 38 38 ARG HA H 38 4.144 4.144 4.046 0.098 19431 2651 1 7 . 1 1 38 38 ARG CA C 38 51.208 51.208 57.749 -6.541 19431 2652 1 7 . 1 1 38 38 ARG CB C 38 25.717 25.717 30.245 -4.528 19431 2653 1 7 . 1 1 39 39 PHE N N 39 117.529 117.529 115.652 1.877 19431 2654 1 7 . 1 1 39 39 PHE HA H 39 4.855 4.855 4.859 -0.004 19431 2655 1 7 . 1 1 39 39 PHE CA C 39 54.234 54.234 57.595 -3.361 19431 2656 1 7 . 1 1 39 39 PHE CB C 39 37.547 37.547 40.635 -3.088 19431 2657 1 7 . 1 1 40 40 THR N N 40 113.296 113.296 112.714 0.582 19431 2658 1 7 . 1 1 40 40 THR HA H 40 3.991 3.991 4.309 -0.318 19431 2659 1 7 . 1 1 40 40 THR CA C 40 59.704 59.704 61.168 -1.464 19431 2660 1 7 . 1 1 40 40 THR CB C 40 66.175 66.175 70.106 -3.931 19431 2661 1 7 . 1 1 41 41 LYS N N 41 124.924 124.924 119.844 5.080 19431 2662 1 7 . 1 1 41 41 LYS HA H 41 3.713 3.713 4.132 -0.419 19431 2663 1 7 . 1 1 41 41 LYS CA C 41 57.650 57.650 58.611 -0.961 19431 2664 1 7 . 1 1 41 41 LYS CB C 41 29.363 29.363 31.824 -2.461 19431 2665 1 7 . 1 1 42 42 ASP N N 42 116.255 116.255 119.418 -3.163 19431 2666 1 7 . 1 1 42 42 ASP HA H 42 4.343 4.343 4.538 -0.195 19431 2667 1 7 . 1 1 42 42 ASP CA C 42 53.841 53.841 56.440 -2.599 19431 2668 1 7 . 1 1 42 42 ASP CB C 42 37.703 37.703 41.461 -3.758 19431 2669 1 7 . 1 1 43 43 LEU N N 43 119.134 119.134 121.225 -2.091 19431 2670 1 7 . 1 1 43 43 LEU HA H 43 4.320 4.320 4.061 0.259 19431 2671 1 7 . 1 1 43 43 LEU CA C 43 52.423 52.423 57.575 -5.152 19431 2672 1 7 . 1 1 43 43 LEU CB C 43 40.023 40.023 41.919 -1.896 19431 2673 1 7 . 1 1 44 44 GLN N N 44 119.455 119.455 118.277 1.178 19431 2674 1 7 . 1 1 44 44 GLN HA H 44 3.466 3.466 3.851 -0.385 19431 2675 1 7 . 1 1 44 44 GLN CA C 44 57.437 57.437 59.004 -1.567 19431 2676 1 7 . 1 1 44 44 GLN CB C 44 25.394 25.394 28.650 -3.256 19431 2677 1 7 . 1 1 45 45 SER N N 45 110.605 110.605 112.685 -2.080 19431 2678 1 7 . 1 1 45 45 SER HA H 45 4.211 4.211 4.536 -0.325 19431 2679 1 7 . 1 1 45 45 SER CA C 45 57.621 57.621 59.239 -1.618 19431 2680 1 7 . 1 1 45 45 SER CB C 45 60.094 60.094 63.258 -3.164 19431 2681 1 7 . 1 1 46 46 SER N N 46 115.075 115.075 115.660 -0.585 19431 2682 1 7 . 1 1 46 46 SER HA H 46 4.473 4.473 4.561 -0.088 19431 2683 1 7 . 1 1 46 46 SER CA C 46 55.739 55.739 57.969 -2.230 19431 2684 1 7 . 1 1 46 46 SER CB C 46 61.628 61.628 63.843 -2.215 19431 2685 1 7 . 1 1 47 47 LEU N N 47 124.984 124.984 123.733 1.251 19431 2686 1 7 . 1 1 47 47 LEU HA H 47 4.334 4.334 4.137 0.197 19431 2687 1 7 . 1 1 47 47 LEU CA C 47 52.040 52.040 54.700 -2.660 19431 2688 1 7 . 1 1 47 47 LEU CB C 47 39.810 39.810 42.472 -2.662 19431 2689 1 7 . 1 1 48 48 THR N N 48 111.152 111.152 113.593 -2.441 19431 2690 1 7 . 1 1 48 48 THR HA H 48 4.665 4.665 4.521 0.144 19431 2691 1 7 . 1 1 48 48 THR CA C 48 56.718 56.718 61.236 -4.518 19431 2692 1 7 . 1 1 48 48 THR CB C 48 69.103 69.103 69.733 -0.630 19431 2693 1 7 . 1 1 49 49 GLU N N 49 124.552 124.552 126.004 -1.452 19431 2694 1 7 . 1 1 49 49 GLU HA H 49 3.194 3.194 4.386 -1.192 19431 2695 1 7 . 1 1 49 49 GLU CA C 49 56.770 56.770 59.268 -2.498 19431 2696 1 7 . 1 1 49 49 GLU CB C 49 26.148 26.148 29.641 -3.493 19431 2697 1 7 . 1 1 50 50 GLU N N 50 118.615 118.615 119.441 -0.826 19431 2698 1 7 . 1 1 50 50 GLU HA H 50 4.000 4.000 4.007 -0.007 19431 2699 1 7 . 1 1 50 50 GLU CA C 50 57.357 57.357 58.788 -1.431 19431 2700 1 7 . 1 1 50 50 GLU CB C 50 26.511 26.511 29.476 -2.965 19431 2701 1 7 . 1 1 51 51 SER N N 51 116.380 116.380 114.008 2.372 19431 2702 1 7 . 1 1 51 51 SER HA H 51 4.256 4.256 4.514 -0.258 19431 2703 1 7 . 1 1 51 51 SER CA C 51 58.825 58.825 60.362 -1.537 19431 2704 1 7 . 1 1 51 51 SER CB C 51 59.884 59.884 63.370 -3.486 19431 2705 1 7 . 1 1 52 52 TYR N N 52 125.611 125.611 114.312 11.299 19431 2706 1 7 . 1 1 52 52 TYR CB C 52 36.647 36.647 39.338 -2.691 19431 2707 1 7 . 1 1 53 53 ASP N N 53 119.653 119.653 119.872 -0.219 19431 2708 1 7 . 1 1 53 53 ASP HA H 53 4.115 4.115 4.766 -0.651 19431 2709 1 7 . 1 1 53 53 ASP CA C 53 54.553 54.553 54.465 0.088 19431 2710 1 7 . 1 1 53 53 ASP CB C 53 37.477 37.477 42.648 -5.171 19431 2711 1 7 . 1 1 54 54 SER N N 54 114.883 114.883 117.613 -2.730 19431 2712 1 7 . 1 1 54 54 SER HA H 54 3.946 3.946 4.179 -0.233 19431 2713 1 7 . 1 1 54 54 SER CA C 54 59.741 59.741 61.322 -1.581 19431 2714 1 7 . 1 1 54 54 SER CB C 54 59.750 59.750 63.471 -3.721 19431 2715 1 7 . 1 1 55 55 TYR N N 55 123.933 123.933 123.183 0.750 19431 2716 1 7 . 1 1 55 55 TYR HA H 55 4.361 4.361 4.220 0.141 19431 2717 1 7 . 1 1 55 55 TYR CA C 55 57.213 57.213 61.712 -4.499 19431 2718 1 7 . 1 1 55 55 TYR CB C 55 34.024 34.024 38.507 -4.482 19431 2719 1 7 . 1 1 56 56 LEU N N 56 119.758 119.758 117.972 1.786 19431 2720 1 7 . 1 1 56 56 LEU HA H 56 3.252 3.252 3.915 -0.663 19431 2721 1 7 . 1 1 56 56 LEU CA C 56 54.681 54.681 56.902 -2.221 19431 2722 1 7 . 1 1 56 56 LEU CB C 56 38.151 38.151 41.379 -3.228 19431 2723 1 7 . 1 1 57 57 LYS N N 57 118.487 118.487 119.693 -1.206 19431 2724 1 7 . 1 1 57 57 LYS HA H 57 3.852 3.852 4.414 -0.562 19431 2725 1 7 . 1 1 57 57 LYS CA C 57 56.090 56.090 58.811 -2.721 19431 2726 1 7 . 1 1 57 57 LYS CB C 57 29.683 29.683 31.751 -2.068 19431 2727 1 7 . 1 1 58 58 ILE N N 58 120.887 120.887 118.561 2.326 19431 2728 1 7 . 1 1 58 58 ILE HA H 58 3.591 3.591 3.704 -0.113 19431 2729 1 7 . 1 1 58 58 ILE CA C 58 61.366 61.366 64.555 -3.189 19431 2730 1 7 . 1 1 58 58 ILE CB C 58 35.144 35.144 37.983 -2.839 19431 2731 1 7 . 1 1 59 59 LEU N N 59 122.273 122.273 121.031 1.242 19431 2732 1 7 . 1 1 59 59 LEU HA H 59 3.437 3.437 3.634 -0.197 19431 2733 1 7 . 1 1 59 59 LEU CA C 59 54.847 54.847 58.376 -3.529 19431 2734 1 7 . 1 1 59 59 LEU CB C 59 39.071 39.071 41.778 -2.707 19431 2735 1 7 . 1 1 60 60 GLU N N 60 118.591 118.591 116.723 1.868 19431 2736 1 7 . 1 1 60 60 GLU HA H 60 3.810 3.810 3.990 -0.180 19431 2737 1 7 . 1 1 60 60 GLU CA C 60 56.156 56.156 58.715 -2.559 19431 2738 1 7 . 1 1 60 60 GLU CB C 60 26.820 26.820 29.455 -2.635 19431 2739 1 7 . 1 1 61 61 LYS N N 61 115.698 115.698 115.060 0.638 19431 2740 1 7 . 1 1 61 61 LYS HA H 61 4.029 4.029 4.506 -0.477 19431 2741 1 7 . 1 1 61 61 LYS CA C 61 54.164 54.164 55.439 -1.275 19431 2742 1 7 . 1 1 61 61 LYS CB C 61 29.581 29.581 32.583 -3.002 19431 2743 1 7 . 1 1 62 62 GLN N N 62 114.863 114.863 118.144 -3.281 19431 2744 1 7 . 1 1 62 62 GLN HA H 62 3.851 3.851 4.403 -0.552 19431 2745 1 7 . 1 1 62 62 GLN CA C 62 52.258 52.258 55.672 -3.414 19431 2746 1 7 . 1 1 62 62 GLN CB C 62 25.186 25.186 30.305 -5.119 19431 2747 1 7 . 1 1 63 63 GLY N N 63 101.724 101.724 107.736 -6.012 19431 2748 1 7 . 1 1 63 63 GLY CA C 63 41.815 41.815 44.514 -2.699 19431 2749 1 7 . 1 1 64 64 GLU N N 64 118.731 118.731 118.673 0.058 19431 2750 1 7 . 1 1 64 64 GLU HA H 64 4.137 4.137 4.527 -0.390 19431 2751 1 7 . 1 1 64 64 GLU CA C 64 54.598 54.598 55.908 -1.310 19431 2752 1 7 . 1 1 64 64 GLU CB C 64 28.312 28.312 30.598 -2.286 19431 2753 1 7 . 1 1 65 65 PHE N N 65 123.366 123.366 122.751 0.615 19431 2754 1 7 . 1 1 65 65 PHE HA H 65 3.825 3.825 4.011 -0.186 19431 2755 1 7 . 1 1 65 65 PHE CA C 65 57.419 57.419 57.119 0.300 19431 2756 1 7 . 1 1 65 65 PHE CB C 65 36.666 36.666 39.182 -2.516 19431 2757 1 7 . 1 1 66 66 LYS N N 66 125.336 125.336 126.699 -1.363 19431 2758 1 7 . 1 1 66 66 LYS HA H 66 4.168 4.168 3.967 0.201 19431 2759 1 7 . 1 1 66 66 LYS CA C 66 53.226 53.226 56.812 -3.586 19431 2760 1 7 . 1 1 66 66 LYS CB C 66 30.293 30.293 34.250 -3.957 19431 2761 1 7 . 1 1 67 67 GLU N N 67 112.076 112.076 117.080 -5.004 19431 2762 1 7 . 1 1 67 67 GLU HA H 67 4.069 4.069 4.170 -0.101 19431 2763 1 7 . 1 1 67 67 GLU CA C 67 52.907 52.907 55.723 -2.816 19431 2764 1 7 . 1 1 67 67 GLU CB C 67 29.378 29.378 32.359 -2.981 19431 2765 1 7 . 1 1 68 68 PHE N N 68 118.706 118.706 119.585 -0.879 19431 2766 1 7 . 1 1 68 68 PHE CB C 68 38.408 38.408 40.399 -1.991 19431 2767 1 7 . 1 1 69 69 GLY N N 69 112.889 112.889 111.125 1.764 19431 2768 1 7 . 1 1 69 69 GLY CA C 69 41.353 41.353 45.081 -3.728 19431 2769 1 7 . 1 1 70 70 LYS N N 70 122.409 122.409 118.848 3.561 19431 2770 1 7 . 1 1 70 70 LYS HA H 70 4.085 4.085 4.640 -0.555 19431 2771 1 7 . 1 1 70 70 LYS CA C 70 54.418 54.418 54.944 -0.526 19431 2772 1 7 . 1 1 70 70 LYS CB C 70 31.197 31.197 36.123 -4.926 19431 2773 1 7 . 1 1 71 71 CYS N N 71 118.509 118.509 119.811 -1.302 19431 2774 1 7 . 1 1 71 71 CYS HA H 71 5.332 5.332 5.094 0.238 19431 2775 1 7 . 1 1 71 71 CYS CA C 71 54.655 54.655 56.464 -1.809 19431 2776 1 7 . 1 1 71 71 CYS CB C 71 28.223 28.223 27.531 0.692 19431 2777 1 7 . 1 1 72 72 THR N N 72 120.129 120.129 121.349 -1.220 19431 2778 1 7 . 1 1 72 72 THR HA H 72 4.272 4.272 4.197 0.075 19431 2779 1 7 . 1 1 72 72 THR CA C 72 58.652 58.652 62.260 -3.608 19431 2780 1 7 . 1 1 72 72 THR CB C 72 68.199 68.199 69.834 -1.635 19431 2781 1 7 . 1 1 73 73 TYR N N 73 122.772 122.772 124.123 -1.351 19431 2782 1 7 . 1 1 73 73 TYR HA H 73 5.034 5.034 5.076 -0.042 19431 2783 1 7 . 1 1 73 73 TYR CA C 73 55.497 55.497 56.740 -1.243 19431 2784 1 7 . 1 1 73 73 TYR CB C 73 38.271 38.271 40.746 -2.475 19431 2785 1 7 . 1 1 74 74 LEU N N 74 117.980 117.980 119.861 -1.881 19431 2786 1 7 . 1 1 74 74 LEU HA H 74 4.466 4.466 4.847 -0.381 19431 2787 1 7 . 1 1 74 74 LEU CA C 74 51.805 51.805 53.770 -1.965 19431 2788 1 7 . 1 1 74 74 LEU CB C 74 42.030 42.030 45.821 -3.791 19431 2789 1 7 . 1 1 75 75 GLY N N 75 105.257 105.257 106.245 -0.988 19431 2790 1 7 . 1 1 75 75 GLY CA C 75 42.799 42.799 44.742 -1.943 19431 2791 1 7 . 1 1 76 76 GLN N N 76 119.071 119.071 118.493 0.578 19431 2792 1 7 . 1 1 76 76 GLN HA H 76 4.938 4.938 5.099 -0.161 19431 2793 1 7 . 1 1 76 76 GLN CA C 76 52.495 52.495 54.646 -2.151 19431 2794 1 7 . 1 1 76 76 GLN CB C 76 30.498 30.498 33.234 -2.736 19431 2795 1 7 . 1 1 77 77 ILE N N 77 123.550 123.550 123.556 -0.006 19431 2796 1 7 . 1 1 77 77 ILE HA H 77 4.992 4.992 5.188 -0.196 19431 2797 1 7 . 1 1 77 77 ILE CA C 77 57.239 57.239 59.949 -2.710 19431 2798 1 7 . 1 1 77 77 ILE CB C 77 36.664 36.664 38.504 -1.840 19431 2799 1 7 . 1 1 78 78 LYS N N 78 127.532 127.532 129.478 -1.946 19431 2800 1 7 . 1 1 78 78 LYS HA H 78 4.585 4.585 4.072 0.513 19431 2801 1 7 . 1 1 78 78 LYS CA C 78 52.768 52.768 59.465 -6.697 19431 2802 1 7 . 1 1 78 78 LYS CB C 78 32.536 32.536 32.737 -0.201 19431 2803 1 7 . 1 1 79 79 ASP N N 79 128.019 128.019 114.361 13.658 19431 2804 1 7 . 1 1 79 79 ASP HA H 79 4.168 4.168 4.753 -0.585 19431 2805 1 7 . 1 1 79 79 ASP CA C 79 53.258 53.258 55.823 -2.565 19431 2806 1 7 . 1 1 79 79 ASP CB C 79 36.826 36.826 42.851 -6.025 19431 2807 1 7 . 1 1 80 80 ASN N N 80 110.608 110.608 115.366 -4.758 19431 2808 1 7 . 1 1 80 80 ASN HA H 80 4.168 4.168 4.756 -0.588 19431 2809 1 7 . 1 1 80 80 ASN CA C 80 51.912 51.912 53.259 -1.347 19431 2810 1 7 . 1 1 80 80 ASN CB C 80 35.506 35.506 39.909 -4.403 19431 2811 1 7 . 1 1 81 81 LYS N N 81 121.116 121.116 121.010 0.106 19431 2812 1 7 . 1 1 81 81 LYS HA H 81 4.482 4.482 4.307 0.175 19431 2813 1 7 . 1 1 81 81 LYS CA C 81 52.353 52.353 54.825 -2.472 19431 2814 1 7 . 1 1 81 81 LYS CB C 81 32.119 32.119 33.729 -1.610 19431 2815 1 7 . 1 1 82 82 LYS N N 82 119.259 119.259 121.560 -2.301 19431 2816 1 7 . 1 1 82 82 LYS HA H 82 4.765 4.765 5.127 -0.362 19431 2817 1 7 . 1 1 82 82 LYS CA C 82 52.722 52.722 54.742 -2.019 19431 2818 1 7 . 1 1 82 82 LYS CB C 82 32.934 32.934 33.541 -0.607 19431 2819 1 7 . 1 1 83 83 TYR N N 83 118.176 118.176 120.661 -2.485 19431 2820 1 7 . 1 1 83 83 TYR HA H 83 5.275 5.275 4.890 0.385 19431 2821 1 7 . 1 1 83 83 TYR CA C 83 53.383 53.383 56.777 -3.394 19431 2822 1 7 . 1 1 83 83 TYR CB C 83 38.026 38.026 43.279 -5.253 19431 2823 1 7 . 1 1 84 84 GLY N N 84 111.686 111.686 107.832 3.854 19431 2824 1 7 . 1 1 84 84 GLY CA C 84 41.219 41.219 42.600 -1.381 19431 2825 1 7 . 1 1 85 85 GLY N N 85 111.232 111.232 107.594 3.638 19431 2826 1 7 . 1 1 85 85 GLY CA C 85 42.272 42.272 43.364 -1.092 19431 2827 1 7 . 1 1 86 86 VAL N N 86 115.256 115.256 120.257 -5.001 19431 2828 1 7 . 1 1 86 86 VAL HA H 86 5.127 5.127 5.221 -0.094 19431 2829 1 7 . 1 1 86 86 VAL CA C 86 55.741 55.741 60.566 -4.825 19431 2830 1 7 . 1 1 86 86 VAL CB C 86 33.129 33.129 36.136 -3.007 19431 2831 1 7 . 1 1 87 87 ILE N N 87 125.124 125.124 129.817 -4.693 19431 2832 1 7 . 1 1 87 87 ILE HA H 87 5.206 5.206 4.667 0.539 19431 2833 1 7 . 1 1 87 87 ILE CA C 87 57.168 57.168 60.434 -3.266 19431 2834 1 7 . 1 1 87 87 ILE CB C 87 36.590 36.590 38.193 -1.603 19431 2835 1 7 . 1 1 88 88 ILE N N 88 128.056 128.056 128.949 -0.893 19431 2836 1 7 . 1 1 88 88 ILE HA H 88 5.146 5.146 5.236 -0.090 19431 2837 1 7 . 1 1 88 88 ILE CA C 88 55.356 55.356 58.791 -3.434 19431 2838 1 7 . 1 1 88 88 ILE CB C 88 39.847 39.847 41.164 -1.317 19431 2839 1 7 . 1 1 89 89 VAL N N 89 128.326 128.326 128.642 -0.316 19431 2840 1 7 . 1 1 89 89 VAL HA H 89 4.387 4.387 4.880 -0.493 19431 2841 1 7 . 1 1 89 89 VAL CA C 89 59.839 59.839 61.376 -1.536 19431 2842 1 7 . 1 1 89 89 VAL CB C 89 30.295 30.295 32.804 -2.509 19431 2843 1 7 . 1 1 90 90 VAL N N 90 128.738 128.738 128.423 0.315 19431 2844 1 7 . 1 1 90 90 VAL HA H 90 4.207 4.207 4.903 -0.696 19431 2845 1 7 . 1 1 90 90 VAL CA C 90 59.722 59.722 60.185 -0.464 19431 2846 1 7 . 1 1 90 90 VAL CB C 90 31.537 31.537 35.031 -3.494 19431 2847 1 7 . 1 1 91 91 LYS N N 91 126.004 126.004 130.084 -4.080 19431 2848 1 7 . 1 1 91 91 LYS HA H 91 4.629 4.629 4.662 -0.033 19431 2849 1 7 . 1 1 91 91 LYS CA C 91 52.972 52.972 55.266 -2.294 19431 2850 1 7 . 1 1 91 91 LYS CB C 91 30.789 30.789 32.188 -1.399 19431 2851 1 7 . 1 1 92 92 TYR N N 92 123.932 123.932 124.894 -0.962 19431 2852 1 7 . 1 1 92 92 TYR HA H 92 4.940 4.940 4.772 0.168 19431 2853 1 7 . 1 1 92 92 TYR CA C 92 53.905 53.905 58.599 -4.694 19431 2854 1 7 . 1 1 92 92 TYR CB C 92 39.331 39.331 39.710 -0.379 19431 2855 1 7 . 1 1 93 93 GLU N N 93 122.195 122.195 119.996 2.199 19431 2856 1 7 . 1 1 93 93 GLU HA H 93 3.834 3.834 4.050 -0.216 19431 2857 1 7 . 1 1 93 93 GLU CA C 93 57.465 57.465 59.212 -1.746 19431 2858 1 7 . 1 1 93 93 GLU CB C 93 28.695 28.695 29.987 -1.292 19431 2859 1 7 . 1 1 94 94 GLU N N 94 110.219 110.219 114.914 -4.695 19431 2860 1 7 . 1 1 94 94 GLU HA H 94 4.440 4.440 4.559 -0.119 19431 2861 1 7 . 1 1 94 94 GLU CA C 94 52.555 52.555 56.458 -3.903 19431 2862 1 7 . 1 1 94 94 GLU CB C 94 26.861 26.861 32.153 -5.292 19431 2863 1 7 . 1 1 95 95 GLY N N 95 106.566 106.566 108.813 -2.247 19431 2864 1 7 . 1 1 95 95 GLY CA C 95 42.542 42.542 44.039 -1.497 19431 2865 1 7 . 1 1 96 96 ASN N N 96 116.707 116.707 120.451 -3.744 19431 2866 1 7 . 1 1 96 96 ASN HA H 96 5.720 5.720 6.188 -0.468 19431 2867 1 7 . 1 1 96 96 ASN CA C 96 49.003 49.003 52.186 -3.183 19431 2868 1 7 . 1 1 96 96 ASN CB C 96 37.602 37.602 41.717 -4.115 19431 2869 1 7 . 1 1 97 97 VAL N N 97 122.002 122.002 122.626 -0.624 19431 2870 1 7 . 1 1 97 97 VAL HA H 97 4.117 4.117 4.327 -0.210 19431 2871 1 7 . 1 1 97 97 VAL CA C 97 58.404 58.404 60.197 -1.793 19431 2872 1 7 . 1 1 97 97 VAL CB C 97 33.456 33.456 33.916 -0.460 19431 2873 1 7 . 1 1 98 98 ASN N N 98 124.376 124.376 126.643 -2.267 19431 2874 1 7 . 1 1 98 98 ASN HA H 98 5.135 5.135 5.017 0.118 19431 2875 1 7 . 1 1 98 98 ASN CA C 98 48.630 48.630 51.799 -3.169 19431 2876 1 7 . 1 1 98 98 ASN CB C 98 36.031 36.031 37.350 -1.319 19431 2877 1 7 . 1 1 99 99 TYR N N 99 123.932 123.932 123.004 0.928 19431 2878 1 7 . 1 1 99 99 TYR HA H 99 4.640 4.640 4.167 0.473 19431 2879 1 7 . 1 1 99 99 TYR CA C 99 55.468 55.468 59.404 -3.936 19431 2880 1 7 . 1 1 99 99 TYR CB C 99 38.122 38.122 37.744 0.378 19431 2881 1 7 . 1 1 100 100 SER N N 100 115.327 115.327 121.561 -6.234 19431 2882 1 7 . 1 1 100 100 SER HA H 100 5.242 5.242 4.988 0.254 19431 2883 1 7 . 1 1 100 100 SER CA C 100 53.767 53.767 58.014 -4.247 19431 2884 1 7 . 1 1 100 100 SER CB C 100 60.649 60.649 62.630 -1.981 19431 2885 1 7 . 1 1 101 101 LEU N N 101 130.521 130.521 126.354 4.167 19431 2886 1 7 . 1 1 101 101 LEU HA H 101 4.978 4.978 4.849 0.129 19431 2887 1 7 . 1 1 101 101 LEU CA C 101 51.756 51.756 53.962 -2.206 19431 2888 1 7 . 1 1 101 101 LEU CB C 101 42.765 42.765 44.023 -1.258 19431 2889 1 7 . 1 1 102 102 ALA N N 102 121.373 121.373 124.537 -3.164 19431 2890 1 7 . 1 1 102 102 ALA HA H 102 4.994 4.994 5.161 -0.167 19431 2891 1 7 . 1 1 102 102 ALA CA C 102 48.505 48.505 50.783 -2.279 19431 2892 1 7 . 1 1 102 102 ALA CB C 102 19.355 19.355 22.616 -3.260 19431 2893 1 7 . 1 1 103 103 TYR N N 103 120.633 120.633 118.984 1.649 19431 2894 1 7 . 1 1 103 103 TYR HA H 103 5.311 5.311 5.482 -0.171 19431 2895 1 7 . 1 1 103 103 TYR CA C 103 55.519 55.519 55.698 -0.179 19431 2896 1 7 . 1 1 103 103 TYR CB C 103 42.037 42.037 40.288 1.749 19431 2897 1 7 . 1 1 104 104 ASP N N 104 118.129 118.129 119.579 -1.450 19431 2898 1 7 . 1 1 104 104 ASP HA H 104 5.163 5.163 4.833 0.330 19431 2899 1 7 . 1 1 104 104 ASP CA C 104 49.372 49.372 52.084 -2.712 19431 2900 1 7 . 1 1 104 104 ASP CB C 104 39.054 39.054 43.855 -4.801 19431 2901 1 7 . 1 1 105 105 GLU N N 105 115.031 115.031 119.529 -4.498 19431 2902 1 7 . 1 1 105 105 GLU HA H 105 3.624 3.624 4.243 -0.619 19431 2903 1 7 . 1 1 105 105 GLU CA C 105 55.976 55.976 58.824 -2.848 19431 2904 1 7 . 1 1 105 105 GLU CB C 105 27.111 27.111 29.803 -2.692 19431 2905 1 7 . 1 1 106 106 ASP N N 106 119.038 119.038 117.624 1.414 19431 2906 1 7 . 1 1 107 107 MET N N 107 111.995 111.995 114.172 -2.177 19431 2907 1 7 . 1 1 107 107 MET HA H 107 4.343 4.343 3.880 0.463 19431 2908 1 7 . 1 1 107 107 MET CA C 107 51.671 51.671 55.529 -3.858 19431 2909 1 7 . 1 1 107 107 MET CB C 107 21.629 21.629 30.407 -8.777 19431 2910 1 7 . 1 1 108 108 ASN N N 108 117.079 117.079 116.670 0.409 19431 2911 1 7 . 1 1 108 108 ASN HA H 108 5.111 5.111 4.988 0.123 19431 2912 1 7 . 1 1 108 108 ASN CA C 108 49.519 49.519 52.335 -2.816 19431 2913 1 7 . 1 1 108 108 ASN CB C 108 37.221 37.221 39.620 -2.399 19431 2914 1 7 . 1 1 109 109 LEU N N 109 122.211 122.211 124.722 -2.511 19431 2915 1 7 . 1 1 109 109 LEU HA H 109 4.020 4.020 4.184 -0.164 19431 2916 1 7 . 1 1 109 109 LEU CA C 109 52.898 52.898 55.603 -2.705 19431 2917 1 7 . 1 1 109 109 LEU CB C 109 40.774 40.774 40.329 0.445 19431 2918 1 7 . 1 1 110 110 VAL N N 110 109.806 109.806 128.166 -18.360 19431 2919 1 7 . 1 1 110 110 VAL HA H 110 4.551 4.551 4.164 0.387 19431 2920 1 7 . 1 1 110 110 VAL CA C 110 57.276 57.276 62.876 -5.600 19431 2921 1 7 . 1 1 110 110 VAL CB C 110 30.242 30.242 32.802 -2.560 19431 2922 1 7 . 1 1 111 111 SER N N 111 113.487 113.487 115.129 -1.642 19431 2923 1 7 . 1 1 111 111 SER HA H 111 4.476 4.476 4.719 -0.243 19431 2924 1 7 . 1 1 111 111 SER CA C 111 55.637 55.637 58.591 -2.954 19431 2925 1 7 . 1 1 111 111 SER CB C 111 61.288 61.288 64.243 -2.955 19431 2926 1 7 . 1 1 112 112 PHE N N 112 126.988 126.988 127.378 -0.390 19431 2927 1 7 . 1 1 112 112 PHE HA H 112 4.991 4.991 4.604 0.387 19431 2928 1 7 . 1 1 112 112 PHE CA C 112 55.305 55.305 58.007 -2.702 19431 2929 1 7 . 1 1 112 112 PHE CB C 112 40.128 40.128 39.754 0.374 19431 2930 1 7 . 1 1 113 113 THR N N 113 120.333 120.333 119.734 0.599 19431 2931 1 7 . 1 1 113 113 THR HA H 113 4.775 4.775 4.560 0.215 19431 2932 1 7 . 1 1 113 113 THR CA C 113 57.888 57.888 59.815 -1.927 19431 2933 1 7 . 1 1 113 113 THR CB C 113 69.193 69.193 71.250 -2.057 19431 2934 1 8 . 1 1 2 2 GLU HA H 2 4.446 4.446 4.510 -0.064 19431 2935 1 8 . 1 1 2 2 GLU CA C 2 53.359 53.359 55.461 -2.102 19431 2936 1 8 . 1 1 2 2 GLU CB C 2 29.108 29.108 31.244 -2.136 19431 2937 1 8 . 1 1 3 3 ILE N N 3 123.144 123.144 122.308 0.836 19431 2938 1 8 . 1 1 3 3 ILE HA H 3 4.358 4.358 4.375 -0.017 19431 2939 1 8 . 1 1 3 3 ILE CA C 3 57.727 57.727 59.213 -1.486 19431 2940 1 8 . 1 1 3 3 ILE CB C 3 35.665 35.665 36.589 -0.924 19431 2941 1 8 . 1 1 4 4 LEU N N 4 127.461 127.461 126.428 1.033 19431 2942 1 8 . 1 1 4 4 LEU HA H 4 4.554 4.554 4.676 -0.122 19431 2943 1 8 . 1 1 4 4 LEU CA C 4 51.011 51.011 53.399 -2.388 19431 2944 1 8 . 1 1 4 4 LEU CB C 4 41.209 41.209 42.865 -1.656 19431 2945 1 8 . 1 1 5 5 LYS N N 5 121.611 121.611 117.238 4.373 19431 2946 1 8 . 1 1 5 5 LYS HA H 5 4.436 4.436 4.236 0.200 19431 2947 1 8 . 1 1 5 5 LYS CA C 5 53.150 53.150 56.787 -3.637 19431 2948 1 8 . 1 1 5 5 LYS CB C 5 29.359 29.359 31.217 -1.858 19431 2949 1 8 . 1 1 6 6 GLU N N 6 115.825 115.825 115.293 0.532 19431 2950 1 8 . 1 1 6 6 GLU HA H 6 4.269 4.269 4.614 -0.345 19431 2951 1 8 . 1 1 6 6 GLU CA C 6 51.331 51.331 54.819 -3.488 19431 2952 1 8 . 1 1 6 6 GLU CB C 6 29.583 29.583 31.820 -2.237 19431 2953 1 8 . 1 1 7 7 LEU N N 7 118.967 118.967 122.194 -3.227 19431 2954 1 8 . 1 1 7 7 LEU HA H 7 4.311 4.311 4.690 -0.379 19431 2955 1 8 . 1 1 7 7 LEU CA C 7 50.182 50.182 52.947 -2.765 19431 2956 1 8 . 1 1 7 7 LEU CB C 7 39.422 39.422 41.529 -2.107 19431 2957 1 8 . 1 1 8 8 PRO HA H 8 4.432 4.432 4.576 -0.144 19431 2958 1 8 . 1 1 8 8 PRO CA C 8 59.119 59.119 61.876 -2.757 19431 2959 1 8 . 1 1 8 8 PRO CB C 8 29.306 29.306 32.606 -3.300 19431 2960 1 8 . 1 1 9 9 GLU N N 9 121.059 121.059 118.420 2.639 19431 2961 1 8 . 1 1 9 9 GLU HA H 9 4.033 4.033 4.062 -0.029 19431 2962 1 8 . 1 1 9 9 GLU CA C 9 55.281 55.281 58.339 -3.058 19431 2963 1 8 . 1 1 9 9 GLU CB C 9 26.864 26.864 29.323 -2.459 19431 2964 1 8 . 1 1 10 10 GLY N N 10 112.279 112.279 111.319 0.960 19431 2965 1 8 . 1 1 10 10 GLY CA C 10 42.029 42.029 44.386 -2.357 19431 2966 1 8 . 1 1 11 11 PHE N N 11 117.612 117.612 118.589 -0.977 19431 2967 1 8 . 1 1 11 11 PHE HA H 11 4.660 4.660 4.930 -0.270 19431 2968 1 8 . 1 1 11 11 PHE CA C 11 54.280 54.280 56.200 -1.920 19431 2969 1 8 . 1 1 11 11 PHE CB C 11 39.721 39.721 40.960 -1.239 19431 2970 1 8 . 1 1 12 12 ASP N N 12 121.568 121.568 121.760 -0.192 19431 2971 1 8 . 1 1 12 12 ASP HA H 12 4.875 4.875 4.821 0.054 19431 2972 1 8 . 1 1 12 12 ASP CA C 12 49.676 49.676 53.105 -3.429 19431 2973 1 8 . 1 1 12 12 ASP CB C 12 42.307 42.307 43.137 -0.830 19431 2974 1 8 . 1 1 13 13 LYS N N 13 125.770 125.770 125.208 0.562 19431 2975 1 8 . 1 1 13 13 LYS HA H 13 3.294 3.294 3.407 -0.113 19431 2976 1 8 . 1 1 13 13 LYS CA C 13 58.046 58.046 59.737 -1.691 19431 2977 1 8 . 1 1 13 13 LYS CB C 13 30.216 30.216 32.294 -2.078 19431 2978 1 8 . 1 1 14 14 GLU N N 14 118.590 118.590 118.211 0.379 19431 2979 1 8 . 1 1 14 14 GLU HA H 14 4.090 4.090 4.190 -0.100 19431 2980 1 8 . 1 1 14 14 GLU CA C 14 56.364 56.364 59.331 -2.967 19431 2981 1 8 . 1 1 14 14 GLU CB C 14 26.479 26.479 29.713 -3.234 19431 2982 1 8 . 1 1 15 15 THR N N 15 118.372 118.372 117.879 0.493 19431 2983 1 8 . 1 1 15 15 THR HA H 15 3.737 3.737 4.086 -0.349 19431 2984 1 8 . 1 1 15 15 THR CA C 15 63.974 63.974 66.837 -2.863 19431 2985 1 8 . 1 1 15 15 THR CB C 15 65.565 65.565 68.687 -3.122 19431 2986 1 8 . 1 1 16 16 VAL N N 16 121.083 121.083 121.644 -0.561 19431 2987 1 8 . 1 1 16 16 VAL HA H 16 3.329 3.329 4.138 -0.809 19431 2988 1 8 . 1 1 16 16 VAL CA C 16 64.214 64.214 65.975 -1.761 19431 2989 1 8 . 1 1 16 16 VAL CB C 16 29.011 29.011 31.150 -2.139 19431 2990 1 8 . 1 1 17 17 ARG N N 17 119.409 119.409 120.367 -0.958 19431 2991 1 8 . 1 1 17 17 ARG HA H 17 3.737 3.737 4.067 -0.330 19431 2992 1 8 . 1 1 17 17 ARG CA C 17 58.049 58.049 59.731 -1.682 19431 2993 1 8 . 1 1 17 17 ARG CB C 17 27.401 27.401 30.182 -2.781 19431 2994 1 8 . 1 1 18 18 LYS N N 18 116.168 116.168 120.057 -3.889 19431 2995 1 8 . 1 1 18 18 LYS HA H 18 3.800 3.800 3.998 -0.198 19431 2996 1 8 . 1 1 18 18 LYS CA C 18 57.031 57.031 59.182 -2.151 19431 2997 1 8 . 1 1 18 18 LYS CB C 18 29.801 29.801 31.834 -2.033 19431 2998 1 8 . 1 1 19 19 GLN N N 19 120.008 120.008 117.834 2.174 19431 2999 1 8 . 1 1 19 19 GLN HA H 19 3.767 3.767 4.311 -0.544 19431 3000 1 8 . 1 1 19 19 GLN CA C 19 54.492 54.492 58.942 -4.450 19431 3001 1 8 . 1 1 19 19 GLN CB C 19 26.490 26.490 28.283 -1.793 19431 3002 1 8 . 1 1 20 20 ALA N N 20 122.405 122.405 121.604 0.801 19431 3003 1 8 . 1 1 20 20 ALA HA H 20 4.404 4.404 4.215 0.189 19431 3004 1 8 . 1 1 20 20 ALA CA C 20 52.036 52.036 54.722 -2.686 19431 3005 1 8 . 1 1 20 20 ALA CB C 20 16.407 16.407 18.144 -1.737 19431 3006 1 8 . 1 1 21 21 MET N N 21 115.042 115.042 118.403 -3.361 19431 3007 1 8 . 1 1 21 21 MET HA H 21 3.354 3.354 3.720 -0.366 19431 3008 1 8 . 1 1 21 21 MET CA C 21 56.861 56.861 59.712 -2.850 19431 3009 1 8 . 1 1 21 21 MET CB C 21 30.538 30.538 32.313 -1.775 19431 3010 1 8 . 1 1 22 22 GLU N N 22 118.882 118.882 119.912 -1.030 19431 3011 1 8 . 1 1 22 22 GLU HA H 22 3.923 3.923 3.963 -0.040 19431 3012 1 8 . 1 1 22 22 GLU CA C 22 56.675 56.675 59.413 -2.738 19431 3013 1 8 . 1 1 22 22 GLU CB C 22 26.613 26.613 29.446 -2.833 19431 3014 1 8 . 1 1 23 23 ASP N N 23 122.549 122.549 119.800 2.749 19431 3015 1 8 . 1 1 23 23 ASP HA H 23 4.658 4.658 4.501 0.157 19431 3016 1 8 . 1 1 23 23 ASP CA C 23 55.053 55.053 57.270 -2.217 19431 3017 1 8 . 1 1 23 23 ASP CB C 23 37.479 37.479 40.380 -2.901 19431 3018 1 8 . 1 1 24 24 ILE N N 24 123.580 123.580 119.734 3.846 19431 3019 1 8 . 1 1 24 24 ILE HA H 24 3.678 3.678 3.443 0.235 19431 3020 1 8 . 1 1 24 24 ILE CA C 24 63.201 63.201 65.663 -2.462 19431 3021 1 8 . 1 1 24 24 ILE CB C 24 35.138 35.138 37.824 -2.686 19431 3022 1 8 . 1 1 25 25 GLU N N 25 120.591 120.591 119.271 1.320 19431 3023 1 8 . 1 1 25 25 GLU HA H 25 3.885 3.885 4.011 -0.126 19431 3024 1 8 . 1 1 25 25 GLU CA C 25 57.824 57.824 59.155 -1.331 19431 3025 1 8 . 1 1 25 25 GLU CB C 25 25.883 25.883 29.204 -3.321 19431 3026 1 8 . 1 1 26 26 ILE N N 26 121.350 121.350 119.128 2.222 19431 3027 1 8 . 1 1 26 26 ILE HA H 26 3.718 3.718 3.875 -0.157 19431 3028 1 8 . 1 1 26 26 ILE CA C 26 62.881 62.881 63.434 -0.554 19431 3029 1 8 . 1 1 26 26 ILE CB C 26 35.324 35.324 36.581 -1.258 19431 3030 1 8 . 1 1 27 27 ALA N N 27 120.204 120.204 121.788 -1.584 19431 3031 1 8 . 1 1 28 28 GLN N N 28 114.627 114.627 117.967 -3.340 19431 3032 1 8 . 1 1 28 28 GLN CB C 28 26.380 26.380 28.800 -2.420 19431 3033 1 8 . 1 1 29 29 SER N N 29 115.031 115.031 113.094 1.937 19431 3034 1 8 . 1 1 29 29 SER HA H 29 4.260 4.260 4.568 -0.308 19431 3035 1 8 . 1 1 29 29 SER CA C 29 57.768 57.768 57.871 -0.103 19431 3036 1 8 . 1 1 29 29 SER CB C 29 61.367 61.367 63.313 -1.946 19431 3037 1 8 . 1 1 30 30 LYS N N 30 112.834 112.834 117.415 -4.581 19431 3038 1 8 . 1 1 30 30 LYS HA H 30 4.228 4.228 3.916 0.312 19431 3039 1 8 . 1 1 30 30 LYS CA C 30 56.103 56.103 57.375 -1.272 19431 3040 1 8 . 1 1 30 30 LYS CB C 30 26.478 26.478 29.628 -3.150 19431 3041 1 8 . 1 1 31 31 ASP N N 31 121.067 121.067 119.211 1.856 19431 3042 1 8 . 1 1 31 31 ASP HA H 31 4.877 4.877 4.329 0.548 19431 3043 1 8 . 1 1 31 31 ASP CA C 31 49.742 49.742 54.603 -4.861 19431 3044 1 8 . 1 1 31 31 ASP CB C 31 38.652 38.652 41.843 -3.191 19431 3045 1 8 . 1 1 32 32 TYR N N 32 126.671 126.671 122.916 3.755 19431 3046 1 8 . 1 1 32 32 TYR HA H 32 3.311 3.311 3.725 -0.414 19431 3047 1 8 . 1 1 32 32 TYR CA C 32 57.951 57.951 59.666 -1.715 19431 3048 1 8 . 1 1 32 32 TYR CB C 32 36.158 36.158 38.095 -1.937 19431 3049 1 8 . 1 1 33 33 GLU N N 33 115.884 115.884 120.304 -4.420 19431 3050 1 8 . 1 1 33 33 GLU HA H 33 3.442 3.442 4.068 -0.626 19431 3051 1 8 . 1 1 33 33 GLU CA C 33 56.757 56.757 60.028 -3.271 19431 3052 1 8 . 1 1 33 33 GLU CB C 33 26.095 26.095 29.100 -3.005 19431 3053 1 8 . 1 1 34 34 SER N N 34 116.060 116.060 114.561 1.499 19431 3054 1 8 . 1 1 34 34 SER HA H 34 4.026 4.026 4.236 -0.210 19431 3055 1 8 . 1 1 34 34 SER CA C 34 58.953 58.953 61.254 -2.301 19431 3056 1 8 . 1 1 34 34 SER CB C 34 59.683 59.683 63.039 -3.356 19431 3057 1 8 . 1 1 35 35 TRP N N 35 123.977 123.977 122.331 1.646 19431 3058 1 8 . 1 1 35 35 TRP CA C 35 57.894 57.894 59.034 -1.140 19431 3059 1 8 . 1 1 35 35 TRP CB C 35 25.531 25.531 29.515 -3.984 19431 3060 1 8 . 1 1 36 36 LYS N N 36 117.633 117.633 120.783 -3.150 19431 3061 1 8 . 1 1 36 36 LYS HA H 36 3.128 3.128 3.931 -0.803 19431 3062 1 8 . 1 1 36 36 LYS CA C 36 55.998 55.998 60.021 -4.023 19431 3063 1 8 . 1 1 36 36 LYS CB C 36 29.304 29.304 32.362 -3.058 19431 3064 1 8 . 1 1 37 37 SER N N 37 109.835 109.835 112.610 -2.775 19431 3065 1 8 . 1 1 37 37 SER HA H 37 3.989 3.989 4.314 -0.325 19431 3066 1 8 . 1 1 37 37 SER CA C 37 57.765 57.765 60.348 -2.583 19431 3067 1 8 . 1 1 37 37 SER CB C 37 60.606 60.606 62.905 -2.299 19431 3068 1 8 . 1 1 38 38 ARG N N 38 119.946 119.946 120.028 -0.082 19431 3069 1 8 . 1 1 38 38 ARG HA H 38 4.144 4.144 4.148 -0.004 19431 3070 1 8 . 1 1 38 38 ARG CA C 38 51.208 51.208 57.055 -5.847 19431 3071 1 8 . 1 1 38 38 ARG CB C 38 25.717 25.717 30.457 -4.740 19431 3072 1 8 . 1 1 39 39 PHE N N 39 117.529 117.529 116.712 0.817 19431 3073 1 8 . 1 1 39 39 PHE HA H 39 4.855 4.855 4.939 -0.084 19431 3074 1 8 . 1 1 39 39 PHE CA C 39 54.234 54.234 58.159 -3.925 19431 3075 1 8 . 1 1 39 39 PHE CB C 39 37.547 37.547 40.092 -2.545 19431 3076 1 8 . 1 1 40 40 THR N N 40 113.296 113.296 113.040 0.256 19431 3077 1 8 . 1 1 40 40 THR HA H 40 3.991 3.991 4.294 -0.303 19431 3078 1 8 . 1 1 40 40 THR CA C 40 59.704 59.704 61.055 -1.351 19431 3079 1 8 . 1 1 40 40 THR CB C 40 66.175 66.175 70.373 -4.198 19431 3080 1 8 . 1 1 41 41 LYS N N 41 124.924 124.924 120.421 4.503 19431 3081 1 8 . 1 1 41 41 LYS HA H 41 3.713 3.713 4.051 -0.338 19431 3082 1 8 . 1 1 41 41 LYS CA C 41 57.650 57.650 59.391 -1.741 19431 3083 1 8 . 1 1 41 41 LYS CB C 41 29.363 29.363 31.892 -2.529 19431 3084 1 8 . 1 1 42 42 ASP N N 42 116.255 116.255 120.331 -4.076 19431 3085 1 8 . 1 1 42 42 ASP HA H 42 4.343 4.343 4.536 -0.193 19431 3086 1 8 . 1 1 42 42 ASP CA C 42 53.841 53.841 56.748 -2.907 19431 3087 1 8 . 1 1 42 42 ASP CB C 42 37.703 37.703 41.103 -3.400 19431 3088 1 8 . 1 1 43 43 LEU N N 43 119.134 119.134 120.761 -1.627 19431 3089 1 8 . 1 1 43 43 LEU HA H 43 4.320 4.320 3.969 0.351 19431 3090 1 8 . 1 1 43 43 LEU CA C 43 52.423 52.423 57.251 -4.828 19431 3091 1 8 . 1 1 43 43 LEU CB C 43 40.023 40.023 41.982 -1.959 19431 3092 1 8 . 1 1 44 44 GLN N N 44 119.455 119.455 116.080 3.375 19431 3093 1 8 . 1 1 44 44 GLN HA H 44 3.466 3.466 3.936 -0.470 19431 3094 1 8 . 1 1 44 44 GLN CA C 44 57.437 57.437 58.556 -1.119 19431 3095 1 8 . 1 1 44 44 GLN CB C 44 25.394 25.394 28.765 -3.371 19431 3096 1 8 . 1 1 45 45 SER N N 45 110.605 110.605 111.737 -1.132 19431 3097 1 8 . 1 1 45 45 SER HA H 45 4.211 4.211 4.507 -0.296 19431 3098 1 8 . 1 1 45 45 SER CA C 45 57.621 57.621 58.895 -1.274 19431 3099 1 8 . 1 1 45 45 SER CB C 45 60.094 60.094 63.861 -3.767 19431 3100 1 8 . 1 1 46 46 SER N N 46 115.075 115.075 116.025 -0.950 19431 3101 1 8 . 1 1 46 46 SER HA H 46 4.473 4.473 4.509 -0.036 19431 3102 1 8 . 1 1 46 46 SER CA C 46 55.739 55.739 58.475 -2.736 19431 3103 1 8 . 1 1 46 46 SER CB C 46 61.628 61.628 63.933 -2.305 19431 3104 1 8 . 1 1 47 47 LEU N N 47 124.984 124.984 122.226 2.758 19431 3105 1 8 . 1 1 47 47 LEU HA H 47 4.334 4.334 4.193 0.141 19431 3106 1 8 . 1 1 47 47 LEU CA C 47 52.040 52.040 54.602 -2.562 19431 3107 1 8 . 1 1 47 47 LEU CB C 47 39.810 39.810 42.606 -2.796 19431 3108 1 8 . 1 1 48 48 THR N N 48 111.152 111.152 111.922 -0.770 19431 3109 1 8 . 1 1 48 48 THR HA H 48 4.665 4.665 4.527 0.138 19431 3110 1 8 . 1 1 48 48 THR CA C 48 56.718 56.718 60.861 -4.143 19431 3111 1 8 . 1 1 48 48 THR CB C 48 69.103 69.103 70.356 -1.253 19431 3112 1 8 . 1 1 49 49 GLU N N 49 124.552 124.552 125.159 -0.607 19431 3113 1 8 . 1 1 49 49 GLU HA H 49 3.194 3.194 4.393 -1.199 19431 3114 1 8 . 1 1 49 49 GLU CA C 49 56.770 56.770 58.865 -2.095 19431 3115 1 8 . 1 1 49 49 GLU CB C 49 26.148 26.148 29.971 -3.823 19431 3116 1 8 . 1 1 50 50 GLU N N 50 118.615 118.615 119.439 -0.824 19431 3117 1 8 . 1 1 50 50 GLU HA H 50 4.000 4.000 4.151 -0.151 19431 3118 1 8 . 1 1 50 50 GLU CA C 50 57.357 57.357 58.810 -1.453 19431 3119 1 8 . 1 1 50 50 GLU CB C 50 26.511 26.511 29.341 -2.830 19431 3120 1 8 . 1 1 51 51 SER N N 51 116.380 116.380 114.154 2.226 19431 3121 1 8 . 1 1 51 51 SER HA H 51 4.256 4.256 4.283 -0.027 19431 3122 1 8 . 1 1 51 51 SER CA C 51 58.825 58.825 60.464 -1.639 19431 3123 1 8 . 1 1 51 51 SER CB C 51 59.884 59.884 63.283 -3.399 19431 3124 1 8 . 1 1 52 52 TYR N N 52 125.611 125.611 117.491 8.120 19431 3125 1 8 . 1 1 52 52 TYR CB C 52 36.647 36.647 38.240 -1.593 19431 3126 1 8 . 1 1 53 53 ASP N N 53 119.653 119.653 119.848 -0.195 19431 3127 1 8 . 1 1 53 53 ASP HA H 53 4.115 4.115 4.660 -0.545 19431 3128 1 8 . 1 1 53 53 ASP CA C 53 54.553 54.553 55.200 -0.647 19431 3129 1 8 . 1 1 53 53 ASP CB C 53 37.477 37.477 41.839 -4.362 19431 3130 1 8 . 1 1 54 54 SER N N 54 114.883 114.883 117.063 -2.180 19431 3131 1 8 . 1 1 54 54 SER HA H 54 3.946 3.946 4.180 -0.234 19431 3132 1 8 . 1 1 54 54 SER CA C 54 59.741 59.741 61.596 -1.855 19431 3133 1 8 . 1 1 54 54 SER CB C 54 59.750 59.750 63.556 -3.807 19431 3134 1 8 . 1 1 55 55 TYR N N 55 123.933 123.933 122.219 1.714 19431 3135 1 8 . 1 1 55 55 TYR HA H 55 4.361 4.361 4.209 0.152 19431 3136 1 8 . 1 1 55 55 TYR CA C 55 57.213 57.213 61.593 -4.380 19431 3137 1 8 . 1 1 55 55 TYR CB C 55 34.024 34.024 38.368 -4.344 19431 3138 1 8 . 1 1 56 56 LEU N N 56 119.758 119.758 118.153 1.605 19431 3139 1 8 . 1 1 56 56 LEU HA H 56 3.252 3.252 3.714 -0.462 19431 3140 1 8 . 1 1 56 56 LEU CA C 56 54.681 54.681 57.402 -2.721 19431 3141 1 8 . 1 1 56 56 LEU CB C 56 38.151 38.151 41.513 -3.362 19431 3142 1 8 . 1 1 57 57 LYS N N 57 118.487 118.487 119.417 -0.930 19431 3143 1 8 . 1 1 57 57 LYS HA H 57 3.852 3.852 3.973 -0.121 19431 3144 1 8 . 1 1 57 57 LYS CA C 57 56.090 56.090 59.330 -3.240 19431 3145 1 8 . 1 1 57 57 LYS CB C 57 29.683 29.683 32.258 -2.575 19431 3146 1 8 . 1 1 58 58 ILE N N 58 120.887 120.887 119.977 0.910 19431 3147 1 8 . 1 1 58 58 ILE HA H 58 3.591 3.591 3.624 -0.033 19431 3148 1 8 . 1 1 58 58 ILE CA C 58 61.366 61.366 64.978 -3.612 19431 3149 1 8 . 1 1 58 58 ILE CB C 58 35.144 35.144 37.714 -2.570 19431 3150 1 8 . 1 1 59 59 LEU N N 59 122.273 122.273 120.291 1.982 19431 3151 1 8 . 1 1 59 59 LEU HA H 59 3.437 3.437 3.573 -0.136 19431 3152 1 8 . 1 1 59 59 LEU CA C 59 54.847 54.847 58.039 -3.192 19431 3153 1 8 . 1 1 59 59 LEU CB C 59 39.071 39.071 41.295 -2.224 19431 3154 1 8 . 1 1 60 60 GLU N N 60 118.591 118.591 118.608 -0.017 19431 3155 1 8 . 1 1 60 60 GLU HA H 60 3.810 3.810 3.964 -0.154 19431 3156 1 8 . 1 1 60 60 GLU CA C 60 56.156 56.156 59.198 -3.042 19431 3157 1 8 . 1 1 60 60 GLU CB C 60 26.820 26.820 29.541 -2.721 19431 3158 1 8 . 1 1 61 61 LYS N N 61 115.698 115.698 117.226 -1.528 19431 3159 1 8 . 1 1 61 61 LYS HA H 61 4.029 4.029 4.405 -0.376 19431 3160 1 8 . 1 1 61 61 LYS CA C 61 54.164 54.164 56.514 -2.350 19431 3161 1 8 . 1 1 61 61 LYS CB C 61 29.581 29.581 32.491 -2.910 19431 3162 1 8 . 1 1 62 62 GLN N N 62 114.863 114.863 117.845 -2.982 19431 3163 1 8 . 1 1 62 62 GLN HA H 62 3.851 3.851 4.315 -0.464 19431 3164 1 8 . 1 1 62 62 GLN CA C 62 52.258 52.258 54.871 -2.613 19431 3165 1 8 . 1 1 62 62 GLN CB C 62 25.186 25.186 28.884 -3.698 19431 3166 1 8 . 1 1 63 63 GLY N N 63 101.724 101.724 108.041 -6.317 19431 3167 1 8 . 1 1 63 63 GLY CA C 63 41.815 41.815 44.767 -2.952 19431 3168 1 8 . 1 1 64 64 GLU N N 64 118.731 118.731 119.888 -1.157 19431 3169 1 8 . 1 1 64 64 GLU HA H 64 4.137 4.137 4.844 -0.707 19431 3170 1 8 . 1 1 64 64 GLU CA C 64 54.598 54.598 53.925 0.673 19431 3171 1 8 . 1 1 64 64 GLU CB C 64 28.312 28.312 33.008 -4.696 19431 3172 1 8 . 1 1 65 65 PHE N N 65 123.366 123.366 123.092 0.274 19431 3173 1 8 . 1 1 65 65 PHE HA H 65 3.825 3.825 3.703 0.122 19431 3174 1 8 . 1 1 65 65 PHE CA C 65 57.419 57.419 59.162 -1.743 19431 3175 1 8 . 1 1 65 65 PHE CB C 65 36.666 36.666 39.133 -2.467 19431 3176 1 8 . 1 1 66 66 LYS N N 66 125.336 125.336 126.766 -1.430 19431 3177 1 8 . 1 1 66 66 LYS HA H 66 4.168 4.168 3.974 0.194 19431 3178 1 8 . 1 1 66 66 LYS CA C 66 53.226 53.226 56.688 -3.462 19431 3179 1 8 . 1 1 66 66 LYS CB C 66 30.293 30.293 34.356 -4.063 19431 3180 1 8 . 1 1 67 67 GLU N N 67 112.076 112.076 115.056 -2.980 19431 3181 1 8 . 1 1 67 67 GLU HA H 67 4.069 4.069 4.010 0.059 19431 3182 1 8 . 1 1 67 67 GLU CA C 67 52.907 52.907 55.069 -2.162 19431 3183 1 8 . 1 1 67 67 GLU CB C 67 29.378 29.378 31.595 -2.217 19431 3184 1 8 . 1 1 68 68 PHE N N 68 118.706 118.706 117.038 1.668 19431 3185 1 8 . 1 1 68 68 PHE CB C 68 38.408 38.408 42.322 -3.914 19431 3186 1 8 . 1 1 69 69 GLY N N 69 112.889 112.889 109.672 3.217 19431 3187 1 8 . 1 1 69 69 GLY CA C 69 41.353 41.353 44.928 -3.575 19431 3188 1 8 . 1 1 70 70 LYS N N 70 122.409 122.409 117.996 4.413 19431 3189 1 8 . 1 1 70 70 LYS HA H 70 4.085 4.085 4.655 -0.570 19431 3190 1 8 . 1 1 70 70 LYS CA C 70 54.418 54.418 55.241 -0.823 19431 3191 1 8 . 1 1 70 70 LYS CB C 70 31.197 31.197 36.323 -5.126 19431 3192 1 8 . 1 1 71 71 CYS N N 71 118.509 118.509 119.186 -0.677 19431 3193 1 8 . 1 1 71 71 CYS HA H 71 5.332 5.332 5.257 0.075 19431 3194 1 8 . 1 1 71 71 CYS CA C 71 54.655 54.655 56.852 -2.197 19431 3195 1 8 . 1 1 71 71 CYS CB C 71 28.223 28.223 28.451 -0.228 19431 3196 1 8 . 1 1 72 72 THR N N 72 120.129 120.129 121.710 -1.581 19431 3197 1 8 . 1 1 72 72 THR HA H 72 4.272 4.272 4.376 -0.104 19431 3198 1 8 . 1 1 72 72 THR CA C 72 58.652 58.652 62.192 -3.540 19431 3199 1 8 . 1 1 72 72 THR CB C 72 68.199 68.199 69.783 -1.584 19431 3200 1 8 . 1 1 73 73 TYR N N 73 122.772 122.772 124.025 -1.253 19431 3201 1 8 . 1 1 73 73 TYR HA H 73 5.034 5.034 5.359 -0.326 19431 3202 1 8 . 1 1 73 73 TYR CA C 73 55.497 55.497 56.740 -1.243 19431 3203 1 8 . 1 1 73 73 TYR CB C 73 38.271 38.271 41.008 -2.737 19431 3204 1 8 . 1 1 74 74 LEU N N 74 117.980 117.980 117.682 0.298 19431 3205 1 8 . 1 1 74 74 LEU HA H 74 4.466 4.466 5.141 -0.675 19431 3206 1 8 . 1 1 74 74 LEU CA C 74 51.805 51.805 53.368 -1.563 19431 3207 1 8 . 1 1 74 74 LEU CB C 74 42.030 42.030 45.727 -3.697 19431 3208 1 8 . 1 1 75 75 GLY N N 75 105.257 105.257 105.739 -0.482 19431 3209 1 8 . 1 1 75 75 GLY CA C 75 42.799 42.799 43.997 -1.198 19431 3210 1 8 . 1 1 76 76 GLN N N 76 119.071 119.071 117.847 1.224 19431 3211 1 8 . 1 1 76 76 GLN HA H 76 4.938 4.938 4.865 0.073 19431 3212 1 8 . 1 1 76 76 GLN CA C 76 52.495 52.495 55.119 -2.624 19431 3213 1 8 . 1 1 76 76 GLN CB C 76 30.498 30.498 33.914 -3.416 19431 3214 1 8 . 1 1 77 77 ILE N N 77 123.550 123.550 122.889 0.661 19431 3215 1 8 . 1 1 77 77 ILE HA H 77 4.992 4.992 5.041 -0.049 19431 3216 1 8 . 1 1 77 77 ILE CA C 77 57.239 57.239 60.136 -2.897 19431 3217 1 8 . 1 1 77 77 ILE CB C 77 36.664 36.664 39.467 -2.803 19431 3218 1 8 . 1 1 78 78 LYS N N 78 127.532 127.532 128.847 -1.315 19431 3219 1 8 . 1 1 78 78 LYS HA H 78 4.585 4.585 4.102 0.483 19431 3220 1 8 . 1 1 78 78 LYS CA C 78 52.768 52.768 58.790 -6.022 19431 3221 1 8 . 1 1 78 78 LYS CB C 78 32.536 32.536 33.514 -0.978 19431 3222 1 8 . 1 1 79 79 ASP N N 79 128.019 128.019 113.666 14.353 19431 3223 1 8 . 1 1 79 79 ASP HA H 79 4.168 4.168 4.665 -0.497 19431 3224 1 8 . 1 1 79 79 ASP CA C 79 53.258 53.258 54.824 -1.566 19431 3225 1 8 . 1 1 79 79 ASP CB C 79 36.826 36.826 41.385 -4.559 19431 3226 1 8 . 1 1 80 80 ASN N N 80 110.608 110.608 117.145 -6.537 19431 3227 1 8 . 1 1 80 80 ASN HA H 80 4.168 4.168 4.763 -0.595 19431 3228 1 8 . 1 1 80 80 ASN CA C 80 51.912 51.912 53.178 -1.266 19431 3229 1 8 . 1 1 80 80 ASN CB C 80 35.506 35.506 40.120 -4.614 19431 3230 1 8 . 1 1 81 81 LYS N N 81 121.116 121.116 121.930 -0.814 19431 3231 1 8 . 1 1 81 81 LYS HA H 81 4.482 4.482 4.614 -0.132 19431 3232 1 8 . 1 1 81 81 LYS CA C 81 52.353 52.353 54.595 -2.242 19431 3233 1 8 . 1 1 81 81 LYS CB C 81 32.119 32.119 34.320 -2.201 19431 3234 1 8 . 1 1 82 82 LYS N N 82 119.259 119.259 123.338 -4.079 19431 3235 1 8 . 1 1 82 82 LYS HA H 82 4.765 4.765 5.423 -0.658 19431 3236 1 8 . 1 1 82 82 LYS CA C 82 52.722 52.722 55.204 -2.482 19431 3237 1 8 . 1 1 82 82 LYS CB C 82 32.934 32.934 35.730 -2.796 19431 3238 1 8 . 1 1 83 83 TYR N N 83 118.176 118.176 119.754 -1.578 19431 3239 1 8 . 1 1 83 83 TYR HA H 83 5.275 5.275 5.093 0.182 19431 3240 1 8 . 1 1 83 83 TYR CA C 83 53.383 53.383 56.764 -3.381 19431 3241 1 8 . 1 1 83 83 TYR CB C 83 38.026 38.026 42.586 -4.560 19431 3242 1 8 . 1 1 84 84 GLY N N 84 111.686 111.686 109.248 2.438 19431 3243 1 8 . 1 1 84 84 GLY CA C 84 41.219 41.219 42.985 -1.766 19431 3244 1 8 . 1 1 85 85 GLY N N 85 111.232 111.232 111.330 -0.098 19431 3245 1 8 . 1 1 85 85 GLY CA C 85 42.272 42.272 43.253 -0.981 19431 3246 1 8 . 1 1 86 86 VAL N N 86 115.256 115.256 124.161 -8.905 19431 3247 1 8 . 1 1 86 86 VAL HA H 86 5.127 5.127 5.155 -0.028 19431 3248 1 8 . 1 1 86 86 VAL CA C 86 55.741 55.741 59.391 -3.650 19431 3249 1 8 . 1 1 86 86 VAL CB C 86 33.129 33.129 34.852 -1.723 19431 3250 1 8 . 1 1 87 87 ILE N N 87 125.124 125.124 131.219 -6.095 19431 3251 1 8 . 1 1 87 87 ILE HA H 87 5.206 5.206 4.748 0.458 19431 3252 1 8 . 1 1 87 87 ILE CA C 87 57.168 57.168 60.411 -3.243 19431 3253 1 8 . 1 1 87 87 ILE CB C 87 36.590 36.590 37.733 -1.143 19431 3254 1 8 . 1 1 88 88 ILE N N 88 128.056 128.056 128.731 -0.675 19431 3255 1 8 . 1 1 88 88 ILE HA H 88 5.146 5.146 4.988 0.158 19431 3256 1 8 . 1 1 88 88 ILE CA C 88 55.356 55.356 58.806 -3.450 19431 3257 1 8 . 1 1 88 88 ILE CB C 88 39.847 39.847 40.430 -0.583 19431 3258 1 8 . 1 1 89 89 VAL N N 89 128.326 128.326 129.303 -0.977 19431 3259 1 8 . 1 1 89 89 VAL HA H 89 4.387 4.387 4.774 -0.387 19431 3260 1 8 . 1 1 89 89 VAL CA C 89 59.839 59.839 61.240 -1.401 19431 3261 1 8 . 1 1 89 89 VAL CB C 89 30.295 30.295 33.522 -3.227 19431 3262 1 8 . 1 1 90 90 VAL N N 90 128.738 128.738 129.333 -0.595 19431 3263 1 8 . 1 1 90 90 VAL HA H 90 4.207 4.207 4.955 -0.748 19431 3264 1 8 . 1 1 90 90 VAL CA C 90 59.722 59.722 60.497 -0.775 19431 3265 1 8 . 1 1 90 90 VAL CB C 90 31.537 31.537 35.027 -3.490 19431 3266 1 8 . 1 1 91 91 LYS N N 91 126.004 126.004 129.932 -3.928 19431 3267 1 8 . 1 1 91 91 LYS HA H 91 4.629 4.629 4.644 -0.015 19431 3268 1 8 . 1 1 91 91 LYS CA C 91 52.972 52.972 55.777 -2.805 19431 3269 1 8 . 1 1 91 91 LYS CB C 91 30.789 30.789 31.988 -1.199 19431 3270 1 8 . 1 1 92 92 TYR N N 92 123.932 123.932 124.827 -0.895 19431 3271 1 8 . 1 1 92 92 TYR HA H 92 4.940 4.940 4.621 0.319 19431 3272 1 8 . 1 1 92 92 TYR CA C 92 53.905 53.905 58.393 -4.488 19431 3273 1 8 . 1 1 92 92 TYR CB C 92 39.331 39.331 39.810 -0.479 19431 3274 1 8 . 1 1 93 93 GLU N N 93 122.195 122.195 118.936 3.259 19431 3275 1 8 . 1 1 93 93 GLU HA H 93 3.834 3.834 4.114 -0.280 19431 3276 1 8 . 1 1 93 93 GLU CA C 93 57.465 57.465 59.106 -1.641 19431 3277 1 8 . 1 1 93 93 GLU CB C 93 28.695 28.695 30.102 -1.407 19431 3278 1 8 . 1 1 94 94 GLU N N 94 110.219 110.219 114.654 -4.435 19431 3279 1 8 . 1 1 94 94 GLU HA H 94 4.440 4.440 4.547 -0.107 19431 3280 1 8 . 1 1 94 94 GLU CA C 94 52.555 52.555 55.846 -3.291 19431 3281 1 8 . 1 1 94 94 GLU CB C 94 26.861 26.861 31.768 -4.907 19431 3282 1 8 . 1 1 95 95 GLY N N 95 106.566 106.566 108.713 -2.147 19431 3283 1 8 . 1 1 95 95 GLY CA C 95 42.542 42.542 44.622 -2.080 19431 3284 1 8 . 1 1 96 96 ASN N N 96 116.707 116.707 120.359 -3.652 19431 3285 1 8 . 1 1 96 96 ASN HA H 96 5.720 5.720 6.103 -0.383 19431 3286 1 8 . 1 1 96 96 ASN CA C 96 49.003 49.003 52.253 -3.250 19431 3287 1 8 . 1 1 96 96 ASN CB C 96 37.602 37.602 42.385 -4.783 19431 3288 1 8 . 1 1 97 97 VAL N N 97 122.002 122.002 122.726 -0.724 19431 3289 1 8 . 1 1 97 97 VAL HA H 97 4.117 4.117 4.213 -0.096 19431 3290 1 8 . 1 1 97 97 VAL CA C 97 58.404 58.404 60.967 -2.563 19431 3291 1 8 . 1 1 97 97 VAL CB C 97 33.456 33.456 33.152 0.304 19431 3292 1 8 . 1 1 98 98 ASN N N 98 124.376 124.376 126.942 -2.566 19431 3293 1 8 . 1 1 98 98 ASN HA H 98 5.135 5.135 4.936 0.199 19431 3294 1 8 . 1 1 98 98 ASN CA C 98 48.630 48.630 53.015 -4.385 19431 3295 1 8 . 1 1 98 98 ASN CB C 98 36.031 36.031 38.128 -2.097 19431 3296 1 8 . 1 1 99 99 TYR N N 99 123.932 123.932 124.818 -0.886 19431 3297 1 8 . 1 1 99 99 TYR HA H 99 4.640 4.640 4.762 -0.122 19431 3298 1 8 . 1 1 99 99 TYR CA C 99 55.468 55.468 58.520 -3.052 19431 3299 1 8 . 1 1 99 99 TYR CB C 99 38.122 38.122 38.679 -0.557 19431 3300 1 8 . 1 1 100 100 SER N N 100 115.327 115.327 119.274 -3.947 19431 3301 1 8 . 1 1 100 100 SER HA H 100 5.242 5.242 4.578 0.664 19431 3302 1 8 . 1 1 100 100 SER CA C 100 53.767 53.767 57.782 -4.015 19431 3303 1 8 . 1 1 100 100 SER CB C 100 60.649 60.649 62.199 -1.550 19431 3304 1 8 . 1 1 101 101 LEU N N 101 130.521 130.521 128.820 1.701 19431 3305 1 8 . 1 1 101 101 LEU HA H 101 4.978 4.978 5.146 -0.168 19431 3306 1 8 . 1 1 101 101 LEU CA C 101 51.756 51.756 53.820 -2.064 19431 3307 1 8 . 1 1 101 101 LEU CB C 101 42.765 42.765 43.328 -0.563 19431 3308 1 8 . 1 1 102 102 ALA N N 102 121.373 121.373 126.704 -5.331 19431 3309 1 8 . 1 1 102 102 ALA HA H 102 4.994 4.994 5.223 -0.229 19431 3310 1 8 . 1 1 102 102 ALA CA C 102 48.505 48.505 50.263 -1.758 19431 3311 1 8 . 1 1 102 102 ALA CB C 102 19.355 19.355 22.693 -3.338 19431 3312 1 8 . 1 1 103 103 TYR N N 103 120.633 120.633 119.490 1.143 19431 3313 1 8 . 1 1 103 103 TYR HA H 103 5.311 5.311 5.572 -0.261 19431 3314 1 8 . 1 1 103 103 TYR CA C 103 55.519 55.519 54.512 1.007 19431 3315 1 8 . 1 1 103 103 TYR CB C 103 42.037 42.037 40.894 1.143 19431 3316 1 8 . 1 1 104 104 ASP N N 104 118.129 118.129 118.795 -0.666 19431 3317 1 8 . 1 1 104 104 ASP HA H 104 5.163 5.163 4.651 0.512 19431 3318 1 8 . 1 1 104 104 ASP CA C 104 49.372 49.372 51.677 -2.305 19431 3319 1 8 . 1 1 104 104 ASP CB C 104 39.054 39.054 41.550 -2.496 19431 3320 1 8 . 1 1 105 105 GLU N N 105 115.031 115.031 118.506 -3.475 19431 3321 1 8 . 1 1 105 105 GLU HA H 105 3.624 3.624 4.131 -0.507 19431 3322 1 8 . 1 1 105 105 GLU CA C 105 55.976 55.976 59.466 -3.490 19431 3323 1 8 . 1 1 105 105 GLU CB C 105 27.111 27.111 29.601 -2.490 19431 3324 1 8 . 1 1 106 106 ASP N N 106 119.038 119.038 116.315 2.723 19431 3325 1 8 . 1 1 107 107 MET N N 107 111.995 111.995 117.785 -5.790 19431 3326 1 8 . 1 1 107 107 MET HA H 107 4.343 4.343 3.798 0.545 19431 3327 1 8 . 1 1 107 107 MET CA C 107 51.671 51.671 56.085 -4.414 19431 3328 1 8 . 1 1 107 107 MET CB C 107 21.629 21.629 30.658 -9.029 19431 3329 1 8 . 1 1 108 108 ASN N N 108 117.079 117.079 116.865 0.214 19431 3330 1 8 . 1 1 108 108 ASN HA H 108 5.111 5.111 5.395 -0.284 19431 3331 1 8 . 1 1 108 108 ASN CA C 108 49.519 49.519 52.091 -2.572 19431 3332 1 8 . 1 1 108 108 ASN CB C 108 37.221 37.221 41.251 -4.030 19431 3333 1 8 . 1 1 109 109 LEU N N 109 122.211 122.211 124.140 -1.929 19431 3334 1 8 . 1 1 109 109 LEU HA H 109 4.020 4.020 4.130 -0.110 19431 3335 1 8 . 1 1 109 109 LEU CA C 109 52.898 52.898 56.489 -3.591 19431 3336 1 8 . 1 1 109 109 LEU CB C 109 40.774 40.774 41.621 -0.847 19431 3337 1 8 . 1 1 110 110 VAL N N 110 109.806 109.806 125.230 -15.424 19431 3338 1 8 . 1 1 110 110 VAL HA H 110 4.551 4.551 4.371 0.180 19431 3339 1 8 . 1 1 110 110 VAL CA C 110 57.276 57.276 62.366 -5.090 19431 3340 1 8 . 1 1 110 110 VAL CB C 110 30.242 30.242 33.858 -3.616 19431 3341 1 8 . 1 1 111 111 SER N N 111 113.487 113.487 115.409 -1.922 19431 3342 1 8 . 1 1 111 111 SER HA H 111 4.476 4.476 4.842 -0.366 19431 3343 1 8 . 1 1 111 111 SER CA C 111 55.637 55.637 58.245 -2.608 19431 3344 1 8 . 1 1 111 111 SER CB C 111 61.288 61.288 65.892 -4.604 19431 3345 1 8 . 1 1 112 112 PHE N N 112 126.988 126.988 125.702 1.286 19431 3346 1 8 . 1 1 112 112 PHE HA H 112 4.991 4.991 5.726 -0.735 19431 3347 1 8 . 1 1 112 112 PHE CA C 112 55.305 55.305 56.761 -1.456 19431 3348 1 8 . 1 1 112 112 PHE CB C 112 40.128 40.128 43.029 -2.901 19431 3349 1 8 . 1 1 113 113 THR N N 113 120.333 120.333 122.027 -1.694 19431 3350 1 8 . 1 1 113 113 THR HA H 113 4.775 4.775 4.339 0.436 19431 3351 1 8 . 1 1 113 113 THR CA C 113 57.888 57.888 61.026 -3.138 19431 3352 1 8 . 1 1 113 113 THR CB C 113 69.193 69.193 71.784 -2.591 19431 3353 1 9 . 1 1 2 2 GLU HA H 2 4.446 4.446 4.457 -0.011 19431 3354 1 9 . 1 1 2 2 GLU CA C 2 53.359 53.359 55.740 -2.381 19431 3355 1 9 . 1 1 2 2 GLU CB C 2 29.108 29.108 30.994 -1.886 19431 3356 1 9 . 1 1 3 3 ILE N N 3 123.144 123.144 123.009 0.135 19431 3357 1 9 . 1 1 3 3 ILE HA H 3 4.358 4.358 4.469 -0.111 19431 3358 1 9 . 1 1 3 3 ILE CA C 3 57.727 57.727 59.020 -1.292 19431 3359 1 9 . 1 1 3 3 ILE CB C 3 35.665 35.665 38.123 -2.458 19431 3360 1 9 . 1 1 4 4 LEU N N 4 127.461 127.461 127.508 -0.047 19431 3361 1 9 . 1 1 4 4 LEU HA H 4 4.554 4.554 4.629 -0.075 19431 3362 1 9 . 1 1 4 4 LEU CA C 4 51.011 51.011 53.618 -2.607 19431 3363 1 9 . 1 1 4 4 LEU CB C 4 41.209 41.209 42.914 -1.705 19431 3364 1 9 . 1 1 5 5 LYS N N 5 121.611 121.611 119.185 2.426 19431 3365 1 9 . 1 1 5 5 LYS HA H 5 4.436 4.436 4.336 0.100 19431 3366 1 9 . 1 1 5 5 LYS CA C 5 53.150 53.150 56.638 -3.488 19431 3367 1 9 . 1 1 5 5 LYS CB C 5 29.359 29.359 32.278 -2.919 19431 3368 1 9 . 1 1 6 6 GLU N N 6 115.825 115.825 115.679 0.146 19431 3369 1 9 . 1 1 6 6 GLU HA H 6 4.269 4.269 4.500 -0.231 19431 3370 1 9 . 1 1 6 6 GLU CA C 6 51.331 51.331 55.244 -3.913 19431 3371 1 9 . 1 1 6 6 GLU CB C 6 29.583 29.583 30.880 -1.297 19431 3372 1 9 . 1 1 7 7 LEU N N 7 118.967 118.967 122.311 -3.344 19431 3373 1 9 . 1 1 7 7 LEU HA H 7 4.311 4.311 4.577 -0.266 19431 3374 1 9 . 1 1 7 7 LEU CA C 7 50.182 50.182 52.965 -2.783 19431 3375 1 9 . 1 1 7 7 LEU CB C 7 39.422 39.422 41.359 -1.937 19431 3376 1 9 . 1 1 8 8 PRO HA H 8 4.432 4.432 4.504 -0.072 19431 3377 1 9 . 1 1 8 8 PRO CA C 8 59.119 59.119 62.237 -3.118 19431 3378 1 9 . 1 1 8 8 PRO CB C 8 29.306 29.306 32.495 -3.189 19431 3379 1 9 . 1 1 9 9 GLU N N 9 121.059 121.059 118.519 2.540 19431 3380 1 9 . 1 1 9 9 GLU HA H 9 4.033 4.033 4.042 -0.009 19431 3381 1 9 . 1 1 9 9 GLU CA C 9 55.281 55.281 57.898 -2.617 19431 3382 1 9 . 1 1 9 9 GLU CB C 9 26.864 26.864 29.675 -2.811 19431 3383 1 9 . 1 1 10 10 GLY N N 10 112.279 112.279 111.199 1.080 19431 3384 1 9 . 1 1 10 10 GLY CA C 10 42.029 42.029 44.462 -2.433 19431 3385 1 9 . 1 1 11 11 PHE N N 11 117.612 117.612 120.788 -3.176 19431 3386 1 9 . 1 1 11 11 PHE HA H 11 4.660 4.660 4.735 -0.075 19431 3387 1 9 . 1 1 11 11 PHE CA C 11 54.280 54.280 56.687 -2.407 19431 3388 1 9 . 1 1 11 11 PHE CB C 11 39.721 39.721 40.140 -0.419 19431 3389 1 9 . 1 1 12 12 ASP N N 12 121.568 121.568 121.487 0.081 19431 3390 1 9 . 1 1 12 12 ASP HA H 12 4.875 4.875 4.881 -0.006 19431 3391 1 9 . 1 1 12 12 ASP CA C 12 49.676 49.676 53.552 -3.876 19431 3392 1 9 . 1 1 12 12 ASP CB C 12 42.307 42.307 43.291 -0.984 19431 3393 1 9 . 1 1 13 13 LYS N N 13 125.770 125.770 123.777 1.993 19431 3394 1 9 . 1 1 13 13 LYS HA H 13 3.294 3.294 3.506 -0.212 19431 3395 1 9 . 1 1 13 13 LYS CA C 13 58.046 58.046 60.500 -2.454 19431 3396 1 9 . 1 1 13 13 LYS CB C 13 30.216 30.216 32.378 -2.162 19431 3397 1 9 . 1 1 14 14 GLU N N 14 118.590 118.590 117.960 0.630 19431 3398 1 9 . 1 1 14 14 GLU HA H 14 4.090 4.090 4.085 0.005 19431 3399 1 9 . 1 1 14 14 GLU CA C 14 56.364 56.364 60.391 -4.027 19431 3400 1 9 . 1 1 14 14 GLU CB C 14 26.479 26.479 28.073 -1.594 19431 3401 1 9 . 1 1 15 15 THR N N 15 118.372 118.372 115.179 3.193 19431 3402 1 9 . 1 1 15 15 THR HA H 15 3.737 3.737 4.033 -0.296 19431 3403 1 9 . 1 1 15 15 THR CA C 15 63.974 63.974 66.588 -2.614 19431 3404 1 9 . 1 1 15 15 THR CB C 15 65.565 65.565 68.292 -2.727 19431 3405 1 9 . 1 1 16 16 VAL N N 16 121.083 121.083 122.187 -1.104 19431 3406 1 9 . 1 1 16 16 VAL HA H 16 3.329 3.329 3.557 -0.228 19431 3407 1 9 . 1 1 16 16 VAL CA C 16 64.214 64.214 67.007 -2.793 19431 3408 1 9 . 1 1 16 16 VAL CB C 16 29.011 29.011 31.710 -2.699 19431 3409 1 9 . 1 1 17 17 ARG N N 17 119.409 119.409 120.387 -0.978 19431 3410 1 9 . 1 1 17 17 ARG HA H 17 3.737 3.737 3.925 -0.188 19431 3411 1 9 . 1 1 17 17 ARG CA C 17 58.049 58.049 59.948 -1.899 19431 3412 1 9 . 1 1 17 17 ARG CB C 17 27.401 27.401 30.129 -2.728 19431 3413 1 9 . 1 1 18 18 LYS N N 18 116.168 116.168 118.608 -2.440 19431 3414 1 9 . 1 1 18 18 LYS HA H 18 3.800 3.800 3.997 -0.197 19431 3415 1 9 . 1 1 18 18 LYS CA C 18 57.031 57.031 59.205 -2.174 19431 3416 1 9 . 1 1 18 18 LYS CB C 18 29.801 29.801 32.052 -2.251 19431 3417 1 9 . 1 1 19 19 GLN N N 19 120.008 120.008 116.825 3.183 19431 3418 1 9 . 1 1 19 19 GLN HA H 19 3.767 3.767 4.041 -0.274 19431 3419 1 9 . 1 1 19 19 GLN CA C 19 54.492 54.492 58.066 -3.574 19431 3420 1 9 . 1 1 19 19 GLN CB C 19 26.490 26.490 28.054 -1.564 19431 3421 1 9 . 1 1 20 20 ALA N N 20 122.405 122.405 121.780 0.625 19431 3422 1 9 . 1 1 20 20 ALA HA H 20 4.404 4.404 4.304 0.100 19431 3423 1 9 . 1 1 20 20 ALA CA C 20 52.036 52.036 54.581 -2.545 19431 3424 1 9 . 1 1 20 20 ALA CB C 20 16.407 16.407 18.323 -1.916 19431 3425 1 9 . 1 1 21 21 MET N N 21 115.042 115.042 116.514 -1.472 19431 3426 1 9 . 1 1 21 21 MET HA H 21 3.354 3.354 3.653 -0.299 19431 3427 1 9 . 1 1 21 21 MET CA C 21 56.861 56.861 59.087 -2.226 19431 3428 1 9 . 1 1 21 21 MET CB C 21 30.538 30.538 32.233 -1.694 19431 3429 1 9 . 1 1 22 22 GLU N N 22 118.882 118.882 118.755 0.127 19431 3430 1 9 . 1 1 22 22 GLU HA H 22 3.923 3.923 4.260 -0.337 19431 3431 1 9 . 1 1 22 22 GLU CA C 22 56.675 56.675 58.324 -1.649 19431 3432 1 9 . 1 1 22 22 GLU CB C 22 26.613 26.613 29.361 -2.748 19431 3433 1 9 . 1 1 23 23 ASP N N 23 122.549 122.549 120.881 1.668 19431 3434 1 9 . 1 1 23 23 ASP HA H 23 4.658 4.658 4.522 0.136 19431 3435 1 9 . 1 1 23 23 ASP CA C 23 55.053 55.053 57.020 -1.967 19431 3436 1 9 . 1 1 23 23 ASP CB C 23 37.479 37.479 40.429 -2.950 19431 3437 1 9 . 1 1 24 24 ILE N N 24 123.580 123.580 119.890 3.690 19431 3438 1 9 . 1 1 24 24 ILE HA H 24 3.678 3.678 3.102 0.576 19431 3439 1 9 . 1 1 24 24 ILE CA C 24 63.201 63.201 65.287 -2.086 19431 3440 1 9 . 1 1 24 24 ILE CB C 24 35.138 35.138 37.463 -2.325 19431 3441 1 9 . 1 1 25 25 GLU N N 25 120.591 120.591 119.422 1.169 19431 3442 1 9 . 1 1 25 25 GLU HA H 25 3.885 3.885 3.919 -0.034 19431 3443 1 9 . 1 1 25 25 GLU CA C 25 57.824 57.824 59.317 -1.493 19431 3444 1 9 . 1 1 25 25 GLU CB C 25 25.883 25.883 29.626 -3.743 19431 3445 1 9 . 1 1 26 26 ILE N N 26 121.350 121.350 119.112 2.238 19431 3446 1 9 . 1 1 26 26 ILE HA H 26 3.718 3.718 3.907 -0.189 19431 3447 1 9 . 1 1 26 26 ILE CA C 26 62.881 62.881 64.963 -2.082 19431 3448 1 9 . 1 1 26 26 ILE CB C 26 35.324 35.324 37.763 -2.439 19431 3449 1 9 . 1 1 27 27 ALA N N 27 120.204 120.204 122.699 -2.495 19431 3450 1 9 . 1 1 28 28 GLN N N 28 114.627 114.627 115.586 -0.959 19431 3451 1 9 . 1 1 28 28 GLN CB C 28 26.380 26.380 28.655 -2.275 19431 3452 1 9 . 1 1 29 29 SER N N 29 115.031 115.031 113.258 1.773 19431 3453 1 9 . 1 1 29 29 SER HA H 29 4.260 4.260 4.521 -0.261 19431 3454 1 9 . 1 1 29 29 SER CA C 29 57.768 57.768 58.654 -0.886 19431 3455 1 9 . 1 1 29 29 SER CB C 29 61.367 61.367 63.704 -2.337 19431 3456 1 9 . 1 1 30 30 LYS N N 30 112.834 112.834 119.133 -6.299 19431 3457 1 9 . 1 1 30 30 LYS HA H 30 4.228 4.228 3.949 0.279 19431 3458 1 9 . 1 1 30 30 LYS CA C 30 56.103 56.103 57.118 -1.015 19431 3459 1 9 . 1 1 30 30 LYS CB C 30 26.478 26.478 29.718 -3.240 19431 3460 1 9 . 1 1 31 31 ASP N N 31 121.067 121.067 118.263 2.804 19431 3461 1 9 . 1 1 31 31 ASP HA H 31 4.877 4.877 4.344 0.533 19431 3462 1 9 . 1 1 31 31 ASP CA C 31 49.742 49.742 53.983 -4.241 19431 3463 1 9 . 1 1 31 31 ASP CB C 31 38.652 38.652 42.250 -3.598 19431 3464 1 9 . 1 1 32 32 TYR N N 32 126.671 126.671 121.310 5.361 19431 3465 1 9 . 1 1 32 32 TYR HA H 32 3.311 3.311 4.293 -0.982 19431 3466 1 9 . 1 1 32 32 TYR CA C 32 57.951 57.951 59.778 -1.827 19431 3467 1 9 . 1 1 32 32 TYR CB C 32 36.158 36.158 38.475 -2.317 19431 3468 1 9 . 1 1 33 33 GLU N N 33 115.884 115.884 120.345 -4.461 19431 3469 1 9 . 1 1 33 33 GLU HA H 33 3.442 3.442 4.087 -0.645 19431 3470 1 9 . 1 1 33 33 GLU CA C 33 56.757 56.757 60.004 -3.247 19431 3471 1 9 . 1 1 33 33 GLU CB C 33 26.095 26.095 28.905 -2.810 19431 3472 1 9 . 1 1 34 34 SER N N 34 116.060 116.060 114.923 1.137 19431 3473 1 9 . 1 1 34 34 SER HA H 34 4.026 4.026 4.279 -0.253 19431 3474 1 9 . 1 1 34 34 SER CA C 34 58.953 58.953 60.655 -1.702 19431 3475 1 9 . 1 1 34 34 SER CB C 34 59.683 59.683 63.013 -3.330 19431 3476 1 9 . 1 1 35 35 TRP N N 35 123.977 123.977 122.755 1.222 19431 3477 1 9 . 1 1 35 35 TRP CA C 35 57.894 57.894 58.992 -1.098 19431 3478 1 9 . 1 1 35 35 TRP CB C 35 25.531 25.531 29.686 -4.155 19431 3479 1 9 . 1 1 36 36 LYS N N 36 117.633 117.633 120.556 -2.923 19431 3480 1 9 . 1 1 36 36 LYS HA H 36 3.128 3.128 3.882 -0.754 19431 3481 1 9 . 1 1 36 36 LYS CA C 36 55.998 55.998 60.283 -4.285 19431 3482 1 9 . 1 1 36 36 LYS CB C 36 29.304 29.304 32.204 -2.900 19431 3483 1 9 . 1 1 37 37 SER N N 37 109.835 109.835 112.857 -3.022 19431 3484 1 9 . 1 1 37 37 SER HA H 37 3.989 3.989 4.286 -0.297 19431 3485 1 9 . 1 1 37 37 SER CA C 37 57.765 57.765 60.610 -2.845 19431 3486 1 9 . 1 1 37 37 SER CB C 37 60.606 60.606 62.610 -2.004 19431 3487 1 9 . 1 1 38 38 ARG N N 38 119.946 119.946 118.310 1.636 19431 3488 1 9 . 1 1 38 38 ARG HA H 38 4.144 4.144 4.210 -0.066 19431 3489 1 9 . 1 1 38 38 ARG CA C 38 51.208 51.208 55.680 -4.472 19431 3490 1 9 . 1 1 38 38 ARG CB C 38 25.717 25.717 30.360 -4.643 19431 3491 1 9 . 1 1 39 39 PHE N N 39 117.529 117.529 118.117 -0.588 19431 3492 1 9 . 1 1 39 39 PHE HA H 39 4.855 4.855 5.005 -0.150 19431 3493 1 9 . 1 1 39 39 PHE CA C 39 54.234 54.234 57.932 -3.698 19431 3494 1 9 . 1 1 39 39 PHE CB C 39 37.547 37.547 40.575 -3.028 19431 3495 1 9 . 1 1 40 40 THR N N 40 113.296 113.296 111.752 1.544 19431 3496 1 9 . 1 1 40 40 THR HA H 40 3.991 3.991 4.350 -0.359 19431 3497 1 9 . 1 1 40 40 THR CA C 40 59.704 59.704 61.277 -1.573 19431 3498 1 9 . 1 1 40 40 THR CB C 40 66.175 66.175 70.851 -4.676 19431 3499 1 9 . 1 1 41 41 LYS N N 41 124.924 124.924 121.070 3.854 19431 3500 1 9 . 1 1 41 41 LYS HA H 41 3.713 3.713 4.131 -0.418 19431 3501 1 9 . 1 1 41 41 LYS CA C 41 57.650 57.650 59.050 -1.399 19431 3502 1 9 . 1 1 41 41 LYS CB C 41 29.363 29.363 32.164 -2.801 19431 3503 1 9 . 1 1 42 42 ASP N N 42 116.255 116.255 119.720 -3.465 19431 3504 1 9 . 1 1 42 42 ASP HA H 42 4.343 4.343 4.630 -0.287 19431 3505 1 9 . 1 1 42 42 ASP CA C 42 53.841 53.841 56.136 -2.295 19431 3506 1 9 . 1 1 42 42 ASP CB C 42 37.703 37.703 41.631 -3.928 19431 3507 1 9 . 1 1 43 43 LEU N N 43 119.134 119.134 120.602 -1.468 19431 3508 1 9 . 1 1 43 43 LEU HA H 43 4.320 4.320 3.983 0.337 19431 3509 1 9 . 1 1 43 43 LEU CA C 43 52.423 52.423 57.396 -4.973 19431 3510 1 9 . 1 1 43 43 LEU CB C 43 40.023 40.023 41.895 -1.873 19431 3511 1 9 . 1 1 44 44 GLN N N 44 119.455 119.455 118.446 1.009 19431 3512 1 9 . 1 1 44 44 GLN HA H 44 3.466 3.466 4.051 -0.585 19431 3513 1 9 . 1 1 44 44 GLN CA C 44 57.437 57.437 58.687 -1.250 19431 3514 1 9 . 1 1 44 44 GLN CB C 44 25.394 25.394 28.625 -3.231 19431 3515 1 9 . 1 1 45 45 SER N N 45 110.605 110.605 111.568 -0.963 19431 3516 1 9 . 1 1 45 45 SER HA H 45 4.211 4.211 4.511 -0.300 19431 3517 1 9 . 1 1 45 45 SER CA C 45 57.621 57.621 58.280 -0.659 19431 3518 1 9 . 1 1 45 45 SER CB C 45 60.094 60.094 63.730 -3.636 19431 3519 1 9 . 1 1 46 46 SER N N 46 115.075 115.075 115.591 -0.516 19431 3520 1 9 . 1 1 46 46 SER HA H 46 4.473 4.473 4.495 -0.022 19431 3521 1 9 . 1 1 46 46 SER CA C 46 55.739 55.739 58.228 -2.489 19431 3522 1 9 . 1 1 46 46 SER CB C 46 61.628 61.628 64.092 -2.464 19431 3523 1 9 . 1 1 47 47 LEU N N 47 124.984 124.984 123.192 1.792 19431 3524 1 9 . 1 1 47 47 LEU HA H 47 4.334 4.334 4.169 0.165 19431 3525 1 9 . 1 1 47 47 LEU CA C 47 52.040 52.040 54.935 -2.895 19431 3526 1 9 . 1 1 47 47 LEU CB C 47 39.810 39.810 42.438 -2.628 19431 3527 1 9 . 1 1 48 48 THR N N 48 111.152 111.152 112.278 -1.126 19431 3528 1 9 . 1 1 48 48 THR HA H 48 4.665 4.665 4.519 0.146 19431 3529 1 9 . 1 1 48 48 THR CA C 48 56.718 56.718 60.212 -3.494 19431 3530 1 9 . 1 1 48 48 THR CB C 48 69.103 69.103 70.758 -1.655 19431 3531 1 9 . 1 1 49 49 GLU N N 49 124.552 124.552 123.089 1.463 19431 3532 1 9 . 1 1 49 49 GLU HA H 49 3.194 3.194 4.276 -1.082 19431 3533 1 9 . 1 1 49 49 GLU CA C 49 56.770 56.770 59.717 -2.947 19431 3534 1 9 . 1 1 49 49 GLU CB C 49 26.148 26.148 29.829 -3.682 19431 3535 1 9 . 1 1 50 50 GLU N N 50 118.615 118.615 119.527 -0.912 19431 3536 1 9 . 1 1 50 50 GLU HA H 50 4.000 4.000 4.117 -0.117 19431 3537 1 9 . 1 1 50 50 GLU CA C 50 57.357 57.357 58.913 -1.556 19431 3538 1 9 . 1 1 50 50 GLU CB C 50 26.511 26.511 29.255 -2.744 19431 3539 1 9 . 1 1 51 51 SER N N 51 116.380 116.380 114.080 2.300 19431 3540 1 9 . 1 1 51 51 SER HA H 51 4.256 4.256 4.264 -0.008 19431 3541 1 9 . 1 1 51 51 SER CA C 51 58.825 58.825 59.776 -0.951 19431 3542 1 9 . 1 1 51 51 SER CB C 51 59.884 59.884 62.984 -3.100 19431 3543 1 9 . 1 1 52 52 TYR N N 52 125.611 125.611 116.278 9.333 19431 3544 1 9 . 1 1 52 52 TYR CB C 52 36.647 36.647 38.715 -2.068 19431 3545 1 9 . 1 1 53 53 ASP N N 53 119.653 119.653 119.968 -0.315 19431 3546 1 9 . 1 1 53 53 ASP HA H 53 4.115 4.115 4.723 -0.608 19431 3547 1 9 . 1 1 53 53 ASP CA C 53 54.553 54.553 54.880 -0.327 19431 3548 1 9 . 1 1 53 53 ASP CB C 53 37.477 37.477 42.202 -4.725 19431 3549 1 9 . 1 1 54 54 SER N N 54 114.883 114.883 116.691 -1.808 19431 3550 1 9 . 1 1 54 54 SER HA H 54 3.946 3.946 4.227 -0.281 19431 3551 1 9 . 1 1 54 54 SER CA C 54 59.741 59.741 61.257 -1.516 19431 3552 1 9 . 1 1 54 54 SER CB C 54 59.750 59.750 63.352 -3.602 19431 3553 1 9 . 1 1 55 55 TYR N N 55 123.933 123.933 119.106 4.827 19431 3554 1 9 . 1 1 55 55 TYR HA H 55 4.361 4.361 4.406 -0.045 19431 3555 1 9 . 1 1 55 55 TYR CA C 55 57.213 57.213 59.098 -1.885 19431 3556 1 9 . 1 1 55 55 TYR CB C 55 34.024 34.024 37.183 -3.159 19431 3557 1 9 . 1 1 56 56 LEU N N 56 119.758 119.758 120.213 -0.455 19431 3558 1 9 . 1 1 56 56 LEU HA H 56 3.252 3.252 3.473 -0.221 19431 3559 1 9 . 1 1 56 56 LEU CA C 56 54.681 54.681 57.097 -2.417 19431 3560 1 9 . 1 1 56 56 LEU CB C 56 38.151 38.151 40.989 -2.838 19431 3561 1 9 . 1 1 57 57 LYS N N 57 118.487 118.487 118.879 -0.392 19431 3562 1 9 . 1 1 57 57 LYS HA H 57 3.852 3.852 3.921 -0.069 19431 3563 1 9 . 1 1 57 57 LYS CA C 57 56.090 56.090 59.112 -3.022 19431 3564 1 9 . 1 1 57 57 LYS CB C 57 29.683 29.683 31.659 -1.976 19431 3565 1 9 . 1 1 58 58 ILE N N 58 120.887 120.887 118.578 2.309 19431 3566 1 9 . 1 1 58 58 ILE HA H 58 3.591 3.591 3.792 -0.201 19431 3567 1 9 . 1 1 58 58 ILE CA C 58 61.366 61.366 64.107 -2.741 19431 3568 1 9 . 1 1 58 58 ILE CB C 58 35.144 35.144 37.772 -2.628 19431 3569 1 9 . 1 1 59 59 LEU N N 59 122.273 122.273 121.452 0.821 19431 3570 1 9 . 1 1 59 59 LEU HA H 59 3.437 3.437 3.744 -0.307 19431 3571 1 9 . 1 1 59 59 LEU CA C 59 54.847 54.847 58.334 -3.487 19431 3572 1 9 . 1 1 59 59 LEU CB C 59 39.071 39.071 41.665 -2.594 19431 3573 1 9 . 1 1 60 60 GLU N N 60 118.591 118.591 116.795 1.796 19431 3574 1 9 . 1 1 60 60 GLU HA H 60 3.810 3.810 4.003 -0.193 19431 3575 1 9 . 1 1 60 60 GLU CA C 60 56.156 56.156 58.815 -2.659 19431 3576 1 9 . 1 1 60 60 GLU CB C 60 26.820 26.820 29.383 -2.563 19431 3577 1 9 . 1 1 61 61 LYS N N 61 115.698 115.698 113.156 2.542 19431 3578 1 9 . 1 1 61 61 LYS HA H 61 4.029 4.029 4.452 -0.423 19431 3579 1 9 . 1 1 61 61 LYS CA C 61 54.164 54.164 55.782 -1.618 19431 3580 1 9 . 1 1 61 61 LYS CB C 61 29.581 29.581 32.357 -2.776 19431 3581 1 9 . 1 1 62 62 GLN N N 62 114.863 114.863 118.024 -3.161 19431 3582 1 9 . 1 1 62 62 GLN HA H 62 3.851 3.851 4.412 -0.561 19431 3583 1 9 . 1 1 62 62 GLN CA C 62 52.258 52.258 55.590 -3.332 19431 3584 1 9 . 1 1 62 62 GLN CB C 62 25.186 25.186 30.032 -4.846 19431 3585 1 9 . 1 1 63 63 GLY N N 63 101.724 101.724 107.052 -5.328 19431 3586 1 9 . 1 1 63 63 GLY CA C 63 41.815 41.815 44.534 -2.719 19431 3587 1 9 . 1 1 64 64 GLU N N 64 118.731 118.731 121.560 -2.829 19431 3588 1 9 . 1 1 64 64 GLU HA H 64 4.137 4.137 4.632 -0.495 19431 3589 1 9 . 1 1 64 64 GLU CA C 64 54.598 54.598 55.230 -0.631 19431 3590 1 9 . 1 1 64 64 GLU CB C 64 28.312 28.312 31.880 -3.568 19431 3591 1 9 . 1 1 65 65 PHE N N 65 123.366 123.366 125.924 -2.558 19431 3592 1 9 . 1 1 65 65 PHE HA H 65 3.825 3.825 3.798 0.027 19431 3593 1 9 . 1 1 65 65 PHE CA C 65 57.419 57.419 58.025 -0.606 19431 3594 1 9 . 1 1 65 65 PHE CB C 65 36.666 36.666 38.785 -2.119 19431 3595 1 9 . 1 1 66 66 LYS N N 66 125.336 125.336 125.317 0.019 19431 3596 1 9 . 1 1 66 66 LYS HA H 66 4.168 4.168 3.981 0.187 19431 3597 1 9 . 1 1 66 66 LYS CA C 66 53.226 53.226 55.727 -2.501 19431 3598 1 9 . 1 1 66 66 LYS CB C 66 30.293 30.293 33.882 -3.589 19431 3599 1 9 . 1 1 67 67 GLU N N 67 112.076 112.076 117.632 -5.556 19431 3600 1 9 . 1 1 67 67 GLU HA H 67 4.069 4.069 4.192 -0.123 19431 3601 1 9 . 1 1 67 67 GLU CA C 67 52.907 52.907 55.122 -2.215 19431 3602 1 9 . 1 1 67 67 GLU CB C 67 29.378 29.378 32.519 -3.141 19431 3603 1 9 . 1 1 68 68 PHE N N 68 118.706 118.706 120.060 -1.354 19431 3604 1 9 . 1 1 68 68 PHE CB C 68 38.408 38.408 41.642 -3.234 19431 3605 1 9 . 1 1 69 69 GLY N N 69 112.889 112.889 109.787 3.102 19431 3606 1 9 . 1 1 69 69 GLY CA C 69 41.353 41.353 44.372 -3.019 19431 3607 1 9 . 1 1 70 70 LYS N N 70 122.409 122.409 120.545 1.864 19431 3608 1 9 . 1 1 70 70 LYS HA H 70 4.085 4.085 4.338 -0.253 19431 3609 1 9 . 1 1 70 70 LYS CA C 70 54.418 54.418 56.311 -1.893 19431 3610 1 9 . 1 1 70 70 LYS CB C 70 31.197 31.197 32.670 -1.473 19431 3611 1 9 . 1 1 71 71 CYS N N 71 118.509 118.509 125.703 -7.194 19431 3612 1 9 . 1 1 71 71 CYS HA H 71 5.332 5.332 5.266 0.066 19431 3613 1 9 . 1 1 71 71 CYS CA C 71 54.655 54.655 56.410 -1.754 19431 3614 1 9 . 1 1 71 71 CYS CB C 71 28.223 28.223 26.397 1.826 19431 3615 1 9 . 1 1 72 72 THR N N 72 120.129 120.129 121.078 -0.949 19431 3616 1 9 . 1 1 72 72 THR HA H 72 4.272 4.272 4.335 -0.063 19431 3617 1 9 . 1 1 72 72 THR CA C 72 58.652 58.652 62.552 -3.900 19431 3618 1 9 . 1 1 72 72 THR CB C 72 68.199 68.199 69.807 -1.608 19431 3619 1 9 . 1 1 73 73 TYR N N 73 122.772 122.772 123.287 -0.515 19431 3620 1 9 . 1 1 73 73 TYR HA H 73 5.034 5.034 4.858 0.176 19431 3621 1 9 . 1 1 73 73 TYR CA C 73 55.497 55.497 57.934 -2.437 19431 3622 1 9 . 1 1 73 73 TYR CB C 73 38.271 38.271 40.964 -2.693 19431 3623 1 9 . 1 1 74 74 LEU N N 74 117.980 117.980 119.210 -1.230 19431 3624 1 9 . 1 1 74 74 LEU HA H 74 4.466 4.466 4.735 -0.269 19431 3625 1 9 . 1 1 74 74 LEU CA C 74 51.805 51.805 53.968 -2.163 19431 3626 1 9 . 1 1 74 74 LEU CB C 74 42.030 42.030 46.178 -4.148 19431 3627 1 9 . 1 1 75 75 GLY N N 75 105.257 105.257 106.154 -0.897 19431 3628 1 9 . 1 1 75 75 GLY CA C 75 42.799 42.799 44.941 -2.142 19431 3629 1 9 . 1 1 76 76 GLN N N 76 119.071 119.071 117.797 1.274 19431 3630 1 9 . 1 1 76 76 GLN HA H 76 4.938 4.938 5.156 -0.218 19431 3631 1 9 . 1 1 76 76 GLN CA C 76 52.495 52.495 54.765 -2.270 19431 3632 1 9 . 1 1 76 76 GLN CB C 76 30.498 30.498 33.242 -2.744 19431 3633 1 9 . 1 1 77 77 ILE N N 77 123.550 123.550 122.641 0.909 19431 3634 1 9 . 1 1 77 77 ILE HA H 77 4.992 4.992 5.121 -0.129 19431 3635 1 9 . 1 1 77 77 ILE CA C 77 57.239 57.239 60.184 -2.945 19431 3636 1 9 . 1 1 77 77 ILE CB C 77 36.664 36.664 39.431 -2.767 19431 3637 1 9 . 1 1 78 78 LYS N N 78 127.532 127.532 126.855 0.677 19431 3638 1 9 . 1 1 78 78 LYS HA H 78 4.585 4.585 4.181 0.404 19431 3639 1 9 . 1 1 78 78 LYS CA C 78 52.768 52.768 58.076 -5.308 19431 3640 1 9 . 1 1 78 78 LYS CB C 78 32.536 32.536 32.890 -0.354 19431 3641 1 9 . 1 1 79 79 ASP N N 79 128.019 128.019 116.329 11.690 19431 3642 1 9 . 1 1 79 79 ASP HA H 79 4.168 4.168 4.617 -0.449 19431 3643 1 9 . 1 1 79 79 ASP CA C 79 53.258 53.258 55.837 -2.579 19431 3644 1 9 . 1 1 79 79 ASP CB C 79 36.826 36.826 41.822 -4.996 19431 3645 1 9 . 1 1 80 80 ASN N N 80 110.608 110.608 116.433 -5.825 19431 3646 1 9 . 1 1 80 80 ASN HA H 80 4.168 4.168 4.702 -0.534 19431 3647 1 9 . 1 1 80 80 ASN CA C 80 51.912 51.912 53.141 -1.229 19431 3648 1 9 . 1 1 80 80 ASN CB C 80 35.506 35.506 39.759 -4.253 19431 3649 1 9 . 1 1 81 81 LYS N N 81 121.116 121.116 121.390 -0.274 19431 3650 1 9 . 1 1 81 81 LYS HA H 81 4.482 4.482 4.435 0.047 19431 3651 1 9 . 1 1 81 81 LYS CA C 81 52.353 52.353 54.802 -2.449 19431 3652 1 9 . 1 1 81 81 LYS CB C 81 32.119 32.119 33.355 -1.236 19431 3653 1 9 . 1 1 82 82 LYS N N 82 119.259 119.259 124.546 -5.287 19431 3654 1 9 . 1 1 82 82 LYS HA H 82 4.765 4.765 5.141 -0.376 19431 3655 1 9 . 1 1 82 82 LYS CA C 82 52.722 52.722 55.574 -2.852 19431 3656 1 9 . 1 1 82 82 LYS CB C 82 32.934 32.934 34.787 -1.853 19431 3657 1 9 . 1 1 83 83 TYR N N 83 118.176 118.176 121.374 -3.198 19431 3658 1 9 . 1 1 83 83 TYR HA H 83 5.275 5.275 4.852 0.423 19431 3659 1 9 . 1 1 83 83 TYR CA C 83 53.383 53.383 56.890 -3.507 19431 3660 1 9 . 1 1 83 83 TYR CB C 83 38.026 38.026 43.332 -5.306 19431 3661 1 9 . 1 1 84 84 GLY N N 84 111.686 111.686 107.326 4.360 19431 3662 1 9 . 1 1 84 84 GLY CA C 84 41.219 41.219 42.844 -1.625 19431 3663 1 9 . 1 1 85 85 GLY N N 85 111.232 111.232 107.468 3.764 19431 3664 1 9 . 1 1 85 85 GLY CA C 85 42.272 42.272 43.348 -1.076 19431 3665 1 9 . 1 1 86 86 VAL N N 86 115.256 115.256 119.451 -4.195 19431 3666 1 9 . 1 1 86 86 VAL HA H 86 5.127 5.127 4.882 0.245 19431 3667 1 9 . 1 1 86 86 VAL CA C 86 55.741 55.741 60.370 -4.629 19431 3668 1 9 . 1 1 86 86 VAL CB C 86 33.129 33.129 35.275 -2.146 19431 3669 1 9 . 1 1 87 87 ILE N N 87 125.124 125.124 129.625 -4.501 19431 3670 1 9 . 1 1 87 87 ILE HA H 87 5.206 5.206 4.418 0.788 19431 3671 1 9 . 1 1 87 87 ILE CA C 87 57.168 57.168 60.849 -3.681 19431 3672 1 9 . 1 1 87 87 ILE CB C 87 36.590 36.590 37.845 -1.255 19431 3673 1 9 . 1 1 88 88 ILE N N 88 128.056 128.056 128.729 -0.673 19431 3674 1 9 . 1 1 88 88 ILE HA H 88 5.146 5.146 4.265 0.881 19431 3675 1 9 . 1 1 88 88 ILE CA C 88 55.356 55.356 59.396 -4.040 19431 3676 1 9 . 1 1 88 88 ILE CB C 88 39.847 39.847 38.638 1.209 19431 3677 1 9 . 1 1 89 89 VAL N N 89 128.326 128.326 129.884 -1.558 19431 3678 1 9 . 1 1 89 89 VAL HA H 89 4.387 4.387 3.983 0.404 19431 3679 1 9 . 1 1 89 89 VAL CA C 89 59.839 59.839 63.566 -3.728 19431 3680 1 9 . 1 1 89 89 VAL CB C 89 30.295 30.295 32.183 -1.888 19431 3681 1 9 . 1 1 90 90 VAL N N 90 128.738 128.738 128.070 0.668 19431 3682 1 9 . 1 1 90 90 VAL HA H 90 4.207 4.207 4.773 -0.566 19431 3683 1 9 . 1 1 90 90 VAL CA C 90 59.722 59.722 60.603 -0.881 19431 3684 1 9 . 1 1 90 90 VAL CB C 90 31.537 31.537 34.420 -2.883 19431 3685 1 9 . 1 1 91 91 LYS N N 91 126.004 126.004 127.152 -1.148 19431 3686 1 9 . 1 1 91 91 LYS HA H 91 4.629 4.629 4.663 -0.034 19431 3687 1 9 . 1 1 91 91 LYS CA C 91 52.972 52.972 55.345 -2.373 19431 3688 1 9 . 1 1 91 91 LYS CB C 91 30.789 30.789 31.990 -1.201 19431 3689 1 9 . 1 1 92 92 TYR N N 92 123.932 123.932 123.984 -0.052 19431 3690 1 9 . 1 1 92 92 TYR HA H 92 4.940 4.940 4.534 0.406 19431 3691 1 9 . 1 1 92 92 TYR CA C 92 53.905 53.905 59.104 -5.199 19431 3692 1 9 . 1 1 92 92 TYR CB C 92 39.331 39.331 39.509 -0.178 19431 3693 1 9 . 1 1 93 93 GLU N N 93 122.195 122.195 119.858 2.337 19431 3694 1 9 . 1 1 93 93 GLU HA H 93 3.834 3.834 4.130 -0.296 19431 3695 1 9 . 1 1 93 93 GLU CA C 93 57.465 57.465 58.809 -1.343 19431 3696 1 9 . 1 1 93 93 GLU CB C 93 28.695 28.695 30.085 -1.390 19431 3697 1 9 . 1 1 94 94 GLU N N 94 110.219 110.219 114.981 -4.762 19431 3698 1 9 . 1 1 94 94 GLU HA H 94 4.440 4.440 4.543 -0.103 19431 3699 1 9 . 1 1 94 94 GLU CA C 94 52.555 52.555 56.267 -3.712 19431 3700 1 9 . 1 1 94 94 GLU CB C 94 26.861 26.861 32.739 -5.878 19431 3701 1 9 . 1 1 95 95 GLY N N 95 106.566 106.566 108.729 -2.163 19431 3702 1 9 . 1 1 95 95 GLY CA C 95 42.542 42.542 44.489 -1.947 19431 3703 1 9 . 1 1 96 96 ASN N N 96 116.707 116.707 119.318 -2.611 19431 3704 1 9 . 1 1 96 96 ASN HA H 96 5.720 5.720 5.795 -0.075 19431 3705 1 9 . 1 1 96 96 ASN CA C 96 49.003 49.003 52.998 -3.994 19431 3706 1 9 . 1 1 96 96 ASN CB C 96 37.602 37.602 40.139 -2.538 19431 3707 1 9 . 1 1 97 97 VAL N N 97 122.002 122.002 124.619 -2.617 19431 3708 1 9 . 1 1 97 97 VAL HA H 97 4.117 4.117 4.125 -0.008 19431 3709 1 9 . 1 1 97 97 VAL CA C 97 58.404 58.404 61.295 -2.891 19431 3710 1 9 . 1 1 97 97 VAL CB C 97 33.456 33.456 32.568 0.888 19431 3711 1 9 . 1 1 98 98 ASN N N 98 124.376 124.376 127.123 -2.747 19431 3712 1 9 . 1 1 98 98 ASN HA H 98 5.135 5.135 4.803 0.332 19431 3713 1 9 . 1 1 98 98 ASN CA C 98 48.630 48.630 52.513 -3.883 19431 3714 1 9 . 1 1 98 98 ASN CB C 98 36.031 36.031 38.197 -2.166 19431 3715 1 9 . 1 1 99 99 TYR N N 99 123.932 123.932 125.707 -1.775 19431 3716 1 9 . 1 1 99 99 TYR HA H 99 4.640 4.640 4.546 0.094 19431 3717 1 9 . 1 1 99 99 TYR CA C 99 55.468 55.468 59.047 -3.579 19431 3718 1 9 . 1 1 99 99 TYR CB C 99 38.122 38.122 37.821 0.301 19431 3719 1 9 . 1 1 100 100 SER N N 100 115.327 115.327 121.472 -6.145 19431 3720 1 9 . 1 1 100 100 SER HA H 100 5.242 5.242 5.171 0.071 19431 3721 1 9 . 1 1 100 100 SER CA C 100 53.767 53.767 57.657 -3.890 19431 3722 1 9 . 1 1 100 100 SER CB C 100 60.649 60.649 62.751 -2.102 19431 3723 1 9 . 1 1 101 101 LEU N N 101 130.521 130.521 127.235 3.286 19431 3724 1 9 . 1 1 101 101 LEU HA H 101 4.978 4.978 4.542 0.436 19431 3725 1 9 . 1 1 101 101 LEU CA C 101 51.756 51.756 53.550 -1.794 19431 3726 1 9 . 1 1 101 101 LEU CB C 101 42.765 42.765 42.697 0.068 19431 3727 1 9 . 1 1 102 102 ALA N N 102 121.373 121.373 126.381 -5.008 19431 3728 1 9 . 1 1 102 102 ALA HA H 102 4.994 4.994 4.741 0.253 19431 3729 1 9 . 1 1 102 102 ALA CA C 102 48.505 48.505 50.084 -1.579 19431 3730 1 9 . 1 1 102 102 ALA CB C 102 19.355 19.355 22.279 -2.924 19431 3731 1 9 . 1 1 103 103 TYR N N 103 120.633 120.633 120.145 0.488 19431 3732 1 9 . 1 1 103 103 TYR HA H 103 5.311 5.311 5.541 -0.230 19431 3733 1 9 . 1 1 103 103 TYR CA C 103 55.519 55.519 55.020 0.499 19431 3734 1 9 . 1 1 103 103 TYR CB C 103 42.037 42.037 41.196 0.841 19431 3735 1 9 . 1 1 104 104 ASP N N 104 118.129 118.129 119.590 -1.461 19431 3736 1 9 . 1 1 104 104 ASP HA H 104 5.163 5.163 4.750 0.413 19431 3737 1 9 . 1 1 104 104 ASP CA C 104 49.372 49.372 52.915 -3.543 19431 3738 1 9 . 1 1 104 104 ASP CB C 104 39.054 39.054 41.535 -2.481 19431 3739 1 9 . 1 1 105 105 GLU N N 105 115.031 115.031 116.873 -1.842 19431 3740 1 9 . 1 1 105 105 GLU HA H 105 3.624 3.624 4.297 -0.673 19431 3741 1 9 . 1 1 105 105 GLU CA C 105 55.976 55.976 58.194 -2.218 19431 3742 1 9 . 1 1 105 105 GLU CB C 105 27.111 27.111 29.645 -2.534 19431 3743 1 9 . 1 1 106 106 ASP N N 106 119.038 119.038 117.713 1.325 19431 3744 1 9 . 1 1 107 107 MET N N 107 111.995 111.995 112.676 -0.681 19431 3745 1 9 . 1 1 107 107 MET HA H 107 4.343 4.343 4.329 0.014 19431 3746 1 9 . 1 1 107 107 MET CA C 107 51.671 51.671 55.217 -3.546 19431 3747 1 9 . 1 1 107 107 MET CB C 107 21.629 21.629 35.055 -13.426 19431 3748 1 9 . 1 1 108 108 ASN N N 108 117.079 117.079 120.539 -3.460 19431 3749 1 9 . 1 1 108 108 ASN HA H 108 5.111 5.111 5.258 -0.147 19431 3750 1 9 . 1 1 108 108 ASN CA C 108 49.519 49.519 52.811 -3.292 19431 3751 1 9 . 1 1 108 108 ASN CB C 108 37.221 37.221 40.322 -3.101 19431 3752 1 9 . 1 1 109 109 LEU N N 109 122.211 122.211 123.546 -1.335 19431 3753 1 9 . 1 1 109 109 LEU HA H 109 4.020 4.020 4.144 -0.124 19431 3754 1 9 . 1 1 109 109 LEU CA C 109 52.898 52.898 56.440 -3.542 19431 3755 1 9 . 1 1 109 109 LEU CB C 109 40.774 40.774 41.618 -0.844 19431 3756 1 9 . 1 1 110 110 VAL N N 110 109.806 109.806 123.976 -14.170 19431 3757 1 9 . 1 1 110 110 VAL HA H 110 4.551 4.551 4.412 0.139 19431 3758 1 9 . 1 1 110 110 VAL CA C 110 57.276 57.276 62.493 -5.217 19431 3759 1 9 . 1 1 110 110 VAL CB C 110 30.242 30.242 33.828 -3.586 19431 3760 1 9 . 1 1 111 111 SER N N 111 113.487 113.487 115.740 -2.253 19431 3761 1 9 . 1 1 111 111 SER HA H 111 4.476 4.476 4.743 -0.267 19431 3762 1 9 . 1 1 111 111 SER CA C 111 55.637 55.637 58.213 -2.576 19431 3763 1 9 . 1 1 111 111 SER CB C 111 61.288 61.288 64.722 -3.434 19431 3764 1 9 . 1 1 112 112 PHE N N 112 126.988 126.988 126.812 0.176 19431 3765 1 9 . 1 1 112 112 PHE HA H 112 4.991 4.991 4.987 0.004 19431 3766 1 9 . 1 1 112 112 PHE CA C 112 55.305 55.305 56.776 -1.472 19431 3767 1 9 . 1 1 112 112 PHE CB C 112 40.128 40.128 42.348 -2.220 19431 3768 1 9 . 1 1 113 113 THR N N 113 120.333 120.333 121.229 -0.896 19431 3769 1 9 . 1 1 113 113 THR HA H 113 4.775 4.775 4.572 0.203 19431 3770 1 9 . 1 1 113 113 THR CA C 113 57.888 57.888 60.739 -2.851 19431 3771 1 9 . 1 1 113 113 THR CB C 113 69.193 69.193 71.519 -2.326 19431 3772 1 10 . 1 1 2 2 GLU HA H 2 4.446 4.446 4.552 -0.106 19431 3773 1 10 . 1 1 2 2 GLU CA C 2 53.359 53.359 54.796 -1.437 19431 3774 1 10 . 1 1 2 2 GLU CB C 2 29.108 29.108 31.750 -2.642 19431 3775 1 10 . 1 1 3 3 ILE N N 3 123.144 123.144 121.650 1.494 19431 3776 1 10 . 1 1 3 3 ILE HA H 3 4.358 4.358 4.413 -0.055 19431 3777 1 10 . 1 1 3 3 ILE CA C 3 57.727 57.727 59.317 -1.590 19431 3778 1 10 . 1 1 3 3 ILE CB C 3 35.665 35.665 36.389 -0.724 19431 3779 1 10 . 1 1 4 4 LEU N N 4 127.461 127.461 128.341 -0.880 19431 3780 1 10 . 1 1 4 4 LEU HA H 4 4.554 4.554 4.401 0.153 19431 3781 1 10 . 1 1 4 4 LEU CA C 4 51.011 51.011 55.435 -4.424 19431 3782 1 10 . 1 1 4 4 LEU CB C 4 41.209 41.209 42.734 -1.526 19431 3783 1 10 . 1 1 5 5 LYS N N 5 121.611 121.611 115.998 5.613 19431 3784 1 10 . 1 1 5 5 LYS HA H 5 4.436 4.436 4.411 0.025 19431 3785 1 10 . 1 1 5 5 LYS CA C 5 53.150 53.150 56.032 -2.882 19431 3786 1 10 . 1 1 5 5 LYS CB C 5 29.359 29.359 32.057 -2.698 19431 3787 1 10 . 1 1 6 6 GLU N N 6 115.825 115.825 115.724 0.101 19431 3788 1 10 . 1 1 6 6 GLU HA H 6 4.269 4.269 4.637 -0.368 19431 3789 1 10 . 1 1 6 6 GLU CA C 6 51.331 51.331 54.796 -3.465 19431 3790 1 10 . 1 1 6 6 GLU CB C 6 29.583 29.583 32.008 -2.425 19431 3791 1 10 . 1 1 7 7 LEU N N 7 118.967 118.967 122.390 -3.423 19431 3792 1 10 . 1 1 7 7 LEU HA H 7 4.311 4.311 4.728 -0.417 19431 3793 1 10 . 1 1 7 7 LEU CA C 7 50.182 50.182 53.085 -2.903 19431 3794 1 10 . 1 1 7 7 LEU CB C 7 39.422 39.422 41.597 -2.175 19431 3795 1 10 . 1 1 8 8 PRO HA H 8 4.432 4.432 4.674 -0.242 19431 3796 1 10 . 1 1 8 8 PRO CA C 8 59.119 59.119 62.046 -2.927 19431 3797 1 10 . 1 1 8 8 PRO CB C 8 29.306 29.306 32.565 -3.259 19431 3798 1 10 . 1 1 9 9 GLU N N 9 121.059 121.059 119.621 1.438 19431 3799 1 10 . 1 1 9 9 GLU HA H 9 4.033 4.033 3.981 0.052 19431 3800 1 10 . 1 1 9 9 GLU CA C 9 55.281 55.281 57.804 -2.523 19431 3801 1 10 . 1 1 9 9 GLU CB C 9 26.864 26.864 29.340 -2.475 19431 3802 1 10 . 1 1 10 10 GLY N N 10 112.279 112.279 111.064 1.215 19431 3803 1 10 . 1 1 10 10 GLY CA C 10 42.029 42.029 44.587 -2.558 19431 3804 1 10 . 1 1 11 11 PHE N N 11 117.612 117.612 119.342 -1.730 19431 3805 1 10 . 1 1 11 11 PHE HA H 11 4.660 4.660 4.766 -0.106 19431 3806 1 10 . 1 1 11 11 PHE CA C 11 54.280 54.280 56.328 -2.047 19431 3807 1 10 . 1 1 11 11 PHE CB C 11 39.721 39.721 40.507 -0.786 19431 3808 1 10 . 1 1 12 12 ASP N N 12 121.568 121.568 119.943 1.625 19431 3809 1 10 . 1 1 12 12 ASP HA H 12 4.875 4.875 4.736 0.139 19431 3810 1 10 . 1 1 12 12 ASP CA C 12 49.676 49.676 53.001 -3.325 19431 3811 1 10 . 1 1 12 12 ASP CB C 12 42.307 42.307 43.239 -0.931 19431 3812 1 10 . 1 1 13 13 LYS N N 13 125.770 125.770 124.670 1.100 19431 3813 1 10 . 1 1 13 13 LYS HA H 13 3.294 3.294 3.274 0.020 19431 3814 1 10 . 1 1 13 13 LYS CA C 13 58.046 58.046 59.930 -1.884 19431 3815 1 10 . 1 1 13 13 LYS CB C 13 30.216 30.216 32.222 -2.006 19431 3816 1 10 . 1 1 14 14 GLU N N 14 118.590 118.590 118.382 0.208 19431 3817 1 10 . 1 1 14 14 GLU HA H 14 4.090 4.090 4.306 -0.216 19431 3818 1 10 . 1 1 14 14 GLU CA C 14 56.364 56.364 58.867 -2.502 19431 3819 1 10 . 1 1 14 14 GLU CB C 14 26.479 26.479 29.604 -3.125 19431 3820 1 10 . 1 1 15 15 THR N N 15 118.372 118.372 118.424 -0.052 19431 3821 1 10 . 1 1 15 15 THR HA H 15 3.737 3.737 4.047 -0.310 19431 3822 1 10 . 1 1 15 15 THR CA C 15 63.974 63.974 67.044 -3.070 19431 3823 1 10 . 1 1 15 15 THR CB C 15 65.565 65.565 68.846 -3.281 19431 3824 1 10 . 1 1 16 16 VAL N N 16 121.083 121.083 121.433 -0.350 19431 3825 1 10 . 1 1 16 16 VAL HA H 16 3.329 3.329 4.092 -0.763 19431 3826 1 10 . 1 1 16 16 VAL CA C 16 64.214 64.214 65.772 -1.558 19431 3827 1 10 . 1 1 16 16 VAL CB C 16 29.011 29.011 31.355 -2.344 19431 3828 1 10 . 1 1 17 17 ARG N N 17 119.409 119.409 120.537 -1.128 19431 3829 1 10 . 1 1 17 17 ARG HA H 17 3.737 3.737 3.942 -0.205 19431 3830 1 10 . 1 1 17 17 ARG CA C 17 58.049 58.049 60.063 -2.014 19431 3831 1 10 . 1 1 17 17 ARG CB C 17 27.401 27.401 30.231 -2.830 19431 3832 1 10 . 1 1 18 18 LYS N N 18 116.168 116.168 119.050 -2.882 19431 3833 1 10 . 1 1 18 18 LYS HA H 18 3.800 3.800 4.036 -0.236 19431 3834 1 10 . 1 1 18 18 LYS CA C 18 57.031 57.031 59.225 -2.194 19431 3835 1 10 . 1 1 18 18 LYS CB C 18 29.801 29.801 32.070 -2.269 19431 3836 1 10 . 1 1 19 19 GLN N N 19 120.008 120.008 118.598 1.410 19431 3837 1 10 . 1 1 19 19 GLN HA H 19 3.767 3.767 4.305 -0.538 19431 3838 1 10 . 1 1 19 19 GLN CA C 19 54.492 54.492 58.651 -4.159 19431 3839 1 10 . 1 1 19 19 GLN CB C 19 26.490 26.490 28.613 -2.123 19431 3840 1 10 . 1 1 20 20 ALA N N 20 122.405 122.405 120.810 1.595 19431 3841 1 10 . 1 1 20 20 ALA HA H 20 4.404 4.404 4.304 0.100 19431 3842 1 10 . 1 1 20 20 ALA CA C 20 52.036 52.036 54.780 -2.744 19431 3843 1 10 . 1 1 20 20 ALA CB C 20 16.407 16.407 18.218 -1.812 19431 3844 1 10 . 1 1 21 21 MET N N 21 115.042 115.042 117.943 -2.901 19431 3845 1 10 . 1 1 21 21 MET HA H 21 3.354 3.354 3.532 -0.178 19431 3846 1 10 . 1 1 21 21 MET CA C 21 56.861 56.861 58.948 -2.087 19431 3847 1 10 . 1 1 21 21 MET CB C 21 30.538 30.538 32.213 -1.675 19431 3848 1 10 . 1 1 22 22 GLU N N 22 118.882 118.882 119.926 -1.044 19431 3849 1 10 . 1 1 22 22 GLU HA H 22 3.923 3.923 4.068 -0.145 19431 3850 1 10 . 1 1 22 22 GLU CA C 22 56.675 56.675 59.183 -2.508 19431 3851 1 10 . 1 1 22 22 GLU CB C 22 26.613 26.613 29.422 -2.809 19431 3852 1 10 . 1 1 23 23 ASP N N 23 122.549 122.549 119.344 3.205 19431 3853 1 10 . 1 1 23 23 ASP HA H 23 4.658 4.658 4.486 0.172 19431 3854 1 10 . 1 1 23 23 ASP CA C 23 55.053 55.053 57.396 -2.343 19431 3855 1 10 . 1 1 23 23 ASP CB C 23 37.479 37.479 40.816 -3.337 19431 3856 1 10 . 1 1 24 24 ILE N N 24 123.580 123.580 118.948 4.632 19431 3857 1 10 . 1 1 24 24 ILE HA H 24 3.678 3.678 3.482 0.196 19431 3858 1 10 . 1 1 24 24 ILE CA C 24 63.201 63.201 65.461 -2.260 19431 3859 1 10 . 1 1 24 24 ILE CB C 24 35.138 35.138 37.807 -2.669 19431 3860 1 10 . 1 1 25 25 GLU N N 25 120.591 120.591 119.826 0.765 19431 3861 1 10 . 1 1 25 25 GLU HA H 25 3.885 3.885 3.979 -0.094 19431 3862 1 10 . 1 1 25 25 GLU CA C 25 57.824 57.824 59.527 -1.703 19431 3863 1 10 . 1 1 25 25 GLU CB C 25 25.883 25.883 29.667 -3.784 19431 3864 1 10 . 1 1 26 26 ILE N N 26 121.350 121.350 119.365 1.985 19431 3865 1 10 . 1 1 26 26 ILE HA H 26 3.718 3.718 3.881 -0.163 19431 3866 1 10 . 1 1 26 26 ILE CA C 26 62.881 62.881 64.810 -1.929 19431 3867 1 10 . 1 1 26 26 ILE CB C 26 35.324 35.324 37.703 -2.379 19431 3868 1 10 . 1 1 27 27 ALA N N 27 120.204 120.204 123.262 -3.058 19431 3869 1 10 . 1 1 28 28 GLN N N 28 114.627 114.627 118.489 -3.862 19431 3870 1 10 . 1 1 28 28 GLN CB C 28 26.380 26.380 28.633 -2.253 19431 3871 1 10 . 1 1 29 29 SER N N 29 115.031 115.031 113.361 1.670 19431 3872 1 10 . 1 1 29 29 SER HA H 29 4.260 4.260 4.241 0.019 19431 3873 1 10 . 1 1 29 29 SER CA C 29 57.768 57.768 59.350 -1.582 19431 3874 1 10 . 1 1 29 29 SER CB C 29 61.367 61.367 63.220 -1.853 19431 3875 1 10 . 1 1 30 30 LYS N N 30 112.834 112.834 118.116 -5.282 19431 3876 1 10 . 1 1 30 30 LYS HA H 30 4.228 4.228 3.887 0.341 19431 3877 1 10 . 1 1 30 30 LYS CA C 30 56.103 56.103 57.158 -1.055 19431 3878 1 10 . 1 1 30 30 LYS CB C 30 26.478 26.478 29.497 -3.019 19431 3879 1 10 . 1 1 31 31 ASP N N 31 121.067 121.067 119.110 1.957 19431 3880 1 10 . 1 1 31 31 ASP HA H 31 4.877 4.877 4.304 0.573 19431 3881 1 10 . 1 1 31 31 ASP CA C 31 49.742 49.742 53.944 -4.202 19431 3882 1 10 . 1 1 31 31 ASP CB C 31 38.652 38.652 42.926 -4.274 19431 3883 1 10 . 1 1 32 32 TYR N N 32 126.671 126.671 119.923 6.748 19431 3884 1 10 . 1 1 32 32 TYR HA H 32 3.311 3.311 4.670 -1.359 19431 3885 1 10 . 1 1 32 32 TYR CA C 32 57.951 57.951 60.367 -2.416 19431 3886 1 10 . 1 1 32 32 TYR CB C 32 36.158 36.158 39.137 -2.979 19431 3887 1 10 . 1 1 33 33 GLU N N 33 115.884 115.884 120.277 -4.393 19431 3888 1 10 . 1 1 33 33 GLU HA H 33 3.442 3.442 4.104 -0.662 19431 3889 1 10 . 1 1 33 33 GLU CA C 33 56.757 56.757 59.471 -2.714 19431 3890 1 10 . 1 1 33 33 GLU CB C 33 26.095 26.095 28.715 -2.620 19431 3891 1 10 . 1 1 34 34 SER N N 34 116.060 116.060 114.446 1.614 19431 3892 1 10 . 1 1 34 34 SER HA H 34 4.026 4.026 4.330 -0.304 19431 3893 1 10 . 1 1 34 34 SER CA C 34 58.953 58.953 60.384 -1.431 19431 3894 1 10 . 1 1 34 34 SER CB C 34 59.683 59.683 63.030 -3.347 19431 3895 1 10 . 1 1 35 35 TRP N N 35 123.977 123.977 124.247 -0.270 19431 3896 1 10 . 1 1 35 35 TRP CA C 35 57.894 57.894 59.361 -1.467 19431 3897 1 10 . 1 1 35 35 TRP CB C 35 25.531 25.531 30.378 -4.847 19431 3898 1 10 . 1 1 36 36 LYS N N 36 117.633 117.633 120.760 -3.127 19431 3899 1 10 . 1 1 36 36 LYS HA H 36 3.128 3.128 3.768 -0.640 19431 3900 1 10 . 1 1 36 36 LYS CA C 36 55.998 55.998 59.626 -3.628 19431 3901 1 10 . 1 1 36 36 LYS CB C 36 29.304 29.304 32.031 -2.727 19431 3902 1 10 . 1 1 37 37 SER N N 37 109.835 109.835 114.355 -4.520 19431 3903 1 10 . 1 1 37 37 SER HA H 37 3.989 3.989 4.166 -0.177 19431 3904 1 10 . 1 1 37 37 SER CA C 37 57.765 57.765 61.020 -3.255 19431 3905 1 10 . 1 1 37 37 SER CB C 37 60.606 60.606 62.886 -2.280 19431 3906 1 10 . 1 1 38 38 ARG N N 38 119.946 119.946 119.275 0.671 19431 3907 1 10 . 1 1 38 38 ARG HA H 38 4.144 4.144 4.132 0.012 19431 3908 1 10 . 1 1 38 38 ARG CA C 38 51.208 51.208 57.022 -5.814 19431 3909 1 10 . 1 1 38 38 ARG CB C 38 25.717 25.717 30.442 -4.725 19431 3910 1 10 . 1 1 39 39 PHE N N 39 117.529 117.529 116.929 0.600 19431 3911 1 10 . 1 1 39 39 PHE HA H 39 4.855 4.855 4.879 -0.024 19431 3912 1 10 . 1 1 39 39 PHE CA C 39 54.234 54.234 58.459 -4.225 19431 3913 1 10 . 1 1 39 39 PHE CB C 39 37.547 37.547 39.809 -2.262 19431 3914 1 10 . 1 1 40 40 THR N N 40 113.296 113.296 114.294 -0.998 19431 3915 1 10 . 1 1 40 40 THR HA H 40 3.991 3.991 4.256 -0.265 19431 3916 1 10 . 1 1 40 40 THR CA C 40 59.704 59.704 62.193 -2.489 19431 3917 1 10 . 1 1 40 40 THR CB C 40 66.175 66.175 70.125 -3.950 19431 3918 1 10 . 1 1 41 41 LYS N N 41 124.924 124.924 122.092 2.832 19431 3919 1 10 . 1 1 41 41 LYS HA H 41 3.713 3.713 4.006 -0.293 19431 3920 1 10 . 1 1 41 41 LYS CA C 41 57.650 57.650 60.233 -2.583 19431 3921 1 10 . 1 1 41 41 LYS CB C 41 29.363 29.363 32.062 -2.699 19431 3922 1 10 . 1 1 42 42 ASP N N 42 116.255 116.255 119.758 -3.503 19431 3923 1 10 . 1 1 42 42 ASP HA H 42 4.343 4.343 4.504 -0.161 19431 3924 1 10 . 1 1 42 42 ASP CA C 42 53.841 53.841 56.746 -2.905 19431 3925 1 10 . 1 1 42 42 ASP CB C 42 37.703 37.703 40.761 -3.058 19431 3926 1 10 . 1 1 43 43 LEU N N 43 119.134 119.134 120.694 -1.560 19431 3927 1 10 . 1 1 43 43 LEU HA H 43 4.320 4.320 3.889 0.431 19431 3928 1 10 . 1 1 43 43 LEU CA C 43 52.423 52.423 57.367 -4.944 19431 3929 1 10 . 1 1 43 43 LEU CB C 43 40.023 40.023 41.860 -1.837 19431 3930 1 10 . 1 1 44 44 GLN N N 44 119.455 119.455 116.647 2.808 19431 3931 1 10 . 1 1 44 44 GLN HA H 44 3.466 3.466 3.944 -0.478 19431 3932 1 10 . 1 1 44 44 GLN CA C 44 57.437 57.437 58.430 -0.993 19431 3933 1 10 . 1 1 44 44 GLN CB C 44 25.394 25.394 28.826 -3.432 19431 3934 1 10 . 1 1 45 45 SER N N 45 110.605 110.605 111.803 -1.198 19431 3935 1 10 . 1 1 45 45 SER HA H 45 4.211 4.211 4.532 -0.321 19431 3936 1 10 . 1 1 45 45 SER CA C 45 57.621 57.621 58.709 -1.088 19431 3937 1 10 . 1 1 45 45 SER CB C 45 60.094 60.094 63.879 -3.784 19431 3938 1 10 . 1 1 46 46 SER N N 46 115.075 115.075 116.148 -1.073 19431 3939 1 10 . 1 1 46 46 SER HA H 46 4.473 4.473 4.558 -0.085 19431 3940 1 10 . 1 1 46 46 SER CA C 46 55.739 55.739 58.156 -2.417 19431 3941 1 10 . 1 1 46 46 SER CB C 46 61.628 61.628 64.418 -2.791 19431 3942 1 10 . 1 1 47 47 LEU N N 47 124.984 124.984 122.765 2.219 19431 3943 1 10 . 1 1 47 47 LEU HA H 47 4.334 4.334 4.157 0.177 19431 3944 1 10 . 1 1 47 47 LEU CA C 47 52.040 52.040 55.149 -3.109 19431 3945 1 10 . 1 1 47 47 LEU CB C 47 39.810 39.810 42.400 -2.590 19431 3946 1 10 . 1 1 48 48 THR N N 48 111.152 111.152 112.250 -1.098 19431 3947 1 10 . 1 1 48 48 THR HA H 48 4.665 4.665 4.662 0.003 19431 3948 1 10 . 1 1 48 48 THR CA C 48 56.718 56.718 59.954 -3.236 19431 3949 1 10 . 1 1 48 48 THR CB C 48 69.103 69.103 71.076 -1.973 19431 3950 1 10 . 1 1 49 49 GLU N N 49 124.552 124.552 123.509 1.043 19431 3951 1 10 . 1 1 49 49 GLU HA H 49 3.194 3.194 4.235 -1.041 19431 3952 1 10 . 1 1 49 49 GLU CA C 49 56.770 56.770 59.701 -2.931 19431 3953 1 10 . 1 1 49 49 GLU CB C 49 26.148 26.148 29.328 -3.180 19431 3954 1 10 . 1 1 50 50 GLU N N 50 118.615 118.615 119.540 -0.925 19431 3955 1 10 . 1 1 50 50 GLU HA H 50 4.000 4.000 3.998 0.002 19431 3956 1 10 . 1 1 50 50 GLU CA C 50 57.357 57.357 59.054 -1.697 19431 3957 1 10 . 1 1 50 50 GLU CB C 50 26.511 26.511 29.234 -2.723 19431 3958 1 10 . 1 1 51 51 SER N N 51 116.380 116.380 114.473 1.907 19431 3959 1 10 . 1 1 51 51 SER HA H 51 4.256 4.256 4.411 -0.155 19431 3960 1 10 . 1 1 51 51 SER CA C 51 58.825 58.825 60.685 -1.860 19431 3961 1 10 . 1 1 51 51 SER CB C 51 59.884 59.884 63.250 -3.366 19431 3962 1 10 . 1 1 52 52 TYR N N 52 125.611 125.611 114.916 10.695 19431 3963 1 10 . 1 1 52 52 TYR CB C 52 36.647 36.647 39.366 -2.719 19431 3964 1 10 . 1 1 53 53 ASP N N 53 119.653 119.653 121.238 -1.585 19431 3965 1 10 . 1 1 53 53 ASP HA H 53 4.115 4.115 4.483 -0.368 19431 3966 1 10 . 1 1 53 53 ASP CA C 53 54.553 54.553 55.218 -0.665 19431 3967 1 10 . 1 1 53 53 ASP CB C 53 37.477 37.477 41.992 -4.515 19431 3968 1 10 . 1 1 54 54 SER N N 54 114.883 114.883 116.677 -1.794 19431 3969 1 10 . 1 1 54 54 SER HA H 54 3.946 3.946 4.195 -0.249 19431 3970 1 10 . 1 1 54 54 SER CA C 54 59.741 59.741 60.946 -1.205 19431 3971 1 10 . 1 1 54 54 SER CB C 54 59.750 59.750 63.370 -3.620 19431 3972 1 10 . 1 1 55 55 TYR N N 55 123.933 123.933 122.326 1.607 19431 3973 1 10 . 1 1 55 55 TYR HA H 55 4.361 4.361 4.240 0.121 19431 3974 1 10 . 1 1 55 55 TYR CA C 55 57.213 57.213 61.227 -4.014 19431 3975 1 10 . 1 1 55 55 TYR CB C 55 34.024 34.024 38.292 -4.268 19431 3976 1 10 . 1 1 56 56 LEU N N 56 119.758 119.758 118.552 1.206 19431 3977 1 10 . 1 1 56 56 LEU HA H 56 3.252 3.252 3.560 -0.308 19431 3978 1 10 . 1 1 56 56 LEU CA C 56 54.681 54.681 57.136 -2.455 19431 3979 1 10 . 1 1 56 56 LEU CB C 56 38.151 38.151 41.258 -3.107 19431 3980 1 10 . 1 1 57 57 LYS N N 57 118.487 118.487 119.527 -1.040 19431 3981 1 10 . 1 1 57 57 LYS HA H 57 3.852 3.852 3.943 -0.091 19431 3982 1 10 . 1 1 57 57 LYS CA C 57 56.090 56.090 59.104 -3.014 19431 3983 1 10 . 1 1 57 57 LYS CB C 57 29.683 29.683 31.985 -2.302 19431 3984 1 10 . 1 1 58 58 ILE N N 58 120.887 120.887 118.848 2.039 19431 3985 1 10 . 1 1 58 58 ILE HA H 58 3.591 3.591 3.711 -0.120 19431 3986 1 10 . 1 1 58 58 ILE CA C 58 61.366 61.366 64.559 -3.193 19431 3987 1 10 . 1 1 58 58 ILE CB C 58 35.144 35.144 37.941 -2.797 19431 3988 1 10 . 1 1 59 59 LEU N N 59 122.273 122.273 120.786 1.487 19431 3989 1 10 . 1 1 59 59 LEU HA H 59 3.437 3.437 3.651 -0.214 19431 3990 1 10 . 1 1 59 59 LEU CA C 59 54.847 54.847 57.933 -3.086 19431 3991 1 10 . 1 1 59 59 LEU CB C 59 39.071 39.071 41.394 -2.323 19431 3992 1 10 . 1 1 60 60 GLU N N 60 118.591 118.591 116.544 2.047 19431 3993 1 10 . 1 1 60 60 GLU HA H 60 3.810 3.810 3.968 -0.158 19431 3994 1 10 . 1 1 60 60 GLU CA C 60 56.156 56.156 58.800 -2.644 19431 3995 1 10 . 1 1 60 60 GLU CB C 60 26.820 26.820 29.799 -2.979 19431 3996 1 10 . 1 1 61 61 LYS N N 61 115.698 115.698 114.571 1.127 19431 3997 1 10 . 1 1 61 61 LYS HA H 61 4.029 4.029 4.366 -0.337 19431 3998 1 10 . 1 1 61 61 LYS CA C 61 54.164 54.164 56.412 -2.248 19431 3999 1 10 . 1 1 61 61 LYS CB C 61 29.581 29.581 32.203 -2.622 19431 4000 1 10 . 1 1 62 62 GLN N N 62 114.863 114.863 118.642 -3.779 19431 4001 1 10 . 1 1 62 62 GLN HA H 62 3.851 3.851 4.291 -0.440 19431 4002 1 10 . 1 1 62 62 GLN CA C 62 52.258 52.258 55.210 -2.952 19431 4003 1 10 . 1 1 62 62 GLN CB C 62 25.186 25.186 29.051 -3.865 19431 4004 1 10 . 1 1 63 63 GLY N N 63 101.724 101.724 107.187 -5.463 19431 4005 1 10 . 1 1 63 63 GLY CA C 63 41.815 41.815 44.773 -2.958 19431 4006 1 10 . 1 1 64 64 GLU N N 64 118.731 118.731 121.446 -2.715 19431 4007 1 10 . 1 1 64 64 GLU HA H 64 4.137 4.137 4.809 -0.672 19431 4008 1 10 . 1 1 64 64 GLU CA C 64 54.598 54.598 53.973 0.625 19431 4009 1 10 . 1 1 64 64 GLU CB C 64 28.312 28.312 32.413 -4.101 19431 4010 1 10 . 1 1 65 65 PHE N N 65 123.366 123.366 125.324 -1.958 19431 4011 1 10 . 1 1 65 65 PHE HA H 65 3.825 3.825 3.719 0.106 19431 4012 1 10 . 1 1 65 65 PHE CA C 65 57.419 57.419 57.231 0.188 19431 4013 1 10 . 1 1 65 65 PHE CB C 65 36.666 36.666 38.733 -2.067 19431 4014 1 10 . 1 1 66 66 LYS N N 66 125.336 125.336 126.619 -1.283 19431 4015 1 10 . 1 1 66 66 LYS HA H 66 4.168 4.168 4.037 0.131 19431 4016 1 10 . 1 1 66 66 LYS CA C 66 53.226 53.226 55.926 -2.700 19431 4017 1 10 . 1 1 66 66 LYS CB C 66 30.293 30.293 33.945 -3.652 19431 4018 1 10 . 1 1 67 67 GLU N N 67 112.076 112.076 117.449 -5.373 19431 4019 1 10 . 1 1 67 67 GLU HA H 67 4.069 4.069 4.061 0.008 19431 4020 1 10 . 1 1 67 67 GLU CA C 67 52.907 52.907 56.134 -3.227 19431 4021 1 10 . 1 1 67 67 GLU CB C 67 29.378 29.378 31.634 -2.256 19431 4022 1 10 . 1 1 68 68 PHE N N 68 118.706 118.706 120.277 -1.571 19431 4023 1 10 . 1 1 68 68 PHE CB C 68 38.408 38.408 40.388 -1.980 19431 4024 1 10 . 1 1 69 69 GLY N N 69 112.889 112.889 108.800 4.089 19431 4025 1 10 . 1 1 69 69 GLY CA C 69 41.353 41.353 44.440 -3.087 19431 4026 1 10 . 1 1 70 70 LYS N N 70 122.409 122.409 120.182 2.227 19431 4027 1 10 . 1 1 70 70 LYS HA H 70 4.085 4.085 4.573 -0.488 19431 4028 1 10 . 1 1 70 70 LYS CA C 70 54.418 54.418 56.474 -2.056 19431 4029 1 10 . 1 1 70 70 LYS CB C 70 31.197 31.197 33.765 -2.568 19431 4030 1 10 . 1 1 71 71 CYS N N 71 118.509 118.509 121.104 -2.595 19431 4031 1 10 . 1 1 71 71 CYS HA H 71 5.332 5.332 5.365 -0.033 19431 4032 1 10 . 1 1 71 71 CYS CA C 71 54.655 54.655 56.221 -1.567 19431 4033 1 10 . 1 1 71 71 CYS CB C 71 28.223 28.223 28.198 0.025 19431 4034 1 10 . 1 1 72 72 THR N N 72 120.129 120.129 121.039 -0.910 19431 4035 1 10 . 1 1 72 72 THR HA H 72 4.272 4.272 4.280 -0.008 19431 4036 1 10 . 1 1 72 72 THR CA C 72 58.652 58.652 62.093 -3.441 19431 4037 1 10 . 1 1 72 72 THR CB C 72 68.199 68.199 69.835 -1.637 19431 4038 1 10 . 1 1 73 73 TYR N N 73 122.772 122.772 122.987 -0.215 19431 4039 1 10 . 1 1 73 73 TYR HA H 73 5.034 5.034 5.220 -0.186 19431 4040 1 10 . 1 1 73 73 TYR CA C 73 55.497 55.497 56.814 -1.317 19431 4041 1 10 . 1 1 73 73 TYR CB C 73 38.271 38.271 41.073 -2.802 19431 4042 1 10 . 1 1 74 74 LEU N N 74 117.980 117.980 118.016 -0.036 19431 4043 1 10 . 1 1 74 74 LEU HA H 74 4.466 4.466 5.233 -0.767 19431 4044 1 10 . 1 1 74 74 LEU CA C 74 51.805 51.805 53.080 -1.274 19431 4045 1 10 . 1 1 74 74 LEU CB C 74 42.030 42.030 45.858 -3.828 19431 4046 1 10 . 1 1 75 75 GLY N N 75 105.257 105.257 105.431 -0.174 19431 4047 1 10 . 1 1 75 75 GLY CA C 75 42.799 42.799 44.296 -1.497 19431 4048 1 10 . 1 1 76 76 GLN N N 76 119.071 119.071 115.072 3.999 19431 4049 1 10 . 1 1 76 76 GLN HA H 76 4.938 4.938 4.914 0.024 19431 4050 1 10 . 1 1 76 76 GLN CA C 76 52.495 52.495 54.880 -2.385 19431 4051 1 10 . 1 1 76 76 GLN CB C 76 30.498 30.498 32.442 -1.944 19431 4052 1 10 . 1 1 77 77 ILE N N 77 123.550 123.550 121.917 1.633 19431 4053 1 10 . 1 1 77 77 ILE HA H 77 4.992 4.992 5.138 -0.146 19431 4054 1 10 . 1 1 77 77 ILE CA C 77 57.239 57.239 60.361 -3.122 19431 4055 1 10 . 1 1 77 77 ILE CB C 77 36.664 36.664 40.305 -3.641 19431 4056 1 10 . 1 1 78 78 LYS N N 78 127.532 127.532 127.761 -0.229 19431 4057 1 10 . 1 1 78 78 LYS HA H 78 4.585 4.585 4.533 0.052 19431 4058 1 10 . 1 1 78 78 LYS CA C 78 52.768 52.768 55.553 -2.785 19431 4059 1 10 . 1 1 78 78 LYS CB C 78 32.536 32.536 33.459 -0.923 19431 4060 1 10 . 1 1 79 79 ASP N N 79 128.019 128.019 126.852 1.167 19431 4061 1 10 . 1 1 79 79 ASP HA H 79 4.168 4.168 4.287 -0.119 19431 4062 1 10 . 1 1 79 79 ASP CA C 79 53.258 53.258 57.045 -3.787 19431 4063 1 10 . 1 1 79 79 ASP CB C 79 36.826 36.826 39.849 -3.023 19431 4064 1 10 . 1 1 80 80 ASN N N 80 110.608 110.608 117.565 -6.957 19431 4065 1 10 . 1 1 80 80 ASN HA H 80 4.168 4.168 4.792 -0.624 19431 4066 1 10 . 1 1 80 80 ASN CA C 80 51.912 51.912 53.331 -1.419 19431 4067 1 10 . 1 1 80 80 ASN CB C 80 35.506 35.506 41.190 -5.684 19431 4068 1 10 . 1 1 81 81 LYS N N 81 121.116 121.116 122.081 -0.965 19431 4069 1 10 . 1 1 81 81 LYS HA H 81 4.482 4.482 4.434 0.048 19431 4070 1 10 . 1 1 81 81 LYS CA C 81 52.353 52.353 55.399 -3.046 19431 4071 1 10 . 1 1 81 81 LYS CB C 81 32.119 32.119 34.649 -2.530 19431 4072 1 10 . 1 1 82 82 LYS N N 82 119.259 119.259 121.873 -2.614 19431 4073 1 10 . 1 1 82 82 LYS HA H 82 4.765 4.765 5.214 -0.449 19431 4074 1 10 . 1 1 82 82 LYS CA C 82 52.722 52.722 55.497 -2.775 19431 4075 1 10 . 1 1 82 82 LYS CB C 82 32.934 32.934 35.368 -2.434 19431 4076 1 10 . 1 1 83 83 TYR N N 83 118.176 118.176 120.789 -2.613 19431 4077 1 10 . 1 1 83 83 TYR HA H 83 5.275 5.275 4.992 0.283 19431 4078 1 10 . 1 1 83 83 TYR CA C 83 53.383 53.383 56.689 -3.306 19431 4079 1 10 . 1 1 83 83 TYR CB C 83 38.026 38.026 43.216 -5.190 19431 4080 1 10 . 1 1 84 84 GLY N N 84 111.686 111.686 107.877 3.809 19431 4081 1 10 . 1 1 84 84 GLY CA C 84 41.219 41.219 42.920 -1.701 19431 4082 1 10 . 1 1 85 85 GLY N N 85 111.232 111.232 109.912 1.320 19431 4083 1 10 . 1 1 85 85 GLY CA C 85 42.272 42.272 43.178 -0.906 19431 4084 1 10 . 1 1 86 86 VAL N N 86 115.256 115.256 122.286 -7.030 19431 4085 1 10 . 1 1 86 86 VAL HA H 86 5.127 5.127 5.118 0.009 19431 4086 1 10 . 1 1 86 86 VAL CA C 86 55.741 55.741 59.810 -4.069 19431 4087 1 10 . 1 1 86 86 VAL CB C 86 33.129 33.129 35.748 -2.619 19431 4088 1 10 . 1 1 87 87 ILE N N 87 125.124 125.124 130.370 -5.246 19431 4089 1 10 . 1 1 87 87 ILE HA H 87 5.206 5.206 4.403 0.803 19431 4090 1 10 . 1 1 87 87 ILE CA C 87 57.168 57.168 60.725 -3.557 19431 4091 1 10 . 1 1 87 87 ILE CB C 87 36.590 36.590 37.413 -0.823 19431 4092 1 10 . 1 1 88 88 ILE N N 88 128.056 128.056 128.839 -0.783 19431 4093 1 10 . 1 1 88 88 ILE HA H 88 5.146 5.146 4.526 0.620 19431 4094 1 10 . 1 1 88 88 ILE CA C 88 55.356 55.356 59.752 -4.396 19431 4095 1 10 . 1 1 88 88 ILE CB C 88 39.847 39.847 39.373 0.473 19431 4096 1 10 . 1 1 89 89 VAL N N 89 128.326 128.326 130.191 -1.865 19431 4097 1 10 . 1 1 89 89 VAL HA H 89 4.387 4.387 4.466 -0.079 19431 4098 1 10 . 1 1 89 89 VAL CA C 89 59.839 59.839 62.778 -2.939 19431 4099 1 10 . 1 1 89 89 VAL CB C 89 30.295 30.295 32.371 -2.076 19431 4100 1 10 . 1 1 90 90 VAL N N 90 128.738 128.738 126.104 2.634 19431 4101 1 10 . 1 1 90 90 VAL HA H 90 4.207 4.207 4.804 -0.597 19431 4102 1 10 . 1 1 90 90 VAL CA C 90 59.722 59.722 61.006 -1.284 19431 4103 1 10 . 1 1 90 90 VAL CB C 90 31.537 31.537 35.841 -4.304 19431 4104 1 10 . 1 1 91 91 LYS N N 91 126.004 126.004 129.529 -3.525 19431 4105 1 10 . 1 1 91 91 LYS HA H 91 4.629 4.629 4.681 -0.052 19431 4106 1 10 . 1 1 91 91 LYS CA C 91 52.972 52.972 55.717 -2.745 19431 4107 1 10 . 1 1 91 91 LYS CB C 91 30.789 30.789 32.006 -1.217 19431 4108 1 10 . 1 1 92 92 TYR N N 92 123.932 123.932 125.115 -1.183 19431 4109 1 10 . 1 1 92 92 TYR HA H 92 4.940 4.940 4.737 0.203 19431 4110 1 10 . 1 1 92 92 TYR CA C 92 53.905 53.905 57.942 -4.037 19431 4111 1 10 . 1 1 92 92 TYR CB C 92 39.331 39.331 39.577 -0.246 19431 4112 1 10 . 1 1 93 93 GLU N N 93 122.195 122.195 119.053 3.142 19431 4113 1 10 . 1 1 93 93 GLU HA H 93 3.834 3.834 4.162 -0.328 19431 4114 1 10 . 1 1 93 93 GLU CA C 93 57.465 57.465 59.054 -1.589 19431 4115 1 10 . 1 1 93 93 GLU CB C 93 28.695 28.695 29.997 -1.302 19431 4116 1 10 . 1 1 94 94 GLU N N 94 110.219 110.219 115.002 -4.783 19431 4117 1 10 . 1 1 94 94 GLU HA H 94 4.440 4.440 4.567 -0.127 19431 4118 1 10 . 1 1 94 94 GLU CA C 94 52.555 52.555 56.123 -3.567 19431 4119 1 10 . 1 1 94 94 GLU CB C 94 26.861 26.861 32.175 -5.314 19431 4120 1 10 . 1 1 95 95 GLY N N 95 106.566 106.566 108.876 -2.310 19431 4121 1 10 . 1 1 95 95 GLY CA C 95 42.542 42.542 44.524 -1.982 19431 4122 1 10 . 1 1 96 96 ASN N N 96 116.707 116.707 120.391 -3.684 19431 4123 1 10 . 1 1 96 96 ASN HA H 96 5.720 5.720 5.968 -0.248 19431 4124 1 10 . 1 1 96 96 ASN CA C 96 49.003 49.003 52.531 -3.528 19431 4125 1 10 . 1 1 96 96 ASN CB C 96 37.602 37.602 40.532 -2.930 19431 4126 1 10 . 1 1 97 97 VAL N N 97 122.002 122.002 123.562 -1.560 19431 4127 1 10 . 1 1 97 97 VAL HA H 97 4.117 4.117 4.137 -0.020 19431 4128 1 10 . 1 1 97 97 VAL CA C 97 58.404 58.404 60.615 -2.212 19431 4129 1 10 . 1 1 97 97 VAL CB C 97 33.456 33.456 31.274 2.182 19431 4130 1 10 . 1 1 98 98 ASN N N 98 124.376 124.376 127.198 -2.822 19431 4131 1 10 . 1 1 98 98 ASN HA H 98 5.135 5.135 4.869 0.266 19431 4132 1 10 . 1 1 98 98 ASN CA C 98 48.630 48.630 52.500 -3.870 19431 4133 1 10 . 1 1 98 98 ASN CB C 98 36.031 36.031 38.230 -2.200 19431 4134 1 10 . 1 1 99 99 TYR N N 99 123.932 123.932 125.170 -1.238 19431 4135 1 10 . 1 1 99 99 TYR HA H 99 4.640 4.640 4.670 -0.030 19431 4136 1 10 . 1 1 99 99 TYR CA C 99 55.468 55.468 58.182 -2.714 19431 4137 1 10 . 1 1 99 99 TYR CB C 99 38.122 38.122 37.513 0.609 19431 4138 1 10 . 1 1 100 100 SER N N 100 115.327 115.327 119.756 -4.429 19431 4139 1 10 . 1 1 100 100 SER HA H 100 5.242 5.242 4.678 0.564 19431 4140 1 10 . 1 1 100 100 SER CA C 100 53.767 53.767 57.672 -3.905 19431 4141 1 10 . 1 1 100 100 SER CB C 100 60.649 60.649 62.079 -1.430 19431 4142 1 10 . 1 1 101 101 LEU N N 101 130.521 130.521 127.645 2.876 19431 4143 1 10 . 1 1 101 101 LEU HA H 101 4.978 4.978 4.898 0.080 19431 4144 1 10 . 1 1 101 101 LEU CA C 101 51.756 51.756 54.009 -2.253 19431 4145 1 10 . 1 1 101 101 LEU CB C 101 42.765 42.765 42.549 0.216 19431 4146 1 10 . 1 1 102 102 ALA N N 102 121.373 121.373 126.541 -5.168 19431 4147 1 10 . 1 1 102 102 ALA HA H 102 4.994 4.994 5.140 -0.146 19431 4148 1 10 . 1 1 102 102 ALA CA C 102 48.505 48.505 50.263 -1.758 19431 4149 1 10 . 1 1 102 102 ALA CB C 102 19.355 19.355 22.773 -3.418 19431 4150 1 10 . 1 1 103 103 TYR N N 103 120.633 120.633 119.257 1.376 19431 4151 1 10 . 1 1 103 103 TYR HA H 103 5.311 5.311 5.571 -0.260 19431 4152 1 10 . 1 1 103 103 TYR CA C 103 55.519 55.519 54.775 0.744 19431 4153 1 10 . 1 1 103 103 TYR CB C 103 42.037 42.037 40.492 1.545 19431 4154 1 10 . 1 1 104 104 ASP N N 104 118.129 118.129 120.034 -1.905 19431 4155 1 10 . 1 1 104 104 ASP HA H 104 5.163 5.163 4.798 0.365 19431 4156 1 10 . 1 1 104 104 ASP CA C 104 49.372 49.372 52.856 -3.484 19431 4157 1 10 . 1 1 104 104 ASP CB C 104 39.054 39.054 43.678 -4.625 19431 4158 1 10 . 1 1 105 105 GLU N N 105 115.031 115.031 118.860 -3.829 19431 4159 1 10 . 1 1 105 105 GLU HA H 105 3.624 3.624 4.278 -0.654 19431 4160 1 10 . 1 1 105 105 GLU CA C 105 55.976 55.976 58.129 -2.153 19431 4161 1 10 . 1 1 105 105 GLU CB C 105 27.111 27.111 29.814 -2.703 19431 4162 1 10 . 1 1 106 106 ASP N N 106 119.038 119.038 118.255 0.783 19431 4163 1 10 . 1 1 107 107 MET N N 107 111.995 111.995 115.829 -3.834 19431 4164 1 10 . 1 1 107 107 MET HA H 107 4.343 4.343 3.894 0.449 19431 4165 1 10 . 1 1 107 107 MET CA C 107 51.671 51.671 56.177 -4.506 19431 4166 1 10 . 1 1 107 107 MET CB C 107 21.629 21.629 31.438 -9.809 19431 4167 1 10 . 1 1 108 108 ASN N N 108 117.079 117.079 115.960 1.119 19431 4168 1 10 . 1 1 108 108 ASN HA H 108 5.111 5.111 5.021 0.090 19431 4169 1 10 . 1 1 108 108 ASN CA C 108 49.519 49.519 52.093 -2.574 19431 4170 1 10 . 1 1 108 108 ASN CB C 108 37.221 37.221 39.118 -1.897 19431 4171 1 10 . 1 1 109 109 LEU N N 109 122.211 122.211 122.944 -0.733 19431 4172 1 10 . 1 1 109 109 LEU HA H 109 4.020 4.020 4.133 -0.113 19431 4173 1 10 . 1 1 109 109 LEU CA C 109 52.898 52.898 56.414 -3.516 19431 4174 1 10 . 1 1 109 109 LEU CB C 109 40.774 40.774 41.554 -0.781 19431 4175 1 10 . 1 1 110 110 VAL N N 110 109.806 109.806 125.746 -15.940 19431 4176 1 10 . 1 1 110 110 VAL HA H 110 4.551 4.551 4.341 0.210 19431 4177 1 10 . 1 1 110 110 VAL CA C 110 57.276 57.276 62.773 -5.497 19431 4178 1 10 . 1 1 110 110 VAL CB C 110 30.242 30.242 34.430 -4.188 19431 4179 1 10 . 1 1 111 111 SER N N 111 113.487 113.487 115.788 -2.301 19431 4180 1 10 . 1 1 111 111 SER HA H 111 4.476 4.476 4.772 -0.296 19431 4181 1 10 . 1 1 111 111 SER CA C 111 55.637 55.637 58.256 -2.619 19431 4182 1 10 . 1 1 111 111 SER CB C 111 61.288 61.288 65.395 -4.107 19431 4183 1 10 . 1 1 112 112 PHE N N 112 126.988 126.988 126.894 0.094 19431 4184 1 10 . 1 1 112 112 PHE HA H 112 4.991 4.991 5.188 -0.197 19431 4185 1 10 . 1 1 112 112 PHE CA C 112 55.305 55.305 56.679 -1.374 19431 4186 1 10 . 1 1 112 112 PHE CB C 112 40.128 40.128 42.123 -1.995 19431 4187 1 10 . 1 1 113 113 THR N N 113 120.333 120.333 123.046 -2.713 19431 4188 1 10 . 1 1 113 113 THR HA H 113 4.775 4.775 4.415 0.360 19431 4189 1 10 . 1 1 113 113 THR CA C 113 57.888 57.888 60.935 -3.047 19431 4190 1 10 . 1 1 113 113 THR CB C 113 69.193 69.193 72.003 -2.810 19431 4191 1 11 . 1 1 2 2 GLU HA H 2 4.446 4.446 4.488 -0.042 19431 4192 1 11 . 1 1 2 2 GLU CA C 2 53.359 53.359 55.780 -2.421 19431 4193 1 11 . 1 1 2 2 GLU CB C 2 29.108 29.108 30.918 -1.810 19431 4194 1 11 . 1 1 3 3 ILE N N 3 123.144 123.144 125.674 -2.530 19431 4195 1 11 . 1 1 3 3 ILE HA H 3 4.358 4.358 4.346 0.012 19431 4196 1 11 . 1 1 3 3 ILE CA C 3 57.727 57.727 60.146 -2.419 19431 4197 1 11 . 1 1 3 3 ILE CB C 3 35.665 35.665 38.295 -2.630 19431 4198 1 11 . 1 1 4 4 LEU N N 4 127.461 127.461 129.179 -1.718 19431 4199 1 11 . 1 1 4 4 LEU HA H 4 4.554 4.554 4.721 -0.167 19431 4200 1 11 . 1 1 4 4 LEU CA C 4 51.011 51.011 53.945 -2.934 19431 4201 1 11 . 1 1 4 4 LEU CB C 4 41.209 41.209 43.599 -2.390 19431 4202 1 11 . 1 1 5 5 LYS N N 5 121.611 121.611 118.698 2.913 19431 4203 1 11 . 1 1 5 5 LYS HA H 5 4.436 4.436 4.358 0.078 19431 4204 1 11 . 1 1 5 5 LYS CA C 5 53.150 53.150 56.494 -3.344 19431 4205 1 11 . 1 1 5 5 LYS CB C 5 29.359 29.359 32.202 -2.843 19431 4206 1 11 . 1 1 6 6 GLU N N 6 115.825 115.825 115.108 0.717 19431 4207 1 11 . 1 1 6 6 GLU HA H 6 4.269 4.269 4.663 -0.394 19431 4208 1 11 . 1 1 6 6 GLU CA C 6 51.331 51.331 54.658 -3.327 19431 4209 1 11 . 1 1 6 6 GLU CB C 6 29.583 29.583 31.430 -1.847 19431 4210 1 11 . 1 1 7 7 LEU N N 7 118.967 118.967 121.992 -3.025 19431 4211 1 11 . 1 1 7 7 LEU HA H 7 4.311 4.311 4.708 -0.397 19431 4212 1 11 . 1 1 7 7 LEU CA C 7 50.182 50.182 52.891 -2.709 19431 4213 1 11 . 1 1 7 7 LEU CB C 7 39.422 39.422 41.331 -1.909 19431 4214 1 11 . 1 1 8 8 PRO HA H 8 4.432 4.432 4.638 -0.206 19431 4215 1 11 . 1 1 8 8 PRO CA C 8 59.119 59.119 62.152 -3.033 19431 4216 1 11 . 1 1 8 8 PRO CB C 8 29.306 29.306 32.342 -3.036 19431 4217 1 11 . 1 1 9 9 GLU N N 9 121.059 121.059 117.306 3.753 19431 4218 1 11 . 1 1 9 9 GLU HA H 9 4.033 4.033 3.918 0.115 19431 4219 1 11 . 1 1 9 9 GLU CA C 9 55.281 55.281 57.277 -1.996 19431 4220 1 11 . 1 1 9 9 GLU CB C 9 26.864 26.864 29.449 -2.585 19431 4221 1 11 . 1 1 10 10 GLY N N 10 112.279 112.279 110.731 1.548 19431 4222 1 11 . 1 1 10 10 GLY CA C 10 42.029 42.029 44.675 -2.646 19431 4223 1 11 . 1 1 11 11 PHE N N 11 117.612 117.612 119.747 -2.135 19431 4224 1 11 . 1 1 11 11 PHE HA H 11 4.660 4.660 4.787 -0.127 19431 4225 1 11 . 1 1 11 11 PHE CA C 11 54.280 54.280 56.070 -1.790 19431 4226 1 11 . 1 1 11 11 PHE CB C 11 39.721 39.721 40.557 -0.836 19431 4227 1 11 . 1 1 12 12 ASP N N 12 121.568 121.568 121.103 0.465 19431 4228 1 11 . 1 1 12 12 ASP HA H 12 4.875 4.875 4.905 -0.030 19431 4229 1 11 . 1 1 12 12 ASP CA C 12 49.676 49.676 52.690 -3.014 19431 4230 1 11 . 1 1 12 12 ASP CB C 12 42.307 42.307 41.944 0.363 19431 4231 1 11 . 1 1 13 13 LYS N N 13 125.770 125.770 125.622 0.148 19431 4232 1 11 . 1 1 13 13 LYS HA H 13 3.294 3.294 3.223 0.071 19431 4233 1 11 . 1 1 13 13 LYS CA C 13 58.046 58.046 60.232 -2.186 19431 4234 1 11 . 1 1 13 13 LYS CB C 13 30.216 30.216 32.076 -1.860 19431 4235 1 11 . 1 1 14 14 GLU N N 14 118.590 118.590 118.205 0.385 19431 4236 1 11 . 1 1 14 14 GLU HA H 14 4.090 4.090 4.178 -0.088 19431 4237 1 11 . 1 1 14 14 GLU CA C 14 56.364 56.364 59.716 -3.352 19431 4238 1 11 . 1 1 14 14 GLU CB C 14 26.479 26.479 29.606 -3.127 19431 4239 1 11 . 1 1 15 15 THR N N 15 118.372 118.372 118.446 -0.074 19431 4240 1 11 . 1 1 15 15 THR HA H 15 3.737 3.737 3.967 -0.230 19431 4241 1 11 . 1 1 15 15 THR CA C 15 63.974 63.974 66.889 -2.915 19431 4242 1 11 . 1 1 15 15 THR CB C 15 65.565 65.565 68.805 -3.240 19431 4243 1 11 . 1 1 16 16 VAL N N 16 121.083 121.083 122.315 -1.232 19431 4244 1 11 . 1 1 16 16 VAL HA H 16 3.329 3.329 3.945 -0.616 19431 4245 1 11 . 1 1 16 16 VAL CA C 16 64.214 64.214 66.922 -2.708 19431 4246 1 11 . 1 1 16 16 VAL CB C 16 29.011 29.011 31.358 -2.347 19431 4247 1 11 . 1 1 17 17 ARG N N 17 119.409 119.409 119.286 0.123 19431 4248 1 11 . 1 1 17 17 ARG HA H 17 3.737 3.737 4.150 -0.413 19431 4249 1 11 . 1 1 17 17 ARG CA C 17 58.049 58.049 59.281 -1.232 19431 4250 1 11 . 1 1 17 17 ARG CB C 17 27.401 27.401 30.154 -2.753 19431 4251 1 11 . 1 1 18 18 LYS N N 18 116.168 116.168 118.707 -2.539 19431 4252 1 11 . 1 1 18 18 LYS HA H 18 3.800 3.800 4.068 -0.268 19431 4253 1 11 . 1 1 18 18 LYS CA C 18 57.031 57.031 59.034 -2.003 19431 4254 1 11 . 1 1 18 18 LYS CB C 18 29.801 29.801 32.266 -2.465 19431 4255 1 11 . 1 1 19 19 GLN N N 19 120.008 120.008 118.351 1.657 19431 4256 1 11 . 1 1 19 19 GLN HA H 19 3.767 3.767 4.054 -0.287 19431 4257 1 11 . 1 1 19 19 GLN CA C 19 54.492 54.492 58.261 -3.769 19431 4258 1 11 . 1 1 19 19 GLN CB C 19 26.490 26.490 28.231 -1.741 19431 4259 1 11 . 1 1 20 20 ALA N N 20 122.405 122.405 120.961 1.444 19431 4260 1 11 . 1 1 20 20 ALA HA H 20 4.404 4.404 4.350 0.054 19431 4261 1 11 . 1 1 20 20 ALA CA C 20 52.036 52.036 54.640 -2.604 19431 4262 1 11 . 1 1 20 20 ALA CB C 20 16.407 16.407 18.229 -1.822 19431 4263 1 11 . 1 1 21 21 MET N N 21 115.042 115.042 117.625 -2.583 19431 4264 1 11 . 1 1 21 21 MET HA H 21 3.354 3.354 3.575 -0.221 19431 4265 1 11 . 1 1 21 21 MET CA C 21 56.861 56.861 59.330 -2.469 19431 4266 1 11 . 1 1 21 21 MET CB C 21 30.538 30.538 32.008 -1.470 19431 4267 1 11 . 1 1 22 22 GLU N N 22 118.882 118.882 119.649 -0.767 19431 4268 1 11 . 1 1 22 22 GLU HA H 22 3.923 3.923 4.013 -0.090 19431 4269 1 11 . 1 1 22 22 GLU CA C 22 56.675 56.675 59.354 -2.679 19431 4270 1 11 . 1 1 22 22 GLU CB C 22 26.613 26.613 28.966 -2.353 19431 4271 1 11 . 1 1 23 23 ASP N N 23 122.549 122.549 119.828 2.721 19431 4272 1 11 . 1 1 23 23 ASP HA H 23 4.658 4.658 4.388 0.270 19431 4273 1 11 . 1 1 23 23 ASP CA C 23 55.053 55.053 57.447 -2.393 19431 4274 1 11 . 1 1 23 23 ASP CB C 23 37.479 37.479 40.484 -3.005 19431 4275 1 11 . 1 1 24 24 ILE N N 24 123.580 123.580 120.150 3.430 19431 4276 1 11 . 1 1 24 24 ILE HA H 24 3.678 3.678 3.429 0.249 19431 4277 1 11 . 1 1 24 24 ILE CA C 24 63.201 63.201 65.288 -2.087 19431 4278 1 11 . 1 1 24 24 ILE CB C 24 35.138 35.138 37.728 -2.590 19431 4279 1 11 . 1 1 25 25 GLU N N 25 120.591 120.591 118.759 1.832 19431 4280 1 11 . 1 1 25 25 GLU HA H 25 3.885 3.885 4.129 -0.244 19431 4281 1 11 . 1 1 25 25 GLU CA C 25 57.824 57.824 59.002 -1.178 19431 4282 1 11 . 1 1 25 25 GLU CB C 25 25.883 25.883 29.311 -3.428 19431 4283 1 11 . 1 1 26 26 ILE N N 26 121.350 121.350 118.289 3.061 19431 4284 1 11 . 1 1 26 26 ILE HA H 26 3.718 3.718 3.768 -0.050 19431 4285 1 11 . 1 1 26 26 ILE CA C 26 62.881 62.881 62.245 0.636 19431 4286 1 11 . 1 1 26 26 ILE CB C 26 35.324 35.324 36.613 -1.289 19431 4287 1 11 . 1 1 27 27 ALA N N 27 120.204 120.204 121.919 -1.715 19431 4288 1 11 . 1 1 28 28 GLN N N 28 114.627 114.627 118.472 -3.845 19431 4289 1 11 . 1 1 28 28 GLN CB C 28 26.380 26.380 28.861 -2.481 19431 4290 1 11 . 1 1 29 29 SER N N 29 115.031 115.031 112.524 2.507 19431 4291 1 11 . 1 1 29 29 SER HA H 29 4.260 4.260 4.583 -0.323 19431 4292 1 11 . 1 1 29 29 SER CA C 29 57.768 57.768 58.140 -0.372 19431 4293 1 11 . 1 1 29 29 SER CB C 29 61.367 61.367 63.325 -1.958 19431 4294 1 11 . 1 1 30 30 LYS N N 30 112.834 112.834 118.537 -5.703 19431 4295 1 11 . 1 1 30 30 LYS HA H 30 4.228 4.228 3.597 0.631 19431 4296 1 11 . 1 1 30 30 LYS CA C 30 56.103 56.103 56.869 -0.766 19431 4297 1 11 . 1 1 30 30 LYS CB C 30 26.478 26.478 29.758 -3.280 19431 4298 1 11 . 1 1 31 31 ASP N N 31 121.067 121.067 120.572 0.495 19431 4299 1 11 . 1 1 31 31 ASP HA H 31 4.877 4.877 4.107 0.770 19431 4300 1 11 . 1 1 31 31 ASP CA C 31 49.742 49.742 52.870 -3.128 19431 4301 1 11 . 1 1 31 31 ASP CB C 31 38.652 38.652 43.412 -4.760 19431 4302 1 11 . 1 1 32 32 TYR N N 32 126.671 126.671 120.267 6.404 19431 4303 1 11 . 1 1 32 32 TYR HA H 32 3.311 3.311 4.889 -1.578 19431 4304 1 11 . 1 1 32 32 TYR CA C 32 57.951 57.951 57.915 0.036 19431 4305 1 11 . 1 1 32 32 TYR CB C 32 36.158 36.158 40.236 -4.077 19431 4306 1 11 . 1 1 33 33 GLU N N 33 115.884 115.884 117.950 -2.066 19431 4307 1 11 . 1 1 33 33 GLU HA H 33 3.442 3.442 4.628 -1.186 19431 4308 1 11 . 1 1 33 33 GLU CA C 33 56.757 56.757 57.298 -0.541 19431 4309 1 11 . 1 1 33 33 GLU CB C 33 26.095 26.095 31.928 -5.833 19431 4310 1 11 . 1 1 34 34 SER N N 34 116.060 116.060 115.921 0.139 19431 4311 1 11 . 1 1 34 34 SER HA H 34 4.026 4.026 4.368 -0.342 19431 4312 1 11 . 1 1 34 34 SER CA C 34 58.953 58.953 61.491 -2.538 19431 4313 1 11 . 1 1 34 34 SER CB C 34 59.683 59.683 63.414 -3.731 19431 4314 1 11 . 1 1 35 35 TRP N N 35 123.977 123.977 122.327 1.650 19431 4315 1 11 . 1 1 35 35 TRP CA C 35 57.894 57.894 59.887 -1.993 19431 4316 1 11 . 1 1 35 35 TRP CB C 35 25.531 25.531 29.655 -4.124 19431 4317 1 11 . 1 1 36 36 LYS N N 36 117.633 117.633 119.182 -1.549 19431 4318 1 11 . 1 1 36 36 LYS HA H 36 3.128 3.128 3.926 -0.798 19431 4319 1 11 . 1 1 36 36 LYS CA C 36 55.998 55.998 59.712 -3.714 19431 4320 1 11 . 1 1 36 36 LYS CB C 36 29.304 29.304 32.054 -2.750 19431 4321 1 11 . 1 1 37 37 SER N N 37 109.835 109.835 111.879 -2.044 19431 4322 1 11 . 1 1 37 37 SER HA H 37 3.989 3.989 4.355 -0.366 19431 4323 1 11 . 1 1 37 37 SER CA C 37 57.765 57.765 59.876 -2.111 19431 4324 1 11 . 1 1 37 37 SER CB C 37 60.606 60.606 62.831 -2.225 19431 4325 1 11 . 1 1 38 38 ARG N N 38 119.946 119.946 118.226 1.720 19431 4326 1 11 . 1 1 38 38 ARG HA H 38 4.144 4.144 4.318 -0.174 19431 4327 1 11 . 1 1 38 38 ARG CA C 38 51.208 51.208 55.264 -4.056 19431 4328 1 11 . 1 1 38 38 ARG CB C 38 25.717 25.717 30.341 -4.624 19431 4329 1 11 . 1 1 39 39 PHE N N 39 117.529 117.529 118.520 -0.991 19431 4330 1 11 . 1 1 39 39 PHE HA H 39 4.855 4.855 5.039 -0.184 19431 4331 1 11 . 1 1 39 39 PHE CA C 39 54.234 54.234 56.870 -2.636 19431 4332 1 11 . 1 1 39 39 PHE CB C 39 37.547 37.547 40.036 -2.489 19431 4333 1 11 . 1 1 40 40 THR N N 40 113.296 113.296 113.312 -0.016 19431 4334 1 11 . 1 1 40 40 THR HA H 40 3.991 3.991 4.329 -0.338 19431 4335 1 11 . 1 1 40 40 THR CA C 40 59.704 59.704 61.159 -1.455 19431 4336 1 11 . 1 1 40 40 THR CB C 40 66.175 66.175 70.398 -4.223 19431 4337 1 11 . 1 1 41 41 LYS N N 41 124.924 124.924 121.589 3.335 19431 4338 1 11 . 1 1 41 41 LYS HA H 41 3.713 3.713 4.029 -0.316 19431 4339 1 11 . 1 1 41 41 LYS CA C 41 57.650 57.650 59.970 -2.320 19431 4340 1 11 . 1 1 41 41 LYS CB C 41 29.363 29.363 31.998 -2.635 19431 4341 1 11 . 1 1 42 42 ASP N N 42 116.255 116.255 119.689 -3.434 19431 4342 1 11 . 1 1 42 42 ASP HA H 42 4.343 4.343 4.453 -0.110 19431 4343 1 11 . 1 1 42 42 ASP CA C 42 53.841 53.841 57.229 -3.388 19431 4344 1 11 . 1 1 42 42 ASP CB C 42 37.703 37.703 41.038 -3.336 19431 4345 1 11 . 1 1 43 43 LEU N N 43 119.134 119.134 119.868 -0.734 19431 4346 1 11 . 1 1 43 43 LEU HA H 43 4.320 4.320 4.019 0.301 19431 4347 1 11 . 1 1 43 43 LEU CA C 43 52.423 52.423 57.554 -5.131 19431 4348 1 11 . 1 1 43 43 LEU CB C 43 40.023 40.023 41.781 -1.758 19431 4349 1 11 . 1 1 44 44 GLN N N 44 119.455 119.455 119.322 0.133 19431 4350 1 11 . 1 1 44 44 GLN HA H 44 3.466 3.466 3.918 -0.452 19431 4351 1 11 . 1 1 44 44 GLN CA C 44 57.437 57.437 59.349 -1.912 19431 4352 1 11 . 1 1 44 44 GLN CB C 44 25.394 25.394 28.676 -3.282 19431 4353 1 11 . 1 1 45 45 SER N N 45 110.605 110.605 115.097 -4.492 19431 4354 1 11 . 1 1 45 45 SER HA H 45 4.211 4.211 4.356 -0.145 19431 4355 1 11 . 1 1 45 45 SER CA C 45 57.621 57.621 60.865 -3.244 19431 4356 1 11 . 1 1 45 45 SER CB C 45 60.094 60.094 63.396 -3.302 19431 4357 1 11 . 1 1 46 46 SER N N 46 115.075 115.075 115.331 -0.256 19431 4358 1 11 . 1 1 46 46 SER HA H 46 4.473 4.473 4.557 -0.084 19431 4359 1 11 . 1 1 46 46 SER CA C 46 55.739 55.739 57.750 -2.011 19431 4360 1 11 . 1 1 46 46 SER CB C 46 61.628 61.628 63.879 -2.251 19431 4361 1 11 . 1 1 47 47 LEU N N 47 124.984 124.984 124.417 0.567 19431 4362 1 11 . 1 1 47 47 LEU HA H 47 4.334 4.334 4.242 0.092 19431 4363 1 11 . 1 1 47 47 LEU CA C 47 52.040 52.040 55.475 -3.435 19431 4364 1 11 . 1 1 47 47 LEU CB C 47 39.810 39.810 42.475 -2.665 19431 4365 1 11 . 1 1 48 48 THR N N 48 111.152 111.152 113.992 -2.840 19431 4366 1 11 . 1 1 48 48 THR HA H 48 4.665 4.665 4.581 0.084 19431 4367 1 11 . 1 1 48 48 THR CA C 48 56.718 56.718 60.648 -3.930 19431 4368 1 11 . 1 1 48 48 THR CB C 48 69.103 69.103 70.361 -1.258 19431 4369 1 11 . 1 1 49 49 GLU N N 49 124.552 124.552 125.468 -0.916 19431 4370 1 11 . 1 1 49 49 GLU HA H 49 3.194 3.194 4.348 -1.154 19431 4371 1 11 . 1 1 49 49 GLU CA C 49 56.770 56.770 60.197 -3.427 19431 4372 1 11 . 1 1 49 49 GLU CB C 49 26.148 26.148 29.122 -2.974 19431 4373 1 11 . 1 1 50 50 GLU N N 50 118.615 118.615 118.710 -0.095 19431 4374 1 11 . 1 1 50 50 GLU HA H 50 4.000 4.000 4.055 -0.055 19431 4375 1 11 . 1 1 50 50 GLU CA C 50 57.357 57.357 59.026 -1.669 19431 4376 1 11 . 1 1 50 50 GLU CB C 50 26.511 26.511 28.727 -2.216 19431 4377 1 11 . 1 1 51 51 SER N N 51 116.380 116.380 114.738 1.642 19431 4378 1 11 . 1 1 51 51 SER HA H 51 4.256 4.256 4.437 -0.181 19431 4379 1 11 . 1 1 51 51 SER CA C 51 58.825 58.825 60.750 -1.925 19431 4380 1 11 . 1 1 51 51 SER CB C 51 59.884 59.884 63.520 -3.636 19431 4381 1 11 . 1 1 52 52 TYR N N 52 125.611 125.611 114.943 10.668 19431 4382 1 11 . 1 1 52 52 TYR CB C 52 36.647 36.647 39.700 -3.053 19431 4383 1 11 . 1 1 53 53 ASP N N 53 119.653 119.653 120.957 -1.304 19431 4384 1 11 . 1 1 53 53 ASP HA H 53 4.115 4.115 4.008 0.107 19431 4385 1 11 . 1 1 53 53 ASP CA C 53 54.553 54.553 58.014 -3.461 19431 4386 1 11 . 1 1 53 53 ASP CB C 53 37.477 37.477 40.443 -2.966 19431 4387 1 11 . 1 1 54 54 SER N N 54 114.883 114.883 115.058 -0.175 19431 4388 1 11 . 1 1 54 54 SER HA H 54 3.946 3.946 4.157 -0.211 19431 4389 1 11 . 1 1 54 54 SER CA C 54 59.741 59.741 61.207 -1.466 19431 4390 1 11 . 1 1 54 54 SER CB C 54 59.750 59.750 63.237 -3.487 19431 4391 1 11 . 1 1 55 55 TYR N N 55 123.933 123.933 122.858 1.075 19431 4392 1 11 . 1 1 55 55 TYR HA H 55 4.361 4.361 4.268 0.093 19431 4393 1 11 . 1 1 55 55 TYR CA C 55 57.213 57.213 61.196 -3.983 19431 4394 1 11 . 1 1 55 55 TYR CB C 55 34.024 34.024 38.313 -4.289 19431 4395 1 11 . 1 1 56 56 LEU N N 56 119.758 119.758 118.919 0.839 19431 4396 1 11 . 1 1 56 56 LEU HA H 56 3.252 3.252 3.690 -0.438 19431 4397 1 11 . 1 1 56 56 LEU CA C 56 54.681 54.681 57.710 -3.029 19431 4398 1 11 . 1 1 56 56 LEU CB C 56 38.151 38.151 41.475 -3.324 19431 4399 1 11 . 1 1 57 57 LYS N N 57 118.487 118.487 118.677 -0.190 19431 4400 1 11 . 1 1 57 57 LYS HA H 57 3.852 3.852 4.027 -0.175 19431 4401 1 11 . 1 1 57 57 LYS CA C 57 56.090 56.090 58.743 -2.653 19431 4402 1 11 . 1 1 57 57 LYS CB C 57 29.683 29.683 32.055 -2.372 19431 4403 1 11 . 1 1 58 58 ILE N N 58 120.887 120.887 119.125 1.762 19431 4404 1 11 . 1 1 58 58 ILE HA H 58 3.591 3.591 3.720 -0.129 19431 4405 1 11 . 1 1 58 58 ILE CA C 58 61.366 61.366 64.669 -3.303 19431 4406 1 11 . 1 1 58 58 ILE CB C 58 35.144 35.144 37.991 -2.847 19431 4407 1 11 . 1 1 59 59 LEU N N 59 122.273 122.273 120.731 1.542 19431 4408 1 11 . 1 1 59 59 LEU HA H 59 3.437 3.437 3.610 -0.173 19431 4409 1 11 . 1 1 59 59 LEU CA C 59 54.847 54.847 57.983 -3.136 19431 4410 1 11 . 1 1 59 59 LEU CB C 59 39.071 39.071 41.308 -2.237 19431 4411 1 11 . 1 1 60 60 GLU N N 60 118.591 118.591 118.033 0.558 19431 4412 1 11 . 1 1 60 60 GLU HA H 60 3.810 3.810 3.938 -0.128 19431 4413 1 11 . 1 1 60 60 GLU CA C 60 56.156 56.156 59.006 -2.850 19431 4414 1 11 . 1 1 60 60 GLU CB C 60 26.820 26.820 29.793 -2.973 19431 4415 1 11 . 1 1 61 61 LYS N N 61 115.698 115.698 115.028 0.670 19431 4416 1 11 . 1 1 61 61 LYS HA H 61 4.029 4.029 4.400 -0.371 19431 4417 1 11 . 1 1 61 61 LYS CA C 61 54.164 54.164 56.177 -2.013 19431 4418 1 11 . 1 1 61 61 LYS CB C 61 29.581 29.581 32.251 -2.670 19431 4419 1 11 . 1 1 62 62 GLN N N 62 114.863 114.863 118.397 -3.534 19431 4420 1 11 . 1 1 62 62 GLN HA H 62 3.851 3.851 4.339 -0.488 19431 4421 1 11 . 1 1 62 62 GLN CA C 62 52.258 52.258 55.484 -3.226 19431 4422 1 11 . 1 1 62 62 GLN CB C 62 25.186 25.186 30.108 -4.923 19431 4423 1 11 . 1 1 63 63 GLY N N 63 101.724 101.724 107.647 -5.923 19431 4424 1 11 . 1 1 63 63 GLY CA C 63 41.815 41.815 44.639 -2.824 19431 4425 1 11 . 1 1 64 64 GLU N N 64 118.731 118.731 121.038 -2.307 19431 4426 1 11 . 1 1 64 64 GLU HA H 64 4.137 4.137 4.778 -0.641 19431 4427 1 11 . 1 1 64 64 GLU CA C 64 54.598 54.598 54.776 -0.178 19431 4428 1 11 . 1 1 64 64 GLU CB C 64 28.312 28.312 31.939 -3.627 19431 4429 1 11 . 1 1 65 65 PHE N N 65 123.366 123.366 124.199 -0.833 19431 4430 1 11 . 1 1 65 65 PHE HA H 65 3.825 3.825 3.664 0.161 19431 4431 1 11 . 1 1 65 65 PHE CA C 65 57.419 57.419 58.728 -1.309 19431 4432 1 11 . 1 1 65 65 PHE CB C 65 36.666 36.666 38.821 -2.155 19431 4433 1 11 . 1 1 66 66 LYS N N 66 125.336 125.336 125.874 -0.538 19431 4434 1 11 . 1 1 66 66 LYS HA H 66 4.168 4.168 3.968 0.200 19431 4435 1 11 . 1 1 66 66 LYS CA C 66 53.226 53.226 55.838 -2.612 19431 4436 1 11 . 1 1 66 66 LYS CB C 66 30.293 30.293 34.219 -3.926 19431 4437 1 11 . 1 1 67 67 GLU N N 67 112.076 112.076 118.204 -6.128 19431 4438 1 11 . 1 1 67 67 GLU HA H 67 4.069 4.069 4.246 -0.177 19431 4439 1 11 . 1 1 67 67 GLU CA C 67 52.907 52.907 55.626 -2.719 19431 4440 1 11 . 1 1 67 67 GLU CB C 67 29.378 29.378 32.308 -2.930 19431 4441 1 11 . 1 1 68 68 PHE N N 68 118.706 118.706 120.760 -2.054 19431 4442 1 11 . 1 1 68 68 PHE CB C 68 38.408 38.408 41.063 -2.655 19431 4443 1 11 . 1 1 69 69 GLY N N 69 112.889 112.889 110.022 2.867 19431 4444 1 11 . 1 1 69 69 GLY CA C 69 41.353 41.353 44.331 -2.978 19431 4445 1 11 . 1 1 70 70 LYS N N 70 122.409 122.409 119.837 2.572 19431 4446 1 11 . 1 1 70 70 LYS HA H 70 4.085 4.085 4.439 -0.354 19431 4447 1 11 . 1 1 70 70 LYS CA C 70 54.418 54.418 57.351 -2.933 19431 4448 1 11 . 1 1 70 70 LYS CB C 70 31.197 31.197 33.480 -2.283 19431 4449 1 11 . 1 1 71 71 CYS N N 71 118.509 118.509 124.945 -6.436 19431 4450 1 11 . 1 1 71 71 CYS HA H 71 5.332 5.332 5.545 -0.213 19431 4451 1 11 . 1 1 71 71 CYS CA C 71 54.655 54.655 56.632 -1.977 19431 4452 1 11 . 1 1 71 71 CYS CB C 71 28.223 28.223 28.483 -0.260 19431 4453 1 11 . 1 1 72 72 THR N N 72 120.129 120.129 121.260 -1.131 19431 4454 1 11 . 1 1 72 72 THR HA H 72 4.272 4.272 4.294 -0.022 19431 4455 1 11 . 1 1 72 72 THR CA C 72 58.652 58.652 61.537 -2.885 19431 4456 1 11 . 1 1 72 72 THR CB C 72 68.199 68.199 69.988 -1.789 19431 4457 1 11 . 1 1 73 73 TYR N N 73 122.772 122.772 125.493 -2.721 19431 4458 1 11 . 1 1 73 73 TYR HA H 73 5.034 5.034 4.699 0.335 19431 4459 1 11 . 1 1 73 73 TYR CA C 73 55.497 55.497 57.588 -2.091 19431 4460 1 11 . 1 1 73 73 TYR CB C 73 38.271 38.271 39.158 -0.887 19431 4461 1 11 . 1 1 74 74 LEU N N 74 117.980 117.980 120.930 -2.950 19431 4462 1 11 . 1 1 74 74 LEU HA H 74 4.466 4.466 4.605 -0.139 19431 4463 1 11 . 1 1 74 74 LEU CA C 74 51.805 51.805 53.543 -1.738 19431 4464 1 11 . 1 1 74 74 LEU CB C 74 42.030 42.030 44.032 -2.002 19431 4465 1 11 . 1 1 75 75 GLY N N 75 105.257 105.257 107.758 -2.501 19431 4466 1 11 . 1 1 75 75 GLY CA C 75 42.799 42.799 44.334 -1.535 19431 4467 1 11 . 1 1 76 76 GLN N N 76 119.071 119.071 120.663 -1.592 19431 4468 1 11 . 1 1 76 76 GLN HA H 76 4.938 4.938 4.832 0.106 19431 4469 1 11 . 1 1 76 76 GLN CA C 76 52.495 52.495 55.234 -2.739 19431 4470 1 11 . 1 1 76 76 GLN CB C 76 30.498 30.498 33.890 -3.392 19431 4471 1 11 . 1 1 77 77 ILE N N 77 123.550 123.550 123.625 -0.075 19431 4472 1 11 . 1 1 77 77 ILE HA H 77 4.992 4.992 5.087 -0.095 19431 4473 1 11 . 1 1 77 77 ILE CA C 77 57.239 57.239 60.180 -2.941 19431 4474 1 11 . 1 1 77 77 ILE CB C 77 36.664 36.664 39.085 -2.421 19431 4475 1 11 . 1 1 78 78 LYS N N 78 127.532 127.532 128.466 -0.934 19431 4476 1 11 . 1 1 78 78 LYS HA H 78 4.585 4.585 4.142 0.443 19431 4477 1 11 . 1 1 78 78 LYS CA C 78 52.768 52.768 59.185 -6.417 19431 4478 1 11 . 1 1 78 78 LYS CB C 78 32.536 32.536 33.114 -0.578 19431 4479 1 11 . 1 1 79 79 ASP N N 79 128.019 128.019 113.242 14.777 19431 4480 1 11 . 1 1 79 79 ASP HA H 79 4.168 4.168 4.712 -0.544 19431 4481 1 11 . 1 1 79 79 ASP CA C 79 53.258 53.258 55.292 -2.034 19431 4482 1 11 . 1 1 79 79 ASP CB C 79 36.826 36.826 41.597 -4.771 19431 4483 1 11 . 1 1 80 80 ASN N N 80 110.608 110.608 116.478 -5.870 19431 4484 1 11 . 1 1 80 80 ASN HA H 80 4.168 4.168 4.738 -0.570 19431 4485 1 11 . 1 1 80 80 ASN CA C 80 51.912 51.912 53.018 -1.106 19431 4486 1 11 . 1 1 80 80 ASN CB C 80 35.506 35.506 39.935 -4.429 19431 4487 1 11 . 1 1 81 81 LYS N N 81 121.116 121.116 121.714 -0.598 19431 4488 1 11 . 1 1 81 81 LYS HA H 81 4.482 4.482 4.404 0.078 19431 4489 1 11 . 1 1 81 81 LYS CA C 81 52.353 52.353 55.121 -2.768 19431 4490 1 11 . 1 1 81 81 LYS CB C 81 32.119 32.119 34.091 -1.972 19431 4491 1 11 . 1 1 82 82 LYS N N 82 119.259 119.259 122.594 -3.335 19431 4492 1 11 . 1 1 82 82 LYS HA H 82 4.765 4.765 5.199 -0.434 19431 4493 1 11 . 1 1 82 82 LYS CA C 82 52.722 52.722 55.272 -2.550 19431 4494 1 11 . 1 1 82 82 LYS CB C 82 32.934 32.934 35.583 -2.649 19431 4495 1 11 . 1 1 83 83 TYR N N 83 118.176 118.176 120.471 -2.295 19431 4496 1 11 . 1 1 83 83 TYR HA H 83 5.275 5.275 5.052 0.223 19431 4497 1 11 . 1 1 83 83 TYR CA C 83 53.383 53.383 56.624 -3.241 19431 4498 1 11 . 1 1 83 83 TYR CB C 83 38.026 38.026 42.692 -4.666 19431 4499 1 11 . 1 1 84 84 GLY N N 84 111.686 111.686 109.058 2.628 19431 4500 1 11 . 1 1 84 84 GLY CA C 84 41.219 41.219 42.870 -1.651 19431 4501 1 11 . 1 1 85 85 GLY N N 85 111.232 111.232 110.861 0.371 19431 4502 1 11 . 1 1 85 85 GLY CA C 85 42.272 42.272 42.675 -0.403 19431 4503 1 11 . 1 1 86 86 VAL N N 86 115.256 115.256 120.399 -5.143 19431 4504 1 11 . 1 1 86 86 VAL HA H 86 5.127 5.127 4.775 0.352 19431 4505 1 11 . 1 1 86 86 VAL CA C 86 55.741 55.741 60.392 -4.651 19431 4506 1 11 . 1 1 86 86 VAL CB C 86 33.129 33.129 35.199 -2.070 19431 4507 1 11 . 1 1 87 87 ILE N N 87 125.124 125.124 129.996 -4.872 19431 4508 1 11 . 1 1 87 87 ILE HA H 87 5.206 5.206 4.660 0.546 19431 4509 1 11 . 1 1 87 87 ILE CA C 87 57.168 57.168 60.609 -3.441 19431 4510 1 11 . 1 1 87 87 ILE CB C 87 36.590 36.590 37.615 -1.025 19431 4511 1 11 . 1 1 88 88 ILE N N 88 128.056 128.056 128.748 -0.692 19431 4512 1 11 . 1 1 88 88 ILE HA H 88 5.146 5.146 4.604 0.542 19431 4513 1 11 . 1 1 88 88 ILE CA C 88 55.356 55.356 59.896 -4.540 19431 4514 1 11 . 1 1 88 88 ILE CB C 88 39.847 39.847 39.014 0.833 19431 4515 1 11 . 1 1 89 89 VAL N N 89 128.326 128.326 130.577 -2.251 19431 4516 1 11 . 1 1 89 89 VAL HA H 89 4.387 4.387 4.674 -0.287 19431 4517 1 11 . 1 1 89 89 VAL CA C 89 59.839 59.839 62.760 -2.921 19431 4518 1 11 . 1 1 89 89 VAL CB C 89 30.295 30.295 32.327 -2.032 19431 4519 1 11 . 1 1 90 90 VAL N N 90 128.738 128.738 126.973 1.765 19431 4520 1 11 . 1 1 90 90 VAL HA H 90 4.207 4.207 4.825 -0.618 19431 4521 1 11 . 1 1 90 90 VAL CA C 90 59.722 59.722 60.834 -1.112 19431 4522 1 11 . 1 1 90 90 VAL CB C 90 31.537 31.537 35.693 -4.156 19431 4523 1 11 . 1 1 91 91 LYS N N 91 126.004 126.004 130.054 -4.050 19431 4524 1 11 . 1 1 91 91 LYS HA H 91 4.629 4.629 4.910 -0.281 19431 4525 1 11 . 1 1 91 91 LYS CA C 91 52.972 52.972 55.470 -2.498 19431 4526 1 11 . 1 1 91 91 LYS CB C 91 30.789 30.789 32.197 -1.408 19431 4527 1 11 . 1 1 92 92 TYR N N 92 123.932 123.932 125.258 -1.326 19431 4528 1 11 . 1 1 92 92 TYR HA H 92 4.940 4.940 4.641 0.299 19431 4529 1 11 . 1 1 92 92 TYR CA C 92 53.905 53.905 58.291 -4.386 19431 4530 1 11 . 1 1 92 92 TYR CB C 92 39.331 39.331 39.408 -0.077 19431 4531 1 11 . 1 1 93 93 GLU N N 93 122.195 122.195 119.786 2.409 19431 4532 1 11 . 1 1 93 93 GLU HA H 93 3.834 3.834 4.098 -0.264 19431 4533 1 11 . 1 1 93 93 GLU CA C 93 57.465 57.465 59.346 -1.881 19431 4534 1 11 . 1 1 93 93 GLU CB C 93 28.695 28.695 30.053 -1.358 19431 4535 1 11 . 1 1 94 94 GLU N N 94 110.219 110.219 115.867 -5.648 19431 4536 1 11 . 1 1 94 94 GLU HA H 94 4.440 4.440 4.626 -0.186 19431 4537 1 11 . 1 1 94 94 GLU CA C 94 52.555 52.555 55.561 -3.006 19431 4538 1 11 . 1 1 94 94 GLU CB C 94 26.861 26.861 31.002 -4.141 19431 4539 1 11 . 1 1 95 95 GLY N N 95 106.566 106.566 108.176 -1.610 19431 4540 1 11 . 1 1 95 95 GLY CA C 95 42.542 42.542 45.096 -2.554 19431 4541 1 11 . 1 1 96 96 ASN N N 96 116.707 116.707 122.115 -5.408 19431 4542 1 11 . 1 1 96 96 ASN HA H 96 5.720 5.720 5.751 -0.031 19431 4543 1 11 . 1 1 96 96 ASN CA C 96 49.003 49.003 52.239 -3.236 19431 4544 1 11 . 1 1 96 96 ASN CB C 96 37.602 37.602 40.042 -2.440 19431 4545 1 11 . 1 1 97 97 VAL N N 97 122.002 122.002 123.855 -1.853 19431 4546 1 11 . 1 1 97 97 VAL HA H 97 4.117 4.117 4.175 -0.058 19431 4547 1 11 . 1 1 97 97 VAL CA C 97 58.404 58.404 61.408 -3.004 19431 4548 1 11 . 1 1 97 97 VAL CB C 97 33.456 33.456 32.722 0.734 19431 4549 1 11 . 1 1 98 98 ASN N N 98 124.376 124.376 126.597 -2.221 19431 4550 1 11 . 1 1 98 98 ASN HA H 98 5.135 5.135 4.913 0.222 19431 4551 1 11 . 1 1 98 98 ASN CA C 98 48.630 48.630 52.344 -3.714 19431 4552 1 11 . 1 1 98 98 ASN CB C 98 36.031 36.031 38.720 -2.689 19431 4553 1 11 . 1 1 99 99 TYR N N 99 123.932 123.932 125.240 -1.308 19431 4554 1 11 . 1 1 99 99 TYR HA H 99 4.640 4.640 4.915 -0.275 19431 4555 1 11 . 1 1 99 99 TYR CA C 99 55.468 55.468 57.891 -2.423 19431 4556 1 11 . 1 1 99 99 TYR CB C 99 38.122 38.122 38.455 -0.332 19431 4557 1 11 . 1 1 100 100 SER N N 100 115.327 115.327 120.537 -5.210 19431 4558 1 11 . 1 1 100 100 SER HA H 100 5.242 5.242 4.682 0.560 19431 4559 1 11 . 1 1 100 100 SER CA C 100 53.767 53.767 58.368 -4.601 19431 4560 1 11 . 1 1 100 100 SER CB C 100 60.649 60.649 61.605 -0.956 19431 4561 1 11 . 1 1 101 101 LEU N N 101 130.521 130.521 126.079 4.442 19431 4562 1 11 . 1 1 101 101 LEU HA H 101 4.978 4.978 4.887 0.091 19431 4563 1 11 . 1 1 101 101 LEU CA C 101 51.756 51.756 54.206 -2.450 19431 4564 1 11 . 1 1 101 101 LEU CB C 101 42.765 42.765 42.729 0.036 19431 4565 1 11 . 1 1 102 102 ALA N N 102 121.373 121.373 126.492 -5.119 19431 4566 1 11 . 1 1 102 102 ALA HA H 102 4.994 4.994 4.979 0.015 19431 4567 1 11 . 1 1 102 102 ALA CA C 102 48.505 48.505 50.255 -1.750 19431 4568 1 11 . 1 1 102 102 ALA CB C 102 19.355 19.355 22.883 -3.528 19431 4569 1 11 . 1 1 103 103 TYR N N 103 120.633 120.633 119.371 1.262 19431 4570 1 11 . 1 1 103 103 TYR HA H 103 5.311 5.311 5.805 -0.494 19431 4571 1 11 . 1 1 103 103 TYR CA C 103 55.519 55.519 54.947 0.572 19431 4572 1 11 . 1 1 103 103 TYR CB C 103 42.037 42.037 41.099 0.938 19431 4573 1 11 . 1 1 104 104 ASP N N 104 118.129 118.129 119.829 -1.700 19431 4574 1 11 . 1 1 104 104 ASP HA H 104 5.163 5.163 4.862 0.301 19431 4575 1 11 . 1 1 104 104 ASP CA C 104 49.372 49.372 53.032 -3.660 19431 4576 1 11 . 1 1 104 104 ASP CB C 104 39.054 39.054 43.397 -4.343 19431 4577 1 11 . 1 1 105 105 GLU N N 105 115.031 115.031 119.252 -4.221 19431 4578 1 11 . 1 1 105 105 GLU HA H 105 3.624 3.624 4.222 -0.598 19431 4579 1 11 . 1 1 105 105 GLU CA C 105 55.976 55.976 58.492 -2.516 19431 4580 1 11 . 1 1 105 105 GLU CB C 105 27.111 27.111 29.829 -2.718 19431 4581 1 11 . 1 1 106 106 ASP N N 106 119.038 119.038 119.762 -0.724 19431 4582 1 11 . 1 1 107 107 MET N N 107 111.995 111.995 112.410 -0.415 19431 4583 1 11 . 1 1 107 107 MET HA H 107 4.343 4.343 4.272 0.071 19431 4584 1 11 . 1 1 107 107 MET CA C 107 51.671 51.671 56.165 -4.494 19431 4585 1 11 . 1 1 107 107 MET CB C 107 21.629 21.629 33.413 -11.784 19431 4586 1 11 . 1 1 108 108 ASN N N 108 117.079 117.079 120.938 -3.859 19431 4587 1 11 . 1 1 108 108 ASN HA H 108 5.111 5.111 4.784 0.327 19431 4588 1 11 . 1 1 108 108 ASN CA C 108 49.519 49.519 53.641 -4.122 19431 4589 1 11 . 1 1 108 108 ASN CB C 108 37.221 37.221 38.664 -1.444 19431 4590 1 11 . 1 1 109 109 LEU N N 109 122.211 122.211 125.134 -2.923 19431 4591 1 11 . 1 1 109 109 LEU HA H 109 4.020 4.020 4.385 -0.365 19431 4592 1 11 . 1 1 109 109 LEU CA C 109 52.898 52.898 56.648 -3.750 19431 4593 1 11 . 1 1 109 109 LEU CB C 109 40.774 40.774 41.618 -0.844 19431 4594 1 11 . 1 1 110 110 VAL N N 110 109.806 109.806 126.604 -16.798 19431 4595 1 11 . 1 1 110 110 VAL HA H 110 4.551 4.551 4.302 0.249 19431 4596 1 11 . 1 1 110 110 VAL CA C 110 57.276 57.276 61.511 -4.235 19431 4597 1 11 . 1 1 110 110 VAL CB C 110 30.242 30.242 33.403 -3.160 19431 4598 1 11 . 1 1 111 111 SER N N 111 113.487 113.487 114.971 -1.484 19431 4599 1 11 . 1 1 111 111 SER HA H 111 4.476 4.476 4.729 -0.253 19431 4600 1 11 . 1 1 111 111 SER CA C 111 55.637 55.637 57.711 -2.074 19431 4601 1 11 . 1 1 111 111 SER CB C 111 61.288 61.288 64.724 -3.436 19431 4602 1 11 . 1 1 112 112 PHE N N 112 126.988 126.988 125.519 1.469 19431 4603 1 11 . 1 1 112 112 PHE HA H 112 4.991 4.991 5.313 -0.322 19431 4604 1 11 . 1 1 112 112 PHE CA C 112 55.305 55.305 57.045 -1.740 19431 4605 1 11 . 1 1 112 112 PHE CB C 112 40.128 40.128 41.669 -1.541 19431 4606 1 11 . 1 1 113 113 THR N N 113 120.333 120.333 121.507 -1.174 19431 4607 1 11 . 1 1 113 113 THR HA H 113 4.775 4.775 4.139 0.636 19431 4608 1 11 . 1 1 113 113 THR CA C 113 57.888 57.888 60.415 -2.527 19431 4609 1 11 . 1 1 113 113 THR CB C 113 69.193 69.193 71.640 -2.447 19431 4610 1 12 . 1 1 2 2 GLU HA H 2 4.446 4.446 4.344 0.102 19431 4611 1 12 . 1 1 2 2 GLU CA C 2 53.359 53.359 55.689 -2.330 19431 4612 1 12 . 1 1 2 2 GLU CB C 2 29.108 29.108 30.562 -1.454 19431 4613 1 12 . 1 1 3 3 ILE N N 3 123.144 123.144 124.746 -1.602 19431 4614 1 12 . 1 1 3 3 ILE HA H 3 4.358 4.358 4.429 -0.071 19431 4615 1 12 . 1 1 3 3 ILE CA C 3 57.727 57.727 59.087 -1.360 19431 4616 1 12 . 1 1 3 3 ILE CB C 3 35.665 35.665 38.185 -2.520 19431 4617 1 12 . 1 1 4 4 LEU N N 4 127.461 127.461 128.004 -0.543 19431 4618 1 12 . 1 1 4 4 LEU HA H 4 4.554 4.554 4.520 0.034 19431 4619 1 12 . 1 1 4 4 LEU CA C 4 51.011 51.011 53.806 -2.795 19431 4620 1 12 . 1 1 4 4 LEU CB C 4 41.209 41.209 42.905 -1.696 19431 4621 1 12 . 1 1 5 5 LYS N N 5 121.611 121.611 121.115 0.496 19431 4622 1 12 . 1 1 5 5 LYS HA H 5 4.436 4.436 4.300 0.136 19431 4623 1 12 . 1 1 5 5 LYS CA C 5 53.150 53.150 56.002 -2.852 19431 4624 1 12 . 1 1 5 5 LYS CB C 5 29.359 29.359 31.905 -2.546 19431 4625 1 12 . 1 1 6 6 GLU N N 6 115.825 115.825 114.298 1.527 19431 4626 1 12 . 1 1 6 6 GLU HA H 6 4.269 4.269 4.691 -0.422 19431 4627 1 12 . 1 1 6 6 GLU CA C 6 51.331 51.331 54.345 -3.014 19431 4628 1 12 . 1 1 6 6 GLU CB C 6 29.583 29.583 31.545 -1.962 19431 4629 1 12 . 1 1 7 7 LEU N N 7 118.967 118.967 122.220 -3.253 19431 4630 1 12 . 1 1 7 7 LEU HA H 7 4.311 4.311 4.490 -0.179 19431 4631 1 12 . 1 1 7 7 LEU CA C 7 50.182 50.182 53.307 -3.125 19431 4632 1 12 . 1 1 7 7 LEU CB C 7 39.422 39.422 41.325 -1.903 19431 4633 1 12 . 1 1 8 8 PRO HA H 8 4.432 4.432 4.461 -0.029 19431 4634 1 12 . 1 1 8 8 PRO CA C 8 59.119 59.119 62.384 -3.265 19431 4635 1 12 . 1 1 8 8 PRO CB C 8 29.306 29.306 32.555 -3.249 19431 4636 1 12 . 1 1 9 9 GLU N N 9 121.059 121.059 118.694 2.365 19431 4637 1 12 . 1 1 9 9 GLU HA H 9 4.033 4.033 4.265 -0.232 19431 4638 1 12 . 1 1 9 9 GLU CA C 9 55.281 55.281 57.118 -1.837 19431 4639 1 12 . 1 1 9 9 GLU CB C 9 26.864 26.864 29.445 -2.581 19431 4640 1 12 . 1 1 10 10 GLY N N 10 112.279 112.279 111.891 0.388 19431 4641 1 12 . 1 1 10 10 GLY CA C 10 42.029 42.029 44.659 -2.630 19431 4642 1 12 . 1 1 11 11 PHE N N 11 117.612 117.612 117.575 0.037 19431 4643 1 12 . 1 1 11 11 PHE HA H 11 4.660 4.660 4.852 -0.192 19431 4644 1 12 . 1 1 11 11 PHE CA C 11 54.280 54.280 56.555 -2.275 19431 4645 1 12 . 1 1 11 11 PHE CB C 11 39.721 39.721 41.094 -1.373 19431 4646 1 12 . 1 1 12 12 ASP N N 12 121.568 121.568 120.617 0.951 19431 4647 1 12 . 1 1 12 12 ASP HA H 12 4.875 4.875 4.807 0.068 19431 4648 1 12 . 1 1 12 12 ASP CA C 12 49.676 49.676 53.363 -3.687 19431 4649 1 12 . 1 1 12 12 ASP CB C 12 42.307 42.307 43.265 -0.958 19431 4650 1 12 . 1 1 13 13 LYS N N 13 125.770 125.770 124.417 1.353 19431 4651 1 12 . 1 1 13 13 LYS HA H 13 3.294 3.294 3.327 -0.033 19431 4652 1 12 . 1 1 13 13 LYS CA C 13 58.046 58.046 59.502 -1.456 19431 4653 1 12 . 1 1 13 13 LYS CB C 13 30.216 30.216 32.273 -2.057 19431 4654 1 12 . 1 1 14 14 GLU N N 14 118.590 118.590 118.846 -0.256 19431 4655 1 12 . 1 1 14 14 GLU HA H 14 4.090 4.090 4.206 -0.116 19431 4656 1 12 . 1 1 14 14 GLU CA C 14 56.364 56.364 59.207 -2.843 19431 4657 1 12 . 1 1 14 14 GLU CB C 14 26.479 26.479 29.814 -3.335 19431 4658 1 12 . 1 1 15 15 THR N N 15 118.372 118.372 118.087 0.285 19431 4659 1 12 . 1 1 15 15 THR HA H 15 3.737 3.737 3.950 -0.213 19431 4660 1 12 . 1 1 15 15 THR CA C 15 63.974 63.974 66.843 -2.869 19431 4661 1 12 . 1 1 15 15 THR CB C 15 65.565 65.565 68.766 -3.201 19431 4662 1 12 . 1 1 16 16 VAL N N 16 121.083 121.083 122.270 -1.187 19431 4663 1 12 . 1 1 16 16 VAL HA H 16 3.329 3.329 3.359 -0.030 19431 4664 1 12 . 1 1 16 16 VAL CA C 16 64.214 64.214 66.671 -2.457 19431 4665 1 12 . 1 1 16 16 VAL CB C 16 29.011 29.011 31.771 -2.760 19431 4666 1 12 . 1 1 17 17 ARG N N 17 119.409 119.409 119.531 -0.122 19431 4667 1 12 . 1 1 17 17 ARG HA H 17 3.737 3.737 3.947 -0.210 19431 4668 1 12 . 1 1 17 17 ARG CA C 17 58.049 58.049 60.012 -1.963 19431 4669 1 12 . 1 1 17 17 ARG CB C 17 27.401 27.401 30.207 -2.806 19431 4670 1 12 . 1 1 18 18 LYS N N 18 116.168 116.168 118.410 -2.242 19431 4671 1 12 . 1 1 18 18 LYS HA H 18 3.800 3.800 3.940 -0.140 19431 4672 1 12 . 1 1 18 18 LYS CA C 18 57.031 57.031 59.745 -2.713 19431 4673 1 12 . 1 1 18 18 LYS CB C 18 29.801 29.801 32.208 -2.407 19431 4674 1 12 . 1 1 19 19 GLN N N 19 120.008 120.008 117.524 2.484 19431 4675 1 12 . 1 1 19 19 GLN HA H 19 3.767 3.767 4.069 -0.302 19431 4676 1 12 . 1 1 19 19 GLN CA C 19 54.492 54.492 58.146 -3.654 19431 4677 1 12 . 1 1 19 19 GLN CB C 19 26.490 26.490 28.253 -1.763 19431 4678 1 12 . 1 1 20 20 ALA N N 20 122.405 122.405 121.989 0.416 19431 4679 1 12 . 1 1 20 20 ALA HA H 20 4.404 4.404 4.399 0.005 19431 4680 1 12 . 1 1 20 20 ALA CA C 20 52.036 52.036 54.624 -2.588 19431 4681 1 12 . 1 1 20 20 ALA CB C 20 16.407 16.407 18.573 -2.166 19431 4682 1 12 . 1 1 21 21 MET N N 21 115.042 115.042 118.264 -3.222 19431 4683 1 12 . 1 1 21 21 MET HA H 21 3.354 3.354 3.738 -0.384 19431 4684 1 12 . 1 1 21 21 MET CA C 21 56.861 56.861 59.322 -2.461 19431 4685 1 12 . 1 1 21 21 MET CB C 21 30.538 30.538 32.139 -1.601 19431 4686 1 12 . 1 1 22 22 GLU N N 22 118.882 118.882 119.105 -0.223 19431 4687 1 12 . 1 1 22 22 GLU HA H 22 3.923 3.923 4.024 -0.101 19431 4688 1 12 . 1 1 22 22 GLU CA C 22 56.675 56.675 59.340 -2.665 19431 4689 1 12 . 1 1 22 22 GLU CB C 22 26.613 26.613 28.945 -2.332 19431 4690 1 12 . 1 1 23 23 ASP N N 23 122.549 122.549 119.810 2.739 19431 4691 1 12 . 1 1 23 23 ASP HA H 23 4.658 4.658 4.446 0.212 19431 4692 1 12 . 1 1 23 23 ASP CA C 23 55.053 55.053 57.023 -1.970 19431 4693 1 12 . 1 1 23 23 ASP CB C 23 37.479 37.479 40.896 -3.417 19431 4694 1 12 . 1 1 24 24 ILE N N 24 123.580 123.580 119.071 4.509 19431 4695 1 12 . 1 1 24 24 ILE HA H 24 3.678 3.678 3.405 0.273 19431 4696 1 12 . 1 1 24 24 ILE CA C 24 63.201 63.201 64.755 -1.554 19431 4697 1 12 . 1 1 24 24 ILE CB C 24 35.138 35.138 37.692 -2.554 19431 4698 1 12 . 1 1 25 25 GLU N N 25 120.591 120.591 119.306 1.285 19431 4699 1 12 . 1 1 25 25 GLU HA H 25 3.885 3.885 3.908 -0.023 19431 4700 1 12 . 1 1 25 25 GLU CA C 25 57.824 57.824 59.286 -1.462 19431 4701 1 12 . 1 1 25 25 GLU CB C 25 25.883 25.883 29.489 -3.606 19431 4702 1 12 . 1 1 26 26 ILE N N 26 121.350 121.350 117.969 3.381 19431 4703 1 12 . 1 1 26 26 ILE HA H 26 3.718 3.718 3.829 -0.111 19431 4704 1 12 . 1 1 26 26 ILE CA C 26 62.881 62.881 64.746 -1.865 19431 4705 1 12 . 1 1 26 26 ILE CB C 26 35.324 35.324 38.009 -2.685 19431 4706 1 12 . 1 1 27 27 ALA N N 27 120.204 120.204 121.107 -0.903 19431 4707 1 12 . 1 1 28 28 GLN N N 28 114.627 114.627 117.838 -3.211 19431 4708 1 12 . 1 1 28 28 GLN CB C 28 26.380 26.380 28.913 -2.533 19431 4709 1 12 . 1 1 29 29 SER N N 29 115.031 115.031 112.130 2.901 19431 4710 1 12 . 1 1 29 29 SER HA H 29 4.260 4.260 4.506 -0.246 19431 4711 1 12 . 1 1 29 29 SER CA C 29 57.768 57.768 58.249 -0.481 19431 4712 1 12 . 1 1 29 29 SER CB C 29 61.367 61.367 63.032 -1.665 19431 4713 1 12 . 1 1 30 30 LYS N N 30 112.834 112.834 120.742 -7.908 19431 4714 1 12 . 1 1 30 30 LYS HA H 30 4.228 4.228 3.847 0.381 19431 4715 1 12 . 1 1 30 30 LYS CA C 30 56.103 56.103 57.322 -1.218 19431 4716 1 12 . 1 1 30 30 LYS CB C 30 26.478 26.478 30.772 -4.294 19431 4717 1 12 . 1 1 31 31 ASP N N 31 121.067 121.067 118.752 2.315 19431 4718 1 12 . 1 1 31 31 ASP HA H 31 4.877 4.877 4.367 0.510 19431 4719 1 12 . 1 1 31 31 ASP CA C 31 49.742 49.742 53.517 -3.775 19431 4720 1 12 . 1 1 31 31 ASP CB C 31 38.652 38.652 42.083 -3.431 19431 4721 1 12 . 1 1 32 32 TYR N N 32 126.671 126.671 120.992 5.679 19431 4722 1 12 . 1 1 32 32 TYR HA H 32 3.311 3.311 4.632 -1.321 19431 4723 1 12 . 1 1 32 32 TYR CA C 32 57.951 57.951 60.410 -2.459 19431 4724 1 12 . 1 1 32 32 TYR CB C 32 36.158 36.158 39.078 -2.920 19431 4725 1 12 . 1 1 33 33 GLU N N 33 115.884 115.884 119.945 -4.061 19431 4726 1 12 . 1 1 33 33 GLU HA H 33 3.442 3.442 4.266 -0.824 19431 4727 1 12 . 1 1 33 33 GLU CA C 33 56.757 56.757 59.402 -2.645 19431 4728 1 12 . 1 1 33 33 GLU CB C 33 26.095 26.095 28.610 -2.515 19431 4729 1 12 . 1 1 34 34 SER N N 34 116.060 116.060 114.777 1.283 19431 4730 1 12 . 1 1 34 34 SER HA H 34 4.026 4.026 4.310 -0.284 19431 4731 1 12 . 1 1 34 34 SER CA C 34 58.953 58.953 60.912 -1.959 19431 4732 1 12 . 1 1 34 34 SER CB C 34 59.683 59.683 63.258 -3.575 19431 4733 1 12 . 1 1 35 35 TRP N N 35 123.977 123.977 121.740 2.237 19431 4734 1 12 . 1 1 35 35 TRP CA C 35 57.894 57.894 58.897 -1.003 19431 4735 1 12 . 1 1 35 35 TRP CB C 35 25.531 25.531 29.400 -3.869 19431 4736 1 12 . 1 1 36 36 LYS N N 36 117.633 117.633 120.403 -2.770 19431 4737 1 12 . 1 1 36 36 LYS HA H 36 3.128 3.128 3.836 -0.708 19431 4738 1 12 . 1 1 36 36 LYS CA C 36 55.998 55.998 60.058 -4.060 19431 4739 1 12 . 1 1 36 36 LYS CB C 36 29.304 29.304 32.036 -2.732 19431 4740 1 12 . 1 1 37 37 SER N N 37 109.835 109.835 112.855 -3.020 19431 4741 1 12 . 1 1 37 37 SER HA H 37 3.989 3.989 4.257 -0.268 19431 4742 1 12 . 1 1 37 37 SER CA C 37 57.765 57.765 60.797 -3.033 19431 4743 1 12 . 1 1 37 37 SER CB C 37 60.606 60.606 62.978 -2.372 19431 4744 1 12 . 1 1 38 38 ARG N N 38 119.946 119.946 118.621 1.325 19431 4745 1 12 . 1 1 38 38 ARG HA H 38 4.144 4.144 4.229 -0.085 19431 4746 1 12 . 1 1 38 38 ARG CA C 38 51.208 51.208 55.982 -4.774 19431 4747 1 12 . 1 1 38 38 ARG CB C 38 25.717 25.717 30.327 -4.610 19431 4748 1 12 . 1 1 39 39 PHE N N 39 117.529 117.529 118.051 -0.522 19431 4749 1 12 . 1 1 39 39 PHE HA H 39 4.855 4.855 4.958 -0.103 19431 4750 1 12 . 1 1 39 39 PHE CA C 39 54.234 54.234 57.795 -3.561 19431 4751 1 12 . 1 1 39 39 PHE CB C 39 37.547 37.547 40.681 -3.134 19431 4752 1 12 . 1 1 40 40 THR N N 40 113.296 113.296 111.708 1.588 19431 4753 1 12 . 1 1 40 40 THR HA H 40 3.991 3.991 4.400 -0.409 19431 4754 1 12 . 1 1 40 40 THR CA C 40 59.704 59.704 61.198 -1.494 19431 4755 1 12 . 1 1 40 40 THR CB C 40 66.175 66.175 71.049 -4.873 19431 4756 1 12 . 1 1 41 41 LYS N N 41 124.924 124.924 122.134 2.790 19431 4757 1 12 . 1 1 41 41 LYS HA H 41 3.713 3.713 3.935 -0.222 19431 4758 1 12 . 1 1 41 41 LYS CA C 41 57.650 57.650 60.568 -2.917 19431 4759 1 12 . 1 1 41 41 LYS CB C 41 29.363 29.363 32.103 -2.740 19431 4760 1 12 . 1 1 42 42 ASP N N 42 116.255 116.255 119.557 -3.302 19431 4761 1 12 . 1 1 42 42 ASP HA H 42 4.343 4.343 4.398 -0.055 19431 4762 1 12 . 1 1 42 42 ASP CA C 42 53.841 53.841 57.680 -3.839 19431 4763 1 12 . 1 1 42 42 ASP CB C 42 37.703 37.703 40.548 -2.845 19431 4764 1 12 . 1 1 43 43 LEU N N 43 119.134 119.134 119.515 -0.381 19431 4765 1 12 . 1 1 43 43 LEU HA H 43 4.320 4.320 3.956 0.364 19431 4766 1 12 . 1 1 43 43 LEU CA C 43 52.423 52.423 57.856 -5.433 19431 4767 1 12 . 1 1 43 43 LEU CB C 43 40.023 40.023 41.313 -1.290 19431 4768 1 12 . 1 1 44 44 GLN N N 44 119.455 119.455 117.995 1.460 19431 4769 1 12 . 1 1 44 44 GLN HA H 44 3.466 3.466 3.915 -0.449 19431 4770 1 12 . 1 1 44 44 GLN CA C 44 57.437 57.437 58.847 -1.411 19431 4771 1 12 . 1 1 44 44 GLN CB C 44 25.394 25.394 28.659 -3.265 19431 4772 1 12 . 1 1 45 45 SER N N 45 110.605 110.605 113.686 -3.081 19431 4773 1 12 . 1 1 45 45 SER HA H 45 4.211 4.211 4.463 -0.252 19431 4774 1 12 . 1 1 45 45 SER CA C 45 57.621 57.621 59.827 -2.206 19431 4775 1 12 . 1 1 45 45 SER CB C 45 60.094 60.094 63.481 -3.387 19431 4776 1 12 . 1 1 46 46 SER N N 46 115.075 115.075 115.149 -0.074 19431 4777 1 12 . 1 1 46 46 SER HA H 46 4.473 4.473 4.587 -0.114 19431 4778 1 12 . 1 1 46 46 SER CA C 46 55.739 55.739 58.067 -2.328 19431 4779 1 12 . 1 1 46 46 SER CB C 46 61.628 61.628 63.943 -2.315 19431 4780 1 12 . 1 1 47 47 LEU N N 47 124.984 124.984 124.548 0.436 19431 4781 1 12 . 1 1 47 47 LEU HA H 47 4.334 4.334 4.144 0.190 19431 4782 1 12 . 1 1 47 47 LEU CA C 47 52.040 52.040 55.602 -3.562 19431 4783 1 12 . 1 1 47 47 LEU CB C 47 39.810 39.810 42.370 -2.560 19431 4784 1 12 . 1 1 48 48 THR N N 48 111.152 111.152 114.531 -3.379 19431 4785 1 12 . 1 1 48 48 THR HA H 48 4.665 4.665 4.562 0.103 19431 4786 1 12 . 1 1 48 48 THR CA C 48 56.718 56.718 60.666 -3.948 19431 4787 1 12 . 1 1 48 48 THR CB C 48 69.103 69.103 69.804 -0.701 19431 4788 1 12 . 1 1 49 49 GLU N N 49 124.552 124.552 125.942 -1.390 19431 4789 1 12 . 1 1 49 49 GLU HA H 49 3.194 3.194 4.291 -1.097 19431 4790 1 12 . 1 1 49 49 GLU CA C 49 56.770 56.770 59.613 -2.843 19431 4791 1 12 . 1 1 49 49 GLU CB C 49 26.148 26.148 29.512 -3.365 19431 4792 1 12 . 1 1 50 50 GLU N N 50 118.615 118.615 119.456 -0.841 19431 4793 1 12 . 1 1 50 50 GLU HA H 50 4.000 4.000 4.020 -0.020 19431 4794 1 12 . 1 1 50 50 GLU CA C 50 57.357 57.357 59.251 -1.894 19431 4795 1 12 . 1 1 50 50 GLU CB C 50 26.511 26.511 29.185 -2.674 19431 4796 1 12 . 1 1 51 51 SER N N 51 116.380 116.380 113.580 2.800 19431 4797 1 12 . 1 1 51 51 SER HA H 51 4.256 4.256 4.359 -0.103 19431 4798 1 12 . 1 1 51 51 SER CA C 51 58.825 58.825 61.770 -2.945 19431 4799 1 12 . 1 1 51 51 SER CB C 51 59.884 59.884 63.469 -3.585 19431 4800 1 12 . 1 1 52 52 TYR N N 52 125.611 125.611 119.060 6.551 19431 4801 1 12 . 1 1 52 52 TYR CB C 52 36.647 36.647 38.905 -2.258 19431 4802 1 12 . 1 1 53 53 ASP N N 53 119.653 119.653 120.769 -1.116 19431 4803 1 12 . 1 1 53 53 ASP HA H 53 4.115 4.115 3.922 0.193 19431 4804 1 12 . 1 1 53 53 ASP CA C 53 54.553 54.553 57.668 -3.115 19431 4805 1 12 . 1 1 53 53 ASP CB C 53 37.477 37.477 40.589 -3.111 19431 4806 1 12 . 1 1 54 54 SER N N 54 114.883 114.883 115.199 -0.316 19431 4807 1 12 . 1 1 54 54 SER HA H 54 3.946 3.946 4.109 -0.163 19431 4808 1 12 . 1 1 54 54 SER CA C 54 59.741 59.741 61.592 -1.851 19431 4809 1 12 . 1 1 54 54 SER CB C 54 59.750 59.750 62.956 -3.206 19431 4810 1 12 . 1 1 55 55 TYR N N 55 123.933 123.933 124.661 -0.728 19431 4811 1 12 . 1 1 55 55 TYR HA H 55 4.361 4.361 4.322 0.039 19431 4812 1 12 . 1 1 55 55 TYR CA C 55 57.213 57.213 60.621 -3.408 19431 4813 1 12 . 1 1 55 55 TYR CB C 55 34.024 34.024 38.120 -4.096 19431 4814 1 12 . 1 1 56 56 LEU N N 56 119.758 119.758 118.368 1.390 19431 4815 1 12 . 1 1 56 56 LEU HA H 56 3.252 3.252 3.412 -0.160 19431 4816 1 12 . 1 1 56 56 LEU CA C 56 54.681 54.681 57.358 -2.677 19431 4817 1 12 . 1 1 56 56 LEU CB C 56 38.151 38.151 41.122 -2.971 19431 4818 1 12 . 1 1 57 57 LYS N N 57 118.487 118.487 117.803 0.684 19431 4819 1 12 . 1 1 57 57 LYS HA H 57 3.852 3.852 4.017 -0.165 19431 4820 1 12 . 1 1 57 57 LYS CA C 57 56.090 56.090 58.521 -2.431 19431 4821 1 12 . 1 1 57 57 LYS CB C 57 29.683 29.683 31.724 -2.041 19431 4822 1 12 . 1 1 58 58 ILE N N 58 120.887 120.887 118.077 2.810 19431 4823 1 12 . 1 1 58 58 ILE HA H 58 3.591 3.591 3.820 -0.229 19431 4824 1 12 . 1 1 58 58 ILE CA C 58 61.366 61.366 63.677 -2.311 19431 4825 1 12 . 1 1 58 58 ILE CB C 58 35.144 35.144 38.023 -2.878 19431 4826 1 12 . 1 1 59 59 LEU N N 59 122.273 122.273 122.263 0.010 19431 4827 1 12 . 1 1 59 59 LEU HA H 59 3.437 3.437 3.633 -0.196 19431 4828 1 12 . 1 1 59 59 LEU CA C 59 54.847 54.847 58.387 -3.540 19431 4829 1 12 . 1 1 59 59 LEU CB C 59 39.071 39.071 41.381 -2.310 19431 4830 1 12 . 1 1 60 60 GLU N N 60 118.591 118.591 115.603 2.988 19431 4831 1 12 . 1 1 60 60 GLU HA H 60 3.810 3.810 3.973 -0.163 19431 4832 1 12 . 1 1 60 60 GLU CA C 60 56.156 56.156 58.507 -2.351 19431 4833 1 12 . 1 1 60 60 GLU CB C 60 26.820 26.820 29.764 -2.944 19431 4834 1 12 . 1 1 61 61 LYS N N 61 115.698 115.698 114.151 1.547 19431 4835 1 12 . 1 1 61 61 LYS HA H 61 4.029 4.029 4.439 -0.410 19431 4836 1 12 . 1 1 61 61 LYS CA C 61 54.164 54.164 55.820 -1.656 19431 4837 1 12 . 1 1 61 61 LYS CB C 61 29.581 29.581 32.425 -2.844 19431 4838 1 12 . 1 1 62 62 GLN N N 62 114.863 114.863 118.197 -3.334 19431 4839 1 12 . 1 1 62 62 GLN HA H 62 3.851 3.851 4.368 -0.517 19431 4840 1 12 . 1 1 62 62 GLN CA C 62 52.258 52.258 55.903 -3.645 19431 4841 1 12 . 1 1 62 62 GLN CB C 62 25.186 25.186 30.266 -5.080 19431 4842 1 12 . 1 1 63 63 GLY N N 63 101.724 101.724 106.136 -4.412 19431 4843 1 12 . 1 1 63 63 GLY CA C 63 41.815 41.815 44.433 -2.618 19431 4844 1 12 . 1 1 64 64 GLU N N 64 118.731 118.731 121.381 -2.650 19431 4845 1 12 . 1 1 64 64 GLU HA H 64 4.137 4.137 4.768 -0.631 19431 4846 1 12 . 1 1 64 64 GLU CA C 64 54.598 54.598 54.451 0.147 19431 4847 1 12 . 1 1 64 64 GLU CB C 64 28.312 28.312 31.853 -3.541 19431 4848 1 12 . 1 1 65 65 PHE N N 65 123.366 123.366 125.231 -1.865 19431 4849 1 12 . 1 1 65 65 PHE HA H 65 3.825 3.825 3.813 0.012 19431 4850 1 12 . 1 1 65 65 PHE CA C 65 57.419 57.419 58.007 -0.588 19431 4851 1 12 . 1 1 65 65 PHE CB C 65 36.666 36.666 39.066 -2.400 19431 4852 1 12 . 1 1 66 66 LYS N N 66 125.336 125.336 126.595 -1.259 19431 4853 1 12 . 1 1 66 66 LYS HA H 66 4.168 4.168 4.069 0.099 19431 4854 1 12 . 1 1 66 66 LYS CA C 66 53.226 53.226 55.888 -2.662 19431 4855 1 12 . 1 1 66 66 LYS CB C 66 30.293 30.293 34.383 -4.090 19431 4856 1 12 . 1 1 67 67 GLU N N 67 112.076 112.076 117.583 -5.507 19431 4857 1 12 . 1 1 67 67 GLU HA H 67 4.069 4.069 4.162 -0.093 19431 4858 1 12 . 1 1 67 67 GLU CA C 67 52.907 52.907 56.057 -3.151 19431 4859 1 12 . 1 1 67 67 GLU CB C 67 29.378 29.378 32.016 -2.638 19431 4860 1 12 . 1 1 68 68 PHE N N 68 118.706 118.706 118.667 0.039 19431 4861 1 12 . 1 1 68 68 PHE CB C 68 38.408 38.408 41.328 -2.920 19431 4862 1 12 . 1 1 69 69 GLY N N 69 112.889 112.889 110.367 2.522 19431 4863 1 12 . 1 1 69 69 GLY CA C 69 41.353 41.353 45.221 -3.868 19431 4864 1 12 . 1 1 70 70 LYS N N 70 122.409 122.409 120.353 2.056 19431 4865 1 12 . 1 1 70 70 LYS HA H 70 4.085 4.085 4.549 -0.464 19431 4866 1 12 . 1 1 70 70 LYS CA C 70 54.418 54.418 55.709 -1.291 19431 4867 1 12 . 1 1 70 70 LYS CB C 70 31.197 31.197 34.860 -3.663 19431 4868 1 12 . 1 1 71 71 CYS N N 71 118.509 118.509 124.410 -5.901 19431 4869 1 12 . 1 1 71 71 CYS HA H 71 5.332 5.332 5.064 0.268 19431 4870 1 12 . 1 1 71 71 CYS CA C 71 54.655 54.655 57.364 -2.709 19431 4871 1 12 . 1 1 71 71 CYS CB C 71 28.223 28.223 28.142 0.081 19431 4872 1 12 . 1 1 72 72 THR N N 72 120.129 120.129 121.410 -1.281 19431 4873 1 12 . 1 1 72 72 THR HA H 72 4.272 4.272 4.301 -0.029 19431 4874 1 12 . 1 1 72 72 THR CA C 72 58.652 58.652 62.522 -3.870 19431 4875 1 12 . 1 1 72 72 THR CB C 72 68.199 68.199 69.740 -1.541 19431 4876 1 12 . 1 1 73 73 TYR N N 73 122.772 122.772 123.582 -0.810 19431 4877 1 12 . 1 1 73 73 TYR HA H 73 5.034 5.034 5.255 -0.221 19431 4878 1 12 . 1 1 73 73 TYR CA C 73 55.497 55.497 56.926 -1.429 19431 4879 1 12 . 1 1 73 73 TYR CB C 73 38.271 38.271 41.041 -2.770 19431 4880 1 12 . 1 1 74 74 LEU N N 74 117.980 117.980 116.658 1.322 19431 4881 1 12 . 1 1 74 74 LEU HA H 74 4.466 4.466 5.043 -0.577 19431 4882 1 12 . 1 1 74 74 LEU CA C 74 51.805 51.805 53.497 -1.692 19431 4883 1 12 . 1 1 74 74 LEU CB C 74 42.030 42.030 45.715 -3.685 19431 4884 1 12 . 1 1 75 75 GLY N N 75 105.257 105.257 104.873 0.384 19431 4885 1 12 . 1 1 75 75 GLY CA C 75 42.799 42.799 44.741 -1.942 19431 4886 1 12 . 1 1 76 76 GLN N N 76 119.071 119.071 117.472 1.599 19431 4887 1 12 . 1 1 76 76 GLN HA H 76 4.938 4.938 5.042 -0.104 19431 4888 1 12 . 1 1 76 76 GLN CA C 76 52.495 52.495 54.781 -2.285 19431 4889 1 12 . 1 1 76 76 GLN CB C 76 30.498 30.498 33.575 -3.078 19431 4890 1 12 . 1 1 77 77 ILE N N 77 123.550 123.550 121.785 1.765 19431 4891 1 12 . 1 1 77 77 ILE HA H 77 4.992 4.992 5.130 -0.138 19431 4892 1 12 . 1 1 77 77 ILE CA C 77 57.239 57.239 60.273 -3.034 19431 4893 1 12 . 1 1 77 77 ILE CB C 77 36.664 36.664 39.715 -3.051 19431 4894 1 12 . 1 1 78 78 LYS N N 78 127.532 127.532 129.137 -1.605 19431 4895 1 12 . 1 1 78 78 LYS HA H 78 4.585 4.585 4.232 0.353 19431 4896 1 12 . 1 1 78 78 LYS CA C 78 52.768 52.768 59.072 -6.304 19431 4897 1 12 . 1 1 78 78 LYS CB C 78 32.536 32.536 33.047 -0.511 19431 4898 1 12 . 1 1 79 79 ASP N N 79 128.019 128.019 115.205 12.814 19431 4899 1 12 . 1 1 79 79 ASP HA H 79 4.168 4.168 4.768 -0.600 19431 4900 1 12 . 1 1 79 79 ASP CA C 79 53.258 53.258 55.006 -1.748 19431 4901 1 12 . 1 1 79 79 ASP CB C 79 36.826 36.826 43.050 -6.224 19431 4902 1 12 . 1 1 80 80 ASN N N 80 110.608 110.608 116.921 -6.313 19431 4903 1 12 . 1 1 80 80 ASN HA H 80 4.168 4.168 4.718 -0.550 19431 4904 1 12 . 1 1 80 80 ASN CA C 80 51.912 51.912 53.130 -1.218 19431 4905 1 12 . 1 1 80 80 ASN CB C 80 35.506 35.506 39.347 -3.841 19431 4906 1 12 . 1 1 81 81 LYS N N 81 121.116 121.116 121.311 -0.195 19431 4907 1 12 . 1 1 81 81 LYS HA H 81 4.482 4.482 4.447 0.035 19431 4908 1 12 . 1 1 81 81 LYS CA C 81 52.353 52.353 54.714 -2.361 19431 4909 1 12 . 1 1 81 81 LYS CB C 81 32.119 32.119 34.511 -2.392 19431 4910 1 12 . 1 1 82 82 LYS N N 82 119.259 119.259 122.722 -3.463 19431 4911 1 12 . 1 1 82 82 LYS HA H 82 4.765 4.765 5.307 -0.542 19431 4912 1 12 . 1 1 82 82 LYS CA C 82 52.722 52.722 55.234 -2.512 19431 4913 1 12 . 1 1 82 82 LYS CB C 82 32.934 32.934 35.315 -2.381 19431 4914 1 12 . 1 1 83 83 TYR N N 83 118.176 118.176 119.677 -1.501 19431 4915 1 12 . 1 1 83 83 TYR HA H 83 5.275 5.275 4.901 0.374 19431 4916 1 12 . 1 1 83 83 TYR CA C 83 53.383 53.383 56.888 -3.505 19431 4917 1 12 . 1 1 83 83 TYR CB C 83 38.026 38.026 43.363 -5.337 19431 4918 1 12 . 1 1 84 84 GLY N N 84 111.686 111.686 108.047 3.639 19431 4919 1 12 . 1 1 84 84 GLY CA C 84 41.219 41.219 42.966 -1.747 19431 4920 1 12 . 1 1 85 85 GLY N N 85 111.232 111.232 109.253 1.979 19431 4921 1 12 . 1 1 85 85 GLY CA C 85 42.272 42.272 43.288 -1.016 19431 4922 1 12 . 1 1 86 86 VAL N N 86 115.256 115.256 120.991 -5.735 19431 4923 1 12 . 1 1 86 86 VAL HA H 86 5.127 5.127 5.265 -0.138 19431 4924 1 12 . 1 1 86 86 VAL CA C 86 55.741 55.741 59.350 -3.609 19431 4925 1 12 . 1 1 86 86 VAL CB C 86 33.129 33.129 35.544 -2.415 19431 4926 1 12 . 1 1 87 87 ILE N N 87 125.124 125.124 129.634 -4.510 19431 4927 1 12 . 1 1 87 87 ILE HA H 87 5.206 5.206 4.734 0.472 19431 4928 1 12 . 1 1 87 87 ILE CA C 87 57.168 57.168 60.320 -3.152 19431 4929 1 12 . 1 1 87 87 ILE CB C 87 36.590 36.590 38.045 -1.455 19431 4930 1 12 . 1 1 88 88 ILE N N 88 128.056 128.056 128.896 -0.840 19431 4931 1 12 . 1 1 88 88 ILE HA H 88 5.146 5.146 4.602 0.544 19431 4932 1 12 . 1 1 88 88 ILE CA C 88 55.356 55.356 59.260 -3.904 19431 4933 1 12 . 1 1 88 88 ILE CB C 88 39.847 39.847 40.288 -0.441 19431 4934 1 12 . 1 1 89 89 VAL N N 89 128.326 128.326 129.617 -1.291 19431 4935 1 12 . 1 1 89 89 VAL HA H 89 4.387 4.387 4.860 -0.473 19431 4936 1 12 . 1 1 89 89 VAL CA C 89 59.839 59.839 61.297 -1.458 19431 4937 1 12 . 1 1 89 89 VAL CB C 89 30.295 30.295 32.977 -2.683 19431 4938 1 12 . 1 1 90 90 VAL N N 90 128.738 128.738 129.005 -0.267 19431 4939 1 12 . 1 1 90 90 VAL HA H 90 4.207 4.207 4.907 -0.700 19431 4940 1 12 . 1 1 90 90 VAL CA C 90 59.722 59.722 60.241 -0.519 19431 4941 1 12 . 1 1 90 90 VAL CB C 90 31.537 31.537 34.336 -2.799 19431 4942 1 12 . 1 1 91 91 LYS N N 91 126.004 126.004 130.612 -4.608 19431 4943 1 12 . 1 1 91 91 LYS HA H 91 4.629 4.629 4.679 -0.050 19431 4944 1 12 . 1 1 91 91 LYS CA C 91 52.972 52.972 55.304 -2.332 19431 4945 1 12 . 1 1 91 91 LYS CB C 91 30.789 30.789 32.776 -1.987 19431 4946 1 12 . 1 1 92 92 TYR N N 92 123.932 123.932 126.061 -2.129 19431 4947 1 12 . 1 1 92 92 TYR HA H 92 4.940 4.940 4.808 0.132 19431 4948 1 12 . 1 1 92 92 TYR CA C 92 53.905 53.905 57.492 -3.587 19431 4949 1 12 . 1 1 92 92 TYR CB C 92 39.331 39.331 39.889 -0.558 19431 4950 1 12 . 1 1 93 93 GLU N N 93 122.195 122.195 118.797 3.398 19431 4951 1 12 . 1 1 93 93 GLU HA H 93 3.834 3.834 4.117 -0.283 19431 4952 1 12 . 1 1 93 93 GLU CA C 93 57.465 57.465 59.074 -1.609 19431 4953 1 12 . 1 1 93 93 GLU CB C 93 28.695 28.695 29.962 -1.266 19431 4954 1 12 . 1 1 94 94 GLU N N 94 110.219 110.219 115.663 -5.444 19431 4955 1 12 . 1 1 94 94 GLU HA H 94 4.440 4.440 4.529 -0.089 19431 4956 1 12 . 1 1 94 94 GLU CA C 94 52.555 52.555 56.814 -4.259 19431 4957 1 12 . 1 1 94 94 GLU CB C 94 26.861 26.861 32.941 -6.080 19431 4958 1 12 . 1 1 95 95 GLY N N 95 106.566 106.566 108.014 -1.448 19431 4959 1 12 . 1 1 95 95 GLY CA C 95 42.542 42.542 44.163 -1.621 19431 4960 1 12 . 1 1 96 96 ASN N N 96 116.707 116.707 117.953 -1.246 19431 4961 1 12 . 1 1 96 96 ASN HA H 96 5.720 5.720 6.147 -0.427 19431 4962 1 12 . 1 1 96 96 ASN CA C 96 49.003 49.003 52.330 -3.327 19431 4963 1 12 . 1 1 96 96 ASN CB C 96 37.602 37.602 42.622 -5.020 19431 4964 1 12 . 1 1 97 97 VAL N N 97 122.002 122.002 123.009 -1.007 19431 4965 1 12 . 1 1 97 97 VAL HA H 97 4.117 4.117 4.231 -0.114 19431 4966 1 12 . 1 1 97 97 VAL CA C 97 58.404 58.404 60.879 -2.475 19431 4967 1 12 . 1 1 97 97 VAL CB C 97 33.456 33.456 33.594 -0.138 19431 4968 1 12 . 1 1 98 98 ASN N N 98 124.376 124.376 126.772 -2.396 19431 4969 1 12 . 1 1 98 98 ASN HA H 98 5.135 5.135 5.025 0.110 19431 4970 1 12 . 1 1 98 98 ASN CA C 98 48.630 48.630 52.743 -4.113 19431 4971 1 12 . 1 1 98 98 ASN CB C 98 36.031 36.031 37.624 -1.593 19431 4972 1 12 . 1 1 99 99 TYR N N 99 123.932 123.932 123.657 0.275 19431 4973 1 12 . 1 1 99 99 TYR HA H 99 4.640 4.640 4.363 0.277 19431 4974 1 12 . 1 1 99 99 TYR CA C 99 55.468 55.468 58.954 -3.486 19431 4975 1 12 . 1 1 99 99 TYR CB C 99 38.122 38.122 37.837 0.285 19431 4976 1 12 . 1 1 100 100 SER N N 100 115.327 115.327 120.493 -5.166 19431 4977 1 12 . 1 1 100 100 SER HA H 100 5.242 5.242 4.563 0.679 19431 4978 1 12 . 1 1 100 100 SER CA C 100 53.767 53.767 59.174 -5.407 19431 4979 1 12 . 1 1 100 100 SER CB C 100 60.649 60.649 62.144 -1.495 19431 4980 1 12 . 1 1 101 101 LEU N N 101 130.521 130.521 126.690 3.831 19431 4981 1 12 . 1 1 101 101 LEU HA H 101 4.978 4.978 4.607 0.371 19431 4982 1 12 . 1 1 101 101 LEU CA C 101 51.756 51.756 53.887 -2.131 19431 4983 1 12 . 1 1 101 101 LEU CB C 101 42.765 42.765 43.514 -0.749 19431 4984 1 12 . 1 1 102 102 ALA N N 102 121.373 121.373 125.090 -3.717 19431 4985 1 12 . 1 1 102 102 ALA HA H 102 4.994 4.994 5.091 -0.097 19431 4986 1 12 . 1 1 102 102 ALA CA C 102 48.505 48.505 50.239 -1.734 19431 4987 1 12 . 1 1 102 102 ALA CB C 102 19.355 19.355 22.744 -3.389 19431 4988 1 12 . 1 1 103 103 TYR N N 103 120.633 120.633 120.031 0.602 19431 4989 1 12 . 1 1 103 103 TYR HA H 103 5.311 5.311 5.729 -0.418 19431 4990 1 12 . 1 1 103 103 TYR CA C 103 55.519 55.519 55.399 0.120 19431 4991 1 12 . 1 1 103 103 TYR CB C 103 42.037 42.037 41.292 0.745 19431 4992 1 12 . 1 1 104 104 ASP N N 104 118.129 118.129 119.395 -1.266 19431 4993 1 12 . 1 1 104 104 ASP HA H 104 5.163 5.163 5.004 0.159 19431 4994 1 12 . 1 1 104 104 ASP CA C 104 49.372 49.372 51.826 -2.454 19431 4995 1 12 . 1 1 104 104 ASP CB C 104 39.054 39.054 43.994 -4.940 19431 4996 1 12 . 1 1 105 105 GLU N N 105 115.031 115.031 118.532 -3.501 19431 4997 1 12 . 1 1 105 105 GLU HA H 105 3.624 3.624 4.221 -0.597 19431 4998 1 12 . 1 1 105 105 GLU CA C 105 55.976 55.976 58.303 -2.327 19431 4999 1 12 . 1 1 105 105 GLU CB C 105 27.111 27.111 29.761 -2.650 19431 5000 1 12 . 1 1 106 106 ASP N N 106 119.038 119.038 118.208 0.830 19431 5001 1 12 . 1 1 107 107 MET N N 107 111.995 111.995 114.340 -2.345 19431 5002 1 12 . 1 1 107 107 MET HA H 107 4.343 4.343 4.041 0.302 19431 5003 1 12 . 1 1 107 107 MET CA C 107 51.671 51.671 55.994 -4.323 19431 5004 1 12 . 1 1 107 107 MET CB C 107 21.629 21.629 31.290 -9.661 19431 5005 1 12 . 1 1 108 108 ASN N N 108 117.079 117.079 115.070 2.009 19431 5006 1 12 . 1 1 108 108 ASN HA H 108 5.111 5.111 4.881 0.230 19431 5007 1 12 . 1 1 108 108 ASN CA C 108 49.519 49.519 51.544 -2.025 19431 5008 1 12 . 1 1 108 108 ASN CB C 108 37.221 37.221 39.129 -1.908 19431 5009 1 12 . 1 1 109 109 LEU N N 109 122.211 122.211 122.030 0.181 19431 5010 1 12 . 1 1 109 109 LEU HA H 109 4.020 4.020 4.249 -0.229 19431 5011 1 12 . 1 1 109 109 LEU CA C 109 52.898 52.898 56.191 -3.293 19431 5012 1 12 . 1 1 109 109 LEU CB C 109 40.774 40.774 41.387 -0.613 19431 5013 1 12 . 1 1 110 110 VAL N N 110 109.806 109.806 124.914 -15.108 19431 5014 1 12 . 1 1 110 110 VAL HA H 110 4.551 4.551 4.374 0.177 19431 5015 1 12 . 1 1 110 110 VAL CA C 110 57.276 57.276 61.641 -4.365 19431 5016 1 12 . 1 1 110 110 VAL CB C 110 30.242 30.242 33.526 -3.284 19431 5017 1 12 . 1 1 111 111 SER N N 111 113.487 113.487 113.780 -0.293 19431 5018 1 12 . 1 1 111 111 SER HA H 111 4.476 4.476 4.774 -0.298 19431 5019 1 12 . 1 1 111 111 SER CA C 111 55.637 55.637 57.867 -2.230 19431 5020 1 12 . 1 1 111 111 SER CB C 111 61.288 61.288 64.833 -3.545 19431 5021 1 12 . 1 1 112 112 PHE N N 112 126.988 126.988 127.293 -0.305 19431 5022 1 12 . 1 1 112 112 PHE HA H 112 4.991 4.991 5.048 -0.057 19431 5023 1 12 . 1 1 112 112 PHE CA C 112 55.305 55.305 56.847 -1.542 19431 5024 1 12 . 1 1 112 112 PHE CB C 112 40.128 40.128 41.618 -1.490 19431 5025 1 12 . 1 1 113 113 THR N N 113 120.333 120.333 120.166 0.167 19431 5026 1 12 . 1 1 113 113 THR HA H 113 4.775 4.775 4.173 0.602 19431 5027 1 12 . 1 1 113 113 THR CA C 113 57.888 57.888 59.715 -1.827 19431 5028 1 12 . 1 1 113 113 THR CB C 113 69.193 69.193 71.466 -2.273 19431 5029 1 13 . 1 1 2 2 GLU HA H 2 4.446 4.446 4.573 -0.127 19431 5030 1 13 . 1 1 2 2 GLU CA C 2 53.359 53.359 55.142 -1.783 19431 5031 1 13 . 1 1 2 2 GLU CB C 2 29.108 29.108 32.838 -3.730 19431 5032 1 13 . 1 1 3 3 ILE N N 3 123.144 123.144 125.003 -1.859 19431 5033 1 13 . 1 1 3 3 ILE HA H 3 4.358 4.358 4.455 -0.097 19431 5034 1 13 . 1 1 3 3 ILE CA C 3 57.727 57.727 59.104 -1.377 19431 5035 1 13 . 1 1 3 3 ILE CB C 3 35.665 35.665 36.776 -1.111 19431 5036 1 13 . 1 1 4 4 LEU N N 4 127.461 127.461 127.983 -0.522 19431 5037 1 13 . 1 1 4 4 LEU HA H 4 4.554 4.554 4.460 0.094 19431 5038 1 13 . 1 1 4 4 LEU CA C 4 51.011 51.011 55.110 -4.099 19431 5039 1 13 . 1 1 4 4 LEU CB C 4 41.209 41.209 42.882 -1.673 19431 5040 1 13 . 1 1 5 5 LYS N N 5 121.611 121.611 116.683 4.928 19431 5041 1 13 . 1 1 5 5 LYS HA H 5 4.436 4.436 4.331 0.105 19431 5042 1 13 . 1 1 5 5 LYS CA C 5 53.150 53.150 56.232 -3.082 19431 5043 1 13 . 1 1 5 5 LYS CB C 5 29.359 29.359 32.074 -2.715 19431 5044 1 13 . 1 1 6 6 GLU N N 6 115.825 115.825 115.016 0.809 19431 5045 1 13 . 1 1 6 6 GLU HA H 6 4.269 4.269 4.679 -0.410 19431 5046 1 13 . 1 1 6 6 GLU CA C 6 51.331 51.331 54.923 -3.592 19431 5047 1 13 . 1 1 6 6 GLU CB C 6 29.583 29.583 31.359 -1.776 19431 5048 1 13 . 1 1 7 7 LEU N N 7 118.967 118.967 122.128 -3.161 19431 5049 1 13 . 1 1 7 7 LEU HA H 7 4.311 4.311 4.631 -0.320 19431 5050 1 13 . 1 1 7 7 LEU CA C 7 50.182 50.182 53.255 -3.072 19431 5051 1 13 . 1 1 7 7 LEU CB C 7 39.422 39.422 41.349 -1.927 19431 5052 1 13 . 1 1 8 8 PRO HA H 8 4.432 4.432 4.529 -0.097 19431 5053 1 13 . 1 1 8 8 PRO CA C 8 59.119 59.119 62.508 -3.389 19431 5054 1 13 . 1 1 8 8 PRO CB C 8 29.306 29.306 32.155 -2.849 19431 5055 1 13 . 1 1 9 9 GLU N N 9 121.059 121.059 117.071 3.988 19431 5056 1 13 . 1 1 9 9 GLU HA H 9 4.033 4.033 4.202 -0.169 19431 5057 1 13 . 1 1 9 9 GLU CA C 9 55.281 55.281 55.999 -0.718 19431 5058 1 13 . 1 1 9 9 GLU CB C 9 26.864 26.864 29.355 -2.491 19431 5059 1 13 . 1 1 10 10 GLY N N 10 112.279 112.279 107.992 4.287 19431 5060 1 13 . 1 1 10 10 GLY CA C 10 42.029 42.029 45.364 -3.335 19431 5061 1 13 . 1 1 11 11 PHE N N 11 117.612 117.612 119.694 -2.082 19431 5062 1 13 . 1 1 11 11 PHE HA H 11 4.660 4.660 4.804 -0.144 19431 5063 1 13 . 1 1 11 11 PHE CA C 11 54.280 54.280 56.298 -2.018 19431 5064 1 13 . 1 1 11 11 PHE CB C 11 39.721 39.721 40.598 -0.877 19431 5065 1 13 . 1 1 12 12 ASP N N 12 121.568 121.568 120.186 1.382 19431 5066 1 13 . 1 1 12 12 ASP HA H 12 4.875 4.875 4.792 0.083 19431 5067 1 13 . 1 1 12 12 ASP CA C 12 49.676 49.676 53.690 -4.014 19431 5068 1 13 . 1 1 12 12 ASP CB C 12 42.307 42.307 43.109 -0.802 19431 5069 1 13 . 1 1 13 13 LYS N N 13 125.770 125.770 124.499 1.271 19431 5070 1 13 . 1 1 13 13 LYS HA H 13 3.294 3.294 3.511 -0.217 19431 5071 1 13 . 1 1 13 13 LYS CA C 13 58.046 58.046 58.772 -0.725 19431 5072 1 13 . 1 1 13 13 LYS CB C 13 30.216 30.216 32.293 -2.077 19431 5073 1 13 . 1 1 14 14 GLU N N 14 118.590 118.590 118.500 0.090 19431 5074 1 13 . 1 1 14 14 GLU HA H 14 4.090 4.090 4.276 -0.186 19431 5075 1 13 . 1 1 14 14 GLU CA C 14 56.364 56.364 58.962 -2.598 19431 5076 1 13 . 1 1 14 14 GLU CB C 14 26.479 26.479 29.376 -2.897 19431 5077 1 13 . 1 1 15 15 THR N N 15 118.372 118.372 118.253 0.119 19431 5078 1 13 . 1 1 15 15 THR HA H 15 3.737 3.737 4.169 -0.432 19431 5079 1 13 . 1 1 15 15 THR CA C 15 63.974 63.974 66.899 -2.925 19431 5080 1 13 . 1 1 15 15 THR CB C 15 65.565 65.565 68.724 -3.159 19431 5081 1 13 . 1 1 16 16 VAL N N 16 121.083 121.083 121.251 -0.168 19431 5082 1 13 . 1 1 16 16 VAL HA H 16 3.329 3.329 4.062 -0.733 19431 5083 1 13 . 1 1 16 16 VAL CA C 16 64.214 64.214 66.168 -1.954 19431 5084 1 13 . 1 1 16 16 VAL CB C 16 29.011 29.011 31.443 -2.432 19431 5085 1 13 . 1 1 17 17 ARG N N 17 119.409 119.409 119.505 -0.096 19431 5086 1 13 . 1 1 17 17 ARG HA H 17 3.737 3.737 3.971 -0.234 19431 5087 1 13 . 1 1 17 17 ARG CA C 17 58.049 58.049 59.774 -1.725 19431 5088 1 13 . 1 1 17 17 ARG CB C 17 27.401 27.401 30.162 -2.761 19431 5089 1 13 . 1 1 18 18 LYS N N 18 116.168 116.168 119.071 -2.903 19431 5090 1 13 . 1 1 18 18 LYS HA H 18 3.800 3.800 3.972 -0.172 19431 5091 1 13 . 1 1 18 18 LYS CA C 18 57.031 57.031 58.781 -1.750 19431 5092 1 13 . 1 1 18 18 LYS CB C 18 29.801 29.801 31.869 -2.068 19431 5093 1 13 . 1 1 19 19 GLN N N 19 120.008 120.008 118.642 1.366 19431 5094 1 13 . 1 1 19 19 GLN HA H 19 3.767 3.767 4.018 -0.251 19431 5095 1 13 . 1 1 19 19 GLN CA C 19 54.492 54.492 58.870 -4.378 19431 5096 1 13 . 1 1 19 19 GLN CB C 19 26.490 26.490 28.407 -1.917 19431 5097 1 13 . 1 1 20 20 ALA N N 20 122.405 122.405 119.750 2.655 19431 5098 1 13 . 1 1 20 20 ALA HA H 20 4.404 4.404 4.368 0.036 19431 5099 1 13 . 1 1 20 20 ALA CA C 20 52.036 52.036 54.063 -2.027 19431 5100 1 13 . 1 1 20 20 ALA CB C 20 16.407 16.407 18.308 -1.901 19431 5101 1 13 . 1 1 21 21 MET N N 21 115.042 115.042 118.383 -3.341 19431 5102 1 13 . 1 1 21 21 MET HA H 21 3.354 3.354 3.732 -0.378 19431 5103 1 13 . 1 1 21 21 MET CA C 21 56.861 56.861 59.200 -2.339 19431 5104 1 13 . 1 1 21 21 MET CB C 21 30.538 30.538 32.294 -1.756 19431 5105 1 13 . 1 1 22 22 GLU N N 22 118.882 118.882 120.044 -1.162 19431 5106 1 13 . 1 1 22 22 GLU HA H 22 3.923 3.923 4.252 -0.329 19431 5107 1 13 . 1 1 22 22 GLU CA C 22 56.675 56.675 58.997 -2.322 19431 5108 1 13 . 1 1 22 22 GLU CB C 22 26.613 26.613 29.396 -2.783 19431 5109 1 13 . 1 1 23 23 ASP N N 23 122.549 122.549 119.070 3.479 19431 5110 1 13 . 1 1 23 23 ASP HA H 23 4.658 4.658 4.544 0.114 19431 5111 1 13 . 1 1 23 23 ASP CA C 23 55.053 55.053 57.594 -2.541 19431 5112 1 13 . 1 1 23 23 ASP CB C 23 37.479 37.479 40.447 -2.968 19431 5113 1 13 . 1 1 24 24 ILE N N 24 123.580 123.580 119.543 4.037 19431 5114 1 13 . 1 1 24 24 ILE HA H 24 3.678 3.678 3.514 0.164 19431 5115 1 13 . 1 1 24 24 ILE CA C 24 63.201 63.201 64.337 -1.136 19431 5116 1 13 . 1 1 24 24 ILE CB C 24 35.138 35.138 37.932 -2.794 19431 5117 1 13 . 1 1 25 25 GLU N N 25 120.591 120.591 120.200 0.391 19431 5118 1 13 . 1 1 25 25 GLU HA H 25 3.885 3.885 3.806 0.079 19431 5119 1 13 . 1 1 25 25 GLU CA C 25 57.824 57.824 59.593 -1.769 19431 5120 1 13 . 1 1 25 25 GLU CB C 25 25.883 25.883 29.634 -3.751 19431 5121 1 13 . 1 1 26 26 ILE N N 26 121.350 121.350 117.423 3.927 19431 5122 1 13 . 1 1 26 26 ILE HA H 26 3.718 3.718 3.901 -0.183 19431 5123 1 13 . 1 1 26 26 ILE CA C 26 62.881 62.881 63.612 -0.731 19431 5124 1 13 . 1 1 26 26 ILE CB C 26 35.324 35.324 37.963 -2.639 19431 5125 1 13 . 1 1 27 27 ALA N N 27 120.204 120.204 121.399 -1.195 19431 5126 1 13 . 1 1 28 28 GLN N N 28 114.627 114.627 117.930 -3.303 19431 5127 1 13 . 1 1 28 28 GLN CB C 28 26.380 26.380 29.125 -2.745 19431 5128 1 13 . 1 1 29 29 SER N N 29 115.031 115.031 111.963 3.068 19431 5129 1 13 . 1 1 29 29 SER HA H 29 4.260 4.260 4.391 -0.131 19431 5130 1 13 . 1 1 29 29 SER CA C 29 57.768 57.768 58.231 -0.463 19431 5131 1 13 . 1 1 29 29 SER CB C 29 61.367 61.367 62.888 -1.521 19431 5132 1 13 . 1 1 30 30 LYS N N 30 112.834 112.834 118.599 -5.765 19431 5133 1 13 . 1 1 30 30 LYS HA H 30 4.228 4.228 3.780 0.448 19431 5134 1 13 . 1 1 30 30 LYS CA C 30 56.103 56.103 57.062 -0.959 19431 5135 1 13 . 1 1 30 30 LYS CB C 30 26.478 26.478 29.829 -3.351 19431 5136 1 13 . 1 1 31 31 ASP N N 31 121.067 121.067 118.622 2.445 19431 5137 1 13 . 1 1 31 31 ASP HA H 31 4.877 4.877 4.295 0.582 19431 5138 1 13 . 1 1 31 31 ASP CA C 31 49.742 49.742 53.681 -3.939 19431 5139 1 13 . 1 1 31 31 ASP CB C 31 38.652 38.652 41.519 -2.867 19431 5140 1 13 . 1 1 32 32 TYR N N 32 126.671 126.671 122.432 4.239 19431 5141 1 13 . 1 1 32 32 TYR HA H 32 3.311 3.311 4.470 -1.159 19431 5142 1 13 . 1 1 32 32 TYR CA C 32 57.951 57.951 60.166 -2.216 19431 5143 1 13 . 1 1 32 32 TYR CB C 32 36.158 36.158 39.209 -3.051 19431 5144 1 13 . 1 1 33 33 GLU N N 33 115.884 115.884 118.248 -2.364 19431 5145 1 13 . 1 1 33 33 GLU HA H 33 3.442 3.442 4.296 -0.854 19431 5146 1 13 . 1 1 33 33 GLU CA C 33 56.757 56.757 58.523 -1.766 19431 5147 1 13 . 1 1 33 33 GLU CB C 33 26.095 26.095 28.719 -2.624 19431 5148 1 13 . 1 1 34 34 SER N N 34 116.060 116.060 115.960 0.100 19431 5149 1 13 . 1 1 34 34 SER HA H 34 4.026 4.026 4.327 -0.301 19431 5150 1 13 . 1 1 34 34 SER CA C 34 58.953 58.953 61.225 -2.272 19431 5151 1 13 . 1 1 34 34 SER CB C 34 59.683 59.683 62.766 -3.083 19431 5152 1 13 . 1 1 35 35 TRP N N 35 123.977 123.977 123.398 0.579 19431 5153 1 13 . 1 1 35 35 TRP CA C 35 57.894 57.894 59.133 -1.239 19431 5154 1 13 . 1 1 35 35 TRP CB C 35 25.531 25.531 29.186 -3.655 19431 5155 1 13 . 1 1 36 36 LYS N N 36 117.633 117.633 120.290 -2.657 19431 5156 1 13 . 1 1 36 36 LYS HA H 36 3.128 3.128 3.944 -0.816 19431 5157 1 13 . 1 1 36 36 LYS CA C 36 55.998 55.998 59.966 -3.968 19431 5158 1 13 . 1 1 36 36 LYS CB C 36 29.304 29.304 32.137 -2.833 19431 5159 1 13 . 1 1 37 37 SER N N 37 109.835 109.835 112.507 -2.672 19431 5160 1 13 . 1 1 37 37 SER HA H 37 3.989 3.989 4.288 -0.299 19431 5161 1 13 . 1 1 37 37 SER CA C 37 57.765 57.765 59.883 -2.118 19431 5162 1 13 . 1 1 37 37 SER CB C 37 60.606 60.606 62.945 -2.339 19431 5163 1 13 . 1 1 38 38 ARG N N 38 119.946 119.946 119.128 0.818 19431 5164 1 13 . 1 1 38 38 ARG HA H 38 4.144 4.144 4.107 0.037 19431 5165 1 13 . 1 1 38 38 ARG CA C 38 51.208 51.208 55.607 -4.399 19431 5166 1 13 . 1 1 38 38 ARG CB C 38 25.717 25.717 29.834 -4.117 19431 5167 1 13 . 1 1 39 39 PHE N N 39 117.529 117.529 117.780 -0.251 19431 5168 1 13 . 1 1 39 39 PHE HA H 39 4.855 4.855 4.936 -0.081 19431 5169 1 13 . 1 1 39 39 PHE CA C 39 54.234 54.234 58.223 -3.989 19431 5170 1 13 . 1 1 39 39 PHE CB C 39 37.547 37.547 40.103 -2.556 19431 5171 1 13 . 1 1 40 40 THR N N 40 113.296 113.296 113.571 -0.275 19431 5172 1 13 . 1 1 40 40 THR HA H 40 3.991 3.991 4.224 -0.233 19431 5173 1 13 . 1 1 40 40 THR CA C 40 59.704 59.704 61.547 -1.843 19431 5174 1 13 . 1 1 40 40 THR CB C 40 66.175 66.175 70.262 -4.087 19431 5175 1 13 . 1 1 41 41 LYS N N 41 124.924 124.924 121.412 3.512 19431 5176 1 13 . 1 1 41 41 LYS HA H 41 3.713 3.713 3.951 -0.238 19431 5177 1 13 . 1 1 41 41 LYS CA C 41 57.650 57.650 60.176 -2.526 19431 5178 1 13 . 1 1 41 41 LYS CB C 41 29.363 29.363 31.980 -2.617 19431 5179 1 13 . 1 1 42 42 ASP N N 42 116.255 116.255 118.553 -2.298 19431 5180 1 13 . 1 1 42 42 ASP HA H 42 4.343 4.343 4.470 -0.127 19431 5181 1 13 . 1 1 42 42 ASP CA C 42 53.841 53.841 57.025 -3.184 19431 5182 1 13 . 1 1 42 42 ASP CB C 42 37.703 37.703 40.691 -2.988 19431 5183 1 13 . 1 1 43 43 LEU N N 43 119.134 119.134 119.830 -0.696 19431 5184 1 13 . 1 1 43 43 LEU HA H 43 4.320 4.320 4.015 0.305 19431 5185 1 13 . 1 1 43 43 LEU CA C 43 52.423 52.423 56.898 -4.476 19431 5186 1 13 . 1 1 43 43 LEU CB C 43 40.023 40.023 41.859 -1.836 19431 5187 1 13 . 1 1 44 44 GLN N N 44 119.455 119.455 116.740 2.715 19431 5188 1 13 . 1 1 44 44 GLN HA H 44 3.466 3.466 4.034 -0.568 19431 5189 1 13 . 1 1 44 44 GLN CA C 44 57.437 57.437 58.318 -0.881 19431 5190 1 13 . 1 1 44 44 GLN CB C 44 25.394 25.394 28.714 -3.320 19431 5191 1 13 . 1 1 45 45 SER N N 45 110.605 110.605 112.454 -1.849 19431 5192 1 13 . 1 1 45 45 SER HA H 45 4.211 4.211 4.520 -0.309 19431 5193 1 13 . 1 1 45 45 SER CA C 45 57.621 57.621 59.485 -1.864 19431 5194 1 13 . 1 1 45 45 SER CB C 45 60.094 60.094 63.702 -3.608 19431 5195 1 13 . 1 1 46 46 SER N N 46 115.075 115.075 116.166 -1.091 19431 5196 1 13 . 1 1 46 46 SER HA H 46 4.473 4.473 4.420 0.053 19431 5197 1 13 . 1 1 46 46 SER CA C 46 55.739 55.739 58.741 -3.002 19431 5198 1 13 . 1 1 46 46 SER CB C 46 61.628 61.628 63.607 -1.979 19431 5199 1 13 . 1 1 47 47 LEU N N 47 124.984 124.984 122.995 1.989 19431 5200 1 13 . 1 1 47 47 LEU HA H 47 4.334 4.334 4.095 0.239 19431 5201 1 13 . 1 1 47 47 LEU CA C 47 52.040 52.040 55.628 -3.588 19431 5202 1 13 . 1 1 47 47 LEU CB C 47 39.810 39.810 42.136 -2.326 19431 5203 1 13 . 1 1 48 48 THR N N 48 111.152 111.152 114.626 -3.474 19431 5204 1 13 . 1 1 48 48 THR HA H 48 4.665 4.665 4.637 0.028 19431 5205 1 13 . 1 1 48 48 THR CA C 48 56.718 56.718 60.088 -3.370 19431 5206 1 13 . 1 1 48 48 THR CB C 48 69.103 69.103 71.781 -2.678 19431 5207 1 13 . 1 1 49 49 GLU N N 49 124.552 124.552 122.721 1.831 19431 5208 1 13 . 1 1 49 49 GLU HA H 49 3.194 3.194 4.303 -1.109 19431 5209 1 13 . 1 1 49 49 GLU CA C 49 56.770 56.770 59.827 -3.057 19431 5210 1 13 . 1 1 49 49 GLU CB C 49 26.148 26.148 29.273 -3.124 19431 5211 1 13 . 1 1 50 50 GLU N N 50 118.615 118.615 119.283 -0.668 19431 5212 1 13 . 1 1 50 50 GLU HA H 50 4.000 4.000 3.912 0.088 19431 5213 1 13 . 1 1 50 50 GLU CA C 50 57.357 57.357 59.522 -2.165 19431 5214 1 13 . 1 1 50 50 GLU CB C 50 26.511 26.511 29.294 -2.783 19431 5215 1 13 . 1 1 51 51 SER N N 51 116.380 116.380 115.451 0.929 19431 5216 1 13 . 1 1 51 51 SER HA H 51 4.256 4.256 4.331 -0.075 19431 5217 1 13 . 1 1 51 51 SER CA C 51 58.825 58.825 61.390 -2.565 19431 5218 1 13 . 1 1 51 51 SER CB C 51 59.884 59.884 63.119 -3.235 19431 5219 1 13 . 1 1 52 52 TYR N N 52 125.611 125.611 119.748 5.863 19431 5220 1 13 . 1 1 52 52 TYR CB C 52 36.647 36.647 39.437 -2.790 19431 5221 1 13 . 1 1 53 53 ASP N N 53 119.653 119.653 120.691 -1.038 19431 5222 1 13 . 1 1 53 53 ASP HA H 53 4.115 4.115 3.781 0.334 19431 5223 1 13 . 1 1 53 53 ASP CA C 53 54.553 54.553 57.341 -2.788 19431 5224 1 13 . 1 1 53 53 ASP CB C 53 37.477 37.477 40.656 -3.179 19431 5225 1 13 . 1 1 54 54 SER N N 54 114.883 114.883 115.865 -0.982 19431 5226 1 13 . 1 1 54 54 SER HA H 54 3.946 3.946 4.115 -0.169 19431 5227 1 13 . 1 1 54 54 SER CA C 54 59.741 59.741 61.152 -1.411 19431 5228 1 13 . 1 1 54 54 SER CB C 54 59.750 59.750 63.403 -3.653 19431 5229 1 13 . 1 1 55 55 TYR N N 55 123.933 123.933 123.107 0.826 19431 5230 1 13 . 1 1 55 55 TYR HA H 55 4.361 4.361 4.247 0.114 19431 5231 1 13 . 1 1 55 55 TYR CA C 55 57.213 57.213 60.936 -3.723 19431 5232 1 13 . 1 1 55 55 TYR CB C 55 34.024 34.024 38.184 -4.160 19431 5233 1 13 . 1 1 56 56 LEU N N 56 119.758 119.758 117.565 2.193 19431 5234 1 13 . 1 1 56 56 LEU HA H 56 3.252 3.252 3.574 -0.322 19431 5235 1 13 . 1 1 56 56 LEU CA C 56 54.681 54.681 57.060 -2.379 19431 5236 1 13 . 1 1 56 56 LEU CB C 56 38.151 38.151 41.139 -2.988 19431 5237 1 13 . 1 1 57 57 LYS N N 57 118.487 118.487 118.658 -0.171 19431 5238 1 13 . 1 1 57 57 LYS HA H 57 3.852 3.852 4.003 -0.151 19431 5239 1 13 . 1 1 57 57 LYS CA C 57 56.090 56.090 58.766 -2.676 19431 5240 1 13 . 1 1 57 57 LYS CB C 57 29.683 29.683 31.814 -2.131 19431 5241 1 13 . 1 1 58 58 ILE N N 58 120.887 120.887 118.149 2.738 19431 5242 1 13 . 1 1 58 58 ILE HA H 58 3.591 3.591 3.816 -0.225 19431 5243 1 13 . 1 1 58 58 ILE CA C 58 61.366 61.366 63.790 -2.424 19431 5244 1 13 . 1 1 58 58 ILE CB C 58 35.144 35.144 37.760 -2.616 19431 5245 1 13 . 1 1 59 59 LEU N N 59 122.273 122.273 121.290 0.983 19431 5246 1 13 . 1 1 59 59 LEU HA H 59 3.437 3.437 3.617 -0.180 19431 5247 1 13 . 1 1 59 59 LEU CA C 59 54.847 54.847 58.188 -3.341 19431 5248 1 13 . 1 1 59 59 LEU CB C 59 39.071 39.071 41.276 -2.204 19431 5249 1 13 . 1 1 60 60 GLU N N 60 118.591 118.591 116.842 1.749 19431 5250 1 13 . 1 1 60 60 GLU HA H 60 3.810 3.810 3.949 -0.139 19431 5251 1 13 . 1 1 60 60 GLU CA C 60 56.156 56.156 58.912 -2.756 19431 5252 1 13 . 1 1 60 60 GLU CB C 60 26.820 26.820 29.699 -2.879 19431 5253 1 13 . 1 1 61 61 LYS N N 61 115.698 115.698 113.978 1.720 19431 5254 1 13 . 1 1 61 61 LYS HA H 61 4.029 4.029 4.406 -0.377 19431 5255 1 13 . 1 1 61 61 LYS CA C 61 54.164 54.164 56.468 -2.304 19431 5256 1 13 . 1 1 61 61 LYS CB C 61 29.581 29.581 32.381 -2.800 19431 5257 1 13 . 1 1 62 62 GLN N N 62 114.863 114.863 118.552 -3.689 19431 5258 1 13 . 1 1 62 62 GLN HA H 62 3.851 3.851 4.308 -0.457 19431 5259 1 13 . 1 1 62 62 GLN CA C 62 52.258 52.258 55.068 -2.810 19431 5260 1 13 . 1 1 62 62 GLN CB C 62 25.186 25.186 29.251 -4.065 19431 5261 1 13 . 1 1 63 63 GLY N N 63 101.724 101.724 108.762 -7.038 19431 5262 1 13 . 1 1 63 63 GLY CA C 63 41.815 41.815 45.115 -3.300 19431 5263 1 13 . 1 1 64 64 GLU N N 64 118.731 118.731 122.066 -3.335 19431 5264 1 13 . 1 1 64 64 GLU HA H 64 4.137 4.137 4.782 -0.645 19431 5265 1 13 . 1 1 64 64 GLU CA C 64 54.598 54.598 53.768 0.830 19431 5266 1 13 . 1 1 64 64 GLU CB C 64 28.312 28.312 32.526 -4.213 19431 5267 1 13 . 1 1 65 65 PHE N N 65 123.366 123.366 124.899 -1.533 19431 5268 1 13 . 1 1 65 65 PHE HA H 65 3.825 3.825 3.675 0.150 19431 5269 1 13 . 1 1 65 65 PHE CA C 65 57.419 57.419 58.492 -1.073 19431 5270 1 13 . 1 1 65 65 PHE CB C 65 36.666 36.666 38.762 -2.096 19431 5271 1 13 . 1 1 66 66 LYS N N 66 125.336 125.336 125.315 0.021 19431 5272 1 13 . 1 1 66 66 LYS HA H 66 4.168 4.168 3.979 0.189 19431 5273 1 13 . 1 1 66 66 LYS CA C 66 53.226 53.226 55.596 -2.370 19431 5274 1 13 . 1 1 66 66 LYS CB C 66 30.293 30.293 33.892 -3.599 19431 5275 1 13 . 1 1 67 67 GLU N N 67 112.076 112.076 118.135 -6.059 19431 5276 1 13 . 1 1 67 67 GLU HA H 67 4.069 4.069 4.105 -0.036 19431 5277 1 13 . 1 1 67 67 GLU CA C 67 52.907 52.907 55.482 -2.575 19431 5278 1 13 . 1 1 67 67 GLU CB C 67 29.378 29.378 32.289 -2.911 19431 5279 1 13 . 1 1 68 68 PHE N N 68 118.706 118.706 121.064 -2.358 19431 5280 1 13 . 1 1 68 68 PHE CB C 68 38.408 38.408 40.745 -2.337 19431 5281 1 13 . 1 1 69 69 GLY N N 69 112.889 112.889 110.979 1.910 19431 5282 1 13 . 1 1 69 69 GLY CA C 69 41.353 41.353 44.425 -3.072 19431 5283 1 13 . 1 1 70 70 LYS N N 70 122.409 122.409 119.893 2.516 19431 5284 1 13 . 1 1 70 70 LYS HA H 70 4.085 4.085 4.349 -0.264 19431 5285 1 13 . 1 1 70 70 LYS CA C 70 54.418 54.418 56.558 -2.140 19431 5286 1 13 . 1 1 70 70 LYS CB C 70 31.197 31.197 33.532 -2.335 19431 5287 1 13 . 1 1 71 71 CYS N N 71 118.509 118.509 124.803 -6.294 19431 5288 1 13 . 1 1 71 71 CYS HA H 71 5.332 5.332 5.248 0.084 19431 5289 1 13 . 1 1 71 71 CYS CA C 71 54.655 54.655 55.913 -1.258 19431 5290 1 13 . 1 1 71 71 CYS CB C 71 28.223 28.223 26.913 1.310 19431 5291 1 13 . 1 1 72 72 THR N N 72 120.129 120.129 121.418 -1.289 19431 5292 1 13 . 1 1 72 72 THR HA H 72 4.272 4.272 4.263 0.009 19431 5293 1 13 . 1 1 72 72 THR CA C 72 58.652 58.652 62.593 -3.941 19431 5294 1 13 . 1 1 72 72 THR CB C 72 68.199 68.199 69.530 -1.331 19431 5295 1 13 . 1 1 73 73 TYR N N 73 122.772 122.772 124.027 -1.255 19431 5296 1 13 . 1 1 73 73 TYR HA H 73 5.034 5.034 5.244 -0.210 19431 5297 1 13 . 1 1 73 73 TYR CA C 73 55.497 55.497 56.778 -1.281 19431 5298 1 13 . 1 1 73 73 TYR CB C 73 38.271 38.271 40.989 -2.718 19431 5299 1 13 . 1 1 74 74 LEU N N 74 117.980 117.980 118.545 -0.565 19431 5300 1 13 . 1 1 74 74 LEU HA H 74 4.466 4.466 5.324 -0.858 19431 5301 1 13 . 1 1 74 74 LEU CA C 74 51.805 51.805 53.029 -1.224 19431 5302 1 13 . 1 1 74 74 LEU CB C 74 42.030 42.030 45.908 -3.878 19431 5303 1 13 . 1 1 75 75 GLY N N 75 105.257 105.257 105.095 0.162 19431 5304 1 13 . 1 1 75 75 GLY CA C 75 42.799 42.799 43.923 -1.124 19431 5305 1 13 . 1 1 76 76 GLN N N 76 119.071 119.071 116.318 2.753 19431 5306 1 13 . 1 1 76 76 GLN HA H 76 4.938 4.938 5.462 -0.524 19431 5307 1 13 . 1 1 76 76 GLN CA C 76 52.495 52.495 54.799 -2.304 19431 5308 1 13 . 1 1 76 76 GLN CB C 76 30.498 30.498 33.188 -2.690 19431 5309 1 13 . 1 1 77 77 ILE N N 77 123.550 123.550 121.106 2.444 19431 5310 1 13 . 1 1 77 77 ILE HA H 77 4.992 4.992 5.252 -0.260 19431 5311 1 13 . 1 1 77 77 ILE CA C 77 57.239 57.239 60.550 -3.311 19431 5312 1 13 . 1 1 77 77 ILE CB C 77 36.664 36.664 41.285 -4.622 19431 5313 1 13 . 1 1 78 78 LYS N N 78 127.532 127.532 126.761 0.771 19431 5314 1 13 . 1 1 78 78 LYS HA H 78 4.585 4.585 4.589 -0.004 19431 5315 1 13 . 1 1 78 78 LYS CA C 78 52.768 52.768 55.952 -3.184 19431 5316 1 13 . 1 1 78 78 LYS CB C 78 32.536 32.536 33.141 -0.605 19431 5317 1 13 . 1 1 79 79 ASP N N 79 128.019 128.019 119.742 8.277 19431 5318 1 13 . 1 1 79 79 ASP HA H 79 4.168 4.168 4.419 -0.251 19431 5319 1 13 . 1 1 79 79 ASP CA C 79 53.258 53.258 57.056 -3.798 19431 5320 1 13 . 1 1 79 79 ASP CB C 79 36.826 36.826 40.920 -4.094 19431 5321 1 13 . 1 1 80 80 ASN N N 80 110.608 110.608 111.042 -0.434 19431 5322 1 13 . 1 1 80 80 ASN HA H 80 4.168 4.168 4.669 -0.501 19431 5323 1 13 . 1 1 80 80 ASN CA C 80 51.912 51.912 52.971 -1.059 19431 5324 1 13 . 1 1 80 80 ASN CB C 80 35.506 35.506 40.110 -4.604 19431 5325 1 13 . 1 1 81 81 LYS N N 81 121.116 121.116 120.790 0.326 19431 5326 1 13 . 1 1 81 81 LYS HA H 81 4.482 4.482 4.429 0.053 19431 5327 1 13 . 1 1 81 81 LYS CA C 81 52.353 52.353 54.563 -2.210 19431 5328 1 13 . 1 1 81 81 LYS CB C 81 32.119 32.119 34.728 -2.609 19431 5329 1 13 . 1 1 82 82 LYS N N 82 119.259 119.259 124.640 -5.381 19431 5330 1 13 . 1 1 82 82 LYS HA H 82 4.765 4.765 4.832 -0.067 19431 5331 1 13 . 1 1 82 82 LYS CA C 82 52.722 52.722 55.362 -2.640 19431 5332 1 13 . 1 1 82 82 LYS CB C 82 32.934 32.934 34.894 -1.960 19431 5333 1 13 . 1 1 83 83 TYR N N 83 118.176 118.176 122.586 -4.410 19431 5334 1 13 . 1 1 83 83 TYR HA H 83 5.275 5.275 5.099 0.176 19431 5335 1 13 . 1 1 83 83 TYR CA C 83 53.383 53.383 56.617 -3.233 19431 5336 1 13 . 1 1 83 83 TYR CB C 83 38.026 38.026 43.383 -5.357 19431 5337 1 13 . 1 1 84 84 GLY N N 84 111.686 111.686 107.688 3.998 19431 5338 1 13 . 1 1 84 84 GLY CA C 84 41.219 41.219 42.955 -1.736 19431 5339 1 13 . 1 1 85 85 GLY N N 85 111.232 111.232 109.791 1.441 19431 5340 1 13 . 1 1 85 85 GLY CA C 85 42.272 42.272 42.794 -0.522 19431 5341 1 13 . 1 1 86 86 VAL N N 86 115.256 115.256 122.384 -7.128 19431 5342 1 13 . 1 1 86 86 VAL HA H 86 5.127 5.127 5.103 0.024 19431 5343 1 13 . 1 1 86 86 VAL CA C 86 55.741 55.741 59.422 -3.681 19431 5344 1 13 . 1 1 86 86 VAL CB C 86 33.129 33.129 34.818 -1.689 19431 5345 1 13 . 1 1 87 87 ILE N N 87 125.124 125.124 129.936 -4.812 19431 5346 1 13 . 1 1 87 87 ILE HA H 87 5.206 5.206 4.623 0.583 19431 5347 1 13 . 1 1 87 87 ILE CA C 87 57.168 57.168 60.290 -3.122 19431 5348 1 13 . 1 1 87 87 ILE CB C 87 36.590 36.590 38.032 -1.442 19431 5349 1 13 . 1 1 88 88 ILE N N 88 128.056 128.056 128.888 -0.832 19431 5350 1 13 . 1 1 88 88 ILE HA H 88 5.146 5.146 4.456 0.690 19431 5351 1 13 . 1 1 88 88 ILE CA C 88 55.356 55.356 59.773 -4.417 19431 5352 1 13 . 1 1 88 88 ILE CB C 88 39.847 39.847 39.219 0.628 19431 5353 1 13 . 1 1 89 89 VAL N N 89 128.326 128.326 130.441 -2.115 19431 5354 1 13 . 1 1 89 89 VAL HA H 89 4.387 4.387 4.019 0.368 19431 5355 1 13 . 1 1 89 89 VAL CA C 89 59.839 59.839 64.537 -4.698 19431 5356 1 13 . 1 1 89 89 VAL CB C 89 30.295 30.295 32.323 -2.028 19431 5357 1 13 . 1 1 90 90 VAL N N 90 128.738 128.738 128.103 0.635 19431 5358 1 13 . 1 1 90 90 VAL HA H 90 4.207 4.207 4.769 -0.562 19431 5359 1 13 . 1 1 90 90 VAL CA C 90 59.722 59.722 61.068 -1.346 19431 5360 1 13 . 1 1 90 90 VAL CB C 90 31.537 31.537 34.403 -2.866 19431 5361 1 13 . 1 1 91 91 LYS N N 91 126.004 126.004 127.318 -1.314 19431 5362 1 13 . 1 1 91 91 LYS HA H 91 4.629 4.629 4.662 -0.033 19431 5363 1 13 . 1 1 91 91 LYS CA C 91 52.972 52.972 55.240 -2.268 19431 5364 1 13 . 1 1 91 91 LYS CB C 91 30.789 30.789 31.592 -0.803 19431 5365 1 13 . 1 1 92 92 TYR N N 92 123.932 123.932 124.374 -0.442 19431 5366 1 13 . 1 1 92 92 TYR HA H 92 4.940 4.940 4.494 0.446 19431 5367 1 13 . 1 1 92 92 TYR CA C 92 53.905 53.905 59.833 -5.928 19431 5368 1 13 . 1 1 92 92 TYR CB C 92 39.331 39.331 39.461 -0.130 19431 5369 1 13 . 1 1 93 93 GLU N N 93 122.195 122.195 119.628 2.567 19431 5370 1 13 . 1 1 93 93 GLU HA H 93 3.834 3.834 4.091 -0.257 19431 5371 1 13 . 1 1 93 93 GLU CA C 93 57.465 57.465 58.748 -1.283 19431 5372 1 13 . 1 1 93 93 GLU CB C 93 28.695 28.695 30.227 -1.532 19431 5373 1 13 . 1 1 94 94 GLU N N 94 110.219 110.219 115.348 -5.129 19431 5374 1 13 . 1 1 94 94 GLU HA H 94 4.440 4.440 4.536 -0.096 19431 5375 1 13 . 1 1 94 94 GLU CA C 94 52.555 52.555 56.119 -3.564 19431 5376 1 13 . 1 1 94 94 GLU CB C 94 26.861 26.861 32.074 -5.213 19431 5377 1 13 . 1 1 95 95 GLY N N 95 106.566 106.566 107.578 -1.012 19431 5378 1 13 . 1 1 95 95 GLY CA C 95 42.542 42.542 45.176 -2.634 19431 5379 1 13 . 1 1 96 96 ASN N N 96 116.707 116.707 119.483 -2.776 19431 5380 1 13 . 1 1 96 96 ASN HA H 96 5.720 5.720 5.890 -0.170 19431 5381 1 13 . 1 1 96 96 ASN CA C 96 49.003 49.003 52.785 -3.783 19431 5382 1 13 . 1 1 96 96 ASN CB C 96 37.602 37.602 39.957 -2.355 19431 5383 1 13 . 1 1 97 97 VAL N N 97 122.002 122.002 125.937 -3.935 19431 5384 1 13 . 1 1 97 97 VAL HA H 97 4.117 4.117 4.077 0.040 19431 5385 1 13 . 1 1 97 97 VAL CA C 97 58.404 58.404 61.188 -2.784 19431 5386 1 13 . 1 1 97 97 VAL CB C 97 33.456 33.456 32.128 1.328 19431 5387 1 13 . 1 1 98 98 ASN N N 98 124.376 124.376 126.507 -2.131 19431 5388 1 13 . 1 1 98 98 ASN HA H 98 5.135 5.135 4.876 0.259 19431 5389 1 13 . 1 1 98 98 ASN CA C 98 48.630 48.630 52.819 -4.189 19431 5390 1 13 . 1 1 98 98 ASN CB C 98 36.031 36.031 37.695 -1.664 19431 5391 1 13 . 1 1 99 99 TYR N N 99 123.932 123.932 125.723 -1.791 19431 5392 1 13 . 1 1 99 99 TYR HA H 99 4.640 4.640 4.549 0.091 19431 5393 1 13 . 1 1 99 99 TYR CA C 99 55.468 55.468 59.052 -3.584 19431 5394 1 13 . 1 1 99 99 TYR CB C 99 38.122 38.122 38.268 -0.146 19431 5395 1 13 . 1 1 100 100 SER N N 100 115.327 115.327 120.082 -4.755 19431 5396 1 13 . 1 1 100 100 SER HA H 100 5.242 5.242 5.139 0.103 19431 5397 1 13 . 1 1 100 100 SER CA C 100 53.767 53.767 56.976 -3.209 19431 5398 1 13 . 1 1 100 100 SER CB C 100 60.649 60.649 62.940 -2.291 19431 5399 1 13 . 1 1 101 101 LEU N N 101 130.521 130.521 128.888 1.633 19431 5400 1 13 . 1 1 101 101 LEU HA H 101 4.978 4.978 4.907 0.071 19431 5401 1 13 . 1 1 101 101 LEU CA C 101 51.756 51.756 54.051 -2.295 19431 5402 1 13 . 1 1 101 101 LEU CB C 101 42.765 42.765 42.369 0.396 19431 5403 1 13 . 1 1 102 102 ALA N N 102 121.373 121.373 127.259 -5.886 19431 5404 1 13 . 1 1 102 102 ALA HA H 102 4.994 4.994 5.008 -0.014 19431 5405 1 13 . 1 1 102 102 ALA CA C 102 48.505 48.505 49.902 -1.397 19431 5406 1 13 . 1 1 102 102 ALA CB C 102 19.355 19.355 21.774 -2.419 19431 5407 1 13 . 1 1 103 103 TYR N N 103 120.633 120.633 119.749 0.884 19431 5408 1 13 . 1 1 103 103 TYR HA H 103 5.311 5.311 5.383 -0.072 19431 5409 1 13 . 1 1 103 103 TYR CA C 103 55.519 55.519 54.599 0.920 19431 5410 1 13 . 1 1 103 103 TYR CB C 103 42.037 42.037 40.398 1.639 19431 5411 1 13 . 1 1 104 104 ASP N N 104 118.129 118.129 119.562 -1.433 19431 5412 1 13 . 1 1 104 104 ASP HA H 104 5.163 5.163 5.053 0.110 19431 5413 1 13 . 1 1 104 104 ASP CA C 104 49.372 49.372 52.181 -2.809 19431 5414 1 13 . 1 1 104 104 ASP CB C 104 39.054 39.054 43.716 -4.662 19431 5415 1 13 . 1 1 105 105 GLU N N 105 115.031 115.031 119.248 -4.217 19431 5416 1 13 . 1 1 105 105 GLU HA H 105 3.624 3.624 4.227 -0.603 19431 5417 1 13 . 1 1 105 105 GLU CA C 105 55.976 55.976 59.326 -3.350 19431 5418 1 13 . 1 1 105 105 GLU CB C 105 27.111 27.111 29.741 -2.630 19431 5419 1 13 . 1 1 106 106 ASP N N 106 119.038 119.038 117.456 1.582 19431 5420 1 13 . 1 1 107 107 MET N N 107 111.995 111.995 116.483 -4.488 19431 5421 1 13 . 1 1 107 107 MET HA H 107 4.343 4.343 3.987 0.356 19431 5422 1 13 . 1 1 107 107 MET CA C 107 51.671 51.671 55.759 -4.088 19431 5423 1 13 . 1 1 107 107 MET CB C 107 21.629 21.629 31.119 -9.490 19431 5424 1 13 . 1 1 108 108 ASN N N 108 117.079 117.079 116.464 0.615 19431 5425 1 13 . 1 1 108 108 ASN HA H 108 5.111 5.111 5.124 -0.013 19431 5426 1 13 . 1 1 108 108 ASN CA C 108 49.519 49.519 51.966 -2.447 19431 5427 1 13 . 1 1 108 108 ASN CB C 108 37.221 37.221 40.566 -3.345 19431 5428 1 13 . 1 1 109 109 LEU N N 109 122.211 122.211 123.682 -1.471 19431 5429 1 13 . 1 1 109 109 LEU HA H 109 4.020 4.020 4.137 -0.117 19431 5430 1 13 . 1 1 109 109 LEU CA C 109 52.898 52.898 56.700 -3.802 19431 5431 1 13 . 1 1 109 109 LEU CB C 109 40.774 40.774 41.955 -1.181 19431 5432 1 13 . 1 1 110 110 VAL N N 110 109.806 109.806 125.306 -15.500 19431 5433 1 13 . 1 1 110 110 VAL HA H 110 4.551 4.551 4.309 0.242 19431 5434 1 13 . 1 1 110 110 VAL CA C 110 57.276 57.276 62.481 -5.205 19431 5435 1 13 . 1 1 110 110 VAL CB C 110 30.242 30.242 33.738 -3.496 19431 5436 1 13 . 1 1 111 111 SER N N 111 113.487 113.487 115.246 -1.759 19431 5437 1 13 . 1 1 111 111 SER HA H 111 4.476 4.476 4.731 -0.255 19431 5438 1 13 . 1 1 111 111 SER CA C 111 55.637 55.637 58.277 -2.640 19431 5439 1 13 . 1 1 111 111 SER CB C 111 61.288 61.288 64.567 -3.279 19431 5440 1 13 . 1 1 112 112 PHE N N 112 126.988 126.988 126.996 -0.008 19431 5441 1 13 . 1 1 112 112 PHE HA H 112 4.991 4.991 5.892 -0.901 19431 5442 1 13 . 1 1 112 112 PHE CA C 112 55.305 55.305 56.327 -1.022 19431 5443 1 13 . 1 1 112 112 PHE CB C 112 40.128 40.128 42.807 -2.679 19431 5444 1 13 . 1 1 113 113 THR N N 113 120.333 120.333 120.100 0.233 19431 5445 1 13 . 1 1 113 113 THR HA H 113 4.775 4.775 4.336 0.439 19431 5446 1 13 . 1 1 113 113 THR CA C 113 57.888 57.888 60.444 -2.556 19431 5447 1 13 . 1 1 113 113 THR CB C 113 69.193 69.193 71.152 -1.959 19431 5448 1 14 . 1 1 2 2 GLU HA H 2 4.446 4.446 4.504 -0.058 19431 5449 1 14 . 1 1 2 2 GLU CA C 2 53.359 53.359 55.894 -2.535 19431 5450 1 14 . 1 1 2 2 GLU CB C 2 29.108 29.108 32.605 -3.497 19431 5451 1 14 . 1 1 3 3 ILE N N 3 123.144 123.144 124.492 -1.348 19431 5452 1 14 . 1 1 3 3 ILE HA H 3 4.358 4.358 4.460 -0.102 19431 5453 1 14 . 1 1 3 3 ILE CA C 3 57.727 57.727 59.148 -1.421 19431 5454 1 14 . 1 1 3 3 ILE CB C 3 35.665 35.665 37.665 -2.000 19431 5455 1 14 . 1 1 4 4 LEU N N 4 127.461 127.461 126.041 1.420 19431 5456 1 14 . 1 1 4 4 LEU HA H 4 4.554 4.554 4.525 0.029 19431 5457 1 14 . 1 1 4 4 LEU CA C 4 51.011 51.011 54.063 -3.052 19431 5458 1 14 . 1 1 4 4 LEU CB C 4 41.209 41.209 42.613 -1.404 19431 5459 1 14 . 1 1 5 5 LYS N N 5 121.611 121.611 119.839 1.772 19431 5460 1 14 . 1 1 5 5 LYS HA H 5 4.436 4.436 4.308 0.128 19431 5461 1 14 . 1 1 5 5 LYS CA C 5 53.150 53.150 56.547 -3.397 19431 5462 1 14 . 1 1 5 5 LYS CB C 5 29.359 29.359 31.590 -2.231 19431 5463 1 14 . 1 1 6 6 GLU N N 6 115.825 115.825 115.181 0.644 19431 5464 1 14 . 1 1 6 6 GLU HA H 6 4.269 4.269 4.611 -0.342 19431 5465 1 14 . 1 1 6 6 GLU CA C 6 51.331 51.331 54.192 -2.861 19431 5466 1 14 . 1 1 6 6 GLU CB C 6 29.583 29.583 31.936 -2.353 19431 5467 1 14 . 1 1 7 7 LEU N N 7 118.967 118.967 122.594 -3.627 19431 5468 1 14 . 1 1 7 7 LEU HA H 7 4.311 4.311 4.597 -0.286 19431 5469 1 14 . 1 1 7 7 LEU CA C 7 50.182 50.182 53.203 -3.021 19431 5470 1 14 . 1 1 7 7 LEU CB C 7 39.422 39.422 41.426 -2.004 19431 5471 1 14 . 1 1 8 8 PRO HA H 8 4.432 4.432 4.629 -0.197 19431 5472 1 14 . 1 1 8 8 PRO CA C 8 59.119 59.119 61.944 -2.825 19431 5473 1 14 . 1 1 8 8 PRO CB C 8 29.306 29.306 32.610 -3.304 19431 5474 1 14 . 1 1 9 9 GLU N N 9 121.059 121.059 119.137 1.922 19431 5475 1 14 . 1 1 9 9 GLU HA H 9 4.033 4.033 4.182 -0.149 19431 5476 1 14 . 1 1 9 9 GLU CA C 9 55.281 55.281 58.225 -2.945 19431 5477 1 14 . 1 1 9 9 GLU CB C 9 26.864 26.864 29.547 -2.683 19431 5478 1 14 . 1 1 10 10 GLY N N 10 112.279 112.279 110.116 2.163 19431 5479 1 14 . 1 1 10 10 GLY CA C 10 42.029 42.029 44.232 -2.203 19431 5480 1 14 . 1 1 11 11 PHE N N 11 117.612 117.612 119.288 -1.676 19431 5481 1 14 . 1 1 11 11 PHE HA H 11 4.660 4.660 4.819 -0.159 19431 5482 1 14 . 1 1 11 11 PHE CA C 11 54.280 54.280 56.365 -2.085 19431 5483 1 14 . 1 1 11 11 PHE CB C 11 39.721 39.721 40.571 -0.850 19431 5484 1 14 . 1 1 12 12 ASP N N 12 121.568 121.568 121.365 0.203 19431 5485 1 14 . 1 1 12 12 ASP HA H 12 4.875 4.875 4.846 0.029 19431 5486 1 14 . 1 1 12 12 ASP CA C 12 49.676 49.676 53.054 -3.378 19431 5487 1 14 . 1 1 12 12 ASP CB C 12 42.307 42.307 42.262 0.045 19431 5488 1 14 . 1 1 13 13 LYS N N 13 125.770 125.770 125.493 0.277 19431 5489 1 14 . 1 1 13 13 LYS HA H 13 3.294 3.294 3.204 0.090 19431 5490 1 14 . 1 1 13 13 LYS CA C 13 58.046 58.046 59.829 -1.783 19431 5491 1 14 . 1 1 13 13 LYS CB C 13 30.216 30.216 32.230 -2.014 19431 5492 1 14 . 1 1 14 14 GLU N N 14 118.590 118.590 117.336 1.254 19431 5493 1 14 . 1 1 14 14 GLU HA H 14 4.090 4.090 4.313 -0.223 19431 5494 1 14 . 1 1 14 14 GLU CA C 14 56.364 56.364 58.746 -2.382 19431 5495 1 14 . 1 1 14 14 GLU CB C 14 26.479 26.479 29.816 -3.337 19431 5496 1 14 . 1 1 15 15 THR N N 15 118.372 118.372 117.739 0.633 19431 5497 1 14 . 1 1 15 15 THR HA H 15 3.737 3.737 4.089 -0.352 19431 5498 1 14 . 1 1 15 15 THR CA C 15 63.974 63.974 67.124 -3.150 19431 5499 1 14 . 1 1 15 15 THR CB C 15 65.565 65.565 68.579 -3.014 19431 5500 1 14 . 1 1 16 16 VAL N N 16 121.083 121.083 122.979 -1.896 19431 5501 1 14 . 1 1 16 16 VAL HA H 16 3.329 3.329 3.981 -0.652 19431 5502 1 14 . 1 1 16 16 VAL CA C 16 64.214 64.214 66.290 -2.076 19431 5503 1 14 . 1 1 16 16 VAL CB C 16 29.011 29.011 31.671 -2.660 19431 5504 1 14 . 1 1 17 17 ARG N N 17 119.409 119.409 120.454 -1.045 19431 5505 1 14 . 1 1 17 17 ARG HA H 17 3.737 3.737 4.035 -0.298 19431 5506 1 14 . 1 1 17 17 ARG CA C 17 58.049 58.049 59.830 -1.781 19431 5507 1 14 . 1 1 17 17 ARG CB C 17 27.401 27.401 30.140 -2.739 19431 5508 1 14 . 1 1 18 18 LYS N N 18 116.168 116.168 119.580 -3.412 19431 5509 1 14 . 1 1 18 18 LYS HA H 18 3.800 3.800 4.095 -0.295 19431 5510 1 14 . 1 1 18 18 LYS CA C 18 57.031 57.031 58.487 -1.456 19431 5511 1 14 . 1 1 18 18 LYS CB C 18 29.801 29.801 32.310 -2.509 19431 5512 1 14 . 1 1 19 19 GLN N N 19 120.008 120.008 118.474 1.534 19431 5513 1 14 . 1 1 19 19 GLN HA H 19 3.767 3.767 4.269 -0.502 19431 5514 1 14 . 1 1 19 19 GLN CA C 19 54.492 54.492 55.167 -0.675 19431 5515 1 14 . 1 1 19 19 GLN CB C 19 26.490 26.490 26.689 -0.199 19431 5516 1 14 . 1 1 20 20 ALA N N 20 122.405 122.405 121.774 0.631 19431 5517 1 14 . 1 1 20 20 ALA HA H 20 4.404 4.404 4.360 0.044 19431 5518 1 14 . 1 1 20 20 ALA CA C 20 52.036 52.036 53.670 -1.634 19431 5519 1 14 . 1 1 20 20 ALA CB C 20 16.407 16.407 19.115 -2.708 19431 5520 1 14 . 1 1 21 21 MET N N 21 115.042 115.042 120.253 -5.211 19431 5521 1 14 . 1 1 21 21 MET HA H 21 3.354 3.354 3.384 -0.030 19431 5522 1 14 . 1 1 21 21 MET CA C 21 56.861 56.861 60.368 -3.507 19431 5523 1 14 . 1 1 21 21 MET CB C 21 30.538 30.538 32.481 -1.943 19431 5524 1 14 . 1 1 22 22 GLU N N 22 118.882 118.882 119.280 -0.398 19431 5525 1 14 . 1 1 22 22 GLU HA H 22 3.923 3.923 3.956 -0.033 19431 5526 1 14 . 1 1 22 22 GLU CA C 22 56.675 56.675 59.874 -3.199 19431 5527 1 14 . 1 1 22 22 GLU CB C 22 26.613 26.613 29.288 -2.675 19431 5528 1 14 . 1 1 23 23 ASP N N 23 122.549 122.549 119.242 3.307 19431 5529 1 14 . 1 1 23 23 ASP HA H 23 4.658 4.658 4.468 0.190 19431 5530 1 14 . 1 1 23 23 ASP CA C 23 55.053 55.053 57.553 -2.500 19431 5531 1 14 . 1 1 23 23 ASP CB C 23 37.479 37.479 40.105 -2.626 19431 5532 1 14 . 1 1 24 24 ILE N N 24 123.580 123.580 120.319 3.261 19431 5533 1 14 . 1 1 24 24 ILE HA H 24 3.678 3.678 3.636 0.042 19431 5534 1 14 . 1 1 24 24 ILE CA C 24 63.201 63.201 64.864 -1.663 19431 5535 1 14 . 1 1 24 24 ILE CB C 24 35.138 35.138 37.986 -2.848 19431 5536 1 14 . 1 1 25 25 GLU N N 25 120.591 120.591 120.788 -0.197 19431 5537 1 14 . 1 1 25 25 GLU HA H 25 3.885 3.885 3.863 0.022 19431 5538 1 14 . 1 1 25 25 GLU CA C 25 57.824 57.824 59.736 -1.912 19431 5539 1 14 . 1 1 25 25 GLU CB C 25 25.883 25.883 29.751 -3.868 19431 5540 1 14 . 1 1 26 26 ILE N N 26 121.350 121.350 118.015 3.335 19431 5541 1 14 . 1 1 26 26 ILE HA H 26 3.718 3.718 3.803 -0.085 19431 5542 1 14 . 1 1 26 26 ILE CA C 26 62.881 62.881 64.938 -2.057 19431 5543 1 14 . 1 1 26 26 ILE CB C 26 35.324 35.324 37.849 -2.526 19431 5544 1 14 . 1 1 27 27 ALA N N 27 120.204 120.204 122.319 -2.115 19431 5545 1 14 . 1 1 28 28 GLN N N 28 114.627 114.627 117.811 -3.184 19431 5546 1 14 . 1 1 28 28 GLN CB C 28 26.380 26.380 29.048 -2.668 19431 5547 1 14 . 1 1 29 29 SER N N 29 115.031 115.031 112.548 2.483 19431 5548 1 14 . 1 1 29 29 SER HA H 29 4.260 4.260 4.399 -0.139 19431 5549 1 14 . 1 1 29 29 SER CA C 29 57.768 57.768 58.276 -0.508 19431 5550 1 14 . 1 1 29 29 SER CB C 29 61.367 61.367 63.219 -1.852 19431 5551 1 14 . 1 1 30 30 LYS N N 30 112.834 112.834 118.248 -5.414 19431 5552 1 14 . 1 1 30 30 LYS HA H 30 4.228 4.228 3.824 0.404 19431 5553 1 14 . 1 1 30 30 LYS CA C 30 56.103 56.103 56.630 -0.527 19431 5554 1 14 . 1 1 30 30 LYS CB C 30 26.478 26.478 29.368 -2.890 19431 5555 1 14 . 1 1 31 31 ASP N N 31 121.067 121.067 121.040 0.027 19431 5556 1 14 . 1 1 31 31 ASP HA H 31 4.877 4.877 4.266 0.611 19431 5557 1 14 . 1 1 31 31 ASP CA C 31 49.742 49.742 54.323 -4.581 19431 5558 1 14 . 1 1 31 31 ASP CB C 31 38.652 38.652 42.326 -3.674 19431 5559 1 14 . 1 1 32 32 TYR N N 32 126.671 126.671 122.031 4.640 19431 5560 1 14 . 1 1 32 32 TYR HA H 32 3.311 3.311 4.424 -1.113 19431 5561 1 14 . 1 1 32 32 TYR CA C 32 57.951 57.951 60.149 -2.198 19431 5562 1 14 . 1 1 32 32 TYR CB C 32 36.158 36.158 38.918 -2.760 19431 5563 1 14 . 1 1 33 33 GLU N N 33 115.884 115.884 120.046 -4.162 19431 5564 1 14 . 1 1 33 33 GLU HA H 33 3.442 3.442 4.102 -0.660 19431 5565 1 14 . 1 1 33 33 GLU CA C 33 56.757 56.757 59.483 -2.726 19431 5566 1 14 . 1 1 33 33 GLU CB C 33 26.095 26.095 28.999 -2.904 19431 5567 1 14 . 1 1 34 34 SER N N 34 116.060 116.060 113.754 2.306 19431 5568 1 14 . 1 1 34 34 SER HA H 34 4.026 4.026 4.250 -0.224 19431 5569 1 14 . 1 1 34 34 SER CA C 34 58.953 58.953 60.831 -1.878 19431 5570 1 14 . 1 1 34 34 SER CB C 34 59.683 59.683 63.164 -3.481 19431 5571 1 14 . 1 1 35 35 TRP N N 35 123.977 123.977 122.386 1.591 19431 5572 1 14 . 1 1 35 35 TRP CA C 35 57.894 57.894 59.031 -1.137 19431 5573 1 14 . 1 1 35 35 TRP CB C 35 25.531 25.531 29.295 -3.764 19431 5574 1 14 . 1 1 36 36 LYS N N 36 117.633 117.633 119.909 -2.276 19431 5575 1 14 . 1 1 36 36 LYS HA H 36 3.128 3.128 4.004 -0.876 19431 5576 1 14 . 1 1 36 36 LYS CA C 36 55.998 55.998 60.046 -4.048 19431 5577 1 14 . 1 1 36 36 LYS CB C 36 29.304 29.304 32.123 -2.819 19431 5578 1 14 . 1 1 37 37 SER N N 37 109.835 109.835 112.588 -2.753 19431 5579 1 14 . 1 1 37 37 SER HA H 37 3.989 3.989 4.200 -0.211 19431 5580 1 14 . 1 1 37 37 SER CA C 37 57.765 57.765 60.924 -3.159 19431 5581 1 14 . 1 1 37 37 SER CB C 37 60.606 60.606 62.463 -1.857 19431 5582 1 14 . 1 1 38 38 ARG N N 38 119.946 119.946 118.386 1.560 19431 5583 1 14 . 1 1 38 38 ARG HA H 38 4.144 4.144 4.076 0.068 19431 5584 1 14 . 1 1 38 38 ARG CA C 38 51.208 51.208 55.905 -4.697 19431 5585 1 14 . 1 1 38 38 ARG CB C 38 25.717 25.717 30.122 -4.405 19431 5586 1 14 . 1 1 39 39 PHE N N 39 117.529 117.529 117.470 0.059 19431 5587 1 14 . 1 1 39 39 PHE HA H 39 4.855 4.855 4.905 -0.050 19431 5588 1 14 . 1 1 39 39 PHE CA C 39 54.234 54.234 57.664 -3.430 19431 5589 1 14 . 1 1 39 39 PHE CB C 39 37.547 37.547 40.039 -2.492 19431 5590 1 14 . 1 1 40 40 THR N N 40 113.296 113.296 111.548 1.748 19431 5591 1 14 . 1 1 40 40 THR HA H 40 3.991 3.991 4.405 -0.414 19431 5592 1 14 . 1 1 40 40 THR CA C 40 59.704 59.704 60.810 -1.106 19431 5593 1 14 . 1 1 40 40 THR CB C 40 66.175 66.175 70.902 -4.727 19431 5594 1 14 . 1 1 41 41 LYS N N 41 124.924 124.924 121.664 3.260 19431 5595 1 14 . 1 1 41 41 LYS HA H 41 3.713 3.713 3.912 -0.199 19431 5596 1 14 . 1 1 41 41 LYS CA C 41 57.650 57.650 60.934 -3.284 19431 5597 1 14 . 1 1 41 41 LYS CB C 41 29.363 29.363 32.072 -2.709 19431 5598 1 14 . 1 1 42 42 ASP N N 42 116.255 116.255 118.579 -2.324 19431 5599 1 14 . 1 1 42 42 ASP HA H 42 4.343 4.343 4.402 -0.059 19431 5600 1 14 . 1 1 42 42 ASP CA C 42 53.841 53.841 57.048 -3.207 19431 5601 1 14 . 1 1 42 42 ASP CB C 42 37.703 37.703 40.664 -2.961 19431 5602 1 14 . 1 1 43 43 LEU N N 43 119.134 119.134 119.232 -0.098 19431 5603 1 14 . 1 1 43 43 LEU HA H 43 4.320 4.320 4.042 0.278 19431 5604 1 14 . 1 1 43 43 LEU CA C 43 52.423 52.423 57.370 -4.947 19431 5605 1 14 . 1 1 43 43 LEU CB C 43 40.023 40.023 41.887 -1.864 19431 5606 1 14 . 1 1 44 44 GLN N N 44 119.455 119.455 119.369 0.086 19431 5607 1 14 . 1 1 44 44 GLN HA H 44 3.466 3.466 3.944 -0.478 19431 5608 1 14 . 1 1 44 44 GLN CA C 44 57.437 57.437 59.325 -1.888 19431 5609 1 14 . 1 1 44 44 GLN CB C 44 25.394 25.394 28.648 -3.254 19431 5610 1 14 . 1 1 45 45 SER N N 45 110.605 110.605 114.521 -3.916 19431 5611 1 14 . 1 1 45 45 SER HA H 45 4.211 4.211 4.444 -0.233 19431 5612 1 14 . 1 1 45 45 SER CA C 45 57.621 57.621 59.684 -2.063 19431 5613 1 14 . 1 1 45 45 SER CB C 45 60.094 60.094 63.342 -3.248 19431 5614 1 14 . 1 1 46 46 SER N N 46 115.075 115.075 115.296 -0.221 19431 5615 1 14 . 1 1 46 46 SER HA H 46 4.473 4.473 4.628 -0.155 19431 5616 1 14 . 1 1 46 46 SER CA C 46 55.739 55.739 57.753 -2.014 19431 5617 1 14 . 1 1 46 46 SER CB C 46 61.628 61.628 64.023 -2.395 19431 5618 1 14 . 1 1 47 47 LEU N N 47 124.984 124.984 124.373 0.611 19431 5619 1 14 . 1 1 47 47 LEU HA H 47 4.334 4.334 4.187 0.147 19431 5620 1 14 . 1 1 47 47 LEU CA C 47 52.040 52.040 55.639 -3.599 19431 5621 1 14 . 1 1 47 47 LEU CB C 47 39.810 39.810 42.510 -2.700 19431 5622 1 14 . 1 1 48 48 THR N N 48 111.152 111.152 114.452 -3.300 19431 5623 1 14 . 1 1 48 48 THR HA H 48 4.665 4.665 4.454 0.211 19431 5624 1 14 . 1 1 48 48 THR CA C 48 56.718 56.718 61.053 -4.335 19431 5625 1 14 . 1 1 48 48 THR CB C 48 69.103 69.103 69.290 -0.187 19431 5626 1 14 . 1 1 49 49 GLU N N 49 124.552 124.552 127.018 -2.466 19431 5627 1 14 . 1 1 49 49 GLU HA H 49 3.194 3.194 4.285 -1.091 19431 5628 1 14 . 1 1 49 49 GLU CA C 49 56.770 56.770 60.341 -3.571 19431 5629 1 14 . 1 1 49 49 GLU CB C 49 26.148 26.148 29.357 -3.208 19431 5630 1 14 . 1 1 50 50 GLU N N 50 118.615 118.615 118.524 0.091 19431 5631 1 14 . 1 1 50 50 GLU HA H 50 4.000 4.000 4.028 -0.028 19431 5632 1 14 . 1 1 50 50 GLU CA C 50 57.357 57.357 59.164 -1.808 19431 5633 1 14 . 1 1 50 50 GLU CB C 50 26.511 26.511 29.307 -2.796 19431 5634 1 14 . 1 1 51 51 SER N N 51 116.380 116.380 113.782 2.598 19431 5635 1 14 . 1 1 51 51 SER HA H 51 4.256 4.256 4.508 -0.252 19431 5636 1 14 . 1 1 51 51 SER CA C 51 58.825 58.825 60.124 -1.299 19431 5637 1 14 . 1 1 51 51 SER CB C 51 59.884 59.884 63.425 -3.541 19431 5638 1 14 . 1 1 52 52 TYR N N 52 125.611 125.611 114.691 10.920 19431 5639 1 14 . 1 1 52 52 TYR CB C 52 36.647 36.647 40.059 -3.412 19431 5640 1 14 . 1 1 53 53 ASP N N 53 119.653 119.653 120.406 -0.753 19431 5641 1 14 . 1 1 53 53 ASP HA H 53 4.115 4.115 3.976 0.139 19431 5642 1 14 . 1 1 53 53 ASP CA C 53 54.553 54.553 56.069 -1.516 19431 5643 1 14 . 1 1 53 53 ASP CB C 53 37.477 37.477 41.629 -4.152 19431 5644 1 14 . 1 1 54 54 SER N N 54 114.883 114.883 116.519 -1.636 19431 5645 1 14 . 1 1 54 54 SER HA H 54 3.946 3.946 4.128 -0.182 19431 5646 1 14 . 1 1 54 54 SER CA C 54 59.741 59.741 61.404 -1.663 19431 5647 1 14 . 1 1 54 54 SER CB C 54 59.750 59.750 63.276 -3.526 19431 5648 1 14 . 1 1 55 55 TYR N N 55 123.933 123.933 118.981 4.952 19431 5649 1 14 . 1 1 55 55 TYR HA H 55 4.361 4.361 4.413 -0.052 19431 5650 1 14 . 1 1 55 55 TYR CA C 55 57.213 57.213 58.239 -1.026 19431 5651 1 14 . 1 1 55 55 TYR CB C 55 34.024 34.024 37.080 -3.056 19431 5652 1 14 . 1 1 56 56 LEU N N 56 119.758 119.758 120.932 -1.174 19431 5653 1 14 . 1 1 56 56 LEU HA H 56 3.252 3.252 3.873 -0.621 19431 5654 1 14 . 1 1 56 56 LEU CA C 56 54.681 54.681 57.408 -2.727 19431 5655 1 14 . 1 1 56 56 LEU CB C 56 38.151 38.151 41.070 -2.919 19431 5656 1 14 . 1 1 57 57 LYS N N 57 118.487 118.487 118.981 -0.494 19431 5657 1 14 . 1 1 57 57 LYS HA H 57 3.852 3.852 4.031 -0.179 19431 5658 1 14 . 1 1 57 57 LYS CA C 57 56.090 56.090 58.951 -2.861 19431 5659 1 14 . 1 1 57 57 LYS CB C 57 29.683 29.683 31.812 -2.129 19431 5660 1 14 . 1 1 58 58 ILE N N 58 120.887 120.887 118.357 2.530 19431 5661 1 14 . 1 1 58 58 ILE HA H 58 3.591 3.591 3.918 -0.327 19431 5662 1 14 . 1 1 58 58 ILE CA C 58 61.366 61.366 63.468 -2.102 19431 5663 1 14 . 1 1 58 58 ILE CB C 58 35.144 35.144 37.902 -2.758 19431 5664 1 14 . 1 1 59 59 LEU N N 59 122.273 122.273 122.437 -0.164 19431 5665 1 14 . 1 1 59 59 LEU HA H 59 3.437 3.437 3.752 -0.315 19431 5666 1 14 . 1 1 59 59 LEU CA C 59 54.847 54.847 58.658 -3.811 19431 5667 1 14 . 1 1 59 59 LEU CB C 59 39.071 39.071 41.808 -2.737 19431 5668 1 14 . 1 1 60 60 GLU N N 60 118.591 118.591 116.050 2.541 19431 5669 1 14 . 1 1 60 60 GLU HA H 60 3.810 3.810 4.088 -0.278 19431 5670 1 14 . 1 1 60 60 GLU CA C 60 56.156 56.156 58.511 -2.354 19431 5671 1 14 . 1 1 60 60 GLU CB C 60 26.820 26.820 29.690 -2.870 19431 5672 1 14 . 1 1 61 61 LYS N N 61 115.698 115.698 116.485 -0.787 19431 5673 1 14 . 1 1 61 61 LYS HA H 61 4.029 4.029 4.359 -0.330 19431 5674 1 14 . 1 1 61 61 LYS CA C 61 54.164 54.164 56.388 -2.224 19431 5675 1 14 . 1 1 61 61 LYS CB C 61 29.581 29.581 32.555 -2.974 19431 5676 1 14 . 1 1 62 62 GLN N N 62 114.863 114.863 118.490 -3.627 19431 5677 1 14 . 1 1 62 62 GLN HA H 62 3.851 3.851 4.321 -0.470 19431 5678 1 14 . 1 1 62 62 GLN CA C 62 52.258 52.258 55.298 -3.041 19431 5679 1 14 . 1 1 62 62 GLN CB C 62 25.186 25.186 28.939 -3.753 19431 5680 1 14 . 1 1 63 63 GLY N N 63 101.724 101.724 107.816 -6.092 19431 5681 1 14 . 1 1 63 63 GLY CA C 63 41.815 41.815 45.085 -3.270 19431 5682 1 14 . 1 1 64 64 GLU N N 64 118.731 118.731 120.305 -1.574 19431 5683 1 14 . 1 1 64 64 GLU HA H 64 4.137 4.137 4.858 -0.721 19431 5684 1 14 . 1 1 64 64 GLU CA C 64 54.598 54.598 54.164 0.434 19431 5685 1 14 . 1 1 64 64 GLU CB C 64 28.312 28.312 33.505 -5.193 19431 5686 1 14 . 1 1 65 65 PHE N N 65 123.366 123.366 122.381 0.985 19431 5687 1 14 . 1 1 65 65 PHE HA H 65 3.825 3.825 4.006 -0.181 19431 5688 1 14 . 1 1 65 65 PHE CA C 65 57.419 57.419 58.365 -0.946 19431 5689 1 14 . 1 1 65 65 PHE CB C 65 36.666 36.666 39.007 -2.341 19431 5690 1 14 . 1 1 66 66 LYS N N 66 125.336 125.336 126.557 -1.221 19431 5691 1 14 . 1 1 66 66 LYS HA H 66 4.168 4.168 4.069 0.099 19431 5692 1 14 . 1 1 66 66 LYS CA C 66 53.226 53.226 55.924 -2.698 19431 5693 1 14 . 1 1 66 66 LYS CB C 66 30.293 30.293 33.989 -3.696 19431 5694 1 14 . 1 1 67 67 GLU N N 67 112.076 112.076 117.201 -5.125 19431 5695 1 14 . 1 1 67 67 GLU HA H 67 4.069 4.069 4.237 -0.168 19431 5696 1 14 . 1 1 67 67 GLU CA C 67 52.907 52.907 55.459 -2.552 19431 5697 1 14 . 1 1 67 67 GLU CB C 67 29.378 29.378 32.596 -3.217 19431 5698 1 14 . 1 1 68 68 PHE N N 68 118.706 118.706 119.368 -0.662 19431 5699 1 14 . 1 1 68 68 PHE CB C 68 38.408 38.408 41.250 -2.842 19431 5700 1 14 . 1 1 69 69 GLY N N 69 112.889 112.889 110.053 2.836 19431 5701 1 14 . 1 1 69 69 GLY CA C 69 41.353 41.353 45.311 -3.958 19431 5702 1 14 . 1 1 70 70 LYS N N 70 122.409 122.409 119.650 2.759 19431 5703 1 14 . 1 1 70 70 LYS HA H 70 4.085 4.085 4.517 -0.432 19431 5704 1 14 . 1 1 70 70 LYS CA C 70 54.418 54.418 55.338 -0.920 19431 5705 1 14 . 1 1 70 70 LYS CB C 70 31.197 31.197 35.071 -3.874 19431 5706 1 14 . 1 1 71 71 CYS N N 71 118.509 118.509 124.697 -6.188 19431 5707 1 14 . 1 1 71 71 CYS HA H 71 5.332 5.332 5.323 0.009 19431 5708 1 14 . 1 1 71 71 CYS CA C 71 54.655 54.655 57.093 -2.438 19431 5709 1 14 . 1 1 71 71 CYS CB C 71 28.223 28.223 28.489 -0.266 19431 5710 1 14 . 1 1 72 72 THR N N 72 120.129 120.129 122.300 -2.171 19431 5711 1 14 . 1 1 72 72 THR HA H 72 4.272 4.272 4.285 -0.013 19431 5712 1 14 . 1 1 72 72 THR CA C 72 58.652 58.652 62.113 -3.461 19431 5713 1 14 . 1 1 72 72 THR CB C 72 68.199 68.199 69.343 -1.143 19431 5714 1 14 . 1 1 73 73 TYR N N 73 122.772 122.772 126.991 -4.219 19431 5715 1 14 . 1 1 73 73 TYR HA H 73 5.034 5.034 4.883 0.151 19431 5716 1 14 . 1 1 73 73 TYR CA C 73 55.497 55.497 58.007 -2.510 19431 5717 1 14 . 1 1 73 73 TYR CB C 73 38.271 38.271 39.153 -0.882 19431 5718 1 14 . 1 1 74 74 LEU N N 74 117.980 117.980 120.263 -2.283 19431 5719 1 14 . 1 1 74 74 LEU HA H 74 4.466 4.466 4.614 -0.148 19431 5720 1 14 . 1 1 74 74 LEU CA C 74 51.805 51.805 53.747 -1.942 19431 5721 1 14 . 1 1 74 74 LEU CB C 74 42.030 42.030 46.150 -4.120 19431 5722 1 14 . 1 1 75 75 GLY N N 75 105.257 105.257 107.063 -1.806 19431 5723 1 14 . 1 1 75 75 GLY CA C 75 42.799 42.799 44.688 -1.889 19431 5724 1 14 . 1 1 76 76 GLN N N 76 119.071 119.071 116.799 2.272 19431 5725 1 14 . 1 1 76 76 GLN HA H 76 4.938 4.938 5.039 -0.101 19431 5726 1 14 . 1 1 76 76 GLN CA C 76 52.495 52.495 54.541 -2.046 19431 5727 1 14 . 1 1 76 76 GLN CB C 76 30.498 30.498 32.218 -1.720 19431 5728 1 14 . 1 1 77 77 ILE N N 77 123.550 123.550 120.966 2.584 19431 5729 1 14 . 1 1 77 77 ILE HA H 77 4.992 4.992 5.101 -0.109 19431 5730 1 14 . 1 1 77 77 ILE CA C 77 57.239 57.239 60.465 -3.226 19431 5731 1 14 . 1 1 77 77 ILE CB C 77 36.664 36.664 40.961 -4.297 19431 5732 1 14 . 1 1 78 78 LYS N N 78 127.532 127.532 126.919 0.613 19431 5733 1 14 . 1 1 78 78 LYS HA H 78 4.585 4.585 4.208 0.377 19431 5734 1 14 . 1 1 78 78 LYS CA C 78 52.768 52.768 58.963 -6.195 19431 5735 1 14 . 1 1 78 78 LYS CB C 78 32.536 32.536 33.513 -0.977 19431 5736 1 14 . 1 1 79 79 ASP N N 79 128.019 128.019 116.923 11.096 19431 5737 1 14 . 1 1 79 79 ASP HA H 79 4.168 4.168 4.577 -0.409 19431 5738 1 14 . 1 1 79 79 ASP CA C 79 53.258 53.258 55.757 -2.499 19431 5739 1 14 . 1 1 79 79 ASP CB C 79 36.826 36.826 40.670 -3.844 19431 5740 1 14 . 1 1 80 80 ASN N N 80 110.608 110.608 117.253 -6.645 19431 5741 1 14 . 1 1 80 80 ASN HA H 80 4.168 4.168 4.741 -0.573 19431 5742 1 14 . 1 1 80 80 ASN CA C 80 51.912 51.912 53.288 -1.376 19431 5743 1 14 . 1 1 80 80 ASN CB C 80 35.506 35.506 39.445 -3.939 19431 5744 1 14 . 1 1 81 81 LYS N N 81 121.116 121.116 121.202 -0.086 19431 5745 1 14 . 1 1 81 81 LYS HA H 81 4.482 4.482 4.486 -0.004 19431 5746 1 14 . 1 1 81 81 LYS CA C 81 52.353 52.353 54.758 -2.405 19431 5747 1 14 . 1 1 81 81 LYS CB C 81 32.119 32.119 34.204 -2.085 19431 5748 1 14 . 1 1 82 82 LYS N N 82 119.259 119.259 124.761 -5.502 19431 5749 1 14 . 1 1 82 82 LYS HA H 82 4.765 4.765 5.138 -0.373 19431 5750 1 14 . 1 1 82 82 LYS CA C 82 52.722 52.722 55.188 -2.466 19431 5751 1 14 . 1 1 82 82 LYS CB C 82 32.934 32.934 35.794 -2.860 19431 5752 1 14 . 1 1 83 83 TYR N N 83 118.176 118.176 121.686 -3.510 19431 5753 1 14 . 1 1 83 83 TYR HA H 83 5.275 5.275 5.204 0.071 19431 5754 1 14 . 1 1 83 83 TYR CA C 83 53.383 53.383 56.591 -3.208 19431 5755 1 14 . 1 1 83 83 TYR CB C 83 38.026 38.026 43.046 -5.020 19431 5756 1 14 . 1 1 84 84 GLY N N 84 111.686 111.686 108.265 3.421 19431 5757 1 14 . 1 1 84 84 GLY CA C 84 41.219 41.219 42.915 -1.696 19431 5758 1 14 . 1 1 85 85 GLY N N 85 111.232 111.232 110.024 1.208 19431 5759 1 14 . 1 1 85 85 GLY CA C 85 42.272 42.272 42.791 -0.519 19431 5760 1 14 . 1 1 86 86 VAL N N 86 115.256 115.256 121.118 -5.862 19431 5761 1 14 . 1 1 86 86 VAL HA H 86 5.127 5.127 4.824 0.303 19431 5762 1 14 . 1 1 86 86 VAL CA C 86 55.741 55.741 60.435 -4.694 19431 5763 1 14 . 1 1 86 86 VAL CB C 86 33.129 33.129 34.800 -1.671 19431 5764 1 14 . 1 1 87 87 ILE N N 87 125.124 125.124 130.401 -5.277 19431 5765 1 14 . 1 1 87 87 ILE HA H 87 5.206 5.206 4.409 0.797 19431 5766 1 14 . 1 1 87 87 ILE CA C 87 57.168 57.168 60.972 -3.804 19431 5767 1 14 . 1 1 87 87 ILE CB C 87 36.590 36.590 37.201 -0.611 19431 5768 1 14 . 1 1 88 88 ILE N N 88 128.056 128.056 129.018 -0.962 19431 5769 1 14 . 1 1 88 88 ILE HA H 88 5.146 5.146 4.410 0.736 19431 5770 1 14 . 1 1 88 88 ILE CA C 88 55.356 55.356 59.949 -4.593 19431 5771 1 14 . 1 1 88 88 ILE CB C 88 39.847 39.847 38.488 1.359 19431 5772 1 14 . 1 1 89 89 VAL N N 89 128.326 128.326 130.638 -2.312 19431 5773 1 14 . 1 1 89 89 VAL HA H 89 4.387 4.387 4.698 -0.311 19431 5774 1 14 . 1 1 89 89 VAL CA C 89 59.839 59.839 63.562 -3.723 19431 5775 1 14 . 1 1 89 89 VAL CB C 89 30.295 30.295 32.850 -2.555 19431 5776 1 14 . 1 1 90 90 VAL N N 90 128.738 128.738 126.924 1.814 19431 5777 1 14 . 1 1 90 90 VAL HA H 90 4.207 4.207 4.849 -0.642 19431 5778 1 14 . 1 1 90 90 VAL CA C 90 59.722 59.722 60.142 -0.420 19431 5779 1 14 . 1 1 90 90 VAL CB C 90 31.537 31.537 35.378 -3.841 19431 5780 1 14 . 1 1 91 91 LYS N N 91 126.004 126.004 129.286 -3.282 19431 5781 1 14 . 1 1 91 91 LYS HA H 91 4.629 4.629 4.633 -0.004 19431 5782 1 14 . 1 1 91 91 LYS CA C 91 52.972 52.972 55.488 -2.516 19431 5783 1 14 . 1 1 91 91 LYS CB C 91 30.789 30.789 32.078 -1.289 19431 5784 1 14 . 1 1 92 92 TYR N N 92 123.932 123.932 124.541 -0.609 19431 5785 1 14 . 1 1 92 92 TYR HA H 92 4.940 4.940 4.892 0.048 19431 5786 1 14 . 1 1 92 92 TYR CA C 92 53.905 53.905 57.548 -3.643 19431 5787 1 14 . 1 1 92 92 TYR CB C 92 39.331 39.331 39.950 -0.619 19431 5788 1 14 . 1 1 93 93 GLU N N 93 122.195 122.195 120.282 1.913 19431 5789 1 14 . 1 1 93 93 GLU HA H 93 3.834 3.834 4.127 -0.293 19431 5790 1 14 . 1 1 93 93 GLU CA C 93 57.465 57.465 58.983 -1.518 19431 5791 1 14 . 1 1 93 93 GLU CB C 93 28.695 28.695 30.061 -1.366 19431 5792 1 14 . 1 1 94 94 GLU N N 94 110.219 110.219 115.828 -5.609 19431 5793 1 14 . 1 1 94 94 GLU HA H 94 4.440 4.440 4.561 -0.121 19431 5794 1 14 . 1 1 94 94 GLU CA C 94 52.555 52.555 55.964 -3.409 19431 5795 1 14 . 1 1 94 94 GLU CB C 94 26.861 26.861 31.556 -4.696 19431 5796 1 14 . 1 1 95 95 GLY N N 95 106.566 106.566 107.479 -0.913 19431 5797 1 14 . 1 1 95 95 GLY CA C 95 42.542 42.542 45.342 -2.800 19431 5798 1 14 . 1 1 96 96 ASN N N 96 116.707 116.707 119.941 -3.234 19431 5799 1 14 . 1 1 96 96 ASN HA H 96 5.720 5.720 6.145 -0.425 19431 5800 1 14 . 1 1 96 96 ASN CA C 96 49.003 49.003 52.683 -3.680 19431 5801 1 14 . 1 1 96 96 ASN CB C 96 37.602 37.602 41.178 -3.576 19431 5802 1 14 . 1 1 97 97 VAL N N 97 122.002 122.002 123.541 -1.539 19431 5803 1 14 . 1 1 97 97 VAL HA H 97 4.117 4.117 4.174 -0.057 19431 5804 1 14 . 1 1 97 97 VAL CA C 97 58.404 58.404 60.783 -2.379 19431 5805 1 14 . 1 1 97 97 VAL CB C 97 33.456 33.456 34.047 -0.591 19431 5806 1 14 . 1 1 98 98 ASN N N 98 124.376 124.376 124.928 -0.552 19431 5807 1 14 . 1 1 98 98 ASN HA H 98 5.135 5.135 4.930 0.205 19431 5808 1 14 . 1 1 98 98 ASN CA C 98 48.630 48.630 52.483 -3.853 19431 5809 1 14 . 1 1 98 98 ASN CB C 98 36.031 36.031 38.264 -2.233 19431 5810 1 14 . 1 1 99 99 TYR N N 99 123.932 123.932 124.606 -0.674 19431 5811 1 14 . 1 1 99 99 TYR HA H 99 4.640 4.640 4.724 -0.084 19431 5812 1 14 . 1 1 99 99 TYR CA C 99 55.468 55.468 57.809 -2.341 19431 5813 1 14 . 1 1 99 99 TYR CB C 99 38.122 38.122 37.754 0.368 19431 5814 1 14 . 1 1 100 100 SER N N 100 115.327 115.327 120.734 -5.407 19431 5815 1 14 . 1 1 100 100 SER HA H 100 5.242 5.242 4.526 0.717 19431 5816 1 14 . 1 1 100 100 SER CA C 100 53.767 53.767 58.734 -4.967 19431 5817 1 14 . 1 1 100 100 SER CB C 100 60.649 60.649 62.224 -1.575 19431 5818 1 14 . 1 1 101 101 LEU N N 101 130.521 130.521 127.613 2.908 19431 5819 1 14 . 1 1 101 101 LEU HA H 101 4.978 4.978 4.943 0.035 19431 5820 1 14 . 1 1 101 101 LEU CA C 101 51.756 51.756 53.897 -2.141 19431 5821 1 14 . 1 1 101 101 LEU CB C 101 42.765 42.765 43.134 -0.369 19431 5822 1 14 . 1 1 102 102 ALA N N 102 121.373 121.373 126.561 -5.188 19431 5823 1 14 . 1 1 102 102 ALA HA H 102 4.994 4.994 5.214 -0.220 19431 5824 1 14 . 1 1 102 102 ALA CA C 102 48.505 48.505 50.237 -1.732 19431 5825 1 14 . 1 1 102 102 ALA CB C 102 19.355 19.355 22.817 -3.462 19431 5826 1 14 . 1 1 103 103 TYR N N 103 120.633 120.633 119.586 1.047 19431 5827 1 14 . 1 1 103 103 TYR HA H 103 5.311 5.311 5.630 -0.319 19431 5828 1 14 . 1 1 103 103 TYR CA C 103 55.519 55.519 54.231 1.288 19431 5829 1 14 . 1 1 103 103 TYR CB C 103 42.037 42.037 40.840 1.197 19431 5830 1 14 . 1 1 104 104 ASP N N 104 118.129 118.129 118.283 -0.154 19431 5831 1 14 . 1 1 104 104 ASP HA H 104 5.163 5.163 4.730 0.433 19431 5832 1 14 . 1 1 104 104 ASP CA C 104 49.372 49.372 52.319 -2.947 19431 5833 1 14 . 1 1 104 104 ASP CB C 104 39.054 39.054 41.778 -2.724 19431 5834 1 14 . 1 1 105 105 GLU N N 105 115.031 115.031 119.042 -4.011 19431 5835 1 14 . 1 1 105 105 GLU HA H 105 3.624 3.624 4.204 -0.580 19431 5836 1 14 . 1 1 105 105 GLU CA C 105 55.976 55.976 59.003 -3.027 19431 5837 1 14 . 1 1 105 105 GLU CB C 105 27.111 27.111 29.528 -2.417 19431 5838 1 14 . 1 1 106 106 ASP N N 106 119.038 119.038 118.356 0.682 19431 5839 1 14 . 1 1 107 107 MET N N 107 111.995 111.995 118.143 -6.148 19431 5840 1 14 . 1 1 107 107 MET HA H 107 4.343 4.343 3.873 0.470 19431 5841 1 14 . 1 1 107 107 MET CA C 107 51.671 51.671 55.910 -4.239 19431 5842 1 14 . 1 1 107 107 MET CB C 107 21.629 21.629 30.533 -8.904 19431 5843 1 14 . 1 1 108 108 ASN N N 108 117.079 117.079 116.401 0.678 19431 5844 1 14 . 1 1 108 108 ASN HA H 108 5.111 5.111 5.169 -0.058 19431 5845 1 14 . 1 1 108 108 ASN CA C 108 49.519 49.519 52.206 -2.688 19431 5846 1 14 . 1 1 108 108 ASN CB C 108 37.221 37.221 41.084 -3.862 19431 5847 1 14 . 1 1 109 109 LEU N N 109 122.211 122.211 124.154 -1.943 19431 5848 1 14 . 1 1 109 109 LEU HA H 109 4.020 4.020 4.426 -0.406 19431 5849 1 14 . 1 1 109 109 LEU CA C 109 52.898 52.898 56.783 -3.885 19431 5850 1 14 . 1 1 109 109 LEU CB C 109 40.774 40.774 42.169 -1.395 19431 5851 1 14 . 1 1 110 110 VAL N N 110 109.806 109.806 125.945 -16.139 19431 5852 1 14 . 1 1 110 110 VAL HA H 110 4.551 4.551 4.421 0.130 19431 5853 1 14 . 1 1 110 110 VAL CA C 110 57.276 57.276 62.516 -5.240 19431 5854 1 14 . 1 1 110 110 VAL CB C 110 30.242 30.242 33.692 -3.450 19431 5855 1 14 . 1 1 111 111 SER N N 111 113.487 113.487 115.415 -1.928 19431 5856 1 14 . 1 1 111 111 SER HA H 111 4.476 4.476 4.727 -0.251 19431 5857 1 14 . 1 1 111 111 SER CA C 111 55.637 55.637 58.280 -2.643 19431 5858 1 14 . 1 1 111 111 SER CB C 111 61.288 61.288 65.107 -3.819 19431 5859 1 14 . 1 1 112 112 PHE N N 112 126.988 126.988 126.557 0.431 19431 5860 1 14 . 1 1 112 112 PHE HA H 112 4.991 4.991 5.346 -0.355 19431 5861 1 14 . 1 1 112 112 PHE CA C 112 55.305 55.305 56.683 -1.378 19431 5862 1 14 . 1 1 112 112 PHE CB C 112 40.128 40.128 42.619 -2.491 19431 5863 1 14 . 1 1 113 113 THR N N 113 120.333 120.333 120.788 -0.455 19431 5864 1 14 . 1 1 113 113 THR HA H 113 4.775 4.775 4.472 0.303 19431 5865 1 14 . 1 1 113 113 THR CA C 113 57.888 57.888 60.803 -2.915 19431 5866 1 14 . 1 1 113 113 THR CB C 113 69.193 69.193 71.490 -2.296 19431 5867 1 15 . 1 1 2 2 GLU HA H 2 4.446 4.446 4.622 -0.176 19431 5868 1 15 . 1 1 2 2 GLU CA C 2 53.359 53.359 54.517 -1.158 19431 5869 1 15 . 1 1 2 2 GLU CB C 2 29.108 29.108 32.588 -3.480 19431 5870 1 15 . 1 1 3 3 ILE N N 3 123.144 123.144 123.616 -0.472 19431 5871 1 15 . 1 1 3 3 ILE HA H 3 4.358 4.358 4.628 -0.270 19431 5872 1 15 . 1 1 3 3 ILE CA C 3 57.727 57.727 59.407 -1.680 19431 5873 1 15 . 1 1 3 3 ILE CB C 3 35.665 35.665 38.478 -2.813 19431 5874 1 15 . 1 1 4 4 LEU N N 4 127.461 127.461 127.728 -0.267 19431 5875 1 15 . 1 1 4 4 LEU HA H 4 4.554 4.554 4.621 -0.067 19431 5876 1 15 . 1 1 4 4 LEU CA C 4 51.011 51.011 53.717 -2.706 19431 5877 1 15 . 1 1 4 4 LEU CB C 4 41.209 41.209 42.917 -1.708 19431 5878 1 15 . 1 1 5 5 LYS N N 5 121.611 121.611 120.642 0.969 19431 5879 1 15 . 1 1 5 5 LYS HA H 5 4.436 4.436 4.316 0.120 19431 5880 1 15 . 1 1 5 5 LYS CA C 5 53.150 53.150 56.593 -3.443 19431 5881 1 15 . 1 1 5 5 LYS CB C 5 29.359 29.359 32.024 -2.665 19431 5882 1 15 . 1 1 6 6 GLU N N 6 115.825 115.825 115.803 0.022 19431 5883 1 15 . 1 1 6 6 GLU HA H 6 4.269 4.269 4.526 -0.257 19431 5884 1 15 . 1 1 6 6 GLU CA C 6 51.331 51.331 55.170 -3.839 19431 5885 1 15 . 1 1 6 6 GLU CB C 6 29.583 29.583 30.958 -1.375 19431 5886 1 15 . 1 1 7 7 LEU N N 7 118.967 118.967 122.124 -3.157 19431 5887 1 15 . 1 1 7 7 LEU HA H 7 4.311 4.311 4.527 -0.216 19431 5888 1 15 . 1 1 7 7 LEU CA C 7 50.182 50.182 53.090 -2.908 19431 5889 1 15 . 1 1 7 7 LEU CB C 7 39.422 39.422 41.316 -1.894 19431 5890 1 15 . 1 1 8 8 PRO HA H 8 4.432 4.432 4.507 -0.075 19431 5891 1 15 . 1 1 8 8 PRO CA C 8 59.119 59.119 62.451 -3.332 19431 5892 1 15 . 1 1 8 8 PRO CB C 8 29.306 29.306 32.476 -3.170 19431 5893 1 15 . 1 1 9 9 GLU N N 9 121.059 121.059 118.933 2.126 19431 5894 1 15 . 1 1 9 9 GLU HA H 9 4.033 4.033 4.174 -0.141 19431 5895 1 15 . 1 1 9 9 GLU CA C 9 55.281 55.281 57.343 -2.062 19431 5896 1 15 . 1 1 9 9 GLU CB C 9 26.864 26.864 29.966 -3.102 19431 5897 1 15 . 1 1 10 10 GLY N N 10 112.279 112.279 111.568 0.711 19431 5898 1 15 . 1 1 10 10 GLY CA C 10 42.029 42.029 44.417 -2.388 19431 5899 1 15 . 1 1 11 11 PHE N N 11 117.612 117.612 119.187 -1.575 19431 5900 1 15 . 1 1 11 11 PHE HA H 11 4.660 4.660 4.798 -0.138 19431 5901 1 15 . 1 1 11 11 PHE CA C 11 54.280 54.280 56.331 -2.051 19431 5902 1 15 . 1 1 11 11 PHE CB C 11 39.721 39.721 40.736 -1.015 19431 5903 1 15 . 1 1 12 12 ASP N N 12 121.568 121.568 120.663 0.905 19431 5904 1 15 . 1 1 12 12 ASP HA H 12 4.875 4.875 4.802 0.073 19431 5905 1 15 . 1 1 12 12 ASP CA C 12 49.676 49.676 52.848 -3.172 19431 5906 1 15 . 1 1 12 12 ASP CB C 12 42.307 42.307 43.098 -0.791 19431 5907 1 15 . 1 1 13 13 LYS N N 13 125.770 125.770 124.021 1.749 19431 5908 1 15 . 1 1 13 13 LYS HA H 13 3.294 3.294 3.318 -0.024 19431 5909 1 15 . 1 1 13 13 LYS CA C 13 58.046 58.046 59.967 -1.921 19431 5910 1 15 . 1 1 13 13 LYS CB C 13 30.216 30.216 32.253 -2.037 19431 5911 1 15 . 1 1 14 14 GLU N N 14 118.590 118.590 118.609 -0.019 19431 5912 1 15 . 1 1 14 14 GLU HA H 14 4.090 4.090 4.282 -0.192 19431 5913 1 15 . 1 1 14 14 GLU CA C 14 56.364 56.364 59.293 -2.929 19431 5914 1 15 . 1 1 14 14 GLU CB C 14 26.479 26.479 29.120 -2.641 19431 5915 1 15 . 1 1 15 15 THR N N 15 118.372 118.372 118.482 -0.110 19431 5916 1 15 . 1 1 15 15 THR HA H 15 3.737 3.737 4.055 -0.318 19431 5917 1 15 . 1 1 15 15 THR CA C 15 63.974 63.974 67.394 -3.420 19431 5918 1 15 . 1 1 15 15 THR CB C 15 65.565 65.565 68.622 -3.057 19431 5919 1 15 . 1 1 16 16 VAL N N 16 121.083 121.083 122.009 -0.926 19431 5920 1 15 . 1 1 16 16 VAL HA H 16 3.329 3.329 4.100 -0.771 19431 5921 1 15 . 1 1 16 16 VAL CA C 16 64.214 64.214 65.953 -1.739 19431 5922 1 15 . 1 1 16 16 VAL CB C 16 29.011 29.011 31.738 -2.727 19431 5923 1 15 . 1 1 17 17 ARG N N 17 119.409 119.409 120.377 -0.968 19431 5924 1 15 . 1 1 17 17 ARG HA H 17 3.737 3.737 4.078 -0.341 19431 5925 1 15 . 1 1 17 17 ARG CA C 17 58.049 58.049 59.703 -1.654 19431 5926 1 15 . 1 1 17 17 ARG CB C 17 27.401 27.401 30.171 -2.770 19431 5927 1 15 . 1 1 18 18 LYS N N 18 116.168 116.168 118.643 -2.475 19431 5928 1 15 . 1 1 18 18 LYS HA H 18 3.800 3.800 3.975 -0.175 19431 5929 1 15 . 1 1 18 18 LYS CA C 18 57.031 57.031 59.340 -2.309 19431 5930 1 15 . 1 1 18 18 LYS CB C 18 29.801 29.801 32.235 -2.434 19431 5931 1 15 . 1 1 19 19 GLN N N 19 120.008 120.008 117.612 2.396 19431 5932 1 15 . 1 1 19 19 GLN HA H 19 3.767 3.767 4.115 -0.348 19431 5933 1 15 . 1 1 19 19 GLN CA C 19 54.492 54.492 58.163 -3.671 19431 5934 1 15 . 1 1 19 19 GLN CB C 19 26.490 26.490 28.238 -1.748 19431 5935 1 15 . 1 1 20 20 ALA N N 20 122.405 122.405 121.252 1.153 19431 5936 1 15 . 1 1 20 20 ALA HA H 20 4.404 4.404 4.332 0.072 19431 5937 1 15 . 1 1 20 20 ALA CA C 20 52.036 52.036 54.322 -2.286 19431 5938 1 15 . 1 1 20 20 ALA CB C 20 16.407 16.407 18.640 -2.233 19431 5939 1 15 . 1 1 21 21 MET N N 21 115.042 115.042 118.525 -3.483 19431 5940 1 15 . 1 1 21 21 MET HA H 21 3.354 3.354 3.391 -0.037 19431 5941 1 15 . 1 1 21 21 MET CA C 21 56.861 56.861 59.303 -2.442 19431 5942 1 15 . 1 1 21 21 MET CB C 21 30.538 30.538 32.056 -1.518 19431 5943 1 15 . 1 1 22 22 GLU N N 22 118.882 118.882 119.151 -0.269 19431 5944 1 15 . 1 1 22 22 GLU HA H 22 3.923 3.923 4.011 -0.088 19431 5945 1 15 . 1 1 22 22 GLU CA C 22 56.675 56.675 59.283 -2.608 19431 5946 1 15 . 1 1 22 22 GLU CB C 22 26.613 26.613 29.407 -2.794 19431 5947 1 15 . 1 1 23 23 ASP N N 23 122.549 122.549 119.216 3.333 19431 5948 1 15 . 1 1 23 23 ASP HA H 23 4.658 4.658 4.594 0.064 19431 5949 1 15 . 1 1 23 23 ASP CA C 23 55.053 55.053 57.182 -2.129 19431 5950 1 15 . 1 1 23 23 ASP CB C 23 37.479 37.479 40.714 -3.235 19431 5951 1 15 . 1 1 24 24 ILE N N 24 123.580 123.580 120.373 3.207 19431 5952 1 15 . 1 1 24 24 ILE HA H 24 3.678 3.678 3.509 0.169 19431 5953 1 15 . 1 1 24 24 ILE CA C 24 63.201 63.201 65.202 -2.001 19431 5954 1 15 . 1 1 24 24 ILE CB C 24 35.138 35.138 37.897 -2.759 19431 5955 1 15 . 1 1 25 25 GLU N N 25 120.591 120.591 119.298 1.293 19431 5956 1 15 . 1 1 25 25 GLU HA H 25 3.885 3.885 4.058 -0.173 19431 5957 1 15 . 1 1 25 25 GLU CA C 25 57.824 57.824 59.125 -1.301 19431 5958 1 15 . 1 1 25 25 GLU CB C 25 25.883 25.883 29.656 -3.773 19431 5959 1 15 . 1 1 26 26 ILE N N 26 121.350 121.350 119.293 2.057 19431 5960 1 15 . 1 1 26 26 ILE HA H 26 3.718 3.718 3.803 -0.085 19431 5961 1 15 . 1 1 26 26 ILE CA C 26 62.881 62.881 64.980 -2.099 19431 5962 1 15 . 1 1 26 26 ILE CB C 26 35.324 35.324 37.917 -2.594 19431 5963 1 15 . 1 1 27 27 ALA N N 27 120.204 120.204 121.748 -1.544 19431 5964 1 15 . 1 1 28 28 GLN N N 28 114.627 114.627 118.195 -3.568 19431 5965 1 15 . 1 1 28 28 GLN CB C 28 26.380 26.380 28.977 -2.597 19431 5966 1 15 . 1 1 29 29 SER N N 29 115.031 115.031 112.480 2.551 19431 5967 1 15 . 1 1 29 29 SER HA H 29 4.260 4.260 4.452 -0.192 19431 5968 1 15 . 1 1 29 29 SER CA C 29 57.768 57.768 58.112 -0.344 19431 5969 1 15 . 1 1 29 29 SER CB C 29 61.367 61.367 62.998 -1.631 19431 5970 1 15 . 1 1 30 30 LYS N N 30 112.834 112.834 117.839 -5.005 19431 5971 1 15 . 1 1 30 30 LYS HA H 30 4.228 4.228 3.816 0.412 19431 5972 1 15 . 1 1 30 30 LYS CA C 30 56.103 56.103 56.938 -0.835 19431 5973 1 15 . 1 1 30 30 LYS CB C 30 26.478 26.478 29.650 -3.172 19431 5974 1 15 . 1 1 31 31 ASP N N 31 121.067 121.067 119.599 1.468 19431 5975 1 15 . 1 1 31 31 ASP HA H 31 4.877 4.877 4.353 0.524 19431 5976 1 15 . 1 1 31 31 ASP CA C 31 49.742 49.742 53.763 -4.021 19431 5977 1 15 . 1 1 31 31 ASP CB C 31 38.652 38.652 42.119 -3.467 19431 5978 1 15 . 1 1 32 32 TYR N N 32 126.671 126.671 122.532 4.139 19431 5979 1 15 . 1 1 32 32 TYR HA H 32 3.311 3.311 3.982 -0.671 19431 5980 1 15 . 1 1 32 32 TYR CA C 32 57.951 57.951 59.273 -1.322 19431 5981 1 15 . 1 1 32 32 TYR CB C 32 36.158 36.158 38.411 -2.253 19431 5982 1 15 . 1 1 33 33 GLU N N 33 115.884 115.884 118.526 -2.642 19431 5983 1 15 . 1 1 33 33 GLU HA H 33 3.442 3.442 4.119 -0.677 19431 5984 1 15 . 1 1 33 33 GLU CA C 33 56.757 56.757 59.236 -2.479 19431 5985 1 15 . 1 1 33 33 GLU CB C 33 26.095 26.095 28.890 -2.795 19431 5986 1 15 . 1 1 34 34 SER N N 34 116.060 116.060 113.042 3.018 19431 5987 1 15 . 1 1 34 34 SER HA H 34 4.026 4.026 4.287 -0.261 19431 5988 1 15 . 1 1 34 34 SER CA C 34 58.953 58.953 60.531 -1.578 19431 5989 1 15 . 1 1 34 34 SER CB C 34 59.683 59.683 63.178 -3.495 19431 5990 1 15 . 1 1 35 35 TRP N N 35 123.977 123.977 123.125 0.852 19431 5991 1 15 . 1 1 35 35 TRP CA C 35 57.894 57.894 58.953 -1.059 19431 5992 1 15 . 1 1 35 35 TRP CB C 35 25.531 25.531 29.120 -3.589 19431 5993 1 15 . 1 1 36 36 LYS N N 36 117.633 117.633 120.859 -3.226 19431 5994 1 15 . 1 1 36 36 LYS HA H 36 3.128 3.128 3.890 -0.762 19431 5995 1 15 . 1 1 36 36 LYS CA C 36 55.998 55.998 60.172 -4.175 19431 5996 1 15 . 1 1 36 36 LYS CB C 36 29.304 29.304 32.201 -2.897 19431 5997 1 15 . 1 1 37 37 SER N N 37 109.835 109.835 112.677 -2.842 19431 5998 1 15 . 1 1 37 37 SER HA H 37 3.989 3.989 4.242 -0.253 19431 5999 1 15 . 1 1 37 37 SER CA C 37 57.765 57.765 60.585 -2.820 19431 6000 1 15 . 1 1 37 37 SER CB C 37 60.606 60.606 62.697 -2.091 19431 6001 1 15 . 1 1 38 38 ARG N N 38 119.946 119.946 120.404 -0.458 19431 6002 1 15 . 1 1 38 38 ARG HA H 38 4.144 4.144 4.107 0.037 19431 6003 1 15 . 1 1 38 38 ARG CA C 38 51.208 51.208 56.721 -5.513 19431 6004 1 15 . 1 1 38 38 ARG CB C 38 25.717 25.717 30.435 -4.718 19431 6005 1 15 . 1 1 39 39 PHE N N 39 117.529 117.529 116.898 0.631 19431 6006 1 15 . 1 1 39 39 PHE HA H 39 4.855 4.855 4.754 0.101 19431 6007 1 15 . 1 1 39 39 PHE CA C 39 54.234 54.234 58.133 -3.899 19431 6008 1 15 . 1 1 39 39 PHE CB C 39 37.547 37.547 40.069 -2.522 19431 6009 1 15 . 1 1 40 40 THR N N 40 113.296 113.296 110.503 2.793 19431 6010 1 15 . 1 1 40 40 THR HA H 40 3.991 3.991 4.528 -0.537 19431 6011 1 15 . 1 1 40 40 THR CA C 40 59.704 59.704 60.938 -1.234 19431 6012 1 15 . 1 1 40 40 THR CB C 40 66.175 66.175 70.748 -4.573 19431 6013 1 15 . 1 1 41 41 LYS N N 41 124.924 124.924 119.908 5.016 19431 6014 1 15 . 1 1 41 41 LYS HA H 41 3.713 3.713 4.121 -0.408 19431 6015 1 15 . 1 1 41 41 LYS CA C 41 57.650 57.650 59.169 -1.519 19431 6016 1 15 . 1 1 41 41 LYS CB C 41 29.363 29.363 31.753 -2.390 19431 6017 1 15 . 1 1 42 42 ASP N N 42 116.255 116.255 119.417 -3.162 19431 6018 1 15 . 1 1 42 42 ASP HA H 42 4.343 4.343 4.620 -0.277 19431 6019 1 15 . 1 1 42 42 ASP CA C 42 53.841 53.841 56.400 -2.559 19431 6020 1 15 . 1 1 42 42 ASP CB C 42 37.703 37.703 41.857 -4.154 19431 6021 1 15 . 1 1 43 43 LEU N N 43 119.134 119.134 120.778 -1.644 19431 6022 1 15 . 1 1 43 43 LEU HA H 43 4.320 4.320 4.078 0.242 19431 6023 1 15 . 1 1 43 43 LEU CA C 43 52.423 52.423 57.382 -4.959 19431 6024 1 15 . 1 1 43 43 LEU CB C 43 40.023 40.023 41.981 -1.958 19431 6025 1 15 . 1 1 44 44 GLN N N 44 119.455 119.455 116.992 2.463 19431 6026 1 15 . 1 1 44 44 GLN HA H 44 3.466 3.466 3.908 -0.442 19431 6027 1 15 . 1 1 44 44 GLN CA C 44 57.437 57.437 58.704 -1.267 19431 6028 1 15 . 1 1 44 44 GLN CB C 44 25.394 25.394 28.803 -3.409 19431 6029 1 15 . 1 1 45 45 SER N N 45 110.605 110.605 113.612 -3.007 19431 6030 1 15 . 1 1 45 45 SER HA H 45 4.211 4.211 4.397 -0.186 19431 6031 1 15 . 1 1 45 45 SER CA C 45 57.621 57.621 60.450 -2.829 19431 6032 1 15 . 1 1 45 45 SER CB C 45 60.094 60.094 62.793 -2.699 19431 6033 1 15 . 1 1 46 46 SER N N 46 115.075 115.075 116.038 -0.963 19431 6034 1 15 . 1 1 46 46 SER HA H 46 4.473 4.473 4.463 0.010 19431 6035 1 15 . 1 1 46 46 SER CA C 46 55.739 55.739 58.679 -2.940 19431 6036 1 15 . 1 1 46 46 SER CB C 46 61.628 61.628 63.483 -1.855 19431 6037 1 15 . 1 1 47 47 LEU N N 47 124.984 124.984 122.824 2.160 19431 6038 1 15 . 1 1 47 47 LEU HA H 47 4.334 4.334 4.195 0.139 19431 6039 1 15 . 1 1 47 47 LEU CA C 47 52.040 52.040 54.904 -2.864 19431 6040 1 15 . 1 1 47 47 LEU CB C 47 39.810 39.810 42.320 -2.510 19431 6041 1 15 . 1 1 48 48 THR N N 48 111.152 111.152 111.163 -0.011 19431 6042 1 15 . 1 1 48 48 THR HA H 48 4.665 4.665 4.531 0.134 19431 6043 1 15 . 1 1 48 48 THR CA C 48 56.718 56.718 60.192 -3.474 19431 6044 1 15 . 1 1 48 48 THR CB C 48 69.103 69.103 71.814 -2.711 19431 6045 1 15 . 1 1 49 49 GLU N N 49 124.552 124.552 123.396 1.156 19431 6046 1 15 . 1 1 49 49 GLU HA H 49 3.194 3.194 4.134 -0.940 19431 6047 1 15 . 1 1 49 49 GLU CA C 49 56.770 56.770 59.982 -3.212 19431 6048 1 15 . 1 1 49 49 GLU CB C 49 26.148 26.148 29.276 -3.128 19431 6049 1 15 . 1 1 50 50 GLU N N 50 118.615 118.615 119.641 -1.026 19431 6050 1 15 . 1 1 50 50 GLU HA H 50 4.000 4.000 4.104 -0.104 19431 6051 1 15 . 1 1 50 50 GLU CA C 50 57.357 57.357 59.088 -1.731 19431 6052 1 15 . 1 1 50 50 GLU CB C 50 26.511 26.511 29.269 -2.758 19431 6053 1 15 . 1 1 51 51 SER N N 51 116.380 116.380 113.892 2.488 19431 6054 1 15 . 1 1 51 51 SER HA H 51 4.256 4.256 4.260 -0.004 19431 6055 1 15 . 1 1 51 51 SER CA C 51 58.825 58.825 60.132 -1.307 19431 6056 1 15 . 1 1 51 51 SER CB C 51 59.884 59.884 62.762 -2.878 19431 6057 1 15 . 1 1 52 52 TYR N N 52 125.611 125.611 119.980 5.631 19431 6058 1 15 . 1 1 52 52 TYR CB C 52 36.647 36.647 38.895 -2.248 19431 6059 1 15 . 1 1 53 53 ASP N N 53 119.653 119.653 120.519 -0.866 19431 6060 1 15 . 1 1 53 53 ASP HA H 53 4.115 4.115 4.341 -0.227 19431 6061 1 15 . 1 1 53 53 ASP CA C 53 54.553 54.553 57.832 -3.279 19431 6062 1 15 . 1 1 53 53 ASP CB C 53 37.477 37.477 40.796 -3.319 19431 6063 1 15 . 1 1 54 54 SER N N 54 114.883 114.883 114.849 0.034 19431 6064 1 15 . 1 1 54 54 SER HA H 54 3.946 3.946 4.213 -0.267 19431 6065 1 15 . 1 1 54 54 SER CA C 54 59.741 59.741 61.050 -1.309 19431 6066 1 15 . 1 1 54 54 SER CB C 54 59.750 59.750 63.295 -3.545 19431 6067 1 15 . 1 1 55 55 TYR N N 55 123.933 123.933 123.684 0.249 19431 6068 1 15 . 1 1 55 55 TYR HA H 55 4.361 4.361 4.247 0.114 19431 6069 1 15 . 1 1 55 55 TYR CA C 55 57.213 57.213 61.098 -3.885 19431 6070 1 15 . 1 1 55 55 TYR CB C 55 34.024 34.024 38.280 -4.256 19431 6071 1 15 . 1 1 56 56 LEU N N 56 119.758 119.758 117.834 1.924 19431 6072 1 15 . 1 1 56 56 LEU HA H 56 3.252 3.252 3.589 -0.337 19431 6073 1 15 . 1 1 56 56 LEU CA C 56 54.681 54.681 57.307 -2.627 19431 6074 1 15 . 1 1 56 56 LEU CB C 56 38.151 38.151 41.147 -2.996 19431 6075 1 15 . 1 1 57 57 LYS N N 57 118.487 118.487 118.588 -0.101 19431 6076 1 15 . 1 1 57 57 LYS HA H 57 3.852 3.852 4.044 -0.192 19431 6077 1 15 . 1 1 57 57 LYS CA C 57 56.090 56.090 58.784 -2.694 19431 6078 1 15 . 1 1 57 57 LYS CB C 57 29.683 29.683 31.927 -2.244 19431 6079 1 15 . 1 1 58 58 ILE N N 58 120.887 120.887 119.343 1.544 19431 6080 1 15 . 1 1 58 58 ILE HA H 58 3.591 3.591 3.747 -0.156 19431 6081 1 15 . 1 1 58 58 ILE CA C 58 61.366 61.366 63.837 -2.471 19431 6082 1 15 . 1 1 58 58 ILE CB C 58 35.144 35.144 37.798 -2.654 19431 6083 1 15 . 1 1 59 59 LEU N N 59 122.273 122.273 122.451 -0.178 19431 6084 1 15 . 1 1 59 59 LEU HA H 59 3.437 3.437 3.688 -0.251 19431 6085 1 15 . 1 1 59 59 LEU CA C 59 54.847 54.847 57.940 -3.093 19431 6086 1 15 . 1 1 59 59 LEU CB C 59 39.071 39.071 41.333 -2.262 19431 6087 1 15 . 1 1 60 60 GLU N N 60 118.591 118.591 116.171 2.420 19431 6088 1 15 . 1 1 60 60 GLU HA H 60 3.810 3.810 3.898 -0.088 19431 6089 1 15 . 1 1 60 60 GLU CA C 60 56.156 56.156 58.804 -2.648 19431 6090 1 15 . 1 1 60 60 GLU CB C 60 26.820 26.820 29.499 -2.679 19431 6091 1 15 . 1 1 61 61 LYS N N 61 115.698 115.698 116.170 -0.472 19431 6092 1 15 . 1 1 61 61 LYS HA H 61 4.029 4.029 4.193 -0.164 19431 6093 1 15 . 1 1 61 61 LYS CA C 61 54.164 54.164 57.214 -3.050 19431 6094 1 15 . 1 1 61 61 LYS CB C 61 29.581 29.581 32.803 -3.222 19431 6095 1 15 . 1 1 62 62 GLN N N 62 114.863 114.863 115.666 -0.803 19431 6096 1 15 . 1 1 62 62 GLN HA H 62 3.851 3.851 4.500 -0.649 19431 6097 1 15 . 1 1 62 62 GLN CA C 62 52.258 52.258 55.448 -3.190 19431 6098 1 15 . 1 1 62 62 GLN CB C 62 25.186 25.186 30.632 -5.446 19431 6099 1 15 . 1 1 63 63 GLY N N 63 101.724 101.724 110.482 -8.758 19431 6100 1 15 . 1 1 63 63 GLY CA C 63 41.815 41.815 44.792 -2.978 19431 6101 1 15 . 1 1 64 64 GLU N N 64 118.731 118.731 120.458 -1.727 19431 6102 1 15 . 1 1 64 64 GLU HA H 64 4.137 4.137 4.720 -0.583 19431 6103 1 15 . 1 1 64 64 GLU CA C 64 54.598 54.598 55.128 -0.530 19431 6104 1 15 . 1 1 64 64 GLU CB C 64 28.312 28.312 31.211 -2.899 19431 6105 1 15 . 1 1 65 65 PHE N N 65 123.366 123.366 125.382 -2.016 19431 6106 1 15 . 1 1 65 65 PHE HA H 65 3.825 3.825 3.916 -0.091 19431 6107 1 15 . 1 1 65 65 PHE CA C 65 57.419 57.419 59.672 -2.253 19431 6108 1 15 . 1 1 65 65 PHE CB C 65 36.666 36.666 39.102 -2.436 19431 6109 1 15 . 1 1 66 66 LYS N N 66 125.336 125.336 126.834 -1.498 19431 6110 1 15 . 1 1 66 66 LYS HA H 66 4.168 4.168 3.999 0.169 19431 6111 1 15 . 1 1 66 66 LYS CA C 66 53.226 53.226 56.291 -3.065 19431 6112 1 15 . 1 1 66 66 LYS CB C 66 30.293 30.293 33.970 -3.677 19431 6113 1 15 . 1 1 67 67 GLU N N 67 112.076 112.076 116.716 -4.640 19431 6114 1 15 . 1 1 67 67 GLU HA H 67 4.069 4.069 4.034 0.035 19431 6115 1 15 . 1 1 67 67 GLU CA C 67 52.907 52.907 55.211 -2.304 19431 6116 1 15 . 1 1 67 67 GLU CB C 67 29.378 29.378 32.021 -2.643 19431 6117 1 15 . 1 1 68 68 PHE N N 68 118.706 118.706 121.448 -2.742 19431 6118 1 15 . 1 1 68 68 PHE CB C 68 38.408 38.408 39.117 -0.709 19431 6119 1 15 . 1 1 69 69 GLY N N 69 112.889 112.889 111.484 1.405 19431 6120 1 15 . 1 1 69 69 GLY CA C 69 41.353 41.353 43.639 -2.286 19431 6121 1 15 . 1 1 70 70 LYS N N 70 122.409 122.409 118.768 3.641 19431 6122 1 15 . 1 1 70 70 LYS HA H 70 4.085 4.085 4.192 -0.107 19431 6123 1 15 . 1 1 70 70 LYS CA C 70 54.418 54.418 57.188 -2.770 19431 6124 1 15 . 1 1 70 70 LYS CB C 70 31.197 31.197 33.206 -2.009 19431 6125 1 15 . 1 1 71 71 CYS N N 71 118.509 118.509 125.848 -7.339 19431 6126 1 15 . 1 1 71 71 CYS HA H 71 5.332 5.332 5.097 0.235 19431 6127 1 15 . 1 1 71 71 CYS CA C 71 54.655 54.655 56.197 -1.542 19431 6128 1 15 . 1 1 71 71 CYS CB C 71 28.223 28.223 26.796 1.427 19431 6129 1 15 . 1 1 72 72 THR N N 72 120.129 120.129 122.763 -2.634 19431 6130 1 15 . 1 1 72 72 THR HA H 72 4.272 4.272 4.298 -0.026 19431 6131 1 15 . 1 1 72 72 THR CA C 72 58.652 58.652 62.306 -3.654 19431 6132 1 15 . 1 1 72 72 THR CB C 72 68.199 68.199 69.131 -0.932 19431 6133 1 15 . 1 1 73 73 TYR N N 73 122.772 122.772 127.177 -4.405 19431 6134 1 15 . 1 1 73 73 TYR HA H 73 5.034 5.034 4.632 0.402 19431 6135 1 15 . 1 1 73 73 TYR CA C 73 55.497 55.497 58.753 -3.256 19431 6136 1 15 . 1 1 73 73 TYR CB C 73 38.271 38.271 39.128 -0.857 19431 6137 1 15 . 1 1 74 74 LEU N N 74 117.980 117.980 119.448 -1.468 19431 6138 1 15 . 1 1 74 74 LEU HA H 74 4.466 4.466 4.795 -0.329 19431 6139 1 15 . 1 1 74 74 LEU CA C 74 51.805 51.805 53.974 -2.168 19431 6140 1 15 . 1 1 74 74 LEU CB C 74 42.030 42.030 46.165 -4.135 19431 6141 1 15 . 1 1 75 75 GLY N N 75 105.257 105.257 106.835 -1.578 19431 6142 1 15 . 1 1 75 75 GLY CA C 75 42.799 42.799 44.559 -1.760 19431 6143 1 15 . 1 1 76 76 GLN N N 76 119.071 119.071 118.184 0.887 19431 6144 1 15 . 1 1 76 76 GLN HA H 76 4.938 4.938 5.304 -0.366 19431 6145 1 15 . 1 1 76 76 GLN CA C 76 52.495 52.495 54.637 -2.142 19431 6146 1 15 . 1 1 76 76 GLN CB C 76 30.498 30.498 33.163 -2.666 19431 6147 1 15 . 1 1 77 77 ILE N N 77 123.550 123.550 121.831 1.719 19431 6148 1 15 . 1 1 77 77 ILE HA H 77 4.992 4.992 5.171 -0.179 19431 6149 1 15 . 1 1 77 77 ILE CA C 77 57.239 57.239 60.167 -2.928 19431 6150 1 15 . 1 1 77 77 ILE CB C 77 36.664 36.664 39.880 -3.216 19431 6151 1 15 . 1 1 78 78 LYS N N 78 127.532 127.532 128.689 -1.157 19431 6152 1 15 . 1 1 78 78 LYS HA H 78 4.585 4.585 4.186 0.399 19431 6153 1 15 . 1 1 78 78 LYS CA C 78 52.768 52.768 59.342 -6.574 19431 6154 1 15 . 1 1 78 78 LYS CB C 78 32.536 32.536 33.301 -0.765 19431 6155 1 15 . 1 1 79 79 ASP N N 79 128.019 128.019 116.483 11.536 19431 6156 1 15 . 1 1 79 79 ASP HA H 79 4.168 4.168 4.791 -0.623 19431 6157 1 15 . 1 1 79 79 ASP CA C 79 53.258 53.258 55.719 -2.461 19431 6158 1 15 . 1 1 79 79 ASP CB C 79 36.826 36.826 42.699 -5.873 19431 6159 1 15 . 1 1 80 80 ASN N N 80 110.608 110.608 115.884 -5.276 19431 6160 1 15 . 1 1 80 80 ASN HA H 80 4.168 4.168 4.777 -0.609 19431 6161 1 15 . 1 1 80 80 ASN CA C 80 51.912 51.912 53.170 -1.258 19431 6162 1 15 . 1 1 80 80 ASN CB C 80 35.506 35.506 39.840 -4.334 19431 6163 1 15 . 1 1 81 81 LYS N N 81 121.116 121.116 120.177 0.939 19431 6164 1 15 . 1 1 81 81 LYS HA H 81 4.482 4.482 4.487 -0.005 19431 6165 1 15 . 1 1 81 81 LYS CA C 81 52.353 52.353 54.545 -2.192 19431 6166 1 15 . 1 1 81 81 LYS CB C 81 32.119 32.119 34.030 -1.911 19431 6167 1 15 . 1 1 82 82 LYS N N 82 119.259 119.259 121.987 -2.728 19431 6168 1 15 . 1 1 82 82 LYS HA H 82 4.765 4.765 5.383 -0.618 19431 6169 1 15 . 1 1 82 82 LYS CA C 82 52.722 52.722 55.084 -2.362 19431 6170 1 15 . 1 1 82 82 LYS CB C 82 32.934 32.934 35.826 -2.892 19431 6171 1 15 . 1 1 83 83 TYR N N 83 118.176 118.176 118.951 -0.775 19431 6172 1 15 . 1 1 83 83 TYR HA H 83 5.275 5.275 5.003 0.272 19431 6173 1 15 . 1 1 83 83 TYR CA C 83 53.383 53.383 56.824 -3.441 19431 6174 1 15 . 1 1 83 83 TYR CB C 83 38.026 38.026 43.178 -5.152 19431 6175 1 15 . 1 1 84 84 GLY N N 84 111.686 111.686 108.881 2.805 19431 6176 1 15 . 1 1 84 84 GLY CA C 84 41.219 41.219 42.986 -1.767 19431 6177 1 15 . 1 1 85 85 GLY N N 85 111.232 111.232 110.387 0.845 19431 6178 1 15 . 1 1 85 85 GLY CA C 85 42.272 42.272 42.867 -0.595 19431 6179 1 15 . 1 1 86 86 VAL N N 86 115.256 115.256 121.069 -5.813 19431 6180 1 15 . 1 1 86 86 VAL HA H 86 5.127 5.127 4.694 0.433 19431 6181 1 15 . 1 1 86 86 VAL CA C 86 55.741 55.741 61.037 -5.296 19431 6182 1 15 . 1 1 86 86 VAL CB C 86 33.129 33.129 34.471 -1.342 19431 6183 1 15 . 1 1 87 87 ILE N N 87 125.124 125.124 130.854 -5.730 19431 6184 1 15 . 1 1 87 87 ILE HA H 87 5.206 5.206 4.372 0.834 19431 6185 1 15 . 1 1 87 87 ILE CA C 87 57.168 57.168 60.898 -3.729 19431 6186 1 15 . 1 1 87 87 ILE CB C 87 36.590 36.590 37.111 -0.520 19431 6187 1 15 . 1 1 88 88 ILE N N 88 128.056 128.056 128.491 -0.435 19431 6188 1 15 . 1 1 88 88 ILE HA H 88 5.146 5.146 4.514 0.632 19431 6189 1 15 . 1 1 88 88 ILE CA C 88 55.356 55.356 59.708 -4.352 19431 6190 1 15 . 1 1 88 88 ILE CB C 88 39.847 39.847 39.016 0.832 19431 6191 1 15 . 1 1 89 89 VAL N N 89 128.326 128.326 130.070 -1.744 19431 6192 1 15 . 1 1 89 89 VAL HA H 89 4.387 4.387 3.945 0.442 19431 6193 1 15 . 1 1 89 89 VAL CA C 89 59.839 59.839 64.087 -4.248 19431 6194 1 15 . 1 1 89 89 VAL CB C 89 30.295 30.295 32.372 -2.077 19431 6195 1 15 . 1 1 90 90 VAL N N 90 128.738 128.738 129.151 -0.413 19431 6196 1 15 . 1 1 90 90 VAL HA H 90 4.207 4.207 4.544 -0.337 19431 6197 1 15 . 1 1 90 90 VAL CA C 90 59.722 59.722 60.709 -0.987 19431 6198 1 15 . 1 1 90 90 VAL CB C 90 31.537 31.537 33.241 -1.704 19431 6199 1 15 . 1 1 91 91 LYS N N 91 126.004 126.004 129.464 -3.460 19431 6200 1 15 . 1 1 91 91 LYS HA H 91 4.629 4.629 4.566 0.063 19431 6201 1 15 . 1 1 91 91 LYS CA C 91 52.972 52.972 55.506 -2.534 19431 6202 1 15 . 1 1 91 91 LYS CB C 91 30.789 30.789 31.810 -1.021 19431 6203 1 15 . 1 1 92 92 TYR N N 92 123.932 123.932 124.972 -1.040 19431 6204 1 15 . 1 1 92 92 TYR HA H 92 4.940 4.940 4.498 0.442 19431 6205 1 15 . 1 1 92 92 TYR CA C 92 53.905 53.905 58.724 -4.819 19431 6206 1 15 . 1 1 92 92 TYR CB C 92 39.331 39.331 39.145 0.186 19431 6207 1 15 . 1 1 93 93 GLU N N 93 122.195 122.195 120.127 2.068 19431 6208 1 15 . 1 1 93 93 GLU HA H 93 3.834 3.834 4.082 -0.248 19431 6209 1 15 . 1 1 93 93 GLU CA C 93 57.465 57.465 59.190 -1.725 19431 6210 1 15 . 1 1 93 93 GLU CB C 93 28.695 28.695 29.934 -1.239 19431 6211 1 15 . 1 1 94 94 GLU N N 94 110.219 110.219 114.973 -4.754 19431 6212 1 15 . 1 1 94 94 GLU HA H 94 4.440 4.440 4.493 -0.053 19431 6213 1 15 . 1 1 94 94 GLU CA C 94 52.555 52.555 56.359 -3.804 19431 6214 1 15 . 1 1 94 94 GLU CB C 94 26.861 26.861 31.346 -4.485 19431 6215 1 15 . 1 1 95 95 GLY N N 95 106.566 106.566 108.402 -1.836 19431 6216 1 15 . 1 1 95 95 GLY CA C 95 42.542 42.542 44.218 -1.676 19431 6217 1 15 . 1 1 96 96 ASN N N 96 116.707 116.707 120.119 -3.412 19431 6218 1 15 . 1 1 96 96 ASN HA H 96 5.720 5.720 5.433 0.287 19431 6219 1 15 . 1 1 96 96 ASN CA C 96 49.003 49.003 53.289 -4.286 19431 6220 1 15 . 1 1 96 96 ASN CB C 96 37.602 37.602 40.523 -2.921 19431 6221 1 15 . 1 1 97 97 VAL N N 97 122.002 122.002 125.524 -3.522 19431 6222 1 15 . 1 1 97 97 VAL HA H 97 4.117 4.117 4.180 -0.063 19431 6223 1 15 . 1 1 97 97 VAL CA C 97 58.404 58.404 60.964 -2.560 19431 6224 1 15 . 1 1 97 97 VAL CB C 97 33.456 33.456 33.223 0.233 19431 6225 1 15 . 1 1 98 98 ASN N N 98 124.376 124.376 125.564 -1.188 19431 6226 1 15 . 1 1 98 98 ASN HA H 98 5.135 5.135 4.795 0.340 19431 6227 1 15 . 1 1 98 98 ASN CA C 98 48.630 48.630 53.090 -4.460 19431 6228 1 15 . 1 1 98 98 ASN CB C 98 36.031 36.031 37.277 -1.246 19431 6229 1 15 . 1 1 99 99 TYR N N 99 123.932 123.932 124.349 -0.417 19431 6230 1 15 . 1 1 99 99 TYR HA H 99 4.640 4.640 4.486 0.154 19431 6231 1 15 . 1 1 99 99 TYR CA C 99 55.468 55.468 58.876 -3.408 19431 6232 1 15 . 1 1 99 99 TYR CB C 99 38.122 38.122 37.302 0.820 19431 6233 1 15 . 1 1 100 100 SER N N 100 115.327 115.327 120.649 -5.322 19431 6234 1 15 . 1 1 100 100 SER HA H 100 5.242 5.242 4.755 0.487 19431 6235 1 15 . 1 1 100 100 SER CA C 100 53.767 53.767 57.858 -4.091 19431 6236 1 15 . 1 1 100 100 SER CB C 100 60.649 60.649 62.504 -1.855 19431 6237 1 15 . 1 1 101 101 LEU N N 101 130.521 130.521 128.814 1.707 19431 6238 1 15 . 1 1 101 101 LEU HA H 101 4.978 4.978 4.979 -0.001 19431 6239 1 15 . 1 1 101 101 LEU CA C 101 51.756 51.756 53.739 -1.983 19431 6240 1 15 . 1 1 101 101 LEU CB C 101 42.765 42.765 43.581 -0.816 19431 6241 1 15 . 1 1 102 102 ALA N N 102 121.373 121.373 125.566 -4.193 19431 6242 1 15 . 1 1 102 102 ALA HA H 102 4.994 4.994 5.270 -0.276 19431 6243 1 15 . 1 1 102 102 ALA CA C 102 48.505 48.505 49.984 -1.479 19431 6244 1 15 . 1 1 102 102 ALA CB C 102 19.355 19.355 22.904 -3.549 19431 6245 1 15 . 1 1 103 103 TYR N N 103 120.633 120.633 118.047 2.586 19431 6246 1 15 . 1 1 103 103 TYR HA H 103 5.311 5.311 5.550 -0.239 19431 6247 1 15 . 1 1 103 103 TYR CA C 103 55.519 55.519 55.834 -0.315 19431 6248 1 15 . 1 1 103 103 TYR CB C 103 42.037 42.037 40.462 1.575 19431 6249 1 15 . 1 1 104 104 ASP N N 104 118.129 118.129 120.330 -2.201 19431 6250 1 15 . 1 1 104 104 ASP HA H 104 5.163 5.163 4.652 0.511 19431 6251 1 15 . 1 1 104 104 ASP CA C 104 49.372 49.372 53.846 -4.474 19431 6252 1 15 . 1 1 104 104 ASP CB C 104 39.054 39.054 43.557 -4.503 19431 6253 1 15 . 1 1 105 105 GLU N N 105 115.031 115.031 119.644 -4.613 19431 6254 1 15 . 1 1 105 105 GLU HA H 105 3.624 3.624 4.234 -0.610 19431 6255 1 15 . 1 1 105 105 GLU CA C 105 55.976 55.976 58.404 -2.429 19431 6256 1 15 . 1 1 105 105 GLU CB C 105 27.111 27.111 29.795 -2.684 19431 6257 1 15 . 1 1 106 106 ASP N N 106 119.038 119.038 119.665 -0.627 19431 6258 1 15 . 1 1 107 107 MET N N 107 111.995 111.995 112.281 -0.286 19431 6259 1 15 . 1 1 107 107 MET HA H 107 4.343 4.343 4.182 0.161 19431 6260 1 15 . 1 1 107 107 MET CA C 107 51.671 51.671 56.025 -4.354 19431 6261 1 15 . 1 1 107 107 MET CB C 107 21.629 21.629 33.758 -12.129 19431 6262 1 15 . 1 1 108 108 ASN N N 108 117.079 117.079 120.404 -3.325 19431 6263 1 15 . 1 1 108 108 ASN HA H 108 5.111 5.111 5.124 -0.013 19431 6264 1 15 . 1 1 108 108 ASN CA C 108 49.519 49.519 53.051 -3.532 19431 6265 1 15 . 1 1 108 108 ASN CB C 108 37.221 37.221 38.672 -1.451 19431 6266 1 15 . 1 1 109 109 LEU N N 109 122.211 122.211 126.616 -4.405 19431 6267 1 15 . 1 1 109 109 LEU HA H 109 4.020 4.020 4.258 -0.238 19431 6268 1 15 . 1 1 109 109 LEU CA C 109 52.898 52.898 55.636 -2.738 19431 6269 1 15 . 1 1 109 109 LEU CB C 109 40.774 40.774 40.485 0.289 19431 6270 1 15 . 1 1 110 110 VAL N N 110 109.806 109.806 128.349 -18.543 19431 6271 1 15 . 1 1 110 110 VAL HA H 110 4.551 4.551 4.133 0.418 19431 6272 1 15 . 1 1 110 110 VAL CA C 110 57.276 57.276 62.764 -5.488 19431 6273 1 15 . 1 1 110 110 VAL CB C 110 30.242 30.242 32.661 -2.419 19431 6274 1 15 . 1 1 111 111 SER N N 111 113.487 113.487 115.362 -1.875 19431 6275 1 15 . 1 1 111 111 SER HA H 111 4.476 4.476 4.686 -0.210 19431 6276 1 15 . 1 1 111 111 SER CA C 111 55.637 55.637 58.381 -2.744 19431 6277 1 15 . 1 1 111 111 SER CB C 111 61.288 61.288 64.156 -2.868 19431 6278 1 15 . 1 1 112 112 PHE N N 112 126.988 126.988 126.727 0.261 19431 6279 1 15 . 1 1 112 112 PHE HA H 112 4.991 4.991 4.954 0.037 19431 6280 1 15 . 1 1 112 112 PHE CA C 112 55.305 55.305 57.342 -2.037 19431 6281 1 15 . 1 1 112 112 PHE CB C 112 40.128 40.128 40.430 -0.302 19431 6282 1 15 . 1 1 113 113 THR N N 113 120.333 120.333 122.043 -1.710 19431 6283 1 15 . 1 1 113 113 THR HA H 113 4.775 4.775 4.583 0.192 19431 6284 1 15 . 1 1 113 113 THR CA C 113 57.888 57.888 60.137 -2.249 19431 6285 1 15 . 1 1 113 113 THR CB C 113 69.193 69.193 71.167 -1.974 19431 6286 1 16 . 1 1 2 2 GLU HA H 2 4.446 4.446 4.676 -0.230 19431 6287 1 16 . 1 1 2 2 GLU CA C 2 53.359 53.359 55.071 -1.712 19431 6288 1 16 . 1 1 2 2 GLU CB C 2 29.108 29.108 31.951 -2.843 19431 6289 1 16 . 1 1 3 3 ILE N N 3 123.144 123.144 120.410 2.734 19431 6290 1 16 . 1 1 3 3 ILE HA H 3 4.358 4.358 5.214 -0.856 19431 6291 1 16 . 1 1 3 3 ILE CA C 3 57.727 57.727 59.756 -2.029 19431 6292 1 16 . 1 1 3 3 ILE CB C 3 35.665 35.665 40.096 -4.431 19431 6293 1 16 . 1 1 4 4 LEU N N 4 127.461 127.461 126.530 0.931 19431 6294 1 16 . 1 1 4 4 LEU HA H 4 4.554 4.554 4.651 -0.097 19431 6295 1 16 . 1 1 4 4 LEU CA C 4 51.011 51.011 53.526 -2.514 19431 6296 1 16 . 1 1 4 4 LEU CB C 4 41.209 41.209 42.704 -1.495 19431 6297 1 16 . 1 1 5 5 LYS N N 5 121.611 121.611 119.812 1.799 19431 6298 1 16 . 1 1 5 5 LYS HA H 5 4.436 4.436 4.236 0.200 19431 6299 1 16 . 1 1 5 5 LYS CA C 5 53.150 53.150 57.220 -4.070 19431 6300 1 16 . 1 1 5 5 LYS CB C 5 29.359 29.359 32.562 -3.203 19431 6301 1 16 . 1 1 6 6 GLU N N 6 115.825 115.825 114.692 1.133 19431 6302 1 16 . 1 1 6 6 GLU HA H 6 4.269 4.269 4.554 -0.285 19431 6303 1 16 . 1 1 6 6 GLU CA C 6 51.331 51.331 54.791 -3.460 19431 6304 1 16 . 1 1 6 6 GLU CB C 6 29.583 29.583 31.104 -1.521 19431 6305 1 16 . 1 1 7 7 LEU N N 7 118.967 118.967 122.047 -3.080 19431 6306 1 16 . 1 1 7 7 LEU HA H 7 4.311 4.311 4.526 -0.215 19431 6307 1 16 . 1 1 7 7 LEU CA C 7 50.182 50.182 52.689 -2.507 19431 6308 1 16 . 1 1 7 7 LEU CB C 7 39.422 39.422 41.378 -1.956 19431 6309 1 16 . 1 1 8 8 PRO HA H 8 4.432 4.432 4.506 -0.074 19431 6310 1 16 . 1 1 8 8 PRO CA C 8 59.119 59.119 62.239 -3.119 19431 6311 1 16 . 1 1 8 8 PRO CB C 8 29.306 29.306 32.572 -3.266 19431 6312 1 16 . 1 1 9 9 GLU N N 9 121.059 121.059 118.618 2.441 19431 6313 1 16 . 1 1 9 9 GLU HA H 9 4.033 4.033 4.090 -0.057 19431 6314 1 16 . 1 1 9 9 GLU CA C 9 55.281 55.281 58.122 -2.841 19431 6315 1 16 . 1 1 9 9 GLU CB C 9 26.864 26.864 29.593 -2.729 19431 6316 1 16 . 1 1 10 10 GLY N N 10 112.279 112.279 112.444 -0.165 19431 6317 1 16 . 1 1 10 10 GLY CA C 10 42.029 42.029 44.292 -2.263 19431 6318 1 16 . 1 1 11 11 PHE N N 11 117.612 117.612 119.519 -1.907 19431 6319 1 16 . 1 1 11 11 PHE HA H 11 4.660 4.660 4.723 -0.063 19431 6320 1 16 . 1 1 11 11 PHE CA C 11 54.280 54.280 56.669 -2.389 19431 6321 1 16 . 1 1 11 11 PHE CB C 11 39.721 39.721 40.775 -1.054 19431 6322 1 16 . 1 1 12 12 ASP N N 12 121.568 121.568 121.935 -0.367 19431 6323 1 16 . 1 1 12 12 ASP HA H 12 4.875 4.875 4.841 0.034 19431 6324 1 16 . 1 1 12 12 ASP CA C 12 49.676 49.676 53.123 -3.447 19431 6325 1 16 . 1 1 12 12 ASP CB C 12 42.307 42.307 42.551 -0.244 19431 6326 1 16 . 1 1 13 13 LYS N N 13 125.770 125.770 125.714 0.056 19431 6327 1 16 . 1 1 13 13 LYS HA H 13 3.294 3.294 3.486 -0.192 19431 6328 1 16 . 1 1 13 13 LYS CA C 13 58.046 58.046 59.155 -1.109 19431 6329 1 16 . 1 1 13 13 LYS CB C 13 30.216 30.216 32.269 -2.053 19431 6330 1 16 . 1 1 14 14 GLU N N 14 118.590 118.590 118.498 0.092 19431 6331 1 16 . 1 1 14 14 GLU HA H 14 4.090 4.090 4.269 -0.179 19431 6332 1 16 . 1 1 14 14 GLU CA C 14 56.364 56.364 59.184 -2.820 19431 6333 1 16 . 1 1 14 14 GLU CB C 14 26.479 26.479 29.746 -3.267 19431 6334 1 16 . 1 1 15 15 THR N N 15 118.372 118.372 118.159 0.213 19431 6335 1 16 . 1 1 15 15 THR HA H 15 3.737 3.737 4.064 -0.327 19431 6336 1 16 . 1 1 15 15 THR CA C 15 63.974 63.974 66.785 -2.811 19431 6337 1 16 . 1 1 15 15 THR CB C 15 65.565 65.565 68.861 -3.295 19431 6338 1 16 . 1 1 16 16 VAL N N 16 121.083 121.083 121.444 -0.361 19431 6339 1 16 . 1 1 16 16 VAL HA H 16 3.329 3.329 4.195 -0.866 19431 6340 1 16 . 1 1 16 16 VAL CA C 16 64.214 64.214 66.202 -1.988 19431 6341 1 16 . 1 1 16 16 VAL CB C 16 29.011 29.011 31.271 -2.260 19431 6342 1 16 . 1 1 17 17 ARG N N 17 119.409 119.409 120.626 -1.217 19431 6343 1 16 . 1 1 17 17 ARG HA H 17 3.737 3.737 3.991 -0.254 19431 6344 1 16 . 1 1 17 17 ARG CA C 17 58.049 58.049 60.045 -1.996 19431 6345 1 16 . 1 1 17 17 ARG CB C 17 27.401 27.401 30.129 -2.728 19431 6346 1 16 . 1 1 18 18 LYS N N 18 116.168 116.168 118.414 -2.246 19431 6347 1 16 . 1 1 18 18 LYS HA H 18 3.800 3.800 3.975 -0.175 19431 6348 1 16 . 1 1 18 18 LYS CA C 18 57.031 57.031 59.399 -2.368 19431 6349 1 16 . 1 1 18 18 LYS CB C 18 29.801 29.801 32.300 -2.499 19431 6350 1 16 . 1 1 19 19 GLN N N 19 120.008 120.008 119.002 1.006 19431 6351 1 16 . 1 1 19 19 GLN HA H 19 3.767 3.767 4.029 -0.262 19431 6352 1 16 . 1 1 19 19 GLN CA C 19 54.492 54.492 58.503 -4.011 19431 6353 1 16 . 1 1 19 19 GLN CB C 19 26.490 26.490 28.265 -1.775 19431 6354 1 16 . 1 1 20 20 ALA N N 20 122.405 122.405 121.402 1.003 19431 6355 1 16 . 1 1 20 20 ALA HA H 20 4.404 4.404 4.343 0.061 19431 6356 1 16 . 1 1 20 20 ALA CA C 20 52.036 52.036 54.632 -2.596 19431 6357 1 16 . 1 1 20 20 ALA CB C 20 16.407 16.407 18.277 -1.870 19431 6358 1 16 . 1 1 21 21 MET N N 21 115.042 115.042 117.957 -2.915 19431 6359 1 16 . 1 1 21 21 MET HA H 21 3.354 3.354 3.645 -0.291 19431 6360 1 16 . 1 1 21 21 MET CA C 21 56.861 56.861 59.349 -2.488 19431 6361 1 16 . 1 1 21 21 MET CB C 21 30.538 30.538 32.235 -1.697 19431 6362 1 16 . 1 1 22 22 GLU N N 22 118.882 118.882 120.355 -1.473 19431 6363 1 16 . 1 1 22 22 GLU HA H 22 3.923 3.923 4.031 -0.108 19431 6364 1 16 . 1 1 22 22 GLU CA C 22 56.675 56.675 59.353 -2.678 19431 6365 1 16 . 1 1 22 22 GLU CB C 22 26.613 26.613 29.565 -2.952 19431 6366 1 16 . 1 1 23 23 ASP N N 23 122.549 122.549 120.056 2.493 19431 6367 1 16 . 1 1 23 23 ASP HA H 23 4.658 4.658 4.480 0.178 19431 6368 1 16 . 1 1 23 23 ASP CA C 23 55.053 55.053 57.672 -2.619 19431 6369 1 16 . 1 1 23 23 ASP CB C 23 37.479 37.479 40.542 -3.063 19431 6370 1 16 . 1 1 24 24 ILE N N 24 123.580 123.580 119.573 4.007 19431 6371 1 16 . 1 1 24 24 ILE HA H 24 3.678 3.678 3.407 0.271 19431 6372 1 16 . 1 1 24 24 ILE CA C 24 63.201 63.201 65.403 -2.202 19431 6373 1 16 . 1 1 24 24 ILE CB C 24 35.138 35.138 37.786 -2.648 19431 6374 1 16 . 1 1 25 25 GLU N N 25 120.591 120.591 119.081 1.510 19431 6375 1 16 . 1 1 25 25 GLU HA H 25 3.885 3.885 3.986 -0.101 19431 6376 1 16 . 1 1 25 25 GLU CA C 25 57.824 57.824 59.001 -1.177 19431 6377 1 16 . 1 1 25 25 GLU CB C 25 25.883 25.883 29.419 -3.535 19431 6378 1 16 . 1 1 26 26 ILE N N 26 121.350 121.350 119.266 2.084 19431 6379 1 16 . 1 1 26 26 ILE HA H 26 3.718 3.718 3.768 -0.050 19431 6380 1 16 . 1 1 26 26 ILE CA C 26 62.881 62.881 62.774 0.107 19431 6381 1 16 . 1 1 26 26 ILE CB C 26 35.324 35.324 36.345 -1.021 19431 6382 1 16 . 1 1 27 27 ALA N N 27 120.204 120.204 121.575 -1.371 19431 6383 1 16 . 1 1 28 28 GLN N N 28 114.627 114.627 118.149 -3.522 19431 6384 1 16 . 1 1 28 28 GLN CB C 28 26.380 26.380 28.847 -2.467 19431 6385 1 16 . 1 1 29 29 SER N N 29 115.031 115.031 112.331 2.700 19431 6386 1 16 . 1 1 29 29 SER HA H 29 4.260 4.260 4.365 -0.105 19431 6387 1 16 . 1 1 29 29 SER CA C 29 57.768 57.768 57.299 0.469 19431 6388 1 16 . 1 1 29 29 SER CB C 29 61.367 61.367 63.086 -1.719 19431 6389 1 16 . 1 1 30 30 LYS N N 30 112.834 112.834 119.246 -6.412 19431 6390 1 16 . 1 1 30 30 LYS HA H 30 4.228 4.228 3.691 0.537 19431 6391 1 16 . 1 1 30 30 LYS CA C 30 56.103 56.103 56.776 -0.673 19431 6392 1 16 . 1 1 30 30 LYS CB C 30 26.478 26.478 28.908 -2.430 19431 6393 1 16 . 1 1 31 31 ASP N N 31 121.067 121.067 121.414 -0.347 19431 6394 1 16 . 1 1 31 31 ASP HA H 31 4.877 4.877 4.295 0.582 19431 6395 1 16 . 1 1 31 31 ASP CA C 31 49.742 49.742 54.404 -4.662 19431 6396 1 16 . 1 1 31 31 ASP CB C 31 38.652 38.652 42.386 -3.734 19431 6397 1 16 . 1 1 32 32 TYR N N 32 126.671 126.671 121.446 5.225 19431 6398 1 16 . 1 1 32 32 TYR HA H 32 3.311 3.311 4.843 -1.532 19431 6399 1 16 . 1 1 32 32 TYR CA C 32 57.951 57.951 59.945 -1.994 19431 6400 1 16 . 1 1 32 32 TYR CB C 32 36.158 36.158 39.022 -2.864 19431 6401 1 16 . 1 1 33 33 GLU N N 33 115.884 115.884 120.519 -4.635 19431 6402 1 16 . 1 1 33 33 GLU HA H 33 3.442 3.442 4.187 -0.745 19431 6403 1 16 . 1 1 33 33 GLU CA C 33 56.757 56.757 59.536 -2.779 19431 6404 1 16 . 1 1 33 33 GLU CB C 33 26.095 26.095 28.861 -2.766 19431 6405 1 16 . 1 1 34 34 SER N N 34 116.060 116.060 114.921 1.139 19431 6406 1 16 . 1 1 34 34 SER HA H 34 4.026 4.026 4.275 -0.249 19431 6407 1 16 . 1 1 34 34 SER CA C 34 58.953 58.953 61.031 -2.078 19431 6408 1 16 . 1 1 34 34 SER CB C 34 59.683 59.683 63.221 -3.538 19431 6409 1 16 . 1 1 35 35 TRP N N 35 123.977 123.977 121.138 2.839 19431 6410 1 16 . 1 1 35 35 TRP CA C 35 57.894 57.894 58.398 -0.504 19431 6411 1 16 . 1 1 35 35 TRP CB C 35 25.531 25.531 29.692 -4.161 19431 6412 1 16 . 1 1 36 36 LYS N N 36 117.633 117.633 120.783 -3.150 19431 6413 1 16 . 1 1 36 36 LYS HA H 36 3.128 3.128 3.810 -0.682 19431 6414 1 16 . 1 1 36 36 LYS CA C 36 55.998 55.998 60.040 -4.042 19431 6415 1 16 . 1 1 36 36 LYS CB C 36 29.304 29.304 32.252 -2.948 19431 6416 1 16 . 1 1 37 37 SER N N 37 109.835 109.835 113.715 -3.880 19431 6417 1 16 . 1 1 37 37 SER HA H 37 3.989 3.989 4.295 -0.306 19431 6418 1 16 . 1 1 37 37 SER CA C 37 57.765 57.765 60.615 -2.850 19431 6419 1 16 . 1 1 37 37 SER CB C 37 60.606 60.606 63.127 -2.521 19431 6420 1 16 . 1 1 38 38 ARG N N 38 119.946 119.946 117.852 2.094 19431 6421 1 16 . 1 1 38 38 ARG HA H 38 4.144 4.144 4.462 -0.318 19431 6422 1 16 . 1 1 38 38 ARG CA C 38 51.208 51.208 55.151 -3.942 19431 6423 1 16 . 1 1 38 38 ARG CB C 38 25.717 25.717 30.621 -4.904 19431 6424 1 16 . 1 1 39 39 PHE N N 39 117.529 117.529 118.584 -1.055 19431 6425 1 16 . 1 1 39 39 PHE HA H 39 4.855 4.855 4.727 0.128 19431 6426 1 16 . 1 1 39 39 PHE CA C 39 54.234 54.234 57.222 -2.988 19431 6427 1 16 . 1 1 39 39 PHE CB C 39 37.547 37.547 40.839 -3.292 19431 6428 1 16 . 1 1 40 40 THR N N 40 113.296 113.296 113.242 0.054 19431 6429 1 16 . 1 1 40 40 THR HA H 40 3.991 3.991 4.323 -0.332 19431 6430 1 16 . 1 1 40 40 THR CA C 40 59.704 59.704 60.876 -1.172 19431 6431 1 16 . 1 1 40 40 THR CB C 40 66.175 66.175 70.233 -4.058 19431 6432 1 16 . 1 1 41 41 LYS N N 41 124.924 124.924 120.649 4.275 19431 6433 1 16 . 1 1 41 41 LYS HA H 41 3.713 3.713 4.029 -0.316 19431 6434 1 16 . 1 1 41 41 LYS CA C 41 57.650 57.650 59.336 -1.686 19431 6435 1 16 . 1 1 41 41 LYS CB C 41 29.363 29.363 31.918 -2.555 19431 6436 1 16 . 1 1 42 42 ASP N N 42 116.255 116.255 119.969 -3.714 19431 6437 1 16 . 1 1 42 42 ASP HA H 42 4.343 4.343 4.481 -0.139 19431 6438 1 16 . 1 1 42 42 ASP CA C 42 53.841 53.841 56.877 -3.036 19431 6439 1 16 . 1 1 42 42 ASP CB C 42 37.703 37.703 40.878 -3.175 19431 6440 1 16 . 1 1 43 43 LEU N N 43 119.134 119.134 120.129 -0.995 19431 6441 1 16 . 1 1 43 43 LEU HA H 43 4.320 4.320 3.931 0.389 19431 6442 1 16 . 1 1 43 43 LEU CA C 43 52.423 52.423 57.528 -5.104 19431 6443 1 16 . 1 1 43 43 LEU CB C 43 40.023 40.023 41.784 -1.761 19431 6444 1 16 . 1 1 44 44 GLN N N 44 119.455 119.455 117.106 2.349 19431 6445 1 16 . 1 1 44 44 GLN HA H 44 3.466 3.466 3.861 -0.395 19431 6446 1 16 . 1 1 44 44 GLN CA C 44 57.437 57.437 58.539 -1.102 19431 6447 1 16 . 1 1 44 44 GLN CB C 44 25.394 25.394 28.765 -3.371 19431 6448 1 16 . 1 1 45 45 SER N N 45 110.605 110.605 111.772 -1.167 19431 6449 1 16 . 1 1 45 45 SER HA H 45 4.211 4.211 4.467 -0.256 19431 6450 1 16 . 1 1 45 45 SER CA C 45 57.621 57.621 59.421 -1.800 19431 6451 1 16 . 1 1 45 45 SER CB C 45 60.094 60.094 64.133 -4.039 19431 6452 1 16 . 1 1 46 46 SER N N 46 115.075 115.075 116.709 -1.634 19431 6453 1 16 . 1 1 46 46 SER HA H 46 4.473 4.473 4.396 0.077 19431 6454 1 16 . 1 1 46 46 SER CA C 46 55.739 55.739 58.754 -3.015 19431 6455 1 16 . 1 1 46 46 SER CB C 46 61.628 61.628 63.763 -2.135 19431 6456 1 16 . 1 1 47 47 LEU N N 47 124.984 124.984 121.682 3.302 19431 6457 1 16 . 1 1 47 47 LEU HA H 47 4.334 4.334 4.014 0.320 19431 6458 1 16 . 1 1 47 47 LEU CA C 47 52.040 52.040 55.505 -3.465 19431 6459 1 16 . 1 1 47 47 LEU CB C 47 39.810 39.810 42.245 -2.435 19431 6460 1 16 . 1 1 48 48 THR N N 48 111.152 111.152 112.328 -1.176 19431 6461 1 16 . 1 1 48 48 THR HA H 48 4.665 4.665 4.459 0.206 19431 6462 1 16 . 1 1 48 48 THR CA C 48 56.718 56.718 60.708 -3.990 19431 6463 1 16 . 1 1 48 48 THR CB C 48 69.103 69.103 70.772 -1.669 19431 6464 1 16 . 1 1 49 49 GLU N N 49 124.552 124.552 125.892 -1.340 19431 6465 1 16 . 1 1 49 49 GLU HA H 49 3.194 3.194 3.460 -0.266 19431 6466 1 16 . 1 1 49 49 GLU CA C 49 56.770 56.770 59.679 -2.909 19431 6467 1 16 . 1 1 49 49 GLU CB C 49 26.148 26.148 29.566 -3.418 19431 6468 1 16 . 1 1 50 50 GLU N N 50 118.615 118.615 118.711 -0.096 19431 6469 1 16 . 1 1 50 50 GLU HA H 50 4.000 4.000 4.195 -0.195 19431 6470 1 16 . 1 1 50 50 GLU CA C 50 57.357 57.357 59.157 -1.800 19431 6471 1 16 . 1 1 50 50 GLU CB C 50 26.511 26.511 29.366 -2.855 19431 6472 1 16 . 1 1 51 51 SER N N 51 116.380 116.380 115.994 0.386 19431 6473 1 16 . 1 1 51 51 SER HA H 51 4.256 4.256 4.351 -0.095 19431 6474 1 16 . 1 1 51 51 SER CA C 51 58.825 58.825 61.833 -3.008 19431 6475 1 16 . 1 1 51 51 SER CB C 51 59.884 59.884 63.450 -3.566 19431 6476 1 16 . 1 1 52 52 TYR N N 52 125.611 125.611 116.780 8.831 19431 6477 1 16 . 1 1 52 52 TYR CB C 52 36.647 36.647 37.388 -0.741 19431 6478 1 16 . 1 1 53 53 ASP N N 53 119.653 119.653 122.490 -2.837 19431 6479 1 16 . 1 1 53 53 ASP HA H 53 4.115 4.115 4.588 -0.473 19431 6480 1 16 . 1 1 53 53 ASP CA C 53 54.553 54.553 56.703 -2.150 19431 6481 1 16 . 1 1 53 53 ASP CB C 53 37.477 37.477 41.974 -4.497 19431 6482 1 16 . 1 1 54 54 SER N N 54 114.883 114.883 116.202 -1.319 19431 6483 1 16 . 1 1 54 54 SER HA H 54 3.946 3.946 4.190 -0.244 19431 6484 1 16 . 1 1 54 54 SER CA C 54 59.741 59.741 61.471 -1.730 19431 6485 1 16 . 1 1 54 54 SER CB C 54 59.750 59.750 63.366 -3.616 19431 6486 1 16 . 1 1 55 55 TYR N N 55 123.933 123.933 122.058 1.875 19431 6487 1 16 . 1 1 55 55 TYR HA H 55 4.361 4.361 4.224 0.137 19431 6488 1 16 . 1 1 55 55 TYR CA C 55 57.213 57.213 61.365 -4.152 19431 6489 1 16 . 1 1 55 55 TYR CB C 55 34.024 34.024 38.346 -4.322 19431 6490 1 16 . 1 1 56 56 LEU N N 56 119.758 119.758 118.917 0.841 19431 6491 1 16 . 1 1 56 56 LEU HA H 56 3.252 3.252 3.526 -0.274 19431 6492 1 16 . 1 1 56 56 LEU CA C 56 54.681 54.681 57.292 -2.611 19431 6493 1 16 . 1 1 56 56 LEU CB C 56 38.151 38.151 41.281 -3.130 19431 6494 1 16 . 1 1 57 57 LYS N N 57 118.487 118.487 119.676 -1.189 19431 6495 1 16 . 1 1 57 57 LYS HA H 57 3.852 3.852 3.936 -0.084 19431 6496 1 16 . 1 1 57 57 LYS CA C 57 56.090 56.090 59.254 -3.164 19431 6497 1 16 . 1 1 57 57 LYS CB C 57 29.683 29.683 31.735 -2.051 19431 6498 1 16 . 1 1 58 58 ILE N N 58 120.887 120.887 118.563 2.324 19431 6499 1 16 . 1 1 58 58 ILE HA H 58 3.591 3.591 3.674 -0.083 19431 6500 1 16 . 1 1 58 58 ILE CA C 58 61.366 61.366 64.713 -3.347 19431 6501 1 16 . 1 1 58 58 ILE CB C 58 35.144 35.144 37.913 -2.769 19431 6502 1 16 . 1 1 59 59 LEU N N 59 122.273 122.273 121.409 0.864 19431 6503 1 16 . 1 1 59 59 LEU HA H 59 3.437 3.437 3.613 -0.176 19431 6504 1 16 . 1 1 59 59 LEU CA C 59 54.847 54.847 58.206 -3.359 19431 6505 1 16 . 1 1 59 59 LEU CB C 59 39.071 39.071 41.518 -2.447 19431 6506 1 16 . 1 1 60 60 GLU N N 60 118.591 118.591 115.279 3.312 19431 6507 1 16 . 1 1 60 60 GLU HA H 60 3.810 3.810 4.064 -0.254 19431 6508 1 16 . 1 1 60 60 GLU CA C 60 56.156 56.156 58.061 -1.905 19431 6509 1 16 . 1 1 60 60 GLU CB C 60 26.820 26.820 29.767 -2.947 19431 6510 1 16 . 1 1 61 61 LYS N N 61 115.698 115.698 114.402 1.296 19431 6511 1 16 . 1 1 61 61 LYS HA H 61 4.029 4.029 4.515 -0.486 19431 6512 1 16 . 1 1 61 61 LYS CA C 61 54.164 54.164 56.200 -2.036 19431 6513 1 16 . 1 1 61 61 LYS CB C 61 29.581 29.581 32.413 -2.832 19431 6514 1 16 . 1 1 62 62 GLN N N 62 114.863 114.863 118.706 -3.843 19431 6515 1 16 . 1 1 62 62 GLN HA H 62 3.851 3.851 4.352 -0.501 19431 6516 1 16 . 1 1 62 62 GLN CA C 62 52.258 52.258 55.303 -3.045 19431 6517 1 16 . 1 1 62 62 GLN CB C 62 25.186 25.186 29.761 -4.575 19431 6518 1 16 . 1 1 63 63 GLY N N 63 101.724 101.724 107.682 -5.958 19431 6519 1 16 . 1 1 63 63 GLY CA C 63 41.815 41.815 44.656 -2.841 19431 6520 1 16 . 1 1 64 64 GLU N N 64 118.731 118.731 119.422 -0.691 19431 6521 1 16 . 1 1 64 64 GLU HA H 64 4.137 4.137 4.816 -0.678 19431 6522 1 16 . 1 1 64 64 GLU CA C 64 54.598 54.598 54.865 -0.267 19431 6523 1 16 . 1 1 64 64 GLU CB C 64 28.312 28.312 31.675 -3.363 19431 6524 1 16 . 1 1 65 65 PHE N N 65 123.366 123.366 122.735 0.631 19431 6525 1 16 . 1 1 65 65 PHE HA H 65 3.825 3.825 3.711 0.114 19431 6526 1 16 . 1 1 65 65 PHE CA C 65 57.419 57.419 58.936 -1.517 19431 6527 1 16 . 1 1 65 65 PHE CB C 65 36.666 36.666 38.950 -2.284 19431 6528 1 16 . 1 1 66 66 LYS N N 66 125.336 125.336 125.613 -0.277 19431 6529 1 16 . 1 1 66 66 LYS HA H 66 4.168 4.168 4.049 0.119 19431 6530 1 16 . 1 1 66 66 LYS CA C 66 53.226 53.226 55.907 -2.681 19431 6531 1 16 . 1 1 66 66 LYS CB C 66 30.293 30.293 34.284 -3.991 19431 6532 1 16 . 1 1 67 67 GLU N N 67 112.076 112.076 117.325 -5.249 19431 6533 1 16 . 1 1 67 67 GLU HA H 67 4.069 4.069 3.953 0.116 19431 6534 1 16 . 1 1 67 67 GLU CA C 67 52.907 52.907 56.106 -3.199 19431 6535 1 16 . 1 1 67 67 GLU CB C 67 29.378 29.378 31.600 -2.222 19431 6536 1 16 . 1 1 68 68 PHE N N 68 118.706 118.706 120.496 -1.790 19431 6537 1 16 . 1 1 68 68 PHE CB C 68 38.408 38.408 40.357 -1.949 19431 6538 1 16 . 1 1 69 69 GLY N N 69 112.889 112.889 109.036 3.853 19431 6539 1 16 . 1 1 69 69 GLY CA C 69 41.353 41.353 44.414 -3.061 19431 6540 1 16 . 1 1 70 70 LYS N N 70 122.409 122.409 119.927 2.482 19431 6541 1 16 . 1 1 70 70 LYS HA H 70 4.085 4.085 4.408 -0.323 19431 6542 1 16 . 1 1 70 70 LYS CA C 70 54.418 54.418 56.701 -2.283 19431 6543 1 16 . 1 1 70 70 LYS CB C 70 31.197 31.197 33.829 -2.632 19431 6544 1 16 . 1 1 71 71 CYS N N 71 118.509 118.509 121.348 -2.839 19431 6545 1 16 . 1 1 71 71 CYS HA H 71 5.332 5.332 5.745 -0.413 19431 6546 1 16 . 1 1 71 71 CYS CA C 71 54.655 54.655 56.676 -2.021 19431 6547 1 16 . 1 1 71 71 CYS CB C 71 28.223 28.223 29.917 -1.694 19431 6548 1 16 . 1 1 72 72 THR N N 72 120.129 120.129 122.969 -2.840 19431 6549 1 16 . 1 1 72 72 THR HA H 72 4.272 4.272 4.596 -0.324 19431 6550 1 16 . 1 1 72 72 THR CA C 72 58.652 58.652 61.186 -2.534 19431 6551 1 16 . 1 1 72 72 THR CB C 72 68.199 68.199 71.177 -2.978 19431 6552 1 16 . 1 1 73 73 TYR N N 73 122.772 122.772 125.656 -2.884 19431 6553 1 16 . 1 1 73 73 TYR HA H 73 5.034 5.034 4.750 0.284 19431 6554 1 16 . 1 1 73 73 TYR CA C 73 55.497 55.497 57.617 -2.120 19431 6555 1 16 . 1 1 73 73 TYR CB C 73 38.271 38.271 39.776 -1.505 19431 6556 1 16 . 1 1 74 74 LEU N N 74 117.980 117.980 120.143 -2.163 19431 6557 1 16 . 1 1 74 74 LEU HA H 74 4.466 4.466 4.669 -0.203 19431 6558 1 16 . 1 1 74 74 LEU CA C 74 51.805 51.805 53.163 -1.358 19431 6559 1 16 . 1 1 74 74 LEU CB C 74 42.030 42.030 44.210 -2.180 19431 6560 1 16 . 1 1 75 75 GLY N N 75 105.257 105.257 108.391 -3.134 19431 6561 1 16 . 1 1 75 75 GLY CA C 75 42.799 42.799 45.117 -2.318 19431 6562 1 16 . 1 1 76 76 GLN N N 76 119.071 119.071 125.005 -5.934 19431 6563 1 16 . 1 1 76 76 GLN HA H 76 4.938 4.938 4.918 0.020 19431 6564 1 16 . 1 1 76 76 GLN CA C 76 52.495 52.495 53.885 -1.390 19431 6565 1 16 . 1 1 76 76 GLN CB C 76 30.498 30.498 31.886 -1.388 19431 6566 1 16 . 1 1 77 77 ILE N N 77 123.550 123.550 126.206 -2.656 19431 6567 1 16 . 1 1 77 77 ILE HA H 77 4.992 4.992 4.897 0.095 19431 6568 1 16 . 1 1 77 77 ILE CA C 77 57.239 57.239 60.315 -3.076 19431 6569 1 16 . 1 1 77 77 ILE CB C 77 36.664 36.664 38.163 -1.499 19431 6570 1 16 . 1 1 78 78 LYS N N 78 127.532 127.532 128.898 -1.366 19431 6571 1 16 . 1 1 78 78 LYS HA H 78 4.585 4.585 4.206 0.379 19431 6572 1 16 . 1 1 78 78 LYS CA C 78 52.768 52.768 58.803 -6.035 19431 6573 1 16 . 1 1 78 78 LYS CB C 78 32.536 32.536 33.542 -1.006 19431 6574 1 16 . 1 1 79 79 ASP N N 79 128.019 128.019 115.378 12.641 19431 6575 1 16 . 1 1 79 79 ASP HA H 79 4.168 4.168 4.698 -0.530 19431 6576 1 16 . 1 1 79 79 ASP CA C 79 53.258 53.258 55.114 -1.856 19431 6577 1 16 . 1 1 79 79 ASP CB C 79 36.826 36.826 41.628 -4.802 19431 6578 1 16 . 1 1 80 80 ASN N N 80 110.608 110.608 116.375 -5.767 19431 6579 1 16 . 1 1 80 80 ASN HA H 80 4.168 4.168 4.807 -0.639 19431 6580 1 16 . 1 1 80 80 ASN CA C 80 51.912 51.912 53.183 -1.271 19431 6581 1 16 . 1 1 80 80 ASN CB C 80 35.506 35.506 39.808 -4.302 19431 6582 1 16 . 1 1 81 81 LYS N N 81 121.116 121.116 120.577 0.539 19431 6583 1 16 . 1 1 81 81 LYS HA H 81 4.482 4.482 4.465 0.017 19431 6584 1 16 . 1 1 81 81 LYS CA C 81 52.353 52.353 54.458 -2.105 19431 6585 1 16 . 1 1 81 81 LYS CB C 81 32.119 32.119 33.808 -1.689 19431 6586 1 16 . 1 1 82 82 LYS N N 82 119.259 119.259 122.402 -3.143 19431 6587 1 16 . 1 1 82 82 LYS HA H 82 4.765 4.765 5.070 -0.305 19431 6588 1 16 . 1 1 82 82 LYS CA C 82 52.722 52.722 55.506 -2.784 19431 6589 1 16 . 1 1 82 82 LYS CB C 82 32.934 32.934 35.081 -2.147 19431 6590 1 16 . 1 1 83 83 TYR N N 83 118.176 118.176 120.715 -2.539 19431 6591 1 16 . 1 1 83 83 TYR HA H 83 5.275 5.275 5.112 0.163 19431 6592 1 16 . 1 1 83 83 TYR CA C 83 53.383 53.383 56.600 -3.217 19431 6593 1 16 . 1 1 83 83 TYR CB C 83 38.026 38.026 43.088 -5.062 19431 6594 1 16 . 1 1 84 84 GLY N N 84 111.686 111.686 109.043 2.643 19431 6595 1 16 . 1 1 84 84 GLY CA C 84 41.219 41.219 43.164 -1.945 19431 6596 1 16 . 1 1 85 85 GLY N N 85 111.232 111.232 110.739 0.493 19431 6597 1 16 . 1 1 85 85 GLY CA C 85 42.272 42.272 42.945 -0.673 19431 6598 1 16 . 1 1 86 86 VAL N N 86 115.256 115.256 122.426 -7.170 19431 6599 1 16 . 1 1 86 86 VAL HA H 86 5.127 5.127 4.347 0.780 19431 6600 1 16 . 1 1 86 86 VAL CA C 86 55.741 55.741 60.595 -4.854 19431 6601 1 16 . 1 1 86 86 VAL CB C 86 33.129 33.129 33.789 -0.660 19431 6602 1 16 . 1 1 87 87 ILE N N 87 125.124 125.124 131.138 -6.014 19431 6603 1 16 . 1 1 87 87 ILE HA H 87 5.206 5.206 4.468 0.738 19431 6604 1 16 . 1 1 87 87 ILE CA C 87 57.168 57.168 60.845 -3.677 19431 6605 1 16 . 1 1 87 87 ILE CB C 87 36.590 36.590 37.009 -0.419 19431 6606 1 16 . 1 1 88 88 ILE N N 88 128.056 128.056 128.241 -0.185 19431 6607 1 16 . 1 1 88 88 ILE HA H 88 5.146 5.146 4.745 0.401 19431 6608 1 16 . 1 1 88 88 ILE CA C 88 55.356 55.356 59.225 -3.869 19431 6609 1 16 . 1 1 88 88 ILE CB C 88 39.847 39.847 40.430 -0.583 19431 6610 1 16 . 1 1 89 89 VAL N N 89 128.326 128.326 129.721 -1.395 19431 6611 1 16 . 1 1 89 89 VAL HA H 89 4.387 4.387 4.478 -0.091 19431 6612 1 16 . 1 1 89 89 VAL CA C 89 59.839 59.839 63.544 -3.705 19431 6613 1 16 . 1 1 89 89 VAL CB C 89 30.295 30.295 32.729 -2.434 19431 6614 1 16 . 1 1 90 90 VAL N N 90 128.738 128.738 127.326 1.412 19431 6615 1 16 . 1 1 90 90 VAL HA H 90 4.207 4.207 4.823 -0.616 19431 6616 1 16 . 1 1 90 90 VAL CA C 90 59.722 59.722 60.929 -1.208 19431 6617 1 16 . 1 1 90 90 VAL CB C 90 31.537 31.537 35.467 -3.930 19431 6618 1 16 . 1 1 91 91 LYS N N 91 126.004 126.004 130.232 -4.228 19431 6619 1 16 . 1 1 91 91 LYS HA H 91 4.629 4.629 4.585 0.044 19431 6620 1 16 . 1 1 91 91 LYS CA C 91 52.972 52.972 55.681 -2.709 19431 6621 1 16 . 1 1 91 91 LYS CB C 91 30.789 30.789 31.695 -0.906 19431 6622 1 16 . 1 1 92 92 TYR N N 92 123.932 123.932 124.663 -0.731 19431 6623 1 16 . 1 1 92 92 TYR HA H 92 4.940 4.940 4.508 0.432 19431 6624 1 16 . 1 1 92 92 TYR CA C 92 53.905 53.905 58.212 -4.307 19431 6625 1 16 . 1 1 92 92 TYR CB C 92 39.331 39.331 39.482 -0.151 19431 6626 1 16 . 1 1 93 93 GLU N N 93 122.195 122.195 119.430 2.765 19431 6627 1 16 . 1 1 93 93 GLU HA H 93 3.834 3.834 4.066 -0.232 19431 6628 1 16 . 1 1 93 93 GLU CA C 93 57.465 57.465 58.919 -1.454 19431 6629 1 16 . 1 1 93 93 GLU CB C 93 28.695 28.695 29.942 -1.246 19431 6630 1 16 . 1 1 94 94 GLU N N 94 110.219 110.219 115.470 -5.251 19431 6631 1 16 . 1 1 94 94 GLU HA H 94 4.440 4.440 4.534 -0.094 19431 6632 1 16 . 1 1 94 94 GLU CA C 94 52.555 52.555 56.528 -3.973 19431 6633 1 16 . 1 1 94 94 GLU CB C 94 26.861 26.861 32.767 -5.906 19431 6634 1 16 . 1 1 95 95 GLY N N 95 106.566 106.566 108.755 -2.189 19431 6635 1 16 . 1 1 95 95 GLY CA C 95 42.542 42.542 44.015 -1.473 19431 6636 1 16 . 1 1 96 96 ASN N N 96 116.707 116.707 120.202 -3.495 19431 6637 1 16 . 1 1 96 96 ASN HA H 96 5.720 5.720 5.857 -0.137 19431 6638 1 16 . 1 1 96 96 ASN CA C 96 49.003 49.003 53.277 -4.274 19431 6639 1 16 . 1 1 96 96 ASN CB C 96 37.602 37.602 40.422 -2.820 19431 6640 1 16 . 1 1 97 97 VAL N N 97 122.002 122.002 123.899 -1.897 19431 6641 1 16 . 1 1 97 97 VAL HA H 97 4.117 4.117 4.181 -0.064 19431 6642 1 16 . 1 1 97 97 VAL CA C 97 58.404 58.404 61.257 -2.853 19431 6643 1 16 . 1 1 97 97 VAL CB C 97 33.456 33.456 32.815 0.641 19431 6644 1 16 . 1 1 98 98 ASN N N 98 124.376 124.376 126.373 -1.997 19431 6645 1 16 . 1 1 98 98 ASN HA H 98 5.135 5.135 5.057 0.078 19431 6646 1 16 . 1 1 98 98 ASN CA C 98 48.630 48.630 52.353 -3.723 19431 6647 1 16 . 1 1 98 98 ASN CB C 98 36.031 36.031 38.631 -2.600 19431 6648 1 16 . 1 1 99 99 TYR N N 99 123.932 123.932 123.462 0.470 19431 6649 1 16 . 1 1 99 99 TYR HA H 99 4.640 4.640 4.485 0.155 19431 6650 1 16 . 1 1 99 99 TYR CA C 99 55.468 55.468 58.877 -3.409 19431 6651 1 16 . 1 1 99 99 TYR CB C 99 38.122 38.122 37.829 0.293 19431 6652 1 16 . 1 1 100 100 SER N N 100 115.327 115.327 121.004 -5.677 19431 6653 1 16 . 1 1 100 100 SER HA H 100 5.242 5.242 4.494 0.748 19431 6654 1 16 . 1 1 100 100 SER CA C 100 53.767 53.767 58.511 -4.744 19431 6655 1 16 . 1 1 100 100 SER CB C 100 60.649 60.649 62.049 -1.400 19431 6656 1 16 . 1 1 101 101 LEU N N 101 130.521 130.521 125.434 5.087 19431 6657 1 16 . 1 1 101 101 LEU HA H 101 4.978 4.978 4.468 0.510 19431 6658 1 16 . 1 1 101 101 LEU CA C 101 51.756 51.756 54.795 -3.039 19431 6659 1 16 . 1 1 101 101 LEU CB C 101 42.765 42.765 43.042 -0.278 19431 6660 1 16 . 1 1 102 102 ALA N N 102 121.373 121.373 124.421 -3.048 19431 6661 1 16 . 1 1 102 102 ALA HA H 102 4.994 4.994 5.179 -0.185 19431 6662 1 16 . 1 1 102 102 ALA CA C 102 48.505 48.505 50.599 -2.094 19431 6663 1 16 . 1 1 102 102 ALA CB C 102 19.355 19.355 22.747 -3.392 19431 6664 1 16 . 1 1 103 103 TYR N N 103 120.633 120.633 118.292 2.341 19431 6665 1 16 . 1 1 103 103 TYR HA H 103 5.311 5.311 5.503 -0.192 19431 6666 1 16 . 1 1 103 103 TYR CA C 103 55.519 55.519 55.640 -0.121 19431 6667 1 16 . 1 1 103 103 TYR CB C 103 42.037 42.037 40.137 1.900 19431 6668 1 16 . 1 1 104 104 ASP N N 104 118.129 118.129 119.892 -1.763 19431 6669 1 16 . 1 1 104 104 ASP HA H 104 5.163 5.163 4.875 0.288 19431 6670 1 16 . 1 1 104 104 ASP CA C 104 49.372 49.372 52.803 -3.431 19431 6671 1 16 . 1 1 104 104 ASP CB C 104 39.054 39.054 43.180 -4.126 19431 6672 1 16 . 1 1 105 105 GLU N N 105 115.031 115.031 118.767 -3.736 19431 6673 1 16 . 1 1 105 105 GLU HA H 105 3.624 3.624 4.173 -0.549 19431 6674 1 16 . 1 1 105 105 GLU CA C 105 55.976 55.976 59.011 -3.035 19431 6675 1 16 . 1 1 105 105 GLU CB C 105 27.111 27.111 29.710 -2.599 19431 6676 1 16 . 1 1 106 106 ASP N N 106 119.038 119.038 119.165 -0.127 19431 6677 1 16 . 1 1 107 107 MET N N 107 111.995 111.995 111.391 0.604 19431 6678 1 16 . 1 1 107 107 MET HA H 107 4.343 4.343 4.138 0.205 19431 6679 1 16 . 1 1 107 107 MET CA C 107 51.671 51.671 55.809 -4.138 19431 6680 1 16 . 1 1 107 107 MET CB C 107 21.629 21.629 34.277 -12.648 19431 6681 1 16 . 1 1 108 108 ASN N N 108 117.079 117.079 120.616 -3.537 19431 6682 1 16 . 1 1 108 108 ASN HA H 108 5.111 5.111 4.815 0.296 19431 6683 1 16 . 1 1 108 108 ASN CA C 108 49.519 49.519 53.139 -3.620 19431 6684 1 16 . 1 1 108 108 ASN CB C 108 37.221 37.221 39.101 -1.880 19431 6685 1 16 . 1 1 109 109 LEU N N 109 122.211 122.211 126.104 -3.893 19431 6686 1 16 . 1 1 109 109 LEU HA H 109 4.020 4.020 4.202 -0.182 19431 6687 1 16 . 1 1 109 109 LEU CA C 109 52.898 52.898 55.904 -3.006 19431 6688 1 16 . 1 1 109 109 LEU CB C 109 40.774 40.774 40.350 0.424 19431 6689 1 16 . 1 1 110 110 VAL N N 110 109.806 109.806 127.557 -17.751 19431 6690 1 16 . 1 1 110 110 VAL HA H 110 4.551 4.551 4.188 0.363 19431 6691 1 16 . 1 1 110 110 VAL CA C 110 57.276 57.276 61.837 -4.561 19431 6692 1 16 . 1 1 110 110 VAL CB C 110 30.242 30.242 32.698 -2.456 19431 6693 1 16 . 1 1 111 111 SER N N 111 113.487 113.487 114.359 -0.872 19431 6694 1 16 . 1 1 111 111 SER HA H 111 4.476 4.476 4.759 -0.283 19431 6695 1 16 . 1 1 111 111 SER CA C 111 55.637 55.637 57.971 -2.334 19431 6696 1 16 . 1 1 111 111 SER CB C 111 61.288 61.288 65.160 -3.872 19431 6697 1 16 . 1 1 112 112 PHE N N 112 126.988 126.988 125.425 1.563 19431 6698 1 16 . 1 1 112 112 PHE HA H 112 4.991 4.991 5.043 -0.052 19431 6699 1 16 . 1 1 112 112 PHE CA C 112 55.305 55.305 56.912 -1.607 19431 6700 1 16 . 1 1 112 112 PHE CB C 112 40.128 40.128 41.993 -1.865 19431 6701 1 16 . 1 1 113 113 THR N N 113 120.333 120.333 122.113 -1.780 19431 6702 1 16 . 1 1 113 113 THR HA H 113 4.775 4.775 4.080 0.695 19431 6703 1 16 . 1 1 113 113 THR CA C 113 57.888 57.888 61.042 -3.154 19431 6704 1 16 . 1 1 113 113 THR CB C 113 69.193 69.193 71.046 -1.853 19431 6705 1 17 . 1 1 2 2 GLU HA H 2 4.446 4.446 4.613 -0.167 19431 6706 1 17 . 1 1 2 2 GLU CA C 2 53.359 53.359 54.425 -1.065 19431 6707 1 17 . 1 1 2 2 GLU CB C 2 29.108 29.108 31.851 -2.743 19431 6708 1 17 . 1 1 3 3 ILE N N 3 123.144 123.144 121.473 1.671 19431 6709 1 17 . 1 1 3 3 ILE HA H 3 4.358 4.358 4.368 -0.010 19431 6710 1 17 . 1 1 3 3 ILE CA C 3 57.727 57.727 59.228 -1.501 19431 6711 1 17 . 1 1 3 3 ILE CB C 3 35.665 35.665 36.291 -0.626 19431 6712 1 17 . 1 1 4 4 LEU N N 4 127.461 127.461 128.008 -0.547 19431 6713 1 17 . 1 1 4 4 LEU HA H 4 4.554 4.554 4.357 0.197 19431 6714 1 17 . 1 1 4 4 LEU CA C 4 51.011 51.011 55.447 -4.436 19431 6715 1 17 . 1 1 4 4 LEU CB C 4 41.209 41.209 42.522 -1.313 19431 6716 1 17 . 1 1 5 5 LYS N N 5 121.611 121.611 119.635 1.976 19431 6717 1 17 . 1 1 5 5 LYS HA H 5 4.436 4.436 4.285 0.151 19431 6718 1 17 . 1 1 5 5 LYS CA C 5 53.150 53.150 56.594 -3.444 19431 6719 1 17 . 1 1 5 5 LYS CB C 5 29.359 29.359 31.798 -2.439 19431 6720 1 17 . 1 1 6 6 GLU N N 6 115.825 115.825 114.287 1.538 19431 6721 1 17 . 1 1 6 6 GLU HA H 6 4.269 4.269 4.502 -0.233 19431 6722 1 17 . 1 1 6 6 GLU CA C 6 51.331 51.331 55.265 -3.934 19431 6723 1 17 . 1 1 6 6 GLU CB C 6 29.583 29.583 30.959 -1.376 19431 6724 1 17 . 1 1 7 7 LEU N N 7 118.967 118.967 122.050 -3.083 19431 6725 1 17 . 1 1 7 7 LEU HA H 7 4.311 4.311 4.750 -0.439 19431 6726 1 17 . 1 1 7 7 LEU CA C 7 50.182 50.182 52.602 -2.420 19431 6727 1 17 . 1 1 7 7 LEU CB C 7 39.422 39.422 41.392 -1.970 19431 6728 1 17 . 1 1 8 8 PRO HA H 8 4.432 4.432 4.560 -0.128 19431 6729 1 17 . 1 1 8 8 PRO CA C 8 59.119 59.119 62.075 -2.956 19431 6730 1 17 . 1 1 8 8 PRO CB C 8 29.306 29.306 32.625 -3.319 19431 6731 1 17 . 1 1 9 9 GLU N N 9 121.059 121.059 118.142 2.917 19431 6732 1 17 . 1 1 9 9 GLU HA H 9 4.033 4.033 4.181 -0.148 19431 6733 1 17 . 1 1 9 9 GLU CA C 9 55.281 55.281 57.866 -2.585 19431 6734 1 17 . 1 1 9 9 GLU CB C 9 26.864 26.864 29.564 -2.700 19431 6735 1 17 . 1 1 10 10 GLY N N 10 112.279 112.279 110.830 1.449 19431 6736 1 17 . 1 1 10 10 GLY CA C 10 42.029 42.029 44.459 -2.430 19431 6737 1 17 . 1 1 11 11 PHE N N 11 117.612 117.612 118.281 -0.669 19431 6738 1 17 . 1 1 11 11 PHE HA H 11 4.660 4.660 4.759 -0.099 19431 6739 1 17 . 1 1 11 11 PHE CA C 11 54.280 54.280 56.425 -2.146 19431 6740 1 17 . 1 1 11 11 PHE CB C 11 39.721 39.721 41.273 -1.552 19431 6741 1 17 . 1 1 12 12 ASP N N 12 121.568 121.568 120.494 1.074 19431 6742 1 17 . 1 1 12 12 ASP HA H 12 4.875 4.875 4.757 0.118 19431 6743 1 17 . 1 1 12 12 ASP CA C 12 49.676 49.676 53.008 -3.332 19431 6744 1 17 . 1 1 12 12 ASP CB C 12 42.307 42.307 43.295 -0.989 19431 6745 1 17 . 1 1 13 13 LYS N N 13 125.770 125.770 124.826 0.944 19431 6746 1 17 . 1 1 13 13 LYS HA H 13 3.294 3.294 3.292 0.002 19431 6747 1 17 . 1 1 13 13 LYS CA C 13 58.046 58.046 60.210 -2.164 19431 6748 1 17 . 1 1 13 13 LYS CB C 13 30.216 30.216 32.315 -2.099 19431 6749 1 17 . 1 1 14 14 GLU N N 14 118.590 118.590 118.114 0.476 19431 6750 1 17 . 1 1 14 14 GLU HA H 14 4.090 4.090 4.164 -0.074 19431 6751 1 17 . 1 1 14 14 GLU CA C 14 56.364 56.364 59.343 -2.979 19431 6752 1 17 . 1 1 14 14 GLU CB C 14 26.479 26.479 29.806 -3.327 19431 6753 1 17 . 1 1 15 15 THR N N 15 118.372 118.372 118.561 -0.189 19431 6754 1 17 . 1 1 15 15 THR HA H 15 3.737 3.737 4.032 -0.295 19431 6755 1 17 . 1 1 15 15 THR CA C 15 63.974 63.974 66.940 -2.966 19431 6756 1 17 . 1 1 15 15 THR CB C 15 65.565 65.565 68.853 -3.288 19431 6757 1 17 . 1 1 16 16 VAL N N 16 121.083 121.083 122.194 -1.111 19431 6758 1 17 . 1 1 16 16 VAL HA H 16 3.329 3.329 3.977 -0.648 19431 6759 1 17 . 1 1 16 16 VAL CA C 16 64.214 64.214 66.425 -2.211 19431 6760 1 17 . 1 1 16 16 VAL CB C 16 29.011 29.011 31.884 -2.873 19431 6761 1 17 . 1 1 17 17 ARG N N 17 119.409 119.409 119.986 -0.577 19431 6762 1 17 . 1 1 17 17 ARG HA H 17 3.737 3.737 3.914 -0.177 19431 6763 1 17 . 1 1 17 17 ARG CA C 17 58.049 58.049 59.916 -1.867 19431 6764 1 17 . 1 1 17 17 ARG CB C 17 27.401 27.401 30.098 -2.697 19431 6765 1 17 . 1 1 18 18 LYS N N 18 116.168 116.168 119.457 -3.289 19431 6766 1 17 . 1 1 18 18 LYS HA H 18 3.800 3.800 4.034 -0.234 19431 6767 1 17 . 1 1 18 18 LYS CA C 18 57.031 57.031 59.160 -2.129 19431 6768 1 17 . 1 1 18 18 LYS CB C 18 29.801 29.801 32.465 -2.664 19431 6769 1 17 . 1 1 19 19 GLN N N 19 120.008 120.008 118.922 1.086 19431 6770 1 17 . 1 1 19 19 GLN HA H 19 3.767 3.767 4.326 -0.559 19431 6771 1 17 . 1 1 19 19 GLN CA C 19 54.492 54.492 55.549 -1.057 19431 6772 1 17 . 1 1 19 19 GLN CB C 19 26.490 26.490 26.733 -0.243 19431 6773 1 17 . 1 1 20 20 ALA N N 20 122.405 122.405 122.521 -0.116 19431 6774 1 17 . 1 1 20 20 ALA HA H 20 4.404 4.404 4.426 -0.022 19431 6775 1 17 . 1 1 20 20 ALA CA C 20 52.036 52.036 53.878 -1.842 19431 6776 1 17 . 1 1 20 20 ALA CB C 20 16.407 16.407 19.227 -2.820 19431 6777 1 17 . 1 1 21 21 MET N N 21 115.042 115.042 119.969 -4.927 19431 6778 1 17 . 1 1 21 21 MET HA H 21 3.354 3.354 3.382 -0.028 19431 6779 1 17 . 1 1 21 21 MET CA C 21 56.861 56.861 60.562 -3.701 19431 6780 1 17 . 1 1 21 21 MET CB C 21 30.538 30.538 32.440 -1.901 19431 6781 1 17 . 1 1 22 22 GLU N N 22 118.882 118.882 119.352 -0.470 19431 6782 1 17 . 1 1 22 22 GLU HA H 22 3.923 3.923 4.171 -0.248 19431 6783 1 17 . 1 1 22 22 GLU CA C 22 56.675 56.675 59.488 -2.813 19431 6784 1 17 . 1 1 22 22 GLU CB C 22 26.613 26.613 29.443 -2.830 19431 6785 1 17 . 1 1 23 23 ASP N N 23 122.549 122.549 119.615 2.934 19431 6786 1 17 . 1 1 23 23 ASP HA H 23 4.658 4.658 4.658 -0.000 19431 6787 1 17 . 1 1 23 23 ASP CA C 23 55.053 55.053 57.444 -2.391 19431 6788 1 17 . 1 1 23 23 ASP CB C 23 37.479 37.479 40.758 -3.279 19431 6789 1 17 . 1 1 24 24 ILE N N 24 123.580 123.580 120.100 3.480 19431 6790 1 17 . 1 1 24 24 ILE HA H 24 3.678 3.678 3.458 0.220 19431 6791 1 17 . 1 1 24 24 ILE CA C 24 63.201 63.201 65.758 -2.558 19431 6792 1 17 . 1 1 24 24 ILE CB C 24 35.138 35.138 37.685 -2.547 19431 6793 1 17 . 1 1 25 25 GLU N N 25 120.591 120.591 119.692 0.899 19431 6794 1 17 . 1 1 25 25 GLU HA H 25 3.885 3.885 3.957 -0.072 19431 6795 1 17 . 1 1 25 25 GLU CA C 25 57.824 57.824 59.522 -1.698 19431 6796 1 17 . 1 1 25 25 GLU CB C 25 25.883 25.883 29.514 -3.631 19431 6797 1 17 . 1 1 26 26 ILE N N 26 121.350 121.350 119.788 1.562 19431 6798 1 17 . 1 1 26 26 ILE HA H 26 3.718 3.718 3.804 -0.086 19431 6799 1 17 . 1 1 26 26 ILE CA C 26 62.881 62.881 65.025 -2.144 19431 6800 1 17 . 1 1 26 26 ILE CB C 26 35.324 35.324 37.699 -2.375 19431 6801 1 17 . 1 1 27 27 ALA N N 27 120.204 120.204 122.793 -2.589 19431 6802 1 17 . 1 1 28 28 GLN N N 28 114.627 114.627 118.073 -3.446 19431 6803 1 17 . 1 1 28 28 GLN CB C 28 26.380 26.380 28.871 -2.491 19431 6804 1 17 . 1 1 29 29 SER N N 29 115.031 115.031 113.250 1.781 19431 6805 1 17 . 1 1 29 29 SER HA H 29 4.260 4.260 4.440 -0.180 19431 6806 1 17 . 1 1 29 29 SER CA C 29 57.768 57.768 58.582 -0.814 19431 6807 1 17 . 1 1 29 29 SER CB C 29 61.367 61.367 63.213 -1.846 19431 6808 1 17 . 1 1 30 30 LYS N N 30 112.834 112.834 119.900 -7.066 19431 6809 1 17 . 1 1 30 30 LYS HA H 30 4.228 4.228 3.868 0.360 19431 6810 1 17 . 1 1 30 30 LYS CA C 30 56.103 56.103 57.331 -1.228 19431 6811 1 17 . 1 1 30 30 LYS CB C 30 26.478 26.478 30.802 -4.324 19431 6812 1 17 . 1 1 31 31 ASP N N 31 121.067 121.067 117.860 3.207 19431 6813 1 17 . 1 1 31 31 ASP HA H 31 4.877 4.877 4.407 0.470 19431 6814 1 17 . 1 1 31 31 ASP CA C 31 49.742 49.742 54.144 -4.402 19431 6815 1 17 . 1 1 31 31 ASP CB C 31 38.652 38.652 41.909 -3.257 19431 6816 1 17 . 1 1 32 32 TYR N N 32 126.671 126.671 121.713 4.958 19431 6817 1 17 . 1 1 32 32 TYR HA H 32 3.311 3.311 4.657 -1.346 19431 6818 1 17 . 1 1 32 32 TYR CA C 32 57.951 57.951 59.905 -1.954 19431 6819 1 17 . 1 1 32 32 TYR CB C 32 36.158 36.158 38.694 -2.535 19431 6820 1 17 . 1 1 33 33 GLU N N 33 115.884 115.884 118.669 -2.785 19431 6821 1 17 . 1 1 33 33 GLU HA H 33 3.442 3.442 4.181 -0.739 19431 6822 1 17 . 1 1 33 33 GLU CA C 33 56.757 56.757 58.147 -1.390 19431 6823 1 17 . 1 1 33 33 GLU CB C 33 26.095 26.095 28.649 -2.554 19431 6824 1 17 . 1 1 34 34 SER N N 34 116.060 116.060 113.627 2.433 19431 6825 1 17 . 1 1 34 34 SER HA H 34 4.026 4.026 4.559 -0.533 19431 6826 1 17 . 1 1 34 34 SER CA C 34 58.953 58.953 59.349 -0.396 19431 6827 1 17 . 1 1 34 34 SER CB C 34 59.683 59.683 64.133 -4.450 19431 6828 1 17 . 1 1 35 35 TRP N N 35 123.977 123.977 123.771 0.206 19431 6829 1 17 . 1 1 35 35 TRP CA C 35 57.894 57.894 58.296 -0.402 19431 6830 1 17 . 1 1 35 35 TRP CB C 35 25.531 25.531 30.841 -5.310 19431 6831 1 17 . 1 1 36 36 LYS N N 36 117.633 117.633 121.001 -3.368 19431 6832 1 17 . 1 1 36 36 LYS HA H 36 3.128 3.128 3.662 -0.534 19431 6833 1 17 . 1 1 36 36 LYS CA C 36 55.998 55.998 58.921 -2.923 19431 6834 1 17 . 1 1 36 36 LYS CB C 36 29.304 29.304 31.250 -1.946 19431 6835 1 17 . 1 1 37 37 SER N N 37 109.835 109.835 116.151 -6.316 19431 6836 1 17 . 1 1 37 37 SER HA H 37 3.989 3.989 4.203 -0.214 19431 6837 1 17 . 1 1 37 37 SER CA C 37 57.765 57.765 60.842 -3.077 19431 6838 1 17 . 1 1 37 37 SER CB C 37 60.606 60.606 62.850 -2.244 19431 6839 1 17 . 1 1 38 38 ARG N N 38 119.946 119.946 118.093 1.853 19431 6840 1 17 . 1 1 38 38 ARG HA H 38 4.144 4.144 4.337 -0.193 19431 6841 1 17 . 1 1 38 38 ARG CA C 38 51.208 51.208 55.709 -4.501 19431 6842 1 17 . 1 1 38 38 ARG CB C 38 25.717 25.717 30.108 -4.391 19431 6843 1 17 . 1 1 39 39 PHE N N 39 117.529 117.529 118.042 -0.513 19431 6844 1 17 . 1 1 39 39 PHE HA H 39 4.855 4.855 4.649 0.206 19431 6845 1 17 . 1 1 39 39 PHE CA C 39 54.234 54.234 57.916 -3.682 19431 6846 1 17 . 1 1 39 39 PHE CB C 39 37.547 37.547 40.338 -2.791 19431 6847 1 17 . 1 1 40 40 THR N N 40 113.296 113.296 113.515 -0.219 19431 6848 1 17 . 1 1 40 40 THR HA H 40 3.991 3.991 4.395 -0.404 19431 6849 1 17 . 1 1 40 40 THR CA C 40 59.704 59.704 61.399 -1.695 19431 6850 1 17 . 1 1 40 40 THR CB C 40 66.175 66.175 70.171 -3.996 19431 6851 1 17 . 1 1 41 41 LYS N N 41 124.924 124.924 119.592 5.332 19431 6852 1 17 . 1 1 41 41 LYS HA H 41 3.713 3.713 4.090 -0.377 19431 6853 1 17 . 1 1 41 41 LYS CA C 41 57.650 57.650 59.375 -1.725 19431 6854 1 17 . 1 1 41 41 LYS CB C 41 29.363 29.363 32.358 -2.995 19431 6855 1 17 . 1 1 42 42 ASP N N 42 116.255 116.255 119.966 -3.711 19431 6856 1 17 . 1 1 42 42 ASP HA H 42 4.343 4.343 4.495 -0.152 19431 6857 1 17 . 1 1 42 42 ASP CA C 42 53.841 53.841 56.551 -2.710 19431 6858 1 17 . 1 1 42 42 ASP CB C 42 37.703 37.703 40.772 -3.069 19431 6859 1 17 . 1 1 43 43 LEU N N 43 119.134 119.134 118.217 0.917 19431 6860 1 17 . 1 1 43 43 LEU HA H 43 4.320 4.320 4.642 -0.322 19431 6861 1 17 . 1 1 43 43 LEU CA C 43 52.423 52.423 55.112 -2.689 19431 6862 1 17 . 1 1 43 43 LEU CB C 43 40.023 40.023 41.330 -1.307 19431 6863 1 17 . 1 1 44 44 GLN N N 44 119.455 119.455 115.794 3.661 19431 6864 1 17 . 1 1 44 44 GLN HA H 44 3.466 3.466 4.162 -0.696 19431 6865 1 17 . 1 1 44 44 GLN CA C 44 57.437 57.437 56.753 0.684 19431 6866 1 17 . 1 1 44 44 GLN CB C 44 25.394 25.394 29.995 -4.601 19431 6867 1 17 . 1 1 45 45 SER N N 45 110.605 110.605 113.695 -3.090 19431 6868 1 17 . 1 1 45 45 SER HA H 45 4.211 4.211 4.599 -0.388 19431 6869 1 17 . 1 1 45 45 SER CA C 45 57.621 57.621 58.665 -1.044 19431 6870 1 17 . 1 1 45 45 SER CB C 45 60.094 60.094 64.096 -4.002 19431 6871 1 17 . 1 1 46 46 SER N N 46 115.075 115.075 116.120 -1.045 19431 6872 1 17 . 1 1 46 46 SER HA H 46 4.473 4.473 4.499 -0.026 19431 6873 1 17 . 1 1 46 46 SER CA C 46 55.739 55.739 58.291 -2.552 19431 6874 1 17 . 1 1 46 46 SER CB C 46 61.628 61.628 64.041 -2.413 19431 6875 1 17 . 1 1 47 47 LEU N N 47 124.984 124.984 124.514 0.470 19431 6876 1 17 . 1 1 47 47 LEU HA H 47 4.334 4.334 4.198 0.136 19431 6877 1 17 . 1 1 47 47 LEU CA C 47 52.040 52.040 55.936 -3.896 19431 6878 1 17 . 1 1 47 47 LEU CB C 47 39.810 39.810 41.194 -1.384 19431 6879 1 17 . 1 1 48 48 THR N N 48 111.152 111.152 112.158 -1.006 19431 6880 1 17 . 1 1 48 48 THR HA H 48 4.665 4.665 4.528 0.137 19431 6881 1 17 . 1 1 48 48 THR CA C 48 56.718 56.718 60.334 -3.616 19431 6882 1 17 . 1 1 48 48 THR CB C 48 69.103 69.103 71.353 -2.250 19431 6883 1 17 . 1 1 49 49 GLU N N 49 124.552 124.552 123.639 0.913 19431 6884 1 17 . 1 1 49 49 GLU HA H 49 3.194 3.194 3.725 -0.531 19431 6885 1 17 . 1 1 49 49 GLU CA C 49 56.770 56.770 59.975 -3.205 19431 6886 1 17 . 1 1 49 49 GLU CB C 49 26.148 26.148 29.154 -3.006 19431 6887 1 17 . 1 1 50 50 GLU N N 50 118.615 118.615 118.992 -0.377 19431 6888 1 17 . 1 1 50 50 GLU HA H 50 4.000 4.000 3.844 0.156 19431 6889 1 17 . 1 1 50 50 GLU CA C 50 57.357 57.357 59.468 -2.111 19431 6890 1 17 . 1 1 50 50 GLU CB C 50 26.511 26.511 29.179 -2.668 19431 6891 1 17 . 1 1 51 51 SER N N 51 116.380 116.380 113.974 2.406 19431 6892 1 17 . 1 1 51 51 SER HA H 51 4.256 4.256 4.315 -0.059 19431 6893 1 17 . 1 1 51 51 SER CA C 51 58.825 58.825 60.883 -2.058 19431 6894 1 17 . 1 1 51 51 SER CB C 51 59.884 59.884 62.876 -2.992 19431 6895 1 17 . 1 1 52 52 TYR N N 52 125.611 125.611 116.989 8.622 19431 6896 1 17 . 1 1 52 52 TYR CB C 52 36.647 36.647 38.313 -1.666 19431 6897 1 17 . 1 1 53 53 ASP N N 53 119.653 119.653 122.109 -2.456 19431 6898 1 17 . 1 1 53 53 ASP HA H 53 4.115 4.115 4.310 -0.195 19431 6899 1 17 . 1 1 53 53 ASP CA C 53 54.553 54.553 57.660 -3.107 19431 6900 1 17 . 1 1 53 53 ASP CB C 53 37.477 37.477 40.760 -3.283 19431 6901 1 17 . 1 1 54 54 SER N N 54 114.883 114.883 114.741 0.142 19431 6902 1 17 . 1 1 54 54 SER HA H 54 3.946 3.946 4.484 -0.538 19431 6903 1 17 . 1 1 54 54 SER CA C 54 59.741 59.741 59.155 0.586 19431 6904 1 17 . 1 1 54 54 SER CB C 54 59.750 59.750 62.288 -2.538 19431 6905 1 17 . 1 1 55 55 TYR N N 55 123.933 123.933 119.326 4.607 19431 6906 1 17 . 1 1 55 55 TYR HA H 55 4.361 4.361 4.631 -0.270 19431 6907 1 17 . 1 1 55 55 TYR CA C 55 57.213 57.213 60.155 -2.942 19431 6908 1 17 . 1 1 55 55 TYR CB C 55 34.024 34.024 39.621 -5.597 19431 6909 1 17 . 1 1 56 56 LEU N N 56 119.758 119.758 122.111 -2.353 19431 6910 1 17 . 1 1 56 56 LEU HA H 56 3.252 3.252 3.862 -0.610 19431 6911 1 17 . 1 1 56 56 LEU CA C 56 54.681 54.681 58.755 -4.074 19431 6912 1 17 . 1 1 56 56 LEU CB C 56 38.151 38.151 42.081 -3.930 19431 6913 1 17 . 1 1 57 57 LYS N N 57 118.487 118.487 117.161 1.326 19431 6914 1 17 . 1 1 57 57 LYS HA H 57 3.852 3.852 4.349 -0.497 19431 6915 1 17 . 1 1 57 57 LYS CA C 57 56.090 56.090 58.204 -2.114 19431 6916 1 17 . 1 1 57 57 LYS CB C 57 29.683 29.683 31.954 -2.271 19431 6917 1 17 . 1 1 58 58 ILE N N 58 120.887 120.887 117.750 3.137 19431 6918 1 17 . 1 1 58 58 ILE HA H 58 3.591 3.591 3.984 -0.393 19431 6919 1 17 . 1 1 58 58 ILE CA C 58 61.366 61.366 62.710 -1.344 19431 6920 1 17 . 1 1 58 58 ILE CB C 58 35.144 35.144 38.178 -3.034 19431 6921 1 17 . 1 1 59 59 LEU N N 59 122.273 122.273 121.171 1.102 19431 6922 1 17 . 1 1 59 59 LEU HA H 59 3.437 3.437 3.600 -0.163 19431 6923 1 17 . 1 1 59 59 LEU CA C 59 54.847 54.847 58.081 -3.233 19431 6924 1 17 . 1 1 59 59 LEU CB C 59 39.071 39.071 41.550 -2.478 19431 6925 1 17 . 1 1 60 60 GLU N N 60 118.591 118.591 116.504 2.087 19431 6926 1 17 . 1 1 60 60 GLU HA H 60 3.810 3.810 4.001 -0.191 19431 6927 1 17 . 1 1 60 60 GLU CA C 60 56.156 56.156 58.560 -2.404 19431 6928 1 17 . 1 1 60 60 GLU CB C 60 26.820 26.820 29.467 -2.647 19431 6929 1 17 . 1 1 61 61 LYS N N 61 115.698 115.698 115.884 -0.186 19431 6930 1 17 . 1 1 61 61 LYS HA H 61 4.029 4.029 4.426 -0.397 19431 6931 1 17 . 1 1 61 61 LYS CA C 61 54.164 54.164 55.834 -1.670 19431 6932 1 17 . 1 1 61 61 LYS CB C 61 29.581 29.581 32.104 -2.523 19431 6933 1 17 . 1 1 62 62 GLN N N 62 114.863 114.863 118.588 -3.725 19431 6934 1 17 . 1 1 62 62 GLN HA H 62 3.851 3.851 4.417 -0.566 19431 6935 1 17 . 1 1 62 62 GLN CA C 62 52.258 52.258 55.052 -2.794 19431 6936 1 17 . 1 1 62 62 GLN CB C 62 25.186 25.186 28.981 -3.795 19431 6937 1 17 . 1 1 63 63 GLY N N 63 101.724 101.724 108.106 -6.382 19431 6938 1 17 . 1 1 63 63 GLY CA C 63 41.815 41.815 45.420 -3.605 19431 6939 1 17 . 1 1 64 64 GLU N N 64 118.731 118.731 120.438 -1.707 19431 6940 1 17 . 1 1 64 64 GLU HA H 64 4.137 4.137 4.799 -0.662 19431 6941 1 17 . 1 1 64 64 GLU CA C 64 54.598 54.598 53.720 0.878 19431 6942 1 17 . 1 1 64 64 GLU CB C 64 28.312 28.312 32.744 -4.432 19431 6943 1 17 . 1 1 65 65 PHE N N 65 123.366 123.366 123.707 -0.341 19431 6944 1 17 . 1 1 65 65 PHE HA H 65 3.825 3.825 3.909 -0.084 19431 6945 1 17 . 1 1 65 65 PHE CA C 65 57.419 57.419 59.387 -1.968 19431 6946 1 17 . 1 1 65 65 PHE CB C 65 36.666 36.666 39.332 -2.666 19431 6947 1 17 . 1 1 66 66 LYS N N 66 125.336 125.336 126.411 -1.075 19431 6948 1 17 . 1 1 66 66 LYS HA H 66 4.168 4.168 4.012 0.156 19431 6949 1 17 . 1 1 66 66 LYS CA C 66 53.226 53.226 56.026 -2.800 19431 6950 1 17 . 1 1 66 66 LYS CB C 66 30.293 30.293 34.009 -3.716 19431 6951 1 17 . 1 1 67 67 GLU N N 67 112.076 112.076 117.677 -5.601 19431 6952 1 17 . 1 1 67 67 GLU HA H 67 4.069 4.069 3.949 0.120 19431 6953 1 17 . 1 1 67 67 GLU CA C 67 52.907 52.907 56.076 -3.169 19431 6954 1 17 . 1 1 67 67 GLU CB C 67 29.378 29.378 31.883 -2.505 19431 6955 1 17 . 1 1 68 68 PHE N N 68 118.706 118.706 121.852 -3.146 19431 6956 1 17 . 1 1 68 68 PHE CB C 68 38.408 38.408 39.390 -0.982 19431 6957 1 17 . 1 1 69 69 GLY N N 69 112.889 112.889 110.639 2.250 19431 6958 1 17 . 1 1 69 69 GLY CA C 69 41.353 41.353 43.669 -2.316 19431 6959 1 17 . 1 1 70 70 LYS N N 70 122.409 122.409 119.506 2.903 19431 6960 1 17 . 1 1 70 70 LYS HA H 70 4.085 4.085 4.232 -0.147 19431 6961 1 17 . 1 1 70 70 LYS CA C 70 54.418 54.418 57.287 -2.869 19431 6962 1 17 . 1 1 70 70 LYS CB C 70 31.197 31.197 33.436 -2.239 19431 6963 1 17 . 1 1 71 71 CYS N N 71 118.509 118.509 122.714 -4.205 19431 6964 1 17 . 1 1 71 71 CYS HA H 71 5.332 5.332 5.392 -0.060 19431 6965 1 17 . 1 1 71 71 CYS CA C 71 54.655 54.655 56.754 -2.099 19431 6966 1 17 . 1 1 71 71 CYS CB C 71 28.223 28.223 28.473 -0.250 19431 6967 1 17 . 1 1 72 72 THR N N 72 120.129 120.129 122.372 -2.243 19431 6968 1 17 . 1 1 72 72 THR HA H 72 4.272 4.272 4.401 -0.129 19431 6969 1 17 . 1 1 72 72 THR CA C 72 58.652 58.652 62.054 -3.402 19431 6970 1 17 . 1 1 72 72 THR CB C 72 68.199 68.199 69.793 -1.594 19431 6971 1 17 . 1 1 73 73 TYR N N 73 122.772 122.772 125.888 -3.116 19431 6972 1 17 . 1 1 73 73 TYR HA H 73 5.034 5.034 4.889 0.145 19431 6973 1 17 . 1 1 73 73 TYR CA C 73 55.497 55.497 57.849 -2.352 19431 6974 1 17 . 1 1 73 73 TYR CB C 73 38.271 38.271 39.703 -1.432 19431 6975 1 17 . 1 1 74 74 LEU N N 74 117.980 117.980 120.075 -2.095 19431 6976 1 17 . 1 1 74 74 LEU HA H 74 4.466 4.466 4.911 -0.445 19431 6977 1 17 . 1 1 74 74 LEU CA C 74 51.805 51.805 53.731 -1.926 19431 6978 1 17 . 1 1 74 74 LEU CB C 74 42.030 42.030 46.498 -4.468 19431 6979 1 17 . 1 1 75 75 GLY N N 75 105.257 105.257 106.777 -1.520 19431 6980 1 17 . 1 1 75 75 GLY CA C 75 42.799 42.799 44.077 -1.278 19431 6981 1 17 . 1 1 76 76 GLN N N 76 119.071 119.071 116.063 3.008 19431 6982 1 17 . 1 1 76 76 GLN HA H 76 4.938 4.938 5.084 -0.146 19431 6983 1 17 . 1 1 76 76 GLN CA C 76 52.495 52.495 54.882 -2.387 19431 6984 1 17 . 1 1 76 76 GLN CB C 76 30.498 30.498 32.907 -2.409 19431 6985 1 17 . 1 1 77 77 ILE N N 77 123.550 123.550 122.083 1.467 19431 6986 1 17 . 1 1 77 77 ILE HA H 77 4.992 4.992 5.134 -0.142 19431 6987 1 17 . 1 1 77 77 ILE CA C 77 57.239 57.239 60.233 -2.994 19431 6988 1 17 . 1 1 77 77 ILE CB C 77 36.664 36.664 40.142 -3.478 19431 6989 1 17 . 1 1 78 78 LYS N N 78 127.532 127.532 127.856 -0.324 19431 6990 1 17 . 1 1 78 78 LYS HA H 78 4.585 4.585 4.160 0.425 19431 6991 1 17 . 1 1 78 78 LYS CA C 78 52.768 52.768 60.292 -7.524 19431 6992 1 17 . 1 1 78 78 LYS CB C 78 32.536 32.536 32.873 -0.337 19431 6993 1 17 . 1 1 79 79 ASP N N 79 128.019 128.019 116.553 11.466 19431 6994 1 17 . 1 1 79 79 ASP HA H 79 4.168 4.168 4.688 -0.520 19431 6995 1 17 . 1 1 79 79 ASP CA C 79 53.258 53.258 55.975 -2.717 19431 6996 1 17 . 1 1 79 79 ASP CB C 79 36.826 36.826 42.104 -5.278 19431 6997 1 17 . 1 1 80 80 ASN N N 80 110.608 110.608 115.370 -4.762 19431 6998 1 17 . 1 1 80 80 ASN HA H 80 4.168 4.168 4.770 -0.602 19431 6999 1 17 . 1 1 80 80 ASN CA C 80 51.912 51.912 53.186 -1.274 19431 7000 1 17 . 1 1 80 80 ASN CB C 80 35.506 35.506 39.892 -4.386 19431 7001 1 17 . 1 1 81 81 LYS N N 81 121.116 121.116 120.780 0.336 19431 7002 1 17 . 1 1 81 81 LYS HA H 81 4.482 4.482 4.481 0.001 19431 7003 1 17 . 1 1 81 81 LYS CA C 81 52.353 52.353 54.395 -2.042 19431 7004 1 17 . 1 1 81 81 LYS CB C 81 32.119 32.119 33.807 -1.688 19431 7005 1 17 . 1 1 82 82 LYS N N 82 119.259 119.259 123.102 -3.843 19431 7006 1 17 . 1 1 82 82 LYS HA H 82 4.765 4.765 5.169 -0.404 19431 7007 1 17 . 1 1 82 82 LYS CA C 82 52.722 52.722 55.397 -2.675 19431 7008 1 17 . 1 1 82 82 LYS CB C 82 32.934 32.934 34.832 -1.898 19431 7009 1 17 . 1 1 83 83 TYR N N 83 118.176 118.176 119.438 -1.262 19431 7010 1 17 . 1 1 83 83 TYR HA H 83 5.275 5.275 4.928 0.347 19431 7011 1 17 . 1 1 83 83 TYR CA C 83 53.383 53.383 56.984 -3.601 19431 7012 1 17 . 1 1 83 83 TYR CB C 83 38.026 38.026 43.465 -5.439 19431 7013 1 17 . 1 1 84 84 GLY N N 84 111.686 111.686 107.188 4.498 19431 7014 1 17 . 1 1 84 84 GLY CA C 84 41.219 41.219 42.794 -1.575 19431 7015 1 17 . 1 1 85 85 GLY N N 85 111.232 111.232 107.226 4.006 19431 7016 1 17 . 1 1 85 85 GLY CA C 85 42.272 42.272 43.421 -1.149 19431 7017 1 17 . 1 1 86 86 VAL N N 86 115.256 115.256 120.633 -5.377 19431 7018 1 17 . 1 1 86 86 VAL HA H 86 5.127 5.127 4.891 0.236 19431 7019 1 17 . 1 1 86 86 VAL CA C 86 55.741 55.741 60.392 -4.651 19431 7020 1 17 . 1 1 86 86 VAL CB C 86 33.129 33.129 34.772 -1.643 19431 7021 1 17 . 1 1 87 87 ILE N N 87 125.124 125.124 130.201 -5.077 19431 7022 1 17 . 1 1 87 87 ILE HA H 87 5.206 5.206 4.360 0.846 19431 7023 1 17 . 1 1 87 87 ILE CA C 87 57.168 57.168 60.735 -3.567 19431 7024 1 17 . 1 1 87 87 ILE CB C 87 36.590 36.590 37.360 -0.770 19431 7025 1 17 . 1 1 88 88 ILE N N 88 128.056 128.056 129.156 -1.100 19431 7026 1 17 . 1 1 88 88 ILE HA H 88 5.146 5.146 4.592 0.554 19431 7027 1 17 . 1 1 88 88 ILE CA C 88 55.356 55.356 59.533 -4.177 19431 7028 1 17 . 1 1 88 88 ILE CB C 88 39.847 39.847 39.202 0.645 19431 7029 1 17 . 1 1 89 89 VAL N N 89 128.326 128.326 130.805 -2.479 19431 7030 1 17 . 1 1 89 89 VAL HA H 89 4.387 4.387 3.989 0.398 19431 7031 1 17 . 1 1 89 89 VAL CA C 89 59.839 59.839 64.263 -4.425 19431 7032 1 17 . 1 1 89 89 VAL CB C 89 30.295 30.295 32.132 -1.837 19431 7033 1 17 . 1 1 90 90 VAL N N 90 128.738 128.738 128.784 -0.046 19431 7034 1 17 . 1 1 90 90 VAL HA H 90 4.207 4.207 4.504 -0.297 19431 7035 1 17 . 1 1 90 90 VAL CA C 90 59.722 59.722 61.119 -1.397 19431 7036 1 17 . 1 1 90 90 VAL CB C 90 31.537 31.537 33.003 -1.466 19431 7037 1 17 . 1 1 91 91 LYS N N 91 126.004 126.004 129.168 -3.164 19431 7038 1 17 . 1 1 91 91 LYS HA H 91 4.629 4.629 4.456 0.173 19431 7039 1 17 . 1 1 91 91 LYS CA C 91 52.972 52.972 55.703 -2.731 19431 7040 1 17 . 1 1 91 91 LYS CB C 91 30.789 30.789 31.436 -0.647 19431 7041 1 17 . 1 1 92 92 TYR N N 92 123.932 123.932 123.856 0.076 19431 7042 1 17 . 1 1 92 92 TYR HA H 92 4.940 4.940 4.683 0.257 19431 7043 1 17 . 1 1 92 92 TYR CA C 92 53.905 53.905 58.509 -4.604 19431 7044 1 17 . 1 1 92 92 TYR CB C 92 39.331 39.331 39.382 -0.051 19431 7045 1 17 . 1 1 93 93 GLU N N 93 122.195 122.195 121.263 0.932 19431 7046 1 17 . 1 1 93 93 GLU HA H 93 3.834 3.834 4.067 -0.233 19431 7047 1 17 . 1 1 93 93 GLU CA C 93 57.465 57.465 59.065 -1.600 19431 7048 1 17 . 1 1 93 93 GLU CB C 93 28.695 28.695 30.103 -1.408 19431 7049 1 17 . 1 1 94 94 GLU N N 94 110.219 110.219 115.491 -5.272 19431 7050 1 17 . 1 1 94 94 GLU HA H 94 4.440 4.440 4.631 -0.191 19431 7051 1 17 . 1 1 94 94 GLU CA C 94 52.555 52.555 55.816 -3.261 19431 7052 1 17 . 1 1 94 94 GLU CB C 94 26.861 26.861 31.488 -4.627 19431 7053 1 17 . 1 1 95 95 GLY N N 95 106.566 106.566 107.812 -1.246 19431 7054 1 17 . 1 1 95 95 GLY CA C 95 42.542 42.542 45.586 -3.044 19431 7055 1 17 . 1 1 96 96 ASN N N 96 116.707 116.707 122.543 -5.836 19431 7056 1 17 . 1 1 96 96 ASN HA H 96 5.720 5.720 5.612 0.108 19431 7057 1 17 . 1 1 96 96 ASN CA C 96 49.003 49.003 52.584 -3.581 19431 7058 1 17 . 1 1 96 96 ASN CB C 96 37.602 37.602 39.680 -2.078 19431 7059 1 17 . 1 1 97 97 VAL N N 97 122.002 122.002 125.255 -3.253 19431 7060 1 17 . 1 1 97 97 VAL HA H 97 4.117 4.117 4.015 0.102 19431 7061 1 17 . 1 1 97 97 VAL CA C 97 58.404 58.404 61.029 -2.625 19431 7062 1 17 . 1 1 97 97 VAL CB C 97 33.456 33.456 30.556 2.900 19431 7063 1 17 . 1 1 98 98 ASN N N 98 124.376 124.376 126.273 -1.897 19431 7064 1 17 . 1 1 98 98 ASN HA H 98 5.135 5.135 4.754 0.381 19431 7065 1 17 . 1 1 98 98 ASN CA C 98 48.630 48.630 52.594 -3.964 19431 7066 1 17 . 1 1 98 98 ASN CB C 98 36.031 36.031 37.811 -1.780 19431 7067 1 17 . 1 1 99 99 TYR N N 99 123.932 123.932 124.980 -1.048 19431 7068 1 17 . 1 1 99 99 TYR HA H 99 4.640 4.640 4.561 0.079 19431 7069 1 17 . 1 1 99 99 TYR CA C 99 55.468 55.468 57.929 -2.461 19431 7070 1 17 . 1 1 99 99 TYR CB C 99 38.122 38.122 36.833 1.289 19431 7071 1 17 . 1 1 100 100 SER N N 100 115.327 115.327 120.458 -5.131 19431 7072 1 17 . 1 1 100 100 SER HA H 100 5.242 5.242 4.555 0.687 19431 7073 1 17 . 1 1 100 100 SER CA C 100 53.767 53.767 58.554 -4.787 19431 7074 1 17 . 1 1 100 100 SER CB C 100 60.649 60.649 62.450 -1.801 19431 7075 1 17 . 1 1 101 101 LEU N N 101 130.521 130.521 128.695 1.826 19431 7076 1 17 . 1 1 101 101 LEU HA H 101 4.978 4.978 4.778 0.200 19431 7077 1 17 . 1 1 101 101 LEU CA C 101 51.756 51.756 53.663 -1.907 19431 7078 1 17 . 1 1 101 101 LEU CB C 101 42.765 42.765 43.071 -0.306 19431 7079 1 17 . 1 1 102 102 ALA N N 102 121.373 121.373 125.966 -4.593 19431 7080 1 17 . 1 1 102 102 ALA HA H 102 4.994 4.994 5.179 -0.185 19431 7081 1 17 . 1 1 102 102 ALA CA C 102 48.505 48.505 50.076 -1.571 19431 7082 1 17 . 1 1 102 102 ALA CB C 102 19.355 19.355 22.710 -3.355 19431 7083 1 17 . 1 1 103 103 TYR N N 103 120.633 120.633 119.068 1.565 19431 7084 1 17 . 1 1 103 103 TYR HA H 103 5.311 5.311 5.373 -0.062 19431 7085 1 17 . 1 1 103 103 TYR CA C 103 55.519 55.519 54.433 1.086 19431 7086 1 17 . 1 1 103 103 TYR CB C 103 42.037 42.037 39.636 2.401 19431 7087 1 17 . 1 1 104 104 ASP N N 104 118.129 118.129 119.726 -1.597 19431 7088 1 17 . 1 1 104 104 ASP HA H 104 5.163 5.163 4.852 0.311 19431 7089 1 17 . 1 1 104 104 ASP CA C 104 49.372 49.372 52.156 -2.784 19431 7090 1 17 . 1 1 104 104 ASP CB C 104 39.054 39.054 43.693 -4.638 19431 7091 1 17 . 1 1 105 105 GLU N N 105 115.031 115.031 118.854 -3.823 19431 7092 1 17 . 1 1 105 105 GLU HA H 105 3.624 3.624 4.181 -0.557 19431 7093 1 17 . 1 1 105 105 GLU CA C 105 55.976 55.976 58.457 -2.481 19431 7094 1 17 . 1 1 105 105 GLU CB C 105 27.111 27.111 29.690 -2.579 19431 7095 1 17 . 1 1 106 106 ASP N N 106 119.038 119.038 117.895 1.143 19431 7096 1 17 . 1 1 107 107 MET N N 107 111.995 111.995 116.345 -4.350 19431 7097 1 17 . 1 1 107 107 MET HA H 107 4.343 4.343 3.737 0.606 19431 7098 1 17 . 1 1 107 107 MET CA C 107 51.671 51.671 55.402 -3.731 19431 7099 1 17 . 1 1 107 107 MET CB C 107 21.629 21.629 30.344 -8.715 19431 7100 1 17 . 1 1 108 108 ASN N N 108 117.079 117.079 116.248 0.831 19431 7101 1 17 . 1 1 108 108 ASN HA H 108 5.111 5.111 5.314 -0.203 19431 7102 1 17 . 1 1 108 108 ASN CA C 108 49.519 49.519 51.852 -2.333 19431 7103 1 17 . 1 1 108 108 ASN CB C 108 37.221 37.221 40.641 -3.420 19431 7104 1 17 . 1 1 109 109 LEU N N 109 122.211 122.211 123.633 -1.422 19431 7105 1 17 . 1 1 109 109 LEU HA H 109 4.020 4.020 4.116 -0.096 19431 7106 1 17 . 1 1 109 109 LEU CA C 109 52.898 52.898 55.759 -2.861 19431 7107 1 17 . 1 1 109 109 LEU CB C 109 40.774 40.774 38.640 2.134 19431 7108 1 17 . 1 1 110 110 VAL N N 110 109.806 109.806 128.349 -18.543 19431 7109 1 17 . 1 1 110 110 VAL HA H 110 4.551 4.551 4.176 0.375 19431 7110 1 17 . 1 1 110 110 VAL CA C 110 57.276 57.276 62.937 -5.661 19431 7111 1 17 . 1 1 110 110 VAL CB C 110 30.242 30.242 33.598 -3.356 19431 7112 1 17 . 1 1 111 111 SER N N 111 113.487 113.487 115.069 -1.582 19431 7113 1 17 . 1 1 111 111 SER HA H 111 4.476 4.476 4.605 -0.129 19431 7114 1 17 . 1 1 111 111 SER CA C 111 55.637 55.637 58.292 -2.655 19431 7115 1 17 . 1 1 111 111 SER CB C 111 61.288 61.288 64.452 -3.164 19431 7116 1 17 . 1 1 112 112 PHE N N 112 126.988 126.988 126.816 0.172 19431 7117 1 17 . 1 1 112 112 PHE HA H 112 4.991 4.991 4.650 0.341 19431 7118 1 17 . 1 1 112 112 PHE CA C 112 55.305 55.305 57.486 -2.181 19431 7119 1 17 . 1 1 112 112 PHE CB C 112 40.128 40.128 40.511 -0.383 19431 7120 1 17 . 1 1 113 113 THR N N 113 120.333 120.333 123.084 -2.751 19431 7121 1 17 . 1 1 113 113 THR HA H 113 4.775 4.775 4.741 0.034 19431 7122 1 17 . 1 1 113 113 THR CA C 113 57.888 57.888 61.040 -3.152 19431 7123 1 17 . 1 1 113 113 THR CB C 113 69.193 69.193 71.931 -2.738 19431 7124 1 18 . 1 1 2 2 GLU HA H 2 4.446 4.446 4.706 -0.260 19431 7125 1 18 . 1 1 2 2 GLU CA C 2 53.359 53.359 55.024 -1.665 19431 7126 1 18 . 1 1 2 2 GLU CB C 2 29.108 29.108 31.400 -2.292 19431 7127 1 18 . 1 1 3 3 ILE N N 3 123.144 123.144 120.392 2.752 19431 7128 1 18 . 1 1 3 3 ILE HA H 3 4.358 4.358 4.393 -0.035 19431 7129 1 18 . 1 1 3 3 ILE CA C 3 57.727 57.727 59.116 -1.389 19431 7130 1 18 . 1 1 3 3 ILE CB C 3 35.665 35.665 37.922 -2.257 19431 7131 1 18 . 1 1 4 4 LEU N N 4 127.461 127.461 128.324 -0.863 19431 7132 1 18 . 1 1 4 4 LEU HA H 4 4.554 4.554 4.564 -0.010 19431 7133 1 18 . 1 1 4 4 LEU CA C 4 51.011 51.011 53.938 -2.927 19431 7134 1 18 . 1 1 4 4 LEU CB C 4 41.209 41.209 42.590 -1.381 19431 7135 1 18 . 1 1 5 5 LYS N N 5 121.611 121.611 120.730 0.881 19431 7136 1 18 . 1 1 5 5 LYS HA H 5 4.436 4.436 4.248 0.188 19431 7137 1 18 . 1 1 5 5 LYS CA C 5 53.150 53.150 56.436 -3.286 19431 7138 1 18 . 1 1 5 5 LYS CB C 5 29.359 29.359 31.697 -2.338 19431 7139 1 18 . 1 1 6 6 GLU N N 6 115.825 115.825 115.612 0.213 19431 7140 1 18 . 1 1 6 6 GLU HA H 6 4.269 4.269 4.570 -0.301 19431 7141 1 18 . 1 1 6 6 GLU CA C 6 51.331 51.331 54.901 -3.570 19431 7142 1 18 . 1 1 6 6 GLU CB C 6 29.583 29.583 31.544 -1.960 19431 7143 1 18 . 1 1 7 7 LEU N N 7 118.967 118.967 122.143 -3.176 19431 7144 1 18 . 1 1 7 7 LEU HA H 7 4.311 4.311 4.539 -0.228 19431 7145 1 18 . 1 1 7 7 LEU CA C 7 50.182 50.182 53.083 -2.901 19431 7146 1 18 . 1 1 7 7 LEU CB C 7 39.422 39.422 41.279 -1.857 19431 7147 1 18 . 1 1 8 8 PRO HA H 8 4.432 4.432 4.520 -0.088 19431 7148 1 18 . 1 1 8 8 PRO CA C 8 59.119 59.119 62.318 -3.199 19431 7149 1 18 . 1 1 8 8 PRO CB C 8 29.306 29.306 32.393 -3.087 19431 7150 1 18 . 1 1 9 9 GLU N N 9 121.059 121.059 119.448 1.611 19431 7151 1 18 . 1 1 9 9 GLU HA H 9 4.033 4.033 4.161 -0.128 19431 7152 1 18 . 1 1 9 9 GLU CA C 9 55.281 55.281 57.156 -1.875 19431 7153 1 18 . 1 1 9 9 GLU CB C 9 26.864 26.864 29.806 -2.942 19431 7154 1 18 . 1 1 10 10 GLY N N 10 112.279 112.279 112.113 0.166 19431 7155 1 18 . 1 1 10 10 GLY CA C 10 42.029 42.029 44.416 -2.387 19431 7156 1 18 . 1 1 11 11 PHE N N 11 117.612 117.612 118.029 -0.417 19431 7157 1 18 . 1 1 11 11 PHE HA H 11 4.660 4.660 4.844 -0.184 19431 7158 1 18 . 1 1 11 11 PHE CA C 11 54.280 54.280 56.256 -1.976 19431 7159 1 18 . 1 1 11 11 PHE CB C 11 39.721 39.721 40.962 -1.240 19431 7160 1 18 . 1 1 12 12 ASP N N 12 121.568 121.568 121.085 0.483 19431 7161 1 18 . 1 1 12 12 ASP HA H 12 4.875 4.875 4.789 0.086 19431 7162 1 18 . 1 1 12 12 ASP CA C 12 49.676 49.676 52.703 -3.027 19431 7163 1 18 . 1 1 12 12 ASP CB C 12 42.307 42.307 42.737 -0.430 19431 7164 1 18 . 1 1 13 13 LYS N N 13 125.770 125.770 124.547 1.223 19431 7165 1 18 . 1 1 13 13 LYS HA H 13 3.294 3.294 3.326 -0.032 19431 7166 1 18 . 1 1 13 13 LYS CA C 13 58.046 58.046 59.596 -1.550 19431 7167 1 18 . 1 1 13 13 LYS CB C 13 30.216 30.216 32.284 -2.068 19431 7168 1 18 . 1 1 14 14 GLU N N 14 118.590 118.590 118.360 0.230 19431 7169 1 18 . 1 1 14 14 GLU HA H 14 4.090 4.090 4.319 -0.229 19431 7170 1 18 . 1 1 14 14 GLU CA C 14 56.364 56.364 58.943 -2.579 19431 7171 1 18 . 1 1 14 14 GLU CB C 14 26.479 26.479 29.758 -3.279 19431 7172 1 18 . 1 1 15 15 THR N N 15 118.372 118.372 117.744 0.628 19431 7173 1 18 . 1 1 15 15 THR HA H 15 3.737 3.737 4.021 -0.284 19431 7174 1 18 . 1 1 15 15 THR CA C 15 63.974 63.974 67.059 -3.085 19431 7175 1 18 . 1 1 15 15 THR CB C 15 65.565 65.565 68.421 -2.856 19431 7176 1 18 . 1 1 16 16 VAL N N 16 121.083 121.083 120.865 0.218 19431 7177 1 18 . 1 1 16 16 VAL HA H 16 3.329 3.329 3.440 -0.111 19431 7178 1 18 . 1 1 16 16 VAL CA C 16 64.214 64.214 65.864 -1.650 19431 7179 1 18 . 1 1 16 16 VAL CB C 16 29.011 29.011 31.159 -2.148 19431 7180 1 18 . 1 1 17 17 ARG N N 17 119.409 119.409 118.699 0.710 19431 7181 1 18 . 1 1 17 17 ARG HA H 17 3.737 3.737 3.981 -0.244 19431 7182 1 18 . 1 1 17 17 ARG CA C 17 58.049 58.049 59.437 -1.388 19431 7183 1 18 . 1 1 17 17 ARG CB C 17 27.401 27.401 30.422 -3.021 19431 7184 1 18 . 1 1 18 18 LYS N N 18 116.168 116.168 118.890 -2.722 19431 7185 1 18 . 1 1 18 18 LYS HA H 18 3.800 3.800 4.035 -0.235 19431 7186 1 18 . 1 1 18 18 LYS CA C 18 57.031 57.031 59.282 -2.251 19431 7187 1 18 . 1 1 18 18 LYS CB C 18 29.801 29.801 32.140 -2.339 19431 7188 1 18 . 1 1 19 19 GLN N N 19 120.008 120.008 116.330 3.678 19431 7189 1 18 . 1 1 19 19 GLN HA H 19 3.767 3.767 4.358 -0.591 19431 7190 1 18 . 1 1 19 19 GLN CA C 19 54.492 54.492 56.399 -1.907 19431 7191 1 18 . 1 1 19 19 GLN CB C 19 26.490 26.490 28.022 -1.532 19431 7192 1 18 . 1 1 20 20 ALA N N 20 122.405 122.405 123.179 -0.774 19431 7193 1 18 . 1 1 20 20 ALA HA H 20 4.404 4.404 4.597 -0.193 19431 7194 1 18 . 1 1 20 20 ALA CA C 20 52.036 52.036 54.115 -2.079 19431 7195 1 18 . 1 1 20 20 ALA CB C 20 16.407 16.407 19.164 -2.757 19431 7196 1 18 . 1 1 21 21 MET N N 21 115.042 115.042 119.631 -4.589 19431 7197 1 18 . 1 1 21 21 MET HA H 21 3.354 3.354 3.573 -0.219 19431 7198 1 18 . 1 1 21 21 MET CA C 21 56.861 56.861 60.460 -3.599 19431 7199 1 18 . 1 1 21 21 MET CB C 21 30.538 30.538 32.571 -2.033 19431 7200 1 18 . 1 1 22 22 GLU N N 22 118.882 118.882 118.849 0.033 19431 7201 1 18 . 1 1 22 22 GLU HA H 22 3.923 3.923 4.201 -0.278 19431 7202 1 18 . 1 1 22 22 GLU CA C 22 56.675 56.675 59.190 -2.515 19431 7203 1 18 . 1 1 22 22 GLU CB C 22 26.613 26.613 29.463 -2.850 19431 7204 1 18 . 1 1 23 23 ASP N N 23 122.549 122.549 119.594 2.955 19431 7205 1 18 . 1 1 23 23 ASP HA H 23 4.658 4.658 4.599 0.059 19431 7206 1 18 . 1 1 23 23 ASP CA C 23 55.053 55.053 57.516 -2.463 19431 7207 1 18 . 1 1 23 23 ASP CB C 23 37.479 37.479 40.221 -2.742 19431 7208 1 18 . 1 1 24 24 ILE N N 24 123.580 123.580 120.935 2.645 19431 7209 1 18 . 1 1 24 24 ILE HA H 24 3.678 3.678 3.886 -0.208 19431 7210 1 18 . 1 1 24 24 ILE CA C 24 63.201 63.201 65.532 -2.331 19431 7211 1 18 . 1 1 24 24 ILE CB C 24 35.138 35.138 37.944 -2.805 19431 7212 1 18 . 1 1 25 25 GLU N N 25 120.591 120.591 120.739 -0.148 19431 7213 1 18 . 1 1 25 25 GLU HA H 25 3.885 3.885 3.947 -0.062 19431 7214 1 18 . 1 1 25 25 GLU CA C 25 57.824 57.824 59.832 -2.008 19431 7215 1 18 . 1 1 25 25 GLU CB C 25 25.883 25.883 29.600 -3.717 19431 7216 1 18 . 1 1 26 26 ILE N N 26 121.350 121.350 117.829 3.521 19431 7217 1 18 . 1 1 26 26 ILE HA H 26 3.718 3.718 3.720 -0.002 19431 7218 1 18 . 1 1 26 26 ILE CA C 26 62.881 62.881 64.419 -1.538 19431 7219 1 18 . 1 1 26 26 ILE CB C 26 35.324 35.324 37.664 -2.340 19431 7220 1 18 . 1 1 27 27 ALA N N 27 120.204 120.204 122.481 -2.277 19431 7221 1 18 . 1 1 28 28 GLN N N 28 114.627 114.627 118.511 -3.884 19431 7222 1 18 . 1 1 28 28 GLN CB C 28 26.380 26.380 28.979 -2.599 19431 7223 1 18 . 1 1 29 29 SER N N 29 115.031 115.031 112.396 2.635 19431 7224 1 18 . 1 1 29 29 SER HA H 29 4.260 4.260 4.494 -0.234 19431 7225 1 18 . 1 1 29 29 SER CA C 29 57.768 57.768 58.179 -0.411 19431 7226 1 18 . 1 1 29 29 SER CB C 29 61.367 61.367 63.213 -1.846 19431 7227 1 18 . 1 1 30 30 LYS N N 30 112.834 112.834 118.555 -5.721 19431 7228 1 18 . 1 1 30 30 LYS HA H 30 4.228 4.228 3.646 0.582 19431 7229 1 18 . 1 1 30 30 LYS CA C 30 56.103 56.103 56.946 -0.843 19431 7230 1 18 . 1 1 30 30 LYS CB C 30 26.478 26.478 29.746 -3.268 19431 7231 1 18 . 1 1 31 31 ASP N N 31 121.067 121.067 120.506 0.561 19431 7232 1 18 . 1 1 31 31 ASP HA H 31 4.877 4.877 4.134 0.743 19431 7233 1 18 . 1 1 31 31 ASP CA C 31 49.742 49.742 52.456 -2.714 19431 7234 1 18 . 1 1 31 31 ASP CB C 31 38.652 38.652 43.590 -4.938 19431 7235 1 18 . 1 1 32 32 TYR N N 32 126.671 126.671 120.542 6.129 19431 7236 1 18 . 1 1 32 32 TYR HA H 32 3.311 3.311 4.768 -1.457 19431 7237 1 18 . 1 1 32 32 TYR CA C 32 57.951 57.951 58.048 -0.097 19431 7238 1 18 . 1 1 32 32 TYR CB C 32 36.158 36.158 39.833 -3.675 19431 7239 1 18 . 1 1 33 33 GLU N N 33 115.884 115.884 117.297 -1.413 19431 7240 1 18 . 1 1 33 33 GLU HA H 33 3.442 3.442 4.523 -1.081 19431 7241 1 18 . 1 1 33 33 GLU CA C 33 56.757 56.757 57.370 -0.613 19431 7242 1 18 . 1 1 33 33 GLU CB C 33 26.095 26.095 31.704 -5.609 19431 7243 1 18 . 1 1 34 34 SER N N 34 116.060 116.060 115.086 0.974 19431 7244 1 18 . 1 1 34 34 SER HA H 34 4.026 4.026 4.469 -0.443 19431 7245 1 18 . 1 1 34 34 SER CA C 34 58.953 58.953 60.223 -1.270 19431 7246 1 18 . 1 1 34 34 SER CB C 34 59.683 59.683 63.632 -3.949 19431 7247 1 18 . 1 1 35 35 TRP N N 35 123.977 123.977 123.730 0.247 19431 7248 1 18 . 1 1 35 35 TRP CA C 35 57.894 57.894 60.179 -2.285 19431 7249 1 18 . 1 1 35 35 TRP CB C 35 25.531 25.531 29.580 -4.049 19431 7250 1 18 . 1 1 36 36 LYS N N 36 117.633 117.633 119.026 -1.393 19431 7251 1 18 . 1 1 36 36 LYS HA H 36 3.128 3.128 4.020 -0.892 19431 7252 1 18 . 1 1 36 36 LYS CA C 36 55.998 55.998 59.910 -3.912 19431 7253 1 18 . 1 1 36 36 LYS CB C 36 29.304 29.304 32.149 -2.845 19431 7254 1 18 . 1 1 37 37 SER N N 37 109.835 109.835 113.554 -3.719 19431 7255 1 18 . 1 1 37 37 SER HA H 37 3.989 3.989 4.210 -0.221 19431 7256 1 18 . 1 1 37 37 SER CA C 37 57.765 57.765 60.449 -2.684 19431 7257 1 18 . 1 1 37 37 SER CB C 37 60.606 60.606 63.084 -2.478 19431 7258 1 18 . 1 1 38 38 ARG N N 38 119.946 119.946 118.412 1.534 19431 7259 1 18 . 1 1 38 38 ARG HA H 38 4.144 4.144 4.090 0.054 19431 7260 1 18 . 1 1 38 38 ARG CA C 38 51.208 51.208 56.213 -5.005 19431 7261 1 18 . 1 1 38 38 ARG CB C 38 25.717 25.717 29.899 -4.182 19431 7262 1 18 . 1 1 39 39 PHE N N 39 117.529 117.529 117.414 0.115 19431 7263 1 18 . 1 1 39 39 PHE HA H 39 4.855 4.855 4.902 -0.047 19431 7264 1 18 . 1 1 39 39 PHE CA C 39 54.234 54.234 57.965 -3.731 19431 7265 1 18 . 1 1 39 39 PHE CB C 39 37.547 37.547 39.580 -2.033 19431 7266 1 18 . 1 1 40 40 THR N N 40 113.296 113.296 116.182 -2.886 19431 7267 1 18 . 1 1 40 40 THR HA H 40 3.991 3.991 4.253 -0.262 19431 7268 1 18 . 1 1 40 40 THR CA C 40 59.704 59.704 62.263 -2.559 19431 7269 1 18 . 1 1 40 40 THR CB C 40 66.175 66.175 70.604 -4.429 19431 7270 1 18 . 1 1 41 41 LYS N N 41 124.924 124.924 123.049 1.875 19431 7271 1 18 . 1 1 41 41 LYS HA H 41 3.713 3.713 3.984 -0.271 19431 7272 1 18 . 1 1 41 41 LYS CA C 41 57.650 57.650 60.139 -2.490 19431 7273 1 18 . 1 1 41 41 LYS CB C 41 29.363 29.363 32.279 -2.916 19431 7274 1 18 . 1 1 42 42 ASP N N 42 116.255 116.255 119.607 -3.352 19431 7275 1 18 . 1 1 42 42 ASP HA H 42 4.343 4.343 4.434 -0.091 19431 7276 1 18 . 1 1 42 42 ASP CA C 42 53.841 53.841 57.631 -3.790 19431 7277 1 18 . 1 1 42 42 ASP CB C 42 37.703 37.703 41.172 -3.469 19431 7278 1 18 . 1 1 43 43 LEU N N 43 119.134 119.134 120.427 -1.293 19431 7279 1 18 . 1 1 43 43 LEU HA H 43 4.320 4.320 4.035 0.285 19431 7280 1 18 . 1 1 43 43 LEU CA C 43 52.423 52.423 56.988 -4.565 19431 7281 1 18 . 1 1 43 43 LEU CB C 43 40.023 40.023 41.889 -1.866 19431 7282 1 18 . 1 1 44 44 GLN N N 44 119.455 119.455 118.262 1.193 19431 7283 1 18 . 1 1 44 44 GLN HA H 44 3.466 3.466 3.987 -0.521 19431 7284 1 18 . 1 1 44 44 GLN CA C 44 57.437 57.437 58.952 -1.515 19431 7285 1 18 . 1 1 44 44 GLN CB C 44 25.394 25.394 28.610 -3.216 19431 7286 1 18 . 1 1 45 45 SER N N 45 110.605 110.605 112.701 -2.096 19431 7287 1 18 . 1 1 45 45 SER HA H 45 4.211 4.211 4.472 -0.261 19431 7288 1 18 . 1 1 45 45 SER CA C 45 57.621 57.621 60.021 -2.400 19431 7289 1 18 . 1 1 45 45 SER CB C 45 60.094 60.094 63.715 -3.621 19431 7290 1 18 . 1 1 46 46 SER N N 46 115.075 115.075 116.040 -0.965 19431 7291 1 18 . 1 1 46 46 SER HA H 46 4.473 4.473 4.465 0.008 19431 7292 1 18 . 1 1 46 46 SER CA C 46 55.739 55.739 58.795 -3.056 19431 7293 1 18 . 1 1 46 46 SER CB C 46 61.628 61.628 63.859 -2.231 19431 7294 1 18 . 1 1 47 47 LEU N N 47 124.984 124.984 121.486 3.498 19431 7295 1 18 . 1 1 47 47 LEU HA H 47 4.334 4.334 4.087 0.247 19431 7296 1 18 . 1 1 47 47 LEU CA C 47 52.040 52.040 55.180 -3.140 19431 7297 1 18 . 1 1 47 47 LEU CB C 47 39.810 39.810 42.549 -2.739 19431 7298 1 18 . 1 1 48 48 THR N N 48 111.152 111.152 111.814 -0.662 19431 7299 1 18 . 1 1 48 48 THR HA H 48 4.665 4.665 4.554 0.111 19431 7300 1 18 . 1 1 48 48 THR CA C 48 56.718 56.718 60.161 -3.443 19431 7301 1 18 . 1 1 48 48 THR CB C 48 69.103 69.103 70.952 -1.849 19431 7302 1 18 . 1 1 49 49 GLU N N 49 124.552 124.552 123.355 1.197 19431 7303 1 18 . 1 1 49 49 GLU HA H 49 3.194 3.194 4.056 -0.862 19431 7304 1 18 . 1 1 49 49 GLU CA C 49 56.770 56.770 59.630 -2.860 19431 7305 1 18 . 1 1 49 49 GLU CB C 49 26.148 26.148 29.502 -3.354 19431 7306 1 18 . 1 1 50 50 GLU N N 50 118.615 118.615 119.825 -1.210 19431 7307 1 18 . 1 1 50 50 GLU HA H 50 4.000 4.000 4.104 -0.104 19431 7308 1 18 . 1 1 50 50 GLU CA C 50 57.357 57.357 58.978 -1.621 19431 7309 1 18 . 1 1 50 50 GLU CB C 50 26.511 26.511 29.236 -2.725 19431 7310 1 18 . 1 1 51 51 SER N N 51 116.380 116.380 113.747 2.633 19431 7311 1 18 . 1 1 51 51 SER HA H 51 4.256 4.256 4.302 -0.046 19431 7312 1 18 . 1 1 51 51 SER CA C 51 58.825 58.825 60.640 -1.815 19431 7313 1 18 . 1 1 51 51 SER CB C 51 59.884 59.884 63.153 -3.269 19431 7314 1 18 . 1 1 52 52 TYR N N 52 125.611 125.611 115.862 9.749 19431 7315 1 18 . 1 1 52 52 TYR CB C 52 36.647 36.647 38.266 -1.619 19431 7316 1 18 . 1 1 53 53 ASP N N 53 119.653 119.653 119.354 0.299 19431 7317 1 18 . 1 1 53 53 ASP HA H 53 4.115 4.115 4.786 -0.671 19431 7318 1 18 . 1 1 53 53 ASP CA C 53 54.553 54.553 54.649 -0.096 19431 7319 1 18 . 1 1 53 53 ASP CB C 53 37.477 37.477 42.859 -5.383 19431 7320 1 18 . 1 1 54 54 SER N N 54 114.883 114.883 117.597 -2.714 19431 7321 1 18 . 1 1 54 54 SER HA H 54 3.946 3.946 4.091 -0.145 19431 7322 1 18 . 1 1 54 54 SER CA C 54 59.741 59.741 61.721 -1.980 19431 7323 1 18 . 1 1 54 54 SER CB C 54 59.750 59.750 63.338 -3.588 19431 7324 1 18 . 1 1 55 55 TYR N N 55 123.933 123.933 123.818 0.115 19431 7325 1 18 . 1 1 55 55 TYR HA H 55 4.361 4.361 4.256 0.105 19431 7326 1 18 . 1 1 55 55 TYR CA C 55 57.213 57.213 61.629 -4.415 19431 7327 1 18 . 1 1 55 55 TYR CB C 55 34.024 34.024 38.523 -4.499 19431 7328 1 18 . 1 1 56 56 LEU N N 56 119.758 119.758 118.324 1.434 19431 7329 1 18 . 1 1 56 56 LEU HA H 56 3.252 3.252 3.774 -0.522 19431 7330 1 18 . 1 1 56 56 LEU CA C 56 54.681 54.681 57.133 -2.452 19431 7331 1 18 . 1 1 56 56 LEU CB C 56 38.151 38.151 41.461 -3.310 19431 7332 1 18 . 1 1 57 57 LYS N N 57 118.487 118.487 119.859 -1.372 19431 7333 1 18 . 1 1 57 57 LYS HA H 57 3.852 3.852 4.207 -0.355 19431 7334 1 18 . 1 1 57 57 LYS CA C 57 56.090 56.090 59.170 -3.080 19431 7335 1 18 . 1 1 57 57 LYS CB C 57 29.683 29.683 31.838 -2.155 19431 7336 1 18 . 1 1 58 58 ILE N N 58 120.887 120.887 118.025 2.862 19431 7337 1 18 . 1 1 58 58 ILE HA H 58 3.591 3.591 3.706 -0.115 19431 7338 1 18 . 1 1 58 58 ILE CA C 58 61.366 61.366 64.642 -3.276 19431 7339 1 18 . 1 1 58 58 ILE CB C 58 35.144 35.144 37.922 -2.778 19431 7340 1 18 . 1 1 59 59 LEU N N 59 122.273 122.273 121.008 1.265 19431 7341 1 18 . 1 1 59 59 LEU HA H 59 3.437 3.437 3.688 -0.251 19431 7342 1 18 . 1 1 59 59 LEU CA C 59 54.847 54.847 57.864 -3.017 19431 7343 1 18 . 1 1 59 59 LEU CB C 59 39.071 39.071 41.432 -2.361 19431 7344 1 18 . 1 1 60 60 GLU N N 60 118.591 118.591 116.626 1.965 19431 7345 1 18 . 1 1 60 60 GLU HA H 60 3.810 3.810 4.038 -0.228 19431 7346 1 18 . 1 1 60 60 GLU CA C 60 56.156 56.156 58.489 -2.333 19431 7347 1 18 . 1 1 60 60 GLU CB C 60 26.820 26.820 29.733 -2.913 19431 7348 1 18 . 1 1 61 61 LYS N N 61 115.698 115.698 114.727 0.971 19431 7349 1 18 . 1 1 61 61 LYS HA H 61 4.029 4.029 4.442 -0.413 19431 7350 1 18 . 1 1 61 61 LYS CA C 61 54.164 54.164 56.388 -2.224 19431 7351 1 18 . 1 1 61 61 LYS CB C 61 29.581 29.581 32.536 -2.955 19431 7352 1 18 . 1 1 62 62 GLN N N 62 114.863 114.863 118.791 -3.928 19431 7353 1 18 . 1 1 62 62 GLN HA H 62 3.851 3.851 4.349 -0.498 19431 7354 1 18 . 1 1 62 62 GLN CA C 62 52.258 52.258 55.239 -2.981 19431 7355 1 18 . 1 1 62 62 GLN CB C 62 25.186 25.186 29.491 -4.304 19431 7356 1 18 . 1 1 63 63 GLY N N 63 101.724 101.724 108.521 -6.797 19431 7357 1 18 . 1 1 63 63 GLY CA C 63 41.815 41.815 44.857 -3.042 19431 7358 1 18 . 1 1 64 64 GLU N N 64 118.731 118.731 119.838 -1.107 19431 7359 1 18 . 1 1 64 64 GLU HA H 64 4.137 4.137 4.868 -0.731 19431 7360 1 18 . 1 1 64 64 GLU CA C 64 54.598 54.598 54.267 0.331 19431 7361 1 18 . 1 1 64 64 GLU CB C 64 28.312 28.312 33.398 -5.086 19431 7362 1 18 . 1 1 65 65 PHE N N 65 123.366 123.366 122.472 0.894 19431 7363 1 18 . 1 1 65 65 PHE HA H 65 3.825 3.825 3.905 -0.080 19431 7364 1 18 . 1 1 65 65 PHE CA C 65 57.419 57.419 59.535 -2.116 19431 7365 1 18 . 1 1 65 65 PHE CB C 65 36.666 36.666 39.196 -2.530 19431 7366 1 18 . 1 1 66 66 LYS N N 66 125.336 125.336 126.265 -0.929 19431 7367 1 18 . 1 1 66 66 LYS HA H 66 4.168 4.168 4.040 0.128 19431 7368 1 18 . 1 1 66 66 LYS CA C 66 53.226 53.226 55.894 -2.668 19431 7369 1 18 . 1 1 66 66 LYS CB C 66 30.293 30.293 34.271 -3.978 19431 7370 1 18 . 1 1 67 67 GLU N N 67 112.076 112.076 117.187 -5.111 19431 7371 1 18 . 1 1 67 67 GLU HA H 67 4.069 4.069 4.002 0.067 19431 7372 1 18 . 1 1 67 67 GLU CA C 67 52.907 52.907 55.667 -2.760 19431 7373 1 18 . 1 1 67 67 GLU CB C 67 29.378 29.378 32.122 -2.744 19431 7374 1 18 . 1 1 68 68 PHE N N 68 118.706 118.706 121.041 -2.335 19431 7375 1 18 . 1 1 68 68 PHE CB C 68 38.408 38.408 40.319 -1.911 19431 7376 1 18 . 1 1 69 69 GLY N N 69 112.889 112.889 112.353 0.536 19431 7377 1 18 . 1 1 69 69 GLY CA C 69 41.353 41.353 45.453 -4.100 19431 7378 1 18 . 1 1 70 70 LYS N N 70 122.409 122.409 118.351 4.058 19431 7379 1 18 . 1 1 70 70 LYS HA H 70 4.085 4.085 4.627 -0.542 19431 7380 1 18 . 1 1 70 70 LYS CA C 70 54.418 54.418 55.144 -0.726 19431 7381 1 18 . 1 1 70 70 LYS CB C 70 31.197 31.197 35.648 -4.451 19431 7382 1 18 . 1 1 71 71 CYS N N 71 118.509 118.509 119.556 -1.047 19431 7383 1 18 . 1 1 71 71 CYS HA H 71 5.332 5.332 5.596 -0.264 19431 7384 1 18 . 1 1 71 71 CYS CA C 71 54.655 54.655 56.773 -2.119 19431 7385 1 18 . 1 1 71 71 CYS CB C 71 28.223 28.223 28.648 -0.425 19431 7386 1 18 . 1 1 72 72 THR N N 72 120.129 120.129 122.247 -2.118 19431 7387 1 18 . 1 1 72 72 THR HA H 72 4.272 4.272 4.534 -0.262 19431 7388 1 18 . 1 1 72 72 THR CA C 72 58.652 58.652 61.594 -2.942 19431 7389 1 18 . 1 1 72 72 THR CB C 72 68.199 68.199 70.291 -2.092 19431 7390 1 18 . 1 1 73 73 TYR N N 73 122.772 122.772 126.043 -3.271 19431 7391 1 18 . 1 1 73 73 TYR HA H 73 5.034 5.034 4.829 0.205 19431 7392 1 18 . 1 1 73 73 TYR CA C 73 55.497 55.497 58.325 -2.828 19431 7393 1 18 . 1 1 73 73 TYR CB C 73 38.271 38.271 39.618 -1.347 19431 7394 1 18 . 1 1 74 74 LEU N N 74 117.980 117.980 119.148 -1.168 19431 7395 1 18 . 1 1 74 74 LEU HA H 74 4.466 4.466 4.831 -0.365 19431 7396 1 18 . 1 1 74 74 LEU CA C 74 51.805 51.805 54.071 -2.266 19431 7397 1 18 . 1 1 74 74 LEU CB C 74 42.030 42.030 46.200 -4.170 19431 7398 1 18 . 1 1 75 75 GLY N N 75 105.257 105.257 106.068 -0.811 19431 7399 1 18 . 1 1 75 75 GLY CA C 75 42.799 42.799 45.070 -2.271 19431 7400 1 18 . 1 1 76 76 GLN N N 76 119.071 119.071 118.847 0.224 19431 7401 1 18 . 1 1 76 76 GLN HA H 76 4.938 4.938 4.858 0.080 19431 7402 1 18 . 1 1 76 76 GLN CA C 76 52.495 52.495 54.722 -2.228 19431 7403 1 18 . 1 1 76 76 GLN CB C 76 30.498 30.498 33.230 -2.732 19431 7404 1 18 . 1 1 77 77 ILE N N 77 123.550 123.550 120.395 3.155 19431 7405 1 18 . 1 1 77 77 ILE HA H 77 4.992 4.992 5.260 -0.268 19431 7406 1 18 . 1 1 77 77 ILE CA C 77 57.239 57.239 60.455 -3.216 19431 7407 1 18 . 1 1 77 77 ILE CB C 77 36.664 36.664 41.167 -4.503 19431 7408 1 18 . 1 1 78 78 LYS N N 78 127.532 127.532 127.413 0.119 19431 7409 1 18 . 1 1 78 78 LYS HA H 78 4.585 4.585 4.608 -0.023 19431 7410 1 18 . 1 1 78 78 LYS CA C 78 52.768 52.768 54.704 -1.936 19431 7411 1 18 . 1 1 78 78 LYS CB C 78 32.536 32.536 32.746 -0.210 19431 7412 1 18 . 1 1 79 79 ASP N N 79 128.019 128.019 125.780 2.239 19431 7413 1 18 . 1 1 79 79 ASP HA H 79 4.168 4.168 4.279 -0.111 19431 7414 1 18 . 1 1 79 79 ASP CA C 79 53.258 53.258 57.058 -3.800 19431 7415 1 18 . 1 1 79 79 ASP CB C 79 36.826 36.826 39.779 -2.953 19431 7416 1 18 . 1 1 80 80 ASN N N 80 110.608 110.608 117.627 -7.019 19431 7417 1 18 . 1 1 80 80 ASN HA H 80 4.168 4.168 4.887 -0.719 19431 7418 1 18 . 1 1 80 80 ASN CA C 80 51.912 51.912 53.054 -1.142 19431 7419 1 18 . 1 1 80 80 ASN CB C 80 35.506 35.506 41.400 -5.894 19431 7420 1 18 . 1 1 81 81 LYS N N 81 121.116 121.116 122.151 -1.035 19431 7421 1 18 . 1 1 81 81 LYS HA H 81 4.482 4.482 4.753 -0.271 19431 7422 1 18 . 1 1 81 81 LYS CA C 81 52.353 52.353 54.377 -2.024 19431 7423 1 18 . 1 1 81 81 LYS CB C 81 32.119 32.119 34.810 -2.691 19431 7424 1 18 . 1 1 82 82 LYS N N 82 119.259 119.259 123.861 -4.602 19431 7425 1 18 . 1 1 82 82 LYS HA H 82 4.765 4.765 5.401 -0.636 19431 7426 1 18 . 1 1 82 82 LYS CA C 82 52.722 52.722 55.402 -2.680 19431 7427 1 18 . 1 1 82 82 LYS CB C 82 32.934 32.934 35.666 -2.732 19431 7428 1 18 . 1 1 83 83 TYR N N 83 118.176 118.176 119.388 -1.212 19431 7429 1 18 . 1 1 83 83 TYR HA H 83 5.275 5.275 4.835 0.440 19431 7430 1 18 . 1 1 83 83 TYR CA C 83 53.383 53.383 56.849 -3.466 19431 7431 1 18 . 1 1 83 83 TYR CB C 83 38.026 38.026 42.954 -4.928 19431 7432 1 18 . 1 1 84 84 GLY N N 84 111.686 111.686 107.726 3.960 19431 7433 1 18 . 1 1 84 84 GLY CA C 84 41.219 41.219 42.886 -1.667 19431 7434 1 18 . 1 1 85 85 GLY N N 85 111.232 111.232 107.993 3.239 19431 7435 1 18 . 1 1 85 85 GLY CA C 85 42.272 42.272 43.669 -1.397 19431 7436 1 18 . 1 1 86 86 VAL N N 86 115.256 115.256 119.805 -4.549 19431 7437 1 18 . 1 1 86 86 VAL HA H 86 5.127 5.127 4.919 0.208 19431 7438 1 18 . 1 1 86 86 VAL CA C 86 55.741 55.741 60.603 -4.862 19431 7439 1 18 . 1 1 86 86 VAL CB C 86 33.129 33.129 35.182 -2.053 19431 7440 1 18 . 1 1 87 87 ILE N N 87 125.124 125.124 129.707 -4.583 19431 7441 1 18 . 1 1 87 87 ILE HA H 87 5.206 5.206 4.569 0.637 19431 7442 1 18 . 1 1 87 87 ILE CA C 87 57.168 57.168 60.715 -3.547 19431 7443 1 18 . 1 1 87 87 ILE CB C 87 36.590 36.590 38.334 -1.744 19431 7444 1 18 . 1 1 88 88 ILE N N 88 128.056 128.056 129.291 -1.235 19431 7445 1 18 . 1 1 88 88 ILE HA H 88 5.146 5.146 4.785 0.361 19431 7446 1 18 . 1 1 88 88 ILE CA C 88 55.356 55.356 59.025 -3.669 19431 7447 1 18 . 1 1 88 88 ILE CB C 88 39.847 39.847 39.943 -0.096 19431 7448 1 18 . 1 1 89 89 VAL N N 89 128.326 128.326 129.699 -1.373 19431 7449 1 18 . 1 1 89 89 VAL HA H 89 4.387 4.387 4.359 0.028 19431 7450 1 18 . 1 1 89 89 VAL CA C 89 59.839 59.839 62.478 -2.639 19431 7451 1 18 . 1 1 89 89 VAL CB C 89 30.295 30.295 32.605 -2.310 19431 7452 1 18 . 1 1 90 90 VAL N N 90 128.738 128.738 130.297 -1.559 19431 7453 1 18 . 1 1 90 90 VAL HA H 90 4.207 4.207 4.712 -0.505 19431 7454 1 18 . 1 1 90 90 VAL CA C 90 59.722 59.722 61.318 -1.596 19431 7455 1 18 . 1 1 90 90 VAL CB C 90 31.537 31.537 33.429 -1.892 19431 7456 1 18 . 1 1 91 91 LYS N N 91 126.004 126.004 127.509 -1.505 19431 7457 1 18 . 1 1 91 91 LYS HA H 91 4.629 4.629 4.638 -0.009 19431 7458 1 18 . 1 1 91 91 LYS CA C 91 52.972 52.972 55.160 -2.188 19431 7459 1 18 . 1 1 91 91 LYS CB C 91 30.789 30.789 31.934 -1.145 19431 7460 1 18 . 1 1 92 92 TYR N N 92 123.932 123.932 125.082 -1.150 19431 7461 1 18 . 1 1 92 92 TYR HA H 92 4.940 4.940 4.603 0.337 19431 7462 1 18 . 1 1 92 92 TYR CA C 92 53.905 53.905 59.143 -5.238 19431 7463 1 18 . 1 1 92 92 TYR CB C 92 39.331 39.331 39.475 -0.144 19431 7464 1 18 . 1 1 93 93 GLU N N 93 122.195 122.195 119.074 3.121 19431 7465 1 18 . 1 1 93 93 GLU HA H 93 3.834 3.834 4.094 -0.260 19431 7466 1 18 . 1 1 93 93 GLU CA C 93 57.465 57.465 59.052 -1.587 19431 7467 1 18 . 1 1 93 93 GLU CB C 93 28.695 28.695 30.316 -1.621 19431 7468 1 18 . 1 1 94 94 GLU N N 94 110.219 110.219 115.455 -5.236 19431 7469 1 18 . 1 1 94 94 GLU HA H 94 4.440 4.440 4.572 -0.132 19431 7470 1 18 . 1 1 94 94 GLU CA C 94 52.555 52.555 56.036 -3.481 19431 7471 1 18 . 1 1 94 94 GLU CB C 94 26.861 26.861 31.431 -4.571 19431 7472 1 18 . 1 1 95 95 GLY N N 95 106.566 106.566 107.924 -1.358 19431 7473 1 18 . 1 1 95 95 GLY CA C 95 42.542 42.542 45.409 -2.867 19431 7474 1 18 . 1 1 96 96 ASN N N 96 116.707 116.707 122.547 -5.840 19431 7475 1 18 . 1 1 96 96 ASN HA H 96 5.720 5.720 5.878 -0.158 19431 7476 1 18 . 1 1 96 96 ASN CA C 96 49.003 49.003 52.428 -3.425 19431 7477 1 18 . 1 1 96 96 ASN CB C 96 37.602 37.602 40.849 -3.247 19431 7478 1 18 . 1 1 97 97 VAL N N 97 122.002 122.002 124.603 -2.601 19431 7479 1 18 . 1 1 97 97 VAL HA H 97 4.117 4.117 4.308 -0.191 19431 7480 1 18 . 1 1 97 97 VAL CA C 97 58.404 58.404 60.819 -2.415 19431 7481 1 18 . 1 1 97 97 VAL CB C 97 33.456 33.456 33.434 0.022 19431 7482 1 18 . 1 1 98 98 ASN N N 98 124.376 124.376 126.689 -2.313 19431 7483 1 18 . 1 1 98 98 ASN HA H 98 5.135 5.135 4.952 0.183 19431 7484 1 18 . 1 1 98 98 ASN CA C 98 48.630 48.630 52.673 -4.043 19431 7485 1 18 . 1 1 98 98 ASN CB C 98 36.031 36.031 37.580 -1.549 19431 7486 1 18 . 1 1 99 99 TYR N N 99 123.932 123.932 123.192 0.740 19431 7487 1 18 . 1 1 99 99 TYR HA H 99 4.640 4.640 4.293 0.347 19431 7488 1 18 . 1 1 99 99 TYR CA C 99 55.468 55.468 59.463 -3.995 19431 7489 1 18 . 1 1 99 99 TYR CB C 99 38.122 38.122 37.801 0.321 19431 7490 1 18 . 1 1 100 100 SER N N 100 115.327 115.327 120.664 -5.337 19431 7491 1 18 . 1 1 100 100 SER HA H 100 5.242 5.242 5.140 0.102 19431 7492 1 18 . 1 1 100 100 SER CA C 100 53.767 53.767 57.232 -3.465 19431 7493 1 18 . 1 1 100 100 SER CB C 100 60.649 60.649 63.315 -2.666 19431 7494 1 18 . 1 1 101 101 LEU N N 101 130.521 130.521 128.601 1.920 19431 7495 1 18 . 1 1 101 101 LEU HA H 101 4.978 4.978 4.883 0.095 19431 7496 1 18 . 1 1 101 101 LEU CA C 101 51.756 51.756 53.315 -1.559 19431 7497 1 18 . 1 1 101 101 LEU CB C 101 42.765 42.765 44.270 -1.505 19431 7498 1 18 . 1 1 102 102 ALA N N 102 121.373 121.373 125.091 -3.718 19431 7499 1 18 . 1 1 102 102 ALA HA H 102 4.994 4.994 5.248 -0.255 19431 7500 1 18 . 1 1 102 102 ALA CA C 102 48.505 48.505 50.661 -2.156 19431 7501 1 18 . 1 1 102 102 ALA CB C 102 19.355 19.355 22.883 -3.528 19431 7502 1 18 . 1 1 103 103 TYR N N 103 120.633 120.633 120.188 0.445 19431 7503 1 18 . 1 1 103 103 TYR HA H 103 5.311 5.311 5.778 -0.467 19431 7504 1 18 . 1 1 103 103 TYR CA C 103 55.519 55.519 55.727 -0.208 19431 7505 1 18 . 1 1 103 103 TYR CB C 103 42.037 42.037 42.023 0.014 19431 7506 1 18 . 1 1 104 104 ASP N N 104 118.129 118.129 119.756 -1.627 19431 7507 1 18 . 1 1 104 104 ASP HA H 104 5.163 5.163 4.520 0.643 19431 7508 1 18 . 1 1 104 104 ASP CA C 104 49.372 49.372 51.837 -2.465 19431 7509 1 18 . 1 1 104 104 ASP CB C 104 39.054 39.054 41.688 -2.634 19431 7510 1 18 . 1 1 105 105 GLU N N 105 115.031 115.031 117.960 -2.929 19431 7511 1 18 . 1 1 105 105 GLU HA H 105 3.624 3.624 4.213 -0.589 19431 7512 1 18 . 1 1 105 105 GLU CA C 105 55.976 55.976 58.028 -2.051 19431 7513 1 18 . 1 1 105 105 GLU CB C 105 27.111 27.111 29.741 -2.630 19431 7514 1 18 . 1 1 106 106 ASP N N 106 119.038 119.038 117.562 1.476 19431 7515 1 18 . 1 1 107 107 MET N N 107 111.995 111.995 112.926 -0.931 19431 7516 1 18 . 1 1 107 107 MET HA H 107 4.343 4.343 4.090 0.253 19431 7517 1 18 . 1 1 107 107 MET CA C 107 51.671 51.671 56.176 -4.505 19431 7518 1 18 . 1 1 107 107 MET CB C 107 21.629 21.629 29.740 -8.111 19431 7519 1 18 . 1 1 108 108 ASN N N 108 117.079 117.079 115.978 1.101 19431 7520 1 18 . 1 1 108 108 ASN HA H 108 5.111 5.111 5.073 0.038 19431 7521 1 18 . 1 1 108 108 ASN CA C 108 49.519 49.519 52.396 -2.877 19431 7522 1 18 . 1 1 108 108 ASN CB C 108 37.221 37.221 39.897 -2.676 19431 7523 1 18 . 1 1 109 109 LEU N N 109 122.211 122.211 121.914 0.297 19431 7524 1 18 . 1 1 109 109 LEU HA H 109 4.020 4.020 4.168 -0.148 19431 7525 1 18 . 1 1 109 109 LEU CA C 109 52.898 52.898 56.241 -3.343 19431 7526 1 18 . 1 1 109 109 LEU CB C 109 40.774 40.774 41.613 -0.839 19431 7527 1 18 . 1 1 110 110 VAL N N 110 109.806 109.806 126.331 -16.525 19431 7528 1 18 . 1 1 110 110 VAL HA H 110 4.551 4.551 4.381 0.170 19431 7529 1 18 . 1 1 110 110 VAL CA C 110 57.276 57.276 62.574 -5.298 19431 7530 1 18 . 1 1 110 110 VAL CB C 110 30.242 30.242 33.762 -3.520 19431 7531 1 18 . 1 1 111 111 SER N N 111 113.487 113.487 115.318 -1.831 19431 7532 1 18 . 1 1 111 111 SER HA H 111 4.476 4.476 4.661 -0.185 19431 7533 1 18 . 1 1 111 111 SER CA C 111 55.637 55.637 58.179 -2.542 19431 7534 1 18 . 1 1 111 111 SER CB C 111 61.288 61.288 64.495 -3.207 19431 7535 1 18 . 1 1 112 112 PHE N N 112 126.988 126.988 126.924 0.064 19431 7536 1 18 . 1 1 112 112 PHE HA H 112 4.991 4.991 4.744 0.247 19431 7537 1 18 . 1 1 112 112 PHE CA C 112 55.305 55.305 57.715 -2.410 19431 7538 1 18 . 1 1 112 112 PHE CB C 112 40.128 40.128 40.535 -0.407 19431 7539 1 18 . 1 1 113 113 THR N N 113 120.333 120.333 122.190 -1.857 19431 7540 1 18 . 1 1 113 113 THR HA H 113 4.775 4.775 4.489 0.286 19431 7541 1 18 . 1 1 113 113 THR CA C 113 57.888 57.888 60.194 -2.307 19431 7542 1 18 . 1 1 113 113 THR CB C 113 69.193 69.193 71.718 -2.525 19431 7543 1 19 . 1 1 2 2 GLU HA H 2 4.446 4.446 4.666 -0.220 19431 7544 1 19 . 1 1 2 2 GLU CA C 2 53.359 53.359 54.920 -1.561 19431 7545 1 19 . 1 1 2 2 GLU CB C 2 29.108 29.108 31.511 -2.403 19431 7546 1 19 . 1 1 3 3 ILE N N 3 123.144 123.144 120.458 2.686 19431 7547 1 19 . 1 1 3 3 ILE HA H 3 4.358 4.358 5.009 -0.651 19431 7548 1 19 . 1 1 3 3 ILE CA C 3 57.727 57.727 58.954 -1.227 19431 7549 1 19 . 1 1 3 3 ILE CB C 3 35.665 35.665 38.614 -2.949 19431 7550 1 19 . 1 1 4 4 LEU N N 4 127.461 127.461 127.396 0.065 19431 7551 1 19 . 1 1 4 4 LEU HA H 4 4.554 4.554 4.604 -0.050 19431 7552 1 19 . 1 1 4 4 LEU CA C 4 51.011 51.011 54.049 -3.038 19431 7553 1 19 . 1 1 4 4 LEU CB C 4 41.209 41.209 42.427 -1.218 19431 7554 1 19 . 1 1 5 5 LYS N N 5 121.611 121.611 120.833 0.778 19431 7555 1 19 . 1 1 5 5 LYS HA H 5 4.436 4.436 4.264 0.172 19431 7556 1 19 . 1 1 5 5 LYS CA C 5 53.150 53.150 56.898 -3.748 19431 7557 1 19 . 1 1 5 5 LYS CB C 5 29.359 29.359 32.139 -2.780 19431 7558 1 19 . 1 1 6 6 GLU N N 6 115.825 115.825 115.290 0.535 19431 7559 1 19 . 1 1 6 6 GLU HA H 6 4.269 4.269 4.686 -0.417 19431 7560 1 19 . 1 1 6 6 GLU CA C 6 51.331 51.331 54.831 -3.501 19431 7561 1 19 . 1 1 6 6 GLU CB C 6 29.583 29.583 31.805 -2.222 19431 7562 1 19 . 1 1 7 7 LEU N N 7 118.967 118.967 122.165 -3.198 19431 7563 1 19 . 1 1 7 7 LEU HA H 7 4.311 4.311 4.778 -0.467 19431 7564 1 19 . 1 1 7 7 LEU CA C 7 50.182 50.182 52.772 -2.590 19431 7565 1 19 . 1 1 7 7 LEU CB C 7 39.422 39.422 41.263 -1.841 19431 7566 1 19 . 1 1 8 8 PRO HA H 8 4.432 4.432 4.438 -0.006 19431 7567 1 19 . 1 1 8 8 PRO CA C 8 59.119 59.119 62.353 -3.234 19431 7568 1 19 . 1 1 8 8 PRO CB C 8 29.306 29.306 32.346 -3.040 19431 7569 1 19 . 1 1 9 9 GLU N N 9 121.059 121.059 119.015 2.044 19431 7570 1 19 . 1 1 9 9 GLU HA H 9 4.033 4.033 4.048 -0.015 19431 7571 1 19 . 1 1 9 9 GLU CA C 9 55.281 55.281 57.620 -2.339 19431 7572 1 19 . 1 1 9 9 GLU CB C 9 26.864 26.864 29.265 -2.401 19431 7573 1 19 . 1 1 10 10 GLY N N 10 112.279 112.279 111.112 1.167 19431 7574 1 19 . 1 1 10 10 GLY CA C 10 42.029 42.029 44.505 -2.476 19431 7575 1 19 . 1 1 11 11 PHE N N 11 117.612 117.612 119.074 -1.462 19431 7576 1 19 . 1 1 11 11 PHE HA H 11 4.660 4.660 4.756 -0.096 19431 7577 1 19 . 1 1 11 11 PHE CA C 11 54.280 54.280 55.926 -1.646 19431 7578 1 19 . 1 1 11 11 PHE CB C 11 39.721 39.721 40.464 -0.743 19431 7579 1 19 . 1 1 12 12 ASP N N 12 121.568 121.568 120.485 1.083 19431 7580 1 19 . 1 1 12 12 ASP HA H 12 4.875 4.875 4.849 0.026 19431 7581 1 19 . 1 1 12 12 ASP CA C 12 49.676 49.676 53.206 -3.530 19431 7582 1 19 . 1 1 12 12 ASP CB C 12 42.307 42.307 42.545 -0.239 19431 7583 1 19 . 1 1 13 13 LYS N N 13 125.770 125.770 124.657 1.113 19431 7584 1 19 . 1 1 13 13 LYS HA H 13 3.294 3.294 3.332 -0.038 19431 7585 1 19 . 1 1 13 13 LYS CA C 13 58.046 58.046 59.278 -1.232 19431 7586 1 19 . 1 1 13 13 LYS CB C 13 30.216 30.216 32.192 -1.976 19431 7587 1 19 . 1 1 14 14 GLU N N 14 118.590 118.590 118.748 -0.158 19431 7588 1 19 . 1 1 14 14 GLU HA H 14 4.090 4.090 4.217 -0.127 19431 7589 1 19 . 1 1 14 14 GLU CA C 14 56.364 56.364 58.958 -2.594 19431 7590 1 19 . 1 1 14 14 GLU CB C 14 26.479 26.479 29.295 -2.816 19431 7591 1 19 . 1 1 15 15 THR N N 15 118.372 118.372 117.827 0.545 19431 7592 1 19 . 1 1 15 15 THR HA H 15 3.737 3.737 4.015 -0.278 19431 7593 1 19 . 1 1 15 15 THR CA C 15 63.974 63.974 66.974 -3.000 19431 7594 1 19 . 1 1 15 15 THR CB C 15 65.565 65.565 68.562 -2.997 19431 7595 1 19 . 1 1 16 16 VAL N N 16 121.083 121.083 121.052 0.031 19431 7596 1 19 . 1 1 16 16 VAL HA H 16 3.329 3.329 3.389 -0.060 19431 7597 1 19 . 1 1 16 16 VAL CA C 16 64.214 64.214 66.599 -2.385 19431 7598 1 19 . 1 1 16 16 VAL CB C 16 29.011 29.011 31.480 -2.469 19431 7599 1 19 . 1 1 17 17 ARG N N 17 119.409 119.409 119.900 -0.491 19431 7600 1 19 . 1 1 17 17 ARG HA H 17 3.737 3.737 3.957 -0.220 19431 7601 1 19 . 1 1 17 17 ARG CA C 17 58.049 58.049 59.921 -1.872 19431 7602 1 19 . 1 1 17 17 ARG CB C 17 27.401 27.401 30.175 -2.775 19431 7603 1 19 . 1 1 18 18 LYS N N 18 116.168 116.168 119.834 -3.666 19431 7604 1 19 . 1 1 18 18 LYS HA H 18 3.800 3.800 3.963 -0.163 19431 7605 1 19 . 1 1 18 18 LYS CA C 18 57.031 57.031 59.398 -2.367 19431 7606 1 19 . 1 1 18 18 LYS CB C 18 29.801 29.801 32.141 -2.340 19431 7607 1 19 . 1 1 19 19 GLN N N 19 120.008 120.008 116.924 3.084 19431 7608 1 19 . 1 1 19 19 GLN HA H 19 3.767 3.767 4.222 -0.455 19431 7609 1 19 . 1 1 19 19 GLN CA C 19 54.492 54.492 58.792 -4.300 19431 7610 1 19 . 1 1 19 19 GLN CB C 19 26.490 26.490 28.218 -1.728 19431 7611 1 19 . 1 1 20 20 ALA N N 20 122.405 122.405 122.589 -0.184 19431 7612 1 19 . 1 1 20 20 ALA HA H 20 4.404 4.404 4.409 -0.005 19431 7613 1 19 . 1 1 20 20 ALA CA C 20 52.036 52.036 54.681 -2.645 19431 7614 1 19 . 1 1 20 20 ALA CB C 20 16.407 16.407 18.462 -2.055 19431 7615 1 19 . 1 1 21 21 MET N N 21 115.042 115.042 115.601 -0.559 19431 7616 1 19 . 1 1 21 21 MET HA H 21 3.354 3.354 3.822 -0.468 19431 7617 1 19 . 1 1 21 21 MET CA C 21 56.861 56.861 58.965 -2.104 19431 7618 1 19 . 1 1 21 21 MET CB C 21 30.538 30.538 32.537 -1.999 19431 7619 1 19 . 1 1 22 22 GLU N N 22 118.882 118.882 119.050 -0.168 19431 7620 1 19 . 1 1 22 22 GLU HA H 22 3.923 3.923 4.228 -0.305 19431 7621 1 19 . 1 1 22 22 GLU CA C 22 56.675 56.675 58.564 -1.889 19431 7622 1 19 . 1 1 22 22 GLU CB C 22 26.613 26.613 30.183 -3.570 19431 7623 1 19 . 1 1 23 23 ASP N N 23 122.549 122.549 120.739 1.810 19431 7624 1 19 . 1 1 23 23 ASP HA H 23 4.658 4.658 4.493 0.165 19431 7625 1 19 . 1 1 23 23 ASP CA C 23 55.053 55.053 57.518 -2.465 19431 7626 1 19 . 1 1 23 23 ASP CB C 23 37.479 37.479 40.621 -3.143 19431 7627 1 19 . 1 1 24 24 ILE N N 24 123.580 123.580 119.172 4.408 19431 7628 1 19 . 1 1 24 24 ILE HA H 24 3.678 3.678 3.366 0.312 19431 7629 1 19 . 1 1 24 24 ILE CA C 24 63.201 63.201 65.034 -1.833 19431 7630 1 19 . 1 1 24 24 ILE CB C 24 35.138 35.138 37.444 -2.306 19431 7631 1 19 . 1 1 25 25 GLU N N 25 120.591 120.591 119.258 1.333 19431 7632 1 19 . 1 1 25 25 GLU HA H 25 3.885 3.885 4.065 -0.180 19431 7633 1 19 . 1 1 25 25 GLU CA C 25 57.824 57.824 59.243 -1.419 19431 7634 1 19 . 1 1 25 25 GLU CB C 25 25.883 25.883 29.536 -3.653 19431 7635 1 19 . 1 1 26 26 ILE N N 26 121.350 121.350 119.257 2.093 19431 7636 1 19 . 1 1 26 26 ILE HA H 26 3.718 3.718 3.935 -0.217 19431 7637 1 19 . 1 1 26 26 ILE CA C 26 62.881 62.881 62.390 0.491 19431 7638 1 19 . 1 1 26 26 ILE CB C 26 35.324 35.324 36.563 -1.239 19431 7639 1 19 . 1 1 27 27 ALA N N 27 120.204 120.204 122.894 -2.690 19431 7640 1 19 . 1 1 28 28 GLN N N 28 114.627 114.627 117.429 -2.802 19431 7641 1 19 . 1 1 28 28 GLN CB C 28 26.380 26.380 28.872 -2.492 19431 7642 1 19 . 1 1 29 29 SER N N 29 115.031 115.031 112.832 2.199 19431 7643 1 19 . 1 1 29 29 SER HA H 29 4.260 4.260 4.501 -0.241 19431 7644 1 19 . 1 1 29 29 SER CA C 29 57.768 57.768 58.241 -0.473 19431 7645 1 19 . 1 1 29 29 SER CB C 29 61.367 61.367 63.493 -2.126 19431 7646 1 19 . 1 1 30 30 LYS N N 30 112.834 112.834 119.980 -7.146 19431 7647 1 19 . 1 1 30 30 LYS HA H 30 4.228 4.228 3.737 0.490 19431 7648 1 19 . 1 1 30 30 LYS CA C 30 56.103 56.103 57.263 -1.160 19431 7649 1 19 . 1 1 30 30 LYS CB C 30 26.478 26.478 29.922 -3.444 19431 7650 1 19 . 1 1 31 31 ASP N N 31 121.067 121.067 119.619 1.448 19431 7651 1 19 . 1 1 31 31 ASP HA H 31 4.877 4.877 4.191 0.686 19431 7652 1 19 . 1 1 31 31 ASP CA C 31 49.742 49.742 52.508 -2.766 19431 7653 1 19 . 1 1 31 31 ASP CB C 31 38.652 38.652 42.893 -4.241 19431 7654 1 19 . 1 1 32 32 TYR N N 32 126.671 126.671 121.413 5.258 19431 7655 1 19 . 1 1 32 32 TYR HA H 32 3.311 3.311 4.909 -1.598 19431 7656 1 19 . 1 1 32 32 TYR CA C 32 57.951 57.951 58.020 -0.069 19431 7657 1 19 . 1 1 32 32 TYR CB C 32 36.158 36.158 39.390 -3.232 19431 7658 1 19 . 1 1 33 33 GLU N N 33 115.884 115.884 119.201 -3.317 19431 7659 1 19 . 1 1 33 33 GLU HA H 33 3.442 3.442 4.524 -1.082 19431 7660 1 19 . 1 1 33 33 GLU CA C 33 56.757 56.757 57.381 -0.624 19431 7661 1 19 . 1 1 33 33 GLU CB C 33 26.095 26.095 31.259 -5.163 19431 7662 1 19 . 1 1 34 34 SER N N 34 116.060 116.060 116.811 -0.751 19431 7663 1 19 . 1 1 34 34 SER HA H 34 4.026 4.026 4.383 -0.357 19431 7664 1 19 . 1 1 34 34 SER CA C 34 58.953 58.953 61.717 -2.764 19431 7665 1 19 . 1 1 34 34 SER CB C 34 59.683 59.683 63.242 -3.559 19431 7666 1 19 . 1 1 35 35 TRP N N 35 123.977 123.977 122.142 1.835 19431 7667 1 19 . 1 1 35 35 TRP CA C 35 57.894 57.894 61.501 -3.607 19431 7668 1 19 . 1 1 35 35 TRP CB C 35 25.531 25.531 29.674 -4.143 19431 7669 1 19 . 1 1 36 36 LYS N N 36 117.633 117.633 117.281 0.352 19431 7670 1 19 . 1 1 36 36 LYS HA H 36 3.128 3.128 3.879 -0.751 19431 7671 1 19 . 1 1 36 36 LYS CA C 36 55.998 55.998 59.657 -3.659 19431 7672 1 19 . 1 1 36 36 LYS CB C 36 29.304 29.304 32.304 -3.000 19431 7673 1 19 . 1 1 37 37 SER N N 37 109.835 109.835 114.226 -4.391 19431 7674 1 19 . 1 1 37 37 SER HA H 37 3.989 3.989 4.267 -0.278 19431 7675 1 19 . 1 1 37 37 SER CA C 37 57.765 57.765 60.861 -3.096 19431 7676 1 19 . 1 1 37 37 SER CB C 37 60.606 60.606 62.850 -2.244 19431 7677 1 19 . 1 1 38 38 ARG N N 38 119.946 119.946 119.267 0.679 19431 7678 1 19 . 1 1 38 38 ARG HA H 38 4.144 4.144 4.230 -0.086 19431 7679 1 19 . 1 1 38 38 ARG CA C 38 51.208 51.208 56.513 -5.305 19431 7680 1 19 . 1 1 38 38 ARG CB C 38 25.717 25.717 30.590 -4.873 19431 7681 1 19 . 1 1 39 39 PHE N N 39 117.529 117.529 116.440 1.089 19431 7682 1 19 . 1 1 39 39 PHE HA H 39 4.855 4.855 4.642 0.213 19431 7683 1 19 . 1 1 39 39 PHE CA C 39 54.234 54.234 57.412 -3.178 19431 7684 1 19 . 1 1 39 39 PHE CB C 39 37.547 37.547 40.850 -3.303 19431 7685 1 19 . 1 1 40 40 THR N N 40 113.296 113.296 113.016 0.280 19431 7686 1 19 . 1 1 40 40 THR HA H 40 3.991 3.991 4.357 -0.366 19431 7687 1 19 . 1 1 40 40 THR CA C 40 59.704 59.704 61.298 -1.595 19431 7688 1 19 . 1 1 40 40 THR CB C 40 66.175 66.175 70.213 -4.038 19431 7689 1 19 . 1 1 41 41 LYS N N 41 124.924 124.924 121.047 3.877 19431 7690 1 19 . 1 1 41 41 LYS HA H 41 3.713 3.713 4.003 -0.290 19431 7691 1 19 . 1 1 41 41 LYS CA C 41 57.650 57.650 59.613 -1.963 19431 7692 1 19 . 1 1 41 41 LYS CB C 41 29.363 29.363 31.767 -2.404 19431 7693 1 19 . 1 1 42 42 ASP N N 42 116.255 116.255 119.783 -3.528 19431 7694 1 19 . 1 1 42 42 ASP HA H 42 4.343 4.343 4.495 -0.152 19431 7695 1 19 . 1 1 42 42 ASP CA C 42 53.841 53.841 57.021 -3.180 19431 7696 1 19 . 1 1 42 42 ASP CB C 42 37.703 37.703 41.023 -3.320 19431 7697 1 19 . 1 1 43 43 LEU N N 43 119.134 119.134 120.428 -1.294 19431 7698 1 19 . 1 1 43 43 LEU HA H 43 4.320 4.320 4.053 0.267 19431 7699 1 19 . 1 1 43 43 LEU CA C 43 52.423 52.423 57.799 -5.376 19431 7700 1 19 . 1 1 43 43 LEU CB C 43 40.023 40.023 41.922 -1.899 19431 7701 1 19 . 1 1 44 44 GLN N N 44 119.455 119.455 118.668 0.787 19431 7702 1 19 . 1 1 44 44 GLN HA H 44 3.466 3.466 3.843 -0.377 19431 7703 1 19 . 1 1 44 44 GLN CA C 44 57.437 57.437 59.197 -1.760 19431 7704 1 19 . 1 1 44 44 GLN CB C 44 25.394 25.394 28.545 -3.151 19431 7705 1 19 . 1 1 45 45 SER N N 45 110.605 110.605 111.778 -1.173 19431 7706 1 19 . 1 1 45 45 SER HA H 45 4.211 4.211 4.410 -0.199 19431 7707 1 19 . 1 1 45 45 SER CA C 45 57.621 57.621 59.345 -1.724 19431 7708 1 19 . 1 1 45 45 SER CB C 45 60.094 60.094 63.237 -3.143 19431 7709 1 19 . 1 1 46 46 SER N N 46 115.075 115.075 115.388 -0.313 19431 7710 1 19 . 1 1 46 46 SER HA H 46 4.473 4.473 4.547 -0.074 19431 7711 1 19 . 1 1 46 46 SER CA C 46 55.739 55.739 58.267 -2.528 19431 7712 1 19 . 1 1 46 46 SER CB C 46 61.628 61.628 64.686 -3.058 19431 7713 1 19 . 1 1 47 47 LEU N N 47 124.984 124.984 123.801 1.183 19431 7714 1 19 . 1 1 47 47 LEU HA H 47 4.334 4.334 4.128 0.206 19431 7715 1 19 . 1 1 47 47 LEU CA C 47 52.040 52.040 55.626 -3.586 19431 7716 1 19 . 1 1 47 47 LEU CB C 47 39.810 39.810 42.340 -2.530 19431 7717 1 19 . 1 1 48 48 THR N N 48 111.152 111.152 112.013 -0.861 19431 7718 1 19 . 1 1 48 48 THR HA H 48 4.665 4.665 4.594 0.071 19431 7719 1 19 . 1 1 48 48 THR CA C 48 56.718 56.718 60.449 -3.731 19431 7720 1 19 . 1 1 48 48 THR CB C 48 69.103 69.103 71.294 -2.191 19431 7721 1 19 . 1 1 49 49 GLU N N 49 124.552 124.552 122.995 1.557 19431 7722 1 19 . 1 1 49 49 GLU HA H 49 3.194 3.194 4.382 -1.188 19431 7723 1 19 . 1 1 49 49 GLU CA C 49 56.770 56.770 59.632 -2.862 19431 7724 1 19 . 1 1 49 49 GLU CB C 49 26.148 26.148 29.831 -3.683 19431 7725 1 19 . 1 1 50 50 GLU N N 50 118.615 118.615 118.817 -0.202 19431 7726 1 19 . 1 1 50 50 GLU HA H 50 4.000 4.000 4.167 -0.167 19431 7727 1 19 . 1 1 50 50 GLU CA C 50 57.357 57.357 58.511 -1.154 19431 7728 1 19 . 1 1 50 50 GLU CB C 50 26.511 26.511 29.187 -2.676 19431 7729 1 19 . 1 1 51 51 SER N N 51 116.380 116.380 115.768 0.612 19431 7730 1 19 . 1 1 51 51 SER HA H 51 4.256 4.256 4.282 -0.026 19431 7731 1 19 . 1 1 51 51 SER CA C 51 58.825 58.825 60.943 -2.118 19431 7732 1 19 . 1 1 51 51 SER CB C 51 59.884 59.884 62.710 -2.826 19431 7733 1 19 . 1 1 52 52 TYR N N 52 125.611 125.611 118.913 6.698 19431 7734 1 19 . 1 1 52 52 TYR CB C 52 36.647 36.647 38.358 -1.711 19431 7735 1 19 . 1 1 53 53 ASP N N 53 119.653 119.653 119.004 0.649 19431 7736 1 19 . 1 1 53 53 ASP HA H 53 4.115 4.115 4.124 -0.009 19431 7737 1 19 . 1 1 53 53 ASP CA C 53 54.553 54.553 57.578 -3.025 19431 7738 1 19 . 1 1 53 53 ASP CB C 53 37.477 37.477 40.696 -3.219 19431 7739 1 19 . 1 1 54 54 SER N N 54 114.883 114.883 114.641 0.242 19431 7740 1 19 . 1 1 54 54 SER HA H 54 3.946 3.946 4.179 -0.233 19431 7741 1 19 . 1 1 54 54 SER CA C 54 59.741 59.741 61.416 -1.675 19431 7742 1 19 . 1 1 54 54 SER CB C 54 59.750 59.750 63.361 -3.611 19431 7743 1 19 . 1 1 55 55 TYR N N 55 123.933 123.933 117.273 6.660 19431 7744 1 19 . 1 1 55 55 TYR HA H 55 4.361 4.361 4.664 -0.303 19431 7745 1 19 . 1 1 55 55 TYR CA C 55 57.213 57.213 57.483 -0.269 19431 7746 1 19 . 1 1 55 55 TYR CB C 55 34.024 34.024 37.771 -3.747 19431 7747 1 19 . 1 1 56 56 LEU N N 56 119.758 119.758 123.017 -3.259 19431 7748 1 19 . 1 1 56 56 LEU HA H 56 3.252 3.252 3.917 -0.665 19431 7749 1 19 . 1 1 56 56 LEU CA C 56 54.681 54.681 58.150 -3.469 19431 7750 1 19 . 1 1 56 56 LEU CB C 56 38.151 38.151 41.194 -3.043 19431 7751 1 19 . 1 1 57 57 LYS N N 57 118.487 118.487 118.506 -0.019 19431 7752 1 19 . 1 1 57 57 LYS HA H 57 3.852 3.852 4.022 -0.170 19431 7753 1 19 . 1 1 57 57 LYS CA C 57 56.090 56.090 59.467 -3.377 19431 7754 1 19 . 1 1 57 57 LYS CB C 57 29.683 29.683 32.163 -2.480 19431 7755 1 19 . 1 1 58 58 ILE N N 58 120.887 120.887 119.978 0.909 19431 7756 1 19 . 1 1 58 58 ILE HA H 58 3.591 3.591 3.870 -0.279 19431 7757 1 19 . 1 1 58 58 ILE CA C 58 61.366 61.366 63.926 -2.560 19431 7758 1 19 . 1 1 58 58 ILE CB C 58 35.144 35.144 38.029 -2.885 19431 7759 1 19 . 1 1 59 59 LEU N N 59 122.273 122.273 120.877 1.396 19431 7760 1 19 . 1 1 59 59 LEU HA H 59 3.437 3.437 3.848 -0.411 19431 7761 1 19 . 1 1 59 59 LEU CA C 59 54.847 54.847 58.385 -3.538 19431 7762 1 19 . 1 1 59 59 LEU CB C 59 39.071 39.071 41.614 -2.543 19431 7763 1 19 . 1 1 60 60 GLU N N 60 118.591 118.591 118.927 -0.336 19431 7764 1 19 . 1 1 60 60 GLU HA H 60 3.810 3.810 3.962 -0.152 19431 7765 1 19 . 1 1 60 60 GLU CA C 60 56.156 56.156 59.542 -3.386 19431 7766 1 19 . 1 1 60 60 GLU CB C 60 26.820 26.820 29.619 -2.799 19431 7767 1 19 . 1 1 61 61 LYS N N 61 115.698 115.698 115.630 0.068 19431 7768 1 19 . 1 1 61 61 LYS HA H 61 4.029 4.029 4.458 -0.429 19431 7769 1 19 . 1 1 61 61 LYS CA C 61 54.164 54.164 56.886 -2.722 19431 7770 1 19 . 1 1 61 61 LYS CB C 61 29.581 29.581 31.965 -2.384 19431 7771 1 19 . 1 1 62 62 GLN N N 62 114.863 114.863 118.520 -3.657 19431 7772 1 19 . 1 1 62 62 GLN HA H 62 3.851 3.851 4.398 -0.547 19431 7773 1 19 . 1 1 62 62 GLN CA C 62 52.258 52.258 55.453 -3.195 19431 7774 1 19 . 1 1 62 62 GLN CB C 62 25.186 25.186 29.344 -4.158 19431 7775 1 19 . 1 1 63 63 GLY N N 63 101.724 101.724 107.421 -5.697 19431 7776 1 19 . 1 1 63 63 GLY CA C 63 41.815 41.815 44.876 -3.061 19431 7777 1 19 . 1 1 64 64 GLU N N 64 118.731 118.731 121.311 -2.580 19431 7778 1 19 . 1 1 64 64 GLU HA H 64 4.137 4.137 4.596 -0.459 19431 7779 1 19 . 1 1 64 64 GLU CA C 64 54.598 54.598 53.982 0.616 19431 7780 1 19 . 1 1 64 64 GLU CB C 64 28.312 28.312 32.565 -4.253 19431 7781 1 19 . 1 1 65 65 PHE N N 65 123.366 123.366 123.635 -0.269 19431 7782 1 19 . 1 1 65 65 PHE HA H 65 3.825 3.825 4.648 -0.823 19431 7783 1 19 . 1 1 65 65 PHE CA C 65 57.419 57.419 59.093 -1.674 19431 7784 1 19 . 1 1 65 65 PHE CB C 65 36.666 36.666 39.365 -2.699 19431 7785 1 19 . 1 1 66 66 LYS N N 66 125.336 125.336 127.099 -1.763 19431 7786 1 19 . 1 1 66 66 LYS HA H 66 4.168 4.168 4.093 0.075 19431 7787 1 19 . 1 1 66 66 LYS CA C 66 53.226 53.226 56.170 -2.944 19431 7788 1 19 . 1 1 66 66 LYS CB C 66 30.293 30.293 34.019 -3.726 19431 7789 1 19 . 1 1 67 67 GLU N N 67 112.076 112.076 115.622 -3.546 19431 7790 1 19 . 1 1 67 67 GLU HA H 67 4.069 4.069 3.943 0.126 19431 7791 1 19 . 1 1 67 67 GLU CA C 67 52.907 52.907 55.261 -2.354 19431 7792 1 19 . 1 1 67 67 GLU CB C 67 29.378 29.378 31.610 -2.232 19431 7793 1 19 . 1 1 68 68 PHE N N 68 118.706 118.706 117.869 0.837 19431 7794 1 19 . 1 1 68 68 PHE CB C 68 38.408 38.408 41.787 -3.379 19431 7795 1 19 . 1 1 69 69 GLY N N 69 112.889 112.889 109.430 3.459 19431 7796 1 19 . 1 1 69 69 GLY CA C 69 41.353 41.353 45.268 -3.915 19431 7797 1 19 . 1 1 70 70 LYS N N 70 122.409 122.409 120.256 2.153 19431 7798 1 19 . 1 1 70 70 LYS HA H 70 4.085 4.085 4.496 -0.411 19431 7799 1 19 . 1 1 70 70 LYS CA C 70 54.418 54.418 55.382 -0.964 19431 7800 1 19 . 1 1 70 70 LYS CB C 70 31.197 31.197 35.040 -3.843 19431 7801 1 19 . 1 1 71 71 CYS N N 71 118.509 118.509 124.930 -6.421 19431 7802 1 19 . 1 1 71 71 CYS HA H 71 5.332 5.332 4.830 0.502 19431 7803 1 19 . 1 1 71 71 CYS CA C 71 54.655 54.655 56.914 -2.260 19431 7804 1 19 . 1 1 71 71 CYS CB C 71 28.223 28.223 26.277 1.946 19431 7805 1 19 . 1 1 72 72 THR N N 72 120.129 120.129 121.816 -1.687 19431 7806 1 19 . 1 1 72 72 THR HA H 72 4.272 4.272 4.254 0.018 19431 7807 1 19 . 1 1 72 72 THR CA C 72 58.652 58.652 62.368 -3.716 19431 7808 1 19 . 1 1 72 72 THR CB C 72 68.199 68.199 69.858 -1.659 19431 7809 1 19 . 1 1 73 73 TYR N N 73 122.772 122.772 122.807 -0.035 19431 7810 1 19 . 1 1 73 73 TYR HA H 73 5.034 5.034 5.284 -0.250 19431 7811 1 19 . 1 1 73 73 TYR CA C 73 55.497 55.497 56.682 -1.185 19431 7812 1 19 . 1 1 73 73 TYR CB C 73 38.271 38.271 41.322 -3.051 19431 7813 1 19 . 1 1 74 74 LEU N N 74 117.980 117.980 116.447 1.533 19431 7814 1 19 . 1 1 74 74 LEU HA H 74 4.466 4.466 5.278 -0.812 19431 7815 1 19 . 1 1 74 74 LEU CA C 74 51.805 51.805 53.642 -1.837 19431 7816 1 19 . 1 1 74 74 LEU CB C 74 42.030 42.030 46.250 -4.220 19431 7817 1 19 . 1 1 75 75 GLY N N 75 105.257 105.257 106.775 -1.518 19431 7818 1 19 . 1 1 75 75 GLY CA C 75 42.799 42.799 44.907 -2.108 19431 7819 1 19 . 1 1 76 76 GLN N N 76 119.071 119.071 124.901 -5.830 19431 7820 1 19 . 1 1 76 76 GLN HA H 76 4.938 4.938 4.797 0.141 19431 7821 1 19 . 1 1 76 76 GLN CA C 76 52.495 52.495 54.115 -1.620 19431 7822 1 19 . 1 1 76 76 GLN CB C 76 30.498 30.498 31.121 -0.623 19431 7823 1 19 . 1 1 77 77 ILE N N 77 123.550 123.550 127.177 -3.627 19431 7824 1 19 . 1 1 77 77 ILE HA H 77 4.992 4.992 4.893 0.099 19431 7825 1 19 . 1 1 77 77 ILE CA C 77 57.239 57.239 60.615 -3.376 19431 7826 1 19 . 1 1 77 77 ILE CB C 77 36.664 36.664 38.527 -1.863 19431 7827 1 19 . 1 1 78 78 LYS N N 78 127.532 127.532 129.123 -1.591 19431 7828 1 19 . 1 1 78 78 LYS HA H 78 4.585 4.585 4.711 -0.126 19431 7829 1 19 . 1 1 78 78 LYS CA C 78 52.768 52.768 55.498 -2.730 19431 7830 1 19 . 1 1 78 78 LYS CB C 78 32.536 32.536 33.078 -0.542 19431 7831 1 19 . 1 1 79 79 ASP N N 79 128.019 128.019 127.670 0.349 19431 7832 1 19 . 1 1 79 79 ASP HA H 79 4.168 4.168 4.230 -0.062 19431 7833 1 19 . 1 1 79 79 ASP CA C 79 53.258 53.258 57.409 -4.151 19431 7834 1 19 . 1 1 79 79 ASP CB C 79 36.826 36.826 39.848 -3.022 19431 7835 1 19 . 1 1 80 80 ASN N N 80 110.608 110.608 117.108 -6.500 19431 7836 1 19 . 1 1 80 80 ASN HA H 80 4.168 4.168 4.886 -0.718 19431 7837 1 19 . 1 1 80 80 ASN CA C 80 51.912 51.912 53.320 -1.408 19431 7838 1 19 . 1 1 80 80 ASN CB C 80 35.506 35.506 41.043 -5.537 19431 7839 1 19 . 1 1 81 81 LYS N N 81 121.116 121.116 122.154 -1.038 19431 7840 1 19 . 1 1 81 81 LYS HA H 81 4.482 4.482 4.531 -0.049 19431 7841 1 19 . 1 1 81 81 LYS CA C 81 52.353 52.353 55.155 -2.802 19431 7842 1 19 . 1 1 81 81 LYS CB C 81 32.119 32.119 34.967 -2.848 19431 7843 1 19 . 1 1 82 82 LYS N N 82 119.259 119.259 122.778 -3.519 19431 7844 1 19 . 1 1 82 82 LYS HA H 82 4.765 4.765 4.874 -0.109 19431 7845 1 19 . 1 1 82 82 LYS CA C 82 52.722 52.722 55.353 -2.631 19431 7846 1 19 . 1 1 82 82 LYS CB C 82 32.934 32.934 35.354 -2.420 19431 7847 1 19 . 1 1 83 83 TYR N N 83 118.176 118.176 119.531 -1.355 19431 7848 1 19 . 1 1 83 83 TYR HA H 83 5.275 5.275 4.816 0.459 19431 7849 1 19 . 1 1 83 83 TYR CA C 83 53.383 53.383 56.598 -3.215 19431 7850 1 19 . 1 1 83 83 TYR CB C 83 38.026 38.026 42.962 -4.936 19431 7851 1 19 . 1 1 84 84 GLY N N 84 111.686 111.686 109.056 2.630 19431 7852 1 19 . 1 1 84 84 GLY CA C 84 41.219 41.219 42.985 -1.766 19431 7853 1 19 . 1 1 85 85 GLY N N 85 111.232 111.232 110.841 0.391 19431 7854 1 19 . 1 1 85 85 GLY CA C 85 42.272 42.272 43.285 -1.013 19431 7855 1 19 . 1 1 86 86 VAL N N 86 115.256 115.256 121.921 -6.665 19431 7856 1 19 . 1 1 86 86 VAL HA H 86 5.127 5.127 5.185 -0.058 19431 7857 1 19 . 1 1 86 86 VAL CA C 86 55.741 55.741 60.233 -4.492 19431 7858 1 19 . 1 1 86 86 VAL CB C 86 33.129 33.129 35.703 -2.574 19431 7859 1 19 . 1 1 87 87 ILE N N 87 125.124 125.124 130.914 -5.790 19431 7860 1 19 . 1 1 87 87 ILE HA H 87 5.206 5.206 4.632 0.574 19431 7861 1 19 . 1 1 87 87 ILE CA C 87 57.168 57.168 60.389 -3.220 19431 7862 1 19 . 1 1 87 87 ILE CB C 87 36.590 36.590 37.977 -1.387 19431 7863 1 19 . 1 1 88 88 ILE N N 88 128.056 128.056 128.838 -0.782 19431 7864 1 19 . 1 1 88 88 ILE HA H 88 5.146 5.146 4.812 0.334 19431 7865 1 19 . 1 1 88 88 ILE CA C 88 55.356 55.356 58.581 -3.225 19431 7866 1 19 . 1 1 88 88 ILE CB C 88 39.847 39.847 40.244 -0.397 19431 7867 1 19 . 1 1 89 89 VAL N N 89 128.326 128.326 127.901 0.425 19431 7868 1 19 . 1 1 89 89 VAL HA H 89 4.387 4.387 4.142 0.245 19431 7869 1 19 . 1 1 89 89 VAL CA C 89 59.839 59.839 62.594 -2.755 19431 7870 1 19 . 1 1 89 89 VAL CB C 89 30.295 30.295 32.571 -2.276 19431 7871 1 19 . 1 1 90 90 VAL N N 90 128.738 128.738 129.011 -0.273 19431 7872 1 19 . 1 1 90 90 VAL HA H 90 4.207 4.207 4.519 -0.311 19431 7873 1 19 . 1 1 90 90 VAL CA C 90 59.722 59.722 61.397 -1.675 19431 7874 1 19 . 1 1 90 90 VAL CB C 90 31.537 31.537 33.723 -2.186 19431 7875 1 19 . 1 1 91 91 LYS N N 91 126.004 126.004 127.110 -1.106 19431 7876 1 19 . 1 1 91 91 LYS HA H 91 4.629 4.629 4.601 0.028 19431 7877 1 19 . 1 1 91 91 LYS CA C 91 52.972 52.972 55.018 -2.046 19431 7878 1 19 . 1 1 91 91 LYS CB C 91 30.789 30.789 32.370 -1.581 19431 7879 1 19 . 1 1 92 92 TYR N N 92 123.932 123.932 124.199 -0.267 19431 7880 1 19 . 1 1 92 92 TYR HA H 92 4.940 4.940 4.748 0.192 19431 7881 1 19 . 1 1 92 92 TYR CA C 92 53.905 53.905 57.337 -3.432 19431 7882 1 19 . 1 1 92 92 TYR CB C 92 39.331 39.331 39.143 0.188 19431 7883 1 19 . 1 1 93 93 GLU N N 93 122.195 122.195 119.888 2.307 19431 7884 1 19 . 1 1 93 93 GLU HA H 93 3.834 3.834 4.106 -0.272 19431 7885 1 19 . 1 1 93 93 GLU CA C 93 57.465 57.465 59.095 -1.630 19431 7886 1 19 . 1 1 93 93 GLU CB C 93 28.695 28.695 30.006 -1.311 19431 7887 1 19 . 1 1 94 94 GLU N N 94 110.219 110.219 114.674 -4.455 19431 7888 1 19 . 1 1 94 94 GLU HA H 94 4.440 4.440 4.541 -0.101 19431 7889 1 19 . 1 1 94 94 GLU CA C 94 52.555 52.555 56.206 -3.651 19431 7890 1 19 . 1 1 94 94 GLU CB C 94 26.861 26.861 31.978 -5.117 19431 7891 1 19 . 1 1 95 95 GLY N N 95 106.566 106.566 108.904 -2.338 19431 7892 1 19 . 1 1 95 95 GLY CA C 95 42.542 42.542 44.413 -1.871 19431 7893 1 19 . 1 1 96 96 ASN N N 96 116.707 116.707 119.441 -2.734 19431 7894 1 19 . 1 1 96 96 ASN HA H 96 5.720 5.720 5.284 0.436 19431 7895 1 19 . 1 1 96 96 ASN CA C 96 49.003 49.003 51.959 -2.957 19431 7896 1 19 . 1 1 96 96 ASN CB C 96 37.602 37.602 41.125 -3.523 19431 7897 1 19 . 1 1 97 97 VAL N N 97 122.002 122.002 122.690 -0.688 19431 7898 1 19 . 1 1 97 97 VAL HA H 97 4.117 4.117 4.113 0.004 19431 7899 1 19 . 1 1 97 97 VAL CA C 97 58.404 58.404 60.458 -2.054 19431 7900 1 19 . 1 1 97 97 VAL CB C 97 33.456 33.456 33.046 0.410 19431 7901 1 19 . 1 1 98 98 ASN N N 98 124.376 124.376 127.753 -3.377 19431 7902 1 19 . 1 1 98 98 ASN HA H 98 5.135 5.135 4.839 0.296 19431 7903 1 19 . 1 1 98 98 ASN CA C 98 48.630 48.630 52.892 -4.262 19431 7904 1 19 . 1 1 98 98 ASN CB C 98 36.031 36.031 38.292 -2.261 19431 7905 1 19 . 1 1 99 99 TYR N N 99 123.932 123.932 125.309 -1.377 19431 7906 1 19 . 1 1 99 99 TYR HA H 99 4.640 4.640 4.274 0.366 19431 7907 1 19 . 1 1 99 99 TYR CA C 99 55.468 55.468 59.579 -4.111 19431 7908 1 19 . 1 1 99 99 TYR CB C 99 38.122 38.122 38.303 -0.181 19431 7909 1 19 . 1 1 100 100 SER N N 100 115.327 115.327 121.337 -6.010 19431 7910 1 19 . 1 1 100 100 SER HA H 100 5.242 5.242 4.815 0.427 19431 7911 1 19 . 1 1 100 100 SER CA C 100 53.767 53.767 58.239 -4.472 19431 7912 1 19 . 1 1 100 100 SER CB C 100 60.649 60.649 63.053 -2.404 19431 7913 1 19 . 1 1 101 101 LEU N N 101 130.521 130.521 127.708 2.813 19431 7914 1 19 . 1 1 101 101 LEU HA H 101 4.978 4.978 4.397 0.581 19431 7915 1 19 . 1 1 101 101 LEU CA C 101 51.756 51.756 53.487 -1.731 19431 7916 1 19 . 1 1 101 101 LEU CB C 101 42.765 42.765 42.974 -0.209 19431 7917 1 19 . 1 1 102 102 ALA N N 102 121.373 121.373 126.650 -5.277 19431 7918 1 19 . 1 1 102 102 ALA HA H 102 4.994 4.994 5.352 -0.358 19431 7919 1 19 . 1 1 102 102 ALA CA C 102 48.505 48.505 50.075 -1.569 19431 7920 1 19 . 1 1 102 102 ALA CB C 102 19.355 19.355 22.591 -3.236 19431 7921 1 19 . 1 1 103 103 TYR N N 103 120.633 120.633 120.350 0.283 19431 7922 1 19 . 1 1 103 103 TYR HA H 103 5.311 5.311 5.731 -0.420 19431 7923 1 19 . 1 1 103 103 TYR CA C 103 55.519 55.519 56.078 -0.559 19431 7924 1 19 . 1 1 103 103 TYR CB C 103 42.037 42.037 41.573 0.464 19431 7925 1 19 . 1 1 104 104 ASP N N 104 118.129 118.129 120.761 -2.632 19431 7926 1 19 . 1 1 104 104 ASP HA H 104 5.163 5.163 5.167 -0.004 19431 7927 1 19 . 1 1 104 104 ASP CA C 104 49.372 49.372 53.410 -4.038 19431 7928 1 19 . 1 1 104 104 ASP CB C 104 39.054 39.054 42.690 -3.636 19431 7929 1 19 . 1 1 105 105 GLU N N 105 115.031 115.031 118.690 -3.659 19431 7930 1 19 . 1 1 105 105 GLU HA H 105 3.624 3.624 4.355 -0.731 19431 7931 1 19 . 1 1 105 105 GLU CA C 105 55.976 55.976 58.758 -2.782 19431 7932 1 19 . 1 1 105 105 GLU CB C 105 27.111 27.111 29.788 -2.677 19431 7933 1 19 . 1 1 106 106 ASP N N 106 119.038 119.038 119.647 -0.609 19431 7934 1 19 . 1 1 107 107 MET N N 107 111.995 111.995 112.908 -0.913 19431 7935 1 19 . 1 1 107 107 MET HA H 107 4.343 4.343 4.358 -0.015 19431 7936 1 19 . 1 1 107 107 MET CA C 107 51.671 51.671 55.284 -3.613 19431 7937 1 19 . 1 1 107 107 MET CB C 107 21.629 21.629 34.531 -12.902 19431 7938 1 19 . 1 1 108 108 ASN N N 108 117.079 117.079 119.301 -2.222 19431 7939 1 19 . 1 1 108 108 ASN HA H 108 5.111 5.111 4.922 0.189 19431 7940 1 19 . 1 1 108 108 ASN CA C 108 49.519 49.519 52.632 -3.112 19431 7941 1 19 . 1 1 108 108 ASN CB C 108 37.221 37.221 39.353 -2.132 19431 7942 1 19 . 1 1 109 109 LEU N N 109 122.211 122.211 121.886 0.325 19431 7943 1 19 . 1 1 109 109 LEU HA H 109 4.020 4.020 3.966 0.054 19431 7944 1 19 . 1 1 109 109 LEU CA C 109 52.898 52.898 55.147 -2.249 19431 7945 1 19 . 1 1 109 109 LEU CB C 109 40.774 40.774 38.680 2.094 19431 7946 1 19 . 1 1 110 110 VAL N N 110 109.806 109.806 127.203 -17.397 19431 7947 1 19 . 1 1 110 110 VAL HA H 110 4.551 4.551 4.075 0.476 19431 7948 1 19 . 1 1 110 110 VAL CA C 110 57.276 57.276 62.964 -5.688 19431 7949 1 19 . 1 1 110 110 VAL CB C 110 30.242 30.242 32.860 -2.618 19431 7950 1 19 . 1 1 111 111 SER N N 111 113.487 113.487 115.097 -1.610 19431 7951 1 19 . 1 1 111 111 SER HA H 111 4.476 4.476 4.572 -0.096 19431 7952 1 19 . 1 1 111 111 SER CA C 111 55.637 55.637 58.038 -2.401 19431 7953 1 19 . 1 1 111 111 SER CB C 111 61.288 61.288 64.429 -3.141 19431 7954 1 19 . 1 1 112 112 PHE N N 112 126.988 126.988 126.551 0.437 19431 7955 1 19 . 1 1 112 112 PHE HA H 112 4.991 4.991 4.602 0.389 19431 7956 1 19 . 1 1 112 112 PHE CA C 112 55.305 55.305 57.054 -1.749 19431 7957 1 19 . 1 1 112 112 PHE CB C 112 40.128 40.128 41.320 -1.192 19431 7958 1 19 . 1 1 113 113 THR N N 113 120.333 120.333 120.859 -0.526 19431 7959 1 19 . 1 1 113 113 THR HA H 113 4.775 4.775 4.596 0.179 19431 7960 1 19 . 1 1 113 113 THR CA C 113 57.888 57.888 60.779 -2.891 19431 7961 1 19 . 1 1 113 113 THR CB C 113 69.193 69.193 71.837 -2.644 19431 7962 1 20 . 1 1 2 2 GLU HA H 2 4.446 4.446 4.573 -0.127 19431 7963 1 20 . 1 1 2 2 GLU CA C 2 53.359 53.359 55.214 -1.855 19431 7964 1 20 . 1 1 2 2 GLU CB C 2 29.108 29.108 31.311 -2.203 19431 7965 1 20 . 1 1 3 3 ILE N N 3 123.144 123.144 123.433 -0.289 19431 7966 1 20 . 1 1 3 3 ILE HA H 3 4.358 4.358 4.568 -0.210 19431 7967 1 20 . 1 1 3 3 ILE CA C 3 57.727 57.727 59.295 -1.568 19431 7968 1 20 . 1 1 3 3 ILE CB C 3 35.665 35.665 38.325 -2.660 19431 7969 1 20 . 1 1 4 4 LEU N N 4 127.461 127.461 126.713 0.748 19431 7970 1 20 . 1 1 4 4 LEU HA H 4 4.554 4.554 4.624 -0.070 19431 7971 1 20 . 1 1 4 4 LEU CA C 4 51.011 51.011 53.833 -2.822 19431 7972 1 20 . 1 1 4 4 LEU CB C 4 41.209 41.209 43.182 -1.973 19431 7973 1 20 . 1 1 5 5 LYS N N 5 121.611 121.611 120.953 0.658 19431 7974 1 20 . 1 1 5 5 LYS HA H 5 4.436 4.436 4.355 0.081 19431 7975 1 20 . 1 1 5 5 LYS CA C 5 53.150 53.150 56.182 -3.032 19431 7976 1 20 . 1 1 5 5 LYS CB C 5 29.359 29.359 32.014 -2.655 19431 7977 1 20 . 1 1 6 6 GLU N N 6 115.825 115.825 114.414 1.411 19431 7978 1 20 . 1 1 6 6 GLU HA H 6 4.269 4.269 4.583 -0.314 19431 7979 1 20 . 1 1 6 6 GLU CA C 6 51.331 51.331 54.651 -3.320 19431 7980 1 20 . 1 1 6 6 GLU CB C 6 29.583 29.583 31.307 -1.724 19431 7981 1 20 . 1 1 7 7 LEU N N 7 118.967 118.967 122.009 -3.042 19431 7982 1 20 . 1 1 7 7 LEU HA H 7 4.311 4.311 4.775 -0.464 19431 7983 1 20 . 1 1 7 7 LEU CA C 7 50.182 50.182 52.791 -2.609 19431 7984 1 20 . 1 1 7 7 LEU CB C 7 39.422 39.422 41.709 -2.288 19431 7985 1 20 . 1 1 8 8 PRO HA H 8 4.432 4.432 4.496 -0.064 19431 7986 1 20 . 1 1 8 8 PRO CA C 8 59.119 59.119 62.260 -3.141 19431 7987 1 20 . 1 1 8 8 PRO CB C 8 29.306 29.306 32.407 -3.101 19431 7988 1 20 . 1 1 9 9 GLU N N 9 121.059 121.059 118.784 2.275 19431 7989 1 20 . 1 1 9 9 GLU HA H 9 4.033 4.033 4.060 -0.027 19431 7990 1 20 . 1 1 9 9 GLU CA C 9 55.281 55.281 57.447 -2.166 19431 7991 1 20 . 1 1 9 9 GLU CB C 9 26.864 26.864 29.582 -2.718 19431 7992 1 20 . 1 1 10 10 GLY N N 10 112.279 112.279 110.588 1.691 19431 7993 1 20 . 1 1 10 10 GLY CA C 10 42.029 42.029 44.730 -2.701 19431 7994 1 20 . 1 1 11 11 PHE N N 11 117.612 117.612 118.327 -0.715 19431 7995 1 20 . 1 1 11 11 PHE HA H 11 4.660 4.660 4.756 -0.096 19431 7996 1 20 . 1 1 11 11 PHE CA C 11 54.280 54.280 55.941 -1.661 19431 7997 1 20 . 1 1 11 11 PHE CB C 11 39.721 39.721 40.724 -1.003 19431 7998 1 20 . 1 1 12 12 ASP N N 12 121.568 121.568 120.814 0.754 19431 7999 1 20 . 1 1 12 12 ASP HA H 12 4.875 4.875 4.888 -0.013 19431 8000 1 20 . 1 1 12 12 ASP CA C 12 49.676 49.676 53.069 -3.393 19431 8001 1 20 . 1 1 12 12 ASP CB C 12 42.307 42.307 42.360 -0.053 19431 8002 1 20 . 1 1 13 13 LYS N N 13 125.770 125.770 124.401 1.369 19431 8003 1 20 . 1 1 13 13 LYS HA H 13 3.294 3.294 3.399 -0.105 19431 8004 1 20 . 1 1 13 13 LYS CA C 13 58.046 58.046 59.342 -1.296 19431 8005 1 20 . 1 1 13 13 LYS CB C 13 30.216 30.216 32.475 -2.259 19431 8006 1 20 . 1 1 14 14 GLU N N 14 118.590 118.590 118.315 0.275 19431 8007 1 20 . 1 1 14 14 GLU HA H 14 4.090 4.090 4.333 -0.243 19431 8008 1 20 . 1 1 14 14 GLU CA C 14 56.364 56.364 58.397 -2.033 19431 8009 1 20 . 1 1 14 14 GLU CB C 14 26.479 26.479 29.398 -2.919 19431 8010 1 20 . 1 1 15 15 THR N N 15 118.372 118.372 117.870 0.502 19431 8011 1 20 . 1 1 15 15 THR HA H 15 3.737 3.737 3.961 -0.224 19431 8012 1 20 . 1 1 15 15 THR CA C 15 63.974 63.974 66.391 -2.417 19431 8013 1 20 . 1 1 15 15 THR CB C 15 65.565 65.565 68.699 -3.134 19431 8014 1 20 . 1 1 16 16 VAL N N 16 121.083 121.083 120.792 0.291 19431 8015 1 20 . 1 1 16 16 VAL HA H 16 3.329 3.329 3.413 -0.084 19431 8016 1 20 . 1 1 16 16 VAL CA C 16 64.214 64.214 66.113 -1.899 19431 8017 1 20 . 1 1 16 16 VAL CB C 16 29.011 29.011 30.894 -1.883 19431 8018 1 20 . 1 1 17 17 ARG N N 17 119.409 119.409 119.428 -0.019 19431 8019 1 20 . 1 1 17 17 ARG HA H 17 3.737 3.737 3.996 -0.259 19431 8020 1 20 . 1 1 17 17 ARG CA C 17 58.049 58.049 59.952 -1.903 19431 8021 1 20 . 1 1 17 17 ARG CB C 17 27.401 27.401 30.220 -2.819 19431 8022 1 20 . 1 1 18 18 LYS N N 18 116.168 116.168 117.046 -0.878 19431 8023 1 20 . 1 1 18 18 LYS HA H 18 3.800 3.800 4.043 -0.243 19431 8024 1 20 . 1 1 18 18 LYS CA C 18 57.031 57.031 59.048 -2.017 19431 8025 1 20 . 1 1 18 18 LYS CB C 18 29.801 29.801 32.250 -2.449 19431 8026 1 20 . 1 1 19 19 GLN N N 19 120.008 120.008 117.253 2.755 19431 8027 1 20 . 1 1 19 19 GLN HA H 19 3.767 3.767 4.227 -0.460 19431 8028 1 20 . 1 1 19 19 GLN CA C 19 54.492 54.492 57.142 -2.650 19431 8029 1 20 . 1 1 19 19 GLN CB C 19 26.490 26.490 28.729 -2.239 19431 8030 1 20 . 1 1 20 20 ALA N N 20 122.405 122.405 122.543 -0.138 19431 8031 1 20 . 1 1 20 20 ALA HA H 20 4.404 4.404 4.423 -0.019 19431 8032 1 20 . 1 1 20 20 ALA CA C 20 52.036 52.036 54.661 -2.625 19431 8033 1 20 . 1 1 20 20 ALA CB C 20 16.407 16.407 18.731 -2.324 19431 8034 1 20 . 1 1 21 21 MET N N 21 115.042 115.042 117.648 -2.606 19431 8035 1 20 . 1 1 21 21 MET HA H 21 3.354 3.354 3.526 -0.172 19431 8036 1 20 . 1 1 21 21 MET CA C 21 56.861 56.861 59.208 -2.347 19431 8037 1 20 . 1 1 21 21 MET CB C 21 30.538 30.538 32.090 -1.552 19431 8038 1 20 . 1 1 22 22 GLU N N 22 118.882 118.882 118.219 0.663 19431 8039 1 20 . 1 1 22 22 GLU HA H 22 3.923 3.923 4.117 -0.194 19431 8040 1 20 . 1 1 22 22 GLU CA C 22 56.675 56.675 58.728 -2.053 19431 8041 1 20 . 1 1 22 22 GLU CB C 22 26.613 26.613 28.997 -2.384 19431 8042 1 20 . 1 1 23 23 ASP N N 23 122.549 122.549 120.667 1.882 19431 8043 1 20 . 1 1 23 23 ASP HA H 23 4.658 4.658 4.446 0.212 19431 8044 1 20 . 1 1 23 23 ASP CA C 23 55.053 55.053 57.187 -2.134 19431 8045 1 20 . 1 1 23 23 ASP CB C 23 37.479 37.479 40.614 -3.135 19431 8046 1 20 . 1 1 24 24 ILE N N 24 123.580 123.580 120.510 3.070 19431 8047 1 20 . 1 1 24 24 ILE HA H 24 3.678 3.678 3.565 0.113 19431 8048 1 20 . 1 1 24 24 ILE CA C 24 63.201 63.201 65.306 -2.105 19431 8049 1 20 . 1 1 24 24 ILE CB C 24 35.138 35.138 37.823 -2.685 19431 8050 1 20 . 1 1 25 25 GLU N N 25 120.591 120.591 117.699 2.892 19431 8051 1 20 . 1 1 25 25 GLU HA H 25 3.885 3.885 4.321 -0.436 19431 8052 1 20 . 1 1 25 25 GLU CA C 25 57.824 57.824 57.724 0.100 19431 8053 1 20 . 1 1 25 25 GLU CB C 25 25.883 25.883 29.013 -3.130 19431 8054 1 20 . 1 1 26 26 ILE N N 26 121.350 121.350 117.985 3.365 19431 8055 1 20 . 1 1 26 26 ILE HA H 26 3.718 3.718 4.117 -0.399 19431 8056 1 20 . 1 1 26 26 ILE CA C 26 62.881 62.881 62.688 0.193 19431 8057 1 20 . 1 1 26 26 ILE CB C 26 35.324 35.324 39.096 -3.772 19431 8058 1 20 . 1 1 27 27 ALA N N 27 120.204 120.204 123.492 -3.288 19431 8059 1 20 . 1 1 28 28 GLN N N 28 114.627 114.627 116.726 -2.099 19431 8060 1 20 . 1 1 28 28 GLN CB C 28 26.380 26.380 28.086 -1.706 19431 8061 1 20 . 1 1 29 29 SER N N 29 115.031 115.031 114.099 0.932 19431 8062 1 20 . 1 1 29 29 SER HA H 29 4.260 4.260 4.568 -0.308 19431 8063 1 20 . 1 1 29 29 SER CA C 29 57.768 57.768 57.781 -0.013 19431 8064 1 20 . 1 1 29 29 SER CB C 29 61.367 61.367 63.364 -1.998 19431 8065 1 20 . 1 1 30 30 LYS N N 30 112.834 112.834 119.314 -6.480 19431 8066 1 20 . 1 1 30 30 LYS HA H 30 4.228 4.228 3.700 0.528 19431 8067 1 20 . 1 1 30 30 LYS CA C 30 56.103 56.103 56.967 -0.864 19431 8068 1 20 . 1 1 30 30 LYS CB C 30 26.478 26.478 29.434 -2.956 19431 8069 1 20 . 1 1 31 31 ASP N N 31 121.067 121.067 121.015 0.052 19431 8070 1 20 . 1 1 31 31 ASP HA H 31 4.877 4.877 4.238 0.639 19431 8071 1 20 . 1 1 31 31 ASP CA C 31 49.742 49.742 53.164 -3.422 19431 8072 1 20 . 1 1 31 31 ASP CB C 31 38.652 38.652 43.224 -4.572 19431 8073 1 20 . 1 1 32 32 TYR N N 32 126.671 126.671 121.516 5.155 19431 8074 1 20 . 1 1 32 32 TYR HA H 32 3.311 3.311 3.460 -0.149 19431 8075 1 20 . 1 1 32 32 TYR CA C 32 57.951 57.951 59.215 -1.264 19431 8076 1 20 . 1 1 32 32 TYR CB C 32 36.158 36.158 38.951 -2.793 19431 8077 1 20 . 1 1 33 33 GLU N N 33 115.884 115.884 117.854 -1.970 19431 8078 1 20 . 1 1 33 33 GLU HA H 33 3.442 3.442 4.304 -0.862 19431 8079 1 20 . 1 1 33 33 GLU CA C 33 56.757 56.757 57.915 -1.158 19431 8080 1 20 . 1 1 33 33 GLU CB C 33 26.095 26.095 29.152 -3.057 19431 8081 1 20 . 1 1 34 34 SER N N 34 116.060 116.060 116.928 -0.868 19431 8082 1 20 . 1 1 34 34 SER HA H 34 4.026 4.026 4.210 -0.184 19431 8083 1 20 . 1 1 34 34 SER CA C 34 58.953 58.953 60.889 -1.936 19431 8084 1 20 . 1 1 34 34 SER CB C 34 59.683 59.683 62.951 -3.268 19431 8085 1 20 . 1 1 35 35 TRP N N 35 123.977 123.977 121.021 2.956 19431 8086 1 20 . 1 1 35 35 TRP CA C 35 57.894 57.894 59.380 -1.486 19431 8087 1 20 . 1 1 35 35 TRP CB C 35 25.531 25.531 29.158 -3.627 19431 8088 1 20 . 1 1 36 36 LYS N N 36 117.633 117.633 119.331 -1.698 19431 8089 1 20 . 1 1 36 36 LYS HA H 36 3.128 3.128 3.967 -0.839 19431 8090 1 20 . 1 1 36 36 LYS CA C 36 55.998 55.998 60.148 -4.150 19431 8091 1 20 . 1 1 36 36 LYS CB C 36 29.304 29.304 31.725 -2.421 19431 8092 1 20 . 1 1 37 37 SER N N 37 109.835 109.835 111.789 -1.954 19431 8093 1 20 . 1 1 37 37 SER HA H 37 3.989 3.989 4.260 -0.271 19431 8094 1 20 . 1 1 37 37 SER CA C 37 57.765 57.765 60.155 -2.390 19431 8095 1 20 . 1 1 37 37 SER CB C 37 60.606 60.606 62.569 -1.963 19431 8096 1 20 . 1 1 38 38 ARG N N 38 119.946 119.946 119.378 0.568 19431 8097 1 20 . 1 1 38 38 ARG HA H 38 4.144 4.144 4.106 0.038 19431 8098 1 20 . 1 1 38 38 ARG CA C 38 51.208 51.208 55.941 -4.733 19431 8099 1 20 . 1 1 38 38 ARG CB C 38 25.717 25.717 29.695 -3.978 19431 8100 1 20 . 1 1 39 39 PHE N N 39 117.529 117.529 117.510 0.019 19431 8101 1 20 . 1 1 39 39 PHE HA H 39 4.855 4.855 5.012 -0.157 19431 8102 1 20 . 1 1 39 39 PHE CA C 39 54.234 54.234 57.633 -3.399 19431 8103 1 20 . 1 1 39 39 PHE CB C 39 37.547 37.547 39.972 -2.425 19431 8104 1 20 . 1 1 40 40 THR N N 40 113.296 113.296 113.562 -0.266 19431 8105 1 20 . 1 1 40 40 THR HA H 40 3.991 3.991 4.212 -0.221 19431 8106 1 20 . 1 1 40 40 THR CA C 40 59.704 59.704 61.882 -2.178 19431 8107 1 20 . 1 1 40 40 THR CB C 40 66.175 66.175 70.297 -4.122 19431 8108 1 20 . 1 1 41 41 LYS N N 41 124.924 124.924 121.156 3.768 19431 8109 1 20 . 1 1 41 41 LYS HA H 41 3.713 3.713 4.021 -0.308 19431 8110 1 20 . 1 1 41 41 LYS CA C 41 57.650 57.650 59.480 -1.830 19431 8111 1 20 . 1 1 41 41 LYS CB C 41 29.363 29.363 32.026 -2.663 19431 8112 1 20 . 1 1 42 42 ASP N N 42 116.255 116.255 119.154 -2.899 19431 8113 1 20 . 1 1 42 42 ASP HA H 42 4.343 4.343 4.434 -0.092 19431 8114 1 20 . 1 1 42 42 ASP CA C 42 53.841 53.841 57.129 -3.288 19431 8115 1 20 . 1 1 42 42 ASP CB C 42 37.703 37.703 40.959 -3.256 19431 8116 1 20 . 1 1 43 43 LEU N N 43 119.134 119.134 119.667 -0.533 19431 8117 1 20 . 1 1 43 43 LEU HA H 43 4.320 4.320 4.065 0.255 19431 8118 1 20 . 1 1 43 43 LEU CA C 43 52.423 52.423 56.632 -4.208 19431 8119 1 20 . 1 1 43 43 LEU CB C 43 40.023 40.023 41.719 -1.696 19431 8120 1 20 . 1 1 44 44 GLN N N 44 119.455 119.455 119.300 0.155 19431 8121 1 20 . 1 1 44 44 GLN HA H 44 3.466 3.466 3.905 -0.439 19431 8122 1 20 . 1 1 44 44 GLN CA C 44 57.437 57.437 59.425 -1.988 19431 8123 1 20 . 1 1 44 44 GLN CB C 44 25.394 25.394 28.370 -2.976 19431 8124 1 20 . 1 1 45 45 SER N N 45 110.605 110.605 113.976 -3.371 19431 8125 1 20 . 1 1 45 45 SER HA H 45 4.211 4.211 4.304 -0.093 19431 8126 1 20 . 1 1 45 45 SER CA C 45 57.621 57.621 60.394 -2.773 19431 8127 1 20 . 1 1 45 45 SER CB C 45 60.094 60.094 63.062 -2.968 19431 8128 1 20 . 1 1 46 46 SER N N 46 115.075 115.075 115.530 -0.455 19431 8129 1 20 . 1 1 46 46 SER HA H 46 4.473 4.473 4.375 0.098 19431 8130 1 20 . 1 1 46 46 SER CA C 46 55.739 55.739 58.956 -3.216 19431 8131 1 20 . 1 1 46 46 SER CB C 46 61.628 61.628 63.680 -2.052 19431 8132 1 20 . 1 1 47 47 LEU N N 47 124.984 124.984 122.934 2.050 19431 8133 1 20 . 1 1 47 47 LEU HA H 47 4.334 4.334 4.134 0.200 19431 8134 1 20 . 1 1 47 47 LEU CA C 47 52.040 52.040 55.235 -3.195 19431 8135 1 20 . 1 1 47 47 LEU CB C 47 39.810 39.810 42.510 -2.700 19431 8136 1 20 . 1 1 48 48 THR N N 48 111.152 111.152 111.457 -0.305 19431 8137 1 20 . 1 1 48 48 THR HA H 48 4.665 4.665 4.478 0.187 19431 8138 1 20 . 1 1 48 48 THR CA C 48 56.718 56.718 60.317 -3.599 19431 8139 1 20 . 1 1 48 48 THR CB C 48 69.103 69.103 70.291 -1.188 19431 8140 1 20 . 1 1 49 49 GLU N N 49 124.552 124.552 124.020 0.532 19431 8141 1 20 . 1 1 49 49 GLU HA H 49 3.194 3.194 3.305 -0.111 19431 8142 1 20 . 1 1 49 49 GLU CA C 49 56.770 56.770 59.619 -2.849 19431 8143 1 20 . 1 1 49 49 GLU CB C 49 26.148 26.148 29.288 -3.140 19431 8144 1 20 . 1 1 50 50 GLU N N 50 118.615 118.615 119.478 -0.863 19431 8145 1 20 . 1 1 50 50 GLU HA H 50 4.000 4.000 4.031 -0.031 19431 8146 1 20 . 1 1 50 50 GLU CA C 50 57.357 57.357 58.982 -1.625 19431 8147 1 20 . 1 1 50 50 GLU CB C 50 26.511 26.511 29.143 -2.632 19431 8148 1 20 . 1 1 51 51 SER N N 51 116.380 116.380 113.435 2.945 19431 8149 1 20 . 1 1 51 51 SER HA H 51 4.256 4.256 4.301 -0.045 19431 8150 1 20 . 1 1 51 51 SER CA C 51 58.825 58.825 59.785 -0.960 19431 8151 1 20 . 1 1 51 51 SER CB C 51 59.884 59.884 63.286 -3.402 19431 8152 1 20 . 1 1 52 52 TYR N N 52 125.611 125.611 114.085 11.526 19431 8153 1 20 . 1 1 52 52 TYR CB C 52 36.647 36.647 38.321 -1.674 19431 8154 1 20 . 1 1 53 53 ASP N N 53 119.653 119.653 121.248 -1.595 19431 8155 1 20 . 1 1 53 53 ASP HA H 53 4.115 4.115 4.827 -0.712 19431 8156 1 20 . 1 1 53 53 ASP CA C 53 54.553 54.553 54.735 -0.182 19431 8157 1 20 . 1 1 53 53 ASP CB C 53 37.477 37.477 41.926 -4.449 19431 8158 1 20 . 1 1 54 54 SER N N 54 114.883 114.883 116.794 -1.911 19431 8159 1 20 . 1 1 54 54 SER HA H 54 3.946 3.946 4.214 -0.268 19431 8160 1 20 . 1 1 54 54 SER CA C 54 59.741 59.741 61.318 -1.577 19431 8161 1 20 . 1 1 54 54 SER CB C 54 59.750 59.750 63.495 -3.745 19431 8162 1 20 . 1 1 55 55 TYR N N 55 123.933 123.933 123.024 0.909 19431 8163 1 20 . 1 1 55 55 TYR HA H 55 4.361 4.361 4.191 0.170 19431 8164 1 20 . 1 1 55 55 TYR CA C 55 57.213 57.213 61.610 -4.397 19431 8165 1 20 . 1 1 55 55 TYR CB C 55 34.024 34.024 38.337 -4.312 19431 8166 1 20 . 1 1 56 56 LEU N N 56 119.758 119.758 117.232 2.526 19431 8167 1 20 . 1 1 56 56 LEU HA H 56 3.252 3.252 3.942 -0.690 19431 8168 1 20 . 1 1 56 56 LEU CA C 56 54.681 54.681 57.266 -2.585 19431 8169 1 20 . 1 1 56 56 LEU CB C 56 38.151 38.151 41.480 -3.329 19431 8170 1 20 . 1 1 57 57 LYS N N 57 118.487 118.487 118.478 0.009 19431 8171 1 20 . 1 1 57 57 LYS HA H 57 3.852 3.852 4.258 -0.406 19431 8172 1 20 . 1 1 57 57 LYS CA C 57 56.090 56.090 57.923 -1.833 19431 8173 1 20 . 1 1 57 57 LYS CB C 57 29.683 29.683 31.797 -2.114 19431 8174 1 20 . 1 1 58 58 ILE N N 58 120.887 120.887 118.243 2.644 19431 8175 1 20 . 1 1 58 58 ILE HA H 58 3.591 3.591 3.742 -0.151 19431 8176 1 20 . 1 1 58 58 ILE CA C 58 61.366 61.366 64.198 -2.832 19431 8177 1 20 . 1 1 58 58 ILE CB C 58 35.144 35.144 37.830 -2.686 19431 8178 1 20 . 1 1 59 59 LEU N N 59 122.273 122.273 121.794 0.479 19431 8179 1 20 . 1 1 59 59 LEU HA H 59 3.437 3.437 3.635 -0.198 19431 8180 1 20 . 1 1 59 59 LEU CA C 59 54.847 54.847 58.444 -3.596 19431 8181 1 20 . 1 1 59 59 LEU CB C 59 39.071 39.071 41.551 -2.480 19431 8182 1 20 . 1 1 60 60 GLU N N 60 118.591 118.591 116.774 1.817 19431 8183 1 20 . 1 1 60 60 GLU HA H 60 3.810 3.810 4.032 -0.222 19431 8184 1 20 . 1 1 60 60 GLU CA C 60 56.156 56.156 58.772 -2.616 19431 8185 1 20 . 1 1 60 60 GLU CB C 60 26.820 26.820 29.514 -2.694 19431 8186 1 20 . 1 1 61 61 LYS N N 61 115.698 115.698 113.965 1.733 19431 8187 1 20 . 1 1 61 61 LYS HA H 61 4.029 4.029 4.663 -0.634 19431 8188 1 20 . 1 1 61 61 LYS CA C 61 54.164 54.164 55.802 -1.638 19431 8189 1 20 . 1 1 61 61 LYS CB C 61 29.581 29.581 32.685 -3.104 19431 8190 1 20 . 1 1 62 62 GLN N N 62 114.863 114.863 118.684 -3.821 19431 8191 1 20 . 1 1 62 62 GLN HA H 62 3.851 3.851 4.324 -0.473 19431 8192 1 20 . 1 1 62 62 GLN CA C 62 52.258 52.258 55.236 -2.978 19431 8193 1 20 . 1 1 62 62 GLN CB C 62 25.186 25.186 29.413 -4.227 19431 8194 1 20 . 1 1 63 63 GLY N N 63 101.724 101.724 108.735 -7.011 19431 8195 1 20 . 1 1 63 63 GLY CA C 63 41.815 41.815 44.653 -2.838 19431 8196 1 20 . 1 1 64 64 GLU N N 64 118.731 118.731 119.812 -1.081 19431 8197 1 20 . 1 1 64 64 GLU HA H 64 4.137 4.137 4.749 -0.612 19431 8198 1 20 . 1 1 64 64 GLU CA C 64 54.598 54.598 55.081 -0.484 19431 8199 1 20 . 1 1 64 64 GLU CB C 64 28.312 28.312 31.416 -3.104 19431 8200 1 20 . 1 1 65 65 PHE N N 65 123.366 123.366 123.938 -0.572 19431 8201 1 20 . 1 1 65 65 PHE HA H 65 3.825 3.825 3.746 0.079 19431 8202 1 20 . 1 1 65 65 PHE CA C 65 57.419 57.419 58.928 -1.509 19431 8203 1 20 . 1 1 65 65 PHE CB C 65 36.666 36.666 39.171 -2.505 19431 8204 1 20 . 1 1 66 66 LYS N N 66 125.336 125.336 125.387 -0.051 19431 8205 1 20 . 1 1 66 66 LYS HA H 66 4.168 4.168 3.976 0.192 19431 8206 1 20 . 1 1 66 66 LYS CA C 66 53.226 53.226 56.026 -2.800 19431 8207 1 20 . 1 1 66 66 LYS CB C 66 30.293 30.293 34.001 -3.708 19431 8208 1 20 . 1 1 67 67 GLU N N 67 112.076 112.076 117.967 -5.891 19431 8209 1 20 . 1 1 67 67 GLU HA H 67 4.069 4.069 4.080 -0.011 19431 8210 1 20 . 1 1 67 67 GLU CA C 67 52.907 52.907 55.330 -2.423 19431 8211 1 20 . 1 1 67 67 GLU CB C 67 29.378 29.378 32.437 -3.058 19431 8212 1 20 . 1 1 68 68 PHE N N 68 118.706 118.706 121.657 -2.951 19431 8213 1 20 . 1 1 68 68 PHE CB C 68 38.408 38.408 39.862 -1.454 19431 8214 1 20 . 1 1 69 69 GLY N N 69 112.889 112.889 111.818 1.071 19431 8215 1 20 . 1 1 69 69 GLY CA C 69 41.353 41.353 44.591 -3.238 19431 8216 1 20 . 1 1 70 70 LYS N N 70 122.409 122.409 120.569 1.840 19431 8217 1 20 . 1 1 70 70 LYS HA H 70 4.085 4.085 4.271 -0.186 19431 8218 1 20 . 1 1 70 70 LYS CA C 70 54.418 54.418 57.050 -2.632 19431 8219 1 20 . 1 1 70 70 LYS CB C 70 31.197 31.197 32.830 -1.633 19431 8220 1 20 . 1 1 71 71 CYS N N 71 118.509 118.509 124.851 -6.342 19431 8221 1 20 . 1 1 71 71 CYS HA H 71 5.332 5.332 5.493 -0.161 19431 8222 1 20 . 1 1 71 71 CYS CA C 71 54.655 54.655 56.095 -1.440 19431 8223 1 20 . 1 1 71 71 CYS CB C 71 28.223 28.223 28.271 -0.048 19431 8224 1 20 . 1 1 72 72 THR N N 72 120.129 120.129 122.098 -1.969 19431 8225 1 20 . 1 1 72 72 THR HA H 72 4.272 4.272 4.363 -0.091 19431 8226 1 20 . 1 1 72 72 THR CA C 72 58.652 58.652 61.401 -2.749 19431 8227 1 20 . 1 1 72 72 THR CB C 72 68.199 68.199 70.330 -2.131 19431 8228 1 20 . 1 1 73 73 TYR N N 73 122.772 122.772 125.438 -2.666 19431 8229 1 20 . 1 1 73 73 TYR HA H 73 5.034 5.034 4.841 0.193 19431 8230 1 20 . 1 1 73 73 TYR CA C 73 55.497 55.497 57.140 -1.643 19431 8231 1 20 . 1 1 73 73 TYR CB C 73 38.271 38.271 39.130 -0.859 19431 8232 1 20 . 1 1 74 74 LEU N N 74 117.980 117.980 120.992 -3.012 19431 8233 1 20 . 1 1 74 74 LEU HA H 74 4.466 4.466 4.726 -0.260 19431 8234 1 20 . 1 1 74 74 LEU CA C 74 51.805 51.805 53.410 -1.605 19431 8235 1 20 . 1 1 74 74 LEU CB C 74 42.030 42.030 43.840 -1.810 19431 8236 1 20 . 1 1 75 75 GLY N N 75 105.257 105.257 107.851 -2.594 19431 8237 1 20 . 1 1 75 75 GLY CA C 75 42.799 42.799 45.161 -2.362 19431 8238 1 20 . 1 1 76 76 GLN N N 76 119.071 119.071 121.889 -2.818 19431 8239 1 20 . 1 1 76 76 GLN HA H 76 4.938 4.938 5.138 -0.200 19431 8240 1 20 . 1 1 76 76 GLN CA C 76 52.495 52.495 54.784 -2.289 19431 8241 1 20 . 1 1 76 76 GLN CB C 76 30.498 30.498 34.108 -3.610 19431 8242 1 20 . 1 1 77 77 ILE N N 77 123.550 123.550 122.756 0.794 19431 8243 1 20 . 1 1 77 77 ILE HA H 77 4.992 4.992 4.950 0.042 19431 8244 1 20 . 1 1 77 77 ILE CA C 77 57.239 57.239 60.633 -3.394 19431 8245 1 20 . 1 1 77 77 ILE CB C 77 36.664 36.664 39.474 -2.810 19431 8246 1 20 . 1 1 78 78 LYS N N 78 127.532 127.532 129.272 -1.740 19431 8247 1 20 . 1 1 78 78 LYS HA H 78 4.585 4.585 4.256 0.329 19431 8248 1 20 . 1 1 78 78 LYS CA C 78 52.768 52.768 58.968 -6.200 19431 8249 1 20 . 1 1 78 78 LYS CB C 78 32.536 32.536 33.127 -0.591 19431 8250 1 20 . 1 1 79 79 ASP N N 79 128.019 128.019 116.403 11.616 19431 8251 1 20 . 1 1 79 79 ASP HA H 79 4.168 4.168 4.744 -0.576 19431 8252 1 20 . 1 1 79 79 ASP CA C 79 53.258 53.258 55.250 -1.992 19431 8253 1 20 . 1 1 79 79 ASP CB C 79 36.826 36.826 41.373 -4.548 19431 8254 1 20 . 1 1 80 80 ASN N N 80 110.608 110.608 117.366 -6.758 19431 8255 1 20 . 1 1 80 80 ASN HA H 80 4.168 4.168 4.781 -0.613 19431 8256 1 20 . 1 1 80 80 ASN CA C 80 51.912 51.912 53.091 -1.179 19431 8257 1 20 . 1 1 80 80 ASN CB C 80 35.506 35.506 40.058 -4.552 19431 8258 1 20 . 1 1 81 81 LYS N N 81 121.116 121.116 120.408 0.708 19431 8259 1 20 . 1 1 81 81 LYS HA H 81 4.482 4.482 4.627 -0.145 19431 8260 1 20 . 1 1 81 81 LYS CA C 81 52.353 52.353 54.394 -2.041 19431 8261 1 20 . 1 1 81 81 LYS CB C 81 32.119 32.119 33.637 -1.518 19431 8262 1 20 . 1 1 82 82 LYS N N 82 119.259 119.259 123.259 -4.000 19431 8263 1 20 . 1 1 82 82 LYS HA H 82 4.765 4.765 5.115 -0.350 19431 8264 1 20 . 1 1 82 82 LYS CA C 82 52.722 52.722 55.210 -2.488 19431 8265 1 20 . 1 1 82 82 LYS CB C 82 32.934 32.934 35.626 -2.692 19431 8266 1 20 . 1 1 83 83 TYR N N 83 118.176 118.176 121.938 -3.762 19431 8267 1 20 . 1 1 83 83 TYR HA H 83 5.275 5.275 4.795 0.480 19431 8268 1 20 . 1 1 83 83 TYR CA C 83 53.383 53.383 56.443 -3.060 19431 8269 1 20 . 1 1 83 83 TYR CB C 83 38.026 38.026 42.650 -4.624 19431 8270 1 20 . 1 1 84 84 GLY N N 84 111.686 111.686 107.587 4.099 19431 8271 1 20 . 1 1 84 84 GLY CA C 84 41.219 41.219 43.098 -1.879 19431 8272 1 20 . 1 1 85 85 GLY N N 85 111.232 111.232 109.671 1.561 19431 8273 1 20 . 1 1 85 85 GLY CA C 85 42.272 42.272 43.017 -0.745 19431 8274 1 20 . 1 1 86 86 VAL N N 86 115.256 115.256 119.794 -4.538 19431 8275 1 20 . 1 1 86 86 VAL HA H 86 5.127 5.127 4.971 0.156 19431 8276 1 20 . 1 1 86 86 VAL CA C 86 55.741 55.741 60.541 -4.800 19431 8277 1 20 . 1 1 86 86 VAL CB C 86 33.129 33.129 35.324 -2.195 19431 8278 1 20 . 1 1 87 87 ILE N N 87 125.124 125.124 130.153 -5.029 19431 8279 1 20 . 1 1 87 87 ILE HA H 87 5.206 5.206 4.409 0.797 19431 8280 1 20 . 1 1 87 87 ILE CA C 87 57.168 57.168 60.931 -3.763 19431 8281 1 20 . 1 1 87 87 ILE CB C 87 36.590 36.590 37.413 -0.823 19431 8282 1 20 . 1 1 88 88 ILE N N 88 128.056 128.056 129.106 -1.050 19431 8283 1 20 . 1 1 88 88 ILE HA H 88 5.146 5.146 4.578 0.568 19431 8284 1 20 . 1 1 88 88 ILE CA C 88 55.356 55.356 59.642 -4.286 19431 8285 1 20 . 1 1 88 88 ILE CB C 88 39.847 39.847 39.295 0.552 19431 8286 1 20 . 1 1 89 89 VAL N N 89 128.326 128.326 130.548 -2.222 19431 8287 1 20 . 1 1 89 89 VAL HA H 89 4.387 4.387 4.108 0.279 19431 8288 1 20 . 1 1 89 89 VAL CA C 89 59.839 59.839 63.911 -4.072 19431 8289 1 20 . 1 1 89 89 VAL CB C 89 30.295 30.295 31.928 -1.633 19431 8290 1 20 . 1 1 90 90 VAL N N 90 128.738 128.738 127.947 0.791 19431 8291 1 20 . 1 1 90 90 VAL HA H 90 4.207 4.207 4.770 -0.563 19431 8292 1 20 . 1 1 90 90 VAL CA C 90 59.722 59.722 60.658 -0.936 19431 8293 1 20 . 1 1 90 90 VAL CB C 90 31.537 31.537 34.631 -3.094 19431 8294 1 20 . 1 1 91 91 LYS N N 91 126.004 126.004 128.383 -2.379 19431 8295 1 20 . 1 1 91 91 LYS HA H 91 4.629 4.629 4.575 0.054 19431 8296 1 20 . 1 1 91 91 LYS CA C 91 52.972 52.972 55.227 -2.255 19431 8297 1 20 . 1 1 91 91 LYS CB C 91 30.789 30.789 31.635 -0.846 19431 8298 1 20 . 1 1 92 92 TYR N N 92 123.932 123.932 123.382 0.550 19431 8299 1 20 . 1 1 92 92 TYR HA H 92 4.940 4.940 4.528 0.412 19431 8300 1 20 . 1 1 92 92 TYR CA C 92 53.905 53.905 58.844 -4.939 19431 8301 1 20 . 1 1 92 92 TYR CB C 92 39.331 39.331 39.412 -0.081 19431 8302 1 20 . 1 1 93 93 GLU N N 93 122.195 122.195 121.213 0.982 19431 8303 1 20 . 1 1 93 93 GLU HA H 93 3.834 3.834 4.065 -0.231 19431 8304 1 20 . 1 1 93 93 GLU CA C 93 57.465 57.465 59.066 -1.601 19431 8305 1 20 . 1 1 93 93 GLU CB C 93 28.695 28.695 30.019 -1.324 19431 8306 1 20 . 1 1 94 94 GLU N N 94 110.219 110.219 114.703 -4.484 19431 8307 1 20 . 1 1 94 94 GLU HA H 94 4.440 4.440 4.532 -0.092 19431 8308 1 20 . 1 1 94 94 GLU CA C 94 52.555 52.555 55.887 -3.332 19431 8309 1 20 . 1 1 94 94 GLU CB C 94 26.861 26.861 31.929 -5.068 19431 8310 1 20 . 1 1 95 95 GLY N N 95 106.566 106.566 108.803 -2.237 19431 8311 1 20 . 1 1 95 95 GLY CA C 95 42.542 42.542 44.949 -2.407 19431 8312 1 20 . 1 1 96 96 ASN N N 96 116.707 116.707 122.233 -5.526 19431 8313 1 20 . 1 1 96 96 ASN HA H 96 5.720 5.720 5.512 0.208 19431 8314 1 20 . 1 1 96 96 ASN CA C 96 49.003 49.003 52.106 -3.103 19431 8315 1 20 . 1 1 96 96 ASN CB C 96 37.602 37.602 38.889 -1.287 19431 8316 1 20 . 1 1 97 97 VAL N N 97 122.002 122.002 124.368 -2.366 19431 8317 1 20 . 1 1 97 97 VAL HA H 97 4.117 4.117 4.057 0.060 19431 8318 1 20 . 1 1 97 97 VAL CA C 97 58.404 58.404 61.225 -2.821 19431 8319 1 20 . 1 1 97 97 VAL CB C 97 33.456 33.456 31.022 2.434 19431 8320 1 20 . 1 1 98 98 ASN N N 98 124.376 124.376 127.143 -2.767 19431 8321 1 20 . 1 1 98 98 ASN HA H 98 5.135 5.135 4.859 0.276 19431 8322 1 20 . 1 1 98 98 ASN CA C 98 48.630 48.630 52.850 -4.220 19431 8323 1 20 . 1 1 98 98 ASN CB C 98 36.031 36.031 38.340 -2.309 19431 8324 1 20 . 1 1 99 99 TYR N N 99 123.932 123.932 125.441 -1.509 19431 8325 1 20 . 1 1 99 99 TYR HA H 99 4.640 4.640 4.630 0.010 19431 8326 1 20 . 1 1 99 99 TYR CA C 99 55.468 55.468 58.360 -2.892 19431 8327 1 20 . 1 1 99 99 TYR CB C 99 38.122 38.122 37.506 0.616 19431 8328 1 20 . 1 1 100 100 SER N N 100 115.327 115.327 121.886 -6.559 19431 8329 1 20 . 1 1 100 100 SER HA H 100 5.242 5.242 4.822 0.420 19431 8330 1 20 . 1 1 100 100 SER CA C 100 53.767 53.767 58.780 -5.013 19431 8331 1 20 . 1 1 100 100 SER CB C 100 60.649 60.649 62.917 -2.268 19431 8332 1 20 . 1 1 101 101 LEU N N 101 130.521 130.521 126.802 3.719 19431 8333 1 20 . 1 1 101 101 LEU HA H 101 4.978 4.978 5.184 -0.206 19431 8334 1 20 . 1 1 101 101 LEU CA C 101 51.756 51.756 53.221 -1.465 19431 8335 1 20 . 1 1 101 101 LEU CB C 101 42.765 42.765 44.792 -2.027 19431 8336 1 20 . 1 1 102 102 ALA N N 102 121.373 121.373 123.060 -1.687 19431 8337 1 20 . 1 1 102 102 ALA HA H 102 4.994 4.994 4.690 0.304 19431 8338 1 20 . 1 1 102 102 ALA CA C 102 48.505 48.505 50.917 -2.412 19431 8339 1 20 . 1 1 102 102 ALA CB C 102 19.355 19.355 22.783 -3.428 19431 8340 1 20 . 1 1 103 103 TYR N N 103 120.633 120.633 118.596 2.037 19431 8341 1 20 . 1 1 103 103 TYR HA H 103 5.311 5.311 5.841 -0.530 19431 8342 1 20 . 1 1 103 103 TYR CA C 103 55.519 55.519 55.657 -0.138 19431 8343 1 20 . 1 1 103 103 TYR CB C 103 42.037 42.037 41.691 0.346 19431 8344 1 20 . 1 1 104 104 ASP N N 104 118.129 118.129 119.701 -1.572 19431 8345 1 20 . 1 1 104 104 ASP HA H 104 5.163 5.163 4.749 0.414 19431 8346 1 20 . 1 1 104 104 ASP CA C 104 49.372 49.372 52.128 -2.756 19431 8347 1 20 . 1 1 104 104 ASP CB C 104 39.054 39.054 42.621 -3.567 19431 8348 1 20 . 1 1 105 105 GLU N N 105 115.031 115.031 117.290 -2.259 19431 8349 1 20 . 1 1 105 105 GLU HA H 105 3.624 3.624 4.288 -0.664 19431 8350 1 20 . 1 1 105 105 GLU CA C 105 55.976 55.976 58.762 -2.786 19431 8351 1 20 . 1 1 105 105 GLU CB C 105 27.111 27.111 29.455 -2.344 19431 8352 1 20 . 1 1 106 106 ASP N N 106 119.038 119.038 117.562 1.476 19431 8353 1 20 . 1 1 107 107 MET N N 107 111.995 111.995 113.747 -1.752 19431 8354 1 20 . 1 1 107 107 MET HA H 107 4.343 4.343 4.099 0.244 19431 8355 1 20 . 1 1 107 107 MET CA C 107 51.671 51.671 56.321 -4.650 19431 8356 1 20 . 1 1 107 107 MET CB C 107 21.629 21.629 29.708 -8.079 19431 8357 1 20 . 1 1 108 108 ASN N N 108 117.079 117.079 116.775 0.304 19431 8358 1 20 . 1 1 108 108 ASN HA H 108 5.111 5.111 4.932 0.179 19431 8359 1 20 . 1 1 108 108 ASN CA C 108 49.519 49.519 52.725 -3.207 19431 8360 1 20 . 1 1 108 108 ASN CB C 108 37.221 37.221 40.429 -3.208 19431 8361 1 20 . 1 1 109 109 LEU N N 109 122.211 122.211 122.198 0.013 19431 8362 1 20 . 1 1 109 109 LEU HA H 109 4.020 4.020 4.364 -0.344 19431 8363 1 20 . 1 1 109 109 LEU CA C 109 52.898 52.898 56.700 -3.802 19431 8364 1 20 . 1 1 109 109 LEU CB C 109 40.774 40.774 41.877 -1.103 19431 8365 1 20 . 1 1 110 110 VAL N N 110 109.806 109.806 126.417 -16.611 19431 8366 1 20 . 1 1 110 110 VAL HA H 110 4.551 4.551 4.354 0.197 19431 8367 1 20 . 1 1 110 110 VAL CA C 110 57.276 57.276 62.745 -5.469 19431 8368 1 20 . 1 1 110 110 VAL CB C 110 30.242 30.242 34.386 -4.144 19431 8369 1 20 . 1 1 111 111 SER N N 111 113.487 113.487 115.748 -2.261 19431 8370 1 20 . 1 1 111 111 SER HA H 111 4.476 4.476 4.642 -0.166 19431 8371 1 20 . 1 1 111 111 SER CA C 111 55.637 55.637 58.395 -2.758 19431 8372 1 20 . 1 1 111 111 SER CB C 111 61.288 61.288 64.592 -3.304 19431 8373 1 20 . 1 1 112 112 PHE N N 112 126.988 126.988 126.709 0.279 19431 8374 1 20 . 1 1 112 112 PHE HA H 112 4.991 4.991 4.826 0.165 19431 8375 1 20 . 1 1 112 112 PHE CA C 112 55.305 55.305 57.327 -2.022 19431 8376 1 20 . 1 1 112 112 PHE CB C 112 40.128 40.128 41.815 -1.687 19431 8377 1 20 . 1 1 113 113 THR N N 113 120.333 120.333 121.667 -1.334 19431 8378 1 20 . 1 1 113 113 THR HA H 113 4.775 4.775 4.570 0.205 19431 8379 1 20 . 1 1 113 113 THR CA C 113 57.888 57.888 60.822 -2.934 19431 8380 1 20 . 1 1 113 113 THR CB C 113 69.193 69.193 71.909 -2.716 19431 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 110 3.528 0.762 3.460 19431 2 1 1 "Average Difference" HA 106 0.355 0.069 0.350 19431 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19431 4 1 1 "Average Difference" CA 107 2.855 2.626 1.125 19431 5 1 1 "Average Difference" CB 103 3.028 2.480 1.746 19431 6 1 1 "Average Difference" HN 0 0.000 0.000 0.000 19431 7 1 2 "Average Difference" N 110 3.473 0.753 3.406 19431 8 1 2 "Average Difference" HA 106 0.383 0.097 0.372 19431 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19431 10 1 2 "Average Difference" CA 107 2.897 2.658 1.156 19431 11 1 2 "Average Difference" CB 103 3.013 2.558 1.599 19431 12 1 2 "Average Difference" HN 0 0.000 0.000 0.000 19431 13 1 3 "Average Difference" N 110 3.306 0.499 3.283 19431 14 1 3 "Average Difference" HA 106 0.390 0.090 0.382 19431 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19431 16 1 3 "Average Difference" CA 107 2.838 2.550 1.251 19431 17 1 3 "Average Difference" CB 103 2.924 2.579 1.385 19431 18 1 3 "Average Difference" HN 0 0.000 0.000 0.000 19431 19 1 4 "Average Difference" N 110 3.277 0.390 3.269 19431 20 1 4 "Average Difference" HA 106 0.379 0.114 0.363 19431 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19431 22 1 4 "Average Difference" CA 107 2.808 2.547 1.189 19431 23 1 4 "Average Difference" CB 103 2.965 2.611 1.412 19431 24 1 4 "Average Difference" HN 0 0.000 0.000 0.000 19431 25 1 5 "Average Difference" N 110 3.242 0.622 3.196 19431 26 1 5 "Average Difference" HA 106 0.359 0.090 0.349 19431 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19431 28 1 5 "Average Difference" CA 107 2.915 2.652 1.216 19431 29 1 5 "Average Difference" CB 103 2.973 2.645 1.364 19431 30 1 5 "Average Difference" HN 0 0.000 0.000 0.000 19431 31 1 6 "Average Difference" N 110 3.290 0.609 3.248 19431 32 1 6 "Average Difference" HA 106 0.377 0.105 0.364 19431 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19431 34 1 6 "Average Difference" CA 107 2.668 2.402 1.166 19431 35 1 6 "Average Difference" CB 103 3.077 2.548 1.733 19431 36 1 6 "Average Difference" HN 0 0.000 0.000 0.000 19431 37 1 7 "Average Difference" N 110 3.543 0.508 3.522 19431 38 1 7 "Average Difference" HA 106 0.403 0.123 0.385 19431 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19431 40 1 7 "Average Difference" CA 107 2.762 2.456 1.270 19431 41 1 7 "Average Difference" CB 103 3.096 2.681 1.555 19431 42 1 7 "Average Difference" HN 0 0.000 0.000 0.000 19431 43 1 8 "Average Difference" N 110 3.402 0.510 3.379 19431 44 1 8 "Average Difference" HA 106 0.375 0.117 0.358 19431 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19431 46 1 8 "Average Difference" CA 107 2.828 2.551 1.228 19431 47 1 8 "Average Difference" CB 103 3.016 2.687 1.377 19431 48 1 8 "Average Difference" HN 0 0.000 0.000 0.000 19431 49 1 9 "Average Difference" N 110 3.303 0.441 3.288 19431 50 1 9 "Average Difference" HA 106 0.348 0.077 0.341 19431 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19431 52 1 9 "Average Difference" CA 107 2.817 2.580 1.136 19431 53 1 9 "Average Difference" CB 103 3.080 2.567 1.710 19431 54 1 9 "Average Difference" HN 0 0.000 0.000 0.000 19431 55 1 10 "Average Difference" N 110 3.300 0.628 3.255 19431 56 1 10 "Average Difference" HA 106 0.360 0.095 0.348 19431 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19431 58 1 10 "Average Difference" CA 107 2.820 2.584 1.133 19431 59 1 10 "Average Difference" CB 103 3.029 2.619 1.530 19431 60 1 10 "Average Difference" HN 0 0.000 0.000 0.000 19431 61 1 11 "Average Difference" N 110 3.587 0.784 3.516 19431 62 1 11 "Average Difference" HA 106 0.394 0.096 0.384 19431 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19431 64 1 11 "Average Difference" CA 107 2.838 2.595 1.153 19431 65 1 11 "Average Difference" CB 103 3.034 2.590 1.588 19431 66 1 11 "Average Difference" HN 0 0.000 0.000 0.000 19431 67 1 12 "Average Difference" N 110 3.275 0.454 3.258 19431 68 1 12 "Average Difference" HA 106 0.361 0.095 0.350 19431 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19431 70 1 12 "Average Difference" CA 107 2.818 2.587 1.122 19431 71 1 12 "Average Difference" CB 103 3.051 2.692 1.442 19431 72 1 12 "Average Difference" HN 0 0.000 0.000 0.000 19431 73 1 13 "Average Difference" N 110 3.273 0.535 3.244 19431 74 1 13 "Average Difference" HA 106 0.370 0.092 0.360 19431 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 19431 76 1 13 "Average Difference" CA 107 2.823 2.557 1.202 19431 77 1 13 "Average Difference" CB 103 2.930 2.549 1.450 19431 78 1 13 "Average Difference" HN 0 0.000 0.000 0.000 19431 79 1 14 "Average Difference" N 110 3.528 0.703 3.473 19431 80 1 14 "Average Difference" HA 106 0.369 0.098 0.358 19431 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 19431 82 1 14 "Average Difference" CA 107 2.854 2.584 1.217 19431 83 1 14 "Average Difference" CB 103 2.961 2.608 1.409 19431 84 1 14 "Average Difference" HN 0 0.000 0.000 0.000 19431 85 1 15 "Average Difference" N 110 3.437 0.764 3.367 19431 86 1 15 "Average Difference" HA 106 0.349 0.060 0.346 19431 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 19431 88 1 15 "Average Difference" CA 107 2.935 2.687 1.185 19431 89 1 15 "Average Difference" CB 103 2.994 2.488 1.674 19431 90 1 15 "Average Difference" HN 0 0.000 0.000 0.000 19431 91 1 16 "Average Difference" N 110 3.584 0.733 3.525 19431 92 1 16 "Average Difference" HA 106 0.383 0.066 0.379 19431 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 19431 94 1 16 "Average Difference" CA 107 2.874 2.632 1.159 19431 95 1 16 "Average Difference" CB 103 3.060 2.574 1.662 19431 96 1 16 "Average Difference" HN 0 0.000 0.000 0.000 19431 97 1 17 "Average Difference" N 110 3.617 0.662 3.572 19431 98 1 17 "Average Difference" HA 106 0.370 0.081 0.362 19431 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 19431 100 1 17 "Average Difference" CA 107 2.857 2.553 1.289 19431 101 1 17 "Average Difference" CB 103 2.970 2.454 1.681 19431 102 1 17 "Average Difference" HN 0 0.000 0.000 0.000 19431 103 1 18 "Average Difference" N 110 3.181 0.613 3.136 19431 104 1 18 "Average Difference" HA 106 0.384 0.116 0.368 19431 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 19431 106 1 18 "Average Difference" CA 107 2.779 2.557 1.093 19431 107 1 18 "Average Difference" CB 103 3.036 2.708 1.380 19431 108 1 18 "Average Difference" HN 0 0.000 0.000 0.000 19431 109 1 19 "Average Difference" N 110 3.223 0.771 3.143 19431 110 1 19 "Average Difference" HA 106 0.406 0.097 0.396 19431 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 19431 112 1 19 "Average Difference" CA 107 2.798 2.545 1.167 19431 113 1 19 "Average Difference" CB 103 3.109 2.617 1.687 19431 114 1 19 "Average Difference" HN 0 0.000 0.000 0.000 19431 115 1 20 "Average Difference" N 110 3.435 0.602 3.397 19431 116 1 20 "Average Difference" HA 106 0.343 0.073 0.337 19431 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 19431 118 1 20 "Average Difference" CA 107 2.790 2.524 1.195 19431 119 1 20 "Average Difference" CB 103 2.845 2.498 1.369 19431 120 1 20 "Average Difference" HN 0 0.000 0.000 0.000 19431 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 19431 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 GLU HA H 2 4.446 4.446 4.538 -0.092 19431 2 1 . 1 1 2 2 GLU CA C 2 53.359 53.359 55.330 -1.971 19431 3 1 . 1 1 2 2 GLU CB C 2 29.108 29.108 31.564 -2.456 19431 4 1 . 1 1 3 3 ILE N N 3 123.144 123.144 122.948 0.196 19431 5 1 . 1 1 3 3 ILE HA H 3 4.358 4.358 4.499 -0.141 19431 6 1 . 1 1 3 3 ILE CA C 3 57.727 57.727 59.324 -1.597 19431 7 1 . 1 1 3 3 ILE CB C 3 35.665 35.665 37.827 -2.162 19431 8 1 . 1 1 4 4 LEU N N 4 127.461 127.461 127.566 -0.104 19431 9 1 . 1 1 4 4 LEU HA H 4 4.554 4.554 4.546 0.008 19431 10 1 . 1 1 4 4 LEU CA C 4 51.011 51.011 54.234 -3.223 19431 11 1 . 1 1 4 4 LEU CB C 4 41.209 41.209 42.774 -1.565 19431 12 1 . 1 1 5 5 LYS N N 5 121.611 121.611 119.653 1.958 19431 13 1 . 1 1 5 5 LYS HA H 5 4.436 4.436 4.305 0.131 19431 14 1 . 1 1 5 5 LYS CA C 5 53.150 53.150 56.471 -3.321 19431 15 1 . 1 1 5 5 LYS CB C 5 29.359 29.359 31.911 -2.552 19431 16 1 . 1 1 6 6 GLU N N 6 115.825 115.825 114.899 0.926 19431 17 1 . 1 1 6 6 GLU HA H 6 4.269 4.269 4.588 -0.319 19431 18 1 . 1 1 6 6 GLU CA C 6 51.331 51.331 54.791 -3.459 19431 19 1 . 1 1 6 6 GLU CB C 6 29.583 29.583 31.459 -1.876 19431 20 1 . 1 1 7 7 LEU N N 7 118.967 118.967 122.225 -3.258 19431 21 1 . 1 1 7 7 LEU HA H 7 4.311 4.311 4.637 -0.326 19431 22 1 . 1 1 7 7 LEU CA C 7 50.182 50.182 52.956 -2.774 19431 23 1 . 1 1 7 7 LEU CB C 7 39.422 39.422 41.434 -2.012 19431 24 1 . 1 1 8 8 PRO HA H 8 4.432 4.432 4.545 -0.113 19431 25 1 . 1 1 8 8 PRO CA C 8 59.119 59.119 62.215 -3.096 19431 26 1 . 1 1 8 8 PRO CB C 8 29.306 29.306 32.493 -3.187 19431 27 1 . 1 1 9 9 GLU N N 9 121.059 121.059 118.725 2.334 19431 28 1 . 1 1 9 9 GLU HA H 9 4.033 4.033 4.098 -0.065 19431 29 1 . 1 1 9 9 GLU CA C 9 55.281 55.281 57.524 -2.243 19431 30 1 . 1 1 9 9 GLU CB C 9 26.864 26.864 29.562 -2.698 19431 31 1 . 1 1 10 10 GLY N N 10 112.279 112.279 110.981 1.298 19431 32 1 . 1 1 10 10 GLY CA C 10 42.029 42.029 44.538 -2.509 19431 33 1 . 1 1 11 11 PHE N N 11 117.612 117.612 118.950 -1.338 19431 34 1 . 1 1 11 11 PHE HA H 11 4.660 4.660 4.807 -0.148 19431 35 1 . 1 1 11 11 PHE CA C 11 54.280 54.280 56.302 -2.022 19431 36 1 . 1 1 11 11 PHE CB C 11 39.721 39.721 40.760 -1.038 19431 37 1 . 1 1 12 12 ASP N N 12 121.568 121.568 121.029 0.539 19431 38 1 . 1 1 12 12 ASP HA H 12 4.875 4.875 4.826 0.049 19431 39 1 . 1 1 12 12 ASP CA C 12 49.676 49.676 53.083 -3.407 19431 40 1 . 1 1 12 12 ASP CB C 12 42.307 42.307 42.932 -0.626 19431 41 1 . 1 1 13 13 LYS N N 13 125.770 125.770 124.799 0.971 19431 42 1 . 1 1 13 13 LYS HA H 13 3.294 3.294 3.325 -0.031 19431 43 1 . 1 1 13 13 LYS CA C 13 58.046 58.046 59.811 -1.765 19431 44 1 . 1 1 13 13 LYS CB C 13 30.216 30.216 32.263 -2.047 19431 45 1 . 1 1 14 14 GLU N N 14 118.590 118.590 118.153 0.438 19431 46 1 . 1 1 14 14 GLU HA H 14 4.090 4.090 4.235 -0.145 19431 47 1 . 1 1 14 14 GLU CA C 14 56.364 56.364 59.212 -2.848 19431 48 1 . 1 1 14 14 GLU CB C 14 26.479 26.479 29.467 -2.988 19431 49 1 . 1 1 15 15 THR N N 15 118.372 118.372 117.921 0.451 19431 50 1 . 1 1 15 15 THR HA H 15 3.737 3.737 4.043 -0.306 19431 51 1 . 1 1 15 15 THR CA C 15 63.974 63.974 66.846 -2.872 19431 52 1 . 1 1 15 15 THR CB C 15 65.565 65.565 68.731 -3.166 19431 53 1 . 1 1 16 16 VAL N N 16 121.083 121.083 121.801 -0.718 19431 54 1 . 1 1 16 16 VAL HA H 16 3.329 3.329 3.888 -0.559 19431 55 1 . 1 1 16 16 VAL CA C 16 64.214 64.214 66.298 -2.084 19431 56 1 . 1 1 16 16 VAL CB C 16 29.011 29.011 31.488 -2.477 19431 57 1 . 1 1 17 17 ARG N N 17 119.409 119.409 120.042 -0.633 19431 58 1 . 1 1 17 17 ARG HA H 17 3.737 3.737 4.016 -0.279 19431 59 1 . 1 1 17 17 ARG CA C 17 58.049 58.049 59.765 -1.716 19431 60 1 . 1 1 17 17 ARG CB C 17 27.401 27.401 30.161 -2.760 19431 61 1 . 1 1 18 18 LYS N N 18 116.168 116.168 118.862 -2.694 19431 62 1 . 1 1 18 18 LYS HA H 18 3.800 3.800 4.034 -0.234 19431 63 1 . 1 1 18 18 LYS CA C 18 57.031 57.031 59.068 -2.037 19431 64 1 . 1 1 18 18 LYS CB C 18 29.801 29.801 32.253 -2.452 19431 65 1 . 1 1 19 19 GLN N N 19 120.008 120.008 118.036 1.972 19431 66 1 . 1 1 19 19 GLN HA H 19 3.767 3.767 4.197 -0.430 19431 67 1 . 1 1 19 19 GLN CA C 19 54.492 54.492 57.120 -2.628 19431 68 1 . 1 1 19 19 GLN CB C 19 26.490 26.490 27.827 -1.337 19431 69 1 . 1 1 20 20 ALA N N 20 122.405 122.405 121.717 0.688 19431 70 1 . 1 1 20 20 ALA HA H 20 4.404 4.404 4.429 -0.025 19431 71 1 . 1 1 20 20 ALA CA C 20 52.036 52.036 54.147 -2.111 19431 72 1 . 1 1 20 20 ALA CB C 20 16.407 16.407 18.837 -2.430 19431 73 1 . 1 1 21 21 MET N N 21 115.042 115.042 118.736 -3.694 19431 74 1 . 1 1 21 21 MET HA H 21 3.354 3.354 3.548 -0.194 19431 75 1 . 1 1 21 21 MET CA C 21 56.861 56.861 59.597 -2.736 19431 76 1 . 1 1 21 21 MET CB C 21 30.538 30.538 32.316 -1.778 19431 77 1 . 1 1 22 22 GLU N N 22 118.882 118.882 119.198 -0.316 19431 78 1 . 1 1 22 22 GLU HA H 22 3.923 3.923 4.121 -0.198 19431 79 1 . 1 1 22 22 GLU CA C 22 56.675 56.675 59.212 -2.537 19431 80 1 . 1 1 22 22 GLU CB C 22 26.613 26.613 29.312 -2.699 19431 81 1 . 1 1 23 23 ASP N N 23 122.549 122.549 119.741 2.808 19431 82 1 . 1 1 23 23 ASP HA H 23 4.658 4.658 4.475 0.183 19431 83 1 . 1 1 23 23 ASP CA C 23 55.053 55.053 57.351 -2.298 19431 84 1 . 1 1 23 23 ASP CB C 23 37.479 37.479 40.434 -2.955 19431 85 1 . 1 1 24 24 ILE N N 24 123.580 123.580 119.778 3.802 19431 86 1 . 1 1 24 24 ILE HA H 24 3.678 3.678 3.529 0.149 19431 87 1 . 1 1 24 24 ILE CA C 24 63.201 63.201 65.242 -2.041 19431 88 1 . 1 1 24 24 ILE CB C 24 35.138 35.138 37.753 -2.615 19431 89 1 . 1 1 25 25 GLU N N 25 120.591 120.591 119.504 1.087 19431 90 1 . 1 1 25 25 GLU HA H 25 3.885 3.885 4.001 -0.116 19431 91 1 . 1 1 25 25 GLU CA C 25 57.824 57.824 59.289 -1.465 19431 92 1 . 1 1 25 25 GLU CB C 25 25.883 25.883 29.472 -3.589 19431 93 1 . 1 1 26 26 ILE N N 26 121.350 121.350 118.709 2.641 19431 94 1 . 1 1 26 26 ILE HA H 26 3.718 3.718 3.833 -0.115 19431 95 1 . 1 1 26 26 ILE CA C 26 62.881 62.881 63.959 -1.078 19431 96 1 . 1 1 26 26 ILE CB C 26 35.324 35.324 37.431 -2.107 19431 97 1 . 1 1 27 27 ALA N N 27 120.204 120.204 122.150 -1.946 19431 98 1 . 1 1 28 28 GLN N N 28 114.627 114.627 117.622 -2.995 19431 99 1 . 1 1 28 28 GLN CB C 28 26.380 26.380 28.806 -2.426 19431 100 1 . 1 1 29 29 SER N N 29 115.031 115.031 112.998 2.033 19431 101 1 . 1 1 29 29 SER HA H 29 4.260 4.260 4.481 -0.221 19431 102 1 . 1 1 29 29 SER CA C 29 57.768 57.768 58.270 -0.502 19431 103 1 . 1 1 29 29 SER CB C 29 61.367 61.367 63.291 -1.924 19431 104 1 . 1 1 30 30 LYS N N 30 112.834 112.834 119.178 -6.344 19431 105 1 . 1 1 30 30 LYS HA H 30 4.228 4.228 3.796 0.432 19431 106 1 . 1 1 30 30 LYS CA C 30 56.103 56.103 57.070 -0.967 19431 107 1 . 1 1 30 30 LYS CB C 30 26.478 26.478 29.879 -3.401 19431 108 1 . 1 1 31 31 ASP N N 31 121.067 121.067 119.643 1.424 19431 109 1 . 1 1 31 31 ASP HA H 31 4.877 4.877 4.282 0.595 19431 110 1 . 1 1 31 31 ASP CA C 31 49.742 49.742 53.621 -3.879 19431 111 1 . 1 1 31 31 ASP CB C 31 38.652 38.652 42.507 -3.855 19431 112 1 . 1 1 32 32 TYR N N 32 126.671 126.671 121.428 5.243 19431 113 1 . 1 1 32 32 TYR HA H 32 3.311 3.311 4.455 -1.145 19431 114 1 . 1 1 32 32 TYR CA C 32 57.951 57.951 59.381 -1.430 19431 115 1 . 1 1 32 32 TYR CB C 32 36.158 36.158 39.089 -2.931 19431 116 1 . 1 1 33 33 GLU N N 33 115.884 115.884 119.122 -3.238 19431 117 1 . 1 1 33 33 GLU HA H 33 3.442 3.442 4.273 -0.831 19431 118 1 . 1 1 33 33 GLU CA C 33 56.757 56.757 58.582 -1.825 19431 119 1 . 1 1 33 33 GLU CB C 33 26.095 26.095 29.561 -3.466 19431 120 1 . 1 1 34 34 SER N N 34 116.060 116.060 115.167 0.893 19431 121 1 . 1 1 34 34 SER HA H 34 4.026 4.026 4.314 -0.288 19431 122 1 . 1 1 34 34 SER CA C 34 58.953 58.953 60.867 -1.914 19431 123 1 . 1 1 34 34 SER CB C 34 59.683 59.683 63.200 -3.517 19431 124 1 . 1 1 35 35 TRP N N 35 123.977 123.977 122.456 1.521 19431 125 1 . 1 1 35 35 TRP CA C 35 57.894 57.894 59.396 -1.502 19431 126 1 . 1 1 35 35 TRP CB C 35 25.531 25.531 29.553 -4.022 19431 127 1 . 1 1 36 36 LYS N N 36 117.633 117.633 119.805 -2.172 19431 128 1 . 1 1 36 36 LYS HA H 36 3.128 3.128 3.883 -0.755 19431 129 1 . 1 1 36 36 LYS CA C 36 55.998 55.998 59.862 -3.864 19431 130 1 . 1 1 36 36 LYS CB C 36 29.304 29.304 32.090 -2.786 19431 131 1 . 1 1 37 37 SER N N 37 109.835 109.835 113.286 -3.451 19431 132 1 . 1 1 37 37 SER HA H 37 3.989 3.989 4.264 -0.275 19431 133 1 . 1 1 37 37 SER CA C 37 57.765 57.765 60.463 -2.698 19431 134 1 . 1 1 37 37 SER CB C 37 60.606 60.606 62.798 -2.192 19431 135 1 . 1 1 38 38 ARG N N 38 119.946 119.946 118.944 1.002 19431 136 1 . 1 1 38 38 ARG HA H 38 4.144 4.144 4.201 -0.057 19431 137 1 . 1 1 38 38 ARG CA C 38 51.208 51.208 56.185 -4.977 19431 138 1 . 1 1 38 38 ARG CB C 38 25.717 25.717 30.341 -4.624 19431 139 1 . 1 1 39 39 PHE N N 39 117.529 117.529 117.438 0.091 19431 140 1 . 1 1 39 39 PHE HA H 39 4.855 4.855 4.874 -0.019 19431 141 1 . 1 1 39 39 PHE CA C 39 54.234 54.234 57.697 -3.463 19431 142 1 . 1 1 39 39 PHE CB C 39 37.547 37.547 40.362 -2.815 19431 143 1 . 1 1 40 40 THR N N 40 113.296 113.296 112.834 0.462 19431 144 1 . 1 1 40 40 THR HA H 40 3.991 3.991 4.342 -0.351 19431 145 1 . 1 1 40 40 THR CA C 40 59.704 59.704 61.317 -1.613 19431 146 1 . 1 1 40 40 THR CB C 40 66.175 66.175 70.480 -4.305 19431 147 1 . 1 1 41 41 LYS N N 41 124.924 124.924 121.368 3.556 19431 148 1 . 1 1 41 41 LYS HA H 41 3.713 3.713 4.024 -0.311 19431 149 1 . 1 1 41 41 LYS CA C 41 57.650 57.650 59.878 -2.228 19431 150 1 . 1 1 41 41 LYS CB C 41 29.363 29.363 31.998 -2.635 19431 151 1 . 1 1 42 42 ASP N N 42 116.255 116.255 119.542 -3.287 19431 152 1 . 1 1 42 42 ASP HA H 42 4.343 4.343 4.483 -0.140 19431 153 1 . 1 1 42 42 ASP CA C 42 53.841 53.841 56.968 -3.127 19431 154 1 . 1 1 42 42 ASP CB C 42 37.703 37.703 41.000 -3.297 19431 155 1 . 1 1 43 43 LEU N N 43 119.134 119.134 120.027 -0.893 19431 156 1 . 1 1 43 43 LEU HA H 43 4.320 4.320 4.037 0.283 19431 157 1 . 1 1 43 43 LEU CA C 43 52.423 52.423 57.309 -4.886 19431 158 1 . 1 1 43 43 LEU CB C 43 40.023 40.023 41.786 -1.763 19431 159 1 . 1 1 44 44 GLN N N 44 119.455 119.455 117.989 1.466 19431 160 1 . 1 1 44 44 GLN HA H 44 3.466 3.466 3.931 -0.465 19431 161 1 . 1 1 44 44 GLN CA C 44 57.437 57.437 58.801 -1.364 19431 162 1 . 1 1 44 44 GLN CB C 44 25.394 25.394 28.709 -3.315 19431 163 1 . 1 1 45 45 SER N N 45 110.605 110.605 113.145 -2.540 19431 164 1 . 1 1 45 45 SER HA H 45 4.211 4.211 4.453 -0.242 19431 165 1 . 1 1 45 45 SER CA C 45 57.621 57.621 59.660 -2.039 19431 166 1 . 1 1 45 45 SER CB C 45 60.094 60.094 63.446 -3.352 19431 167 1 . 1 1 46 46 SER N N 46 115.075 115.075 115.683 -0.608 19431 168 1 . 1 1 46 46 SER HA H 46 4.473 4.473 4.512 -0.039 19431 169 1 . 1 1 46 46 SER CA C 46 55.739 55.739 58.278 -2.539 19431 170 1 . 1 1 46 46 SER CB C 46 61.628 61.628 63.965 -2.337 19431 171 1 . 1 1 47 47 LEU N N 47 124.984 124.984 123.501 1.483 19431 172 1 . 1 1 47 47 LEU HA H 47 4.334 4.334 4.168 0.166 19431 173 1 . 1 1 47 47 LEU CA C 47 52.040 52.040 55.326 -3.286 19431 174 1 . 1 1 47 47 LEU CB C 47 39.810 39.810 42.357 -2.547 19431 175 1 . 1 1 48 48 THR N N 48 111.152 111.152 112.988 -1.836 19431 176 1 . 1 1 48 48 THR HA H 48 4.665 4.665 4.526 0.139 19431 177 1 . 1 1 48 48 THR CA C 48 56.718 56.718 60.627 -3.909 19431 178 1 . 1 1 48 48 THR CB C 48 69.103 69.103 70.490 -1.387 19431 179 1 . 1 1 49 49 GLU N N 49 124.552 124.552 124.687 -0.135 19431 180 1 . 1 1 49 49 GLU HA H 49 3.194 3.194 4.102 -0.908 19431 181 1 . 1 1 49 49 GLU CA C 49 56.770 56.770 59.652 -2.882 19431 182 1 . 1 1 49 49 GLU CB C 49 26.148 26.148 29.463 -3.316 19431 183 1 . 1 1 50 50 GLU N N 50 118.615 118.615 119.267 -0.652 19431 184 1 . 1 1 50 50 GLU HA H 50 4.000 4.000 4.026 -0.026 19431 185 1 . 1 1 50 50 GLU CA C 50 57.357 57.357 59.007 -1.650 19431 186 1 . 1 1 50 50 GLU CB C 50 26.511 26.511 29.245 -2.734 19431 187 1 . 1 1 51 51 SER N N 51 116.380 116.380 114.397 1.983 19431 188 1 . 1 1 51 51 SER HA H 51 4.256 4.256 4.340 -0.084 19431 189 1 . 1 1 51 51 SER CA C 51 58.825 58.825 60.806 -1.981 19431 190 1 . 1 1 51 51 SER CB C 51 59.884 59.884 63.183 -3.299 19431 191 1 . 1 1 52 52 TYR N N 52 125.611 125.611 116.667 8.944 19431 192 1 . 1 1 52 52 TYR CB C 52 36.647 36.647 38.727 -2.080 19431 193 1 . 1 1 53 53 ASP N N 53 119.653 119.653 120.492 -0.839 19431 194 1 . 1 1 53 53 ASP HA H 53 4.115 4.115 4.358 -0.243 19431 195 1 . 1 1 53 53 ASP CA C 53 54.553 54.553 56.351 -1.798 19431 196 1 . 1 1 53 53 ASP CB C 53 37.477 37.477 41.382 -3.904 19431 197 1 . 1 1 54 54 SER N N 54 114.883 114.883 116.026 -1.143 19431 198 1 . 1 1 54 54 SER HA H 54 3.946 3.946 4.180 -0.234 19431 199 1 . 1 1 54 54 SER CA C 54 59.741 59.741 61.180 -1.439 19431 200 1 . 1 1 54 54 SER CB C 54 59.750 59.750 63.263 -3.513 19431 201 1 . 1 1 55 55 TYR N N 55 123.933 123.933 122.109 1.824 19431 202 1 . 1 1 55 55 TYR HA H 55 4.361 4.361 4.310 0.051 19431 203 1 . 1 1 55 55 TYR CA C 55 57.213 57.213 60.607 -3.394 19431 204 1 . 1 1 55 55 TYR CB C 55 34.024 34.024 38.153 -4.128 19431 205 1 . 1 1 56 56 LEU N N 56 119.758 119.758 118.928 0.830 19431 206 1 . 1 1 56 56 LEU HA H 56 3.252 3.252 3.708 -0.457 19431 207 1 . 1 1 56 56 LEU CA C 56 54.681 54.681 57.384 -2.703 19431 208 1 . 1 1 56 56 LEU CB C 56 38.151 38.151 41.327 -3.176 19431 209 1 . 1 1 57 57 LYS N N 57 118.487 118.487 118.773 -0.286 19431 210 1 . 1 1 57 57 LYS HA H 57 3.852 3.852 4.080 -0.228 19431 211 1 . 1 1 57 57 LYS CA C 57 56.090 56.090 58.814 -2.724 19431 212 1 . 1 1 57 57 LYS CB C 57 29.683 29.683 31.936 -2.253 19431 213 1 . 1 1 58 58 ILE N N 58 120.887 120.887 118.715 2.172 19431 214 1 . 1 1 58 58 ILE HA H 58 3.591 3.591 3.776 -0.185 19431 215 1 . 1 1 58 58 ILE CA C 58 61.366 61.366 64.113 -2.747 19431 216 1 . 1 1 58 58 ILE CB C 58 35.144 35.144 37.901 -2.756 19431 217 1 . 1 1 59 59 LEU N N 59 122.273 122.273 121.285 0.988 19431 218 1 . 1 1 59 59 LEU HA H 59 3.437 3.437 3.668 -0.231 19431 219 1 . 1 1 59 59 LEU CA C 59 54.847 54.847 58.171 -3.324 19431 220 1 . 1 1 59 59 LEU CB C 59 39.071 39.071 41.474 -2.403 19431 221 1 . 1 1 60 60 GLU N N 60 118.591 118.591 116.976 1.615 19431 222 1 . 1 1 60 60 GLU HA H 60 3.810 3.810 3.992 -0.182 19431 223 1 . 1 1 60 60 GLU CA C 60 56.156 56.156 58.830 -2.674 19431 224 1 . 1 1 60 60 GLU CB C 60 26.820 26.820 29.589 -2.769 19431 225 1 . 1 1 61 61 LYS N N 61 115.698 115.698 115.226 0.472 19431 226 1 . 1 1 61 61 LYS HA H 61 4.029 4.029 4.417 -0.388 19431 227 1 . 1 1 61 61 LYS CA C 61 54.164 54.164 56.348 -2.184 19431 228 1 . 1 1 61 61 LYS CB C 61 29.581 29.581 32.439 -2.858 19431 229 1 . 1 1 62 62 GLN N N 62 114.863 114.863 118.083 -3.220 19431 230 1 . 1 1 62 62 GLN HA H 62 3.851 3.851 4.367 -0.516 19431 231 1 . 1 1 62 62 GLN CA C 62 52.258 52.258 55.296 -3.038 19431 232 1 . 1 1 62 62 GLN CB C 62 25.186 25.186 29.552 -4.366 19431 233 1 . 1 1 63 63 GLY N N 63 101.724 101.724 107.961 -6.237 19431 234 1 . 1 1 63 63 GLY CA C 63 41.815 41.815 44.799 -2.984 19431 235 1 . 1 1 64 64 GLU N N 64 118.731 118.731 120.531 -1.800 19431 236 1 . 1 1 64 64 GLU HA H 64 4.137 4.137 4.724 -0.587 19431 237 1 . 1 1 64 64 GLU CA C 64 54.598 54.598 54.489 0.109 19431 238 1 . 1 1 64 64 GLU CB C 64 28.312 28.312 32.183 -3.870 19431 239 1 . 1 1 65 65 PHE N N 65 123.366 123.366 124.078 -0.712 19431 240 1 . 1 1 65 65 PHE HA H 65 3.825 3.825 3.928 -0.103 19431 241 1 . 1 1 65 65 PHE CA C 65 57.419 57.419 58.616 -1.197 19431 242 1 . 1 1 65 65 PHE CB C 65 36.666 36.666 39.071 -2.405 19431 243 1 . 1 1 66 66 LYS N N 66 125.336 125.336 126.098 -0.762 19431 244 1 . 1 1 66 66 LYS HA H 66 4.168 4.168 4.015 0.153 19431 245 1 . 1 1 66 66 LYS CA C 66 53.226 53.226 56.006 -2.780 19431 246 1 . 1 1 66 66 LYS CB C 66 30.293 30.293 34.131 -3.838 19431 247 1 . 1 1 67 67 GLU N N 67 112.076 112.076 117.300 -5.224 19431 248 1 . 1 1 67 67 GLU HA H 67 4.069 4.069 4.095 -0.026 19431 249 1 . 1 1 67 67 GLU CA C 67 52.907 52.907 55.649 -2.742 19431 250 1 . 1 1 67 67 GLU CB C 67 29.378 29.378 32.106 -2.728 19431 251 1 . 1 1 68 68 PHE N N 68 118.706 118.706 120.235 -1.529 19431 252 1 . 1 1 68 68 PHE CB C 68 38.408 38.408 40.704 -2.296 19431 253 1 . 1 1 69 69 GLY N N 69 112.889 112.889 110.413 2.476 19431 254 1 . 1 1 69 69 GLY CA C 69 41.353 41.353 44.674 -3.321 19431 255 1 . 1 1 70 70 LYS N N 70 122.409 122.409 119.515 2.894 19431 256 1 . 1 1 70 70 LYS HA H 70 4.085 4.085 4.477 -0.392 19431 257 1 . 1 1 70 70 LYS CA C 70 54.418 54.418 56.121 -1.703 19431 258 1 . 1 1 70 70 LYS CB C 70 31.197 31.197 34.432 -3.235 19431 259 1 . 1 1 71 71 CYS N N 71 118.509 118.509 122.289 -3.780 19431 260 1 . 1 1 71 71 CYS HA H 71 5.332 5.332 5.287 0.044 19431 261 1 . 1 1 71 71 CYS CA C 71 54.655 54.655 56.634 -1.979 19431 262 1 . 1 1 71 71 CYS CB C 71 28.223 28.223 28.109 0.114 19431 263 1 . 1 1 72 72 THR N N 72 120.129 120.129 121.811 -1.682 19431 264 1 . 1 1 72 72 THR HA H 72 4.272 4.272 4.348 -0.076 19431 265 1 . 1 1 72 72 THR CA C 72 58.652 58.652 62.000 -3.348 19431 266 1 . 1 1 72 72 THR CB C 72 68.199 68.199 69.800 -1.601 19431 267 1 . 1 1 73 73 TYR N N 73 122.772 122.772 125.085 -2.313 19431 268 1 . 1 1 73 73 TYR HA H 73 5.034 5.034 4.990 0.044 19431 269 1 . 1 1 73 73 TYR CA C 73 55.497 55.497 57.502 -2.005 19431 270 1 . 1 1 73 73 TYR CB C 73 38.271 38.271 40.090 -1.819 19431 271 1 . 1 1 74 74 LEU N N 74 117.980 117.980 119.010 -1.029 19431 272 1 . 1 1 74 74 LEU HA H 74 4.466 4.466 4.904 -0.438 19431 273 1 . 1 1 74 74 LEU CA C 74 51.805 51.805 53.578 -1.773 19431 274 1 . 1 1 74 74 LEU CB C 74 42.030 42.030 45.662 -3.632 19431 275 1 . 1 1 75 75 GLY N N 75 105.257 105.257 106.453 -1.196 19431 276 1 . 1 1 75 75 GLY CA C 75 42.799 42.799 44.575 -1.776 19431 277 1 . 1 1 76 76 GLN N N 76 119.071 119.071 118.502 0.569 19431 278 1 . 1 1 76 76 GLN HA H 76 4.938 4.938 5.003 -0.065 19431 279 1 . 1 1 76 76 GLN CA C 76 52.495 52.495 54.756 -2.261 19431 280 1 . 1 1 76 76 GLN CB C 76 30.498 30.498 33.106 -2.608 19431 281 1 . 1 1 77 77 ILE N N 77 123.550 123.550 122.634 0.916 19431 282 1 . 1 1 77 77 ILE HA H 77 4.992 4.992 5.121 -0.129 19431 283 1 . 1 1 77 77 ILE CA C 77 57.239 57.239 60.325 -3.086 19431 284 1 . 1 1 77 77 ILE CB C 77 36.664 36.664 39.697 -3.033 19431 285 1 . 1 1 78 78 LYS N N 78 127.532 127.532 128.004 -0.472 19431 286 1 . 1 1 78 78 LYS HA H 78 4.585 4.585 4.284 0.301 19431 287 1 . 1 1 78 78 LYS CA C 78 52.768 52.768 58.138 -5.370 19431 288 1 . 1 1 78 78 LYS CB C 78 32.536 32.536 33.140 -0.604 19431 289 1 . 1 1 79 79 ASP N N 79 128.019 128.019 118.074 9.945 19431 290 1 . 1 1 79 79 ASP HA H 79 4.168 4.168 4.602 -0.434 19431 291 1 . 1 1 79 79 ASP CA C 79 53.258 53.258 55.884 -2.626 19431 292 1 . 1 1 79 79 ASP CB C 79 36.826 36.826 41.424 -4.598 19431 293 1 . 1 1 80 80 ASN N N 80 110.608 110.608 116.321 -5.713 19431 294 1 . 1 1 80 80 ASN HA H 80 4.168 4.168 4.776 -0.608 19431 295 1 . 1 1 80 80 ASN CA C 80 51.912 51.912 53.166 -1.254 19431 296 1 . 1 1 80 80 ASN CB C 80 35.506 35.506 40.065 -4.559 19431 297 1 . 1 1 81 81 LYS N N 81 121.116 121.116 121.214 -0.098 19431 298 1 . 1 1 81 81 LYS HA H 81 4.482 4.482 4.489 -0.007 19431 299 1 . 1 1 81 81 LYS CA C 81 52.353 52.353 54.823 -2.470 19431 300 1 . 1 1 81 81 LYS CB C 81 32.119 32.119 34.092 -1.973 19431 301 1 . 1 1 82 82 LYS N N 82 119.259 119.259 122.864 -3.605 19431 302 1 . 1 1 82 82 LYS HA H 82 4.765 4.765 5.228 -0.463 19431 303 1 . 1 1 82 82 LYS CA C 82 52.722 52.722 55.231 -2.509 19431 304 1 . 1 1 82 82 LYS CB C 82 32.934 32.934 35.240 -2.306 19431 305 1 . 1 1 83 83 TYR N N 83 118.176 118.176 120.289 -2.113 19431 306 1 . 1 1 83 83 TYR HA H 83 5.275 5.275 4.957 0.318 19431 307 1 . 1 1 83 83 TYR CA C 83 53.383 53.383 56.723 -3.340 19431 308 1 . 1 1 83 83 TYR CB C 83 38.026 38.026 43.053 -5.027 19431 309 1 . 1 1 84 84 GLY N N 84 111.686 111.686 108.240 3.446 19431 310 1 . 1 1 84 84 GLY CA C 84 41.219 41.219 42.972 -1.753 19431 311 1 . 1 1 85 85 GLY N N 85 111.232 111.232 109.675 1.557 19431 312 1 . 1 1 85 85 GLY CA C 85 42.272 42.272 43.096 -0.824 19431 313 1 . 1 1 86 86 VAL N N 86 115.256 115.256 121.285 -6.029 19431 314 1 . 1 1 86 86 VAL HA H 86 5.127 5.127 4.932 0.195 19431 315 1 . 1 1 86 86 VAL CA C 86 55.741 55.741 60.305 -4.564 19431 316 1 . 1 1 86 86 VAL CB C 86 33.129 33.129 35.102 -1.973 19431 317 1 . 1 1 87 87 ILE N N 87 125.124 125.124 130.397 -5.273 19431 318 1 . 1 1 87 87 ILE HA H 87 5.206 5.206 4.534 0.672 19431 319 1 . 1 1 87 87 ILE CA C 87 57.168 57.168 60.687 -3.518 19431 320 1 . 1 1 87 87 ILE CB C 87 36.590 36.590 37.608 -1.018 19431 321 1 . 1 1 88 88 ILE N N 88 128.056 128.056 128.972 -0.916 19431 322 1 . 1 1 88 88 ILE HA H 88 5.146 5.146 4.691 0.455 19431 323 1 . 1 1 88 88 ILE CA C 88 55.356 55.356 59.365 -4.009 19431 324 1 . 1 1 88 88 ILE CB C 88 39.847 39.847 39.678 0.169 19431 325 1 . 1 1 89 89 VAL N N 89 128.326 128.326 129.613 -1.287 19431 326 1 . 1 1 89 89 VAL HA H 89 4.387 4.387 4.458 -0.071 19431 327 1 . 1 1 89 89 VAL CA C 89 59.839 59.839 62.663 -2.824 19431 328 1 . 1 1 89 89 VAL CB C 89 30.295 30.295 32.511 -2.216 19431 329 1 . 1 1 90 90 VAL N N 90 128.738 128.738 127.952 0.786 19431 330 1 . 1 1 90 90 VAL HA H 90 4.207 4.207 4.743 -0.536 19431 331 1 . 1 1 90 90 VAL CA C 90 59.722 59.722 60.804 -1.082 19431 332 1 . 1 1 90 90 VAL CB C 90 31.537 31.537 34.486 -2.949 19431 333 1 . 1 1 91 91 LYS N N 91 126.004 126.004 129.085 -3.081 19431 334 1 . 1 1 91 91 LYS HA H 91 4.629 4.629 4.658 -0.029 19431 335 1 . 1 1 91 91 LYS CA C 91 52.972 52.972 55.467 -2.495 19431 336 1 . 1 1 91 91 LYS CB C 91 30.789 30.789 31.932 -1.143 19431 337 1 . 1 1 92 92 TYR N N 92 123.932 123.932 124.620 -0.688 19431 338 1 . 1 1 92 92 TYR HA H 92 4.940 4.940 4.651 0.289 19431 339 1 . 1 1 92 92 TYR CA C 92 53.905 53.905 58.362 -4.457 19431 340 1 . 1 1 92 92 TYR CB C 92 39.331 39.331 39.557 -0.226 19431 341 1 . 1 1 93 93 GLU N N 93 122.195 122.195 119.737 2.458 19431 342 1 . 1 1 93 93 GLU HA H 93 3.834 3.834 4.107 -0.273 19431 343 1 . 1 1 93 93 GLU CA C 93 57.465 57.465 59.031 -1.566 19431 344 1 . 1 1 93 93 GLU CB C 93 28.695 28.695 30.041 -1.346 19431 345 1 . 1 1 94 94 GLU N N 94 110.219 110.219 115.253 -5.034 19431 346 1 . 1 1 94 94 GLU HA H 94 4.440 4.440 4.555 -0.115 19431 347 1 . 1 1 94 94 GLU CA C 94 52.555 52.555 56.133 -3.578 19431 348 1 . 1 1 94 94 GLU CB C 94 26.861 26.861 31.955 -5.094 19431 349 1 . 1 1 95 95 GLY N N 95 106.566 106.566 108.310 -1.744 19431 350 1 . 1 1 95 95 GLY CA C 95 42.542 42.542 44.809 -2.267 19431 351 1 . 1 1 96 96 ASN N N 96 116.707 116.707 120.605 -3.898 19431 352 1 . 1 1 96 96 ASN HA H 96 5.720 5.720 5.823 -0.103 19431 353 1 . 1 1 96 96 ASN CA C 96 49.003 49.003 52.373 -3.370 19431 354 1 . 1 1 96 96 ASN CB C 96 37.602 37.602 40.664 -3.062 19431 355 1 . 1 1 97 97 VAL N N 97 122.002 122.002 123.970 -1.968 19431 356 1 . 1 1 97 97 VAL HA H 97 4.117 4.117 4.168 -0.051 19431 357 1 . 1 1 97 97 VAL CA C 97 58.404 58.404 60.937 -2.533 19431 358 1 . 1 1 97 97 VAL CB C 97 33.456 33.456 32.742 0.714 19431 359 1 . 1 1 98 98 ASN N N 98 124.376 124.376 126.649 -2.273 19431 360 1 . 1 1 98 98 ASN HA H 98 5.135 5.135 4.902 0.233 19431 361 1 . 1 1 98 98 ASN CA C 98 48.630 48.630 52.565 -3.935 19431 362 1 . 1 1 98 98 ASN CB C 98 36.031 36.031 38.069 -2.038 19431 363 1 . 1 1 99 99 TYR N N 99 123.932 123.932 124.702 -0.770 19431 364 1 . 1 1 99 99 TYR HA H 99 4.640 4.640 4.544 0.096 19431 365 1 . 1 1 99 99 TYR CA C 99 55.468 55.468 58.625 -3.157 19431 366 1 . 1 1 99 99 TYR CB C 99 38.122 38.122 37.819 0.303 19431 367 1 . 1 1 100 100 SER N N 100 115.327 115.327 120.627 -5.300 19431 368 1 . 1 1 100 100 SER HA H 100 5.242 5.242 4.738 0.504 19431 369 1 . 1 1 100 100 SER CA C 100 53.767 53.767 58.169 -4.402 19431 370 1 . 1 1 100 100 SER CB C 100 60.649 60.649 62.427 -1.778 19431 371 1 . 1 1 101 101 LEU N N 101 130.521 130.521 127.609 2.912 19431 372 1 . 1 1 101 101 LEU HA H 101 4.978 4.978 4.890 0.088 19431 373 1 . 1 1 101 101 LEU CA C 101 51.756 51.756 53.833 -2.077 19431 374 1 . 1 1 101 101 LEU CB C 101 42.765 42.765 43.446 -0.681 19431 375 1 . 1 1 102 102 ALA N N 102 121.373 121.373 125.679 -4.306 19431 376 1 . 1 1 102 102 ALA HA H 102 4.994 4.994 5.123 -0.129 19431 377 1 . 1 1 102 102 ALA CA C 102 48.505 48.505 50.366 -1.861 19431 378 1 . 1 1 102 102 ALA CB C 102 19.355 19.355 22.688 -3.333 19431 379 1 . 1 1 103 103 TYR N N 103 120.633 120.633 119.262 1.371 19431 380 1 . 1 1 103 103 TYR HA H 103 5.311 5.311 5.596 -0.285 19431 381 1 . 1 1 103 103 TYR CA C 103 55.519 55.519 55.181 0.338 19431 382 1 . 1 1 103 103 TYR CB C 103 42.037 42.037 40.821 1.216 19431 383 1 . 1 1 104 104 ASP N N 104 118.129 118.129 119.554 -1.425 19431 384 1 . 1 1 104 104 ASP HA H 104 5.163 5.163 4.763 0.400 19431 385 1 . 1 1 104 104 ASP CA C 104 49.372 49.372 52.507 -3.134 19431 386 1 . 1 1 104 104 ASP CB C 104 39.054 39.054 42.827 -3.773 19431 387 1 . 1 1 105 105 GLU N N 105 115.031 115.031 118.669 -3.638 19431 388 1 . 1 1 105 105 GLU HA H 105 3.624 3.624 4.232 -0.608 19431 389 1 . 1 1 105 105 GLU CA C 105 55.976 55.976 58.703 -2.727 19431 390 1 . 1 1 105 105 GLU CB C 105 27.111 27.111 29.694 -2.583 19431 391 1 . 1 1 106 106 ASP N N 106 119.038 119.038 118.260 0.778 19431 392 1 . 1 1 107 107 MET N N 107 111.995 111.995 114.220 -2.225 19431 393 1 . 1 1 107 107 MET HA H 107 4.343 4.343 4.042 0.301 19431 394 1 . 1 1 107 107 MET CA C 107 51.671 51.671 55.882 -4.211 19431 395 1 . 1 1 107 107 MET CB C 107 21.629 21.629 31.975 -10.345 19431 396 1 . 1 1 108 108 ASN N N 108 117.079 117.079 118.052 -0.973 19431 397 1 . 1 1 108 108 ASN HA H 108 5.111 5.111 5.031 0.080 19431 398 1 . 1 1 108 108 ASN CA C 108 49.519 49.519 52.445 -2.927 19431 399 1 . 1 1 108 108 ASN CB C 108 37.221 37.221 39.737 -2.516 19431 400 1 . 1 1 109 109 LEU N N 109 122.211 122.211 123.780 -1.569 19431 401 1 . 1 1 109 109 LEU HA H 109 4.020 4.020 4.213 -0.193 19431 402 1 . 1 1 109 109 LEU CA C 109 52.898 52.898 56.134 -3.236 19431 403 1 . 1 1 109 109 LEU CB C 109 40.774 40.774 40.792 -0.018 19431 404 1 . 1 1 110 110 VAL N N 110 109.806 109.806 126.253 -16.447 19431 405 1 . 1 1 110 110 VAL HA H 110 4.551 4.551 4.293 0.258 19431 406 1 . 1 1 110 110 VAL CA C 110 57.276 57.276 62.475 -5.199 19431 407 1 . 1 1 110 110 VAL CB C 110 30.242 30.242 33.517 -3.275 19431 408 1 . 1 1 111 111 SER N N 111 113.487 113.487 115.192 -1.705 19431 409 1 . 1 1 111 111 SER HA H 111 4.476 4.476 4.722 -0.246 19431 410 1 . 1 1 111 111 SER CA C 111 55.637 55.637 58.239 -2.602 19431 411 1 . 1 1 111 111 SER CB C 111 61.288 61.288 64.882 -3.594 19431 412 1 . 1 1 112 112 PHE N N 112 126.988 126.988 126.719 0.269 19431 413 1 . 1 1 112 112 PHE HA H 112 4.991 4.991 5.127 -0.136 19431 414 1 . 1 1 112 112 PHE CA C 112 55.305 55.305 57.021 -1.716 19431 415 1 . 1 1 112 112 PHE CB C 112 40.128 40.128 41.660 -1.532 19431 416 1 . 1 1 113 113 THR N N 113 120.333 120.333 121.557 -1.224 19431 417 1 . 1 1 113 113 THR HA H 113 4.775 4.775 4.445 0.330 19431 418 1 . 1 1 113 113 THR CA C 113 57.888 57.888 60.540 -2.652 19431 419 1 . 1 1 113 113 THR CB C 113 69.193 69.193 71.594 -2.401 19431 stop_ save_