data_19511 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19511 _Entry.PDB_ID 2ME0 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 19511 _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 3 3 PRO HA H 3 4.499 4.499 4.376 0.123 19511 2 1 1 . 1 1 3 3 PRO CA C 3 61.077 61.077 62.818 -1.741 19511 3 1 1 . 1 1 3 3 PRO CB C 3 29.635 29.635 32.523 -2.888 19511 4 1 1 . 1 1 4 4 GLY N N 4 109.482 109.482 108.950 0.532 19511 5 1 1 . 1 1 4 4 GLY CA C 4 42.963 42.963 44.964 -2.001 19511 6 1 1 . 1 1 4 4 GLY H H 4 8.521 8.521 8.032 0.489 19511 7 1 1 . 1 1 5 5 GLY N N 5 108.605 108.605 108.416 0.189 19511 8 1 1 . 1 1 5 5 GLY CA C 5 42.869 42.869 44.646 -1.777 19511 9 1 1 . 1 1 5 5 GLY H H 5 8.245 8.245 8.285 -0.040 19511 10 1 1 . 1 1 6 6 LYS N N 6 120.900 120.900 124.254 -3.354 19511 11 1 1 . 1 1 6 6 LYS HA H 6 4.454 4.454 4.338 0.116 19511 12 1 1 . 1 1 6 6 LYS CA C 6 53.594 53.594 56.358 -2.764 19511 13 1 1 . 1 1 6 6 LYS CB C 6 31.034 31.034 31.569 -0.535 19511 14 1 1 . 1 1 6 6 LYS H H 6 8.201 8.201 8.443 -0.242 19511 15 1 1 . 1 1 7 7 SER N N 7 118.055 118.055 118.260 -0.205 19511 16 1 1 . 1 1 7 7 SER HA H 7 4.533 4.533 4.589 -0.056 19511 17 1 1 . 1 1 7 7 SER CA C 7 55.637 55.637 58.099 -2.462 19511 18 1 1 . 1 1 7 7 SER CB C 7 61.343 61.343 64.404 -3.061 19511 19 1 1 . 1 1 7 7 SER H H 7 8.425 8.425 8.068 0.357 19511 20 1 1 . 1 1 8 8 ARG HA H 8 4.547 4.547 4.453 0.094 19511 21 1 1 . 1 1 8 8 ARG CA C 8 53.146 53.146 56.085 -2.939 19511 22 1 1 . 1 1 8 8 ARG CB C 8 29.317 29.317 32.294 -2.977 19511 23 1 1 . 1 1 9 9 ARG N N 9 124.954 124.954 124.966 -0.012 19511 24 1 1 . 1 1 9 9 ARG HA H 9 4.321 4.321 4.321 -0.000 19511 25 1 1 . 1 1 9 9 ARG CA C 9 54.049 54.049 55.928 -1.879 19511 26 1 1 . 1 1 9 9 ARG CB C 9 28.705 28.705 30.860 -2.155 19511 27 1 1 . 1 1 9 9 ARG H H 9 9.037 9.037 8.528 0.509 19511 28 1 1 . 1 1 10 10 ARG N N 10 122.493 122.493 126.652 -4.159 19511 29 1 1 . 1 1 10 10 ARG HA H 10 4.322 4.322 4.259 0.063 19511 30 1 1 . 1 1 10 10 ARG CA C 10 53.971 53.971 56.714 -2.743 19511 31 1 1 . 1 1 10 10 ARG CB C 10 28.386 28.386 30.330 -1.944 19511 32 1 1 . 1 1 10 10 ARG H H 10 8.350 8.350 8.714 -0.364 19511 33 1 1 . 1 1 11 11 ARG N N 11 123.361 123.361 125.910 -2.549 19511 34 1 1 . 1 1 11 11 ARG HA H 11 4.312 4.312 4.465 -0.153 19511 35 1 1 . 1 1 11 11 ARG CA C 11 53.146 53.146 55.981 -2.835 19511 36 1 1 . 1 1 11 11 ARG CB C 11 30.162 30.162 31.172 -1.010 19511 37 1 1 . 1 1 11 11 ARG H H 11 8.508 8.508 8.289 0.219 19511 38 1 1 . 1 1 12 12 THR N N 12 126.287 126.287 111.502 14.785 19511 39 1 1 . 1 1 12 12 THR HA H 12 3.790 3.790 4.406 -0.616 19511 40 1 1 . 1 1 12 12 THR CA C 12 62.948 62.948 60.357 2.591 19511 41 1 1 . 1 1 12 12 THR CB C 12 66.854 66.854 70.908 -4.054 19511 42 1 1 . 1 1 12 12 THR H H 12 8.068 8.068 7.387 0.681 19511 43 1 1 . 1 1 13 13 ALA N N 13 129.745 129.745 124.319 5.426 19511 44 1 1 . 1 1 13 13 ALA HA H 13 4.664 4.664 4.665 -0.001 19511 45 1 1 . 1 1 13 13 ALA CA C 13 47.602 47.602 51.257 -3.655 19511 46 1 1 . 1 1 13 13 ALA CB C 13 16.412 16.412 18.924 -2.512 19511 47 1 1 . 1 1 13 13 ALA H H 13 8.317 8.317 8.127 0.190 19511 48 1 1 . 1 1 14 14 PHE N N 14 124.589 124.589 118.335 6.254 19511 49 1 1 . 1 1 14 14 PHE HA H 14 4.708 4.708 4.872 -0.164 19511 50 1 1 . 1 1 14 14 PHE CA C 14 56.288 56.288 55.421 0.867 19511 51 1 1 . 1 1 14 14 PHE CB C 14 38.229 38.229 39.896 -1.667 19511 52 1 1 . 1 1 14 14 PHE H H 14 8.594 8.594 7.675 0.919 19511 53 1 1 . 1 1 15 15 THR N N 15 113.746 113.746 112.329 1.417 19511 54 1 1 . 1 1 15 15 THR HA H 15 4.575 4.575 4.653 -0.078 19511 55 1 1 . 1 1 15 15 THR CA C 15 58.027 58.027 59.121 -1.094 19511 56 1 1 . 1 1 15 15 THR CB C 15 68.256 68.256 71.079 -2.823 19511 57 1 1 . 1 1 15 15 THR H H 15 9.053 9.053 8.041 1.012 19511 58 1 1 . 1 1 16 16 SER N N 16 116.624 116.624 118.932 -2.308 19511 59 1 1 . 1 1 16 16 SER HA H 16 4.713 4.713 4.198 0.515 19511 60 1 1 . 1 1 16 16 SER CA C 16 59.750 59.750 60.992 -1.242 19511 61 1 1 . 1 1 16 16 SER CB C 16 59.639 59.639 63.291 -3.652 19511 62 1 1 . 1 1 16 16 SER H H 16 9.092 9.092 8.714 0.378 19511 63 1 1 . 1 1 17 17 GLU N N 17 120.287 120.287 120.502 -0.215 19511 64 1 1 . 1 1 17 17 GLU HA H 17 4.081 4.081 4.058 0.023 19511 65 1 1 . 1 1 17 17 GLU CA C 17 57.565 57.565 58.765 -1.200 19511 66 1 1 . 1 1 17 17 GLU CB C 17 26.998 26.998 29.792 -2.794 19511 67 1 1 . 1 1 17 17 GLU H H 17 8.560 8.560 8.041 0.519 19511 68 1 1 . 1 1 18 18 GLN N N 18 118.169 118.169 118.462 -0.293 19511 69 1 1 . 1 1 18 18 GLN HA H 18 3.898 3.898 4.082 -0.184 19511 70 1 1 . 1 1 18 18 GLN CA C 18 56.609 56.609 57.991 -1.382 19511 71 1 1 . 1 1 18 18 GLN CB C 18 32.647 32.647 28.511 4.136 19511 72 1 1 . 1 1 18 18 GLN H H 18 7.769 7.769 7.874 -0.105 19511 73 1 1 . 1 1 19 19 LEU N N 19 116.929 116.929 120.154 -3.225 19511 74 1 1 . 1 1 19 19 LEU HA H 19 3.655 3.655 4.061 -0.406 19511 75 1 1 . 1 1 19 19 LEU CA C 19 55.390 55.390 55.787 -0.397 19511 76 1 1 . 1 1 19 19 LEU CB C 19 39.414 39.414 41.506 -2.092 19511 77 1 1 . 1 1 19 19 LEU H H 19 8.227 8.227 7.998 0.229 19511 78 1 1 . 1 1 20 20 LEU N N 20 118.864 118.864 120.299 -1.435 19511 79 1 1 . 1 1 20 20 LEU HA H 20 4.034 4.034 3.888 0.146 19511 80 1 1 . 1 1 20 20 LEU CA C 20 55.765 55.765 58.764 -2.999 19511 81 1 1 . 1 1 20 20 LEU CB C 20 39.758 39.758 41.370 -1.612 19511 82 1 1 . 1 1 20 20 LEU H H 20 8.037 8.037 7.214 0.823 19511 83 1 1 . 1 1 21 21 GLU N N 21 118.147 118.147 117.328 0.819 19511 84 1 1 . 1 1 21 21 GLU HA H 21 4.159 4.159 3.970 0.189 19511 85 1 1 . 1 1 21 21 GLU CA C 21 56.062 56.062 59.229 -3.167 19511 86 1 1 . 1 1 21 21 GLU CB C 21 27.576 27.576 28.621 -1.045 19511 87 1 1 . 1 1 21 21 GLU H H 21 7.491 7.491 8.348 -0.857 19511 88 1 1 . 1 1 22 22 LEU N N 22 122.316 122.316 119.347 2.969 19511 89 1 1 . 1 1 22 22 LEU HA H 22 3.534 3.534 3.916 -0.382 19511 90 1 1 . 1 1 22 22 LEU CA C 22 56.091 56.091 56.913 -0.821 19511 91 1 1 . 1 1 22 22 LEU CB C 22 35.557 35.557 41.733 -6.176 19511 92 1 1 . 1 1 22 22 LEU H H 22 8.254 8.254 7.641 0.613 19511 93 1 1 . 1 1 23 23 GLU N N 23 117.645 117.645 116.876 0.769 19511 94 1 1 . 1 1 23 23 GLU HA H 23 4.319 4.319 4.446 -0.127 19511 95 1 1 . 1 1 23 23 GLU CA C 23 56.627 56.627 58.008 -1.381 19511 96 1 1 . 1 1 23 23 GLU CB C 23 26.800 26.800 29.995 -3.195 19511 97 1 1 . 1 1 23 23 GLU H H 23 8.084 8.084 7.626 0.458 19511 98 1 1 . 1 1 24 24 LYS N N 24 120.989 120.989 122.195 -1.206 19511 99 1 1 . 1 1 24 24 LYS HA H 24 4.088 4.088 4.019 0.069 19511 100 1 1 . 1 1 24 24 LYS CA C 24 57.392 57.392 60.040 -2.648 19511 101 1 1 . 1 1 24 24 LYS H H 24 7.884 7.884 8.496 -0.612 19511 102 1 1 . 1 1 25 25 GLU N N 25 119.686 119.686 119.723 -0.037 19511 103 1 1 . 1 1 25 25 GLU HA H 25 4.325 4.325 4.113 0.212 19511 104 1 1 . 1 1 25 25 GLU CA C 25 56.529 56.529 59.071 -2.542 19511 105 1 1 . 1 1 25 25 GLU CB C 25 26.344 26.344 29.173 -2.829 19511 106 1 1 . 1 1 25 25 GLU H H 25 8.179 8.179 7.913 0.266 19511 107 1 1 . 1 1 26 26 PHE N N 26 121.229 121.229 118.546 2.683 19511 108 1 1 . 1 1 26 26 PHE HA H 26 4.769 4.769 4.704 0.065 19511 109 1 1 . 1 1 26 26 PHE CA C 26 57.746 57.746 61.156 -3.410 19511 110 1 1 . 1 1 26 26 PHE CB C 26 41.554 41.554 39.213 2.341 19511 111 1 1 . 1 1 26 26 PHE H H 26 8.896 8.896 8.357 0.539 19511 112 1 1 . 1 1 27 27 HIS N N 27 115.789 115.789 116.902 -1.113 19511 113 1 1 . 1 1 27 27 HIS HA H 27 4.069 4.069 4.535 -0.466 19511 114 1 1 . 1 1 27 27 HIS CA C 27 56.598 56.598 58.278 -1.679 19511 115 1 1 . 1 1 27 27 HIS CB C 27 27.235 27.235 31.000 -3.765 19511 116 1 1 . 1 1 27 27 HIS H H 27 8.110 8.110 8.258 -0.148 19511 117 1 1 . 1 1 28 28 CYS N N 28 115.311 115.311 118.991 -3.680 19511 118 1 1 . 1 1 28 28 CYS HA H 28 4.553 4.553 4.289 0.264 19511 119 1 1 . 1 1 28 28 CYS CA C 28 54.270 54.270 60.143 -5.873 19511 120 1 1 . 1 1 28 28 CYS CB C 28 39.551 39.551 29.545 10.006 19511 121 1 1 . 1 1 28 28 CYS H H 28 7.470 7.470 7.839 -0.369 19511 122 1 1 . 1 1 29 29 LYS N N 29 122.013 122.013 116.318 5.695 19511 123 1 1 . 1 1 29 29 LYS HA H 29 4.412 4.412 4.470 -0.058 19511 124 1 1 . 1 1 29 29 LYS CA C 29 53.840 53.840 54.977 -1.137 19511 125 1 1 . 1 1 29 29 LYS CB C 29 32.448 32.448 33.536 -1.088 19511 126 1 1 . 1 1 29 29 LYS H H 29 8.648 8.648 8.084 0.564 19511 127 1 1 . 1 1 30 30 LYS N N 30 117.519 117.519 119.983 -2.464 19511 128 1 1 . 1 1 30 30 LYS HA H 30 3.837 3.837 3.879 -0.042 19511 129 1 1 . 1 1 30 30 LYS CA C 30 53.748 53.748 56.576 -2.828 19511 130 1 1 . 1 1 30 30 LYS CB C 30 30.195 30.195 32.119 -1.924 19511 131 1 1 . 1 1 30 30 LYS H H 30 7.887 7.887 8.358 -0.471 19511 132 1 1 . 1 1 31 31 TYR N N 31 112.770 112.770 112.991 -0.221 19511 133 1 1 . 1 1 31 31 TYR HA H 31 4.591 4.591 4.762 -0.171 19511 134 1 1 . 1 1 31 31 TYR CA C 31 53.415 53.415 55.282 -1.867 19511 135 1 1 . 1 1 31 31 TYR CB C 31 39.905 39.905 40.031 -0.126 19511 136 1 1 . 1 1 31 31 TYR H H 31 7.368 7.368 6.710 0.658 19511 137 1 1 . 1 1 32 32 LEU N N 32 120.286 120.286 124.608 -4.322 19511 138 1 1 . 1 1 32 32 LEU HA H 32 4.766 4.766 4.658 0.108 19511 139 1 1 . 1 1 32 32 LEU CA C 32 50.290 50.290 53.924 -3.634 19511 140 1 1 . 1 1 32 32 LEU CB C 32 42.846 42.846 43.884 -1.038 19511 141 1 1 . 1 1 32 32 LEU H H 32 8.442 8.442 8.451 -0.009 19511 142 1 1 . 1 1 33 33 SER N N 33 120.490 120.490 118.471 2.019 19511 143 1 1 . 1 1 33 33 SER HA H 33 4.045 4.045 4.493 -0.448 19511 144 1 1 . 1 1 33 33 SER CA C 33 54.957 54.957 57.983 -3.026 19511 145 1 1 . 1 1 33 33 SER CB C 33 63.875 63.875 64.110 -0.235 19511 146 1 1 . 1 1 33 33 SER H H 33 9.439 9.439 8.654 0.785 19511 147 1 1 . 1 1 34 34 LEU N N 34 121.725 121.725 123.866 -2.141 19511 148 1 1 . 1 1 34 34 LEU HA H 34 4.059 4.059 4.202 -0.143 19511 149 1 1 . 1 1 34 34 LEU CA C 34 56.683 56.683 58.558 -1.875 19511 150 1 1 . 1 1 34 34 LEU CB C 34 38.920 38.920 40.199 -1.279 19511 151 1 1 . 1 1 34 34 LEU H H 34 8.886 8.886 8.850 0.036 19511 152 1 1 . 1 1 35 35 THR N N 35 113.779 113.779 112.384 1.395 19511 153 1 1 . 1 1 35 35 THR HA H 35 4.047 4.047 4.115 -0.068 19511 154 1 1 . 1 1 35 35 THR CA C 35 63.322 63.322 65.512 -2.190 19511 155 1 1 . 1 1 35 35 THR CB C 35 65.973 65.973 68.398 -2.425 19511 156 1 1 . 1 1 35 35 THR H H 35 8.142 8.142 8.327 -0.185 19511 157 1 1 . 1 1 36 36 GLU N N 36 122.728 122.728 120.087 2.641 19511 158 1 1 . 1 1 36 36 GLU HA H 36 4.036 4.036 4.267 -0.231 19511 159 1 1 . 1 1 36 36 GLU CA C 36 56.454 56.454 58.557 -2.103 19511 160 1 1 . 1 1 36 36 GLU CB C 36 27.949 27.949 29.543 -1.594 19511 161 1 1 . 1 1 36 36 GLU H H 36 7.658 7.658 7.441 0.217 19511 162 1 1 . 1 1 37 37 ARG N N 37 118.862 118.862 120.471 -1.609 19511 163 1 1 . 1 1 37 37 ARG HA H 37 3.842 3.842 4.191 -0.349 19511 164 1 1 . 1 1 37 37 ARG CA C 37 57.537 57.537 58.082 -0.545 19511 165 1 1 . 1 1 37 37 ARG CB C 37 28.496 28.496 29.823 -1.327 19511 166 1 1 . 1 1 37 37 ARG H H 37 8.762 8.762 8.770 -0.008 19511 167 1 1 . 1 1 38 38 SER N N 38 113.126 113.126 113.822 -0.696 19511 168 1 1 . 1 1 38 38 SER HA H 38 4.039 4.039 4.339 -0.300 19511 169 1 1 . 1 1 38 38 SER CA C 38 60.349 60.349 60.444 -0.095 19511 170 1 1 . 1 1 38 38 SER CB C 38 65.383 65.383 62.766 2.617 19511 171 1 1 . 1 1 38 38 SER H H 38 7.989 7.989 7.936 0.053 19511 172 1 1 . 1 1 39 39 GLN N N 39 121.461 121.461 122.749 -1.288 19511 173 1 1 . 1 1 39 39 GLN HA H 39 4.176 4.176 4.061 0.115 19511 174 1 1 . 1 1 39 39 GLN CA C 39 56.766 56.766 58.667 -1.901 19511 175 1 1 . 1 1 39 39 GLN CB C 39 25.985 25.985 28.767 -2.782 19511 176 1 1 . 1 1 39 39 GLN H H 39 8.017 8.017 7.650 0.367 19511 177 1 1 . 1 1 40 40 ILE N N 40 121.303 121.303 120.272 1.031 19511 178 1 1 . 1 1 40 40 ILE HA H 40 3.943 3.943 3.638 0.305 19511 179 1 1 . 1 1 40 40 ILE CA C 40 62.170 62.170 64.688 -2.518 19511 180 1 1 . 1 1 40 40 ILE CB C 40 35.984 35.984 37.692 -1.708 19511 181 1 1 . 1 1 40 40 ILE H H 40 8.290 8.290 7.825 0.465 19511 182 1 1 . 1 1 41 41 ALA N N 41 121.610 121.610 121.831 -0.221 19511 183 1 1 . 1 1 41 41 ALA HA H 41 3.757 3.757 3.826 -0.069 19511 184 1 1 . 1 1 41 41 ALA CA C 41 53.812 53.812 55.094 -1.282 19511 185 1 1 . 1 1 41 41 ALA CB C 41 15.288 15.288 17.935 -2.647 19511 186 1 1 . 1 1 41 41 ALA H H 41 8.201 8.201 7.784 0.417 19511 187 1 1 . 1 1 42 42 HIS N N 42 114.498 114.498 114.299 0.199 19511 188 1 1 . 1 1 42 42 HIS HA H 42 3.751 3.751 4.493 -0.742 19511 189 1 1 . 1 1 42 42 HIS CA C 42 53.713 53.713 55.246 -1.534 19511 190 1 1 . 1 1 42 42 HIS CB C 42 25.282 25.282 30.032 -4.750 19511 191 1 1 . 1 1 42 42 HIS H H 42 8.136 8.136 7.737 0.398 19511 192 1 1 . 1 1 43 43 ALA N N 43 121.763 121.763 122.069 -0.306 19511 193 1 1 . 1 1 43 43 ALA HA H 43 4.118 4.118 4.275 -0.157 19511 194 1 1 . 1 1 43 43 ALA CA C 43 52.521 52.521 53.765 -1.244 19511 195 1 1 . 1 1 43 43 ALA CB C 43 16.046 16.046 19.937 -3.891 19511 196 1 1 . 1 1 43 43 ALA H H 43 8.181 8.181 7.803 0.378 19511 197 1 1 . 1 1 44 44 LEU N N 44 114.063 114.063 118.073 -4.010 19511 198 1 1 . 1 1 44 44 LEU HA H 44 4.416 4.416 4.331 0.085 19511 199 1 1 . 1 1 44 44 LEU CA C 44 51.814 51.814 55.818 -4.003 19511 200 1 1 . 1 1 44 44 LEU CB C 44 40.181 40.181 43.344 -3.163 19511 201 1 1 . 1 1 44 44 LEU H H 44 8.016 8.016 7.379 0.637 19511 202 1 1 . 1 1 45 45 LYS N N 45 116.933 116.933 115.358 1.575 19511 203 1 1 . 1 1 45 45 LYS HA H 45 4.026 4.026 4.458 -0.432 19511 204 1 1 . 1 1 45 45 LYS CA C 45 54.887 54.887 56.282 -1.395 19511 205 1 1 . 1 1 45 45 LYS CB C 45 26.031 26.031 32.790 -6.759 19511 206 1 1 . 1 1 45 45 LYS H H 45 7.867 7.867 8.043 -0.176 19511 207 1 1 . 1 1 46 46 LEU N N 46 119.776 119.776 120.262 -0.486 19511 208 1 1 . 1 1 46 46 LEU HA H 46 4.937 4.937 4.429 0.508 19511 209 1 1 . 1 1 46 46 LEU CA C 46 49.983 49.983 54.285 -4.302 19511 210 1 1 . 1 1 46 46 LEU CB C 46 45.389 45.389 42.954 2.435 19511 211 1 1 . 1 1 46 46 LEU H H 46 8.517 8.517 7.388 1.129 19511 212 1 1 . 1 1 47 47 SER N N 47 114.945 114.945 115.270 -0.325 19511 213 1 1 . 1 1 47 47 SER HA H 47 4.856 4.856 4.686 0.170 19511 214 1 1 . 1 1 47 47 SER CA C 47 54.112 54.112 57.312 -3.200 19511 215 1 1 . 1 1 47 47 SER CB C 47 62.635 62.635 64.032 -1.397 19511 216 1 1 . 1 1 47 47 SER H H 47 9.225 9.225 8.684 0.541 19511 217 1 1 . 1 1 48 48 GLU N N 48 122.216 122.216 125.987 -3.771 19511 218 1 1 . 1 1 48 48 GLU HA H 48 3.778 3.778 3.984 -0.206 19511 219 1 1 . 1 1 48 48 GLU CA C 48 58.893 58.893 59.430 -0.537 19511 220 1 1 . 1 1 48 48 GLU CB C 48 27.002 27.002 29.256 -2.255 19511 221 1 1 . 1 1 48 48 GLU H H 48 9.278 9.278 9.143 0.135 19511 222 1 1 . 1 1 49 49 VAL N N 49 118.235 118.235 120.031 -1.796 19511 223 1 1 . 1 1 49 49 VAL HA H 49 3.854 3.854 3.706 0.148 19511 224 1 1 . 1 1 49 49 VAL CA C 49 63.808 63.808 65.637 -1.829 19511 225 1 1 . 1 1 49 49 VAL CB C 49 29.556 29.556 31.430 -1.874 19511 226 1 1 . 1 1 49 49 VAL H H 49 7.993 7.993 7.954 0.039 19511 227 1 1 . 1 1 50 50 GLN N N 50 119.879 119.879 118.086 1.793 19511 228 1 1 . 1 1 50 50 GLN HA H 50 4.296 4.296 4.035 0.261 19511 229 1 1 . 1 1 50 50 GLN CA C 50 57.495 57.495 58.337 -0.841 19511 230 1 1 . 1 1 50 50 GLN CB C 50 27.381 27.381 28.144 -0.763 19511 231 1 1 . 1 1 50 50 GLN H H 50 7.705 7.705 7.694 0.011 19511 232 1 1 . 1 1 51 51 VAL N N 51 117.905 117.905 119.649 -1.744 19511 233 1 1 . 1 1 51 51 VAL HA H 51 3.818 3.818 3.617 0.201 19511 234 1 1 . 1 1 51 51 VAL CA C 51 64.839 64.839 66.204 -1.365 19511 235 1 1 . 1 1 51 51 VAL CB C 51 29.968 29.968 30.753 -0.785 19511 236 1 1 . 1 1 51 51 VAL H H 51 7.629 7.629 7.830 -0.201 19511 237 1 1 . 1 1 52 52 LYS N N 52 120.669 120.669 119.747 0.922 19511 238 1 1 . 1 1 52 52 LYS HA H 52 4.168 4.168 4.234 -0.066 19511 239 1 1 . 1 1 52 52 LYS CA C 52 57.489 57.489 59.701 -2.212 19511 240 1 1 . 1 1 52 52 LYS CB C 52 30.473 30.473 32.380 -1.907 19511 241 1 1 . 1 1 52 52 LYS H H 52 8.802 8.802 7.627 1.175 19511 242 1 1 . 1 1 53 53 ILE N N 53 120.041 120.041 116.512 3.529 19511 243 1 1 . 1 1 53 53 ILE HA H 53 3.710 3.710 4.118 -0.408 19511 244 1 1 . 1 1 53 53 ILE CA C 53 61.549 61.549 63.380 -1.831 19511 245 1 1 . 1 1 53 53 ILE CB C 53 35.022 35.022 38.419 -3.397 19511 246 1 1 . 1 1 53 53 ILE H H 53 8.711 8.711 7.537 1.174 19511 247 1 1 . 1 1 54 54 TRP N N 54 123.292 123.292 124.520 -1.228 19511 248 1 1 . 1 1 54 54 TRP HA H 54 4.731 4.731 4.232 0.499 19511 249 1 1 . 1 1 54 54 TRP CA C 54 60.105 60.105 62.593 -2.488 19511 250 1 1 . 1 1 54 54 TRP CB C 54 26.108 26.108 29.213 -3.105 19511 251 1 1 . 1 1 54 54 TRP H H 54 8.467 8.467 8.414 0.053 19511 252 1 1 . 1 1 55 55 PHE N N 55 118.279 118.279 116.554 1.725 19511 253 1 1 . 1 1 55 55 PHE HA H 55 3.801 3.801 4.242 -0.441 19511 254 1 1 . 1 1 55 55 PHE CA C 55 61.097 61.097 60.505 0.592 19511 255 1 1 . 1 1 55 55 PHE CB C 55 36.812 36.812 38.029 -1.216 19511 256 1 1 . 1 1 55 55 PHE H H 55 8.923 8.923 7.993 0.930 19511 257 1 1 . 1 1 56 56 GLN N N 56 117.830 117.830 118.664 -0.834 19511 258 1 1 . 1 1 56 56 GLN HA H 56 4.036 4.036 4.183 -0.147 19511 259 1 1 . 1 1 56 56 GLN CA C 56 57.329 57.329 58.410 -1.081 19511 260 1 1 . 1 1 56 56 GLN CB C 56 25.312 25.312 28.296 -2.984 19511 261 1 1 . 1 1 56 56 GLN H H 56 7.994 7.994 8.050 -0.056 19511 262 1 1 . 1 1 57 57 ASN N N 57 119.840 119.840 116.244 3.596 19511 263 1 1 . 1 1 57 57 ASN HA H 57 4.632 4.632 4.731 -0.099 19511 264 1 1 . 1 1 57 57 ASN CA C 57 55.637 55.637 54.454 1.183 19511 265 1 1 . 1 1 57 57 ASN CB C 57 35.824 35.824 39.027 -3.203 19511 266 1 1 . 1 1 57 57 ASN H H 57 8.715 8.715 7.738 0.977 19511 267 1 1 . 1 1 58 58 ARG N N 58 125.366 125.366 120.023 5.343 19511 268 1 1 . 1 1 58 58 ARG HA H 58 3.656 3.656 4.064 -0.408 19511 269 1 1 . 1 1 58 58 ARG CA C 58 53.865 53.865 57.604 -3.739 19511 270 1 1 . 1 1 58 58 ARG CB C 58 25.436 25.436 29.522 -4.086 19511 271 1 1 . 1 1 58 58 ARG H H 58 8.806 8.806 7.621 1.185 19511 272 1 1 . 1 1 59 59 ARG N N 59 120.172 120.172 117.405 2.767 19511 273 1 1 . 1 1 59 59 ARG CB C 59 29.582 29.582 30.844 -1.262 19511 274 1 1 . 1 1 59 59 ARG H H 59 8.345 8.345 7.255 1.090 19511 275 1 1 . 1 1 60 60 ALA N N 60 122.418 122.418 123.665 -1.247 19511 276 1 1 . 1 1 60 60 ALA HA H 60 4.420 4.420 4.014 0.406 19511 277 1 1 . 1 1 60 60 ALA CA C 60 53.005 53.005 54.980 -1.975 19511 278 1 1 . 1 1 60 60 ALA CB C 60 15.567 15.567 18.091 -2.524 19511 279 1 1 . 1 1 60 60 ALA H H 60 7.587 7.587 7.864 -0.277 19511 280 1 1 . 1 1 61 61 LYS N N 61 119.912 119.912 118.804 1.108 19511 281 1 1 . 1 1 61 61 LYS HA H 61 4.003 4.003 3.713 0.290 19511 282 1 1 . 1 1 61 61 LYS CA C 61 57.164 57.164 59.413 -2.249 19511 283 1 1 . 1 1 61 61 LYS CB C 61 30.390 30.390 31.707 -1.317 19511 284 1 1 . 1 1 61 61 LYS H H 61 7.856 7.856 8.115 -0.259 19511 285 1 1 . 1 1 62 62 TRP N N 62 119.782 119.782 115.998 3.784 19511 286 1 1 . 1 1 62 62 TRP HA H 62 4.535 4.535 4.584 -0.049 19511 287 1 1 . 1 1 62 62 TRP CA C 62 57.359 57.359 58.528 -1.169 19511 288 1 1 . 1 1 62 62 TRP CB C 62 27.020 27.020 28.882 -1.862 19511 289 1 1 . 1 1 62 62 TRP H H 62 8.265 8.265 7.268 0.997 19511 290 1 1 . 1 1 63 63 LYS N N 63 117.139 117.139 121.135 -3.996 19511 291 1 1 . 1 1 63 63 LYS HA H 63 3.713 3.713 4.355 -0.642 19511 292 1 1 . 1 1 63 63 LYS CA C 63 56.518 56.518 58.135 -1.617 19511 293 1 1 . 1 1 63 63 LYS CB C 63 30.224 30.224 31.846 -1.622 19511 294 1 1 . 1 1 63 63 LYS H H 63 8.262 8.262 7.682 0.580 19511 295 1 1 . 1 1 64 64 ARG N N 64 118.868 118.868 118.696 0.172 19511 296 1 1 . 1 1 64 64 ARG HA H 64 4.192 4.192 4.008 0.184 19511 297 1 1 . 1 1 64 64 ARG CA C 64 56.249 56.249 59.191 -2.942 19511 298 1 1 . 1 1 64 64 ARG CB C 64 28.227 28.227 30.162 -1.935 19511 299 1 1 . 1 1 64 64 ARG H H 64 7.737 7.737 8.030 -0.293 19511 300 1 1 . 1 1 65 65 ILE N N 65 119.744 119.744 118.721 1.023 19511 301 1 1 . 1 1 65 65 ILE HA H 65 4.012 4.012 4.053 -0.041 19511 302 1 1 . 1 1 65 65 ILE CA C 65 60.187 60.187 63.606 -3.419 19511 303 1 1 . 1 1 65 65 ILE CB C 65 35.588 35.588 38.491 -2.903 19511 304 1 1 . 1 1 65 65 ILE H H 65 8.010 8.010 7.237 0.773 19511 305 1 1 . 1 1 66 66 LYS N N 66 122.316 122.316 121.888 0.428 19511 306 1 1 . 1 1 66 66 LYS HA H 66 4.106 4.106 4.257 -0.151 19511 307 1 1 . 1 1 66 66 LYS CA C 66 54.657 54.657 55.174 -0.517 19511 308 1 1 . 1 1 66 66 LYS CB C 66 29.634 29.634 30.974 -1.339 19511 309 1 1 . 1 1 66 66 LYS H H 66 8.055 8.055 8.364 -0.309 19511 310 1 1 . 1 1 67 67 ALA N N 67 122.520 122.520 123.857 -1.337 19511 311 1 1 . 1 1 67 67 ALA HA H 67 4.291 4.291 4.382 -0.091 19511 312 1 1 . 1 1 67 67 ALA CA C 67 50.463 50.463 52.694 -2.231 19511 313 1 1 . 1 1 67 67 ALA CB C 67 16.535 16.535 18.564 -2.030 19511 314 1 1 . 1 1 67 67 ALA H H 67 7.846 7.846 7.789 0.057 19511 315 1 1 . 1 1 68 68 GLY N N 68 106.371 106.371 111.539 -5.168 19511 316 1 1 . 1 1 68 68 GLY CA C 68 42.991 42.991 44.976 -1.985 19511 317 1 1 . 1 1 68 68 GLY H H 68 8.053 8.053 8.415 -0.362 19511 318 1 1 . 1 1 69 69 ASN N N 69 118.766 118.766 116.604 2.162 19511 319 1 1 . 1 1 69 69 ASN HA H 69 4.832 4.832 5.436 -0.604 19511 320 1 1 . 1 1 69 69 ASN CA C 69 50.749 50.749 52.394 -1.645 19511 321 1 1 . 1 1 69 69 ASN CB C 69 36.737 36.737 41.616 -4.879 19511 322 1 1 . 1 1 69 69 ASN H H 69 8.166 8.166 8.579 -0.413 19511 323 1 1 . 1 1 70 70 VAL N N 70 119.471 119.471 120.133 -0.662 19511 324 1 1 . 1 1 70 70 VAL HA H 70 4.265 4.265 4.498 -0.233 19511 325 1 1 . 1 1 70 70 VAL CA C 70 59.765 59.765 61.621 -1.856 19511 326 1 1 . 1 1 70 70 VAL CB C 70 30.482 30.482 34.242 -3.760 19511 327 1 1 . 1 1 70 70 VAL H H 70 8.087 8.087 8.552 -0.465 19511 328 1 2 . 1 1 3 3 PRO HA H 3 4.499 4.499 4.350 0.149 19511 329 1 2 . 1 1 3 3 PRO CA C 3 61.077 61.077 63.048 -1.971 19511 330 1 2 . 1 1 3 3 PRO CB C 3 29.635 29.635 32.387 -2.752 19511 331 1 2 . 1 1 4 4 GLY N N 4 109.482 109.482 107.308 2.174 19511 332 1 2 . 1 1 4 4 GLY CA C 4 42.963 42.963 44.303 -1.340 19511 333 1 2 . 1 1 4 4 GLY H H 4 8.521 8.521 7.832 0.689 19511 334 1 2 . 1 1 5 5 GLY N N 5 108.605 108.605 108.564 0.041 19511 335 1 2 . 1 1 5 5 GLY CA C 5 42.869 42.869 45.047 -2.178 19511 336 1 2 . 1 1 5 5 GLY H H 5 8.245 8.245 8.354 -0.109 19511 337 1 2 . 1 1 6 6 LYS N N 6 120.900 120.900 124.750 -3.850 19511 338 1 2 . 1 1 6 6 LYS HA H 6 4.454 4.454 4.562 -0.108 19511 339 1 2 . 1 1 6 6 LYS CA C 6 53.594 53.594 55.714 -2.119 19511 340 1 2 . 1 1 6 6 LYS CB C 6 31.034 31.034 33.194 -2.160 19511 341 1 2 . 1 1 6 6 LYS H H 6 8.201 8.201 8.137 0.064 19511 342 1 2 . 1 1 7 7 SER N N 7 118.055 118.055 119.589 -1.534 19511 343 1 2 . 1 1 7 7 SER HA H 7 4.533 4.533 4.418 0.116 19511 344 1 2 . 1 1 7 7 SER CA C 7 55.637 55.637 57.809 -2.172 19511 345 1 2 . 1 1 7 7 SER CB C 7 61.343 61.343 64.022 -2.679 19511 346 1 2 . 1 1 7 7 SER H H 7 8.425 8.425 8.624 -0.199 19511 347 1 2 . 1 1 8 8 ARG HA H 8 4.547 4.547 4.501 0.046 19511 348 1 2 . 1 1 8 8 ARG CA C 8 53.146 53.146 55.873 -2.727 19511 349 1 2 . 1 1 8 8 ARG CB C 8 29.317 29.317 30.642 -1.325 19511 350 1 2 . 1 1 9 9 ARG N N 9 124.954 124.954 125.220 -0.266 19511 351 1 2 . 1 1 9 9 ARG HA H 9 4.321 4.321 4.528 -0.207 19511 352 1 2 . 1 1 9 9 ARG CA C 9 54.049 54.049 55.226 -1.177 19511 353 1 2 . 1 1 9 9 ARG CB C 9 28.705 28.705 31.875 -3.170 19511 354 1 2 . 1 1 9 9 ARG H H 9 9.037 9.037 8.618 0.419 19511 355 1 2 . 1 1 10 10 ARG N N 10 122.493 122.493 122.704 -0.211 19511 356 1 2 . 1 1 10 10 ARG HA H 10 4.322 4.322 4.481 -0.159 19511 357 1 2 . 1 1 10 10 ARG CA C 10 53.971 53.971 55.802 -1.831 19511 358 1 2 . 1 1 10 10 ARG CB C 10 28.386 28.386 30.184 -1.798 19511 359 1 2 . 1 1 10 10 ARG H H 10 8.350 8.350 8.737 -0.387 19511 360 1 2 . 1 1 11 11 ARG N N 11 123.361 123.361 127.437 -4.076 19511 361 1 2 . 1 1 11 11 ARG HA H 11 4.312 4.312 4.278 0.034 19511 362 1 2 . 1 1 11 11 ARG CA C 11 53.146 53.146 55.571 -2.425 19511 363 1 2 . 1 1 11 11 ARG CB C 11 30.162 30.162 28.852 1.310 19511 364 1 2 . 1 1 11 11 ARG H H 11 8.508 8.508 8.846 -0.338 19511 365 1 2 . 1 1 12 12 THR N N 12 126.287 126.287 114.855 11.432 19511 366 1 2 . 1 1 12 12 THR HA H 12 3.790 3.790 4.567 -0.777 19511 367 1 2 . 1 1 12 12 THR CA C 12 62.948 62.948 60.732 2.216 19511 368 1 2 . 1 1 12 12 THR CB C 12 66.854 66.854 71.643 -4.789 19511 369 1 2 . 1 1 12 12 THR H H 12 8.068 8.068 7.578 0.490 19511 370 1 2 . 1 1 13 13 ALA N N 13 129.745 129.745 127.709 2.036 19511 371 1 2 . 1 1 13 13 ALA HA H 13 4.664 4.664 4.408 0.256 19511 372 1 2 . 1 1 13 13 ALA CA C 13 47.602 47.602 52.300 -4.698 19511 373 1 2 . 1 1 13 13 ALA CB C 13 16.412 16.412 20.143 -3.731 19511 374 1 2 . 1 1 13 13 ALA H H 13 8.317 8.317 7.683 0.634 19511 375 1 2 . 1 1 14 14 PHE N N 14 124.589 124.589 121.606 2.983 19511 376 1 2 . 1 1 14 14 PHE HA H 14 4.708 4.708 4.940 -0.232 19511 377 1 2 . 1 1 14 14 PHE CA C 14 56.288 56.288 56.336 -0.048 19511 378 1 2 . 1 1 14 14 PHE CB C 14 38.229 38.229 40.368 -2.139 19511 379 1 2 . 1 1 14 14 PHE H H 14 8.594 8.594 8.130 0.464 19511 380 1 2 . 1 1 15 15 THR N N 15 113.746 113.746 112.154 1.592 19511 381 1 2 . 1 1 15 15 THR HA H 15 4.575 4.575 4.556 0.019 19511 382 1 2 . 1 1 15 15 THR CA C 15 58.027 58.027 60.972 -2.945 19511 383 1 2 . 1 1 15 15 THR CB C 15 68.256 68.256 71.426 -3.170 19511 384 1 2 . 1 1 15 15 THR H H 15 9.053 9.053 8.112 0.941 19511 385 1 2 . 1 1 16 16 SER N N 16 116.624 116.624 116.590 0.034 19511 386 1 2 . 1 1 16 16 SER HA H 16 4.713 4.713 4.203 0.510 19511 387 1 2 . 1 1 16 16 SER CA C 16 59.750 59.750 61.209 -1.459 19511 388 1 2 . 1 1 16 16 SER CB C 16 59.639 59.639 63.072 -3.433 19511 389 1 2 . 1 1 16 16 SER H H 16 9.092 9.092 8.814 0.278 19511 390 1 2 . 1 1 17 17 GLU N N 17 120.287 120.287 119.849 0.438 19511 391 1 2 . 1 1 17 17 GLU HA H 17 4.081 4.081 4.118 -0.037 19511 392 1 2 . 1 1 17 17 GLU CA C 17 57.565 57.565 58.939 -1.374 19511 393 1 2 . 1 1 17 17 GLU CB C 17 26.998 26.998 29.405 -2.407 19511 394 1 2 . 1 1 17 17 GLU H H 17 8.560 8.560 8.645 -0.085 19511 395 1 2 . 1 1 18 18 GLN N N 18 118.169 118.169 114.884 3.285 19511 396 1 2 . 1 1 18 18 GLN HA H 18 3.898 3.898 4.426 -0.528 19511 397 1 2 . 1 1 18 18 GLN CA C 18 56.609 56.609 55.353 1.256 19511 398 1 2 . 1 1 18 18 GLN CB C 18 32.647 32.647 30.208 2.439 19511 399 1 2 . 1 1 18 18 GLN H H 18 7.769 7.769 7.747 0.022 19511 400 1 2 . 1 1 19 19 LEU N N 19 116.929 116.929 119.098 -2.169 19511 401 1 2 . 1 1 19 19 LEU HA H 19 3.655 3.655 4.231 -0.576 19511 402 1 2 . 1 1 19 19 LEU CA C 19 55.390 55.390 54.910 0.480 19511 403 1 2 . 1 1 19 19 LEU CB C 19 39.414 39.414 42.772 -3.358 19511 404 1 2 . 1 1 19 19 LEU H H 19 8.227 8.227 7.539 0.688 19511 405 1 2 . 1 1 20 20 LEU N N 20 118.864 118.864 121.539 -2.675 19511 406 1 2 . 1 1 20 20 LEU HA H 20 4.034 4.034 3.909 0.125 19511 407 1 2 . 1 1 20 20 LEU CA C 20 55.765 55.765 59.108 -3.343 19511 408 1 2 . 1 1 20 20 LEU CB C 20 39.758 39.758 41.957 -2.199 19511 409 1 2 . 1 1 20 20 LEU H H 20 8.037 8.037 7.559 0.478 19511 410 1 2 . 1 1 21 21 GLU N N 21 118.147 118.147 117.137 1.010 19511 411 1 2 . 1 1 21 21 GLU HA H 21 4.159 4.159 3.987 0.172 19511 412 1 2 . 1 1 21 21 GLU CA C 21 56.062 56.062 59.246 -3.184 19511 413 1 2 . 1 1 21 21 GLU CB C 21 27.576 27.576 28.771 -1.195 19511 414 1 2 . 1 1 21 21 GLU H H 21 7.491 7.491 8.529 -1.038 19511 415 1 2 . 1 1 22 22 LEU N N 22 122.316 122.316 119.471 2.845 19511 416 1 2 . 1 1 22 22 LEU HA H 22 3.534 3.534 3.918 -0.384 19511 417 1 2 . 1 1 22 22 LEU CA C 22 56.091 56.091 57.658 -1.567 19511 418 1 2 . 1 1 22 22 LEU CB C 22 35.557 35.557 41.536 -5.979 19511 419 1 2 . 1 1 22 22 LEU H H 22 8.254 8.254 8.066 0.188 19511 420 1 2 . 1 1 23 23 GLU N N 23 117.645 117.645 117.122 0.523 19511 421 1 2 . 1 1 23 23 GLU HA H 23 4.319 4.319 4.379 -0.060 19511 422 1 2 . 1 1 23 23 GLU CA C 23 56.627 56.627 58.817 -2.190 19511 423 1 2 . 1 1 23 23 GLU CB C 23 26.800 26.800 29.753 -2.953 19511 424 1 2 . 1 1 23 23 GLU H H 23 8.084 8.084 7.826 0.258 19511 425 1 2 . 1 1 24 24 LYS N N 24 120.989 120.989 122.066 -1.077 19511 426 1 2 . 1 1 24 24 LYS HA H 24 4.088 4.088 4.094 -0.006 19511 427 1 2 . 1 1 24 24 LYS CA C 24 57.392 57.392 59.182 -1.790 19511 428 1 2 . 1 1 24 24 LYS H H 24 7.884 7.884 7.696 0.188 19511 429 1 2 . 1 1 25 25 GLU N N 25 119.686 119.686 118.898 0.788 19511 430 1 2 . 1 1 25 25 GLU HA H 25 4.325 4.325 4.126 0.199 19511 431 1 2 . 1 1 25 25 GLU CA C 25 56.529 56.529 59.343 -2.814 19511 432 1 2 . 1 1 25 25 GLU CB C 25 26.344 26.344 29.608 -3.264 19511 433 1 2 . 1 1 25 25 GLU H H 25 8.179 8.179 8.321 -0.142 19511 434 1 2 . 1 1 26 26 PHE N N 26 121.229 121.229 116.470 4.759 19511 435 1 2 . 1 1 26 26 PHE HA H 26 4.769 4.769 4.624 0.145 19511 436 1 2 . 1 1 26 26 PHE CA C 26 57.746 57.746 59.010 -1.264 19511 437 1 2 . 1 1 26 26 PHE CB C 26 41.554 41.554 39.733 1.821 19511 438 1 2 . 1 1 26 26 PHE H H 26 8.896 8.896 7.695 1.201 19511 439 1 2 . 1 1 27 27 HIS N N 27 115.789 115.789 117.929 -2.140 19511 440 1 2 . 1 1 27 27 HIS HA H 27 4.069 4.069 4.752 -0.683 19511 441 1 2 . 1 1 27 27 HIS CA C 27 56.598 56.598 58.474 -1.876 19511 442 1 2 . 1 1 27 27 HIS CB C 27 27.235 27.235 31.711 -4.476 19511 443 1 2 . 1 1 27 27 HIS H H 27 8.110 8.110 7.773 0.337 19511 444 1 2 . 1 1 28 28 CYS N N 28 115.311 115.311 117.690 -2.379 19511 445 1 2 . 1 1 28 28 CYS HA H 28 4.553 4.553 4.342 0.211 19511 446 1 2 . 1 1 28 28 CYS CA C 28 54.270 54.270 60.944 -6.674 19511 447 1 2 . 1 1 28 28 CYS CB C 28 39.551 39.551 28.696 10.855 19511 448 1 2 . 1 1 28 28 CYS H H 28 7.470 7.470 8.180 -0.710 19511 449 1 2 . 1 1 29 29 LYS N N 29 122.013 122.013 119.158 2.855 19511 450 1 2 . 1 1 29 29 LYS HA H 29 4.412 4.412 4.360 0.052 19511 451 1 2 . 1 1 29 29 LYS CA C 29 53.840 53.840 55.334 -1.494 19511 452 1 2 . 1 1 29 29 LYS CB C 29 32.448 32.448 33.229 -0.781 19511 453 1 2 . 1 1 29 29 LYS H H 29 8.648 8.648 7.367 1.281 19511 454 1 2 . 1 1 30 30 LYS N N 30 117.519 117.519 122.741 -5.222 19511 455 1 2 . 1 1 30 30 LYS HA H 30 3.837 3.837 4.169 -0.332 19511 456 1 2 . 1 1 30 30 LYS CA C 30 53.748 53.748 56.306 -2.558 19511 457 1 2 . 1 1 30 30 LYS CB C 30 30.195 30.195 32.350 -2.155 19511 458 1 2 . 1 1 30 30 LYS H H 30 7.887 7.887 8.566 -0.679 19511 459 1 2 . 1 1 31 31 TYR N N 31 112.770 112.770 113.420 -0.650 19511 460 1 2 . 1 1 31 31 TYR HA H 31 4.591 4.591 4.774 -0.183 19511 461 1 2 . 1 1 31 31 TYR CA C 31 53.415 53.415 55.037 -1.622 19511 462 1 2 . 1 1 31 31 TYR CB C 31 39.905 39.905 39.762 0.143 19511 463 1 2 . 1 1 31 31 TYR H H 31 7.368 7.368 6.932 0.436 19511 464 1 2 . 1 1 32 32 LEU N N 32 120.286 120.286 124.060 -3.774 19511 465 1 2 . 1 1 32 32 LEU HA H 32 4.766 4.766 4.592 0.174 19511 466 1 2 . 1 1 32 32 LEU CA C 32 50.290 50.290 54.110 -3.820 19511 467 1 2 . 1 1 32 32 LEU CB C 32 42.846 42.846 43.078 -0.232 19511 468 1 2 . 1 1 32 32 LEU H H 32 8.442 8.442 8.565 -0.123 19511 469 1 2 . 1 1 33 33 SER N N 33 120.490 120.490 120.921 -0.431 19511 470 1 2 . 1 1 33 33 SER HA H 33 4.045 4.045 4.616 -0.571 19511 471 1 2 . 1 1 33 33 SER CA C 33 54.957 54.957 57.807 -2.850 19511 472 1 2 . 1 1 33 33 SER CB C 33 63.875 63.875 64.374 -0.499 19511 473 1 2 . 1 1 33 33 SER H H 33 9.439 9.439 7.977 1.462 19511 474 1 2 . 1 1 34 34 LEU N N 34 121.725 121.725 123.622 -1.897 19511 475 1 2 . 1 1 34 34 LEU HA H 34 4.059 4.059 4.168 -0.109 19511 476 1 2 . 1 1 34 34 LEU CA C 34 56.683 56.683 58.600 -1.917 19511 477 1 2 . 1 1 34 34 LEU CB C 34 38.920 38.920 40.609 -1.689 19511 478 1 2 . 1 1 34 34 LEU H H 34 8.886 8.886 8.748 0.138 19511 479 1 2 . 1 1 35 35 THR N N 35 113.779 113.779 114.486 -0.707 19511 480 1 2 . 1 1 35 35 THR HA H 35 4.047 4.047 4.146 -0.099 19511 481 1 2 . 1 1 35 35 THR CA C 35 63.322 63.322 66.334 -3.012 19511 482 1 2 . 1 1 35 35 THR CB C 35 65.973 65.973 68.743 -2.770 19511 483 1 2 . 1 1 35 35 THR H H 35 8.142 8.142 8.245 -0.103 19511 484 1 2 . 1 1 36 36 GLU N N 36 122.728 122.728 120.737 1.991 19511 485 1 2 . 1 1 36 36 GLU HA H 36 4.036 4.036 4.092 -0.056 19511 486 1 2 . 1 1 36 36 GLU CA C 36 56.454 56.454 60.023 -3.569 19511 487 1 2 . 1 1 36 36 GLU CB C 36 27.949 27.949 29.212 -1.264 19511 488 1 2 . 1 1 36 36 GLU H H 36 7.658 7.658 7.768 -0.110 19511 489 1 2 . 1 1 37 37 ARG N N 37 118.862 118.862 119.307 -0.445 19511 490 1 2 . 1 1 37 37 ARG HA H 37 3.842 3.842 4.238 -0.396 19511 491 1 2 . 1 1 37 37 ARG CA C 37 57.537 57.537 58.736 -1.199 19511 492 1 2 . 1 1 37 37 ARG CB C 37 28.496 28.496 30.435 -1.939 19511 493 1 2 . 1 1 37 37 ARG H H 37 8.762 8.762 8.606 0.156 19511 494 1 2 . 1 1 38 38 SER N N 38 113.126 113.126 113.834 -0.708 19511 495 1 2 . 1 1 38 38 SER HA H 38 4.039 4.039 4.432 -0.393 19511 496 1 2 . 1 1 38 38 SER CA C 38 60.349 60.349 61.193 -0.844 19511 497 1 2 . 1 1 38 38 SER CB C 38 65.383 65.383 62.958 2.425 19511 498 1 2 . 1 1 38 38 SER H H 38 7.989 7.989 8.068 -0.079 19511 499 1 2 . 1 1 39 39 GLN N N 39 121.461 121.461 122.459 -0.998 19511 500 1 2 . 1 1 39 39 GLN HA H 39 4.176 4.176 3.769 0.407 19511 501 1 2 . 1 1 39 39 GLN CA C 39 56.766 56.766 59.029 -2.264 19511 502 1 2 . 1 1 39 39 GLN CB C 39 25.985 25.985 28.433 -2.448 19511 503 1 2 . 1 1 39 39 GLN H H 39 8.017 8.017 7.332 0.685 19511 504 1 2 . 1 1 40 40 ILE N N 40 121.303 121.303 119.453 1.850 19511 505 1 2 . 1 1 40 40 ILE HA H 40 3.943 3.943 3.451 0.492 19511 506 1 2 . 1 1 40 40 ILE CA C 40 62.170 62.170 65.139 -2.969 19511 507 1 2 . 1 1 40 40 ILE CB C 40 35.984 35.984 37.351 -1.367 19511 508 1 2 . 1 1 40 40 ILE H H 40 8.290 8.290 7.442 0.848 19511 509 1 2 . 1 1 41 41 ALA N N 41 121.610 121.610 119.870 1.740 19511 510 1 2 . 1 1 41 41 ALA HA H 41 3.757 3.757 4.011 -0.254 19511 511 1 2 . 1 1 41 41 ALA CA C 41 53.812 53.812 54.605 -0.793 19511 512 1 2 . 1 1 41 41 ALA CB C 41 15.288 15.288 18.433 -3.145 19511 513 1 2 . 1 1 41 41 ALA H H 41 8.201 8.201 8.190 0.011 19511 514 1 2 . 1 1 42 42 HIS N N 42 114.498 114.498 109.923 4.575 19511 515 1 2 . 1 1 42 42 HIS HA H 42 3.751 3.751 4.746 -0.995 19511 516 1 2 . 1 1 42 42 HIS CA C 42 53.713 53.713 55.914 -2.201 19511 517 1 2 . 1 1 42 42 HIS CB C 42 25.282 25.282 31.430 -6.148 19511 518 1 2 . 1 1 42 42 HIS H H 42 8.136 8.136 7.698 0.438 19511 519 1 2 . 1 1 43 43 ALA N N 43 121.763 121.763 123.220 -1.457 19511 520 1 2 . 1 1 43 43 ALA HA H 43 4.118 4.118 4.213 -0.095 19511 521 1 2 . 1 1 43 43 ALA CA C 43 52.521 52.521 53.654 -1.133 19511 522 1 2 . 1 1 43 43 ALA CB C 43 16.046 16.046 19.735 -3.689 19511 523 1 2 . 1 1 43 43 ALA H H 43 8.181 8.181 7.977 0.204 19511 524 1 2 . 1 1 44 44 LEU N N 44 114.063 114.063 116.904 -2.841 19511 525 1 2 . 1 1 44 44 LEU HA H 44 4.416 4.416 4.346 0.070 19511 526 1 2 . 1 1 44 44 LEU CA C 44 51.814 51.814 55.279 -3.465 19511 527 1 2 . 1 1 44 44 LEU CB C 44 40.181 40.181 43.229 -3.048 19511 528 1 2 . 1 1 44 44 LEU H H 44 8.016 8.016 7.418 0.598 19511 529 1 2 . 1 1 45 45 LYS N N 45 116.933 116.933 115.306 1.627 19511 530 1 2 . 1 1 45 45 LYS HA H 45 4.026 4.026 4.369 -0.343 19511 531 1 2 . 1 1 45 45 LYS CA C 45 54.887 54.887 56.181 -1.294 19511 532 1 2 . 1 1 45 45 LYS CB C 45 26.031 26.031 33.681 -7.650 19511 533 1 2 . 1 1 45 45 LYS H H 45 7.867 7.867 8.047 -0.180 19511 534 1 2 . 1 1 46 46 LEU N N 46 119.776 119.776 120.902 -1.126 19511 535 1 2 . 1 1 46 46 LEU HA H 46 4.937 4.937 4.456 0.481 19511 536 1 2 . 1 1 46 46 LEU CA C 46 49.983 49.983 54.833 -4.850 19511 537 1 2 . 1 1 46 46 LEU CB C 46 45.389 45.389 42.688 2.701 19511 538 1 2 . 1 1 46 46 LEU H H 46 8.517 8.517 7.679 0.838 19511 539 1 2 . 1 1 47 47 SER N N 47 114.945 114.945 111.593 3.352 19511 540 1 2 . 1 1 47 47 SER HA H 47 4.856 4.856 4.696 0.160 19511 541 1 2 . 1 1 47 47 SER CA C 47 54.112 54.112 56.344 -2.232 19511 542 1 2 . 1 1 47 47 SER CB C 47 62.635 62.635 64.913 -2.278 19511 543 1 2 . 1 1 47 47 SER H H 47 9.225 9.225 8.162 1.063 19511 544 1 2 . 1 1 48 48 GLU N N 48 122.216 122.216 125.684 -3.468 19511 545 1 2 . 1 1 48 48 GLU HA H 48 3.778 3.778 4.088 -0.310 19511 546 1 2 . 1 1 48 48 GLU CA C 48 58.893 58.893 59.818 -0.924 19511 547 1 2 . 1 1 48 48 GLU CB C 48 27.002 27.002 29.694 -2.692 19511 548 1 2 . 1 1 48 48 GLU H H 48 9.278 9.278 9.008 0.270 19511 549 1 2 . 1 1 49 49 VAL N N 49 118.235 118.235 120.068 -1.833 19511 550 1 2 . 1 1 49 49 VAL HA H 49 3.854 3.854 3.840 0.014 19511 551 1 2 . 1 1 49 49 VAL CA C 49 63.808 63.808 66.338 -2.530 19511 552 1 2 . 1 1 49 49 VAL CB C 49 29.556 29.556 31.175 -1.619 19511 553 1 2 . 1 1 49 49 VAL H H 49 7.993 7.993 8.170 -0.177 19511 554 1 2 . 1 1 50 50 GLN N N 50 119.879 119.879 118.899 0.980 19511 555 1 2 . 1 1 50 50 GLN HA H 50 4.296 4.296 4.119 0.177 19511 556 1 2 . 1 1 50 50 GLN CA C 50 57.495 57.495 58.775 -1.280 19511 557 1 2 . 1 1 50 50 GLN CB C 50 27.381 27.381 28.261 -0.880 19511 558 1 2 . 1 1 50 50 GLN H H 50 7.705 7.705 7.808 -0.103 19511 559 1 2 . 1 1 51 51 VAL N N 51 117.905 117.905 119.618 -1.713 19511 560 1 2 . 1 1 51 51 VAL HA H 51 3.818 3.818 3.787 0.031 19511 561 1 2 . 1 1 51 51 VAL CA C 51 64.839 64.839 65.705 -0.866 19511 562 1 2 . 1 1 51 51 VAL CB C 51 29.968 29.968 31.211 -1.243 19511 563 1 2 . 1 1 51 51 VAL H H 51 7.629 7.629 8.109 -0.480 19511 564 1 2 . 1 1 52 52 LYS N N 52 120.669 120.669 121.551 -0.882 19511 565 1 2 . 1 1 52 52 LYS HA H 52 4.168 4.168 4.326 -0.158 19511 566 1 2 . 1 1 52 52 LYS CA C 52 57.489 57.489 60.038 -2.550 19511 567 1 2 . 1 1 52 52 LYS CB C 52 30.473 30.473 32.570 -2.097 19511 568 1 2 . 1 1 52 52 LYS H H 52 8.802 8.802 8.222 0.580 19511 569 1 2 . 1 1 53 53 ILE N N 53 120.041 120.041 117.175 2.866 19511 570 1 2 . 1 1 53 53 ILE HA H 53 3.710 3.710 4.014 -0.304 19511 571 1 2 . 1 1 53 53 ILE CA C 53 61.549 61.549 63.867 -2.318 19511 572 1 2 . 1 1 53 53 ILE CB C 53 35.022 35.022 38.051 -3.030 19511 573 1 2 . 1 1 53 53 ILE H H 53 8.711 8.711 7.724 0.987 19511 574 1 2 . 1 1 54 54 TRP N N 54 123.292 123.292 122.563 0.729 19511 575 1 2 . 1 1 54 54 TRP HA H 54 4.731 4.731 4.217 0.514 19511 576 1 2 . 1 1 54 54 TRP CA C 54 60.105 60.105 61.472 -1.367 19511 577 1 2 . 1 1 54 54 TRP CB C 54 26.108 26.108 29.374 -3.266 19511 578 1 2 . 1 1 54 54 TRP H H 54 8.467 8.467 8.258 0.209 19511 579 1 2 . 1 1 55 55 PHE N N 55 118.279 118.279 116.425 1.854 19511 580 1 2 . 1 1 55 55 PHE HA H 55 3.801 3.801 4.059 -0.258 19511 581 1 2 . 1 1 55 55 PHE CA C 55 61.097 61.097 61.689 -0.592 19511 582 1 2 . 1 1 55 55 PHE CB C 55 36.812 36.812 38.465 -1.653 19511 583 1 2 . 1 1 55 55 PHE H H 55 8.923 8.923 7.667 1.256 19511 584 1 2 . 1 1 56 56 GLN N N 56 117.830 117.830 117.216 0.614 19511 585 1 2 . 1 1 56 56 GLN HA H 56 4.036 4.036 4.073 -0.037 19511 586 1 2 . 1 1 56 56 GLN CA C 56 57.329 57.329 58.862 -1.533 19511 587 1 2 . 1 1 56 56 GLN CB C 56 25.312 25.312 28.492 -3.180 19511 588 1 2 . 1 1 56 56 GLN H H 56 7.994 7.994 7.970 0.024 19511 589 1 2 . 1 1 57 57 ASN N N 57 119.840 119.840 117.142 2.698 19511 590 1 2 . 1 1 57 57 ASN HA H 57 4.632 4.632 4.453 0.179 19511 591 1 2 . 1 1 57 57 ASN CA C 57 55.637 55.637 55.365 0.272 19511 592 1 2 . 1 1 57 57 ASN CB C 57 35.824 35.824 38.423 -2.599 19511 593 1 2 . 1 1 57 57 ASN H H 57 8.715 8.715 7.601 1.114 19511 594 1 2 . 1 1 58 58 ARG N N 58 125.366 125.366 117.903 7.463 19511 595 1 2 . 1 1 58 58 ARG HA H 58 3.656 3.656 3.629 0.027 19511 596 1 2 . 1 1 58 58 ARG CA C 58 53.865 53.865 56.577 -2.712 19511 597 1 2 . 1 1 58 58 ARG CB C 58 25.436 25.436 28.996 -3.560 19511 598 1 2 . 1 1 58 58 ARG H H 58 8.806 8.806 7.859 0.947 19511 599 1 2 . 1 1 59 59 ARG N N 59 120.172 120.172 114.425 5.747 19511 600 1 2 . 1 1 59 59 ARG CB C 59 29.582 29.582 30.521 -0.939 19511 601 1 2 . 1 1 59 59 ARG H H 59 8.345 8.345 7.358 0.987 19511 602 1 2 . 1 1 60 60 ALA N N 60 122.418 122.418 123.196 -0.778 19511 603 1 2 . 1 1 60 60 ALA HA H 60 4.420 4.420 4.448 -0.028 19511 604 1 2 . 1 1 60 60 ALA CA C 60 53.005 53.005 53.271 -0.266 19511 605 1 2 . 1 1 60 60 ALA CB C 60 15.567 15.567 19.084 -3.518 19511 606 1 2 . 1 1 60 60 ALA H H 60 7.587 7.587 7.841 -0.254 19511 607 1 2 . 1 1 61 61 LYS N N 61 119.912 119.912 120.332 -0.420 19511 608 1 2 . 1 1 61 61 LYS HA H 61 4.003 4.003 3.763 0.240 19511 609 1 2 . 1 1 61 61 LYS CA C 61 57.164 57.164 59.723 -2.559 19511 610 1 2 . 1 1 61 61 LYS CB C 61 30.390 30.390 31.603 -1.213 19511 611 1 2 . 1 1 61 61 LYS H H 61 7.856 7.856 8.367 -0.511 19511 612 1 2 . 1 1 62 62 TRP N N 62 119.782 119.782 117.110 2.672 19511 613 1 2 . 1 1 62 62 TRP HA H 62 4.535 4.535 4.447 0.088 19511 614 1 2 . 1 1 62 62 TRP CA C 62 57.359 57.359 59.168 -1.809 19511 615 1 2 . 1 1 62 62 TRP CB C 62 27.020 27.020 28.819 -1.799 19511 616 1 2 . 1 1 62 62 TRP H H 62 8.265 8.265 7.426 0.839 19511 617 1 2 . 1 1 63 63 LYS N N 63 117.139 117.139 120.060 -2.921 19511 618 1 2 . 1 1 63 63 LYS HA H 63 3.713 3.713 4.081 -0.368 19511 619 1 2 . 1 1 63 63 LYS CA C 63 56.518 56.518 58.741 -2.223 19511 620 1 2 . 1 1 63 63 LYS CB C 63 30.224 30.224 32.070 -1.846 19511 621 1 2 . 1 1 63 63 LYS H H 63 8.262 8.262 8.361 -0.099 19511 622 1 2 . 1 1 64 64 ARG N N 64 118.868 118.868 117.086 1.782 19511 623 1 2 . 1 1 64 64 ARG HA H 64 4.192 4.192 4.171 0.021 19511 624 1 2 . 1 1 64 64 ARG CA C 64 56.249 56.249 58.251 -2.002 19511 625 1 2 . 1 1 64 64 ARG CB C 64 28.227 28.227 30.035 -1.808 19511 626 1 2 . 1 1 64 64 ARG H H 64 7.737 7.737 8.135 -0.398 19511 627 1 2 . 1 1 65 65 ILE N N 65 119.744 119.744 118.513 1.231 19511 628 1 2 . 1 1 65 65 ILE HA H 65 4.012 4.012 4.137 -0.125 19511 629 1 2 . 1 1 65 65 ILE CA C 65 60.187 60.187 62.922 -2.735 19511 630 1 2 . 1 1 65 65 ILE CB C 65 35.588 35.588 38.756 -3.168 19511 631 1 2 . 1 1 65 65 ILE H H 65 8.010 8.010 7.919 0.091 19511 632 1 2 . 1 1 66 66 LYS N N 66 122.316 122.316 121.837 0.479 19511 633 1 2 . 1 1 66 66 LYS HA H 66 4.106 4.106 4.236 -0.130 19511 634 1 2 . 1 1 66 66 LYS CA C 66 54.657 54.657 55.385 -0.727 19511 635 1 2 . 1 1 66 66 LYS CB C 66 29.634 29.634 30.552 -0.918 19511 636 1 2 . 1 1 66 66 LYS H H 66 8.055 8.055 8.174 -0.119 19511 637 1 2 . 1 1 67 67 ALA N N 67 122.520 122.520 121.995 0.525 19511 638 1 2 . 1 1 67 67 ALA HA H 67 4.291 4.291 4.629 -0.338 19511 639 1 2 . 1 1 67 67 ALA CA C 67 50.463 50.463 51.631 -1.168 19511 640 1 2 . 1 1 67 67 ALA CB C 67 16.535 16.535 20.846 -4.311 19511 641 1 2 . 1 1 67 67 ALA H H 67 7.846 7.846 7.769 0.077 19511 642 1 2 . 1 1 68 68 GLY N N 68 106.371 106.371 111.375 -5.004 19511 643 1 2 . 1 1 68 68 GLY CA C 68 42.991 42.991 45.048 -2.057 19511 644 1 2 . 1 1 68 68 GLY H H 68 8.053 8.053 8.798 -0.745 19511 645 1 2 . 1 1 69 69 ASN N N 69 118.766 118.766 118.723 0.043 19511 646 1 2 . 1 1 69 69 ASN HA H 69 4.832 4.832 4.786 0.046 19511 647 1 2 . 1 1 69 69 ASN CA C 69 50.749 50.749 52.495 -1.746 19511 648 1 2 . 1 1 69 69 ASN CB C 69 36.737 36.737 41.923 -5.186 19511 649 1 2 . 1 1 69 69 ASN H H 69 8.166 8.166 7.906 0.260 19511 650 1 2 . 1 1 70 70 VAL N N 70 119.471 119.471 120.605 -1.134 19511 651 1 2 . 1 1 70 70 VAL HA H 70 4.265 4.265 4.139 0.126 19511 652 1 2 . 1 1 70 70 VAL CA C 70 59.765 59.765 63.516 -3.751 19511 653 1 2 . 1 1 70 70 VAL CB C 70 30.482 30.482 32.194 -1.712 19511 654 1 2 . 1 1 70 70 VAL H H 70 8.087 8.087 8.318 -0.231 19511 655 1 3 . 1 1 3 3 PRO HA H 3 4.499 4.499 4.320 0.179 19511 656 1 3 . 1 1 3 3 PRO CA C 3 61.077 61.077 62.743 -1.666 19511 657 1 3 . 1 1 3 3 PRO CB C 3 29.635 29.635 32.208 -2.573 19511 658 1 3 . 1 1 4 4 GLY N N 4 109.482 109.482 109.791 -0.309 19511 659 1 3 . 1 1 4 4 GLY CA C 4 42.963 42.963 45.049 -2.086 19511 660 1 3 . 1 1 4 4 GLY H H 4 8.521 8.521 8.774 -0.253 19511 661 1 3 . 1 1 5 5 GLY N N 5 108.605 108.605 110.902 -2.297 19511 662 1 3 . 1 1 5 5 GLY CA C 5 42.869 42.869 44.775 -1.906 19511 663 1 3 . 1 1 5 5 GLY H H 5 8.245 8.245 8.156 0.089 19511 664 1 3 . 1 1 6 6 LYS N N 6 120.900 120.900 124.783 -3.883 19511 665 1 3 . 1 1 6 6 LYS HA H 6 4.454 4.454 4.629 -0.175 19511 666 1 3 . 1 1 6 6 LYS CA C 6 53.594 53.594 55.684 -2.090 19511 667 1 3 . 1 1 6 6 LYS CB C 6 31.034 31.034 31.983 -0.949 19511 668 1 3 . 1 1 6 6 LYS H H 6 8.201 8.201 8.424 -0.223 19511 669 1 3 . 1 1 7 7 SER N N 7 118.055 118.055 117.952 0.103 19511 670 1 3 . 1 1 7 7 SER HA H 7 4.533 4.533 4.512 0.021 19511 671 1 3 . 1 1 7 7 SER CA C 7 55.637 55.637 57.788 -2.151 19511 672 1 3 . 1 1 7 7 SER CB C 7 61.343 61.343 64.381 -3.038 19511 673 1 3 . 1 1 7 7 SER H H 7 8.425 8.425 8.471 -0.046 19511 674 1 3 . 1 1 8 8 ARG HA H 8 4.547 4.547 4.161 0.386 19511 675 1 3 . 1 1 8 8 ARG CA C 8 53.146 53.146 56.953 -3.807 19511 676 1 3 . 1 1 8 8 ARG CB C 8 29.317 29.317 30.029 -0.712 19511 677 1 3 . 1 1 9 9 ARG N N 9 124.954 124.954 125.416 -0.462 19511 678 1 3 . 1 1 9 9 ARG HA H 9 4.321 4.321 4.388 -0.067 19511 679 1 3 . 1 1 9 9 ARG CA C 9 54.049 54.049 55.002 -0.953 19511 680 1 3 . 1 1 9 9 ARG CB C 9 28.705 28.705 31.229 -2.524 19511 681 1 3 . 1 1 9 9 ARG H H 9 9.037 9.037 8.494 0.543 19511 682 1 3 . 1 1 10 10 ARG N N 10 122.493 122.493 124.728 -2.235 19511 683 1 3 . 1 1 10 10 ARG HA H 10 4.322 4.322 4.180 0.142 19511 684 1 3 . 1 1 10 10 ARG CA C 10 53.971 53.971 56.192 -2.221 19511 685 1 3 . 1 1 10 10 ARG CB C 10 28.386 28.386 29.989 -1.603 19511 686 1 3 . 1 1 10 10 ARG H H 10 8.350 8.350 8.666 -0.316 19511 687 1 3 . 1 1 11 11 ARG N N 11 123.361 123.361 123.859 -0.498 19511 688 1 3 . 1 1 11 11 ARG HA H 11 4.312 4.312 4.335 -0.023 19511 689 1 3 . 1 1 11 11 ARG CA C 11 53.146 53.146 56.510 -3.364 19511 690 1 3 . 1 1 11 11 ARG CB C 11 30.162 30.162 30.885 -0.723 19511 691 1 3 . 1 1 11 11 ARG H H 11 8.508 8.508 8.770 -0.262 19511 692 1 3 . 1 1 12 12 THR N N 12 126.287 126.287 113.203 13.084 19511 693 1 3 . 1 1 12 12 THR HA H 12 3.790 3.790 4.332 -0.542 19511 694 1 3 . 1 1 12 12 THR CA C 12 62.948 62.948 60.966 1.982 19511 695 1 3 . 1 1 12 12 THR CB C 12 66.854 66.854 71.142 -4.288 19511 696 1 3 . 1 1 12 12 THR H H 12 8.068 8.068 7.297 0.771 19511 697 1 3 . 1 1 13 13 ALA N N 13 129.745 129.745 123.319 6.426 19511 698 1 3 . 1 1 13 13 ALA HA H 13 4.664 4.664 4.608 0.056 19511 699 1 3 . 1 1 13 13 ALA CA C 13 47.602 47.602 51.975 -4.373 19511 700 1 3 . 1 1 13 13 ALA CB C 13 16.412 16.412 18.907 -2.495 19511 701 1 3 . 1 1 13 13 ALA H H 13 8.317 8.317 7.999 0.318 19511 702 1 3 . 1 1 14 14 PHE N N 14 124.589 124.589 118.237 6.352 19511 703 1 3 . 1 1 14 14 PHE HA H 14 4.708 4.708 4.591 0.117 19511 704 1 3 . 1 1 14 14 PHE CA C 14 56.288 56.288 55.886 0.402 19511 705 1 3 . 1 1 14 14 PHE CB C 14 38.229 38.229 39.853 -1.624 19511 706 1 3 . 1 1 14 14 PHE H H 14 8.594 8.594 7.307 1.287 19511 707 1 3 . 1 1 15 15 THR N N 15 113.746 113.746 109.111 4.635 19511 708 1 3 . 1 1 15 15 THR HA H 15 4.575 4.575 4.686 -0.111 19511 709 1 3 . 1 1 15 15 THR CA C 15 58.027 58.027 60.233 -2.206 19511 710 1 3 . 1 1 15 15 THR CB C 15 68.256 68.256 71.730 -3.474 19511 711 1 3 . 1 1 15 15 THR H H 15 9.053 9.053 8.122 0.931 19511 712 1 3 . 1 1 16 16 SER N N 16 116.624 116.624 115.950 0.674 19511 713 1 3 . 1 1 16 16 SER HA H 16 4.713 4.713 4.082 0.631 19511 714 1 3 . 1 1 16 16 SER CA C 16 59.750 59.750 61.358 -1.608 19511 715 1 3 . 1 1 16 16 SER CB C 16 59.639 59.639 62.792 -3.153 19511 716 1 3 . 1 1 16 16 SER H H 16 9.092 9.092 8.658 0.434 19511 717 1 3 . 1 1 17 17 GLU N N 17 120.287 120.287 122.303 -2.016 19511 718 1 3 . 1 1 17 17 GLU HA H 17 4.081 4.081 4.178 -0.097 19511 719 1 3 . 1 1 17 17 GLU CA C 17 57.565 57.565 58.753 -1.188 19511 720 1 3 . 1 1 17 17 GLU CB C 17 26.998 26.998 29.320 -2.322 19511 721 1 3 . 1 1 17 17 GLU H H 17 8.560 8.560 8.432 0.128 19511 722 1 3 . 1 1 18 18 GLN N N 18 118.169 118.169 116.244 1.925 19511 723 1 3 . 1 1 18 18 GLN HA H 18 3.898 3.898 4.085 -0.187 19511 724 1 3 . 1 1 18 18 GLN CA C 18 56.609 56.609 57.071 -0.462 19511 725 1 3 . 1 1 18 18 GLN CB C 18 32.647 32.647 28.766 3.881 19511 726 1 3 . 1 1 18 18 GLN H H 18 7.769 7.769 7.618 0.151 19511 727 1 3 . 1 1 19 19 LEU N N 19 116.929 116.929 117.111 -0.182 19511 728 1 3 . 1 1 19 19 LEU HA H 19 3.655 3.655 4.363 -0.708 19511 729 1 3 . 1 1 19 19 LEU CA C 19 55.390 55.390 54.209 1.181 19511 730 1 3 . 1 1 19 19 LEU CB C 19 39.414 39.414 42.986 -3.572 19511 731 1 3 . 1 1 19 19 LEU H H 19 8.227 8.227 7.339 0.888 19511 732 1 3 . 1 1 20 20 LEU N N 20 118.864 118.864 120.608 -1.744 19511 733 1 3 . 1 1 20 20 LEU HA H 20 4.034 4.034 4.067 -0.033 19511 734 1 3 . 1 1 20 20 LEU CA C 20 55.765 55.765 58.041 -2.276 19511 735 1 3 . 1 1 20 20 LEU CB C 20 39.758 39.758 42.025 -2.267 19511 736 1 3 . 1 1 20 20 LEU H H 20 8.037 8.037 7.414 0.623 19511 737 1 3 . 1 1 21 21 GLU N N 21 118.147 118.147 115.605 2.542 19511 738 1 3 . 1 1 21 21 GLU HA H 21 4.159 4.159 4.342 -0.183 19511 739 1 3 . 1 1 21 21 GLU CA C 21 56.062 56.062 58.097 -2.035 19511 740 1 3 . 1 1 21 21 GLU CB C 21 27.576 27.576 29.989 -2.413 19511 741 1 3 . 1 1 21 21 GLU H H 21 7.491 7.491 8.175 -0.684 19511 742 1 3 . 1 1 22 22 LEU N N 22 122.316 122.316 122.740 -0.424 19511 743 1 3 . 1 1 22 22 LEU HA H 22 3.534 3.534 3.797 -0.263 19511 744 1 3 . 1 1 22 22 LEU CA C 22 56.091 56.091 58.117 -2.026 19511 745 1 3 . 1 1 22 22 LEU CB C 22 35.557 35.557 41.511 -5.954 19511 746 1 3 . 1 1 22 22 LEU H H 22 8.254 8.254 7.967 0.287 19511 747 1 3 . 1 1 23 23 GLU N N 23 117.645 117.645 118.039 -0.394 19511 748 1 3 . 1 1 23 23 GLU HA H 23 4.319 4.319 4.153 0.166 19511 749 1 3 . 1 1 23 23 GLU CA C 23 56.627 56.627 59.649 -3.022 19511 750 1 3 . 1 1 23 23 GLU CB C 23 26.800 26.800 29.331 -2.531 19511 751 1 3 . 1 1 23 23 GLU H H 23 8.084 8.084 7.887 0.197 19511 752 1 3 . 1 1 24 24 LYS N N 24 120.989 120.989 119.605 1.384 19511 753 1 3 . 1 1 24 24 LYS HA H 24 4.088 4.088 4.045 0.043 19511 754 1 3 . 1 1 24 24 LYS CA C 24 57.392 57.392 59.303 -1.911 19511 755 1 3 . 1 1 24 24 LYS H H 24 7.884 7.884 8.169 -0.285 19511 756 1 3 . 1 1 25 25 GLU N N 25 119.686 119.686 119.408 0.278 19511 757 1 3 . 1 1 25 25 GLU HA H 25 4.325 4.325 4.111 0.214 19511 758 1 3 . 1 1 25 25 GLU CA C 25 56.529 56.529 59.257 -2.728 19511 759 1 3 . 1 1 25 25 GLU CB C 25 26.344 26.344 29.607 -3.263 19511 760 1 3 . 1 1 25 25 GLU H H 25 8.179 8.179 8.157 0.022 19511 761 1 3 . 1 1 26 26 PHE N N 26 121.229 121.229 118.167 3.062 19511 762 1 3 . 1 1 26 26 PHE HA H 26 4.769 4.769 4.585 0.184 19511 763 1 3 . 1 1 26 26 PHE CA C 26 57.746 57.746 59.315 -1.569 19511 764 1 3 . 1 1 26 26 PHE CB C 26 41.554 41.554 39.053 2.501 19511 765 1 3 . 1 1 26 26 PHE H H 26 8.896 8.896 8.153 0.743 19511 766 1 3 . 1 1 27 27 HIS N N 27 115.789 115.789 119.579 -3.790 19511 767 1 3 . 1 1 27 27 HIS HA H 27 4.069 4.069 4.359 -0.290 19511 768 1 3 . 1 1 27 27 HIS CA C 27 56.598 56.598 59.146 -2.548 19511 769 1 3 . 1 1 27 27 HIS CB C 27 27.235 27.235 29.936 -2.700 19511 770 1 3 . 1 1 27 27 HIS H H 27 8.110 8.110 7.699 0.410 19511 771 1 3 . 1 1 28 28 CYS N N 28 115.311 115.311 116.026 -0.715 19511 772 1 3 . 1 1 28 28 CYS HA H 28 4.553 4.553 4.224 0.329 19511 773 1 3 . 1 1 28 28 CYS CA C 28 54.270 54.270 60.359 -6.089 19511 774 1 3 . 1 1 28 28 CYS CB C 28 39.551 39.551 28.489 11.062 19511 775 1 3 . 1 1 28 28 CYS H H 28 7.470 7.470 7.930 -0.460 19511 776 1 3 . 1 1 29 29 LYS N N 29 122.013 122.013 118.302 3.711 19511 777 1 3 . 1 1 29 29 LYS HA H 29 4.412 4.412 4.248 0.164 19511 778 1 3 . 1 1 29 29 LYS CA C 29 53.840 53.840 54.741 -0.901 19511 779 1 3 . 1 1 29 29 LYS CB C 29 32.448 32.448 33.264 -0.816 19511 780 1 3 . 1 1 29 29 LYS H H 29 8.648 8.648 7.137 1.511 19511 781 1 3 . 1 1 30 30 LYS N N 30 117.519 117.519 122.932 -5.413 19511 782 1 3 . 1 1 30 30 LYS HA H 30 3.837 3.837 3.438 0.399 19511 783 1 3 . 1 1 30 30 LYS CA C 30 53.748 53.748 56.392 -2.644 19511 784 1 3 . 1 1 30 30 LYS CB C 30 30.195 30.195 32.234 -2.039 19511 785 1 3 . 1 1 30 30 LYS H H 30 7.887 7.887 8.452 -0.565 19511 786 1 3 . 1 1 31 31 TYR N N 31 112.770 112.770 110.523 2.247 19511 787 1 3 . 1 1 31 31 TYR HA H 31 4.591 4.591 4.970 -0.379 19511 788 1 3 . 1 1 31 31 TYR CA C 31 53.415 53.415 54.392 -0.977 19511 789 1 3 . 1 1 31 31 TYR CB C 31 39.905 39.905 39.657 0.247 19511 790 1 3 . 1 1 31 31 TYR H H 31 7.368 7.368 6.691 0.677 19511 791 1 3 . 1 1 32 32 LEU N N 32 120.286 120.286 121.771 -1.485 19511 792 1 3 . 1 1 32 32 LEU HA H 32 4.766 4.766 4.604 0.162 19511 793 1 3 . 1 1 32 32 LEU CA C 32 50.290 50.290 54.068 -3.778 19511 794 1 3 . 1 1 32 32 LEU CB C 32 42.846 42.846 43.694 -0.848 19511 795 1 3 . 1 1 32 32 LEU H H 32 8.442 8.442 8.345 0.097 19511 796 1 3 . 1 1 33 33 SER N N 33 120.490 120.490 124.386 -3.896 19511 797 1 3 . 1 1 33 33 SER HA H 33 4.045 4.045 4.439 -0.394 19511 798 1 3 . 1 1 33 33 SER CA C 33 54.957 54.957 59.005 -4.048 19511 799 1 3 . 1 1 33 33 SER CB C 33 63.875 63.875 62.204 1.671 19511 800 1 3 . 1 1 33 33 SER H H 33 9.439 9.439 9.161 0.278 19511 801 1 3 . 1 1 34 34 LEU N N 34 121.725 121.725 120.891 0.834 19511 802 1 3 . 1 1 34 34 LEU HA H 34 4.059 4.059 3.950 0.109 19511 803 1 3 . 1 1 34 34 LEU CA C 34 56.683 56.683 58.284 -1.601 19511 804 1 3 . 1 1 34 34 LEU CB C 34 38.920 38.920 40.010 -1.090 19511 805 1 3 . 1 1 34 34 LEU H H 34 8.886 8.886 8.541 0.345 19511 806 1 3 . 1 1 35 35 THR N N 35 113.779 113.779 115.726 -1.947 19511 807 1 3 . 1 1 35 35 THR HA H 35 4.047 4.047 4.030 0.017 19511 808 1 3 . 1 1 35 35 THR CA C 35 63.322 63.322 65.884 -2.562 19511 809 1 3 . 1 1 35 35 THR CB C 35 65.973 65.973 68.539 -2.566 19511 810 1 3 . 1 1 35 35 THR H H 35 8.142 8.142 8.064 0.078 19511 811 1 3 . 1 1 36 36 GLU N N 36 122.728 122.728 119.778 2.950 19511 812 1 3 . 1 1 36 36 GLU HA H 36 4.036 4.036 4.016 0.020 19511 813 1 3 . 1 1 36 36 GLU CA C 36 56.454 56.454 59.386 -2.932 19511 814 1 3 . 1 1 36 36 GLU CB C 36 27.949 27.949 28.753 -0.805 19511 815 1 3 . 1 1 36 36 GLU H H 36 7.658 7.658 8.733 -1.075 19511 816 1 3 . 1 1 37 37 ARG N N 37 118.862 118.862 119.058 -0.196 19511 817 1 3 . 1 1 37 37 ARG HA H 37 3.842 3.842 4.089 -0.247 19511 818 1 3 . 1 1 37 37 ARG CA C 37 57.537 57.537 59.219 -1.682 19511 819 1 3 . 1 1 37 37 ARG CB C 37 28.496 28.496 30.421 -1.925 19511 820 1 3 . 1 1 37 37 ARG H H 37 8.762 8.762 7.935 0.827 19511 821 1 3 . 1 1 38 38 SER N N 38 113.126 113.126 114.163 -1.037 19511 822 1 3 . 1 1 38 38 SER HA H 38 4.039 4.039 4.156 -0.117 19511 823 1 3 . 1 1 38 38 SER CA C 38 60.349 60.349 61.108 -0.759 19511 824 1 3 . 1 1 38 38 SER CB C 38 65.383 65.383 62.254 3.129 19511 825 1 3 . 1 1 38 38 SER H H 38 7.989 7.989 7.821 0.168 19511 826 1 3 . 1 1 39 39 GLN N N 39 121.461 121.461 121.927 -0.466 19511 827 1 3 . 1 1 39 39 GLN HA H 39 4.176 4.176 3.993 0.183 19511 828 1 3 . 1 1 39 39 GLN CA C 39 56.766 56.766 58.770 -2.004 19511 829 1 3 . 1 1 39 39 GLN CB C 39 25.985 25.985 28.633 -2.648 19511 830 1 3 . 1 1 39 39 GLN H H 39 8.017 8.017 7.224 0.793 19511 831 1 3 . 1 1 40 40 ILE N N 40 121.303 121.303 119.723 1.580 19511 832 1 3 . 1 1 40 40 ILE HA H 40 3.943 3.943 3.664 0.279 19511 833 1 3 . 1 1 40 40 ILE CA C 40 62.170 62.170 64.112 -1.942 19511 834 1 3 . 1 1 40 40 ILE CB C 40 35.984 35.984 37.560 -1.576 19511 835 1 3 . 1 1 40 40 ILE H H 40 8.290 8.290 7.735 0.555 19511 836 1 3 . 1 1 41 41 ALA N N 41 121.610 121.610 120.586 1.024 19511 837 1 3 . 1 1 41 41 ALA HA H 41 3.757 3.757 3.998 -0.241 19511 838 1 3 . 1 1 41 41 ALA CA C 41 53.812 53.812 54.547 -0.735 19511 839 1 3 . 1 1 41 41 ALA CB C 41 15.288 15.288 18.328 -3.040 19511 840 1 3 . 1 1 41 41 ALA H H 41 8.201 8.201 7.417 0.784 19511 841 1 3 . 1 1 42 42 HIS N N 42 114.498 114.498 113.960 0.538 19511 842 1 3 . 1 1 42 42 HIS HA H 42 3.751 3.751 4.570 -0.819 19511 843 1 3 . 1 1 42 42 HIS CA C 42 53.713 53.713 55.875 -2.162 19511 844 1 3 . 1 1 42 42 HIS CB C 42 25.282 25.282 31.188 -5.906 19511 845 1 3 . 1 1 42 42 HIS H H 42 8.136 8.136 7.929 0.207 19511 846 1 3 . 1 1 43 43 ALA N N 43 121.763 121.763 122.046 -0.283 19511 847 1 3 . 1 1 43 43 ALA HA H 43 4.118 4.118 4.298 -0.180 19511 848 1 3 . 1 1 43 43 ALA CA C 43 52.521 52.521 54.107 -1.586 19511 849 1 3 . 1 1 43 43 ALA CB C 43 16.046 16.046 19.959 -3.913 19511 850 1 3 . 1 1 43 43 ALA H H 43 8.181 8.181 7.910 0.271 19511 851 1 3 . 1 1 44 44 LEU N N 44 114.063 114.063 119.000 -4.937 19511 852 1 3 . 1 1 44 44 LEU HA H 44 4.416 4.416 4.314 0.102 19511 853 1 3 . 1 1 44 44 LEU CA C 44 51.814 51.814 55.588 -3.774 19511 854 1 3 . 1 1 44 44 LEU CB C 44 40.181 40.181 43.550 -3.369 19511 855 1 3 . 1 1 44 44 LEU H H 44 8.016 8.016 7.717 0.299 19511 856 1 3 . 1 1 45 45 LYS N N 45 116.933 116.933 115.566 1.367 19511 857 1 3 . 1 1 45 45 LYS HA H 45 4.026 4.026 4.324 -0.298 19511 858 1 3 . 1 1 45 45 LYS CA C 45 54.887 54.887 56.347 -1.460 19511 859 1 3 . 1 1 45 45 LYS CB C 45 26.031 26.031 31.765 -5.734 19511 860 1 3 . 1 1 45 45 LYS H H 45 7.867 7.867 8.256 -0.389 19511 861 1 3 . 1 1 46 46 LEU N N 46 119.776 119.776 121.052 -1.276 19511 862 1 3 . 1 1 46 46 LEU HA H 46 4.937 4.937 4.624 0.313 19511 863 1 3 . 1 1 46 46 LEU CA C 46 49.983 49.983 54.276 -4.293 19511 864 1 3 . 1 1 46 46 LEU CB C 46 45.389 45.389 42.812 2.576 19511 865 1 3 . 1 1 46 46 LEU H H 46 8.517 8.517 7.762 0.755 19511 866 1 3 . 1 1 47 47 SER N N 47 114.945 114.945 114.891 0.054 19511 867 1 3 . 1 1 47 47 SER HA H 47 4.856 4.856 4.755 0.101 19511 868 1 3 . 1 1 47 47 SER CA C 47 54.112 54.112 57.325 -3.213 19511 869 1 3 . 1 1 47 47 SER CB C 47 62.635 62.635 65.354 -2.719 19511 870 1 3 . 1 1 47 47 SER H H 47 9.225 9.225 8.403 0.822 19511 871 1 3 . 1 1 48 48 GLU N N 48 122.216 122.216 125.810 -3.594 19511 872 1 3 . 1 1 48 48 GLU HA H 48 3.778 3.778 3.953 -0.175 19511 873 1 3 . 1 1 48 48 GLU CA C 48 58.893 58.893 60.102 -1.209 19511 874 1 3 . 1 1 48 48 GLU CB C 48 27.002 27.002 29.299 -2.297 19511 875 1 3 . 1 1 48 48 GLU H H 48 9.278 9.278 9.055 0.223 19511 876 1 3 . 1 1 49 49 VAL N N 49 118.235 118.235 119.098 -0.863 19511 877 1 3 . 1 1 49 49 VAL HA H 49 3.854 3.854 3.849 0.005 19511 878 1 3 . 1 1 49 49 VAL CA C 49 63.808 63.808 65.909 -2.101 19511 879 1 3 . 1 1 49 49 VAL CB C 49 29.556 29.556 30.947 -1.391 19511 880 1 3 . 1 1 49 49 VAL H H 49 7.993 7.993 8.189 -0.196 19511 881 1 3 . 1 1 50 50 GLN N N 50 119.879 119.879 118.090 1.789 19511 882 1 3 . 1 1 50 50 GLN HA H 50 4.296 4.296 4.187 0.109 19511 883 1 3 . 1 1 50 50 GLN CA C 50 57.495 57.495 58.330 -0.835 19511 884 1 3 . 1 1 50 50 GLN CB C 50 27.381 27.381 28.936 -1.555 19511 885 1 3 . 1 1 50 50 GLN H H 50 7.705 7.705 7.674 0.031 19511 886 1 3 . 1 1 51 51 VAL N N 51 117.905 117.905 120.572 -2.667 19511 887 1 3 . 1 1 51 51 VAL HA H 51 3.818 3.818 3.738 0.080 19511 888 1 3 . 1 1 51 51 VAL CA C 51 64.839 64.839 66.387 -1.548 19511 889 1 3 . 1 1 51 51 VAL CB C 51 29.968 29.968 31.433 -1.465 19511 890 1 3 . 1 1 51 51 VAL H H 51 7.629 7.629 8.230 -0.601 19511 891 1 3 . 1 1 52 52 LYS N N 52 120.669 120.669 118.130 2.539 19511 892 1 3 . 1 1 52 52 LYS HA H 52 4.168 4.168 4.241 -0.073 19511 893 1 3 . 1 1 52 52 LYS CA C 52 57.489 57.489 58.945 -1.456 19511 894 1 3 . 1 1 52 52 LYS CB C 52 30.473 30.473 32.446 -1.973 19511 895 1 3 . 1 1 52 52 LYS H H 52 8.802 8.802 8.190 0.612 19511 896 1 3 . 1 1 53 53 ILE N N 53 120.041 120.041 115.469 4.572 19511 897 1 3 . 1 1 53 53 ILE HA H 53 3.710 3.710 3.952 -0.242 19511 898 1 3 . 1 1 53 53 ILE CA C 53 61.549 61.549 62.150 -0.601 19511 899 1 3 . 1 1 53 53 ILE CB C 53 35.022 35.022 39.822 -4.800 19511 900 1 3 . 1 1 53 53 ILE H H 53 8.711 8.711 7.308 1.403 19511 901 1 3 . 1 1 54 54 TRP N N 54 123.292 123.292 123.348 -0.056 19511 902 1 3 . 1 1 54 54 TRP HA H 54 4.731 4.731 4.156 0.575 19511 903 1 3 . 1 1 54 54 TRP CA C 54 60.105 60.105 61.302 -1.197 19511 904 1 3 . 1 1 54 54 TRP CB C 54 26.108 26.108 29.828 -3.720 19511 905 1 3 . 1 1 54 54 TRP H H 54 8.467 8.467 7.515 0.952 19511 906 1 3 . 1 1 55 55 PHE N N 55 118.279 118.279 112.680 5.599 19511 907 1 3 . 1 1 55 55 PHE HA H 55 3.801 3.801 4.387 -0.586 19511 908 1 3 . 1 1 55 55 PHE CA C 55 61.097 61.097 58.618 2.479 19511 909 1 3 . 1 1 55 55 PHE CB C 55 36.812 36.812 38.783 -1.971 19511 910 1 3 . 1 1 55 55 PHE H H 55 8.923 8.923 7.192 1.731 19511 911 1 3 . 1 1 56 56 GLN N N 56 117.830 117.830 121.719 -3.889 19511 912 1 3 . 1 1 56 56 GLN HA H 56 4.036 4.036 3.954 0.082 19511 913 1 3 . 1 1 56 56 GLN CA C 56 57.329 57.329 59.091 -1.762 19511 914 1 3 . 1 1 56 56 GLN CB C 56 25.312 25.312 28.122 -2.810 19511 915 1 3 . 1 1 56 56 GLN H H 56 7.994 7.994 7.847 0.147 19511 916 1 3 . 1 1 57 57 ASN N N 57 119.840 119.840 116.230 3.610 19511 917 1 3 . 1 1 57 57 ASN HA H 57 4.632 4.632 4.425 0.207 19511 918 1 3 . 1 1 57 57 ASN CA C 57 55.637 55.637 54.914 0.723 19511 919 1 3 . 1 1 57 57 ASN CB C 57 35.824 35.824 38.171 -2.347 19511 920 1 3 . 1 1 57 57 ASN H H 57 8.715 8.715 8.241 0.474 19511 921 1 3 . 1 1 58 58 ARG N N 58 125.366 125.366 117.514 7.852 19511 922 1 3 . 1 1 58 58 ARG HA H 58 3.656 3.656 4.318 -0.662 19511 923 1 3 . 1 1 58 58 ARG CA C 58 53.865 53.865 55.027 -1.162 19511 924 1 3 . 1 1 58 58 ARG CB C 58 25.436 25.436 31.022 -5.586 19511 925 1 3 . 1 1 58 58 ARG H H 58 8.806 8.806 7.816 0.990 19511 926 1 3 . 1 1 59 59 ARG N N 59 120.172 120.172 120.146 0.026 19511 927 1 3 . 1 1 59 59 ARG CB C 59 29.582 29.582 30.832 -1.250 19511 928 1 3 . 1 1 59 59 ARG H H 59 8.345 8.345 7.855 0.490 19511 929 1 3 . 1 1 60 60 ALA N N 60 122.418 122.418 121.577 0.841 19511 930 1 3 . 1 1 60 60 ALA HA H 60 4.420 4.420 4.351 0.069 19511 931 1 3 . 1 1 60 60 ALA CA C 60 53.005 53.005 53.749 -0.744 19511 932 1 3 . 1 1 60 60 ALA CB C 60 15.567 15.567 18.134 -2.567 19511 933 1 3 . 1 1 60 60 ALA H H 60 7.587 7.587 7.584 0.003 19511 934 1 3 . 1 1 61 61 LYS N N 61 119.912 119.912 119.728 0.184 19511 935 1 3 . 1 1 61 61 LYS HA H 61 4.003 4.003 3.823 0.180 19511 936 1 3 . 1 1 61 61 LYS CA C 61 57.164 57.164 59.312 -2.147 19511 937 1 3 . 1 1 61 61 LYS CB C 61 30.390 30.390 31.425 -1.035 19511 938 1 3 . 1 1 61 61 LYS H H 61 7.856 7.856 8.244 -0.388 19511 939 1 3 . 1 1 62 62 TRP N N 62 119.782 119.782 117.602 2.180 19511 940 1 3 . 1 1 62 62 TRP HA H 62 4.535 4.535 4.472 0.063 19511 941 1 3 . 1 1 62 62 TRP CA C 62 57.359 57.359 59.031 -1.672 19511 942 1 3 . 1 1 62 62 TRP CB C 62 27.020 27.020 29.052 -2.032 19511 943 1 3 . 1 1 62 62 TRP H H 62 8.265 8.265 7.647 0.618 19511 944 1 3 . 1 1 63 63 LYS N N 63 117.139 117.139 119.859 -2.720 19511 945 1 3 . 1 1 63 63 LYS HA H 63 3.713 3.713 4.012 -0.299 19511 946 1 3 . 1 1 63 63 LYS CA C 63 56.518 56.518 59.450 -2.932 19511 947 1 3 . 1 1 63 63 LYS CB C 63 30.224 30.224 31.987 -1.763 19511 948 1 3 . 1 1 63 63 LYS H H 63 8.262 8.262 8.256 0.006 19511 949 1 3 . 1 1 64 64 ARG N N 64 118.868 118.868 118.655 0.213 19511 950 1 3 . 1 1 64 64 ARG HA H 64 4.192 4.192 4.164 0.028 19511 951 1 3 . 1 1 64 64 ARG CA C 64 56.249 56.249 58.548 -2.299 19511 952 1 3 . 1 1 64 64 ARG CB C 64 28.227 28.227 29.617 -1.391 19511 953 1 3 . 1 1 64 64 ARG H H 64 7.737 7.737 8.564 -0.827 19511 954 1 3 . 1 1 65 65 ILE N N 65 119.744 119.744 116.157 3.587 19511 955 1 3 . 1 1 65 65 ILE HA H 65 4.012 4.012 4.053 -0.041 19511 956 1 3 . 1 1 65 65 ILE CA C 65 60.187 60.187 62.277 -2.090 19511 957 1 3 . 1 1 65 65 ILE CB C 65 35.588 35.588 38.412 -2.824 19511 958 1 3 . 1 1 65 65 ILE H H 65 8.010 8.010 7.363 0.647 19511 959 1 3 . 1 1 66 66 LYS N N 66 122.316 122.316 119.888 2.428 19511 960 1 3 . 1 1 66 66 LYS HA H 66 4.106 4.106 4.385 -0.279 19511 961 1 3 . 1 1 66 66 LYS CA C 66 54.657 54.657 55.384 -0.727 19511 962 1 3 . 1 1 66 66 LYS CB C 66 29.634 29.634 32.850 -3.216 19511 963 1 3 . 1 1 66 66 LYS H H 66 8.055 8.055 7.659 0.396 19511 964 1 3 . 1 1 67 67 ALA N N 67 122.520 122.520 122.440 0.080 19511 965 1 3 . 1 1 67 67 ALA HA H 67 4.291 4.291 4.615 -0.324 19511 966 1 3 . 1 1 67 67 ALA CA C 67 50.463 50.463 51.684 -1.220 19511 967 1 3 . 1 1 67 67 ALA CB C 67 16.535 16.535 19.451 -2.916 19511 968 1 3 . 1 1 67 67 ALA H H 67 7.846 7.846 7.812 0.034 19511 969 1 3 . 1 1 68 68 GLY N N 68 106.371 106.371 110.713 -4.342 19511 970 1 3 . 1 1 68 68 GLY CA C 68 42.991 42.991 44.954 -1.963 19511 971 1 3 . 1 1 68 68 GLY H H 68 8.053 8.053 8.154 -0.101 19511 972 1 3 . 1 1 69 69 ASN N N 69 118.766 118.766 119.433 -0.667 19511 973 1 3 . 1 1 69 69 ASN HA H 69 4.832 4.832 4.896 -0.064 19511 974 1 3 . 1 1 69 69 ASN CA C 69 50.749 50.749 52.370 -1.621 19511 975 1 3 . 1 1 69 69 ASN CB C 69 36.737 36.737 40.111 -3.374 19511 976 1 3 . 1 1 69 69 ASN H H 69 8.166 8.166 8.380 -0.214 19511 977 1 3 . 1 1 70 70 VAL N N 70 119.471 119.471 115.157 4.314 19511 978 1 3 . 1 1 70 70 VAL HA H 70 4.265 4.265 4.480 -0.215 19511 979 1 3 . 1 1 70 70 VAL CA C 70 59.765 59.765 61.245 -1.480 19511 980 1 3 . 1 1 70 70 VAL CB C 70 30.482 30.482 33.409 -2.927 19511 981 1 3 . 1 1 70 70 VAL H H 70 8.087 8.087 8.272 -0.185 19511 982 1 4 . 1 1 3 3 PRO HA H 3 4.499 4.499 4.458 0.041 19511 983 1 4 . 1 1 3 3 PRO CA C 3 61.077 61.077 62.572 -1.495 19511 984 1 4 . 1 1 3 3 PRO CB C 3 29.635 29.635 32.695 -3.060 19511 985 1 4 . 1 1 4 4 GLY N N 4 109.482 109.482 110.488 -1.006 19511 986 1 4 . 1 1 4 4 GLY CA C 4 42.963 42.963 44.979 -2.016 19511 987 1 4 . 1 1 4 4 GLY H H 4 8.521 8.521 8.623 -0.102 19511 988 1 4 . 1 1 5 5 GLY N N 5 108.605 108.605 112.143 -3.538 19511 989 1 4 . 1 1 5 5 GLY CA C 5 42.869 42.869 45.367 -2.498 19511 990 1 4 . 1 1 5 5 GLY H H 5 8.245 8.245 8.253 -0.008 19511 991 1 4 . 1 1 6 6 LYS N N 6 120.900 120.900 122.107 -1.207 19511 992 1 4 . 1 1 6 6 LYS HA H 6 4.454 4.454 4.376 0.078 19511 993 1 4 . 1 1 6 6 LYS CA C 6 53.594 53.594 56.080 -2.486 19511 994 1 4 . 1 1 6 6 LYS CB C 6 31.034 31.034 33.276 -2.242 19511 995 1 4 . 1 1 6 6 LYS H H 6 8.201 8.201 8.223 -0.022 19511 996 1 4 . 1 1 7 7 SER N N 7 118.055 118.055 116.224 1.831 19511 997 1 4 . 1 1 7 7 SER HA H 7 4.533 4.533 4.465 0.068 19511 998 1 4 . 1 1 7 7 SER CA C 7 55.637 55.637 57.921 -2.284 19511 999 1 4 . 1 1 7 7 SER CB C 7 61.343 61.343 63.619 -2.276 19511 1000 1 4 . 1 1 7 7 SER H H 7 8.425 8.425 8.442 -0.017 19511 1001 1 4 . 1 1 8 8 ARG HA H 8 4.547 4.547 4.503 0.044 19511 1002 1 4 . 1 1 8 8 ARG CA C 8 53.146 53.146 56.143 -2.997 19511 1003 1 4 . 1 1 8 8 ARG CB C 8 29.317 29.317 31.126 -1.809 19511 1004 1 4 . 1 1 9 9 ARG N N 9 124.954 124.954 121.530 3.424 19511 1005 1 4 . 1 1 9 9 ARG HA H 9 4.321 4.321 4.537 -0.216 19511 1006 1 4 . 1 1 9 9 ARG CA C 9 54.049 54.049 55.402 -1.353 19511 1007 1 4 . 1 1 9 9 ARG CB C 9 28.705 28.705 31.678 -2.973 19511 1008 1 4 . 1 1 9 9 ARG H H 9 9.037 9.037 8.480 0.557 19511 1009 1 4 . 1 1 10 10 ARG N N 10 122.493 122.493 125.032 -2.539 19511 1010 1 4 . 1 1 10 10 ARG HA H 10 4.322 4.322 4.233 0.089 19511 1011 1 4 . 1 1 10 10 ARG CA C 10 53.971 53.971 56.950 -2.979 19511 1012 1 4 . 1 1 10 10 ARG CB C 10 28.386 28.386 29.820 -1.434 19511 1013 1 4 . 1 1 10 10 ARG H H 10 8.350 8.350 8.822 -0.472 19511 1014 1 4 . 1 1 11 11 ARG N N 11 123.361 123.361 124.171 -0.810 19511 1015 1 4 . 1 1 11 11 ARG HA H 11 4.312 4.312 4.463 -0.151 19511 1016 1 4 . 1 1 11 11 ARG CA C 11 53.146 53.146 55.694 -2.548 19511 1017 1 4 . 1 1 11 11 ARG CB C 11 30.162 30.162 31.635 -1.473 19511 1018 1 4 . 1 1 11 11 ARG H H 11 8.508 8.508 8.287 0.221 19511 1019 1 4 . 1 1 12 12 THR N N 12 126.287 126.287 115.173 11.114 19511 1020 1 4 . 1 1 12 12 THR HA H 12 3.790 3.790 4.394 -0.604 19511 1021 1 4 . 1 1 12 12 THR CA C 12 62.948 62.948 61.226 1.722 19511 1022 1 4 . 1 1 12 12 THR CB C 12 66.854 66.854 70.842 -3.988 19511 1023 1 4 . 1 1 12 12 THR H H 12 8.068 8.068 7.668 0.400 19511 1024 1 4 . 1 1 13 13 ALA N N 13 129.745 129.745 130.308 -0.563 19511 1025 1 4 . 1 1 13 13 ALA HA H 13 4.664 4.664 4.475 0.189 19511 1026 1 4 . 1 1 13 13 ALA CA C 13 47.602 47.602 51.227 -3.626 19511 1027 1 4 . 1 1 13 13 ALA CB C 13 16.412 16.412 18.327 -1.915 19511 1028 1 4 . 1 1 13 13 ALA H H 13 8.317 8.317 8.275 0.042 19511 1029 1 4 . 1 1 14 14 PHE N N 14 124.589 124.589 118.448 6.141 19511 1030 1 4 . 1 1 14 14 PHE HA H 14 4.708 4.708 4.737 -0.029 19511 1031 1 4 . 1 1 14 14 PHE CA C 14 56.288 56.288 55.382 0.906 19511 1032 1 4 . 1 1 14 14 PHE CB C 14 38.229 38.229 41.908 -3.679 19511 1033 1 4 . 1 1 14 14 PHE H H 14 8.594 8.594 7.326 1.268 19511 1034 1 4 . 1 1 15 15 THR N N 15 113.746 113.746 111.729 2.017 19511 1035 1 4 . 1 1 15 15 THR HA H 15 4.575 4.575 4.800 -0.225 19511 1036 1 4 . 1 1 15 15 THR CA C 15 58.027 58.027 59.875 -1.848 19511 1037 1 4 . 1 1 15 15 THR CB C 15 68.256 68.256 71.193 -2.937 19511 1038 1 4 . 1 1 15 15 THR H H 15 9.053 9.053 8.249 0.804 19511 1039 1 4 . 1 1 16 16 SER N N 16 116.624 116.624 115.408 1.216 19511 1040 1 4 . 1 1 16 16 SER HA H 16 4.713 4.713 4.303 0.410 19511 1041 1 4 . 1 1 16 16 SER CA C 16 59.750 59.750 60.423 -0.673 19511 1042 1 4 . 1 1 16 16 SER CB C 16 59.639 59.639 63.085 -3.446 19511 1043 1 4 . 1 1 16 16 SER H H 16 9.092 9.092 8.767 0.325 19511 1044 1 4 . 1 1 17 17 GLU N N 17 120.287 120.287 120.270 0.017 19511 1045 1 4 . 1 1 17 17 GLU HA H 17 4.081 4.081 4.242 -0.161 19511 1046 1 4 . 1 1 17 17 GLU CA C 17 57.565 57.565 58.190 -0.625 19511 1047 1 4 . 1 1 17 17 GLU CB C 17 26.998 26.998 30.014 -3.016 19511 1048 1 4 . 1 1 17 17 GLU H H 17 8.560 8.560 7.865 0.695 19511 1049 1 4 . 1 1 18 18 GLN N N 18 118.169 118.169 120.203 -2.034 19511 1050 1 4 . 1 1 18 18 GLN HA H 18 3.898 3.898 4.037 -0.139 19511 1051 1 4 . 1 1 18 18 GLN CA C 18 56.609 56.609 58.527 -1.918 19511 1052 1 4 . 1 1 18 18 GLN CB C 18 32.647 32.647 28.941 3.707 19511 1053 1 4 . 1 1 18 18 GLN H H 18 7.769 7.769 7.642 0.127 19511 1054 1 4 . 1 1 19 19 LEU N N 19 116.929 116.929 119.098 -2.169 19511 1055 1 4 . 1 1 19 19 LEU HA H 19 3.655 3.655 3.993 -0.338 19511 1056 1 4 . 1 1 19 19 LEU CA C 19 55.390 55.390 56.386 -0.996 19511 1057 1 4 . 1 1 19 19 LEU CB C 19 39.414 39.414 41.800 -2.386 19511 1058 1 4 . 1 1 19 19 LEU H H 19 8.227 8.227 8.181 0.046 19511 1059 1 4 . 1 1 20 20 LEU N N 20 118.864 118.864 121.024 -2.160 19511 1060 1 4 . 1 1 20 20 LEU HA H 20 4.034 4.034 3.908 0.126 19511 1061 1 4 . 1 1 20 20 LEU CA C 20 55.765 55.765 58.451 -2.686 19511 1062 1 4 . 1 1 20 20 LEU CB C 20 39.758 39.758 41.881 -2.123 19511 1063 1 4 . 1 1 20 20 LEU H H 20 8.037 8.037 7.567 0.470 19511 1064 1 4 . 1 1 21 21 GLU N N 21 118.147 118.147 118.182 -0.035 19511 1065 1 4 . 1 1 21 21 GLU HA H 21 4.159 4.159 4.002 0.157 19511 1066 1 4 . 1 1 21 21 GLU CA C 21 56.062 56.062 59.199 -3.137 19511 1067 1 4 . 1 1 21 21 GLU CB C 21 27.576 27.576 28.961 -1.385 19511 1068 1 4 . 1 1 21 21 GLU H H 21 7.491 7.491 7.984 -0.492 19511 1069 1 4 . 1 1 22 22 LEU N N 22 122.316 122.316 120.829 1.487 19511 1070 1 4 . 1 1 22 22 LEU HA H 22 3.534 3.534 3.813 -0.279 19511 1071 1 4 . 1 1 22 22 LEU CA C 22 56.091 56.091 58.010 -1.919 19511 1072 1 4 . 1 1 22 22 LEU CB C 22 35.557 35.557 41.713 -6.156 19511 1073 1 4 . 1 1 22 22 LEU H H 22 8.254 8.254 7.893 0.361 19511 1074 1 4 . 1 1 23 23 GLU N N 23 117.645 117.645 116.940 0.705 19511 1075 1 4 . 1 1 23 23 GLU HA H 23 4.319 4.319 4.242 0.077 19511 1076 1 4 . 1 1 23 23 GLU CA C 23 56.627 56.627 58.904 -2.277 19511 1077 1 4 . 1 1 23 23 GLU CB C 23 26.800 26.800 29.660 -2.860 19511 1078 1 4 . 1 1 23 23 GLU H H 23 8.084 8.084 8.103 -0.019 19511 1079 1 4 . 1 1 24 24 LYS N N 24 120.989 120.989 120.505 0.484 19511 1080 1 4 . 1 1 24 24 LYS HA H 24 4.088 4.088 4.125 -0.037 19511 1081 1 4 . 1 1 24 24 LYS CA C 24 57.392 57.392 59.318 -1.926 19511 1082 1 4 . 1 1 24 24 LYS H H 24 7.884 7.884 7.936 -0.052 19511 1083 1 4 . 1 1 25 25 GLU N N 25 119.686 119.686 118.297 1.389 19511 1084 1 4 . 1 1 25 25 GLU HA H 25 4.325 4.325 4.106 0.219 19511 1085 1 4 . 1 1 25 25 GLU CA C 25 56.529 56.529 58.708 -2.179 19511 1086 1 4 . 1 1 25 25 GLU CB C 25 26.344 26.344 28.840 -2.496 19511 1087 1 4 . 1 1 25 25 GLU H H 25 8.179 8.179 8.350 -0.171 19511 1088 1 4 . 1 1 26 26 PHE N N 26 121.229 121.229 121.257 -0.028 19511 1089 1 4 . 1 1 26 26 PHE HA H 26 4.769 4.769 4.624 0.145 19511 1090 1 4 . 1 1 26 26 PHE CA C 26 57.746 57.746 60.605 -2.859 19511 1091 1 4 . 1 1 26 26 PHE CB C 26 41.554 41.554 39.096 2.458 19511 1092 1 4 . 1 1 26 26 PHE H H 26 8.896 8.896 7.692 1.204 19511 1093 1 4 . 1 1 27 27 HIS N N 27 115.789 115.789 117.491 -1.702 19511 1094 1 4 . 1 1 27 27 HIS HA H 27 4.069 4.069 4.462 -0.393 19511 1095 1 4 . 1 1 27 27 HIS CA C 27 56.598 56.598 58.534 -1.936 19511 1096 1 4 . 1 1 27 27 HIS CB C 27 27.235 27.235 29.904 -2.669 19511 1097 1 4 . 1 1 27 27 HIS H H 27 8.110 8.110 8.357 -0.247 19511 1098 1 4 . 1 1 28 28 CYS N N 28 115.311 115.311 118.013 -2.702 19511 1099 1 4 . 1 1 28 28 CYS HA H 28 4.553 4.553 4.269 0.284 19511 1100 1 4 . 1 1 28 28 CYS CA C 28 54.270 54.270 59.573 -5.303 19511 1101 1 4 . 1 1 28 28 CYS CB C 28 39.551 39.551 29.248 10.303 19511 1102 1 4 . 1 1 28 28 CYS H H 28 7.470 7.470 7.734 -0.264 19511 1103 1 4 . 1 1 29 29 LYS N N 29 122.013 122.013 114.718 7.295 19511 1104 1 4 . 1 1 29 29 LYS HA H 29 4.412 4.412 4.332 0.080 19511 1105 1 4 . 1 1 29 29 LYS CA C 29 53.840 53.840 55.490 -1.650 19511 1106 1 4 . 1 1 29 29 LYS CB C 29 32.448 32.448 33.090 -0.642 19511 1107 1 4 . 1 1 29 29 LYS H H 29 8.648 8.648 7.618 1.030 19511 1108 1 4 . 1 1 30 30 LYS N N 30 117.519 117.519 119.420 -1.901 19511 1109 1 4 . 1 1 30 30 LYS HA H 30 3.837 3.837 3.422 0.415 19511 1110 1 4 . 1 1 30 30 LYS CA C 30 53.748 53.748 55.760 -2.012 19511 1111 1 4 . 1 1 30 30 LYS CB C 30 30.195 30.195 33.317 -3.122 19511 1112 1 4 . 1 1 30 30 LYS H H 30 7.887 7.887 8.009 -0.122 19511 1113 1 4 . 1 1 31 31 TYR N N 31 112.770 112.770 114.065 -1.295 19511 1114 1 4 . 1 1 31 31 TYR HA H 31 4.591 4.591 4.780 -0.189 19511 1115 1 4 . 1 1 31 31 TYR CA C 31 53.415 53.415 55.410 -1.995 19511 1116 1 4 . 1 1 31 31 TYR CB C 31 39.905 39.905 39.240 0.665 19511 1117 1 4 . 1 1 31 31 TYR H H 31 7.368 7.368 6.685 0.683 19511 1118 1 4 . 1 1 32 32 LEU N N 32 120.286 120.286 120.964 -0.678 19511 1119 1 4 . 1 1 32 32 LEU HA H 32 4.766 4.766 4.619 0.147 19511 1120 1 4 . 1 1 32 32 LEU CA C 32 50.290 50.290 55.549 -5.259 19511 1121 1 4 . 1 1 32 32 LEU CB C 32 42.846 42.846 43.730 -0.884 19511 1122 1 4 . 1 1 32 32 LEU H H 32 8.442 8.442 8.136 0.306 19511 1123 1 4 . 1 1 33 33 SER N N 33 120.490 120.490 117.617 2.873 19511 1124 1 4 . 1 1 33 33 SER HA H 33 4.045 4.045 4.917 -0.872 19511 1125 1 4 . 1 1 33 33 SER CA C 33 54.957 54.957 57.388 -2.430 19511 1126 1 4 . 1 1 33 33 SER CB C 33 63.875 63.875 64.906 -1.031 19511 1127 1 4 . 1 1 33 33 SER H H 33 9.439 9.439 8.098 1.341 19511 1128 1 4 . 1 1 34 34 LEU N N 34 121.725 121.725 120.102 1.623 19511 1129 1 4 . 1 1 34 34 LEU HA H 34 4.059 4.059 3.965 0.094 19511 1130 1 4 . 1 1 34 34 LEU CA C 34 56.683 56.683 57.626 -0.943 19511 1131 1 4 . 1 1 34 34 LEU CB C 34 38.920 38.920 40.917 -1.997 19511 1132 1 4 . 1 1 34 34 LEU H H 34 8.886 8.886 8.773 0.113 19511 1133 1 4 . 1 1 35 35 THR N N 35 113.779 113.779 112.446 1.333 19511 1134 1 4 . 1 1 35 35 THR HA H 35 4.047 4.047 4.394 -0.347 19511 1135 1 4 . 1 1 35 35 THR CA C 35 63.322 63.322 63.181 0.140 19511 1136 1 4 . 1 1 35 35 THR CB C 35 65.973 65.973 69.130 -3.157 19511 1137 1 4 . 1 1 35 35 THR H H 35 8.142 8.142 8.223 -0.081 19511 1138 1 4 . 1 1 36 36 GLU N N 36 122.728 122.728 121.072 1.656 19511 1139 1 4 . 1 1 36 36 GLU HA H 36 4.036 4.036 4.410 -0.374 19511 1140 1 4 . 1 1 36 36 GLU CA C 36 56.454 56.454 57.821 -1.367 19511 1141 1 4 . 1 1 36 36 GLU CB C 36 27.949 27.949 30.132 -2.183 19511 1142 1 4 . 1 1 36 36 GLU H H 36 7.658 7.658 8.006 -0.348 19511 1143 1 4 . 1 1 37 37 ARG N N 37 118.862 118.862 121.321 -2.459 19511 1144 1 4 . 1 1 37 37 ARG HA H 37 3.842 3.842 4.123 -0.281 19511 1145 1 4 . 1 1 37 37 ARG CA C 37 57.537 57.537 59.902 -2.365 19511 1146 1 4 . 1 1 37 37 ARG CB C 37 28.496 28.496 30.164 -1.668 19511 1147 1 4 . 1 1 37 37 ARG H H 37 8.762 8.762 8.394 0.368 19511 1148 1 4 . 1 1 38 38 SER N N 38 113.126 113.126 109.622 3.504 19511 1149 1 4 . 1 1 38 38 SER HA H 38 4.039 4.039 3.611 0.428 19511 1150 1 4 . 1 1 38 38 SER CA C 38 60.349 60.349 59.575 0.774 19511 1151 1 4 . 1 1 38 38 SER CB C 38 65.383 65.383 61.979 3.404 19511 1152 1 4 . 1 1 38 38 SER H H 38 7.989 7.989 8.426 -0.437 19511 1153 1 4 . 1 1 39 39 GLN N N 39 121.461 121.461 122.141 -0.680 19511 1154 1 4 . 1 1 39 39 GLN HA H 39 4.176 4.176 4.074 0.102 19511 1155 1 4 . 1 1 39 39 GLN CA C 39 56.766 56.766 58.353 -1.587 19511 1156 1 4 . 1 1 39 39 GLN CB C 39 25.985 25.985 28.835 -2.850 19511 1157 1 4 . 1 1 39 39 GLN H H 39 8.017 8.017 7.526 0.491 19511 1158 1 4 . 1 1 40 40 ILE N N 40 121.303 121.303 120.833 0.470 19511 1159 1 4 . 1 1 40 40 ILE HA H 40 3.943 3.943 3.684 0.259 19511 1160 1 4 . 1 1 40 40 ILE CA C 40 62.170 62.170 64.323 -2.153 19511 1161 1 4 . 1 1 40 40 ILE CB C 40 35.984 35.984 37.309 -1.325 19511 1162 1 4 . 1 1 40 40 ILE H H 40 8.290 8.290 7.707 0.583 19511 1163 1 4 . 1 1 41 41 ALA N N 41 121.610 121.610 121.565 0.045 19511 1164 1 4 . 1 1 41 41 ALA HA H 41 3.757 3.757 3.974 -0.217 19511 1165 1 4 . 1 1 41 41 ALA CA C 41 53.812 53.812 54.663 -0.851 19511 1166 1 4 . 1 1 41 41 ALA CB C 41 15.288 15.288 18.237 -2.949 19511 1167 1 4 . 1 1 41 41 ALA H H 41 8.201 8.201 7.889 0.312 19511 1168 1 4 . 1 1 42 42 HIS N N 42 114.498 114.498 113.699 0.799 19511 1169 1 4 . 1 1 42 42 HIS HA H 42 3.751 3.751 4.670 -0.919 19511 1170 1 4 . 1 1 42 42 HIS CA C 42 53.713 53.713 55.154 -1.441 19511 1171 1 4 . 1 1 42 42 HIS CB C 42 25.282 25.282 30.503 -5.221 19511 1172 1 4 . 1 1 42 42 HIS H H 42 8.136 8.136 7.822 0.314 19511 1173 1 4 . 1 1 43 43 ALA N N 43 121.763 121.763 122.261 -0.498 19511 1174 1 4 . 1 1 43 43 ALA HA H 43 4.118 4.118 4.227 -0.109 19511 1175 1 4 . 1 1 43 43 ALA CA C 43 52.521 52.521 54.194 -1.673 19511 1176 1 4 . 1 1 43 43 ALA CB C 43 16.046 16.046 20.020 -3.974 19511 1177 1 4 . 1 1 43 43 ALA H H 43 8.181 8.181 8.004 0.177 19511 1178 1 4 . 1 1 44 44 LEU N N 44 114.063 114.063 118.621 -4.558 19511 1179 1 4 . 1 1 44 44 LEU HA H 44 4.416 4.416 4.305 0.111 19511 1180 1 4 . 1 1 44 44 LEU CA C 44 51.814 51.814 55.570 -3.756 19511 1181 1 4 . 1 1 44 44 LEU CB C 44 40.181 40.181 43.527 -3.346 19511 1182 1 4 . 1 1 44 44 LEU H H 44 8.016 8.016 7.597 0.419 19511 1183 1 4 . 1 1 45 45 LYS N N 45 116.933 116.933 117.637 -0.704 19511 1184 1 4 . 1 1 45 45 LYS HA H 45 4.026 4.026 4.556 -0.530 19511 1185 1 4 . 1 1 45 45 LYS CA C 45 54.887 54.887 56.083 -1.196 19511 1186 1 4 . 1 1 45 45 LYS CB C 45 26.031 26.031 31.989 -5.958 19511 1187 1 4 . 1 1 45 45 LYS H H 45 7.867 7.867 8.203 -0.336 19511 1188 1 4 . 1 1 46 46 LEU N N 46 119.776 119.776 120.024 -0.248 19511 1189 1 4 . 1 1 46 46 LEU HA H 46 4.937 4.937 4.750 0.187 19511 1190 1 4 . 1 1 46 46 LEU CA C 46 49.983 49.983 54.288 -4.305 19511 1191 1 4 . 1 1 46 46 LEU CB C 46 45.389 45.389 43.978 1.411 19511 1192 1 4 . 1 1 46 46 LEU H H 46 8.517 8.517 8.063 0.454 19511 1193 1 4 . 1 1 47 47 SER N N 47 114.945 114.945 113.649 1.296 19511 1194 1 4 . 1 1 47 47 SER HA H 47 4.856 4.856 4.766 0.090 19511 1195 1 4 . 1 1 47 47 SER CA C 47 54.112 54.112 57.404 -3.292 19511 1196 1 4 . 1 1 47 47 SER CB C 47 62.635 62.635 65.102 -2.467 19511 1197 1 4 . 1 1 47 47 SER H H 47 9.225 9.225 8.258 0.967 19511 1198 1 4 . 1 1 48 48 GLU N N 48 122.216 122.216 126.042 -3.826 19511 1199 1 4 . 1 1 48 48 GLU HA H 48 3.778 3.778 3.935 -0.157 19511 1200 1 4 . 1 1 48 48 GLU CA C 48 58.893 58.893 60.022 -1.129 19511 1201 1 4 . 1 1 48 48 GLU CB C 48 27.002 27.002 29.277 -2.275 19511 1202 1 4 . 1 1 48 48 GLU H H 48 9.278 9.278 9.174 0.104 19511 1203 1 4 . 1 1 49 49 VAL N N 49 118.235 118.235 119.601 -1.366 19511 1204 1 4 . 1 1 49 49 VAL HA H 49 3.854 3.854 3.796 0.058 19511 1205 1 4 . 1 1 49 49 VAL CA C 49 63.808 63.808 66.171 -2.364 19511 1206 1 4 . 1 1 49 49 VAL CB C 49 29.556 29.556 30.974 -1.418 19511 1207 1 4 . 1 1 49 49 VAL H H 49 7.993 7.993 8.068 -0.075 19511 1208 1 4 . 1 1 50 50 GLN N N 50 119.879 119.879 118.950 0.929 19511 1209 1 4 . 1 1 50 50 GLN HA H 50 4.296 4.296 4.073 0.223 19511 1210 1 4 . 1 1 50 50 GLN CA C 50 57.495 57.495 58.576 -1.081 19511 1211 1 4 . 1 1 50 50 GLN CB C 50 27.381 27.381 28.350 -0.969 19511 1212 1 4 . 1 1 50 50 GLN H H 50 7.705 7.705 7.661 0.044 19511 1213 1 4 . 1 1 51 51 VAL N N 51 117.905 117.905 119.758 -1.853 19511 1214 1 4 . 1 1 51 51 VAL HA H 51 3.818 3.818 3.625 0.193 19511 1215 1 4 . 1 1 51 51 VAL CA C 51 64.839 64.839 65.958 -1.119 19511 1216 1 4 . 1 1 51 51 VAL CB C 51 29.968 29.968 31.272 -1.304 19511 1217 1 4 . 1 1 51 51 VAL H H 51 7.629 7.629 8.221 -0.592 19511 1218 1 4 . 1 1 52 52 LYS N N 52 120.669 120.669 119.728 0.941 19511 1219 1 4 . 1 1 52 52 LYS HA H 52 4.168 4.168 3.166 1.002 19511 1220 1 4 . 1 1 52 52 LYS CA C 52 57.489 57.489 59.721 -2.232 19511 1221 1 4 . 1 1 52 52 LYS CB C 52 30.473 30.473 32.269 -1.796 19511 1222 1 4 . 1 1 52 52 LYS H H 52 8.802 8.802 7.469 1.333 19511 1223 1 4 . 1 1 53 53 ILE N N 53 120.041 120.041 117.063 2.978 19511 1224 1 4 . 1 1 53 53 ILE HA H 53 3.710 3.710 3.871 -0.161 19511 1225 1 4 . 1 1 53 53 ILE CA C 53 61.549 61.549 64.049 -2.499 19511 1226 1 4 . 1 1 53 53 ILE CB C 53 35.022 35.022 37.643 -2.621 19511 1227 1 4 . 1 1 53 53 ILE H H 53 8.711 8.711 7.410 1.301 19511 1228 1 4 . 1 1 54 54 TRP N N 54 123.292 123.292 122.732 0.560 19511 1229 1 4 . 1 1 54 54 TRP HA H 54 4.731 4.731 4.284 0.447 19511 1230 1 4 . 1 1 54 54 TRP CA C 54 60.105 60.105 61.889 -1.784 19511 1231 1 4 . 1 1 54 54 TRP CB C 54 26.108 26.108 29.342 -3.234 19511 1232 1 4 . 1 1 54 54 TRP H H 54 8.467 8.467 7.503 0.964 19511 1233 1 4 . 1 1 55 55 PHE N N 55 118.279 118.279 116.711 1.568 19511 1234 1 4 . 1 1 55 55 PHE HA H 55 3.801 3.801 4.224 -0.423 19511 1235 1 4 . 1 1 55 55 PHE CA C 55 61.097 61.097 59.453 1.644 19511 1236 1 4 . 1 1 55 55 PHE CB C 55 36.812 36.812 37.686 -0.874 19511 1237 1 4 . 1 1 55 55 PHE H H 55 8.923 8.923 7.545 1.378 19511 1238 1 4 . 1 1 56 56 GLN N N 56 117.830 117.830 119.189 -1.359 19511 1239 1 4 . 1 1 56 56 GLN HA H 56 4.036 4.036 4.026 0.010 19511 1240 1 4 . 1 1 56 56 GLN CA C 56 57.329 57.329 59.264 -1.935 19511 1241 1 4 . 1 1 56 56 GLN CB C 56 25.312 25.312 28.520 -3.208 19511 1242 1 4 . 1 1 56 56 GLN H H 56 7.994 7.994 7.873 0.121 19511 1243 1 4 . 1 1 57 57 ASN N N 57 119.840 119.840 117.133 2.707 19511 1244 1 4 . 1 1 57 57 ASN HA H 57 4.632 4.632 4.322 0.310 19511 1245 1 4 . 1 1 57 57 ASN CA C 57 55.637 55.637 55.792 -0.155 19511 1246 1 4 . 1 1 57 57 ASN CB C 57 35.824 35.824 38.363 -2.539 19511 1247 1 4 . 1 1 57 57 ASN H H 57 8.715 8.715 7.863 0.852 19511 1248 1 4 . 1 1 58 58 ARG N N 58 125.366 125.366 118.502 6.864 19511 1249 1 4 . 1 1 58 58 ARG HA H 58 3.656 3.656 3.913 -0.257 19511 1250 1 4 . 1 1 58 58 ARG CA C 58 53.865 53.865 56.065 -2.200 19511 1251 1 4 . 1 1 58 58 ARG CB C 58 25.436 25.436 29.308 -3.872 19511 1252 1 4 . 1 1 58 58 ARG H H 58 8.806 8.806 7.407 1.399 19511 1253 1 4 . 1 1 59 59 ARG N N 59 120.172 120.172 117.418 2.754 19511 1254 1 4 . 1 1 59 59 ARG CB C 59 29.582 29.582 31.229 -1.647 19511 1255 1 4 . 1 1 59 59 ARG H H 59 8.345 8.345 7.777 0.568 19511 1256 1 4 . 1 1 60 60 ALA N N 60 122.418 122.418 121.378 1.040 19511 1257 1 4 . 1 1 60 60 ALA HA H 60 4.420 4.420 4.419 0.001 19511 1258 1 4 . 1 1 60 60 ALA CA C 60 53.005 53.005 53.154 -0.149 19511 1259 1 4 . 1 1 60 60 ALA CB C 60 15.567 15.567 18.348 -2.781 19511 1260 1 4 . 1 1 60 60 ALA H H 60 7.587 7.587 7.570 0.017 19511 1261 1 4 . 1 1 61 61 LYS N N 61 119.912 119.912 120.352 -0.440 19511 1262 1 4 . 1 1 61 61 LYS HA H 61 4.003 4.003 3.780 0.223 19511 1263 1 4 . 1 1 61 61 LYS CA C 61 57.164 57.164 59.358 -2.194 19511 1264 1 4 . 1 1 61 61 LYS CB C 61 30.390 30.390 31.739 -1.349 19511 1265 1 4 . 1 1 61 61 LYS H H 61 7.856 7.856 7.292 0.564 19511 1266 1 4 . 1 1 62 62 TRP N N 62 119.782 119.782 116.984 2.798 19511 1267 1 4 . 1 1 62 62 TRP HA H 62 4.535 4.535 4.543 -0.008 19511 1268 1 4 . 1 1 62 62 TRP CA C 62 57.359 57.359 58.751 -1.392 19511 1269 1 4 . 1 1 62 62 TRP CB C 62 27.020 27.020 29.268 -2.248 19511 1270 1 4 . 1 1 62 62 TRP H H 62 8.265 8.265 7.436 0.829 19511 1271 1 4 . 1 1 63 63 LYS N N 63 117.139 117.139 119.941 -2.802 19511 1272 1 4 . 1 1 63 63 LYS HA H 63 3.713 3.713 4.038 -0.325 19511 1273 1 4 . 1 1 63 63 LYS CA C 63 56.518 56.518 59.452 -2.933 19511 1274 1 4 . 1 1 63 63 LYS CB C 63 30.224 30.224 32.010 -1.786 19511 1275 1 4 . 1 1 63 63 LYS H H 63 8.262 8.262 8.154 0.108 19511 1276 1 4 . 1 1 64 64 ARG N N 64 118.868 118.868 116.476 2.392 19511 1277 1 4 . 1 1 64 64 ARG HA H 64 4.192 4.192 4.106 0.086 19511 1278 1 4 . 1 1 64 64 ARG CA C 64 56.249 56.249 58.358 -2.109 19511 1279 1 4 . 1 1 64 64 ARG CB C 64 28.227 28.227 30.068 -1.841 19511 1280 1 4 . 1 1 64 64 ARG H H 64 7.737 7.737 7.615 0.122 19511 1281 1 4 . 1 1 65 65 ILE N N 65 119.744 119.744 116.970 2.774 19511 1282 1 4 . 1 1 65 65 ILE HA H 65 4.012 4.012 4.209 -0.197 19511 1283 1 4 . 1 1 65 65 ILE CA C 65 60.187 60.187 62.282 -2.095 19511 1284 1 4 . 1 1 65 65 ILE CB C 65 35.588 35.588 38.778 -3.190 19511 1285 1 4 . 1 1 65 65 ILE H H 65 8.010 8.010 7.861 0.149 19511 1286 1 4 . 1 1 66 66 LYS N N 66 122.316 122.316 118.564 3.752 19511 1287 1 4 . 1 1 66 66 LYS HA H 66 4.106 4.106 4.283 -0.177 19511 1288 1 4 . 1 1 66 66 LYS CA C 66 54.657 54.657 56.379 -1.722 19511 1289 1 4 . 1 1 66 66 LYS CB C 66 29.634 29.634 33.511 -3.877 19511 1290 1 4 . 1 1 66 66 LYS H H 66 8.055 8.055 8.159 -0.104 19511 1291 1 4 . 1 1 67 67 ALA N N 67 122.520 122.520 122.313 0.207 19511 1292 1 4 . 1 1 67 67 ALA HA H 67 4.291 4.291 4.637 -0.346 19511 1293 1 4 . 1 1 67 67 ALA CA C 67 50.463 50.463 51.282 -0.819 19511 1294 1 4 . 1 1 67 67 ALA CB C 67 16.535 16.535 19.187 -2.652 19511 1295 1 4 . 1 1 67 67 ALA H H 67 7.846 7.846 7.738 0.108 19511 1296 1 4 . 1 1 68 68 GLY N N 68 106.371 106.371 109.216 -2.845 19511 1297 1 4 . 1 1 68 68 GLY CA C 68 42.991 42.991 45.032 -2.041 19511 1298 1 4 . 1 1 68 68 GLY H H 68 8.053 8.053 8.610 -0.557 19511 1299 1 4 . 1 1 69 69 ASN N N 69 118.766 118.766 116.075 2.691 19511 1300 1 4 . 1 1 69 69 ASN HA H 69 4.832 4.832 4.688 0.144 19511 1301 1 4 . 1 1 69 69 ASN CA C 69 50.749 50.749 52.777 -2.028 19511 1302 1 4 . 1 1 69 69 ASN CB C 69 36.737 36.737 40.662 -3.925 19511 1303 1 4 . 1 1 69 69 ASN H H 69 8.166 8.166 8.197 -0.031 19511 1304 1 4 . 1 1 70 70 VAL N N 70 119.471 119.471 121.974 -2.503 19511 1305 1 4 . 1 1 70 70 VAL HA H 70 4.265 4.265 4.135 0.130 19511 1306 1 4 . 1 1 70 70 VAL CA C 70 59.765 59.765 63.112 -3.347 19511 1307 1 4 . 1 1 70 70 VAL CB C 70 30.482 30.482 32.266 -1.784 19511 1308 1 4 . 1 1 70 70 VAL H H 70 8.087 8.087 8.352 -0.265 19511 1309 1 5 . 1 1 3 3 PRO HA H 3 4.499 4.499 4.339 0.160 19511 1310 1 5 . 1 1 3 3 PRO CA C 3 61.077 61.077 63.330 -2.253 19511 1311 1 5 . 1 1 3 3 PRO CB C 3 29.635 29.635 32.778 -3.143 19511 1312 1 5 . 1 1 4 4 GLY N N 4 109.482 109.482 105.689 3.793 19511 1313 1 5 . 1 1 4 4 GLY CA C 4 42.963 42.963 44.751 -1.788 19511 1314 1 5 . 1 1 4 4 GLY H H 4 8.521 8.521 7.854 0.667 19511 1315 1 5 . 1 1 5 5 GLY N N 5 108.605 108.605 108.813 -0.208 19511 1316 1 5 . 1 1 5 5 GLY CA C 5 42.869 42.869 45.627 -2.757 19511 1317 1 5 . 1 1 5 5 GLY H H 5 8.245 8.245 8.423 -0.178 19511 1318 1 5 . 1 1 6 6 LYS N N 6 120.900 120.900 119.381 1.519 19511 1319 1 5 . 1 1 6 6 LYS HA H 6 4.454 4.454 4.497 -0.043 19511 1320 1 5 . 1 1 6 6 LYS CA C 6 53.594 53.594 54.784 -1.190 19511 1321 1 5 . 1 1 6 6 LYS CB C 6 31.034 31.034 34.390 -3.356 19511 1322 1 5 . 1 1 6 6 LYS H H 6 8.201 8.201 7.881 0.320 19511 1323 1 5 . 1 1 7 7 SER N N 7 118.055 118.055 118.760 -0.705 19511 1324 1 5 . 1 1 7 7 SER HA H 7 4.533 4.533 4.391 0.142 19511 1325 1 5 . 1 1 7 7 SER CA C 7 55.637 55.637 58.724 -3.087 19511 1326 1 5 . 1 1 7 7 SER CB C 7 61.343 61.343 62.977 -1.634 19511 1327 1 5 . 1 1 7 7 SER H H 7 8.425 8.425 8.563 -0.138 19511 1328 1 5 . 1 1 8 8 ARG HA H 8 4.547 4.547 4.463 0.084 19511 1329 1 5 . 1 1 8 8 ARG CA C 8 53.146 53.146 55.502 -2.356 19511 1330 1 5 . 1 1 8 8 ARG CB C 8 29.317 29.317 31.240 -1.923 19511 1331 1 5 . 1 1 9 9 ARG N N 9 124.954 124.954 121.359 3.595 19511 1332 1 5 . 1 1 9 9 ARG HA H 9 4.321 4.321 4.473 -0.152 19511 1333 1 5 . 1 1 9 9 ARG CA C 9 54.049 54.049 55.257 -1.208 19511 1334 1 5 . 1 1 9 9 ARG CB C 9 28.705 28.705 31.685 -2.980 19511 1335 1 5 . 1 1 9 9 ARG H H 9 9.037 9.037 8.526 0.511 19511 1336 1 5 . 1 1 10 10 ARG N N 10 122.493 122.493 125.088 -2.595 19511 1337 1 5 . 1 1 10 10 ARG HA H 10 4.322 4.322 4.267 0.055 19511 1338 1 5 . 1 1 10 10 ARG CA C 10 53.971 53.971 56.526 -2.555 19511 1339 1 5 . 1 1 10 10 ARG CB C 10 28.386 28.386 29.157 -0.771 19511 1340 1 5 . 1 1 10 10 ARG H H 10 8.350 8.350 8.665 -0.315 19511 1341 1 5 . 1 1 11 11 ARG N N 11 123.361 123.361 122.455 0.906 19511 1342 1 5 . 1 1 11 11 ARG HA H 11 4.312 4.312 4.438 -0.126 19511 1343 1 5 . 1 1 11 11 ARG CA C 11 53.146 53.146 55.876 -2.730 19511 1344 1 5 . 1 1 11 11 ARG CB C 11 30.162 30.162 31.353 -1.191 19511 1345 1 5 . 1 1 11 11 ARG H H 11 8.508 8.508 8.173 0.335 19511 1346 1 5 . 1 1 12 12 THR N N 12 126.287 126.287 114.495 11.792 19511 1347 1 5 . 1 1 12 12 THR HA H 12 3.790 3.790 4.396 -0.606 19511 1348 1 5 . 1 1 12 12 THR CA C 12 62.948 62.948 61.010 1.938 19511 1349 1 5 . 1 1 12 12 THR CB C 12 66.854 66.854 71.389 -4.535 19511 1350 1 5 . 1 1 12 12 THR H H 12 8.068 8.068 7.562 0.506 19511 1351 1 5 . 1 1 13 13 ALA N N 13 129.745 129.745 127.306 2.439 19511 1352 1 5 . 1 1 13 13 ALA HA H 13 4.664 4.664 4.596 0.068 19511 1353 1 5 . 1 1 13 13 ALA CA C 13 47.602 47.602 51.055 -3.453 19511 1354 1 5 . 1 1 13 13 ALA CB C 13 16.412 16.412 18.230 -1.818 19511 1355 1 5 . 1 1 13 13 ALA H H 13 8.317 8.317 8.179 0.138 19511 1356 1 5 . 1 1 14 14 PHE N N 14 124.589 124.589 118.282 6.307 19511 1357 1 5 . 1 1 14 14 PHE HA H 14 4.708 4.708 4.745 -0.037 19511 1358 1 5 . 1 1 14 14 PHE CA C 14 56.288 56.288 54.944 1.344 19511 1359 1 5 . 1 1 14 14 PHE CB C 14 38.229 38.229 40.983 -2.753 19511 1360 1 5 . 1 1 14 14 PHE H H 14 8.594 8.594 7.277 1.317 19511 1361 1 5 . 1 1 15 15 THR N N 15 113.746 113.746 110.900 2.846 19511 1362 1 5 . 1 1 15 15 THR HA H 15 4.575 4.575 4.722 -0.147 19511 1363 1 5 . 1 1 15 15 THR CA C 15 58.027 58.027 60.026 -1.999 19511 1364 1 5 . 1 1 15 15 THR CB C 15 68.256 68.256 71.083 -2.827 19511 1365 1 5 . 1 1 15 15 THR H H 15 9.053 9.053 8.069 0.984 19511 1366 1 5 . 1 1 16 16 SER N N 16 116.624 116.624 115.596 1.028 19511 1367 1 5 . 1 1 16 16 SER HA H 16 4.713 4.713 4.242 0.471 19511 1368 1 5 . 1 1 16 16 SER CA C 16 59.750 59.750 60.474 -0.724 19511 1369 1 5 . 1 1 16 16 SER CB C 16 59.639 59.639 63.171 -3.532 19511 1370 1 5 . 1 1 16 16 SER H H 16 9.092 9.092 8.610 0.482 19511 1371 1 5 . 1 1 17 17 GLU N N 17 120.287 120.287 120.870 -0.583 19511 1372 1 5 . 1 1 17 17 GLU HA H 17 4.081 4.081 4.066 0.015 19511 1373 1 5 . 1 1 17 17 GLU CA C 17 57.565 57.565 58.876 -1.311 19511 1374 1 5 . 1 1 17 17 GLU CB C 17 26.998 26.998 29.703 -2.705 19511 1375 1 5 . 1 1 17 17 GLU H H 17 8.560 8.560 8.115 0.445 19511 1376 1 5 . 1 1 18 18 GLN N N 18 118.169 118.169 118.864 -0.695 19511 1377 1 5 . 1 1 18 18 GLN HA H 18 3.898 3.898 3.988 -0.090 19511 1378 1 5 . 1 1 18 18 GLN CA C 18 56.609 56.609 58.338 -1.729 19511 1379 1 5 . 1 1 18 18 GLN CB C 18 32.647 32.647 28.674 3.973 19511 1380 1 5 . 1 1 18 18 GLN H H 18 7.769 7.769 7.641 0.128 19511 1381 1 5 . 1 1 19 19 LEU N N 19 116.929 116.929 118.454 -1.525 19511 1382 1 5 . 1 1 19 19 LEU HA H 19 3.655 3.655 4.076 -0.421 19511 1383 1 5 . 1 1 19 19 LEU CA C 19 55.390 55.390 55.173 0.217 19511 1384 1 5 . 1 1 19 19 LEU CB C 19 39.414 39.414 40.431 -1.017 19511 1385 1 5 . 1 1 19 19 LEU H H 19 8.227 8.227 7.487 0.740 19511 1386 1 5 . 1 1 20 20 LEU N N 20 118.864 118.864 118.748 0.116 19511 1387 1 5 . 1 1 20 20 LEU HA H 20 4.034 4.034 4.070 -0.036 19511 1388 1 5 . 1 1 20 20 LEU CA C 20 55.765 55.765 57.831 -2.066 19511 1389 1 5 . 1 1 20 20 LEU CB C 20 39.758 39.758 42.495 -2.737 19511 1390 1 5 . 1 1 20 20 LEU H H 20 8.037 8.037 7.748 0.289 19511 1391 1 5 . 1 1 21 21 GLU N N 21 118.147 118.147 118.116 0.031 19511 1392 1 5 . 1 1 21 21 GLU HA H 21 4.159 4.159 4.018 0.141 19511 1393 1 5 . 1 1 21 21 GLU CA C 21 56.062 56.062 59.113 -3.051 19511 1394 1 5 . 1 1 21 21 GLU CB C 21 27.576 27.576 29.241 -1.665 19511 1395 1 5 . 1 1 21 21 GLU H H 21 7.491 7.491 7.824 -0.333 19511 1396 1 5 . 1 1 22 22 LEU N N 22 122.316 122.316 118.047 4.269 19511 1397 1 5 . 1 1 22 22 LEU HA H 22 3.534 3.534 3.903 -0.369 19511 1398 1 5 . 1 1 22 22 LEU CA C 22 56.091 56.091 56.965 -0.875 19511 1399 1 5 . 1 1 22 22 LEU CB C 22 35.557 35.557 41.568 -6.011 19511 1400 1 5 . 1 1 22 22 LEU H H 22 8.254 8.254 7.369 0.885 19511 1401 1 5 . 1 1 23 23 GLU N N 23 117.645 117.645 116.683 0.962 19511 1402 1 5 . 1 1 23 23 GLU HA H 23 4.319 4.319 4.391 -0.072 19511 1403 1 5 . 1 1 23 23 GLU CA C 23 56.627 56.627 58.182 -1.555 19511 1404 1 5 . 1 1 23 23 GLU CB C 23 26.800 26.800 29.904 -3.104 19511 1405 1 5 . 1 1 23 23 GLU H H 23 8.084 8.084 7.492 0.592 19511 1406 1 5 . 1 1 24 24 LYS N N 24 120.989 120.989 122.510 -1.521 19511 1407 1 5 . 1 1 24 24 LYS HA H 24 4.088 4.088 4.152 -0.064 19511 1408 1 5 . 1 1 24 24 LYS CA C 24 57.392 57.392 59.741 -2.349 19511 1409 1 5 . 1 1 24 24 LYS H H 24 7.884 7.884 8.231 -0.347 19511 1410 1 5 . 1 1 25 25 GLU N N 25 119.686 119.686 117.530 2.156 19511 1411 1 5 . 1 1 25 25 GLU HA H 25 4.325 4.325 4.197 0.128 19511 1412 1 5 . 1 1 25 25 GLU CA C 25 56.529 56.529 57.740 -1.211 19511 1413 1 5 . 1 1 25 25 GLU CB C 25 26.344 26.344 29.458 -3.114 19511 1414 1 5 . 1 1 25 25 GLU H H 25 8.179 8.179 8.325 -0.146 19511 1415 1 5 . 1 1 26 26 PHE N N 26 121.229 121.229 114.362 6.867 19511 1416 1 5 . 1 1 26 26 PHE HA H 26 4.769 4.769 4.926 -0.157 19511 1417 1 5 . 1 1 26 26 PHE CA C 26 57.746 57.746 58.355 -0.609 19511 1418 1 5 . 1 1 26 26 PHE CB C 26 41.554 41.554 40.561 0.993 19511 1419 1 5 . 1 1 26 26 PHE H H 26 8.896 8.896 7.524 1.372 19511 1420 1 5 . 1 1 27 27 HIS N N 27 115.789 115.789 120.092 -4.303 19511 1421 1 5 . 1 1 27 27 HIS HA H 27 4.069 4.069 4.747 -0.678 19511 1422 1 5 . 1 1 27 27 HIS CA C 27 56.598 56.598 58.431 -1.833 19511 1423 1 5 . 1 1 27 27 HIS CB C 27 27.235 27.235 31.309 -4.074 19511 1424 1 5 . 1 1 27 27 HIS H H 27 8.110 8.110 8.376 -0.266 19511 1425 1 5 . 1 1 28 28 CYS N N 28 115.311 115.311 117.980 -2.669 19511 1426 1 5 . 1 1 28 28 CYS HA H 28 4.553 4.553 4.074 0.479 19511 1427 1 5 . 1 1 28 28 CYS CA C 28 54.270 54.270 60.214 -5.944 19511 1428 1 5 . 1 1 28 28 CYS CB C 28 39.551 39.551 27.532 12.019 19511 1429 1 5 . 1 1 28 28 CYS H H 28 7.470 7.470 7.970 -0.500 19511 1430 1 5 . 1 1 29 29 LYS N N 29 122.013 122.013 115.284 6.729 19511 1431 1 5 . 1 1 29 29 LYS HA H 29 4.412 4.412 4.289 0.123 19511 1432 1 5 . 1 1 29 29 LYS CA C 29 53.840 53.840 55.191 -1.351 19511 1433 1 5 . 1 1 29 29 LYS CB C 29 32.448 32.448 34.045 -1.597 19511 1434 1 5 . 1 1 29 29 LYS H H 29 8.648 8.648 7.182 1.466 19511 1435 1 5 . 1 1 30 30 LYS N N 30 117.519 117.519 119.134 -1.615 19511 1436 1 5 . 1 1 30 30 LYS HA H 30 3.837 3.837 4.294 -0.457 19511 1437 1 5 . 1 1 30 30 LYS CA C 30 53.748 53.748 55.797 -2.049 19511 1438 1 5 . 1 1 30 30 LYS CB C 30 30.195 30.195 33.059 -2.864 19511 1439 1 5 . 1 1 30 30 LYS H H 30 7.887 7.887 7.966 -0.079 19511 1440 1 5 . 1 1 31 31 TYR N N 31 112.770 112.770 114.577 -1.807 19511 1441 1 5 . 1 1 31 31 TYR HA H 31 4.591 4.591 4.529 0.062 19511 1442 1 5 . 1 1 31 31 TYR CA C 31 53.415 53.415 55.463 -2.048 19511 1443 1 5 . 1 1 31 31 TYR CB C 31 39.905 39.905 38.721 1.184 19511 1444 1 5 . 1 1 31 31 TYR H H 31 7.368 7.368 6.967 0.401 19511 1445 1 5 . 1 1 32 32 LEU N N 32 120.286 120.286 125.901 -5.615 19511 1446 1 5 . 1 1 32 32 LEU HA H 32 4.766 4.766 4.382 0.384 19511 1447 1 5 . 1 1 32 32 LEU CA C 32 50.290 50.290 54.407 -4.117 19511 1448 1 5 . 1 1 32 32 LEU CB C 32 42.846 42.846 41.732 1.114 19511 1449 1 5 . 1 1 32 32 LEU H H 32 8.442 8.442 8.360 0.082 19511 1450 1 5 . 1 1 33 33 SER N N 33 120.490 120.490 121.588 -1.098 19511 1451 1 5 . 1 1 33 33 SER HA H 33 4.045 4.045 4.470 -0.425 19511 1452 1 5 . 1 1 33 33 SER CA C 33 54.957 54.957 58.217 -3.260 19511 1453 1 5 . 1 1 33 33 SER CB C 33 63.875 63.875 62.895 0.980 19511 1454 1 5 . 1 1 33 33 SER H H 33 9.439 9.439 8.679 0.760 19511 1455 1 5 . 1 1 34 34 LEU N N 34 121.725 121.725 126.789 -5.064 19511 1456 1 5 . 1 1 34 34 LEU HA H 34 4.059 4.059 3.940 0.119 19511 1457 1 5 . 1 1 34 34 LEU CA C 34 56.683 56.683 58.357 -1.674 19511 1458 1 5 . 1 1 34 34 LEU CB C 34 38.920 38.920 40.050 -1.130 19511 1459 1 5 . 1 1 34 34 LEU H H 34 8.886 8.886 8.572 0.314 19511 1460 1 5 . 1 1 35 35 THR N N 35 113.779 113.779 115.297 -1.518 19511 1461 1 5 . 1 1 35 35 THR HA H 35 4.047 4.047 3.970 0.077 19511 1462 1 5 . 1 1 35 35 THR CA C 35 63.322 63.322 66.010 -2.688 19511 1463 1 5 . 1 1 35 35 THR CB C 35 65.973 65.973 68.670 -2.697 19511 1464 1 5 . 1 1 35 35 THR H H 35 8.142 8.142 8.117 0.025 19511 1465 1 5 . 1 1 36 36 GLU N N 36 122.728 122.728 118.120 4.608 19511 1466 1 5 . 1 1 36 36 GLU HA H 36 4.036 4.036 4.069 -0.033 19511 1467 1 5 . 1 1 36 36 GLU CA C 36 56.454 56.454 58.896 -2.442 19511 1468 1 5 . 1 1 36 36 GLU CB C 36 27.949 27.949 28.970 -1.021 19511 1469 1 5 . 1 1 36 36 GLU H H 36 7.658 7.658 7.757 -0.099 19511 1470 1 5 . 1 1 37 37 ARG N N 37 118.862 118.862 120.524 -1.662 19511 1471 1 5 . 1 1 37 37 ARG HA H 37 3.842 3.842 4.300 -0.458 19511 1472 1 5 . 1 1 37 37 ARG CA C 37 57.537 57.537 58.860 -1.323 19511 1473 1 5 . 1 1 37 37 ARG CB C 37 28.496 28.496 30.417 -1.921 19511 1474 1 5 . 1 1 37 37 ARG H H 37 8.762 8.762 7.960 0.802 19511 1475 1 5 . 1 1 38 38 SER N N 38 113.126 113.126 115.587 -2.461 19511 1476 1 5 . 1 1 38 38 SER HA H 38 4.039 4.039 4.390 -0.351 19511 1477 1 5 . 1 1 38 38 SER CA C 38 60.349 60.349 61.579 -1.230 19511 1478 1 5 . 1 1 38 38 SER CB C 38 65.383 65.383 62.650 2.733 19511 1479 1 5 . 1 1 38 38 SER H H 38 7.989 7.989 8.014 -0.025 19511 1480 1 5 . 1 1 39 39 GLN N N 39 121.461 121.461 121.251 0.210 19511 1481 1 5 . 1 1 39 39 GLN HA H 39 4.176 4.176 3.891 0.285 19511 1482 1 5 . 1 1 39 39 GLN CA C 39 56.766 56.766 59.109 -2.343 19511 1483 1 5 . 1 1 39 39 GLN CB C 39 25.985 25.985 28.608 -2.623 19511 1484 1 5 . 1 1 39 39 GLN H H 39 8.017 8.017 7.914 0.103 19511 1485 1 5 . 1 1 40 40 ILE N N 40 121.303 121.303 119.317 1.986 19511 1486 1 5 . 1 1 40 40 ILE HA H 40 3.943 3.943 3.574 0.369 19511 1487 1 5 . 1 1 40 40 ILE CA C 40 62.170 62.170 63.939 -1.769 19511 1488 1 5 . 1 1 40 40 ILE CB C 40 35.984 35.984 37.470 -1.486 19511 1489 1 5 . 1 1 40 40 ILE H H 40 8.290 8.290 7.895 0.395 19511 1490 1 5 . 1 1 41 41 ALA N N 41 121.610 121.610 119.444 2.166 19511 1491 1 5 . 1 1 41 41 ALA HA H 41 3.757 3.757 4.017 -0.260 19511 1492 1 5 . 1 1 41 41 ALA CA C 41 53.812 53.812 54.198 -0.386 19511 1493 1 5 . 1 1 41 41 ALA CB C 41 15.288 15.288 18.034 -2.746 19511 1494 1 5 . 1 1 41 41 ALA H H 41 8.201 8.201 7.636 0.565 19511 1495 1 5 . 1 1 42 42 HIS N N 42 114.498 114.498 109.516 4.982 19511 1496 1 5 . 1 1 42 42 HIS HA H 42 3.751 3.751 4.769 -1.018 19511 1497 1 5 . 1 1 42 42 HIS CA C 42 53.713 53.713 55.624 -1.911 19511 1498 1 5 . 1 1 42 42 HIS CB C 42 25.282 25.282 31.240 -5.958 19511 1499 1 5 . 1 1 42 42 HIS H H 42 8.136 8.136 7.737 0.399 19511 1500 1 5 . 1 1 43 43 ALA N N 43 121.763 121.763 122.730 -0.967 19511 1501 1 5 . 1 1 43 43 ALA HA H 43 4.118 4.118 4.209 -0.091 19511 1502 1 5 . 1 1 43 43 ALA CA C 43 52.521 52.521 53.587 -1.066 19511 1503 1 5 . 1 1 43 43 ALA CB C 43 16.046 16.046 19.690 -3.644 19511 1504 1 5 . 1 1 43 43 ALA H H 43 8.181 8.181 7.498 0.683 19511 1505 1 5 . 1 1 44 44 LEU N N 44 114.063 114.063 118.009 -3.946 19511 1506 1 5 . 1 1 44 44 LEU HA H 44 4.416 4.416 4.247 0.169 19511 1507 1 5 . 1 1 44 44 LEU CA C 44 51.814 51.814 55.553 -3.740 19511 1508 1 5 . 1 1 44 44 LEU CB C 44 40.181 40.181 43.778 -3.597 19511 1509 1 5 . 1 1 44 44 LEU H H 44 8.016 8.016 7.604 0.412 19511 1510 1 5 . 1 1 45 45 LYS N N 45 116.933 116.933 116.138 0.795 19511 1511 1 5 . 1 1 45 45 LYS HA H 45 4.026 4.026 4.441 -0.415 19511 1512 1 5 . 1 1 45 45 LYS CA C 45 54.887 54.887 56.366 -1.479 19511 1513 1 5 . 1 1 45 45 LYS CB C 45 26.031 26.031 32.145 -6.114 19511 1514 1 5 . 1 1 45 45 LYS H H 45 7.867 7.867 8.240 -0.373 19511 1515 1 5 . 1 1 46 46 LEU N N 46 119.776 119.776 119.301 0.475 19511 1516 1 5 . 1 1 46 46 LEU HA H 46 4.937 4.937 4.772 0.165 19511 1517 1 5 . 1 1 46 46 LEU CA C 46 49.983 49.983 54.154 -4.171 19511 1518 1 5 . 1 1 46 46 LEU CB C 46 45.389 45.389 44.816 0.573 19511 1519 1 5 . 1 1 46 46 LEU H H 46 8.517 8.517 8.112 0.405 19511 1520 1 5 . 1 1 47 47 SER N N 47 114.945 114.945 113.212 1.733 19511 1521 1 5 . 1 1 47 47 SER HA H 47 4.856 4.856 4.827 0.029 19511 1522 1 5 . 1 1 47 47 SER CA C 47 54.112 54.112 56.057 -1.945 19511 1523 1 5 . 1 1 47 47 SER CB C 47 62.635 62.635 64.758 -2.123 19511 1524 1 5 . 1 1 47 47 SER H H 47 9.225 9.225 8.300 0.925 19511 1525 1 5 . 1 1 48 48 GLU N N 48 122.216 122.216 128.168 -5.952 19511 1526 1 5 . 1 1 48 48 GLU HA H 48 3.778 3.778 4.014 -0.236 19511 1527 1 5 . 1 1 48 48 GLU CA C 48 58.893 58.893 59.898 -1.005 19511 1528 1 5 . 1 1 48 48 GLU CB C 48 27.002 27.002 29.702 -2.700 19511 1529 1 5 . 1 1 48 48 GLU H H 48 9.278 9.278 9.177 0.101 19511 1530 1 5 . 1 1 49 49 VAL N N 49 118.235 118.235 119.439 -1.204 19511 1531 1 5 . 1 1 49 49 VAL HA H 49 3.854 3.854 3.753 0.101 19511 1532 1 5 . 1 1 49 49 VAL CA C 49 63.808 63.808 65.581 -1.773 19511 1533 1 5 . 1 1 49 49 VAL CB C 49 29.556 29.556 31.808 -2.252 19511 1534 1 5 . 1 1 49 49 VAL H H 49 7.993 7.993 7.899 0.094 19511 1535 1 5 . 1 1 50 50 GLN N N 50 119.879 119.879 117.800 2.079 19511 1536 1 5 . 1 1 50 50 GLN HA H 50 4.296 4.296 4.213 0.083 19511 1537 1 5 . 1 1 50 50 GLN CA C 50 57.495 57.495 58.143 -0.648 19511 1538 1 5 . 1 1 50 50 GLN CB C 50 27.381 27.381 28.880 -1.499 19511 1539 1 5 . 1 1 50 50 GLN H H 50 7.705 7.705 7.716 -0.011 19511 1540 1 5 . 1 1 51 51 VAL N N 51 117.905 117.905 120.811 -2.906 19511 1541 1 5 . 1 1 51 51 VAL HA H 51 3.818 3.818 3.646 0.172 19511 1542 1 5 . 1 1 51 51 VAL CA C 51 64.839 64.839 66.338 -1.498 19511 1543 1 5 . 1 1 51 51 VAL CB C 51 29.968 29.968 31.442 -1.474 19511 1544 1 5 . 1 1 51 51 VAL H H 51 7.629 7.629 8.136 -0.507 19511 1545 1 5 . 1 1 52 52 LYS N N 52 120.669 120.669 120.654 0.015 19511 1546 1 5 . 1 1 52 52 LYS HA H 52 4.168 4.168 4.370 -0.202 19511 1547 1 5 . 1 1 52 52 LYS CA C 52 57.489 57.489 59.605 -2.116 19511 1548 1 5 . 1 1 52 52 LYS CB C 52 30.473 30.473 32.122 -1.649 19511 1549 1 5 . 1 1 52 52 LYS H H 52 8.802 8.802 8.332 0.470 19511 1550 1 5 . 1 1 53 53 ILE N N 53 120.041 120.041 118.847 1.194 19511 1551 1 5 . 1 1 53 53 ILE HA H 53 3.710 3.710 4.012 -0.302 19511 1552 1 5 . 1 1 53 53 ILE CA C 53 61.549 61.549 63.630 -2.081 19511 1553 1 5 . 1 1 53 53 ILE CB C 53 35.022 35.022 37.842 -2.820 19511 1554 1 5 . 1 1 53 53 ILE H H 53 8.711 8.711 7.428 1.283 19511 1555 1 5 . 1 1 54 54 TRP N N 54 123.292 123.292 123.290 0.002 19511 1556 1 5 . 1 1 54 54 TRP HA H 54 4.731 4.731 4.199 0.532 19511 1557 1 5 . 1 1 54 54 TRP CA C 54 60.105 60.105 61.887 -1.782 19511 1558 1 5 . 1 1 54 54 TRP CB C 54 26.108 26.108 29.172 -3.064 19511 1559 1 5 . 1 1 54 54 TRP H H 54 8.467 8.467 7.888 0.579 19511 1560 1 5 . 1 1 55 55 PHE N N 55 118.279 118.279 116.919 1.360 19511 1561 1 5 . 1 1 55 55 PHE HA H 55 3.801 3.801 4.218 -0.417 19511 1562 1 5 . 1 1 55 55 PHE CA C 55 61.097 61.097 60.783 0.314 19511 1563 1 5 . 1 1 55 55 PHE CB C 55 36.812 36.812 37.989 -1.177 19511 1564 1 5 . 1 1 55 55 PHE H H 55 8.923 8.923 7.309 1.614 19511 1565 1 5 . 1 1 56 56 GLN N N 56 117.830 117.830 118.374 -0.544 19511 1566 1 5 . 1 1 56 56 GLN HA H 56 4.036 4.036 4.090 -0.054 19511 1567 1 5 . 1 1 56 56 GLN CA C 56 57.329 57.329 59.203 -1.874 19511 1568 1 5 . 1 1 56 56 GLN CB C 56 25.312 25.312 28.421 -3.109 19511 1569 1 5 . 1 1 56 56 GLN H H 56 7.994 7.994 7.844 0.150 19511 1570 1 5 . 1 1 57 57 ASN N N 57 119.840 119.840 117.482 2.358 19511 1571 1 5 . 1 1 57 57 ASN HA H 57 4.632 4.632 4.543 0.089 19511 1572 1 5 . 1 1 57 57 ASN CA C 57 55.637 55.637 56.031 -0.393 19511 1573 1 5 . 1 1 57 57 ASN CB C 57 35.824 35.824 38.655 -2.831 19511 1574 1 5 . 1 1 57 57 ASN H H 57 8.715 8.715 7.704 1.011 19511 1575 1 5 . 1 1 58 58 ARG N N 58 125.366 125.366 120.033 5.333 19511 1576 1 5 . 1 1 58 58 ARG HA H 58 3.656 3.656 4.000 -0.344 19511 1577 1 5 . 1 1 58 58 ARG CA C 58 53.865 53.865 57.621 -3.756 19511 1578 1 5 . 1 1 58 58 ARG CB C 58 25.436 25.436 29.688 -4.252 19511 1579 1 5 . 1 1 58 58 ARG H H 58 8.806 8.806 8.109 0.697 19511 1580 1 5 . 1 1 59 59 ARG N N 59 120.172 120.172 117.165 3.007 19511 1581 1 5 . 1 1 59 59 ARG CB C 59 29.582 29.582 30.750 -1.168 19511 1582 1 5 . 1 1 59 59 ARG H H 59 8.345 8.345 7.726 0.619 19511 1583 1 5 . 1 1 60 60 ALA N N 60 122.418 122.418 121.896 0.522 19511 1584 1 5 . 1 1 60 60 ALA HA H 60 4.420 4.420 4.496 -0.076 19511 1585 1 5 . 1 1 60 60 ALA CA C 60 53.005 53.005 53.181 -0.176 19511 1586 1 5 . 1 1 60 60 ALA CB C 60 15.567 15.567 18.934 -3.367 19511 1587 1 5 . 1 1 60 60 ALA H H 60 7.587 7.587 7.825 -0.238 19511 1588 1 5 . 1 1 61 61 LYS N N 61 119.912 119.912 119.844 0.068 19511 1589 1 5 . 1 1 61 61 LYS HA H 61 4.003 4.003 3.785 0.218 19511 1590 1 5 . 1 1 61 61 LYS CA C 61 57.164 57.164 59.587 -2.423 19511 1591 1 5 . 1 1 61 61 LYS CB C 61 30.390 30.390 31.780 -1.390 19511 1592 1 5 . 1 1 61 61 LYS H H 61 7.856 7.856 8.267 -0.411 19511 1593 1 5 . 1 1 62 62 TRP N N 62 119.782 119.782 117.080 2.702 19511 1594 1 5 . 1 1 62 62 TRP HA H 62 4.535 4.535 4.512 0.023 19511 1595 1 5 . 1 1 62 62 TRP CA C 62 57.359 57.359 59.405 -2.046 19511 1596 1 5 . 1 1 62 62 TRP CB C 62 27.020 27.020 29.015 -1.995 19511 1597 1 5 . 1 1 62 62 TRP H H 62 8.265 8.265 7.504 0.761 19511 1598 1 5 . 1 1 63 63 LYS N N 63 117.139 117.139 120.418 -3.279 19511 1599 1 5 . 1 1 63 63 LYS HA H 63 3.713 3.713 4.014 -0.301 19511 1600 1 5 . 1 1 63 63 LYS CA C 63 56.518 56.518 59.554 -3.036 19511 1601 1 5 . 1 1 63 63 LYS CB C 63 30.224 30.224 32.155 -1.931 19511 1602 1 5 . 1 1 63 63 LYS H H 63 8.262 8.262 8.281 -0.019 19511 1603 1 5 . 1 1 64 64 ARG N N 64 118.868 118.868 116.797 2.071 19511 1604 1 5 . 1 1 64 64 ARG HA H 64 4.192 4.192 4.136 0.056 19511 1605 1 5 . 1 1 64 64 ARG CA C 64 56.249 56.249 58.288 -2.039 19511 1606 1 5 . 1 1 64 64 ARG CB C 64 28.227 28.227 29.597 -1.370 19511 1607 1 5 . 1 1 64 64 ARG H H 64 7.737 7.737 8.081 -0.344 19511 1608 1 5 . 1 1 65 65 ILE N N 65 119.744 119.744 119.461 0.283 19511 1609 1 5 . 1 1 65 65 ILE HA H 65 4.012 4.012 4.023 -0.011 19511 1610 1 5 . 1 1 65 65 ILE CA C 65 60.187 60.187 63.293 -3.106 19511 1611 1 5 . 1 1 65 65 ILE CB C 65 35.588 35.588 38.504 -2.916 19511 1612 1 5 . 1 1 65 65 ILE H H 65 8.010 8.010 7.471 0.539 19511 1613 1 5 . 1 1 66 66 LYS N N 66 122.316 122.316 121.822 0.494 19511 1614 1 5 . 1 1 66 66 LYS HA H 66 4.106 4.106 4.265 -0.159 19511 1615 1 5 . 1 1 66 66 LYS CA C 66 54.657 54.657 54.902 -0.245 19511 1616 1 5 . 1 1 66 66 LYS CB C 66 29.634 29.634 30.595 -0.961 19511 1617 1 5 . 1 1 66 66 LYS H H 66 8.055 8.055 8.271 -0.216 19511 1618 1 5 . 1 1 67 67 ALA N N 67 122.520 122.520 122.144 0.376 19511 1619 1 5 . 1 1 67 67 ALA HA H 67 4.291 4.291 4.492 -0.201 19511 1620 1 5 . 1 1 67 67 ALA CA C 67 50.463 50.463 52.312 -1.849 19511 1621 1 5 . 1 1 67 67 ALA CB C 67 16.535 16.535 19.069 -2.534 19511 1622 1 5 . 1 1 67 67 ALA H H 67 7.846 7.846 7.580 0.266 19511 1623 1 5 . 1 1 68 68 GLY N N 68 106.371 106.371 111.502 -5.131 19511 1624 1 5 . 1 1 68 68 GLY CA C 68 42.991 42.991 44.773 -1.782 19511 1625 1 5 . 1 1 68 68 GLY H H 68 8.053 8.053 8.307 -0.254 19511 1626 1 5 . 1 1 69 69 ASN N N 69 118.766 118.766 118.779 -0.013 19511 1627 1 5 . 1 1 69 69 ASN HA H 69 4.832 4.832 5.181 -0.349 19511 1628 1 5 . 1 1 69 69 ASN CA C 69 50.749 50.749 52.938 -2.189 19511 1629 1 5 . 1 1 69 69 ASN CB C 69 36.737 36.737 41.177 -4.440 19511 1630 1 5 . 1 1 69 69 ASN H H 69 8.166 8.166 8.519 -0.353 19511 1631 1 5 . 1 1 70 70 VAL N N 70 119.471 119.471 117.835 1.636 19511 1632 1 5 . 1 1 70 70 VAL HA H 70 4.265 4.265 4.628 -0.363 19511 1633 1 5 . 1 1 70 70 VAL CA C 70 59.765 59.765 61.544 -1.779 19511 1634 1 5 . 1 1 70 70 VAL CB C 70 30.482 30.482 34.283 -3.801 19511 1635 1 5 . 1 1 70 70 VAL H H 70 8.087 8.087 8.830 -0.743 19511 1636 1 6 . 1 1 3 3 PRO HA H 3 4.499 4.499 4.484 0.015 19511 1637 1 6 . 1 1 3 3 PRO CA C 3 61.077 61.077 62.853 -1.776 19511 1638 1 6 . 1 1 3 3 PRO CB C 3 29.635 29.635 32.806 -3.171 19511 1639 1 6 . 1 1 4 4 GLY N N 4 109.482 109.482 106.393 3.089 19511 1640 1 6 . 1 1 4 4 GLY CA C 4 42.963 42.963 44.451 -1.488 19511 1641 1 6 . 1 1 4 4 GLY H H 4 8.521 8.521 8.146 0.375 19511 1642 1 6 . 1 1 5 5 GLY N N 5 108.605 108.605 107.408 1.197 19511 1643 1 6 . 1 1 5 5 GLY CA C 5 42.869 42.869 45.335 -2.466 19511 1644 1 6 . 1 1 5 5 GLY H H 5 8.245 8.245 8.660 -0.415 19511 1645 1 6 . 1 1 6 6 LYS N N 6 120.900 120.900 122.639 -1.739 19511 1646 1 6 . 1 1 6 6 LYS HA H 6 4.454 4.454 4.508 -0.054 19511 1647 1 6 . 1 1 6 6 LYS CA C 6 53.594 53.594 55.905 -2.311 19511 1648 1 6 . 1 1 6 6 LYS CB C 6 31.034 31.034 34.615 -3.581 19511 1649 1 6 . 1 1 6 6 LYS H H 6 8.201 8.201 8.111 0.090 19511 1650 1 6 . 1 1 7 7 SER N N 7 118.055 118.055 118.320 -0.265 19511 1651 1 6 . 1 1 7 7 SER HA H 7 4.533 4.533 4.653 -0.120 19511 1652 1 6 . 1 1 7 7 SER CA C 7 55.637 55.637 57.543 -1.906 19511 1653 1 6 . 1 1 7 7 SER CB C 7 61.343 61.343 64.779 -3.436 19511 1654 1 6 . 1 1 7 7 SER H H 7 8.425 8.425 8.498 -0.073 19511 1655 1 6 . 1 1 8 8 ARG HA H 8 4.547 4.547 4.255 0.292 19511 1656 1 6 . 1 1 8 8 ARG CA C 8 53.146 53.146 56.827 -3.681 19511 1657 1 6 . 1 1 8 8 ARG CB C 8 29.317 29.317 30.043 -0.726 19511 1658 1 6 . 1 1 9 9 ARG N N 9 124.954 124.954 123.908 1.046 19511 1659 1 6 . 1 1 9 9 ARG HA H 9 4.321 4.321 4.447 -0.126 19511 1660 1 6 . 1 1 9 9 ARG CA C 9 54.049 54.049 55.023 -0.974 19511 1661 1 6 . 1 1 9 9 ARG CB C 9 28.705 28.705 33.734 -5.029 19511 1662 1 6 . 1 1 9 9 ARG H H 9 9.037 9.037 8.333 0.704 19511 1663 1 6 . 1 1 10 10 ARG N N 10 122.493 122.493 123.291 -0.798 19511 1664 1 6 . 1 1 10 10 ARG HA H 10 4.322 4.322 4.198 0.124 19511 1665 1 6 . 1 1 10 10 ARG CA C 10 53.971 53.971 57.131 -3.160 19511 1666 1 6 . 1 1 10 10 ARG CB C 10 28.386 28.386 28.999 -0.613 19511 1667 1 6 . 1 1 10 10 ARG H H 10 8.350 8.350 8.586 -0.236 19511 1668 1 6 . 1 1 11 11 ARG N N 11 123.361 123.361 123.274 0.087 19511 1669 1 6 . 1 1 11 11 ARG HA H 11 4.312 4.312 4.429 -0.117 19511 1670 1 6 . 1 1 11 11 ARG CA C 11 53.146 53.146 55.777 -2.631 19511 1671 1 6 . 1 1 11 11 ARG CB C 11 30.162 30.162 31.194 -1.032 19511 1672 1 6 . 1 1 11 11 ARG H H 11 8.508 8.508 8.285 0.223 19511 1673 1 6 . 1 1 12 12 THR N N 12 126.287 126.287 117.741 8.546 19511 1674 1 6 . 1 1 12 12 THR HA H 12 3.790 3.790 4.003 -0.213 19511 1675 1 6 . 1 1 12 12 THR CA C 12 62.948 62.948 62.719 0.229 19511 1676 1 6 . 1 1 12 12 THR CB C 12 66.854 66.854 69.276 -2.422 19511 1677 1 6 . 1 1 12 12 THR H H 12 8.068 8.068 7.715 0.353 19511 1678 1 6 . 1 1 13 13 ALA N N 13 129.745 129.745 131.105 -1.360 19511 1679 1 6 . 1 1 13 13 ALA HA H 13 4.664 4.664 4.563 0.101 19511 1680 1 6 . 1 1 13 13 ALA CA C 13 47.602 47.602 51.540 -3.938 19511 1681 1 6 . 1 1 13 13 ALA CB C 13 16.412 16.412 19.606 -3.194 19511 1682 1 6 . 1 1 13 13 ALA H H 13 8.317 8.317 7.835 0.482 19511 1683 1 6 . 1 1 14 14 PHE N N 14 124.589 124.589 119.982 4.607 19511 1684 1 6 . 1 1 14 14 PHE HA H 14 4.708 4.708 4.789 -0.081 19511 1685 1 6 . 1 1 14 14 PHE CA C 14 56.288 56.288 55.797 0.491 19511 1686 1 6 . 1 1 14 14 PHE CB C 14 38.229 38.229 40.252 -2.023 19511 1687 1 6 . 1 1 14 14 PHE H H 14 8.594 8.594 7.896 0.698 19511 1688 1 6 . 1 1 15 15 THR N N 15 113.746 113.746 114.516 -0.770 19511 1689 1 6 . 1 1 15 15 THR HA H 15 4.575 4.575 4.604 -0.029 19511 1690 1 6 . 1 1 15 15 THR CA C 15 58.027 58.027 60.045 -2.018 19511 1691 1 6 . 1 1 15 15 THR CB C 15 68.256 68.256 71.036 -2.780 19511 1692 1 6 . 1 1 15 15 THR H H 15 9.053 9.053 8.172 0.881 19511 1693 1 6 . 1 1 16 16 SER N N 16 116.624 116.624 120.430 -3.806 19511 1694 1 6 . 1 1 16 16 SER HA H 16 4.713 4.713 4.305 0.408 19511 1695 1 6 . 1 1 16 16 SER CA C 16 59.750 59.750 60.661 -0.911 19511 1696 1 6 . 1 1 16 16 SER CB C 16 59.639 59.639 62.811 -3.172 19511 1697 1 6 . 1 1 16 16 SER H H 16 9.092 9.092 8.688 0.404 19511 1698 1 6 . 1 1 17 17 GLU N N 17 120.287 120.287 120.366 -0.079 19511 1699 1 6 . 1 1 17 17 GLU HA H 17 4.081 4.081 4.363 -0.282 19511 1700 1 6 . 1 1 17 17 GLU CA C 17 57.565 57.565 57.566 -0.001 19511 1701 1 6 . 1 1 17 17 GLU CB C 17 26.998 26.998 29.812 -2.814 19511 1702 1 6 . 1 1 17 17 GLU H H 17 8.560 8.560 8.198 0.362 19511 1703 1 6 . 1 1 18 18 GLN N N 18 118.169 118.169 118.043 0.126 19511 1704 1 6 . 1 1 18 18 GLN HA H 18 3.898 3.898 4.378 -0.480 19511 1705 1 6 . 1 1 18 18 GLN CA C 18 56.609 56.609 56.682 -0.073 19511 1706 1 6 . 1 1 18 18 GLN CB C 18 32.647 32.647 30.022 2.625 19511 1707 1 6 . 1 1 18 18 GLN H H 18 7.769 7.769 7.717 0.052 19511 1708 1 6 . 1 1 19 19 LEU N N 19 116.929 116.929 121.147 -4.218 19511 1709 1 6 . 1 1 19 19 LEU HA H 19 3.655 3.655 3.886 -0.231 19511 1710 1 6 . 1 1 19 19 LEU CA C 19 55.390 55.390 57.349 -1.960 19511 1711 1 6 . 1 1 19 19 LEU CB C 19 39.414 39.414 41.600 -2.186 19511 1712 1 6 . 1 1 19 19 LEU H H 19 8.227 8.227 8.310 -0.083 19511 1713 1 6 . 1 1 20 20 LEU N N 20 118.864 118.864 119.132 -0.268 19511 1714 1 6 . 1 1 20 20 LEU HA H 20 4.034 4.034 3.962 0.072 19511 1715 1 6 . 1 1 20 20 LEU CA C 20 55.765 55.765 58.304 -2.539 19511 1716 1 6 . 1 1 20 20 LEU CB C 20 39.758 39.758 40.549 -0.791 19511 1717 1 6 . 1 1 20 20 LEU H H 20 8.037 8.037 8.037 0.000 19511 1718 1 6 . 1 1 21 21 GLU N N 21 118.147 118.147 117.381 0.766 19511 1719 1 6 . 1 1 21 21 GLU HA H 21 4.159 4.159 4.052 0.107 19511 1720 1 6 . 1 1 21 21 GLU CA C 21 56.062 56.062 58.759 -2.697 19511 1721 1 6 . 1 1 21 21 GLU CB C 21 27.576 27.576 29.121 -1.545 19511 1722 1 6 . 1 1 21 21 GLU H H 21 7.491 7.491 8.119 -0.628 19511 1723 1 6 . 1 1 22 22 LEU N N 22 122.316 122.316 121.657 0.659 19511 1724 1 6 . 1 1 22 22 LEU HA H 22 3.534 3.534 3.772 -0.238 19511 1725 1 6 . 1 1 22 22 LEU CA C 22 56.091 56.091 58.235 -2.144 19511 1726 1 6 . 1 1 22 22 LEU CB C 22 35.557 35.557 41.548 -5.991 19511 1727 1 6 . 1 1 22 22 LEU H H 22 8.254 8.254 7.216 1.038 19511 1728 1 6 . 1 1 23 23 GLU N N 23 117.645 117.645 117.736 -0.091 19511 1729 1 6 . 1 1 23 23 GLU HA H 23 4.319 4.319 4.140 0.179 19511 1730 1 6 . 1 1 23 23 GLU CA C 23 56.627 56.627 59.208 -2.581 19511 1731 1 6 . 1 1 23 23 GLU CB C 23 26.800 26.800 29.458 -2.658 19511 1732 1 6 . 1 1 23 23 GLU H H 23 8.084 8.084 8.321 -0.237 19511 1733 1 6 . 1 1 24 24 LYS N N 24 120.989 120.989 120.693 0.296 19511 1734 1 6 . 1 1 24 24 LYS HA H 24 4.088 4.088 3.975 0.113 19511 1735 1 6 . 1 1 24 24 LYS CA C 24 57.392 57.392 59.827 -2.435 19511 1736 1 6 . 1 1 24 24 LYS H H 24 7.884 7.884 8.053 -0.169 19511 1737 1 6 . 1 1 25 25 GLU N N 25 119.686 119.686 119.136 0.550 19511 1738 1 6 . 1 1 25 25 GLU HA H 25 4.325 4.325 4.084 0.241 19511 1739 1 6 . 1 1 25 25 GLU CA C 25 56.529 56.529 58.931 -2.402 19511 1740 1 6 . 1 1 25 25 GLU CB C 25 26.344 26.344 29.259 -2.915 19511 1741 1 6 . 1 1 25 25 GLU H H 25 8.179 8.179 7.659 0.520 19511 1742 1 6 . 1 1 26 26 PHE N N 26 121.229 121.229 117.705 3.524 19511 1743 1 6 . 1 1 26 26 PHE HA H 26 4.769 4.769 4.733 0.036 19511 1744 1 6 . 1 1 26 26 PHE CA C 26 57.746 57.746 60.815 -3.069 19511 1745 1 6 . 1 1 26 26 PHE CB C 26 41.554 41.554 39.053 2.501 19511 1746 1 6 . 1 1 26 26 PHE H H 26 8.896 8.896 8.292 0.604 19511 1747 1 6 . 1 1 27 27 HIS N N 27 115.789 115.789 117.782 -1.993 19511 1748 1 6 . 1 1 27 27 HIS HA H 27 4.069 4.069 4.511 -0.442 19511 1749 1 6 . 1 1 27 27 HIS CA C 27 56.598 56.598 58.906 -2.308 19511 1750 1 6 . 1 1 27 27 HIS CB C 27 27.235 27.235 30.003 -2.768 19511 1751 1 6 . 1 1 27 27 HIS H H 27 8.110 8.110 7.962 0.148 19511 1752 1 6 . 1 1 28 28 CYS N N 28 115.311 115.311 115.128 0.183 19511 1753 1 6 . 1 1 28 28 CYS HA H 28 4.553 4.553 4.528 0.025 19511 1754 1 6 . 1 1 28 28 CYS CA C 28 54.270 54.270 59.512 -5.242 19511 1755 1 6 . 1 1 28 28 CYS CB C 28 39.551 39.551 30.733 8.818 19511 1756 1 6 . 1 1 28 28 CYS H H 28 7.470 7.470 7.744 -0.274 19511 1757 1 6 . 1 1 29 29 LYS N N 29 122.013 122.013 120.178 1.835 19511 1758 1 6 . 1 1 29 29 LYS HA H 29 4.412 4.412 4.296 0.116 19511 1759 1 6 . 1 1 29 29 LYS CA C 29 53.840 53.840 54.878 -1.038 19511 1760 1 6 . 1 1 29 29 LYS CB C 29 32.448 32.448 33.803 -1.355 19511 1761 1 6 . 1 1 29 29 LYS H H 29 8.648 8.648 8.001 0.647 19511 1762 1 6 . 1 1 30 30 LYS N N 30 117.519 117.519 121.525 -4.006 19511 1763 1 6 . 1 1 30 30 LYS HA H 30 3.837 3.837 4.012 -0.175 19511 1764 1 6 . 1 1 30 30 LYS CA C 30 53.748 53.748 57.026 -3.278 19511 1765 1 6 . 1 1 30 30 LYS CB C 30 30.195 30.195 32.993 -2.798 19511 1766 1 6 . 1 1 30 30 LYS H H 30 7.887 7.887 8.440 -0.553 19511 1767 1 6 . 1 1 31 31 TYR N N 31 112.770 112.770 112.773 -0.003 19511 1768 1 6 . 1 1 31 31 TYR HA H 31 4.591 4.591 4.537 0.054 19511 1769 1 6 . 1 1 31 31 TYR CA C 31 53.415 53.415 54.983 -1.567 19511 1770 1 6 . 1 1 31 31 TYR CB C 31 39.905 39.905 39.632 0.273 19511 1771 1 6 . 1 1 31 31 TYR H H 31 7.368 7.368 6.777 0.591 19511 1772 1 6 . 1 1 32 32 LEU N N 32 120.286 120.286 124.612 -4.326 19511 1773 1 6 . 1 1 32 32 LEU HA H 32 4.766 4.766 4.393 0.373 19511 1774 1 6 . 1 1 32 32 LEU CA C 32 50.290 50.290 54.617 -4.327 19511 1775 1 6 . 1 1 32 32 LEU CB C 32 42.846 42.846 42.282 0.564 19511 1776 1 6 . 1 1 32 32 LEU H H 32 8.442 8.442 8.351 0.091 19511 1777 1 6 . 1 1 33 33 SER N N 33 120.490 120.490 122.262 -1.772 19511 1778 1 6 . 1 1 33 33 SER HA H 33 4.045 4.045 4.454 -0.409 19511 1779 1 6 . 1 1 33 33 SER CA C 33 54.957 54.957 58.173 -3.216 19511 1780 1 6 . 1 1 33 33 SER CB C 33 63.875 63.875 62.244 1.631 19511 1781 1 6 . 1 1 33 33 SER H H 33 9.439 9.439 8.816 0.623 19511 1782 1 6 . 1 1 34 34 LEU N N 34 121.725 121.725 122.256 -0.531 19511 1783 1 6 . 1 1 34 34 LEU HA H 34 4.059 4.059 3.906 0.153 19511 1784 1 6 . 1 1 34 34 LEU CA C 34 56.683 56.683 58.145 -1.462 19511 1785 1 6 . 1 1 34 34 LEU CB C 34 38.920 38.920 40.805 -1.885 19511 1786 1 6 . 1 1 34 34 LEU H H 34 8.886 8.886 8.446 0.440 19511 1787 1 6 . 1 1 35 35 THR N N 35 113.779 113.779 115.701 -1.922 19511 1788 1 6 . 1 1 35 35 THR HA H 35 4.047 4.047 4.062 -0.015 19511 1789 1 6 . 1 1 35 35 THR CA C 35 63.322 63.322 66.035 -2.713 19511 1790 1 6 . 1 1 35 35 THR CB C 35 65.973 65.973 68.815 -2.842 19511 1791 1 6 . 1 1 35 35 THR H H 35 8.142 8.142 8.043 0.099 19511 1792 1 6 . 1 1 36 36 GLU N N 36 122.728 122.728 118.548 4.180 19511 1793 1 6 . 1 1 36 36 GLU HA H 36 4.036 4.036 4.301 -0.265 19511 1794 1 6 . 1 1 36 36 GLU CA C 36 56.454 56.454 58.322 -1.868 19511 1795 1 6 . 1 1 36 36 GLU CB C 36 27.949 27.949 29.409 -1.460 19511 1796 1 6 . 1 1 36 36 GLU H H 36 7.658 7.658 8.196 -0.538 19511 1797 1 6 . 1 1 37 37 ARG N N 37 118.862 118.862 120.537 -1.675 19511 1798 1 6 . 1 1 37 37 ARG HA H 37 3.842 3.842 4.327 -0.485 19511 1799 1 6 . 1 1 37 37 ARG CA C 37 57.537 57.537 58.638 -1.101 19511 1800 1 6 . 1 1 37 37 ARG CB C 37 28.496 28.496 29.632 -1.136 19511 1801 1 6 . 1 1 37 37 ARG H H 37 8.762 8.762 8.234 0.528 19511 1802 1 6 . 1 1 38 38 SER N N 38 113.126 113.126 113.227 -0.101 19511 1803 1 6 . 1 1 38 38 SER HA H 38 4.039 4.039 4.583 -0.544 19511 1804 1 6 . 1 1 38 38 SER CA C 38 60.349 60.349 58.453 1.896 19511 1805 1 6 . 1 1 38 38 SER CB C 38 65.383 65.383 62.191 3.192 19511 1806 1 6 . 1 1 38 38 SER H H 38 7.989 7.989 7.633 0.356 19511 1807 1 6 . 1 1 39 39 GLN N N 39 121.461 121.461 121.010 0.451 19511 1808 1 6 . 1 1 39 39 GLN HA H 39 4.176 4.176 4.257 -0.081 19511 1809 1 6 . 1 1 39 39 GLN CA C 39 56.766 56.766 57.712 -0.945 19511 1810 1 6 . 1 1 39 39 GLN CB C 39 25.985 25.985 28.864 -2.879 19511 1811 1 6 . 1 1 39 39 GLN H H 39 8.017 8.017 7.512 0.505 19511 1812 1 6 . 1 1 40 40 ILE N N 40 121.303 121.303 121.192 0.111 19511 1813 1 6 . 1 1 40 40 ILE HA H 40 3.943 3.943 3.634 0.309 19511 1814 1 6 . 1 1 40 40 ILE CA C 40 62.170 62.170 64.790 -2.620 19511 1815 1 6 . 1 1 40 40 ILE CB C 40 35.984 35.984 37.262 -1.278 19511 1816 1 6 . 1 1 40 40 ILE H H 40 8.290 8.290 8.229 0.061 19511 1817 1 6 . 1 1 41 41 ALA N N 41 121.610 121.610 119.919 1.691 19511 1818 1 6 . 1 1 41 41 ALA HA H 41 3.757 3.757 4.113 -0.356 19511 1819 1 6 . 1 1 41 41 ALA CA C 41 53.812 53.812 53.929 -0.117 19511 1820 1 6 . 1 1 41 41 ALA CB C 41 15.288 15.288 18.623 -3.335 19511 1821 1 6 . 1 1 41 41 ALA H H 41 8.201 8.201 7.639 0.562 19511 1822 1 6 . 1 1 42 42 HIS N N 42 114.498 114.498 113.983 0.515 19511 1823 1 6 . 1 1 42 42 HIS HA H 42 3.751 3.751 4.623 -0.872 19511 1824 1 6 . 1 1 42 42 HIS CA C 42 53.713 53.713 55.104 -1.391 19511 1825 1 6 . 1 1 42 42 HIS CB C 42 25.282 25.282 30.846 -5.564 19511 1826 1 6 . 1 1 42 42 HIS H H 42 8.136 8.136 8.135 0.001 19511 1827 1 6 . 1 1 43 43 ALA N N 43 121.763 121.763 121.597 0.166 19511 1828 1 6 . 1 1 43 43 ALA HA H 43 4.118 4.118 4.533 -0.415 19511 1829 1 6 . 1 1 43 43 ALA CA C 43 52.521 52.521 53.385 -0.864 19511 1830 1 6 . 1 1 43 43 ALA CB C 43 16.046 16.046 20.791 -4.745 19511 1831 1 6 . 1 1 43 43 ALA H H 43 8.181 8.181 7.986 0.195 19511 1832 1 6 . 1 1 44 44 LEU N N 44 114.063 114.063 119.021 -4.958 19511 1833 1 6 . 1 1 44 44 LEU HA H 44 4.416 4.416 4.393 0.023 19511 1834 1 6 . 1 1 44 44 LEU CA C 44 51.814 51.814 55.654 -3.841 19511 1835 1 6 . 1 1 44 44 LEU CB C 44 40.181 40.181 43.492 -3.311 19511 1836 1 6 . 1 1 44 44 LEU H H 44 8.016 8.016 7.770 0.246 19511 1837 1 6 . 1 1 45 45 LYS N N 45 116.933 116.933 116.822 0.111 19511 1838 1 6 . 1 1 45 45 LYS HA H 45 4.026 4.026 4.428 -0.402 19511 1839 1 6 . 1 1 45 45 LYS CA C 45 54.887 54.887 56.181 -1.294 19511 1840 1 6 . 1 1 45 45 LYS CB C 45 26.031 26.031 32.121 -6.090 19511 1841 1 6 . 1 1 45 45 LYS H H 45 7.867 7.867 8.142 -0.275 19511 1842 1 6 . 1 1 46 46 LEU N N 46 119.776 119.776 120.885 -1.109 19511 1843 1 6 . 1 1 46 46 LEU HA H 46 4.937 4.937 4.701 0.236 19511 1844 1 6 . 1 1 46 46 LEU CA C 46 49.983 49.983 53.820 -3.837 19511 1845 1 6 . 1 1 46 46 LEU CB C 46 45.389 45.389 43.948 1.441 19511 1846 1 6 . 1 1 46 46 LEU H H 46 8.517 8.517 8.092 0.425 19511 1847 1 6 . 1 1 47 47 SER N N 47 114.945 114.945 119.139 -4.194 19511 1848 1 6 . 1 1 47 47 SER HA H 47 4.856 4.856 4.572 0.284 19511 1849 1 6 . 1 1 47 47 SER CA C 47 54.112 54.112 57.387 -3.275 19511 1850 1 6 . 1 1 47 47 SER CB C 47 62.635 62.635 64.296 -1.661 19511 1851 1 6 . 1 1 47 47 SER H H 47 9.225 9.225 8.724 0.501 19511 1852 1 6 . 1 1 48 48 GLU N N 48 122.216 122.216 125.489 -3.273 19511 1853 1 6 . 1 1 48 48 GLU HA H 48 3.778 3.778 3.950 -0.172 19511 1854 1 6 . 1 1 48 48 GLU CA C 48 58.893 58.893 60.465 -1.572 19511 1855 1 6 . 1 1 48 48 GLU CB C 48 27.002 27.002 29.326 -2.324 19511 1856 1 6 . 1 1 48 48 GLU H H 48 9.278 9.278 9.097 0.181 19511 1857 1 6 . 1 1 49 49 VAL N N 49 118.235 118.235 119.015 -0.780 19511 1858 1 6 . 1 1 49 49 VAL HA H 49 3.854 3.854 3.824 0.030 19511 1859 1 6 . 1 1 49 49 VAL CA C 49 63.808 63.808 66.172 -2.364 19511 1860 1 6 . 1 1 49 49 VAL CB C 49 29.556 29.556 31.382 -1.826 19511 1861 1 6 . 1 1 49 49 VAL H H 49 7.993 7.993 8.182 -0.189 19511 1862 1 6 . 1 1 50 50 GLN N N 50 119.879 119.879 118.372 1.507 19511 1863 1 6 . 1 1 50 50 GLN HA H 50 4.296 4.296 4.084 0.212 19511 1864 1 6 . 1 1 50 50 GLN CA C 50 57.495 57.495 58.339 -0.844 19511 1865 1 6 . 1 1 50 50 GLN CB C 50 27.381 27.381 28.513 -1.132 19511 1866 1 6 . 1 1 50 50 GLN H H 50 7.705 7.705 7.614 0.091 19511 1867 1 6 . 1 1 51 51 VAL N N 51 117.905 117.905 120.649 -2.744 19511 1868 1 6 . 1 1 51 51 VAL HA H 51 3.818 3.818 3.489 0.329 19511 1869 1 6 . 1 1 51 51 VAL CA C 51 64.839 64.839 66.468 -1.629 19511 1870 1 6 . 1 1 51 51 VAL CB C 51 29.968 29.968 31.306 -1.338 19511 1871 1 6 . 1 1 51 51 VAL H H 51 7.629 7.629 8.436 -0.807 19511 1872 1 6 . 1 1 52 52 LYS N N 52 120.669 120.669 119.992 0.677 19511 1873 1 6 . 1 1 52 52 LYS HA H 52 4.168 4.168 4.295 -0.127 19511 1874 1 6 . 1 1 52 52 LYS CA C 52 57.489 57.489 59.832 -2.343 19511 1875 1 6 . 1 1 52 52 LYS CB C 52 30.473 30.473 32.489 -2.016 19511 1876 1 6 . 1 1 52 52 LYS H H 52 8.802 8.802 7.999 0.803 19511 1877 1 6 . 1 1 53 53 ILE N N 53 120.041 120.041 117.173 2.868 19511 1878 1 6 . 1 1 53 53 ILE HA H 53 3.710 3.710 3.990 -0.280 19511 1879 1 6 . 1 1 53 53 ILE CA C 53 61.549 61.549 63.984 -2.436 19511 1880 1 6 . 1 1 53 53 ILE CB C 53 35.022 35.022 38.380 -3.358 19511 1881 1 6 . 1 1 53 53 ILE H H 53 8.711 8.711 7.610 1.101 19511 1882 1 6 . 1 1 54 54 TRP N N 54 123.292 123.292 124.184 -0.892 19511 1883 1 6 . 1 1 54 54 TRP HA H 54 4.731 4.731 4.169 0.562 19511 1884 1 6 . 1 1 54 54 TRP CA C 54 60.105 60.105 61.555 -1.450 19511 1885 1 6 . 1 1 54 54 TRP CB C 54 26.108 26.108 29.152 -3.044 19511 1886 1 6 . 1 1 54 54 TRP H H 54 8.467 8.467 7.744 0.723 19511 1887 1 6 . 1 1 55 55 PHE N N 55 118.279 118.279 116.190 2.089 19511 1888 1 6 . 1 1 55 55 PHE HA H 55 3.801 3.801 4.238 -0.437 19511 1889 1 6 . 1 1 55 55 PHE CA C 55 61.097 61.097 59.770 1.327 19511 1890 1 6 . 1 1 55 55 PHE CB C 55 36.812 36.812 37.847 -1.035 19511 1891 1 6 . 1 1 55 55 PHE H H 55 8.923 8.923 7.527 1.396 19511 1892 1 6 . 1 1 56 56 GLN N N 56 117.830 117.830 119.492 -1.662 19511 1893 1 6 . 1 1 56 56 GLN HA H 56 4.036 4.036 4.084 -0.048 19511 1894 1 6 . 1 1 56 56 GLN CA C 56 57.329 57.329 58.681 -1.352 19511 1895 1 6 . 1 1 56 56 GLN CB C 56 25.312 25.312 28.390 -3.078 19511 1896 1 6 . 1 1 56 56 GLN H H 56 7.994 7.994 8.352 -0.358 19511 1897 1 6 . 1 1 57 57 ASN N N 57 119.840 119.840 118.993 0.847 19511 1898 1 6 . 1 1 57 57 ASN HA H 57 4.632 4.632 4.506 0.126 19511 1899 1 6 . 1 1 57 57 ASN CA C 57 55.637 55.637 55.435 0.202 19511 1900 1 6 . 1 1 57 57 ASN CB C 57 35.824 35.824 38.376 -2.552 19511 1901 1 6 . 1 1 57 57 ASN H H 57 8.715 8.715 7.970 0.745 19511 1902 1 6 . 1 1 58 58 ARG N N 58 125.366 125.366 119.932 5.434 19511 1903 1 6 . 1 1 58 58 ARG HA H 58 3.656 3.656 3.856 -0.200 19511 1904 1 6 . 1 1 58 58 ARG CA C 58 53.865 53.865 57.443 -3.578 19511 1905 1 6 . 1 1 58 58 ARG CB C 58 25.436 25.436 29.132 -3.696 19511 1906 1 6 . 1 1 58 58 ARG H H 58 8.806 8.806 7.383 1.423 19511 1907 1 6 . 1 1 59 59 ARG N N 59 120.172 120.172 117.559 2.613 19511 1908 1 6 . 1 1 59 59 ARG CB C 59 29.582 29.582 30.387 -0.805 19511 1909 1 6 . 1 1 59 59 ARG H H 59 8.345 8.345 7.605 0.740 19511 1910 1 6 . 1 1 60 60 ALA N N 60 122.418 122.418 122.349 0.069 19511 1911 1 6 . 1 1 60 60 ALA HA H 60 4.420 4.420 4.232 0.188 19511 1912 1 6 . 1 1 60 60 ALA CA C 60 53.005 53.005 53.928 -0.923 19511 1913 1 6 . 1 1 60 60 ALA CB C 60 15.567 15.567 18.405 -2.838 19511 1914 1 6 . 1 1 60 60 ALA H H 60 7.587 7.587 7.634 -0.047 19511 1915 1 6 . 1 1 61 61 LYS N N 61 119.912 119.912 119.127 0.785 19511 1916 1 6 . 1 1 61 61 LYS HA H 61 4.003 4.003 3.796 0.207 19511 1917 1 6 . 1 1 61 61 LYS CA C 61 57.164 57.164 59.533 -2.369 19511 1918 1 6 . 1 1 61 61 LYS CB C 61 30.390 30.390 31.811 -1.421 19511 1919 1 6 . 1 1 61 61 LYS H H 61 7.856 7.856 8.238 -0.382 19511 1920 1 6 . 1 1 62 62 TRP N N 62 119.782 119.782 116.949 2.833 19511 1921 1 6 . 1 1 62 62 TRP HA H 62 4.535 4.535 4.589 -0.054 19511 1922 1 6 . 1 1 62 62 TRP CA C 62 57.359 57.359 59.344 -1.985 19511 1923 1 6 . 1 1 62 62 TRP CB C 62 27.020 27.020 28.854 -1.834 19511 1924 1 6 . 1 1 62 62 TRP H H 62 8.265 8.265 7.480 0.785 19511 1925 1 6 . 1 1 63 63 LYS N N 63 117.139 117.139 120.600 -3.461 19511 1926 1 6 . 1 1 63 63 LYS HA H 63 3.713 3.713 4.122 -0.409 19511 1927 1 6 . 1 1 63 63 LYS CA C 63 56.518 56.518 59.085 -2.567 19511 1928 1 6 . 1 1 63 63 LYS CB C 63 30.224 30.224 31.758 -1.534 19511 1929 1 6 . 1 1 63 63 LYS H H 63 8.262 8.262 7.649 0.613 19511 1930 1 6 . 1 1 64 64 ARG N N 64 118.868 118.868 118.326 0.542 19511 1931 1 6 . 1 1 64 64 ARG HA H 64 4.192 4.192 4.062 0.130 19511 1932 1 6 . 1 1 64 64 ARG CA C 64 56.249 56.249 58.793 -2.544 19511 1933 1 6 . 1 1 64 64 ARG CB C 64 28.227 28.227 30.067 -1.841 19511 1934 1 6 . 1 1 64 64 ARG H H 64 7.737 7.737 8.152 -0.415 19511 1935 1 6 . 1 1 65 65 ILE N N 65 119.744 119.744 119.911 -0.167 19511 1936 1 6 . 1 1 65 65 ILE HA H 65 4.012 4.012 3.994 0.018 19511 1937 1 6 . 1 1 65 65 ILE CA C 65 60.187 60.187 64.094 -3.907 19511 1938 1 6 . 1 1 65 65 ILE CB C 65 35.588 35.588 38.334 -2.746 19511 1939 1 6 . 1 1 65 65 ILE H H 65 8.010 8.010 7.448 0.562 19511 1940 1 6 . 1 1 66 66 LYS N N 66 122.316 122.316 121.597 0.719 19511 1941 1 6 . 1 1 66 66 LYS HA H 66 4.106 4.106 4.301 -0.195 19511 1942 1 6 . 1 1 66 66 LYS CA C 66 54.657 54.657 54.673 -0.016 19511 1943 1 6 . 1 1 66 66 LYS CB C 66 29.634 29.634 30.632 -0.998 19511 1944 1 6 . 1 1 66 66 LYS H H 66 8.055 8.055 8.194 -0.139 19511 1945 1 6 . 1 1 67 67 ALA N N 67 122.520 122.520 123.193 -0.673 19511 1946 1 6 . 1 1 67 67 ALA HA H 67 4.291 4.291 4.453 -0.162 19511 1947 1 6 . 1 1 67 67 ALA CA C 67 50.463 50.463 52.009 -1.546 19511 1948 1 6 . 1 1 67 67 ALA CB C 67 16.535 16.535 18.690 -2.155 19511 1949 1 6 . 1 1 67 67 ALA H H 67 7.846 7.846 7.819 0.027 19511 1950 1 6 . 1 1 68 68 GLY N N 68 106.371 106.371 112.088 -5.717 19511 1951 1 6 . 1 1 68 68 GLY CA C 68 42.991 42.991 44.935 -1.944 19511 1952 1 6 . 1 1 68 68 GLY H H 68 8.053 8.053 8.689 -0.636 19511 1953 1 6 . 1 1 69 69 ASN N N 69 118.766 118.766 119.639 -0.873 19511 1954 1 6 . 1 1 69 69 ASN HA H 69 4.832 4.832 4.849 -0.017 19511 1955 1 6 . 1 1 69 69 ASN CA C 69 50.749 50.749 53.140 -2.391 19511 1956 1 6 . 1 1 69 69 ASN CB C 69 36.737 36.737 41.539 -4.802 19511 1957 1 6 . 1 1 69 69 ASN H H 69 8.166 8.166 8.033 0.133 19511 1958 1 6 . 1 1 70 70 VAL N N 70 119.471 119.471 121.093 -1.622 19511 1959 1 6 . 1 1 70 70 VAL HA H 70 4.265 4.265 4.740 -0.475 19511 1960 1 6 . 1 1 70 70 VAL CA C 70 59.765 59.765 61.328 -1.563 19511 1961 1 6 . 1 1 70 70 VAL CB C 70 30.482 30.482 34.362 -3.880 19511 1962 1 6 . 1 1 70 70 VAL H H 70 8.087 8.087 8.835 -0.748 19511 1963 1 7 . 1 1 3 3 PRO HA H 3 4.499 4.499 4.317 0.182 19511 1964 1 7 . 1 1 3 3 PRO CA C 3 61.077 61.077 63.123 -2.046 19511 1965 1 7 . 1 1 3 3 PRO CB C 3 29.635 29.635 32.474 -2.839 19511 1966 1 7 . 1 1 4 4 GLY N N 4 109.482 109.482 109.704 -0.222 19511 1967 1 7 . 1 1 4 4 GLY CA C 4 42.963 42.963 44.818 -1.855 19511 1968 1 7 . 1 1 4 4 GLY H H 4 8.521 8.521 8.060 0.461 19511 1969 1 7 . 1 1 5 5 GLY N N 5 108.605 108.605 106.921 1.684 19511 1970 1 7 . 1 1 5 5 GLY CA C 5 42.869 42.869 44.577 -1.708 19511 1971 1 7 . 1 1 5 5 GLY H H 5 8.245 8.245 8.373 -0.128 19511 1972 1 7 . 1 1 6 6 LYS N N 6 120.900 120.900 119.476 1.424 19511 1973 1 7 . 1 1 6 6 LYS HA H 6 4.454 4.454 4.738 -0.284 19511 1974 1 7 . 1 1 6 6 LYS CA C 6 53.594 53.594 55.745 -2.151 19511 1975 1 7 . 1 1 6 6 LYS CB C 6 31.034 31.034 33.733 -2.699 19511 1976 1 7 . 1 1 6 6 LYS H H 6 8.201 8.201 8.308 -0.107 19511 1977 1 7 . 1 1 7 7 SER N N 7 118.055 118.055 117.383 0.672 19511 1978 1 7 . 1 1 7 7 SER HA H 7 4.533 4.533 4.952 -0.419 19511 1979 1 7 . 1 1 7 7 SER CA C 7 55.637 55.637 57.412 -1.775 19511 1980 1 7 . 1 1 7 7 SER CB C 7 61.343 61.343 64.815 -3.472 19511 1981 1 7 . 1 1 7 7 SER H H 7 8.425 8.425 8.456 -0.031 19511 1982 1 7 . 1 1 8 8 ARG HA H 8 4.547 4.547 4.501 0.046 19511 1983 1 7 . 1 1 8 8 ARG CA C 8 53.146 53.146 55.429 -2.283 19511 1984 1 7 . 1 1 8 8 ARG CB C 8 29.317 29.317 31.686 -2.369 19511 1985 1 7 . 1 1 9 9 ARG N N 9 124.954 124.954 121.404 3.550 19511 1986 1 7 . 1 1 9 9 ARG HA H 9 4.321 4.321 4.486 -0.165 19511 1987 1 7 . 1 1 9 9 ARG CA C 9 54.049 54.049 55.424 -1.375 19511 1988 1 7 . 1 1 9 9 ARG CB C 9 28.705 28.705 31.148 -2.443 19511 1989 1 7 . 1 1 9 9 ARG H H 9 9.037 9.037 8.558 0.479 19511 1990 1 7 . 1 1 10 10 ARG N N 10 122.493 122.493 125.008 -2.515 19511 1991 1 7 . 1 1 10 10 ARG HA H 10 4.322 4.322 4.275 0.047 19511 1992 1 7 . 1 1 10 10 ARG CA C 10 53.971 53.971 56.577 -2.606 19511 1993 1 7 . 1 1 10 10 ARG CB C 10 28.386 28.386 29.040 -0.654 19511 1994 1 7 . 1 1 10 10 ARG H H 10 8.350 8.350 8.783 -0.433 19511 1995 1 7 . 1 1 11 11 ARG N N 11 123.361 123.361 121.230 2.131 19511 1996 1 7 . 1 1 11 11 ARG HA H 11 4.312 4.312 4.463 -0.151 19511 1997 1 7 . 1 1 11 11 ARG CA C 11 53.146 53.146 55.774 -2.628 19511 1998 1 7 . 1 1 11 11 ARG CB C 11 30.162 30.162 30.861 -0.699 19511 1999 1 7 . 1 1 11 11 ARG H H 11 8.508 8.508 8.041 0.467 19511 2000 1 7 . 1 1 12 12 THR N N 12 126.287 126.287 113.134 13.153 19511 2001 1 7 . 1 1 12 12 THR HA H 12 3.790 3.790 4.640 -0.850 19511 2002 1 7 . 1 1 12 12 THR CA C 12 62.948 62.948 61.401 1.547 19511 2003 1 7 . 1 1 12 12 THR CB C 12 66.854 66.854 69.998 -3.144 19511 2004 1 7 . 1 1 12 12 THR H H 12 8.068 8.068 7.449 0.619 19511 2005 1 7 . 1 1 13 13 ALA N N 13 129.745 129.745 124.085 5.660 19511 2006 1 7 . 1 1 13 13 ALA HA H 13 4.664 4.664 4.575 0.089 19511 2007 1 7 . 1 1 13 13 ALA CA C 13 47.602 47.602 52.320 -4.718 19511 2008 1 7 . 1 1 13 13 ALA CB C 13 16.412 16.412 18.986 -2.574 19511 2009 1 7 . 1 1 13 13 ALA H H 13 8.317 8.317 8.056 0.261 19511 2010 1 7 . 1 1 14 14 PHE N N 14 124.589 124.589 119.765 4.824 19511 2011 1 7 . 1 1 14 14 PHE HA H 14 4.708 4.708 4.859 -0.151 19511 2012 1 7 . 1 1 14 14 PHE CA C 14 56.288 56.288 56.959 -0.672 19511 2013 1 7 . 1 1 14 14 PHE CB C 14 38.229 38.229 40.073 -1.844 19511 2014 1 7 . 1 1 14 14 PHE H H 14 8.594 8.594 7.779 0.815 19511 2015 1 7 . 1 1 15 15 THR N N 15 113.746 113.746 112.761 0.985 19511 2016 1 7 . 1 1 15 15 THR HA H 15 4.575 4.575 4.561 0.014 19511 2017 1 7 . 1 1 15 15 THR CA C 15 58.027 58.027 60.253 -2.226 19511 2018 1 7 . 1 1 15 15 THR CB C 15 68.256 68.256 71.169 -2.913 19511 2019 1 7 . 1 1 15 15 THR H H 15 9.053 9.053 8.774 0.279 19511 2020 1 7 . 1 1 16 16 SER N N 16 116.624 116.624 118.064 -1.440 19511 2021 1 7 . 1 1 16 16 SER HA H 16 4.713 4.713 4.132 0.581 19511 2022 1 7 . 1 1 16 16 SER CA C 16 59.750 59.750 61.333 -1.583 19511 2023 1 7 . 1 1 16 16 SER CB C 16 59.639 59.639 63.278 -3.639 19511 2024 1 7 . 1 1 16 16 SER H H 16 9.092 9.092 8.754 0.338 19511 2025 1 7 . 1 1 17 17 GLU N N 17 120.287 120.287 118.531 1.756 19511 2026 1 7 . 1 1 17 17 GLU HA H 17 4.081 4.081 4.093 -0.012 19511 2027 1 7 . 1 1 17 17 GLU CA C 17 57.565 57.565 58.972 -1.407 19511 2028 1 7 . 1 1 17 17 GLU CB C 17 26.998 26.998 29.554 -2.556 19511 2029 1 7 . 1 1 17 17 GLU H H 17 8.560 8.560 8.625 -0.065 19511 2030 1 7 . 1 1 18 18 GLN N N 18 118.169 118.169 118.217 -0.048 19511 2031 1 7 . 1 1 18 18 GLN HA H 18 3.898 3.898 4.137 -0.239 19511 2032 1 7 . 1 1 18 18 GLN CA C 18 56.609 56.609 57.692 -1.083 19511 2033 1 7 . 1 1 18 18 GLN CB C 18 32.647 32.647 28.568 4.079 19511 2034 1 7 . 1 1 18 18 GLN H H 18 7.769 7.769 7.712 0.057 19511 2035 1 7 . 1 1 19 19 LEU N N 19 116.929 116.929 120.070 -3.141 19511 2036 1 7 . 1 1 19 19 LEU HA H 19 3.655 3.655 3.961 -0.306 19511 2037 1 7 . 1 1 19 19 LEU CA C 19 55.390 55.390 56.741 -1.351 19511 2038 1 7 . 1 1 19 19 LEU CB C 19 39.414 39.414 41.432 -2.018 19511 2039 1 7 . 1 1 19 19 LEU H H 19 8.227 8.227 7.579 0.648 19511 2040 1 7 . 1 1 20 20 LEU N N 20 118.864 118.864 120.240 -1.376 19511 2041 1 7 . 1 1 20 20 LEU HA H 20 4.034 4.034 3.904 0.130 19511 2042 1 7 . 1 1 20 20 LEU CA C 20 55.765 55.765 58.546 -2.781 19511 2043 1 7 . 1 1 20 20 LEU CB C 20 39.758 39.758 41.434 -1.675 19511 2044 1 7 . 1 1 20 20 LEU H H 20 8.037 8.037 7.306 0.731 19511 2045 1 7 . 1 1 21 21 GLU N N 21 118.147 118.147 118.068 0.079 19511 2046 1 7 . 1 1 21 21 GLU HA H 21 4.159 4.159 3.999 0.160 19511 2047 1 7 . 1 1 21 21 GLU CA C 21 56.062 56.062 59.274 -3.212 19511 2048 1 7 . 1 1 21 21 GLU CB C 21 27.576 27.576 28.945 -1.369 19511 2049 1 7 . 1 1 21 21 GLU H H 21 7.491 7.491 8.115 -0.624 19511 2050 1 7 . 1 1 22 22 LEU N N 22 122.316 122.316 120.535 1.781 19511 2051 1 7 . 1 1 22 22 LEU HA H 22 3.534 3.534 3.689 -0.155 19511 2052 1 7 . 1 1 22 22 LEU CA C 22 56.091 56.091 57.930 -1.839 19511 2053 1 7 . 1 1 22 22 LEU CB C 22 35.557 35.557 41.391 -5.834 19511 2054 1 7 . 1 1 22 22 LEU H H 22 8.254 8.254 7.412 0.842 19511 2055 1 7 . 1 1 23 23 GLU N N 23 117.645 117.645 118.305 -0.660 19511 2056 1 7 . 1 1 23 23 GLU HA H 23 4.319 4.319 4.116 0.203 19511 2057 1 7 . 1 1 23 23 GLU CA C 23 56.627 56.627 59.582 -2.955 19511 2058 1 7 . 1 1 23 23 GLU CB C 23 26.800 26.800 29.510 -2.710 19511 2059 1 7 . 1 1 23 23 GLU H H 23 8.084 8.084 8.224 -0.140 19511 2060 1 7 . 1 1 24 24 LYS N N 24 120.989 120.989 120.028 0.961 19511 2061 1 7 . 1 1 24 24 LYS HA H 24 4.088 4.088 3.874 0.214 19511 2062 1 7 . 1 1 24 24 LYS CA C 24 57.392 57.392 59.765 -2.373 19511 2063 1 7 . 1 1 24 24 LYS H H 24 7.884 7.884 8.189 -0.305 19511 2064 1 7 . 1 1 25 25 GLU N N 25 119.686 119.686 118.384 1.302 19511 2065 1 7 . 1 1 25 25 GLU HA H 25 4.325 4.325 4.169 0.156 19511 2066 1 7 . 1 1 25 25 GLU CA C 25 56.529 56.529 59.233 -2.704 19511 2067 1 7 . 1 1 25 25 GLU CB C 25 26.344 26.344 29.752 -3.408 19511 2068 1 7 . 1 1 25 25 GLU H H 25 8.179 8.179 7.560 0.619 19511 2069 1 7 . 1 1 26 26 PHE N N 26 121.229 121.229 119.524 1.705 19511 2070 1 7 . 1 1 26 26 PHE HA H 26 4.769 4.769 4.620 0.149 19511 2071 1 7 . 1 1 26 26 PHE CA C 26 57.746 57.746 60.273 -2.527 19511 2072 1 7 . 1 1 26 26 PHE CB C 26 41.554 41.554 39.090 2.464 19511 2073 1 7 . 1 1 26 26 PHE H H 26 8.896 8.896 8.120 0.776 19511 2074 1 7 . 1 1 27 27 HIS N N 27 115.789 115.789 118.914 -3.125 19511 2075 1 7 . 1 1 27 27 HIS HA H 27 4.069 4.069 4.179 -0.110 19511 2076 1 7 . 1 1 27 27 HIS CA C 27 56.598 56.598 59.912 -3.314 19511 2077 1 7 . 1 1 27 27 HIS CB C 27 27.235 27.235 30.455 -3.220 19511 2078 1 7 . 1 1 27 27 HIS H H 27 8.110 8.110 8.336 -0.226 19511 2079 1 7 . 1 1 28 28 CYS N N 28 115.311 115.311 116.458 -1.147 19511 2080 1 7 . 1 1 28 28 CYS HA H 28 4.553 4.553 4.080 0.473 19511 2081 1 7 . 1 1 28 28 CYS CA C 28 54.270 54.270 62.093 -7.823 19511 2082 1 7 . 1 1 28 28 CYS CB C 28 39.551 39.551 29.049 10.502 19511 2083 1 7 . 1 1 28 28 CYS H H 28 7.470 7.470 7.837 -0.367 19511 2084 1 7 . 1 1 29 29 LYS N N 29 122.013 122.013 118.942 3.071 19511 2085 1 7 . 1 1 29 29 LYS HA H 29 4.412 4.412 4.133 0.279 19511 2086 1 7 . 1 1 29 29 LYS CA C 29 53.840 53.840 54.444 -0.605 19511 2087 1 7 . 1 1 29 29 LYS CB C 29 32.448 32.448 31.247 1.201 19511 2088 1 7 . 1 1 29 29 LYS H H 29 8.648 8.648 7.987 0.661 19511 2089 1 7 . 1 1 30 30 LYS N N 30 117.519 117.519 124.171 -6.652 19511 2090 1 7 . 1 1 30 30 LYS HA H 30 3.837 3.837 2.816 1.021 19511 2091 1 7 . 1 1 30 30 LYS CA C 30 53.748 53.748 56.946 -3.198 19511 2092 1 7 . 1 1 30 30 LYS CB C 30 30.195 30.195 32.162 -1.967 19511 2093 1 7 . 1 1 30 30 LYS H H 30 7.887 7.887 8.188 -0.301 19511 2094 1 7 . 1 1 31 31 TYR N N 31 112.770 112.770 111.548 1.222 19511 2095 1 7 . 1 1 31 31 TYR HA H 31 4.591 4.591 4.694 -0.103 19511 2096 1 7 . 1 1 31 31 TYR CA C 31 53.415 53.415 54.752 -1.337 19511 2097 1 7 . 1 1 31 31 TYR CB C 31 39.905 39.905 40.047 -0.142 19511 2098 1 7 . 1 1 31 31 TYR H H 31 7.368 7.368 6.844 0.524 19511 2099 1 7 . 1 1 32 32 LEU N N 32 120.286 120.286 122.252 -1.966 19511 2100 1 7 . 1 1 32 32 LEU HA H 32 4.766 4.766 4.563 0.203 19511 2101 1 7 . 1 1 32 32 LEU CA C 32 50.290 50.290 53.444 -3.155 19511 2102 1 7 . 1 1 32 32 LEU CB C 32 42.846 42.846 43.778 -0.932 19511 2103 1 7 . 1 1 32 32 LEU H H 32 8.442 8.442 8.245 0.197 19511 2104 1 7 . 1 1 33 33 SER N N 33 120.490 120.490 118.579 1.911 19511 2105 1 7 . 1 1 33 33 SER HA H 33 4.045 4.045 4.578 -0.533 19511 2106 1 7 . 1 1 33 33 SER CA C 33 54.957 54.957 56.581 -1.625 19511 2107 1 7 . 1 1 33 33 SER CB C 33 63.875 63.875 62.646 1.229 19511 2108 1 7 . 1 1 33 33 SER H H 33 9.439 9.439 8.473 0.966 19511 2109 1 7 . 1 1 34 34 LEU N N 34 121.725 121.725 127.661 -5.936 19511 2110 1 7 . 1 1 34 34 LEU HA H 34 4.059 4.059 3.889 0.170 19511 2111 1 7 . 1 1 34 34 LEU CA C 34 56.683 56.683 58.092 -1.409 19511 2112 1 7 . 1 1 34 34 LEU CB C 34 38.920 38.920 40.329 -1.409 19511 2113 1 7 . 1 1 34 34 LEU H H 34 8.886 8.886 9.005 -0.119 19511 2114 1 7 . 1 1 35 35 THR N N 35 113.779 113.779 115.210 -1.431 19511 2115 1 7 . 1 1 35 35 THR HA H 35 4.047 4.047 3.954 0.093 19511 2116 1 7 . 1 1 35 35 THR CA C 35 63.322 63.322 65.600 -2.277 19511 2117 1 7 . 1 1 35 35 THR CB C 35 65.973 65.973 68.570 -2.597 19511 2118 1 7 . 1 1 35 35 THR H H 35 8.142 8.142 8.214 -0.072 19511 2119 1 7 . 1 1 36 36 GLU N N 36 122.728 122.728 119.573 3.155 19511 2120 1 7 . 1 1 36 36 GLU HA H 36 4.036 4.036 4.082 -0.046 19511 2121 1 7 . 1 1 36 36 GLU CA C 36 56.454 56.454 58.972 -2.518 19511 2122 1 7 . 1 1 36 36 GLU CB C 36 27.949 27.949 29.021 -1.073 19511 2123 1 7 . 1 1 36 36 GLU H H 36 7.658 7.658 8.087 -0.429 19511 2124 1 7 . 1 1 37 37 ARG N N 37 118.862 118.862 120.323 -1.461 19511 2125 1 7 . 1 1 37 37 ARG HA H 37 3.842 3.842 4.152 -0.310 19511 2126 1 7 . 1 1 37 37 ARG CA C 37 57.537 57.537 59.292 -1.755 19511 2127 1 7 . 1 1 37 37 ARG CB C 37 28.496 28.496 30.296 -1.800 19511 2128 1 7 . 1 1 37 37 ARG H H 37 8.762 8.762 7.973 0.789 19511 2129 1 7 . 1 1 38 38 SER N N 38 113.126 113.126 114.464 -1.338 19511 2130 1 7 . 1 1 38 38 SER HA H 38 4.039 4.039 4.363 -0.324 19511 2131 1 7 . 1 1 38 38 SER CA C 38 60.349 60.349 60.527 -0.178 19511 2132 1 7 . 1 1 38 38 SER CB C 38 65.383 65.383 62.843 2.540 19511 2133 1 7 . 1 1 38 38 SER H H 38 7.989 7.989 7.710 0.279 19511 2134 1 7 . 1 1 39 39 GLN N N 39 121.461 121.461 122.601 -1.140 19511 2135 1 7 . 1 1 39 39 GLN HA H 39 4.176 4.176 3.970 0.206 19511 2136 1 7 . 1 1 39 39 GLN CA C 39 56.766 56.766 59.116 -2.350 19511 2137 1 7 . 1 1 39 39 GLN CB C 39 25.985 25.985 28.737 -2.752 19511 2138 1 7 . 1 1 39 39 GLN H H 39 8.017 8.017 7.677 0.340 19511 2139 1 7 . 1 1 40 40 ILE N N 40 121.303 121.303 119.522 1.781 19511 2140 1 7 . 1 1 40 40 ILE HA H 40 3.943 3.943 3.581 0.362 19511 2141 1 7 . 1 1 40 40 ILE CA C 40 62.170 62.170 65.314 -3.144 19511 2142 1 7 . 1 1 40 40 ILE CB C 40 35.984 35.984 37.542 -1.558 19511 2143 1 7 . 1 1 40 40 ILE H H 40 8.290 8.290 7.962 0.328 19511 2144 1 7 . 1 1 41 41 ALA N N 41 121.610 121.610 120.882 0.728 19511 2145 1 7 . 1 1 41 41 ALA HA H 41 3.757 3.757 3.880 -0.123 19511 2146 1 7 . 1 1 41 41 ALA CA C 41 53.812 53.812 55.198 -1.386 19511 2147 1 7 . 1 1 41 41 ALA CB C 41 15.288 15.288 18.166 -2.878 19511 2148 1 7 . 1 1 41 41 ALA H H 41 8.201 8.201 7.675 0.526 19511 2149 1 7 . 1 1 42 42 HIS N N 42 114.498 114.498 115.243 -0.745 19511 2150 1 7 . 1 1 42 42 HIS HA H 42 3.751 3.751 4.504 -0.753 19511 2151 1 7 . 1 1 42 42 HIS CA C 42 53.713 53.713 56.231 -2.518 19511 2152 1 7 . 1 1 42 42 HIS CB C 42 25.282 25.282 30.360 -5.078 19511 2153 1 7 . 1 1 42 42 HIS H H 42 8.136 8.136 7.796 0.340 19511 2154 1 7 . 1 1 43 43 ALA N N 43 121.763 121.763 122.414 -0.651 19511 2155 1 7 . 1 1 43 43 ALA HA H 43 4.118 4.118 4.149 -0.031 19511 2156 1 7 . 1 1 43 43 ALA CA C 43 52.521 52.521 54.021 -1.500 19511 2157 1 7 . 1 1 43 43 ALA CB C 43 16.046 16.046 19.498 -3.452 19511 2158 1 7 . 1 1 43 43 ALA H H 43 8.181 8.181 7.910 0.271 19511 2159 1 7 . 1 1 44 44 LEU N N 44 114.063 114.063 118.925 -4.862 19511 2160 1 7 . 1 1 44 44 LEU HA H 44 4.416 4.416 4.219 0.197 19511 2161 1 7 . 1 1 44 44 LEU CA C 44 51.814 51.814 56.172 -4.358 19511 2162 1 7 . 1 1 44 44 LEU CB C 44 40.181 40.181 43.149 -2.968 19511 2163 1 7 . 1 1 44 44 LEU H H 44 8.016 8.016 8.114 -0.098 19511 2164 1 7 . 1 1 45 45 LYS N N 45 116.933 116.933 113.612 3.321 19511 2165 1 7 . 1 1 45 45 LYS HA H 45 4.026 4.026 4.307 -0.281 19511 2166 1 7 . 1 1 45 45 LYS CA C 45 54.887 54.887 56.304 -1.417 19511 2167 1 7 . 1 1 45 45 LYS CB C 45 26.031 26.031 31.884 -5.853 19511 2168 1 7 . 1 1 45 45 LYS H H 45 7.867 7.867 8.017 -0.150 19511 2169 1 7 . 1 1 46 46 LEU N N 46 119.776 119.776 120.967 -1.191 19511 2170 1 7 . 1 1 46 46 LEU HA H 46 4.937 4.937 4.409 0.528 19511 2171 1 7 . 1 1 46 46 LEU CA C 46 49.983 49.983 54.851 -4.868 19511 2172 1 7 . 1 1 46 46 LEU CB C 46 45.389 45.389 42.598 2.791 19511 2173 1 7 . 1 1 46 46 LEU H H 46 8.517 8.517 7.533 0.984 19511 2174 1 7 . 1 1 47 47 SER N N 47 114.945 114.945 114.335 0.610 19511 2175 1 7 . 1 1 47 47 SER HA H 47 4.856 4.856 4.603 0.253 19511 2176 1 7 . 1 1 47 47 SER CA C 47 54.112 54.112 56.946 -2.834 19511 2177 1 7 . 1 1 47 47 SER CB C 47 62.635 62.635 63.890 -1.255 19511 2178 1 7 . 1 1 47 47 SER H H 47 9.225 9.225 8.532 0.693 19511 2179 1 7 . 1 1 48 48 GLU N N 48 122.216 122.216 129.485 -7.269 19511 2180 1 7 . 1 1 48 48 GLU HA H 48 3.778 3.778 3.977 -0.199 19511 2181 1 7 . 1 1 48 48 GLU CA C 48 58.893 58.893 59.710 -0.817 19511 2182 1 7 . 1 1 48 48 GLU CB C 48 27.002 27.002 29.642 -2.640 19511 2183 1 7 . 1 1 48 48 GLU H H 48 9.278 9.278 9.154 0.124 19511 2184 1 7 . 1 1 49 49 VAL N N 49 118.235 118.235 120.135 -1.900 19511 2185 1 7 . 1 1 49 49 VAL HA H 49 3.854 3.854 3.706 0.148 19511 2186 1 7 . 1 1 49 49 VAL CA C 49 63.808 63.808 65.842 -2.034 19511 2187 1 7 . 1 1 49 49 VAL CB C 49 29.556 29.556 31.859 -2.303 19511 2188 1 7 . 1 1 49 49 VAL H H 49 7.993 7.993 7.870 0.123 19511 2189 1 7 . 1 1 50 50 GLN N N 50 119.879 119.879 118.610 1.269 19511 2190 1 7 . 1 1 50 50 GLN HA H 50 4.296 4.296 3.951 0.345 19511 2191 1 7 . 1 1 50 50 GLN CA C 50 57.495 57.495 58.575 -1.080 19511 2192 1 7 . 1 1 50 50 GLN CB C 50 27.381 27.381 28.225 -0.844 19511 2193 1 7 . 1 1 50 50 GLN H H 50 7.705 7.705 7.675 0.030 19511 2194 1 7 . 1 1 51 51 VAL N N 51 117.905 117.905 119.555 -1.650 19511 2195 1 7 . 1 1 51 51 VAL HA H 51 3.818 3.818 3.764 0.054 19511 2196 1 7 . 1 1 51 51 VAL CA C 51 64.839 64.839 66.743 -1.905 19511 2197 1 7 . 1 1 51 51 VAL CB C 51 29.968 29.968 31.792 -1.824 19511 2198 1 7 . 1 1 51 51 VAL H H 51 7.629 7.629 8.260 -0.631 19511 2199 1 7 . 1 1 52 52 LYS N N 52 120.669 120.669 117.885 2.784 19511 2200 1 7 . 1 1 52 52 LYS HA H 52 4.168 4.168 4.025 0.143 19511 2201 1 7 . 1 1 52 52 LYS CA C 52 57.489 57.489 58.811 -1.322 19511 2202 1 7 . 1 1 52 52 LYS CB C 52 30.473 30.473 31.940 -1.467 19511 2203 1 7 . 1 1 52 52 LYS H H 52 8.802 8.802 8.137 0.665 19511 2204 1 7 . 1 1 53 53 ILE N N 53 120.041 120.041 117.262 2.779 19511 2205 1 7 . 1 1 53 53 ILE HA H 53 3.710 3.710 3.981 -0.271 19511 2206 1 7 . 1 1 53 53 ILE CA C 53 61.549 61.549 62.826 -1.277 19511 2207 1 7 . 1 1 53 53 ILE CB C 53 35.022 35.022 39.110 -4.088 19511 2208 1 7 . 1 1 53 53 ILE H H 53 8.711 8.711 7.282 1.429 19511 2209 1 7 . 1 1 54 54 TRP N N 54 123.292 123.292 124.024 -0.732 19511 2210 1 7 . 1 1 54 54 TRP HA H 54 4.731 4.731 4.159 0.572 19511 2211 1 7 . 1 1 54 54 TRP CA C 54 60.105 60.105 61.349 -1.244 19511 2212 1 7 . 1 1 54 54 TRP CB C 54 26.108 26.108 29.759 -3.651 19511 2213 1 7 . 1 1 54 54 TRP H H 54 8.467 8.467 8.127 0.340 19511 2214 1 7 . 1 1 55 55 PHE N N 55 118.279 118.279 114.509 3.770 19511 2215 1 7 . 1 1 55 55 PHE HA H 55 3.801 3.801 4.045 -0.244 19511 2216 1 7 . 1 1 55 55 PHE CA C 55 61.097 61.097 58.342 2.755 19511 2217 1 7 . 1 1 55 55 PHE CB C 55 36.812 36.812 38.071 -1.259 19511 2218 1 7 . 1 1 55 55 PHE H H 55 8.923 8.923 7.557 1.366 19511 2219 1 7 . 1 1 56 56 GLN N N 56 117.830 117.830 121.584 -3.754 19511 2220 1 7 . 1 1 56 56 GLN HA H 56 4.036 4.036 3.914 0.122 19511 2221 1 7 . 1 1 56 56 GLN CA C 56 57.329 57.329 59.138 -1.809 19511 2222 1 7 . 1 1 56 56 GLN CB C 56 25.312 25.312 28.055 -2.743 19511 2223 1 7 . 1 1 56 56 GLN H H 56 7.994 7.994 7.671 0.323 19511 2224 1 7 . 1 1 57 57 ASN N N 57 119.840 119.840 117.747 2.093 19511 2225 1 7 . 1 1 57 57 ASN HA H 57 4.632 4.632 4.298 0.334 19511 2226 1 7 . 1 1 57 57 ASN CA C 57 55.637 55.637 56.479 -0.842 19511 2227 1 7 . 1 1 57 57 ASN CB C 57 35.824 35.824 38.250 -2.426 19511 2228 1 7 . 1 1 57 57 ASN H H 57 8.715 8.715 7.741 0.974 19511 2229 1 7 . 1 1 58 58 ARG N N 58 125.366 125.366 119.344 6.022 19511 2230 1 7 . 1 1 58 58 ARG HA H 58 3.656 3.656 4.028 -0.372 19511 2231 1 7 . 1 1 58 58 ARG CA C 58 53.865 53.865 58.088 -4.223 19511 2232 1 7 . 1 1 58 58 ARG CB C 58 25.436 25.436 30.352 -4.916 19511 2233 1 7 . 1 1 58 58 ARG H H 58 8.806 8.806 7.920 0.886 19511 2234 1 7 . 1 1 59 59 ARG N N 59 120.172 120.172 117.580 2.592 19511 2235 1 7 . 1 1 59 59 ARG CB C 59 29.582 29.582 31.534 -1.952 19511 2236 1 7 . 1 1 59 59 ARG H H 59 8.345 8.345 7.924 0.421 19511 2237 1 7 . 1 1 60 60 ALA N N 60 122.418 122.418 121.006 1.412 19511 2238 1 7 . 1 1 60 60 ALA HA H 60 4.420 4.420 4.676 -0.256 19511 2239 1 7 . 1 1 60 60 ALA CA C 60 53.005 53.005 52.710 0.295 19511 2240 1 7 . 1 1 60 60 ALA CB C 60 15.567 15.567 19.521 -3.954 19511 2241 1 7 . 1 1 60 60 ALA H H 60 7.587 7.587 8.187 -0.600 19511 2242 1 7 . 1 1 61 61 LYS N N 61 119.912 119.912 120.024 -0.112 19511 2243 1 7 . 1 1 61 61 LYS HA H 61 4.003 4.003 3.826 0.177 19511 2244 1 7 . 1 1 61 61 LYS CA C 61 57.164 57.164 59.230 -2.066 19511 2245 1 7 . 1 1 61 61 LYS CB C 61 30.390 30.390 31.880 -1.490 19511 2246 1 7 . 1 1 61 61 LYS H H 61 7.856 7.856 7.835 0.021 19511 2247 1 7 . 1 1 62 62 TRP N N 62 119.782 119.782 116.882 2.900 19511 2248 1 7 . 1 1 62 62 TRP HA H 62 4.535 4.535 4.573 -0.038 19511 2249 1 7 . 1 1 62 62 TRP CA C 62 57.359 57.359 59.049 -1.690 19511 2250 1 7 . 1 1 62 62 TRP CB C 62 27.020 27.020 29.121 -2.101 19511 2251 1 7 . 1 1 62 62 TRP H H 62 8.265 8.265 7.495 0.770 19511 2252 1 7 . 1 1 63 63 LYS N N 63 117.139 117.139 119.703 -2.564 19511 2253 1 7 . 1 1 63 63 LYS HA H 63 3.713 3.713 4.071 -0.358 19511 2254 1 7 . 1 1 63 63 LYS CA C 63 56.518 56.518 59.105 -2.587 19511 2255 1 7 . 1 1 63 63 LYS CB C 63 30.224 30.224 32.079 -1.855 19511 2256 1 7 . 1 1 63 63 LYS H H 63 8.262 8.262 8.047 0.215 19511 2257 1 7 . 1 1 64 64 ARG N N 64 118.868 118.868 116.442 2.426 19511 2258 1 7 . 1 1 64 64 ARG HA H 64 4.192 4.192 4.162 0.030 19511 2259 1 7 . 1 1 64 64 ARG CA C 64 56.249 56.249 57.662 -1.413 19511 2260 1 7 . 1 1 64 64 ARG CB C 64 28.227 28.227 30.141 -1.914 19511 2261 1 7 . 1 1 64 64 ARG H H 64 7.737 7.737 8.247 -0.510 19511 2262 1 7 . 1 1 65 65 ILE N N 65 119.744 119.744 119.096 0.648 19511 2263 1 7 . 1 1 65 65 ILE HA H 65 4.012 4.012 4.082 -0.070 19511 2264 1 7 . 1 1 65 65 ILE CA C 65 60.187 60.187 63.321 -3.134 19511 2265 1 7 . 1 1 65 65 ILE CB C 65 35.588 35.588 38.739 -3.151 19511 2266 1 7 . 1 1 65 65 ILE H H 65 8.010 8.010 7.854 0.156 19511 2267 1 7 . 1 1 66 66 LYS N N 66 122.316 122.316 121.138 1.178 19511 2268 1 7 . 1 1 66 66 LYS HA H 66 4.106 4.106 4.234 -0.128 19511 2269 1 7 . 1 1 66 66 LYS CA C 66 54.657 54.657 56.730 -2.073 19511 2270 1 7 . 1 1 66 66 LYS CB C 66 29.634 29.634 31.816 -2.182 19511 2271 1 7 . 1 1 66 66 LYS H H 66 8.055 8.055 8.237 -0.182 19511 2272 1 7 . 1 1 67 67 ALA N N 67 122.520 122.520 121.537 0.983 19511 2273 1 7 . 1 1 67 67 ALA HA H 67 4.291 4.291 4.452 -0.161 19511 2274 1 7 . 1 1 67 67 ALA CA C 67 50.463 50.463 51.893 -1.430 19511 2275 1 7 . 1 1 67 67 ALA CB C 67 16.535 16.535 20.009 -3.474 19511 2276 1 7 . 1 1 67 67 ALA H H 67 7.846 7.846 7.604 0.242 19511 2277 1 7 . 1 1 68 68 GLY N N 68 106.371 106.371 110.965 -4.594 19511 2278 1 7 . 1 1 68 68 GLY CA C 68 42.991 42.991 44.410 -1.419 19511 2279 1 7 . 1 1 68 68 GLY H H 68 8.053 8.053 8.304 -0.251 19511 2280 1 7 . 1 1 69 69 ASN N N 69 118.766 118.766 119.364 -0.598 19511 2281 1 7 . 1 1 69 69 ASN HA H 69 4.832 4.832 4.800 0.032 19511 2282 1 7 . 1 1 69 69 ASN CA C 69 50.749 50.749 53.097 -2.348 19511 2283 1 7 . 1 1 69 69 ASN CB C 69 36.737 36.737 39.357 -2.620 19511 2284 1 7 . 1 1 69 69 ASN H H 69 8.166 8.166 8.326 -0.160 19511 2285 1 7 . 1 1 70 70 VAL N N 70 119.471 119.471 118.281 1.190 19511 2286 1 7 . 1 1 70 70 VAL HA H 70 4.265 4.265 4.255 0.010 19511 2287 1 7 . 1 1 70 70 VAL CA C 70 59.765 59.765 61.585 -1.820 19511 2288 1 7 . 1 1 70 70 VAL CB C 70 30.482 30.482 33.214 -2.732 19511 2289 1 7 . 1 1 70 70 VAL H H 70 8.087 8.087 8.282 -0.195 19511 2290 1 8 . 1 1 3 3 PRO HA H 3 4.499 4.499 4.378 0.121 19511 2291 1 8 . 1 1 3 3 PRO CA C 3 61.077 61.077 63.737 -2.660 19511 2292 1 8 . 1 1 3 3 PRO CB C 3 29.635 29.635 32.384 -2.749 19511 2293 1 8 . 1 1 4 4 GLY N N 4 109.482 109.482 106.017 3.465 19511 2294 1 8 . 1 1 4 4 GLY CA C 4 42.963 42.963 44.390 -1.427 19511 2295 1 8 . 1 1 4 4 GLY H H 4 8.521 8.521 7.771 0.750 19511 2296 1 8 . 1 1 5 5 GLY N N 5 108.605 108.605 107.189 1.416 19511 2297 1 8 . 1 1 5 5 GLY CA C 5 42.869 42.869 44.434 -1.565 19511 2298 1 8 . 1 1 5 5 GLY H H 5 8.245 8.245 7.982 0.263 19511 2299 1 8 . 1 1 6 6 LYS N N 6 120.900 120.900 120.884 0.016 19511 2300 1 8 . 1 1 6 6 LYS HA H 6 4.454 4.454 4.819 -0.365 19511 2301 1 8 . 1 1 6 6 LYS CA C 6 53.594 53.594 55.693 -2.099 19511 2302 1 8 . 1 1 6 6 LYS CB C 6 31.034 31.034 34.381 -3.347 19511 2303 1 8 . 1 1 6 6 LYS H H 6 8.201 8.201 8.751 -0.550 19511 2304 1 8 . 1 1 7 7 SER N N 7 118.055 118.055 118.233 -0.178 19511 2305 1 8 . 1 1 7 7 SER HA H 7 4.533 4.533 5.020 -0.487 19511 2306 1 8 . 1 1 7 7 SER CA C 7 55.637 55.637 57.654 -2.017 19511 2307 1 8 . 1 1 7 7 SER CB C 7 61.343 61.343 64.143 -2.800 19511 2308 1 8 . 1 1 7 7 SER H H 7 8.425 8.425 8.552 -0.127 19511 2309 1 8 . 1 1 8 8 ARG HA H 8 4.547 4.547 4.371 0.176 19511 2310 1 8 . 1 1 8 8 ARG CA C 8 53.146 53.146 55.878 -2.732 19511 2311 1 8 . 1 1 8 8 ARG CB C 8 29.317 29.317 31.789 -2.472 19511 2312 1 8 . 1 1 9 9 ARG N N 9 124.954 124.954 124.935 0.019 19511 2313 1 8 . 1 1 9 9 ARG HA H 9 4.321 4.321 4.309 0.012 19511 2314 1 8 . 1 1 9 9 ARG CA C 9 54.049 54.049 55.647 -1.598 19511 2315 1 8 . 1 1 9 9 ARG CB C 9 28.705 28.705 28.766 -0.061 19511 2316 1 8 . 1 1 9 9 ARG H H 9 9.037 9.037 8.751 0.286 19511 2317 1 8 . 1 1 10 10 ARG N N 10 122.493 122.493 123.092 -0.599 19511 2318 1 8 . 1 1 10 10 ARG HA H 10 4.322 4.322 4.290 0.032 19511 2319 1 8 . 1 1 10 10 ARG CA C 10 53.971 53.971 56.158 -2.187 19511 2320 1 8 . 1 1 10 10 ARG CB C 10 28.386 28.386 29.635 -1.249 19511 2321 1 8 . 1 1 10 10 ARG H H 10 8.350 8.350 8.032 0.318 19511 2322 1 8 . 1 1 11 11 ARG N N 11 123.361 123.361 123.923 -0.562 19511 2323 1 8 . 1 1 11 11 ARG HA H 11 4.312 4.312 4.288 0.024 19511 2324 1 8 . 1 1 11 11 ARG CA C 11 53.146 53.146 57.049 -3.903 19511 2325 1 8 . 1 1 11 11 ARG CB C 11 30.162 30.162 30.489 -0.327 19511 2326 1 8 . 1 1 11 11 ARG H H 11 8.508 8.508 8.410 0.098 19511 2327 1 8 . 1 1 12 12 THR N N 12 126.287 126.287 112.693 13.594 19511 2328 1 8 . 1 1 12 12 THR HA H 12 3.790 3.790 4.360 -0.570 19511 2329 1 8 . 1 1 12 12 THR CA C 12 62.948 62.948 60.926 2.022 19511 2330 1 8 . 1 1 12 12 THR CB C 12 66.854 66.854 71.635 -4.781 19511 2331 1 8 . 1 1 12 12 THR H H 12 8.068 8.068 7.354 0.714 19511 2332 1 8 . 1 1 13 13 ALA N N 13 129.745 129.745 125.584 4.161 19511 2333 1 8 . 1 1 13 13 ALA HA H 13 4.664 4.664 4.353 0.311 19511 2334 1 8 . 1 1 13 13 ALA CA C 13 47.602 47.602 51.616 -4.014 19511 2335 1 8 . 1 1 13 13 ALA CB C 13 16.412 16.412 17.705 -1.293 19511 2336 1 8 . 1 1 13 13 ALA H H 13 8.317 8.317 8.164 0.153 19511 2337 1 8 . 1 1 14 14 PHE N N 14 124.589 124.589 117.681 6.908 19511 2338 1 8 . 1 1 14 14 PHE HA H 14 4.708 4.708 4.689 0.019 19511 2339 1 8 . 1 1 14 14 PHE CA C 14 56.288 56.288 54.862 1.425 19511 2340 1 8 . 1 1 14 14 PHE CB C 14 38.229 38.229 40.661 -2.433 19511 2341 1 8 . 1 1 14 14 PHE H H 14 8.594 8.594 7.243 1.351 19511 2342 1 8 . 1 1 15 15 THR N N 15 113.746 113.746 110.704 3.042 19511 2343 1 8 . 1 1 15 15 THR HA H 15 4.575 4.575 4.664 -0.089 19511 2344 1 8 . 1 1 15 15 THR CA C 15 58.027 58.027 59.734 -1.707 19511 2345 1 8 . 1 1 15 15 THR CB C 15 68.256 68.256 71.625 -3.369 19511 2346 1 8 . 1 1 15 15 THR H H 15 9.053 9.053 8.037 1.016 19511 2347 1 8 . 1 1 16 16 SER N N 16 116.624 116.624 115.431 1.193 19511 2348 1 8 . 1 1 16 16 SER HA H 16 4.713 4.713 4.300 0.413 19511 2349 1 8 . 1 1 16 16 SER CA C 16 59.750 59.750 61.107 -1.357 19511 2350 1 8 . 1 1 16 16 SER CB C 16 59.639 59.639 62.981 -3.342 19511 2351 1 8 . 1 1 16 16 SER H H 16 9.092 9.092 8.585 0.507 19511 2352 1 8 . 1 1 17 17 GLU N N 17 120.287 120.287 122.134 -1.847 19511 2353 1 8 . 1 1 17 17 GLU HA H 17 4.081 4.081 4.110 -0.029 19511 2354 1 8 . 1 1 17 17 GLU CA C 17 57.565 57.565 59.244 -1.679 19511 2355 1 8 . 1 1 17 17 GLU CB C 17 26.998 26.998 29.659 -2.661 19511 2356 1 8 . 1 1 17 17 GLU H H 17 8.560 8.560 8.078 0.482 19511 2357 1 8 . 1 1 18 18 GLN N N 18 118.169 118.169 117.232 0.937 19511 2358 1 8 . 1 1 18 18 GLN HA H 18 3.898 3.898 4.014 -0.116 19511 2359 1 8 . 1 1 18 18 GLN CA C 18 56.609 56.609 57.662 -1.053 19511 2360 1 8 . 1 1 18 18 GLN CB C 18 32.647 32.647 28.642 4.005 19511 2361 1 8 . 1 1 18 18 GLN H H 18 7.769 7.769 7.667 0.102 19511 2362 1 8 . 1 1 19 19 LEU N N 19 116.929 116.929 118.453 -1.524 19511 2363 1 8 . 1 1 19 19 LEU HA H 19 3.655 3.655 4.128 -0.473 19511 2364 1 8 . 1 1 19 19 LEU CA C 19 55.390 55.390 54.320 1.070 19511 2365 1 8 . 1 1 19 19 LEU CB C 19 39.414 39.414 41.794 -2.380 19511 2366 1 8 . 1 1 19 19 LEU H H 19 8.227 8.227 7.160 1.067 19511 2367 1 8 . 1 1 20 20 LEU N N 20 118.864 118.864 121.282 -2.418 19511 2368 1 8 . 1 1 20 20 LEU HA H 20 4.034 4.034 3.782 0.252 19511 2369 1 8 . 1 1 20 20 LEU CA C 20 55.765 55.765 59.197 -3.432 19511 2370 1 8 . 1 1 20 20 LEU CB C 20 39.758 39.758 41.508 -1.750 19511 2371 1 8 . 1 1 20 20 LEU H H 20 8.037 8.037 7.896 0.141 19511 2372 1 8 . 1 1 21 21 GLU N N 21 118.147 118.147 118.120 0.027 19511 2373 1 8 . 1 1 21 21 GLU HA H 21 4.159 4.159 3.949 0.210 19511 2374 1 8 . 1 1 21 21 GLU CA C 21 56.062 56.062 59.565 -3.503 19511 2375 1 8 . 1 1 21 21 GLU CB C 21 27.576 27.576 29.049 -1.473 19511 2376 1 8 . 1 1 21 21 GLU H H 21 7.491 7.491 8.297 -0.806 19511 2377 1 8 . 1 1 22 22 LEU N N 22 122.316 122.316 118.080 4.236 19511 2378 1 8 . 1 1 22 22 LEU HA H 22 3.534 3.534 3.819 -0.285 19511 2379 1 8 . 1 1 22 22 LEU CA C 22 56.091 56.091 57.244 -1.153 19511 2380 1 8 . 1 1 22 22 LEU CB C 22 35.557 35.557 41.519 -5.962 19511 2381 1 8 . 1 1 22 22 LEU H H 22 8.254 8.254 8.139 0.115 19511 2382 1 8 . 1 1 23 23 GLU N N 23 117.645 117.645 116.119 1.526 19511 2383 1 8 . 1 1 23 23 GLU HA H 23 4.319 4.319 4.347 -0.028 19511 2384 1 8 . 1 1 23 23 GLU CA C 23 56.627 56.627 58.295 -1.668 19511 2385 1 8 . 1 1 23 23 GLU CB C 23 26.800 26.800 30.118 -3.318 19511 2386 1 8 . 1 1 23 23 GLU H H 23 8.084 8.084 7.639 0.445 19511 2387 1 8 . 1 1 24 24 LYS N N 24 120.989 120.989 119.505 1.484 19511 2388 1 8 . 1 1 24 24 LYS HA H 24 4.088 4.088 4.167 -0.079 19511 2389 1 8 . 1 1 24 24 LYS CA C 24 57.392 57.392 59.075 -1.683 19511 2390 1 8 . 1 1 24 24 LYS H H 24 7.884 7.884 7.694 0.190 19511 2391 1 8 . 1 1 25 25 GLU N N 25 119.686 119.686 119.345 0.341 19511 2392 1 8 . 1 1 25 25 GLU HA H 25 4.325 4.325 4.169 0.156 19511 2393 1 8 . 1 1 25 25 GLU CA C 25 56.529 56.529 58.507 -1.978 19511 2394 1 8 . 1 1 25 25 GLU CB C 25 26.344 26.344 28.910 -2.566 19511 2395 1 8 . 1 1 25 25 GLU H H 25 8.179 8.179 8.472 -0.293 19511 2396 1 8 . 1 1 26 26 PHE N N 26 121.229 121.229 117.525 3.704 19511 2397 1 8 . 1 1 26 26 PHE HA H 26 4.769 4.769 4.793 -0.024 19511 2398 1 8 . 1 1 26 26 PHE CA C 26 57.746 57.746 59.506 -1.760 19511 2399 1 8 . 1 1 26 26 PHE CB C 26 41.554 41.554 39.058 2.496 19511 2400 1 8 . 1 1 26 26 PHE H H 26 8.896 8.896 8.306 0.590 19511 2401 1 8 . 1 1 27 27 HIS N N 27 115.789 115.789 117.218 -1.429 19511 2402 1 8 . 1 1 27 27 HIS HA H 27 4.069 4.069 4.550 -0.481 19511 2403 1 8 . 1 1 27 27 HIS CA C 27 56.598 56.598 58.870 -2.272 19511 2404 1 8 . 1 1 27 27 HIS CB C 27 27.235 27.235 31.082 -3.847 19511 2405 1 8 . 1 1 27 27 HIS H H 27 8.110 8.110 8.333 -0.223 19511 2406 1 8 . 1 1 28 28 CYS N N 28 115.311 115.311 116.149 -0.838 19511 2407 1 8 . 1 1 28 28 CYS HA H 28 4.553 4.553 4.472 0.081 19511 2408 1 8 . 1 1 28 28 CYS CA C 28 54.270 54.270 58.906 -4.636 19511 2409 1 8 . 1 1 28 28 CYS CB C 28 39.551 39.551 30.431 9.120 19511 2410 1 8 . 1 1 28 28 CYS H H 28 7.470 7.470 8.014 -0.544 19511 2411 1 8 . 1 1 29 29 LYS N N 29 122.013 122.013 119.804 2.209 19511 2412 1 8 . 1 1 29 29 LYS HA H 29 4.412 4.412 4.471 -0.059 19511 2413 1 8 . 1 1 29 29 LYS CA C 29 53.840 53.840 54.866 -1.026 19511 2414 1 8 . 1 1 29 29 LYS CB C 29 32.448 32.448 34.103 -1.655 19511 2415 1 8 . 1 1 29 29 LYS H H 29 8.648 8.648 7.527 1.121 19511 2416 1 8 . 1 1 30 30 LYS N N 30 117.519 117.519 119.462 -1.943 19511 2417 1 8 . 1 1 30 30 LYS HA H 30 3.837 3.837 3.646 0.191 19511 2418 1 8 . 1 1 30 30 LYS CA C 30 53.748 53.748 55.468 -1.720 19511 2419 1 8 . 1 1 30 30 LYS CB C 30 30.195 30.195 33.205 -3.010 19511 2420 1 8 . 1 1 30 30 LYS H H 30 7.887 7.887 8.309 -0.422 19511 2421 1 8 . 1 1 31 31 TYR N N 31 112.770 112.770 112.834 -0.064 19511 2422 1 8 . 1 1 31 31 TYR HA H 31 4.591 4.591 4.852 -0.261 19511 2423 1 8 . 1 1 31 31 TYR CA C 31 53.415 53.415 55.541 -2.126 19511 2424 1 8 . 1 1 31 31 TYR CB C 31 39.905 39.905 38.760 1.145 19511 2425 1 8 . 1 1 31 31 TYR H H 31 7.368 7.368 7.319 0.049 19511 2426 1 8 . 1 1 32 32 LEU N N 32 120.286 120.286 126.206 -5.920 19511 2427 1 8 . 1 1 32 32 LEU HA H 32 4.766 4.766 4.307 0.459 19511 2428 1 8 . 1 1 32 32 LEU CA C 32 50.290 50.290 55.792 -5.503 19511 2429 1 8 . 1 1 32 32 LEU CB C 32 42.846 42.846 40.481 2.365 19511 2430 1 8 . 1 1 32 32 LEU H H 32 8.442 8.442 8.873 -0.431 19511 2431 1 8 . 1 1 33 33 SER N N 33 120.490 120.490 118.636 1.854 19511 2432 1 8 . 1 1 33 33 SER HA H 33 4.045 4.045 4.783 -0.738 19511 2433 1 8 . 1 1 33 33 SER CA C 33 54.957 54.957 57.195 -2.238 19511 2434 1 8 . 1 1 33 33 SER CB C 33 63.875 63.875 65.936 -2.061 19511 2435 1 8 . 1 1 33 33 SER H H 33 9.439 9.439 7.991 1.448 19511 2436 1 8 . 1 1 34 34 LEU N N 34 121.725 121.725 121.064 0.661 19511 2437 1 8 . 1 1 34 34 LEU HA H 34 4.059 4.059 4.023 0.036 19511 2438 1 8 . 1 1 34 34 LEU CA C 34 56.683 56.683 57.999 -1.316 19511 2439 1 8 . 1 1 34 34 LEU CB C 34 38.920 38.920 40.578 -1.658 19511 2440 1 8 . 1 1 34 34 LEU H H 34 8.886 8.886 8.887 -0.001 19511 2441 1 8 . 1 1 35 35 THR N N 35 113.779 113.779 113.364 0.415 19511 2442 1 8 . 1 1 35 35 THR HA H 35 4.047 4.047 4.425 -0.378 19511 2443 1 8 . 1 1 35 35 THR CA C 35 63.322 63.322 63.608 -0.286 19511 2444 1 8 . 1 1 35 35 THR CB C 35 65.973 65.973 69.748 -3.775 19511 2445 1 8 . 1 1 35 35 THR H H 35 8.142 8.142 8.137 0.005 19511 2446 1 8 . 1 1 36 36 GLU N N 36 122.728 122.728 120.999 1.729 19511 2447 1 8 . 1 1 36 36 GLU HA H 36 4.036 4.036 4.172 -0.136 19511 2448 1 8 . 1 1 36 36 GLU CA C 36 56.454 56.454 59.129 -2.675 19511 2449 1 8 . 1 1 36 36 GLU CB C 36 27.949 27.949 29.396 -1.447 19511 2450 1 8 . 1 1 36 36 GLU H H 36 7.658 7.658 8.343 -0.685 19511 2451 1 8 . 1 1 37 37 ARG N N 37 118.862 118.862 120.663 -1.801 19511 2452 1 8 . 1 1 37 37 ARG HA H 37 3.842 3.842 4.214 -0.372 19511 2453 1 8 . 1 1 37 37 ARG CA C 37 57.537 57.537 59.272 -1.735 19511 2454 1 8 . 1 1 37 37 ARG CB C 37 28.496 28.496 29.907 -1.411 19511 2455 1 8 . 1 1 37 37 ARG H H 37 8.762 8.762 8.487 0.275 19511 2456 1 8 . 1 1 38 38 SER N N 38 113.126 113.126 115.429 -2.303 19511 2457 1 8 . 1 1 38 38 SER HA H 38 4.039 4.039 4.085 -0.046 19511 2458 1 8 . 1 1 38 38 SER CA C 38 60.349 60.349 60.660 -0.311 19511 2459 1 8 . 1 1 38 38 SER CB C 38 65.383 65.383 62.900 2.483 19511 2460 1 8 . 1 1 38 38 SER H H 38 7.989 7.989 7.808 0.181 19511 2461 1 8 . 1 1 39 39 GLN N N 39 121.461 121.461 121.490 -0.029 19511 2462 1 8 . 1 1 39 39 GLN HA H 39 4.176 4.176 4.059 0.117 19511 2463 1 8 . 1 1 39 39 GLN CA C 39 56.766 56.766 58.908 -2.142 19511 2464 1 8 . 1 1 39 39 GLN CB C 39 25.985 25.985 28.607 -2.622 19511 2465 1 8 . 1 1 39 39 GLN H H 39 8.017 8.017 7.795 0.222 19511 2466 1 8 . 1 1 40 40 ILE N N 40 121.303 121.303 119.238 2.065 19511 2467 1 8 . 1 1 40 40 ILE HA H 40 3.943 3.943 3.708 0.235 19511 2468 1 8 . 1 1 40 40 ILE CA C 40 62.170 62.170 63.938 -1.768 19511 2469 1 8 . 1 1 40 40 ILE CB C 40 35.984 35.984 37.492 -1.508 19511 2470 1 8 . 1 1 40 40 ILE H H 40 8.290 8.290 7.468 0.822 19511 2471 1 8 . 1 1 41 41 ALA N N 41 121.610 121.610 121.538 0.072 19511 2472 1 8 . 1 1 41 41 ALA HA H 41 3.757 3.757 3.950 -0.193 19511 2473 1 8 . 1 1 41 41 ALA CA C 41 53.812 53.812 54.617 -0.805 19511 2474 1 8 . 1 1 41 41 ALA CB C 41 15.288 15.288 18.359 -3.071 19511 2475 1 8 . 1 1 41 41 ALA H H 41 8.201 8.201 7.639 0.562 19511 2476 1 8 . 1 1 42 42 HIS N N 42 114.498 114.498 112.648 1.850 19511 2477 1 8 . 1 1 42 42 HIS HA H 42 3.751 3.751 4.755 -1.004 19511 2478 1 8 . 1 1 42 42 HIS CA C 42 53.713 53.713 54.363 -0.650 19511 2479 1 8 . 1 1 42 42 HIS CB C 42 25.282 25.282 29.369 -4.088 19511 2480 1 8 . 1 1 42 42 HIS H H 42 8.136 8.136 7.805 0.331 19511 2481 1 8 . 1 1 43 43 ALA N N 43 121.763 121.763 121.413 0.350 19511 2482 1 8 . 1 1 43 43 ALA HA H 43 4.118 4.118 4.432 -0.314 19511 2483 1 8 . 1 1 43 43 ALA CA C 43 52.521 52.521 53.288 -0.768 19511 2484 1 8 . 1 1 43 43 ALA CB C 43 16.046 16.046 20.652 -4.606 19511 2485 1 8 . 1 1 43 43 ALA H H 43 8.181 8.181 7.952 0.229 19511 2486 1 8 . 1 1 44 44 LEU N N 44 114.063 114.063 119.529 -5.466 19511 2487 1 8 . 1 1 44 44 LEU HA H 44 4.416 4.416 4.182 0.234 19511 2488 1 8 . 1 1 44 44 LEU CA C 44 51.814 51.814 56.074 -4.260 19511 2489 1 8 . 1 1 44 44 LEU CB C 44 40.181 40.181 43.284 -3.103 19511 2490 1 8 . 1 1 44 44 LEU H H 44 8.016 8.016 8.043 -0.027 19511 2491 1 8 . 1 1 45 45 LYS N N 45 116.933 116.933 115.373 1.560 19511 2492 1 8 . 1 1 45 45 LYS HA H 45 4.026 4.026 4.446 -0.420 19511 2493 1 8 . 1 1 45 45 LYS CA C 45 54.887 54.887 56.153 -1.266 19511 2494 1 8 . 1 1 45 45 LYS CB C 45 26.031 26.031 32.634 -6.603 19511 2495 1 8 . 1 1 45 45 LYS H H 45 7.867 7.867 8.177 -0.310 19511 2496 1 8 . 1 1 46 46 LEU N N 46 119.776 119.776 119.428 0.348 19511 2497 1 8 . 1 1 46 46 LEU HA H 46 4.937 4.937 4.660 0.277 19511 2498 1 8 . 1 1 46 46 LEU CA C 46 49.983 49.983 54.214 -4.231 19511 2499 1 8 . 1 1 46 46 LEU CB C 46 45.389 45.389 43.525 1.864 19511 2500 1 8 . 1 1 46 46 LEU H H 46 8.517 8.517 8.042 0.475 19511 2501 1 8 . 1 1 47 47 SER N N 47 114.945 114.945 112.528 2.417 19511 2502 1 8 . 1 1 47 47 SER HA H 47 4.856 4.856 4.754 0.102 19511 2503 1 8 . 1 1 47 47 SER CA C 47 54.112 54.112 55.927 -1.815 19511 2504 1 8 . 1 1 47 47 SER CB C 47 62.635 62.635 64.548 -1.913 19511 2505 1 8 . 1 1 47 47 SER H H 47 9.225 9.225 8.176 1.049 19511 2506 1 8 . 1 1 48 48 GLU N N 48 122.216 122.216 125.883 -3.667 19511 2507 1 8 . 1 1 48 48 GLU HA H 48 3.778 3.778 4.023 -0.245 19511 2508 1 8 . 1 1 48 48 GLU CA C 48 58.893 58.893 59.553 -0.660 19511 2509 1 8 . 1 1 48 48 GLU CB C 48 27.002 27.002 29.653 -2.651 19511 2510 1 8 . 1 1 48 48 GLU H H 48 9.278 9.278 9.012 0.266 19511 2511 1 8 . 1 1 49 49 VAL N N 49 118.235 118.235 119.163 -0.928 19511 2512 1 8 . 1 1 49 49 VAL HA H 49 3.854 3.854 3.753 0.101 19511 2513 1 8 . 1 1 49 49 VAL CA C 49 63.808 63.808 65.302 -1.494 19511 2514 1 8 . 1 1 49 49 VAL CB C 49 29.556 29.556 31.810 -2.254 19511 2515 1 8 . 1 1 49 49 VAL H H 49 7.993 7.993 8.177 -0.184 19511 2516 1 8 . 1 1 50 50 GLN N N 50 119.879 119.879 118.002 1.877 19511 2517 1 8 . 1 1 50 50 GLN HA H 50 4.296 4.296 4.238 0.058 19511 2518 1 8 . 1 1 50 50 GLN CA C 50 57.495 57.495 57.908 -0.414 19511 2519 1 8 . 1 1 50 50 GLN CB C 50 27.381 27.381 29.288 -1.907 19511 2520 1 8 . 1 1 50 50 GLN H H 50 7.705 7.705 7.627 0.078 19511 2521 1 8 . 1 1 51 51 VAL N N 51 117.905 117.905 121.276 -3.371 19511 2522 1 8 . 1 1 51 51 VAL HA H 51 3.818 3.818 3.583 0.235 19511 2523 1 8 . 1 1 51 51 VAL CA C 51 64.839 64.839 66.471 -1.632 19511 2524 1 8 . 1 1 51 51 VAL CB C 51 29.968 29.968 31.491 -1.523 19511 2525 1 8 . 1 1 51 51 VAL H H 51 7.629 7.629 8.170 -0.541 19511 2526 1 8 . 1 1 52 52 LYS N N 52 120.669 120.669 118.752 1.917 19511 2527 1 8 . 1 1 52 52 LYS HA H 52 4.168 4.168 4.238 -0.070 19511 2528 1 8 . 1 1 52 52 LYS CA C 52 57.489 57.489 59.549 -2.060 19511 2529 1 8 . 1 1 52 52 LYS CB C 52 30.473 30.473 32.259 -1.786 19511 2530 1 8 . 1 1 52 52 LYS H H 52 8.802 8.802 8.085 0.717 19511 2531 1 8 . 1 1 53 53 ILE N N 53 120.041 120.041 117.098 2.943 19511 2532 1 8 . 1 1 53 53 ILE HA H 53 3.710 3.710 4.082 -0.372 19511 2533 1 8 . 1 1 53 53 ILE CA C 53 61.549 61.549 63.108 -1.559 19511 2534 1 8 . 1 1 53 53 ILE CB C 53 35.022 35.022 38.289 -3.267 19511 2535 1 8 . 1 1 53 53 ILE H H 53 8.711 8.711 7.473 1.238 19511 2536 1 8 . 1 1 54 54 TRP N N 54 123.292 123.292 124.182 -0.890 19511 2537 1 8 . 1 1 54 54 TRP HA H 54 4.731 4.731 4.264 0.467 19511 2538 1 8 . 1 1 54 54 TRP CA C 54 60.105 60.105 61.577 -1.472 19511 2539 1 8 . 1 1 54 54 TRP CB C 54 26.108 26.108 29.122 -3.014 19511 2540 1 8 . 1 1 54 54 TRP H H 54 8.467 8.467 7.670 0.797 19511 2541 1 8 . 1 1 55 55 PHE N N 55 118.279 118.279 115.271 3.008 19511 2542 1 8 . 1 1 55 55 PHE HA H 55 3.801 3.801 4.228 -0.427 19511 2543 1 8 . 1 1 55 55 PHE CA C 55 61.097 61.097 59.186 1.911 19511 2544 1 8 . 1 1 55 55 PHE CB C 55 36.812 36.812 37.705 -0.893 19511 2545 1 8 . 1 1 55 55 PHE H H 55 8.923 8.923 7.525 1.398 19511 2546 1 8 . 1 1 56 56 GLN N N 56 117.830 117.830 119.782 -1.952 19511 2547 1 8 . 1 1 56 56 GLN HA H 56 4.036 4.036 4.217 -0.181 19511 2548 1 8 . 1 1 56 56 GLN CA C 56 57.329 57.329 57.721 -0.392 19511 2549 1 8 . 1 1 56 56 GLN CB C 56 25.312 25.312 28.131 -2.819 19511 2550 1 8 . 1 1 56 56 GLN H H 56 7.994 7.994 7.972 0.022 19511 2551 1 8 . 1 1 57 57 ASN N N 57 119.840 119.840 115.993 3.847 19511 2552 1 8 . 1 1 57 57 ASN HA H 57 4.632 4.632 4.885 -0.253 19511 2553 1 8 . 1 1 57 57 ASN CA C 57 55.637 55.637 54.043 1.594 19511 2554 1 8 . 1 1 57 57 ASN CB C 57 35.824 35.824 39.724 -3.900 19511 2555 1 8 . 1 1 57 57 ASN H H 57 8.715 8.715 7.663 1.052 19511 2556 1 8 . 1 1 58 58 ARG N N 58 125.366 125.366 121.108 4.258 19511 2557 1 8 . 1 1 58 58 ARG HA H 58 3.656 3.656 4.201 -0.545 19511 2558 1 8 . 1 1 58 58 ARG CA C 58 53.865 53.865 57.613 -3.748 19511 2559 1 8 . 1 1 58 58 ARG CB C 58 25.436 25.436 29.922 -4.487 19511 2560 1 8 . 1 1 58 58 ARG H H 58 8.806 8.806 7.591 1.215 19511 2561 1 8 . 1 1 59 59 ARG N N 59 120.172 120.172 117.167 3.005 19511 2562 1 8 . 1 1 59 59 ARG CB C 59 29.582 29.582 30.009 -0.427 19511 2563 1 8 . 1 1 59 59 ARG H H 59 8.345 8.345 7.974 0.371 19511 2564 1 8 . 1 1 60 60 ALA N N 60 122.418 122.418 121.918 0.500 19511 2565 1 8 . 1 1 60 60 ALA HA H 60 4.420 4.420 4.409 0.011 19511 2566 1 8 . 1 1 60 60 ALA CA C 60 53.005 53.005 53.315 -0.310 19511 2567 1 8 . 1 1 60 60 ALA CB C 60 15.567 15.567 18.985 -3.418 19511 2568 1 8 . 1 1 60 60 ALA H H 60 7.587 7.587 7.474 0.113 19511 2569 1 8 . 1 1 61 61 LYS N N 61 119.912 119.912 119.635 0.277 19511 2570 1 8 . 1 1 61 61 LYS HA H 61 4.003 4.003 3.849 0.154 19511 2571 1 8 . 1 1 61 61 LYS CA C 61 57.164 57.164 59.369 -2.205 19511 2572 1 8 . 1 1 61 61 LYS CB C 61 30.390 30.390 31.888 -1.498 19511 2573 1 8 . 1 1 61 61 LYS H H 61 7.856 7.856 8.108 -0.252 19511 2574 1 8 . 1 1 62 62 TRP N N 62 119.782 119.782 115.495 4.287 19511 2575 1 8 . 1 1 62 62 TRP HA H 62 4.535 4.535 4.599 -0.064 19511 2576 1 8 . 1 1 62 62 TRP CA C 62 57.359 57.359 58.047 -0.688 19511 2577 1 8 . 1 1 62 62 TRP CB C 62 27.020 27.020 28.738 -1.718 19511 2578 1 8 . 1 1 62 62 TRP H H 62 8.265 8.265 7.576 0.689 19511 2579 1 8 . 1 1 63 63 LYS N N 63 117.139 117.139 120.681 -3.542 19511 2580 1 8 . 1 1 63 63 LYS HA H 63 3.713 3.713 4.392 -0.679 19511 2581 1 8 . 1 1 63 63 LYS CA C 63 56.518 56.518 58.135 -1.617 19511 2582 1 8 . 1 1 63 63 LYS CB C 63 30.224 30.224 33.405 -3.181 19511 2583 1 8 . 1 1 63 63 LYS H H 63 8.262 8.262 7.785 0.477 19511 2584 1 8 . 1 1 64 64 ARG N N 64 118.868 118.868 119.619 -0.751 19511 2585 1 8 . 1 1 64 64 ARG HA H 64 4.192 4.192 4.163 0.029 19511 2586 1 8 . 1 1 64 64 ARG CA C 64 56.249 56.249 58.617 -2.368 19511 2587 1 8 . 1 1 64 64 ARG CB C 64 28.227 28.227 29.820 -1.593 19511 2588 1 8 . 1 1 64 64 ARG H H 64 7.737 7.737 8.384 -0.647 19511 2589 1 8 . 1 1 65 65 ILE N N 65 119.744 119.744 116.115 3.629 19511 2590 1 8 . 1 1 65 65 ILE HA H 65 4.012 4.012 4.277 -0.265 19511 2591 1 8 . 1 1 65 65 ILE CA C 65 60.187 60.187 61.422 -1.235 19511 2592 1 8 . 1 1 65 65 ILE CB C 65 35.588 35.588 39.202 -3.614 19511 2593 1 8 . 1 1 65 65 ILE H H 65 8.010 8.010 7.515 0.495 19511 2594 1 8 . 1 1 66 66 LYS N N 66 122.316 122.316 121.792 0.524 19511 2595 1 8 . 1 1 66 66 LYS HA H 66 4.106 4.106 4.617 -0.511 19511 2596 1 8 . 1 1 66 66 LYS CA C 66 54.657 54.657 55.828 -1.171 19511 2597 1 8 . 1 1 66 66 LYS CB C 66 29.634 29.634 33.684 -4.050 19511 2598 1 8 . 1 1 66 66 LYS H H 66 8.055 8.055 7.623 0.432 19511 2599 1 8 . 1 1 67 67 ALA N N 67 122.520 122.520 123.960 -1.440 19511 2600 1 8 . 1 1 67 67 ALA HA H 67 4.291 4.291 4.665 -0.374 19511 2601 1 8 . 1 1 67 67 ALA CA C 67 50.463 50.463 51.551 -1.088 19511 2602 1 8 . 1 1 67 67 ALA CB C 67 16.535 16.535 21.846 -5.311 19511 2603 1 8 . 1 1 67 67 ALA H H 67 7.846 7.846 7.886 -0.040 19511 2604 1 8 . 1 1 68 68 GLY N N 68 106.371 106.371 108.269 -1.898 19511 2605 1 8 . 1 1 68 68 GLY CA C 68 42.991 42.991 45.181 -2.190 19511 2606 1 8 . 1 1 68 68 GLY H H 68 8.053 8.053 8.502 -0.449 19511 2607 1 8 . 1 1 69 69 ASN N N 69 118.766 118.766 121.211 -2.445 19511 2608 1 8 . 1 1 69 69 ASN HA H 69 4.832 4.832 4.749 0.083 19511 2609 1 8 . 1 1 69 69 ASN CA C 69 50.749 50.749 52.855 -2.106 19511 2610 1 8 . 1 1 69 69 ASN CB C 69 36.737 36.737 39.813 -3.076 19511 2611 1 8 . 1 1 69 69 ASN H H 69 8.166 8.166 8.746 -0.580 19511 2612 1 8 . 1 1 70 70 VAL N N 70 119.471 119.471 116.909 2.562 19511 2613 1 8 . 1 1 70 70 VAL HA H 70 4.265 4.265 4.788 -0.523 19511 2614 1 8 . 1 1 70 70 VAL CA C 70 59.765 59.765 61.270 -1.505 19511 2615 1 8 . 1 1 70 70 VAL CB C 70 30.482 30.482 33.489 -3.007 19511 2616 1 8 . 1 1 70 70 VAL H H 70 8.087 8.087 8.101 -0.014 19511 2617 1 9 . 1 1 3 3 PRO HA H 3 4.499 4.499 4.477 0.022 19511 2618 1 9 . 1 1 3 3 PRO CA C 3 61.077 61.077 62.844 -1.767 19511 2619 1 9 . 1 1 3 3 PRO CB C 3 29.635 29.635 32.575 -2.940 19511 2620 1 9 . 1 1 4 4 GLY N N 4 109.482 109.482 107.134 2.348 19511 2621 1 9 . 1 1 4 4 GLY CA C 4 42.963 42.963 44.786 -1.823 19511 2622 1 9 . 1 1 4 4 GLY H H 4 8.521 8.521 7.994 0.527 19511 2623 1 9 . 1 1 5 5 GLY N N 5 108.605 108.605 107.015 1.590 19511 2624 1 9 . 1 1 5 5 GLY CA C 5 42.869 42.869 45.082 -2.213 19511 2625 1 9 . 1 1 5 5 GLY H H 5 8.245 8.245 8.238 0.007 19511 2626 1 9 . 1 1 6 6 LYS N N 6 120.900 120.900 122.337 -1.437 19511 2627 1 9 . 1 1 6 6 LYS HA H 6 4.454 4.454 4.360 0.094 19511 2628 1 9 . 1 1 6 6 LYS CA C 6 53.594 53.594 55.761 -2.167 19511 2629 1 9 . 1 1 6 6 LYS CB C 6 31.034 31.034 31.748 -0.714 19511 2630 1 9 . 1 1 6 6 LYS H H 6 8.201 8.201 7.907 0.294 19511 2631 1 9 . 1 1 7 7 SER N N 7 118.055 118.055 120.667 -2.612 19511 2632 1 9 . 1 1 7 7 SER HA H 7 4.533 4.533 4.283 0.250 19511 2633 1 9 . 1 1 7 7 SER CA C 7 55.637 55.637 59.062 -3.425 19511 2634 1 9 . 1 1 7 7 SER CB C 7 61.343 61.343 63.377 -2.034 19511 2635 1 9 . 1 1 7 7 SER H H 7 8.425 8.425 8.524 -0.099 19511 2636 1 9 . 1 1 8 8 ARG HA H 8 4.547 4.547 4.353 0.194 19511 2637 1 9 . 1 1 8 8 ARG CA C 8 53.146 53.146 55.526 -2.380 19511 2638 1 9 . 1 1 8 8 ARG CB C 8 29.317 29.317 31.593 -2.276 19511 2639 1 9 . 1 1 9 9 ARG N N 9 124.954 124.954 125.715 -0.761 19511 2640 1 9 . 1 1 9 9 ARG HA H 9 4.321 4.321 4.175 0.146 19511 2641 1 9 . 1 1 9 9 ARG CA C 9 54.049 54.049 55.772 -1.723 19511 2642 1 9 . 1 1 9 9 ARG CB C 9 28.705 28.705 30.401 -1.696 19511 2643 1 9 . 1 1 9 9 ARG H H 9 9.037 9.037 8.528 0.509 19511 2644 1 9 . 1 1 10 10 ARG N N 10 122.493 122.493 126.618 -4.125 19511 2645 1 9 . 1 1 10 10 ARG HA H 10 4.322 4.322 4.231 0.091 19511 2646 1 9 . 1 1 10 10 ARG CA C 10 53.971 53.971 56.430 -2.459 19511 2647 1 9 . 1 1 10 10 ARG CB C 10 28.386 28.386 29.521 -1.135 19511 2648 1 9 . 1 1 10 10 ARG H H 10 8.350 8.350 8.596 -0.246 19511 2649 1 9 . 1 1 11 11 ARG N N 11 123.361 123.361 125.078 -1.717 19511 2650 1 9 . 1 1 11 11 ARG HA H 11 4.312 4.312 4.501 -0.189 19511 2651 1 9 . 1 1 11 11 ARG CA C 11 53.146 53.146 56.278 -3.132 19511 2652 1 9 . 1 1 11 11 ARG CB C 11 30.162 30.162 30.593 -0.431 19511 2653 1 9 . 1 1 11 11 ARG H H 11 8.508 8.508 8.229 0.279 19511 2654 1 9 . 1 1 12 12 THR N N 12 126.287 126.287 116.274 10.013 19511 2655 1 9 . 1 1 12 12 THR HA H 12 3.790 3.790 4.372 -0.582 19511 2656 1 9 . 1 1 12 12 THR CA C 12 62.948 62.948 61.323 1.625 19511 2657 1 9 . 1 1 12 12 THR CB C 12 66.854 66.854 69.751 -2.897 19511 2658 1 9 . 1 1 12 12 THR H H 12 8.068 8.068 7.597 0.471 19511 2659 1 9 . 1 1 13 13 ALA N N 13 129.745 129.745 123.419 6.326 19511 2660 1 9 . 1 1 13 13 ALA HA H 13 4.664 4.664 4.441 0.223 19511 2661 1 9 . 1 1 13 13 ALA CA C 13 47.602 47.602 51.648 -4.046 19511 2662 1 9 . 1 1 13 13 ALA CB C 13 16.412 16.412 18.439 -2.027 19511 2663 1 9 . 1 1 13 13 ALA H H 13 8.317 8.317 7.970 0.347 19511 2664 1 9 . 1 1 14 14 PHE N N 14 124.589 124.589 118.140 6.449 19511 2665 1 9 . 1 1 14 14 PHE HA H 14 4.708 4.708 4.753 -0.045 19511 2666 1 9 . 1 1 14 14 PHE CA C 14 56.288 56.288 55.976 0.312 19511 2667 1 9 . 1 1 14 14 PHE CB C 14 38.229 38.229 40.465 -2.236 19511 2668 1 9 . 1 1 14 14 PHE H H 14 8.594 8.594 7.501 1.093 19511 2669 1 9 . 1 1 15 15 THR N N 15 113.746 113.746 111.714 2.032 19511 2670 1 9 . 1 1 15 15 THR HA H 15 4.575 4.575 4.698 -0.123 19511 2671 1 9 . 1 1 15 15 THR CA C 15 58.027 58.027 59.361 -1.335 19511 2672 1 9 . 1 1 15 15 THR CB C 15 68.256 68.256 71.778 -3.523 19511 2673 1 9 . 1 1 15 15 THR H H 15 9.053 9.053 8.150 0.903 19511 2674 1 9 . 1 1 16 16 SER N N 16 116.624 116.624 115.820 0.804 19511 2675 1 9 . 1 1 16 16 SER HA H 16 4.713 4.713 4.268 0.445 19511 2676 1 9 . 1 1 16 16 SER CA C 16 59.750 59.750 61.096 -1.346 19511 2677 1 9 . 1 1 16 16 SER CB C 16 59.639 59.639 62.728 -3.089 19511 2678 1 9 . 1 1 16 16 SER H H 16 9.092 9.092 8.792 0.300 19511 2679 1 9 . 1 1 17 17 GLU N N 17 120.287 120.287 119.111 1.176 19511 2680 1 9 . 1 1 17 17 GLU HA H 17 4.081 4.081 4.418 -0.337 19511 2681 1 9 . 1 1 17 17 GLU CA C 17 57.565 57.565 56.608 0.957 19511 2682 1 9 . 1 1 17 17 GLU CB C 17 26.998 26.998 30.117 -3.119 19511 2683 1 9 . 1 1 17 17 GLU H H 17 8.560 8.560 7.609 0.951 19511 2684 1 9 . 1 1 18 18 GLN N N 18 118.169 118.169 118.524 -0.355 19511 2685 1 9 . 1 1 18 18 GLN HA H 18 3.898 3.898 4.269 -0.371 19511 2686 1 9 . 1 1 18 18 GLN CA C 18 56.609 56.609 57.417 -0.808 19511 2687 1 9 . 1 1 18 18 GLN CB C 18 32.647 32.647 29.791 2.856 19511 2688 1 9 . 1 1 18 18 GLN H H 18 7.769 7.769 7.566 0.203 19511 2689 1 9 . 1 1 19 19 LEU N N 19 116.929 116.929 121.217 -4.288 19511 2690 1 9 . 1 1 19 19 LEU HA H 19 3.655 3.655 4.024 -0.369 19511 2691 1 9 . 1 1 19 19 LEU CA C 19 55.390 55.390 56.896 -1.506 19511 2692 1 9 . 1 1 19 19 LEU CB C 19 39.414 39.414 41.396 -1.982 19511 2693 1 9 . 1 1 19 19 LEU H H 19 8.227 8.227 8.008 0.219 19511 2694 1 9 . 1 1 20 20 LEU N N 20 118.864 118.864 117.931 0.933 19511 2695 1 9 . 1 1 20 20 LEU HA H 20 4.034 4.034 4.027 0.007 19511 2696 1 9 . 1 1 20 20 LEU CA C 20 55.765 55.765 57.582 -1.817 19511 2697 1 9 . 1 1 20 20 LEU CB C 20 39.758 39.758 41.930 -2.172 19511 2698 1 9 . 1 1 20 20 LEU H H 20 8.037 8.037 8.190 -0.153 19511 2699 1 9 . 1 1 21 21 GLU N N 21 118.147 118.147 116.267 1.880 19511 2700 1 9 . 1 1 21 21 GLU HA H 21 4.159 4.159 4.255 -0.096 19511 2701 1 9 . 1 1 21 21 GLU CA C 21 56.062 56.062 57.186 -1.124 19511 2702 1 9 . 1 1 21 21 GLU CB C 21 27.576 27.576 30.064 -2.489 19511 2703 1 9 . 1 1 21 21 GLU H H 21 7.491 7.491 7.685 -0.194 19511 2704 1 9 . 1 1 22 22 LEU N N 22 122.316 122.316 121.390 0.926 19511 2705 1 9 . 1 1 22 22 LEU HA H 22 3.534 3.534 3.814 -0.280 19511 2706 1 9 . 1 1 22 22 LEU CA C 22 56.091 56.091 58.138 -2.047 19511 2707 1 9 . 1 1 22 22 LEU CB C 22 35.557 35.557 41.885 -6.328 19511 2708 1 9 . 1 1 22 22 LEU H H 22 8.254 8.254 7.389 0.865 19511 2709 1 9 . 1 1 23 23 GLU N N 23 117.645 117.645 118.308 -0.663 19511 2710 1 9 . 1 1 23 23 GLU HA H 23 4.319 4.319 4.422 -0.103 19511 2711 1 9 . 1 1 23 23 GLU CA C 23 56.627 56.627 59.451 -2.824 19511 2712 1 9 . 1 1 23 23 GLU CB C 23 26.800 26.800 29.375 -2.575 19511 2713 1 9 . 1 1 23 23 GLU H H 23 8.084 8.084 7.776 0.308 19511 2714 1 9 . 1 1 24 24 LYS N N 24 120.989 120.989 118.248 2.741 19511 2715 1 9 . 1 1 24 24 LYS HA H 24 4.088 4.088 4.194 -0.106 19511 2716 1 9 . 1 1 24 24 LYS CA C 24 57.392 57.392 58.559 -1.167 19511 2717 1 9 . 1 1 24 24 LYS H H 24 7.884 7.884 8.285 -0.401 19511 2718 1 9 . 1 1 25 25 GLU N N 25 119.686 119.686 120.900 -1.214 19511 2719 1 9 . 1 1 25 25 GLU HA H 25 4.325 4.325 4.041 0.284 19511 2720 1 9 . 1 1 25 25 GLU CA C 25 56.529 56.529 59.080 -2.551 19511 2721 1 9 . 1 1 25 25 GLU CB C 25 26.344 26.344 28.681 -2.337 19511 2722 1 9 . 1 1 25 25 GLU H H 25 8.179 8.179 7.916 0.263 19511 2723 1 9 . 1 1 26 26 PHE N N 26 121.229 121.229 116.269 4.960 19511 2724 1 9 . 1 1 26 26 PHE HA H 26 4.769 4.769 4.769 0.000 19511 2725 1 9 . 1 1 26 26 PHE CA C 26 57.746 57.746 59.468 -1.722 19511 2726 1 9 . 1 1 26 26 PHE CB C 26 41.554 41.554 39.139 2.415 19511 2727 1 9 . 1 1 26 26 PHE H H 26 8.896 8.896 7.710 1.186 19511 2728 1 9 . 1 1 27 27 HIS N N 27 115.789 115.789 116.573 -0.784 19511 2729 1 9 . 1 1 27 27 HIS HA H 27 4.069 4.069 4.715 -0.646 19511 2730 1 9 . 1 1 27 27 HIS CA C 27 56.598 56.598 57.171 -0.573 19511 2731 1 9 . 1 1 27 27 HIS CB C 27 27.235 27.235 30.798 -3.563 19511 2732 1 9 . 1 1 27 27 HIS H H 27 8.110 8.110 7.691 0.419 19511 2733 1 9 . 1 1 28 28 CYS N N 28 115.311 115.311 116.914 -1.603 19511 2734 1 9 . 1 1 28 28 CYS HA H 28 4.553 4.553 4.665 -0.112 19511 2735 1 9 . 1 1 28 28 CYS CA C 28 54.270 54.270 59.634 -5.364 19511 2736 1 9 . 1 1 28 28 CYS CB C 28 39.551 39.551 30.966 8.585 19511 2737 1 9 . 1 1 28 28 CYS H H 28 7.470 7.470 7.999 -0.529 19511 2738 1 9 . 1 1 29 29 LYS N N 29 122.013 122.013 118.628 3.385 19511 2739 1 9 . 1 1 29 29 LYS HA H 29 4.412 4.412 4.479 -0.067 19511 2740 1 9 . 1 1 29 29 LYS CA C 29 53.840 53.840 54.845 -1.005 19511 2741 1 9 . 1 1 29 29 LYS CB C 29 32.448 32.448 33.646 -1.198 19511 2742 1 9 . 1 1 29 29 LYS H H 29 8.648 8.648 7.683 0.965 19511 2743 1 9 . 1 1 30 30 LYS N N 30 117.519 117.519 116.145 1.374 19511 2744 1 9 . 1 1 30 30 LYS HA H 30 3.837 3.837 4.019 -0.182 19511 2745 1 9 . 1 1 30 30 LYS CA C 30 53.748 53.748 55.741 -1.993 19511 2746 1 9 . 1 1 30 30 LYS CB C 30 30.195 30.195 32.571 -2.376 19511 2747 1 9 . 1 1 30 30 LYS H H 30 7.887 7.887 7.988 -0.101 19511 2748 1 9 . 1 1 31 31 TYR N N 31 112.770 112.770 115.633 -2.863 19511 2749 1 9 . 1 1 31 31 TYR HA H 31 4.591 4.591 4.834 -0.243 19511 2750 1 9 . 1 1 31 31 TYR CA C 31 53.415 53.415 55.300 -1.885 19511 2751 1 9 . 1 1 31 31 TYR CB C 31 39.905 39.905 37.232 2.673 19511 2752 1 9 . 1 1 31 31 TYR H H 31 7.368 7.368 7.144 0.224 19511 2753 1 9 . 1 1 32 32 LEU N N 32 120.286 120.286 124.366 -4.080 19511 2754 1 9 . 1 1 32 32 LEU HA H 32 4.766 4.766 4.177 0.589 19511 2755 1 9 . 1 1 32 32 LEU CA C 32 50.290 50.290 55.196 -4.906 19511 2756 1 9 . 1 1 32 32 LEU CB C 32 42.846 42.846 41.952 0.894 19511 2757 1 9 . 1 1 32 32 LEU H H 32 8.442 8.442 8.314 0.128 19511 2758 1 9 . 1 1 33 33 SER N N 33 120.490 120.490 119.750 0.740 19511 2759 1 9 . 1 1 33 33 SER HA H 33 4.045 4.045 4.458 -0.413 19511 2760 1 9 . 1 1 33 33 SER CA C 33 54.957 54.957 57.771 -2.814 19511 2761 1 9 . 1 1 33 33 SER CB C 33 63.875 63.875 64.453 -0.578 19511 2762 1 9 . 1 1 33 33 SER H H 33 9.439 9.439 8.358 1.081 19511 2763 1 9 . 1 1 34 34 LEU N N 34 121.725 121.725 121.985 -0.260 19511 2764 1 9 . 1 1 34 34 LEU HA H 34 4.059 4.059 4.159 -0.100 19511 2765 1 9 . 1 1 34 34 LEU CA C 34 56.683 56.683 58.541 -1.858 19511 2766 1 9 . 1 1 34 34 LEU CB C 34 38.920 38.920 41.068 -2.148 19511 2767 1 9 . 1 1 34 34 LEU H H 34 8.886 8.886 8.711 0.175 19511 2768 1 9 . 1 1 35 35 THR N N 35 113.779 113.779 113.050 0.729 19511 2769 1 9 . 1 1 35 35 THR HA H 35 4.047 4.047 4.153 -0.106 19511 2770 1 9 . 1 1 35 35 THR CA C 35 63.322 63.322 65.169 -1.847 19511 2771 1 9 . 1 1 35 35 THR CB C 35 65.973 65.973 68.812 -2.839 19511 2772 1 9 . 1 1 35 35 THR H H 35 8.142 8.142 8.170 -0.028 19511 2773 1 9 . 1 1 36 36 GLU N N 36 122.728 122.728 119.261 3.467 19511 2774 1 9 . 1 1 36 36 GLU HA H 36 4.036 4.036 4.278 -0.242 19511 2775 1 9 . 1 1 36 36 GLU CA C 36 56.454 56.454 58.743 -2.289 19511 2776 1 9 . 1 1 36 36 GLU CB C 36 27.949 27.949 29.536 -1.587 19511 2777 1 9 . 1 1 36 36 GLU H H 36 7.658 7.658 8.153 -0.495 19511 2778 1 9 . 1 1 37 37 ARG N N 37 118.862 118.862 122.289 -3.427 19511 2779 1 9 . 1 1 37 37 ARG HA H 37 3.842 3.842 4.123 -0.281 19511 2780 1 9 . 1 1 37 37 ARG CA C 37 57.537 57.537 59.629 -2.092 19511 2781 1 9 . 1 1 37 37 ARG CB C 37 28.496 28.496 30.330 -1.834 19511 2782 1 9 . 1 1 37 37 ARG H H 37 8.762 8.762 8.412 0.350 19511 2783 1 9 . 1 1 38 38 SER N N 38 113.126 113.126 112.564 0.562 19511 2784 1 9 . 1 1 38 38 SER HA H 38 4.039 4.039 4.314 -0.275 19511 2785 1 9 . 1 1 38 38 SER CA C 38 60.349 60.349 60.181 0.168 19511 2786 1 9 . 1 1 38 38 SER CB C 38 65.383 65.383 62.870 2.513 19511 2787 1 9 . 1 1 38 38 SER H H 38 7.989 7.989 7.722 0.267 19511 2788 1 9 . 1 1 39 39 GLN N N 39 121.461 121.461 120.943 0.518 19511 2789 1 9 . 1 1 39 39 GLN HA H 39 4.176 4.176 4.136 0.040 19511 2790 1 9 . 1 1 39 39 GLN CA C 39 56.766 56.766 58.596 -1.830 19511 2791 1 9 . 1 1 39 39 GLN CB C 39 25.985 25.985 28.972 -2.987 19511 2792 1 9 . 1 1 39 39 GLN H H 39 8.017 8.017 7.574 0.443 19511 2793 1 9 . 1 1 40 40 ILE N N 40 121.303 121.303 121.183 0.120 19511 2794 1 9 . 1 1 40 40 ILE HA H 40 3.943 3.943 3.692 0.251 19511 2795 1 9 . 1 1 40 40 ILE CA C 40 62.170 62.170 64.811 -2.642 19511 2796 1 9 . 1 1 40 40 ILE CB C 40 35.984 35.984 37.455 -1.471 19511 2797 1 9 . 1 1 40 40 ILE H H 40 8.290 8.290 7.904 0.386 19511 2798 1 9 . 1 1 41 41 ALA N N 41 121.610 121.610 119.750 1.860 19511 2799 1 9 . 1 1 41 41 ALA HA H 41 3.757 3.757 4.031 -0.274 19511 2800 1 9 . 1 1 41 41 ALA CA C 41 53.812 53.812 53.842 -0.030 19511 2801 1 9 . 1 1 41 41 ALA CB C 41 15.288 15.288 18.847 -3.559 19511 2802 1 9 . 1 1 41 41 ALA H H 41 8.201 8.201 7.859 0.342 19511 2803 1 9 . 1 1 42 42 HIS N N 42 114.498 114.498 114.337 0.161 19511 2804 1 9 . 1 1 42 42 HIS HA H 42 3.751 3.751 4.692 -0.941 19511 2805 1 9 . 1 1 42 42 HIS CA C 42 53.713 53.713 55.350 -1.637 19511 2806 1 9 . 1 1 42 42 HIS CB C 42 25.282 25.282 30.140 -4.858 19511 2807 1 9 . 1 1 42 42 HIS H H 42 8.136 8.136 7.884 0.252 19511 2808 1 9 . 1 1 43 43 ALA N N 43 121.763 121.763 121.364 0.399 19511 2809 1 9 . 1 1 43 43 ALA HA H 43 4.118 4.118 4.476 -0.358 19511 2810 1 9 . 1 1 43 43 ALA CA C 43 52.521 52.521 52.863 -0.342 19511 2811 1 9 . 1 1 43 43 ALA CB C 43 16.046 16.046 20.148 -4.102 19511 2812 1 9 . 1 1 43 43 ALA H H 43 8.181 8.181 7.997 0.184 19511 2813 1 9 . 1 1 44 44 LEU N N 44 114.063 114.063 119.899 -5.836 19511 2814 1 9 . 1 1 44 44 LEU HA H 44 4.416 4.416 4.026 0.390 19511 2815 1 9 . 1 1 44 44 LEU CA C 44 51.814 51.814 56.789 -4.975 19511 2816 1 9 . 1 1 44 44 LEU CB C 44 40.181 40.181 42.624 -2.443 19511 2817 1 9 . 1 1 44 44 LEU H H 44 8.016 8.016 7.603 0.413 19511 2818 1 9 . 1 1 45 45 LYS N N 45 116.933 116.933 113.843 3.090 19511 2819 1 9 . 1 1 45 45 LYS HA H 45 4.026 4.026 4.369 -0.343 19511 2820 1 9 . 1 1 45 45 LYS CA C 45 54.887 54.887 56.110 -1.223 19511 2821 1 9 . 1 1 45 45 LYS CB C 45 26.031 26.031 34.004 -7.973 19511 2822 1 9 . 1 1 45 45 LYS H H 45 7.867 7.867 8.188 -0.321 19511 2823 1 9 . 1 1 46 46 LEU N N 46 119.776 119.776 120.310 -0.534 19511 2824 1 9 . 1 1 46 46 LEU HA H 46 4.937 4.937 4.601 0.336 19511 2825 1 9 . 1 1 46 46 LEU CA C 46 49.983 49.983 53.781 -3.798 19511 2826 1 9 . 1 1 46 46 LEU CB C 46 45.389 45.389 43.277 2.112 19511 2827 1 9 . 1 1 46 46 LEU H H 46 8.517 8.517 7.962 0.555 19511 2828 1 9 . 1 1 47 47 SER N N 47 114.945 114.945 117.481 -2.536 19511 2829 1 9 . 1 1 47 47 SER HA H 47 4.856 4.856 4.561 0.295 19511 2830 1 9 . 1 1 47 47 SER CA C 47 54.112 54.112 58.367 -4.255 19511 2831 1 9 . 1 1 47 47 SER CB C 47 62.635 62.635 64.317 -1.682 19511 2832 1 9 . 1 1 47 47 SER H H 47 9.225 9.225 8.599 0.626 19511 2833 1 9 . 1 1 48 48 GLU N N 48 122.216 122.216 126.301 -4.085 19511 2834 1 9 . 1 1 48 48 GLU HA H 48 3.778 3.778 3.996 -0.218 19511 2835 1 9 . 1 1 48 48 GLU CA C 48 58.893 58.893 60.202 -1.309 19511 2836 1 9 . 1 1 48 48 GLU CB C 48 27.002 27.002 29.465 -2.463 19511 2837 1 9 . 1 1 48 48 GLU H H 48 9.278 9.278 9.175 0.103 19511 2838 1 9 . 1 1 49 49 VAL N N 49 118.235 118.235 120.157 -1.922 19511 2839 1 9 . 1 1 49 49 VAL HA H 49 3.854 3.854 3.782 0.072 19511 2840 1 9 . 1 1 49 49 VAL CA C 49 63.808 63.808 65.944 -2.136 19511 2841 1 9 . 1 1 49 49 VAL CB C 49 29.556 29.556 31.409 -1.853 19511 2842 1 9 . 1 1 49 49 VAL H H 49 7.993 7.993 8.032 -0.039 19511 2843 1 9 . 1 1 50 50 GLN N N 50 119.879 119.879 118.927 0.952 19511 2844 1 9 . 1 1 50 50 GLN HA H 50 4.296 4.296 4.166 0.130 19511 2845 1 9 . 1 1 50 50 GLN CA C 50 57.495 57.495 58.855 -1.360 19511 2846 1 9 . 1 1 50 50 GLN CB C 50 27.381 27.381 28.043 -0.662 19511 2847 1 9 . 1 1 50 50 GLN H H 50 7.705 7.705 8.520 -0.815 19511 2848 1 9 . 1 1 51 51 VAL N N 51 117.905 117.905 120.093 -2.188 19511 2849 1 9 . 1 1 51 51 VAL HA H 51 3.818 3.818 4.000 -0.182 19511 2850 1 9 . 1 1 51 51 VAL CA C 51 64.839 64.839 66.350 -1.511 19511 2851 1 9 . 1 1 51 51 VAL CB C 51 29.968 29.968 31.569 -1.601 19511 2852 1 9 . 1 1 51 51 VAL H H 51 7.629 7.629 8.082 -0.453 19511 2853 1 9 . 1 1 52 52 LYS N N 52 120.669 120.669 120.291 0.378 19511 2854 1 9 . 1 1 52 52 LYS HA H 52 4.168 4.168 4.227 -0.059 19511 2855 1 9 . 1 1 52 52 LYS CA C 52 57.489 57.489 59.658 -2.169 19511 2856 1 9 . 1 1 52 52 LYS CB C 52 30.473 30.473 32.408 -1.935 19511 2857 1 9 . 1 1 52 52 LYS H H 52 8.802 8.802 8.079 0.723 19511 2858 1 9 . 1 1 53 53 ILE N N 53 120.041 120.041 117.502 2.539 19511 2859 1 9 . 1 1 53 53 ILE HA H 53 3.710 3.710 4.053 -0.343 19511 2860 1 9 . 1 1 53 53 ILE CA C 53 61.549 61.549 63.515 -1.966 19511 2861 1 9 . 1 1 53 53 ILE CB C 53 35.022 35.022 37.833 -2.811 19511 2862 1 9 . 1 1 53 53 ILE H H 53 8.711 8.711 7.646 1.065 19511 2863 1 9 . 1 1 54 54 TRP N N 54 123.292 123.292 122.555 0.737 19511 2864 1 9 . 1 1 54 54 TRP HA H 54 4.731 4.731 4.336 0.395 19511 2865 1 9 . 1 1 54 54 TRP CA C 54 60.105 60.105 61.719 -1.614 19511 2866 1 9 . 1 1 54 54 TRP CB C 54 26.108 26.108 29.436 -3.328 19511 2867 1 9 . 1 1 54 54 TRP H H 54 8.467 8.467 7.928 0.539 19511 2868 1 9 . 1 1 55 55 PHE N N 55 118.279 118.279 117.394 0.885 19511 2869 1 9 . 1 1 55 55 PHE HA H 55 3.801 3.801 4.171 -0.370 19511 2870 1 9 . 1 1 55 55 PHE CA C 55 61.097 61.097 61.698 -0.601 19511 2871 1 9 . 1 1 55 55 PHE CB C 55 36.812 36.812 38.548 -1.736 19511 2872 1 9 . 1 1 55 55 PHE H H 55 8.923 8.923 7.945 0.978 19511 2873 1 9 . 1 1 56 56 GLN N N 56 117.830 117.830 118.373 -0.543 19511 2874 1 9 . 1 1 56 56 GLN HA H 56 4.036 4.036 4.126 -0.090 19511 2875 1 9 . 1 1 56 56 GLN CA C 56 57.329 57.329 58.373 -1.044 19511 2876 1 9 . 1 1 56 56 GLN CB C 56 25.312 25.312 28.374 -3.062 19511 2877 1 9 . 1 1 56 56 GLN H H 56 7.994 7.994 7.928 0.066 19511 2878 1 9 . 1 1 57 57 ASN N N 57 119.840 119.840 117.444 2.396 19511 2879 1 9 . 1 1 57 57 ASN HA H 57 4.632 4.632 4.574 0.058 19511 2880 1 9 . 1 1 57 57 ASN CA C 57 55.637 55.637 55.451 0.186 19511 2881 1 9 . 1 1 57 57 ASN CB C 57 35.824 35.824 39.082 -3.258 19511 2882 1 9 . 1 1 57 57 ASN H H 57 8.715 8.715 7.701 1.014 19511 2883 1 9 . 1 1 58 58 ARG N N 58 125.366 125.366 119.373 5.993 19511 2884 1 9 . 1 1 58 58 ARG HA H 58 3.656 3.656 3.862 -0.206 19511 2885 1 9 . 1 1 58 58 ARG CA C 58 53.865 53.865 56.951 -3.086 19511 2886 1 9 . 1 1 58 58 ARG CB C 58 25.436 25.436 29.025 -3.589 19511 2887 1 9 . 1 1 58 58 ARG H H 58 8.806 8.806 7.280 1.526 19511 2888 1 9 . 1 1 59 59 ARG N N 59 120.172 120.172 117.928 2.244 19511 2889 1 9 . 1 1 59 59 ARG CB C 59 29.582 29.582 30.634 -1.052 19511 2890 1 9 . 1 1 59 59 ARG H H 59 8.345 8.345 7.625 0.720 19511 2891 1 9 . 1 1 60 60 ALA N N 60 122.418 122.418 122.154 0.264 19511 2892 1 9 . 1 1 60 60 ALA HA H 60 4.420 4.420 4.197 0.223 19511 2893 1 9 . 1 1 60 60 ALA CA C 60 53.005 53.005 54.438 -1.433 19511 2894 1 9 . 1 1 60 60 ALA CB C 60 15.567 15.567 18.460 -2.893 19511 2895 1 9 . 1 1 60 60 ALA H H 60 7.587 7.587 7.819 -0.232 19511 2896 1 9 . 1 1 61 61 LYS N N 61 119.912 119.912 119.504 0.408 19511 2897 1 9 . 1 1 61 61 LYS HA H 61 4.003 4.003 3.822 0.181 19511 2898 1 9 . 1 1 61 61 LYS CA C 61 57.164 57.164 59.609 -2.445 19511 2899 1 9 . 1 1 61 61 LYS CB C 61 30.390 30.390 31.639 -1.249 19511 2900 1 9 . 1 1 61 61 LYS H H 61 7.856 7.856 7.901 -0.045 19511 2901 1 9 . 1 1 62 62 TRP N N 62 119.782 119.782 117.352 2.430 19511 2902 1 9 . 1 1 62 62 TRP HA H 62 4.535 4.535 4.425 0.110 19511 2903 1 9 . 1 1 62 62 TRP CA C 62 57.359 57.359 59.288 -1.929 19511 2904 1 9 . 1 1 62 62 TRP CB C 62 27.020 27.020 29.044 -2.025 19511 2905 1 9 . 1 1 62 62 TRP H H 62 8.265 8.265 7.419 0.846 19511 2906 1 9 . 1 1 63 63 LYS N N 63 117.139 117.139 119.422 -2.283 19511 2907 1 9 . 1 1 63 63 LYS HA H 63 3.713 3.713 3.997 -0.284 19511 2908 1 9 . 1 1 63 63 LYS CA C 63 56.518 56.518 59.852 -3.334 19511 2909 1 9 . 1 1 63 63 LYS CB C 63 30.224 30.224 32.163 -1.939 19511 2910 1 9 . 1 1 63 63 LYS H H 63 8.262 8.262 7.773 0.489 19511 2911 1 9 . 1 1 64 64 ARG N N 64 118.868 118.868 119.745 -0.877 19511 2912 1 9 . 1 1 64 64 ARG HA H 64 4.192 4.192 4.138 0.054 19511 2913 1 9 . 1 1 64 64 ARG CA C 64 56.249 56.249 58.593 -2.344 19511 2914 1 9 . 1 1 64 64 ARG CB C 64 28.227 28.227 29.655 -1.429 19511 2915 1 9 . 1 1 64 64 ARG H H 64 7.737 7.737 8.311 -0.574 19511 2916 1 9 . 1 1 65 65 ILE N N 65 119.744 119.744 117.478 2.266 19511 2917 1 9 . 1 1 65 65 ILE HA H 65 4.012 4.012 4.155 -0.143 19511 2918 1 9 . 1 1 65 65 ILE CA C 65 60.187 60.187 62.571 -2.384 19511 2919 1 9 . 1 1 65 65 ILE CB C 65 35.588 35.588 38.545 -2.957 19511 2920 1 9 . 1 1 65 65 ILE H H 65 8.010 8.010 7.992 0.018 19511 2921 1 9 . 1 1 66 66 LYS N N 66 122.316 122.316 119.936 2.380 19511 2922 1 9 . 1 1 66 66 LYS HA H 66 4.106 4.106 4.512 -0.406 19511 2923 1 9 . 1 1 66 66 LYS CA C 66 54.657 54.657 54.944 -0.287 19511 2924 1 9 . 1 1 66 66 LYS CB C 66 29.634 29.634 32.751 -3.117 19511 2925 1 9 . 1 1 66 66 LYS H H 66 8.055 8.055 7.856 0.199 19511 2926 1 9 . 1 1 67 67 ALA N N 67 122.520 122.520 122.811 -0.291 19511 2927 1 9 . 1 1 67 67 ALA HA H 67 4.291 4.291 4.476 -0.185 19511 2928 1 9 . 1 1 67 67 ALA CA C 67 50.463 50.463 52.435 -1.972 19511 2929 1 9 . 1 1 67 67 ALA CB C 67 16.535 16.535 18.621 -2.086 19511 2930 1 9 . 1 1 67 67 ALA H H 67 7.846 7.846 7.809 0.037 19511 2931 1 9 . 1 1 68 68 GLY N N 68 106.371 106.371 110.258 -3.887 19511 2932 1 9 . 1 1 68 68 GLY CA C 68 42.991 42.991 44.614 -1.623 19511 2933 1 9 . 1 1 68 68 GLY H H 68 8.053 8.053 8.367 -0.314 19511 2934 1 9 . 1 1 69 69 ASN N N 69 118.766 118.766 118.741 0.025 19511 2935 1 9 . 1 1 69 69 ASN HA H 69 4.832 4.832 4.910 -0.078 19511 2936 1 9 . 1 1 69 69 ASN CA C 69 50.749 50.749 52.564 -1.815 19511 2937 1 9 . 1 1 69 69 ASN CB C 69 36.737 36.737 41.105 -4.368 19511 2938 1 9 . 1 1 69 69 ASN H H 69 8.166 8.166 7.983 0.183 19511 2939 1 9 . 1 1 70 70 VAL N N 70 119.471 119.471 122.316 -2.845 19511 2940 1 9 . 1 1 70 70 VAL HA H 70 4.265 4.265 4.151 0.114 19511 2941 1 9 . 1 1 70 70 VAL CA C 70 59.765 59.765 63.273 -3.508 19511 2942 1 9 . 1 1 70 70 VAL CB C 70 30.482 30.482 31.964 -1.482 19511 2943 1 9 . 1 1 70 70 VAL H H 70 8.087 8.087 8.398 -0.311 19511 2944 1 10 . 1 1 3 3 PRO HA H 3 4.499 4.499 4.542 -0.043 19511 2945 1 10 . 1 1 3 3 PRO CA C 3 61.077 61.077 63.197 -2.120 19511 2946 1 10 . 1 1 3 3 PRO CB C 3 29.635 29.635 32.468 -2.833 19511 2947 1 10 . 1 1 4 4 GLY N N 4 109.482 109.482 109.720 -0.238 19511 2948 1 10 . 1 1 4 4 GLY CA C 4 42.963 42.963 44.872 -1.909 19511 2949 1 10 . 1 1 4 4 GLY H H 4 8.521 8.521 8.202 0.319 19511 2950 1 10 . 1 1 5 5 GLY N N 5 108.605 108.605 107.325 1.280 19511 2951 1 10 . 1 1 5 5 GLY CA C 5 42.869 42.869 44.880 -2.011 19511 2952 1 10 . 1 1 5 5 GLY H H 5 8.245 8.245 7.990 0.255 19511 2953 1 10 . 1 1 6 6 LYS N N 6 120.900 120.900 121.213 -0.313 19511 2954 1 10 . 1 1 6 6 LYS HA H 6 4.454 4.454 4.585 -0.131 19511 2955 1 10 . 1 1 6 6 LYS CA C 6 53.594 53.594 55.686 -2.092 19511 2956 1 10 . 1 1 6 6 LYS CB C 6 31.034 31.034 34.837 -3.804 19511 2957 1 10 . 1 1 6 6 LYS H H 6 8.201 8.201 8.297 -0.096 19511 2958 1 10 . 1 1 7 7 SER N N 7 118.055 118.055 116.630 1.425 19511 2959 1 10 . 1 1 7 7 SER HA H 7 4.533 4.533 4.600 -0.067 19511 2960 1 10 . 1 1 7 7 SER CA C 7 55.637 55.637 57.622 -1.985 19511 2961 1 10 . 1 1 7 7 SER CB C 7 61.343 61.343 64.756 -3.413 19511 2962 1 10 . 1 1 7 7 SER H H 7 8.425 8.425 8.321 0.104 19511 2963 1 10 . 1 1 8 8 ARG HA H 8 4.547 4.547 4.456 0.091 19511 2964 1 10 . 1 1 8 8 ARG CA C 8 53.146 53.146 56.102 -2.956 19511 2965 1 10 . 1 1 8 8 ARG CB C 8 29.317 29.317 29.170 0.147 19511 2966 1 10 . 1 1 9 9 ARG N N 9 124.954 124.954 123.262 1.692 19511 2967 1 10 . 1 1 9 9 ARG HA H 9 4.321 4.321 4.528 -0.207 19511 2968 1 10 . 1 1 9 9 ARG CA C 9 54.049 54.049 54.477 -0.428 19511 2969 1 10 . 1 1 9 9 ARG CB C 9 28.705 28.705 33.090 -4.385 19511 2970 1 10 . 1 1 9 9 ARG H H 9 9.037 9.037 7.980 1.057 19511 2971 1 10 . 1 1 10 10 ARG N N 10 122.493 122.493 123.430 -0.937 19511 2972 1 10 . 1 1 10 10 ARG HA H 10 4.322 4.322 4.157 0.165 19511 2973 1 10 . 1 1 10 10 ARG CA C 10 53.971 53.971 57.084 -3.114 19511 2974 1 10 . 1 1 10 10 ARG CB C 10 28.386 28.386 28.792 -0.406 19511 2975 1 10 . 1 1 10 10 ARG H H 10 8.350 8.350 8.568 -0.218 19511 2976 1 10 . 1 1 11 11 ARG N N 11 123.361 123.361 123.113 0.248 19511 2977 1 10 . 1 1 11 11 ARG HA H 11 4.312 4.312 4.499 -0.187 19511 2978 1 10 . 1 1 11 11 ARG CA C 11 53.146 53.146 55.260 -2.114 19511 2979 1 10 . 1 1 11 11 ARG CB C 11 30.162 30.162 30.373 -0.211 19511 2980 1 10 . 1 1 11 11 ARG H H 11 8.508 8.508 8.076 0.432 19511 2981 1 10 . 1 1 12 12 THR N N 12 126.287 126.287 117.525 8.762 19511 2982 1 10 . 1 1 12 12 THR HA H 12 3.790 3.790 3.934 -0.144 19511 2983 1 10 . 1 1 12 12 THR CA C 12 62.948 62.948 62.859 0.089 19511 2984 1 10 . 1 1 12 12 THR CB C 12 66.854 66.854 69.326 -2.472 19511 2985 1 10 . 1 1 12 12 THR H H 12 8.068 8.068 7.772 0.296 19511 2986 1 10 . 1 1 13 13 ALA N N 13 129.745 129.745 127.640 2.105 19511 2987 1 10 . 1 1 13 13 ALA HA H 13 4.664 4.664 4.541 0.123 19511 2988 1 10 . 1 1 13 13 ALA CA C 13 47.602 47.602 51.436 -3.834 19511 2989 1 10 . 1 1 13 13 ALA CB C 13 16.412 16.412 18.492 -2.080 19511 2990 1 10 . 1 1 13 13 ALA H H 13 8.317 8.317 7.922 0.395 19511 2991 1 10 . 1 1 14 14 PHE N N 14 124.589 124.589 117.693 6.896 19511 2992 1 10 . 1 1 14 14 PHE HA H 14 4.708 4.708 5.725 -1.017 19511 2993 1 10 . 1 1 14 14 PHE CA C 14 56.288 56.288 54.877 1.411 19511 2994 1 10 . 1 1 14 14 PHE CB C 14 38.229 38.229 41.256 -3.027 19511 2995 1 10 . 1 1 14 14 PHE H H 14 8.594 8.594 7.376 1.218 19511 2996 1 10 . 1 1 15 15 THR N N 15 113.746 113.746 111.893 1.853 19511 2997 1 10 . 1 1 15 15 THR HA H 15 4.575 4.575 4.769 -0.194 19511 2998 1 10 . 1 1 15 15 THR CA C 15 58.027 58.027 60.222 -2.195 19511 2999 1 10 . 1 1 15 15 THR CB C 15 68.256 68.256 71.637 -3.381 19511 3000 1 10 . 1 1 15 15 THR H H 15 9.053 9.053 8.374 0.679 19511 3001 1 10 . 1 1 16 16 SER N N 16 116.624 116.624 116.757 -0.133 19511 3002 1 10 . 1 1 16 16 SER HA H 16 4.713 4.713 4.309 0.404 19511 3003 1 10 . 1 1 16 16 SER CA C 16 59.750 59.750 61.584 -1.835 19511 3004 1 10 . 1 1 16 16 SER CB C 16 59.639 59.639 63.111 -3.471 19511 3005 1 10 . 1 1 16 16 SER H H 16 9.092 9.092 8.786 0.306 19511 3006 1 10 . 1 1 17 17 GLU N N 17 120.287 120.287 122.442 -2.155 19511 3007 1 10 . 1 1 17 17 GLU HA H 17 4.081 4.081 4.021 0.060 19511 3008 1 10 . 1 1 17 17 GLU CA C 17 57.565 57.565 59.531 -1.966 19511 3009 1 10 . 1 1 17 17 GLU CB C 17 26.998 26.998 29.240 -2.242 19511 3010 1 10 . 1 1 17 17 GLU H H 17 8.560 8.560 8.092 0.468 19511 3011 1 10 . 1 1 18 18 GLN N N 18 118.169 118.169 119.544 -1.375 19511 3012 1 10 . 1 1 18 18 GLN HA H 18 3.898 3.898 3.945 -0.047 19511 3013 1 10 . 1 1 18 18 GLN CA C 18 56.609 56.609 58.474 -1.865 19511 3014 1 10 . 1 1 18 18 GLN CB C 18 32.647 32.647 28.749 3.898 19511 3015 1 10 . 1 1 18 18 GLN H H 18 7.769 7.769 7.640 0.129 19511 3016 1 10 . 1 1 19 19 LEU N N 19 116.929 116.929 120.138 -3.209 19511 3017 1 10 . 1 1 19 19 LEU HA H 19 3.655 3.655 3.911 -0.256 19511 3018 1 10 . 1 1 19 19 LEU CA C 19 55.390 55.390 57.019 -1.629 19511 3019 1 10 . 1 1 19 19 LEU CB C 19 39.414 39.414 41.285 -1.871 19511 3020 1 10 . 1 1 19 19 LEU H H 19 8.227 8.227 8.140 0.087 19511 3021 1 10 . 1 1 20 20 LEU N N 20 118.864 118.864 119.865 -1.001 19511 3022 1 10 . 1 1 20 20 LEU HA H 20 4.034 4.034 3.843 0.191 19511 3023 1 10 . 1 1 20 20 LEU CA C 20 55.765 55.765 58.018 -2.253 19511 3024 1 10 . 1 1 20 20 LEU CB C 20 39.758 39.758 41.570 -1.812 19511 3025 1 10 . 1 1 20 20 LEU H H 20 8.037 8.037 7.661 0.376 19511 3026 1 10 . 1 1 21 21 GLU N N 21 118.147 118.147 118.725 -0.578 19511 3027 1 10 . 1 1 21 21 GLU HA H 21 4.159 4.159 4.048 0.111 19511 3028 1 10 . 1 1 21 21 GLU CA C 21 56.062 56.062 59.566 -3.503 19511 3029 1 10 . 1 1 21 21 GLU CB C 21 27.576 27.576 29.280 -1.704 19511 3030 1 10 . 1 1 21 21 GLU H H 21 7.491 7.491 7.565 -0.074 19511 3031 1 10 . 1 1 22 22 LEU N N 22 122.316 122.316 120.083 2.233 19511 3032 1 10 . 1 1 22 22 LEU HA H 22 3.534 3.534 3.815 -0.281 19511 3033 1 10 . 1 1 22 22 LEU CA C 22 56.091 56.091 57.844 -1.753 19511 3034 1 10 . 1 1 22 22 LEU CB C 22 35.557 35.557 41.188 -5.631 19511 3035 1 10 . 1 1 22 22 LEU H H 22 8.254 8.254 7.332 0.922 19511 3036 1 10 . 1 1 23 23 GLU N N 23 117.645 117.645 118.816 -1.171 19511 3037 1 10 . 1 1 23 23 GLU HA H 23 4.319 4.319 4.260 0.059 19511 3038 1 10 . 1 1 23 23 GLU CA C 23 56.627 56.627 59.357 -2.730 19511 3039 1 10 . 1 1 23 23 GLU CB C 23 26.800 26.800 29.374 -2.574 19511 3040 1 10 . 1 1 23 23 GLU H H 23 8.084 8.084 8.190 -0.106 19511 3041 1 10 . 1 1 24 24 LYS N N 24 120.989 120.989 120.293 0.696 19511 3042 1 10 . 1 1 24 24 LYS HA H 24 4.088 4.088 3.991 0.097 19511 3043 1 10 . 1 1 24 24 LYS CA C 24 57.392 57.392 59.801 -2.409 19511 3044 1 10 . 1 1 24 24 LYS H H 24 7.884 7.884 8.312 -0.428 19511 3045 1 10 . 1 1 25 25 GLU N N 25 119.686 119.686 119.131 0.555 19511 3046 1 10 . 1 1 25 25 GLU HA H 25 4.325 4.325 4.099 0.226 19511 3047 1 10 . 1 1 25 25 GLU CA C 25 56.529 56.529 59.298 -2.769 19511 3048 1 10 . 1 1 25 25 GLU CB C 25 26.344 26.344 29.441 -3.097 19511 3049 1 10 . 1 1 25 25 GLU H H 25 8.179 8.179 7.839 0.340 19511 3050 1 10 . 1 1 26 26 PHE N N 26 121.229 121.229 117.928 3.301 19511 3051 1 10 . 1 1 26 26 PHE HA H 26 4.769 4.769 4.628 0.141 19511 3052 1 10 . 1 1 26 26 PHE CA C 26 57.746 57.746 60.332 -2.586 19511 3053 1 10 . 1 1 26 26 PHE CB C 26 41.554 41.554 39.412 2.142 19511 3054 1 10 . 1 1 26 26 PHE H H 26 8.896 8.896 7.845 1.051 19511 3055 1 10 . 1 1 27 27 HIS N N 27 115.789 115.789 116.941 -1.152 19511 3056 1 10 . 1 1 27 27 HIS HA H 27 4.069 4.069 4.551 -0.482 19511 3057 1 10 . 1 1 27 27 HIS CA C 27 56.598 56.598 58.291 -1.693 19511 3058 1 10 . 1 1 27 27 HIS CB C 27 27.235 27.235 30.756 -3.522 19511 3059 1 10 . 1 1 27 27 HIS H H 27 8.110 8.110 7.849 0.261 19511 3060 1 10 . 1 1 28 28 CYS N N 28 115.311 115.311 117.003 -1.692 19511 3061 1 10 . 1 1 28 28 CYS HA H 28 4.553 4.553 4.611 -0.058 19511 3062 1 10 . 1 1 28 28 CYS CA C 28 54.270 54.270 59.181 -4.911 19511 3063 1 10 . 1 1 28 28 CYS CB C 28 39.551 39.551 30.229 9.322 19511 3064 1 10 . 1 1 28 28 CYS H H 28 7.470 7.470 7.757 -0.287 19511 3065 1 10 . 1 1 29 29 LYS N N 29 122.013 122.013 121.048 0.965 19511 3066 1 10 . 1 1 29 29 LYS HA H 29 4.412 4.412 4.355 0.057 19511 3067 1 10 . 1 1 29 29 LYS CA C 29 53.840 53.840 54.799 -0.959 19511 3068 1 10 . 1 1 29 29 LYS CB C 29 32.448 32.448 31.847 0.601 19511 3069 1 10 . 1 1 29 29 LYS H H 29 8.648 8.648 8.059 0.589 19511 3070 1 10 . 1 1 30 30 LYS N N 30 117.519 117.519 124.251 -6.732 19511 3071 1 10 . 1 1 30 30 LYS HA H 30 3.837 3.837 3.925 -0.088 19511 3072 1 10 . 1 1 30 30 LYS CA C 30 53.748 53.748 57.500 -3.752 19511 3073 1 10 . 1 1 30 30 LYS CB C 30 30.195 30.195 32.865 -2.670 19511 3074 1 10 . 1 1 30 30 LYS H H 30 7.887 7.887 8.753 -0.866 19511 3075 1 10 . 1 1 31 31 TYR N N 31 112.770 112.770 112.882 -0.112 19511 3076 1 10 . 1 1 31 31 TYR HA H 31 4.591 4.591 4.514 0.077 19511 3077 1 10 . 1 1 31 31 TYR CA C 31 53.415 53.415 54.447 -1.032 19511 3078 1 10 . 1 1 31 31 TYR CB C 31 39.905 39.905 39.478 0.427 19511 3079 1 10 . 1 1 31 31 TYR H H 31 7.368 7.368 6.936 0.432 19511 3080 1 10 . 1 1 32 32 LEU N N 32 120.286 120.286 125.648 -5.362 19511 3081 1 10 . 1 1 32 32 LEU HA H 32 4.766 4.766 4.328 0.438 19511 3082 1 10 . 1 1 32 32 LEU CA C 32 50.290 50.290 54.340 -4.050 19511 3083 1 10 . 1 1 32 32 LEU CB C 32 42.846 42.846 42.461 0.385 19511 3084 1 10 . 1 1 32 32 LEU H H 32 8.442 8.442 8.308 0.134 19511 3085 1 10 . 1 1 33 33 SER N N 33 120.490 120.490 121.229 -0.739 19511 3086 1 10 . 1 1 33 33 SER HA H 33 4.045 4.045 4.446 -0.401 19511 3087 1 10 . 1 1 33 33 SER CA C 33 54.957 54.957 57.610 -2.653 19511 3088 1 10 . 1 1 33 33 SER CB C 33 63.875 63.875 64.075 -0.200 19511 3089 1 10 . 1 1 33 33 SER H H 33 9.439 9.439 8.262 1.177 19511 3090 1 10 . 1 1 34 34 LEU N N 34 121.725 121.725 122.542 -0.817 19511 3091 1 10 . 1 1 34 34 LEU HA H 34 4.059 4.059 4.173 -0.114 19511 3092 1 10 . 1 1 34 34 LEU CA C 34 56.683 56.683 58.353 -1.670 19511 3093 1 10 . 1 1 34 34 LEU CB C 34 38.920 38.920 40.745 -1.825 19511 3094 1 10 . 1 1 34 34 LEU H H 34 8.886 8.886 8.624 0.262 19511 3095 1 10 . 1 1 35 35 THR N N 35 113.779 113.779 113.185 0.594 19511 3096 1 10 . 1 1 35 35 THR HA H 35 4.047 4.047 4.194 -0.147 19511 3097 1 10 . 1 1 35 35 THR CA C 35 63.322 63.322 65.468 -2.146 19511 3098 1 10 . 1 1 35 35 THR CB C 35 65.973 65.973 68.769 -2.796 19511 3099 1 10 . 1 1 35 35 THR H H 35 8.142 8.142 7.860 0.282 19511 3100 1 10 . 1 1 36 36 GLU N N 36 122.728 122.728 122.425 0.303 19511 3101 1 10 . 1 1 36 36 GLU HA H 36 4.036 4.036 4.057 -0.021 19511 3102 1 10 . 1 1 36 36 GLU CA C 36 56.454 56.454 59.816 -3.362 19511 3103 1 10 . 1 1 36 36 GLU CB C 36 27.949 27.949 28.977 -1.028 19511 3104 1 10 . 1 1 36 36 GLU H H 36 7.658 7.658 8.680 -1.022 19511 3105 1 10 . 1 1 37 37 ARG N N 37 118.862 118.862 119.678 -0.816 19511 3106 1 10 . 1 1 37 37 ARG HA H 37 3.842 3.842 4.224 -0.382 19511 3107 1 10 . 1 1 37 37 ARG CA C 37 57.537 57.537 58.453 -0.916 19511 3108 1 10 . 1 1 37 37 ARG CB C 37 28.496 28.496 29.987 -1.491 19511 3109 1 10 . 1 1 37 37 ARG H H 37 8.762 8.762 8.013 0.749 19511 3110 1 10 . 1 1 38 38 SER N N 38 113.126 113.126 114.667 -1.541 19511 3111 1 10 . 1 1 38 38 SER HA H 38 4.039 4.039 4.607 -0.568 19511 3112 1 10 . 1 1 38 38 SER CA C 38 60.349 60.349 59.750 0.599 19511 3113 1 10 . 1 1 38 38 SER CB C 38 65.383 65.383 63.712 1.671 19511 3114 1 10 . 1 1 38 38 SER H H 38 7.989 7.989 7.778 0.211 19511 3115 1 10 . 1 1 39 39 GLN N N 39 121.461 121.461 123.077 -1.616 19511 3116 1 10 . 1 1 39 39 GLN HA H 39 4.176 4.176 4.039 0.137 19511 3117 1 10 . 1 1 39 39 GLN CA C 39 56.766 56.766 59.201 -2.435 19511 3118 1 10 . 1 1 39 39 GLN CB C 39 25.985 25.985 28.601 -2.616 19511 3119 1 10 . 1 1 39 39 GLN H H 39 8.017 8.017 7.884 0.133 19511 3120 1 10 . 1 1 40 40 ILE N N 40 121.303 121.303 118.452 2.851 19511 3121 1 10 . 1 1 40 40 ILE HA H 40 3.943 3.943 3.766 0.177 19511 3122 1 10 . 1 1 40 40 ILE CA C 40 62.170 62.170 64.631 -2.461 19511 3123 1 10 . 1 1 40 40 ILE CB C 40 35.984 35.984 37.432 -1.448 19511 3124 1 10 . 1 1 40 40 ILE H H 40 8.290 8.290 8.003 0.287 19511 3125 1 10 . 1 1 41 41 ALA N N 41 121.610 121.610 122.513 -0.903 19511 3126 1 10 . 1 1 41 41 ALA HA H 41 3.757 3.757 3.976 -0.219 19511 3127 1 10 . 1 1 41 41 ALA CA C 41 53.812 53.812 54.898 -1.085 19511 3128 1 10 . 1 1 41 41 ALA CB C 41 15.288 15.288 18.148 -2.860 19511 3129 1 10 . 1 1 41 41 ALA H H 41 8.201 8.201 8.057 0.144 19511 3130 1 10 . 1 1 42 42 HIS N N 42 114.498 114.498 114.897 -0.399 19511 3131 1 10 . 1 1 42 42 HIS HA H 42 3.751 3.751 4.494 -0.743 19511 3132 1 10 . 1 1 42 42 HIS CA C 42 53.713 53.713 55.413 -1.700 19511 3133 1 10 . 1 1 42 42 HIS CB C 42 25.282 25.282 30.553 -5.271 19511 3134 1 10 . 1 1 42 42 HIS H H 42 8.136 8.136 7.932 0.204 19511 3135 1 10 . 1 1 43 43 ALA N N 43 121.763 121.763 123.041 -1.278 19511 3136 1 10 . 1 1 43 43 ALA HA H 43 4.118 4.118 4.182 -0.064 19511 3137 1 10 . 1 1 43 43 ALA CA C 43 52.521 52.521 54.474 -1.953 19511 3138 1 10 . 1 1 43 43 ALA CB C 43 16.046 16.046 19.753 -3.707 19511 3139 1 10 . 1 1 43 43 ALA H H 43 8.181 8.181 7.729 0.452 19511 3140 1 10 . 1 1 44 44 LEU N N 44 114.063 114.063 118.165 -4.102 19511 3141 1 10 . 1 1 44 44 LEU HA H 44 4.416 4.416 4.398 0.018 19511 3142 1 10 . 1 1 44 44 LEU CA C 44 51.814 51.814 55.804 -3.990 19511 3143 1 10 . 1 1 44 44 LEU CB C 44 40.181 40.181 42.186 -2.005 19511 3144 1 10 . 1 1 44 44 LEU H H 44 8.016 8.016 7.598 0.418 19511 3145 1 10 . 1 1 45 45 LYS N N 45 116.933 116.933 115.051 1.882 19511 3146 1 10 . 1 1 45 45 LYS HA H 45 4.026 4.026 4.388 -0.362 19511 3147 1 10 . 1 1 45 45 LYS CA C 45 54.887 54.887 56.467 -1.580 19511 3148 1 10 . 1 1 45 45 LYS CB C 45 26.031 26.031 32.561 -6.530 19511 3149 1 10 . 1 1 45 45 LYS H H 45 7.867 7.867 8.213 -0.346 19511 3150 1 10 . 1 1 46 46 LEU N N 46 119.776 119.776 121.381 -1.605 19511 3151 1 10 . 1 1 46 46 LEU HA H 46 4.937 4.937 4.417 0.520 19511 3152 1 10 . 1 1 46 46 LEU CA C 46 49.983 49.983 54.825 -4.842 19511 3153 1 10 . 1 1 46 46 LEU CB C 46 45.389 45.389 42.565 2.824 19511 3154 1 10 . 1 1 46 46 LEU H H 46 8.517 8.517 7.681 0.836 19511 3155 1 10 . 1 1 47 47 SER N N 47 114.945 114.945 115.205 -0.260 19511 3156 1 10 . 1 1 47 47 SER HA H 47 4.856 4.856 4.713 0.143 19511 3157 1 10 . 1 1 47 47 SER CA C 47 54.112 54.112 56.739 -2.627 19511 3158 1 10 . 1 1 47 47 SER CB C 47 62.635 62.635 63.864 -1.229 19511 3159 1 10 . 1 1 47 47 SER H H 47 9.225 9.225 8.492 0.733 19511 3160 1 10 . 1 1 48 48 GLU N N 48 122.216 122.216 128.069 -5.853 19511 3161 1 10 . 1 1 48 48 GLU HA H 48 3.778 3.778 3.995 -0.217 19511 3162 1 10 . 1 1 48 48 GLU CA C 48 58.893 58.893 59.776 -0.883 19511 3163 1 10 . 1 1 48 48 GLU CB C 48 27.002 27.002 29.473 -2.471 19511 3164 1 10 . 1 1 48 48 GLU H H 48 9.278 9.278 9.143 0.135 19511 3165 1 10 . 1 1 49 49 VAL N N 49 118.235 118.235 117.290 0.945 19511 3166 1 10 . 1 1 49 49 VAL HA H 49 3.854 3.854 3.922 -0.068 19511 3167 1 10 . 1 1 49 49 VAL CA C 49 63.808 63.808 64.902 -1.094 19511 3168 1 10 . 1 1 49 49 VAL CB C 49 29.556 29.556 31.276 -1.720 19511 3169 1 10 . 1 1 49 49 VAL H H 49 7.993 7.993 7.965 0.028 19511 3170 1 10 . 1 1 50 50 GLN N N 50 119.879 119.879 118.069 1.810 19511 3171 1 10 . 1 1 50 50 GLN HA H 50 4.296 4.296 4.341 -0.045 19511 3172 1 10 . 1 1 50 50 GLN CA C 50 57.495 57.495 57.389 0.106 19511 3173 1 10 . 1 1 50 50 GLN CB C 50 27.381 27.381 29.894 -2.513 19511 3174 1 10 . 1 1 50 50 GLN H H 50 7.705 7.705 7.790 -0.085 19511 3175 1 10 . 1 1 51 51 VAL N N 51 117.905 117.905 121.414 -3.509 19511 3176 1 10 . 1 1 51 51 VAL HA H 51 3.818 3.818 3.691 0.127 19511 3177 1 10 . 1 1 51 51 VAL CA C 51 64.839 64.839 66.708 -1.869 19511 3178 1 10 . 1 1 51 51 VAL CB C 51 29.968 29.968 31.701 -1.732 19511 3179 1 10 . 1 1 51 51 VAL H H 51 7.629 7.629 8.261 -0.632 19511 3180 1 10 . 1 1 52 52 LYS N N 52 120.669 120.669 120.069 0.600 19511 3181 1 10 . 1 1 52 52 LYS HA H 52 4.168 4.168 4.454 -0.286 19511 3182 1 10 . 1 1 52 52 LYS CA C 52 57.489 57.489 59.476 -1.987 19511 3183 1 10 . 1 1 52 52 LYS CB C 52 30.473 30.473 32.013 -1.540 19511 3184 1 10 . 1 1 52 52 LYS H H 52 8.802 8.802 8.128 0.674 19511 3185 1 10 . 1 1 53 53 ILE N N 53 120.041 120.041 118.939 1.102 19511 3186 1 10 . 1 1 53 53 ILE HA H 53 3.710 3.710 4.057 -0.347 19511 3187 1 10 . 1 1 53 53 ILE CA C 53 61.549 61.549 63.884 -2.335 19511 3188 1 10 . 1 1 53 53 ILE CB C 53 35.022 35.022 37.927 -2.905 19511 3189 1 10 . 1 1 53 53 ILE H H 53 8.711 8.711 7.623 1.088 19511 3190 1 10 . 1 1 54 54 TRP N N 54 123.292 123.292 122.563 0.729 19511 3191 1 10 . 1 1 54 54 TRP HA H 54 4.731 4.731 4.190 0.541 19511 3192 1 10 . 1 1 54 54 TRP CA C 54 60.105 60.105 61.907 -1.802 19511 3193 1 10 . 1 1 54 54 TRP CB C 54 26.108 26.108 29.259 -3.151 19511 3194 1 10 . 1 1 54 54 TRP H H 54 8.467 8.467 8.031 0.436 19511 3195 1 10 . 1 1 55 55 PHE N N 55 118.279 118.279 115.972 2.307 19511 3196 1 10 . 1 1 55 55 PHE HA H 55 3.801 3.801 4.373 -0.572 19511 3197 1 10 . 1 1 55 55 PHE CA C 55 61.097 61.097 60.902 0.195 19511 3198 1 10 . 1 1 55 55 PHE CB C 55 36.812 36.812 38.180 -1.368 19511 3199 1 10 . 1 1 55 55 PHE H H 55 8.923 8.923 7.148 1.775 19511 3200 1 10 . 1 1 56 56 GLN N N 56 117.830 117.830 118.709 -0.879 19511 3201 1 10 . 1 1 56 56 GLN HA H 56 4.036 4.036 4.169 -0.133 19511 3202 1 10 . 1 1 56 56 GLN CA C 56 57.329 57.329 58.580 -1.251 19511 3203 1 10 . 1 1 56 56 GLN CB C 56 25.312 25.312 28.363 -3.051 19511 3204 1 10 . 1 1 56 56 GLN H H 56 7.994 7.994 8.056 -0.062 19511 3205 1 10 . 1 1 57 57 ASN N N 57 119.840 119.840 114.349 5.491 19511 3206 1 10 . 1 1 57 57 ASN HA H 57 4.632 4.632 4.736 -0.104 19511 3207 1 10 . 1 1 57 57 ASN CA C 57 55.637 55.637 53.633 2.004 19511 3208 1 10 . 1 1 57 57 ASN CB C 57 35.824 35.824 38.972 -3.148 19511 3209 1 10 . 1 1 57 57 ASN H H 57 8.715 8.715 7.716 0.999 19511 3210 1 10 . 1 1 58 58 ARG N N 58 125.366 125.366 118.738 6.628 19511 3211 1 10 . 1 1 58 58 ARG HA H 58 3.656 3.656 4.162 -0.506 19511 3212 1 10 . 1 1 58 58 ARG CA C 58 53.865 53.865 55.318 -1.453 19511 3213 1 10 . 1 1 58 58 ARG CB C 58 25.436 25.436 30.098 -4.662 19511 3214 1 10 . 1 1 58 58 ARG H H 58 8.806 8.806 7.806 1.000 19511 3215 1 10 . 1 1 59 59 ARG N N 59 120.172 120.172 120.759 -0.587 19511 3216 1 10 . 1 1 59 59 ARG CB C 59 29.582 29.582 29.806 -0.224 19511 3217 1 10 . 1 1 59 59 ARG H H 59 8.345 8.345 7.871 0.474 19511 3218 1 10 . 1 1 60 60 ALA N N 60 122.418 122.418 118.030 4.388 19511 3219 1 10 . 1 1 60 60 ALA HA H 60 4.420 4.420 4.542 -0.122 19511 3220 1 10 . 1 1 60 60 ALA CA C 60 53.005 53.005 52.178 0.827 19511 3221 1 10 . 1 1 60 60 ALA CB C 60 15.567 15.567 18.566 -2.999 19511 3222 1 10 . 1 1 60 60 ALA H H 60 7.587 7.587 7.962 -0.375 19511 3223 1 10 . 1 1 61 61 LYS N N 61 119.912 119.912 121.491 -1.579 19511 3224 1 10 . 1 1 61 61 LYS HA H 61 4.003 4.003 3.747 0.256 19511 3225 1 10 . 1 1 61 61 LYS CA C 61 57.164 57.164 59.551 -2.388 19511 3226 1 10 . 1 1 61 61 LYS CB C 61 30.390 30.390 31.615 -1.225 19511 3227 1 10 . 1 1 61 61 LYS H H 61 7.856 7.856 7.631 0.225 19511 3228 1 10 . 1 1 62 62 TRP N N 62 119.782 119.782 117.410 2.372 19511 3229 1 10 . 1 1 62 62 TRP HA H 62 4.535 4.535 4.556 -0.021 19511 3230 1 10 . 1 1 62 62 TRP CA C 62 57.359 57.359 59.336 -1.976 19511 3231 1 10 . 1 1 62 62 TRP CB C 62 27.020 27.020 28.808 -1.788 19511 3232 1 10 . 1 1 62 62 TRP H H 62 8.265 8.265 7.695 0.570 19511 3233 1 10 . 1 1 63 63 LYS N N 63 117.139 117.139 120.901 -3.762 19511 3234 1 10 . 1 1 63 63 LYS HA H 63 3.713 3.713 4.074 -0.361 19511 3235 1 10 . 1 1 63 63 LYS CA C 63 56.518 56.518 59.425 -2.907 19511 3236 1 10 . 1 1 63 63 LYS CB C 63 30.224 30.224 32.039 -1.815 19511 3237 1 10 . 1 1 63 63 LYS H H 63 8.262 8.262 7.924 0.338 19511 3238 1 10 . 1 1 64 64 ARG N N 64 118.868 118.868 119.197 -0.329 19511 3239 1 10 . 1 1 64 64 ARG HA H 64 4.192 4.192 4.135 0.057 19511 3240 1 10 . 1 1 64 64 ARG CA C 64 56.249 56.249 58.490 -2.241 19511 3241 1 10 . 1 1 64 64 ARG CB C 64 28.227 28.227 29.741 -1.514 19511 3242 1 10 . 1 1 64 64 ARG H H 64 7.737 7.737 8.123 -0.386 19511 3243 1 10 . 1 1 65 65 ILE N N 65 119.744 119.744 121.053 -1.309 19511 3244 1 10 . 1 1 65 65 ILE HA H 65 4.012 4.012 3.914 0.098 19511 3245 1 10 . 1 1 65 65 ILE CA C 65 60.187 60.187 64.439 -4.252 19511 3246 1 10 . 1 1 65 65 ILE CB C 65 35.588 35.588 38.165 -2.577 19511 3247 1 10 . 1 1 65 65 ILE H H 65 8.010 8.010 7.512 0.498 19511 3248 1 10 . 1 1 66 66 LYS N N 66 122.316 122.316 120.566 1.750 19511 3249 1 10 . 1 1 66 66 LYS HA H 66 4.106 4.106 4.227 -0.121 19511 3250 1 10 . 1 1 66 66 LYS CA C 66 54.657 54.657 55.675 -1.018 19511 3251 1 10 . 1 1 66 66 LYS CB C 66 29.634 29.634 31.133 -1.499 19511 3252 1 10 . 1 1 66 66 LYS H H 66 8.055 8.055 8.101 -0.046 19511 3253 1 10 . 1 1 67 67 ALA N N 67 122.520 122.520 122.322 0.198 19511 3254 1 10 . 1 1 67 67 ALA HA H 67 4.291 4.291 4.370 -0.079 19511 3255 1 10 . 1 1 67 67 ALA CA C 67 50.463 50.463 52.721 -2.258 19511 3256 1 10 . 1 1 67 67 ALA CB C 67 16.535 16.535 19.369 -2.834 19511 3257 1 10 . 1 1 67 67 ALA H H 67 7.846 7.846 7.804 0.042 19511 3258 1 10 . 1 1 68 68 GLY N N 68 106.371 106.371 106.958 -0.587 19511 3259 1 10 . 1 1 68 68 GLY CA C 68 42.991 42.991 45.236 -2.244 19511 3260 1 10 . 1 1 68 68 GLY H H 68 8.053 8.053 9.306 -1.253 19511 3261 1 10 . 1 1 69 69 ASN N N 69 118.766 118.766 117.454 1.312 19511 3262 1 10 . 1 1 69 69 ASN HA H 69 4.832 4.832 5.134 -0.302 19511 3263 1 10 . 1 1 69 69 ASN CA C 69 50.749 50.749 52.139 -1.390 19511 3264 1 10 . 1 1 69 69 ASN CB C 69 36.737 36.737 41.486 -4.749 19511 3265 1 10 . 1 1 69 69 ASN H H 69 8.166 8.166 8.982 -0.816 19511 3266 1 10 . 1 1 70 70 VAL N N 70 119.471 119.471 120.207 -0.736 19511 3267 1 10 . 1 1 70 70 VAL HA H 70 4.265 4.265 4.064 0.201 19511 3268 1 10 . 1 1 70 70 VAL CA C 70 59.765 59.765 62.891 -3.126 19511 3269 1 10 . 1 1 70 70 VAL CB C 70 30.482 30.482 32.290 -1.808 19511 3270 1 10 . 1 1 70 70 VAL H H 70 8.087 8.087 8.794 -0.707 19511 3271 1 11 . 1 1 3 3 PRO HA H 3 4.499 4.499 4.495 0.004 19511 3272 1 11 . 1 1 3 3 PRO CA C 3 61.077 61.077 62.867 -1.790 19511 3273 1 11 . 1 1 3 3 PRO CB C 3 29.635 29.635 32.409 -2.774 19511 3274 1 11 . 1 1 4 4 GLY N N 4 109.482 109.482 108.901 0.581 19511 3275 1 11 . 1 1 4 4 GLY CA C 4 42.963 42.963 44.849 -1.886 19511 3276 1 11 . 1 1 4 4 GLY H H 4 8.521 8.521 8.189 0.332 19511 3277 1 11 . 1 1 5 5 GLY N N 5 108.605 108.605 107.353 1.252 19511 3278 1 11 . 1 1 5 5 GLY CA C 5 42.869 42.869 44.341 -1.472 19511 3279 1 11 . 1 1 5 5 GLY H H 5 8.245 8.245 7.915 0.330 19511 3280 1 11 . 1 1 6 6 LYS N N 6 120.900 120.900 122.066 -1.166 19511 3281 1 11 . 1 1 6 6 LYS HA H 6 4.454 4.454 4.421 0.033 19511 3282 1 11 . 1 1 6 6 LYS CA C 6 53.594 53.594 56.614 -3.020 19511 3283 1 11 . 1 1 6 6 LYS CB C 6 31.034 31.034 32.119 -1.085 19511 3284 1 11 . 1 1 6 6 LYS H H 6 8.201 8.201 8.342 -0.141 19511 3285 1 11 . 1 1 7 7 SER N N 7 118.055 118.055 116.589 1.466 19511 3286 1 11 . 1 1 7 7 SER HA H 7 4.533 4.533 4.554 -0.021 19511 3287 1 11 . 1 1 7 7 SER CA C 7 55.637 55.637 58.598 -2.961 19511 3288 1 11 . 1 1 7 7 SER CB C 7 61.343 61.343 63.759 -2.416 19511 3289 1 11 . 1 1 7 7 SER H H 7 8.425 8.425 8.095 0.330 19511 3290 1 11 . 1 1 8 8 ARG HA H 8 4.547 4.547 4.465 0.082 19511 3291 1 11 . 1 1 8 8 ARG CA C 8 53.146 53.146 55.988 -2.842 19511 3292 1 11 . 1 1 8 8 ARG CB C 8 29.317 29.317 30.510 -1.193 19511 3293 1 11 . 1 1 9 9 ARG N N 9 124.954 124.954 123.458 1.496 19511 3294 1 11 . 1 1 9 9 ARG HA H 9 4.321 4.321 4.131 0.190 19511 3295 1 11 . 1 1 9 9 ARG CA C 9 54.049 54.049 56.599 -2.550 19511 3296 1 11 . 1 1 9 9 ARG CB C 9 28.705 28.705 29.881 -1.176 19511 3297 1 11 . 1 1 9 9 ARG H H 9 9.037 9.037 8.487 0.550 19511 3298 1 11 . 1 1 10 10 ARG N N 10 122.493 122.493 124.228 -1.735 19511 3299 1 11 . 1 1 10 10 ARG HA H 10 4.322 4.322 4.382 -0.060 19511 3300 1 11 . 1 1 10 10 ARG CA C 10 53.971 53.971 56.016 -2.045 19511 3301 1 11 . 1 1 10 10 ARG CB C 10 28.386 28.386 30.926 -2.540 19511 3302 1 11 . 1 1 10 10 ARG H H 10 8.350 8.350 8.177 0.173 19511 3303 1 11 . 1 1 11 11 ARG N N 11 123.361 123.361 120.407 2.954 19511 3304 1 11 . 1 1 11 11 ARG HA H 11 4.312 4.312 4.345 -0.033 19511 3305 1 11 . 1 1 11 11 ARG CA C 11 53.146 53.146 56.734 -3.588 19511 3306 1 11 . 1 1 11 11 ARG CB C 11 30.162 30.162 28.896 1.266 19511 3307 1 11 . 1 1 11 11 ARG H H 11 8.508 8.508 8.488 0.020 19511 3308 1 11 . 1 1 12 12 THR N N 12 126.287 126.287 114.049 12.238 19511 3309 1 11 . 1 1 12 12 THR HA H 12 3.790 3.790 4.350 -0.560 19511 3310 1 11 . 1 1 12 12 THR CA C 12 62.948 62.948 60.970 1.978 19511 3311 1 11 . 1 1 12 12 THR CB C 12 66.854 66.854 70.731 -3.877 19511 3312 1 11 . 1 1 12 12 THR H H 12 8.068 8.068 7.534 0.534 19511 3313 1 11 . 1 1 13 13 ALA N N 13 129.745 129.745 125.888 3.857 19511 3314 1 11 . 1 1 13 13 ALA HA H 13 4.664 4.664 4.510 0.154 19511 3315 1 11 . 1 1 13 13 ALA CA C 13 47.602 47.602 51.752 -4.150 19511 3316 1 11 . 1 1 13 13 ALA CB C 13 16.412 16.412 18.811 -2.399 19511 3317 1 11 . 1 1 13 13 ALA H H 13 8.317 8.317 8.175 0.142 19511 3318 1 11 . 1 1 14 14 PHE N N 14 124.589 124.589 120.266 4.323 19511 3319 1 11 . 1 1 14 14 PHE HA H 14 4.708 4.708 4.509 0.199 19511 3320 1 11 . 1 1 14 14 PHE CA C 14 56.288 56.288 56.876 -0.588 19511 3321 1 11 . 1 1 14 14 PHE CB C 14 38.229 38.229 39.704 -1.475 19511 3322 1 11 . 1 1 14 14 PHE H H 14 8.594 8.594 7.583 1.011 19511 3323 1 11 . 1 1 15 15 THR N N 15 113.746 113.746 114.986 -1.240 19511 3324 1 11 . 1 1 15 15 THR HA H 15 4.575 4.575 4.452 0.123 19511 3325 1 11 . 1 1 15 15 THR CA C 15 58.027 58.027 60.119 -2.092 19511 3326 1 11 . 1 1 15 15 THR CB C 15 68.256 68.256 70.972 -2.716 19511 3327 1 11 . 1 1 15 15 THR H H 15 9.053 9.053 8.124 0.929 19511 3328 1 11 . 1 1 16 16 SER N N 16 116.624 116.624 119.171 -2.547 19511 3329 1 11 . 1 1 16 16 SER HA H 16 4.713 4.713 4.236 0.477 19511 3330 1 11 . 1 1 16 16 SER CA C 16 59.750 59.750 61.315 -1.565 19511 3331 1 11 . 1 1 16 16 SER CB C 16 59.639 59.639 63.187 -3.548 19511 3332 1 11 . 1 1 16 16 SER H H 16 9.092 9.092 8.791 0.301 19511 3333 1 11 . 1 1 17 17 GLU N N 17 120.287 120.287 119.487 0.800 19511 3334 1 11 . 1 1 17 17 GLU HA H 17 4.081 4.081 4.152 -0.071 19511 3335 1 11 . 1 1 17 17 GLU CA C 17 57.565 57.565 58.280 -0.715 19511 3336 1 11 . 1 1 17 17 GLU CB C 17 26.998 26.998 29.663 -2.666 19511 3337 1 11 . 1 1 17 17 GLU H H 17 8.560 8.560 7.995 0.565 19511 3338 1 11 . 1 1 18 18 GLN N N 18 118.169 118.169 117.150 1.019 19511 3339 1 11 . 1 1 18 18 GLN HA H 18 3.898 3.898 4.253 -0.355 19511 3340 1 11 . 1 1 18 18 GLN CA C 18 56.609 56.609 56.881 -0.272 19511 3341 1 11 . 1 1 18 18 GLN CB C 18 32.647 32.647 29.522 3.125 19511 3342 1 11 . 1 1 18 18 GLN H H 18 7.769 7.769 7.782 -0.013 19511 3343 1 11 . 1 1 19 19 LEU N N 19 116.929 116.929 120.554 -3.625 19511 3344 1 11 . 1 1 19 19 LEU HA H 19 3.655 3.655 4.239 -0.584 19511 3345 1 11 . 1 1 19 19 LEU CA C 19 55.390 55.390 55.352 0.038 19511 3346 1 11 . 1 1 19 19 LEU CB C 19 39.414 39.414 41.588 -2.174 19511 3347 1 11 . 1 1 19 19 LEU H H 19 8.227 8.227 7.738 0.489 19511 3348 1 11 . 1 1 20 20 LEU N N 20 118.864 118.864 121.794 -2.930 19511 3349 1 11 . 1 1 20 20 LEU HA H 20 4.034 4.034 3.777 0.257 19511 3350 1 11 . 1 1 20 20 LEU CA C 20 55.765 55.765 59.418 -3.653 19511 3351 1 11 . 1 1 20 20 LEU CB C 20 39.758 39.758 41.691 -1.933 19511 3352 1 11 . 1 1 20 20 LEU H H 20 8.037 8.037 7.654 0.383 19511 3353 1 11 . 1 1 21 21 GLU N N 21 118.147 118.147 117.635 0.512 19511 3354 1 11 . 1 1 21 21 GLU HA H 21 4.159 4.159 3.975 0.184 19511 3355 1 11 . 1 1 21 21 GLU CA C 21 56.062 56.062 59.368 -3.307 19511 3356 1 11 . 1 1 21 21 GLU CB C 21 27.576 27.576 29.034 -1.458 19511 3357 1 11 . 1 1 21 21 GLU H H 21 7.491 7.491 8.375 -0.884 19511 3358 1 11 . 1 1 22 22 LEU N N 22 122.316 122.316 120.667 1.649 19511 3359 1 11 . 1 1 22 22 LEU HA H 22 3.534 3.534 3.723 -0.189 19511 3360 1 11 . 1 1 22 22 LEU CA C 22 56.091 56.091 57.827 -1.736 19511 3361 1 11 . 1 1 22 22 LEU CB C 22 35.557 35.557 41.530 -5.973 19511 3362 1 11 . 1 1 22 22 LEU H H 22 8.254 8.254 7.823 0.431 19511 3363 1 11 . 1 1 23 23 GLU N N 23 117.645 117.645 118.009 -0.364 19511 3364 1 11 . 1 1 23 23 GLU HA H 23 4.319 4.319 4.137 0.182 19511 3365 1 11 . 1 1 23 23 GLU CA C 23 56.627 56.627 59.286 -2.659 19511 3366 1 11 . 1 1 23 23 GLU CB C 23 26.800 26.800 29.537 -2.737 19511 3367 1 11 . 1 1 23 23 GLU H H 23 8.084 8.084 7.984 0.100 19511 3368 1 11 . 1 1 24 24 LYS N N 24 120.989 120.989 119.236 1.753 19511 3369 1 11 . 1 1 24 24 LYS HA H 24 4.088 4.088 4.135 -0.047 19511 3370 1 11 . 1 1 24 24 LYS CA C 24 57.392 57.392 59.188 -1.796 19511 3371 1 11 . 1 1 24 24 LYS H H 24 7.884 7.884 7.817 0.067 19511 3372 1 11 . 1 1 25 25 GLU N N 25 119.686 119.686 118.604 1.082 19511 3373 1 11 . 1 1 25 25 GLU HA H 25 4.325 4.325 4.202 0.123 19511 3374 1 11 . 1 1 25 25 GLU CA C 25 56.529 56.529 59.100 -2.571 19511 3375 1 11 . 1 1 25 25 GLU CB C 25 26.344 26.344 29.584 -3.240 19511 3376 1 11 . 1 1 25 25 GLU H H 25 8.179 8.179 8.287 -0.108 19511 3377 1 11 . 1 1 26 26 PHE N N 26 121.229 121.229 118.186 3.043 19511 3378 1 11 . 1 1 26 26 PHE HA H 26 4.769 4.769 4.865 -0.096 19511 3379 1 11 . 1 1 26 26 PHE CA C 26 57.746 57.746 56.957 0.789 19511 3380 1 11 . 1 1 26 26 PHE CB C 26 41.554 41.554 38.499 3.055 19511 3381 1 11 . 1 1 26 26 PHE H H 26 8.896 8.896 7.784 1.112 19511 3382 1 11 . 1 1 27 27 HIS N N 27 115.789 115.789 119.493 -3.704 19511 3383 1 11 . 1 1 27 27 HIS HA H 27 4.069 4.069 4.441 -0.372 19511 3384 1 11 . 1 1 27 27 HIS CA C 27 56.598 56.598 58.583 -1.985 19511 3385 1 11 . 1 1 27 27 HIS CB C 27 27.235 27.235 29.943 -2.708 19511 3386 1 11 . 1 1 27 27 HIS H H 27 8.110 8.110 7.803 0.307 19511 3387 1 11 . 1 1 28 28 CYS N N 28 115.311 115.311 116.964 -1.653 19511 3388 1 11 . 1 1 28 28 CYS HA H 28 4.553 4.553 4.077 0.476 19511 3389 1 11 . 1 1 28 28 CYS CA C 28 54.270 54.270 60.377 -6.106 19511 3390 1 11 . 1 1 28 28 CYS CB C 28 39.551 39.551 28.576 10.976 19511 3391 1 11 . 1 1 28 28 CYS H H 28 7.470 7.470 8.284 -0.814 19511 3392 1 11 . 1 1 29 29 LYS N N 29 122.013 122.013 117.906 4.107 19511 3393 1 11 . 1 1 29 29 LYS HA H 29 4.412 4.412 4.287 0.125 19511 3394 1 11 . 1 1 29 29 LYS CA C 29 53.840 53.840 54.644 -0.804 19511 3395 1 11 . 1 1 29 29 LYS CB C 29 32.448 32.448 33.574 -1.126 19511 3396 1 11 . 1 1 29 29 LYS H H 29 8.648 8.648 7.392 1.256 19511 3397 1 11 . 1 1 30 30 LYS N N 30 117.519 117.519 119.556 -2.037 19511 3398 1 11 . 1 1 30 30 LYS HA H 30 3.837 3.837 4.008 -0.171 19511 3399 1 11 . 1 1 30 30 LYS CA C 30 53.748 53.748 57.338 -3.590 19511 3400 1 11 . 1 1 30 30 LYS CB C 30 30.195 30.195 32.624 -2.429 19511 3401 1 11 . 1 1 30 30 LYS H H 30 7.887 7.887 8.109 -0.222 19511 3402 1 11 . 1 1 31 31 TYR N N 31 112.770 112.770 114.776 -2.006 19511 3403 1 11 . 1 1 31 31 TYR HA H 31 4.591 4.591 5.035 -0.444 19511 3404 1 11 . 1 1 31 31 TYR CA C 31 53.415 53.415 55.182 -1.768 19511 3405 1 11 . 1 1 31 31 TYR CB C 31 39.905 39.905 39.945 -0.040 19511 3406 1 11 . 1 1 31 31 TYR H H 31 7.368 7.368 6.848 0.520 19511 3407 1 11 . 1 1 32 32 LEU N N 32 120.286 120.286 121.744 -1.458 19511 3408 1 11 . 1 1 32 32 LEU HA H 32 4.766 4.766 4.738 0.028 19511 3409 1 11 . 1 1 32 32 LEU CA C 32 50.290 50.290 54.709 -4.419 19511 3410 1 11 . 1 1 32 32 LEU CB C 32 42.846 42.846 43.740 -0.894 19511 3411 1 11 . 1 1 32 32 LEU H H 32 8.442 8.442 8.338 0.104 19511 3412 1 11 . 1 1 33 33 SER N N 33 120.490 120.490 120.608 -0.118 19511 3413 1 11 . 1 1 33 33 SER HA H 33 4.045 4.045 4.416 -0.371 19511 3414 1 11 . 1 1 33 33 SER CA C 33 54.957 54.957 58.746 -3.789 19511 3415 1 11 . 1 1 33 33 SER CB C 33 63.875 63.875 62.411 1.464 19511 3416 1 11 . 1 1 33 33 SER H H 33 9.439 9.439 9.411 0.028 19511 3417 1 11 . 1 1 34 34 LEU N N 34 121.725 121.725 125.240 -3.515 19511 3418 1 11 . 1 1 34 34 LEU HA H 34 4.059 4.059 3.882 0.177 19511 3419 1 11 . 1 1 34 34 LEU CA C 34 56.683 56.683 58.400 -1.716 19511 3420 1 11 . 1 1 34 34 LEU CB C 34 38.920 38.920 39.864 -0.944 19511 3421 1 11 . 1 1 34 34 LEU H H 34 8.886 8.886 8.650 0.236 19511 3422 1 11 . 1 1 35 35 THR N N 35 113.779 113.779 114.853 -1.074 19511 3423 1 11 . 1 1 35 35 THR HA H 35 4.047 4.047 3.928 0.119 19511 3424 1 11 . 1 1 35 35 THR CA C 35 63.322 63.322 65.606 -2.284 19511 3425 1 11 . 1 1 35 35 THR CB C 35 65.973 65.973 68.578 -2.605 19511 3426 1 11 . 1 1 35 35 THR H H 35 8.142 8.142 8.123 0.019 19511 3427 1 11 . 1 1 36 36 GLU N N 36 122.728 122.728 120.380 2.348 19511 3428 1 11 . 1 1 36 36 GLU HA H 36 4.036 4.036 3.956 0.080 19511 3429 1 11 . 1 1 36 36 GLU CA C 36 56.454 56.454 59.872 -3.418 19511 3430 1 11 . 1 1 36 36 GLU CB C 36 27.949 27.949 29.265 -1.316 19511 3431 1 11 . 1 1 36 36 GLU H H 36 7.658 7.658 8.138 -0.480 19511 3432 1 11 . 1 1 37 37 ARG N N 37 118.862 118.862 118.568 0.294 19511 3433 1 11 . 1 1 37 37 ARG HA H 37 3.842 3.842 3.936 -0.094 19511 3434 1 11 . 1 1 37 37 ARG CA C 37 57.537 57.537 60.101 -2.564 19511 3435 1 11 . 1 1 37 37 ARG CB C 37 28.496 28.496 30.045 -1.549 19511 3436 1 11 . 1 1 37 37 ARG H H 37 8.762 8.762 8.409 0.353 19511 3437 1 11 . 1 1 38 38 SER N N 38 113.126 113.126 113.675 -0.549 19511 3438 1 11 . 1 1 38 38 SER HA H 38 4.039 4.039 4.323 -0.284 19511 3439 1 11 . 1 1 38 38 SER CA C 38 60.349 60.349 60.146 0.203 19511 3440 1 11 . 1 1 38 38 SER CB C 38 65.383 65.383 62.304 3.079 19511 3441 1 11 . 1 1 38 38 SER H H 38 7.989 7.989 7.694 0.295 19511 3442 1 11 . 1 1 39 39 GLN N N 39 121.461 121.461 121.377 0.084 19511 3443 1 11 . 1 1 39 39 GLN HA H 39 4.176 4.176 4.050 0.126 19511 3444 1 11 . 1 1 39 39 GLN CA C 39 56.766 56.766 58.589 -1.823 19511 3445 1 11 . 1 1 39 39 GLN CB C 39 25.985 25.985 28.875 -2.890 19511 3446 1 11 . 1 1 39 39 GLN H H 39 8.017 8.017 7.354 0.663 19511 3447 1 11 . 1 1 40 40 ILE N N 40 121.303 121.303 121.071 0.232 19511 3448 1 11 . 1 1 40 40 ILE HA H 40 3.943 3.943 3.575 0.368 19511 3449 1 11 . 1 1 40 40 ILE CA C 40 62.170 62.170 64.965 -2.795 19511 3450 1 11 . 1 1 40 40 ILE CB C 40 35.984 35.984 37.437 -1.453 19511 3451 1 11 . 1 1 40 40 ILE H H 40 8.290 8.290 7.490 0.800 19511 3452 1 11 . 1 1 41 41 ALA N N 41 121.610 121.610 119.613 1.997 19511 3453 1 11 . 1 1 41 41 ALA HA H 41 3.757 3.757 3.961 -0.204 19511 3454 1 11 . 1 1 41 41 ALA CA C 41 53.812 53.812 54.390 -0.578 19511 3455 1 11 . 1 1 41 41 ALA CB C 41 15.288 15.288 18.337 -3.050 19511 3456 1 11 . 1 1 41 41 ALA H H 41 8.201 8.201 7.915 0.286 19511 3457 1 11 . 1 1 42 42 HIS N N 42 114.498 114.498 113.486 1.012 19511 3458 1 11 . 1 1 42 42 HIS HA H 42 3.751 3.751 4.583 -0.832 19511 3459 1 11 . 1 1 42 42 HIS CA C 42 53.713 53.713 55.343 -1.630 19511 3460 1 11 . 1 1 42 42 HIS CB C 42 25.282 25.282 31.509 -6.227 19511 3461 1 11 . 1 1 42 42 HIS H H 42 8.136 8.136 7.902 0.234 19511 3462 1 11 . 1 1 43 43 ALA N N 43 121.763 121.763 122.166 -0.403 19511 3463 1 11 . 1 1 43 43 ALA HA H 43 4.118 4.118 4.320 -0.202 19511 3464 1 11 . 1 1 43 43 ALA CA C 43 52.521 52.521 53.716 -1.195 19511 3465 1 11 . 1 1 43 43 ALA CB C 43 16.046 16.046 20.010 -3.964 19511 3466 1 11 . 1 1 43 43 ALA H H 43 8.181 8.181 7.750 0.431 19511 3467 1 11 . 1 1 44 44 LEU N N 44 114.063 114.063 118.895 -4.832 19511 3468 1 11 . 1 1 44 44 LEU HA H 44 4.416 4.416 4.155 0.261 19511 3469 1 11 . 1 1 44 44 LEU CA C 44 51.814 51.814 56.493 -4.679 19511 3470 1 11 . 1 1 44 44 LEU CB C 44 40.181 40.181 43.154 -2.973 19511 3471 1 11 . 1 1 44 44 LEU H H 44 8.016 8.016 7.889 0.127 19511 3472 1 11 . 1 1 45 45 LYS N N 45 116.933 116.933 113.923 3.010 19511 3473 1 11 . 1 1 45 45 LYS HA H 45 4.026 4.026 4.439 -0.413 19511 3474 1 11 . 1 1 45 45 LYS CA C 45 54.887 54.887 56.090 -1.203 19511 3475 1 11 . 1 1 45 45 LYS CB C 45 26.031 26.031 33.355 -7.324 19511 3476 1 11 . 1 1 45 45 LYS H H 45 7.867 7.867 8.181 -0.314 19511 3477 1 11 . 1 1 46 46 LEU N N 46 119.776 119.776 119.476 0.300 19511 3478 1 11 . 1 1 46 46 LEU HA H 46 4.937 4.937 4.456 0.481 19511 3479 1 11 . 1 1 46 46 LEU CA C 46 49.983 49.983 53.468 -3.485 19511 3480 1 11 . 1 1 46 46 LEU CB C 46 45.389 45.389 43.444 1.945 19511 3481 1 11 . 1 1 46 46 LEU H H 46 8.517 8.517 7.485 1.032 19511 3482 1 11 . 1 1 47 47 SER N N 47 114.945 114.945 114.699 0.246 19511 3483 1 11 . 1 1 47 47 SER HA H 47 4.856 4.856 4.737 0.119 19511 3484 1 11 . 1 1 47 47 SER CA C 47 54.112 54.112 57.316 -3.204 19511 3485 1 11 . 1 1 47 47 SER CB C 47 62.635 62.635 64.964 -2.329 19511 3486 1 11 . 1 1 47 47 SER H H 47 9.225 9.225 8.617 0.608 19511 3487 1 11 . 1 1 48 48 GLU N N 48 122.216 122.216 126.151 -3.935 19511 3488 1 11 . 1 1 48 48 GLU HA H 48 3.778 3.778 4.015 -0.237 19511 3489 1 11 . 1 1 48 48 GLU CA C 48 58.893 58.893 60.358 -1.465 19511 3490 1 11 . 1 1 48 48 GLU CB C 48 27.002 27.002 28.774 -1.772 19511 3491 1 11 . 1 1 48 48 GLU H H 48 9.278 9.278 9.178 0.100 19511 3492 1 11 . 1 1 49 49 VAL N N 49 118.235 118.235 118.573 -0.338 19511 3493 1 11 . 1 1 49 49 VAL HA H 49 3.854 3.854 3.805 0.049 19511 3494 1 11 . 1 1 49 49 VAL CA C 49 63.808 63.808 66.580 -2.772 19511 3495 1 11 . 1 1 49 49 VAL CB C 49 29.556 29.556 31.010 -1.454 19511 3496 1 11 . 1 1 49 49 VAL H H 49 7.993 7.993 8.188 -0.195 19511 3497 1 11 . 1 1 50 50 GLN N N 50 119.879 119.879 118.603 1.276 19511 3498 1 11 . 1 1 50 50 GLN HA H 50 4.296 4.296 4.144 0.152 19511 3499 1 11 . 1 1 50 50 GLN CA C 50 57.495 57.495 58.473 -0.978 19511 3500 1 11 . 1 1 50 50 GLN CB C 50 27.381 27.381 28.012 -0.631 19511 3501 1 11 . 1 1 50 50 GLN H H 50 7.705 7.705 7.980 -0.275 19511 3502 1 11 . 1 1 51 51 VAL N N 51 117.905 117.905 120.357 -2.452 19511 3503 1 11 . 1 1 51 51 VAL HA H 51 3.818 3.818 3.856 -0.038 19511 3504 1 11 . 1 1 51 51 VAL CA C 51 64.839 64.839 66.347 -1.508 19511 3505 1 11 . 1 1 51 51 VAL CB C 51 29.968 29.968 31.389 -1.421 19511 3506 1 11 . 1 1 51 51 VAL H H 51 7.629 7.629 8.857 -1.228 19511 3507 1 11 . 1 1 52 52 LYS N N 52 120.669 120.669 119.630 1.039 19511 3508 1 11 . 1 1 52 52 LYS HA H 52 4.168 4.168 4.239 -0.071 19511 3509 1 11 . 1 1 52 52 LYS CA C 52 57.489 57.489 59.734 -2.245 19511 3510 1 11 . 1 1 52 52 LYS CB C 52 30.473 30.473 32.512 -2.039 19511 3511 1 11 . 1 1 52 52 LYS H H 52 8.802 8.802 7.916 0.886 19511 3512 1 11 . 1 1 53 53 ILE N N 53 120.041 120.041 117.969 2.072 19511 3513 1 11 . 1 1 53 53 ILE HA H 53 3.710 3.710 3.844 -0.134 19511 3514 1 11 . 1 1 53 53 ILE CA C 53 61.549 61.549 63.545 -1.996 19511 3515 1 11 . 1 1 53 53 ILE CB C 53 35.022 35.022 38.257 -3.235 19511 3516 1 11 . 1 1 53 53 ILE H H 53 8.711 8.711 7.735 0.976 19511 3517 1 11 . 1 1 54 54 TRP N N 54 123.292 123.292 123.193 0.099 19511 3518 1 11 . 1 1 54 54 TRP HA H 54 4.731 4.731 4.272 0.459 19511 3519 1 11 . 1 1 54 54 TRP CA C 54 60.105 60.105 61.589 -1.484 19511 3520 1 11 . 1 1 54 54 TRP CB C 54 26.108 26.108 29.869 -3.760 19511 3521 1 11 . 1 1 54 54 TRP H H 54 8.467 8.467 8.077 0.390 19511 3522 1 11 . 1 1 55 55 PHE N N 55 118.279 118.279 114.666 3.613 19511 3523 1 11 . 1 1 55 55 PHE HA H 55 3.801 3.801 4.787 -0.986 19511 3524 1 11 . 1 1 55 55 PHE CA C 55 61.097 61.097 58.963 2.134 19511 3525 1 11 . 1 1 55 55 PHE CB C 55 36.812 36.812 38.307 -1.495 19511 3526 1 11 . 1 1 55 55 PHE H H 55 8.923 8.923 7.771 1.152 19511 3527 1 11 . 1 1 56 56 GLN N N 56 117.830 117.830 121.380 -3.550 19511 3528 1 11 . 1 1 56 56 GLN HA H 56 4.036 4.036 3.705 0.331 19511 3529 1 11 . 1 1 56 56 GLN CA C 56 57.329 57.329 58.922 -1.593 19511 3530 1 11 . 1 1 56 56 GLN CB C 56 25.312 25.312 28.032 -2.720 19511 3531 1 11 . 1 1 56 56 GLN H H 56 7.994 7.994 7.469 0.525 19511 3532 1 11 . 1 1 57 57 ASN N N 57 119.840 119.840 116.550 3.290 19511 3533 1 11 . 1 1 57 57 ASN HA H 57 4.632 4.632 4.367 0.265 19511 3534 1 11 . 1 1 57 57 ASN CA C 57 55.637 55.637 55.690 -0.053 19511 3535 1 11 . 1 1 57 57 ASN CB C 57 35.824 35.824 38.396 -2.572 19511 3536 1 11 . 1 1 57 57 ASN H H 57 8.715 8.715 8.324 0.391 19511 3537 1 11 . 1 1 58 58 ARG N N 58 125.366 125.366 117.193 8.173 19511 3538 1 11 . 1 1 58 58 ARG HA H 58 3.656 3.656 4.231 -0.575 19511 3539 1 11 . 1 1 58 58 ARG CA C 58 53.865 53.865 55.993 -2.128 19511 3540 1 11 . 1 1 58 58 ARG CB C 58 25.436 25.436 30.810 -5.374 19511 3541 1 11 . 1 1 58 58 ARG H H 58 8.806 8.806 7.684 1.122 19511 3542 1 11 . 1 1 59 59 ARG N N 59 120.172 120.172 120.119 0.053 19511 3543 1 11 . 1 1 59 59 ARG CB C 59 29.582 29.582 30.214 -0.632 19511 3544 1 11 . 1 1 59 59 ARG H H 59 8.345 8.345 8.075 0.270 19511 3545 1 11 . 1 1 60 60 ALA N N 60 122.418 122.418 119.055 3.363 19511 3546 1 11 . 1 1 60 60 ALA HA H 60 4.420 4.420 4.634 -0.214 19511 3547 1 11 . 1 1 60 60 ALA CA C 60 53.005 53.005 51.490 1.515 19511 3548 1 11 . 1 1 60 60 ALA CB C 60 15.567 15.567 18.734 -3.167 19511 3549 1 11 . 1 1 60 60 ALA H H 60 7.587 7.587 8.097 -0.510 19511 3550 1 11 . 1 1 61 61 LYS N N 61 119.912 119.912 121.503 -1.591 19511 3551 1 11 . 1 1 61 61 LYS HA H 61 4.003 4.003 3.836 0.167 19511 3552 1 11 . 1 1 61 61 LYS CA C 61 57.164 57.164 59.564 -2.400 19511 3553 1 11 . 1 1 61 61 LYS CB C 61 30.390 30.390 31.889 -1.499 19511 3554 1 11 . 1 1 61 61 LYS H H 61 7.856 7.856 7.303 0.553 19511 3555 1 11 . 1 1 62 62 TRP N N 62 119.782 119.782 117.095 2.687 19511 3556 1 11 . 1 1 62 62 TRP HA H 62 4.535 4.535 4.495 0.040 19511 3557 1 11 . 1 1 62 62 TRP CA C 62 57.359 57.359 59.532 -2.173 19511 3558 1 11 . 1 1 62 62 TRP CB C 62 27.020 27.020 28.983 -1.963 19511 3559 1 11 . 1 1 62 62 TRP H H 62 8.265 8.265 7.734 0.531 19511 3560 1 11 . 1 1 63 63 LYS N N 63 117.139 117.139 118.724 -1.585 19511 3561 1 11 . 1 1 63 63 LYS HA H 63 3.713 3.713 4.091 -0.378 19511 3562 1 11 . 1 1 63 63 LYS CA C 63 56.518 56.518 58.776 -2.258 19511 3563 1 11 . 1 1 63 63 LYS CB C 63 30.224 30.224 31.872 -1.648 19511 3564 1 11 . 1 1 63 63 LYS H H 63 8.262 8.262 8.211 0.051 19511 3565 1 11 . 1 1 64 64 ARG N N 64 118.868 118.868 116.473 2.395 19511 3566 1 11 . 1 1 64 64 ARG HA H 64 4.192 4.192 4.162 0.030 19511 3567 1 11 . 1 1 64 64 ARG CA C 64 56.249 56.249 57.778 -1.528 19511 3568 1 11 . 1 1 64 64 ARG CB C 64 28.227 28.227 30.403 -2.176 19511 3569 1 11 . 1 1 64 64 ARG H H 64 7.737 7.737 7.775 -0.038 19511 3570 1 11 . 1 1 65 65 ILE N N 65 119.744 119.744 115.987 3.757 19511 3571 1 11 . 1 1 65 65 ILE HA H 65 4.012 4.012 4.231 -0.219 19511 3572 1 11 . 1 1 65 65 ILE CA C 65 60.187 60.187 61.940 -1.753 19511 3573 1 11 . 1 1 65 65 ILE CB C 65 35.588 35.588 39.938 -4.349 19511 3574 1 11 . 1 1 65 65 ILE H H 65 8.010 8.010 7.914 0.096 19511 3575 1 11 . 1 1 66 66 LYS N N 66 122.316 122.316 120.377 1.939 19511 3576 1 11 . 1 1 66 66 LYS HA H 66 4.106 4.106 4.492 -0.386 19511 3577 1 11 . 1 1 66 66 LYS CA C 66 54.657 54.657 55.402 -0.745 19511 3578 1 11 . 1 1 66 66 LYS CB C 66 29.634 29.634 33.425 -3.791 19511 3579 1 11 . 1 1 66 66 LYS H H 66 8.055 8.055 7.624 0.431 19511 3580 1 11 . 1 1 67 67 ALA N N 67 122.520 122.520 121.858 0.662 19511 3581 1 11 . 1 1 67 67 ALA HA H 67 4.291 4.291 4.642 -0.351 19511 3582 1 11 . 1 1 67 67 ALA CA C 67 50.463 50.463 52.366 -1.903 19511 3583 1 11 . 1 1 67 67 ALA CB C 67 16.535 16.535 19.626 -3.091 19511 3584 1 11 . 1 1 67 67 ALA H H 67 7.846 7.846 8.058 -0.212 19511 3585 1 11 . 1 1 68 68 GLY N N 68 106.371 106.371 108.187 -1.816 19511 3586 1 11 . 1 1 68 68 GLY CA C 68 42.991 42.991 44.651 -1.659 19511 3587 1 11 . 1 1 68 68 GLY H H 68 8.053 8.053 8.741 -0.688 19511 3588 1 11 . 1 1 69 69 ASN N N 69 118.766 118.766 117.871 0.895 19511 3589 1 11 . 1 1 69 69 ASN HA H 69 4.832 4.832 4.913 -0.081 19511 3590 1 11 . 1 1 69 69 ASN CA C 69 50.749 50.749 52.475 -1.726 19511 3591 1 11 . 1 1 69 69 ASN CB C 69 36.737 36.737 39.555 -2.818 19511 3592 1 11 . 1 1 69 69 ASN H H 69 8.166 8.166 8.373 -0.207 19511 3593 1 11 . 1 1 70 70 VAL N N 70 119.471 119.471 122.120 -2.649 19511 3594 1 11 . 1 1 70 70 VAL HA H 70 4.265 4.265 4.321 -0.056 19511 3595 1 11 . 1 1 70 70 VAL CA C 70 59.765 59.765 62.311 -2.546 19511 3596 1 11 . 1 1 70 70 VAL CB C 70 30.482 30.482 32.555 -2.073 19511 3597 1 11 . 1 1 70 70 VAL H H 70 8.087 8.087 8.463 -0.376 19511 3598 1 12 . 1 1 3 3 PRO HA H 3 4.499 4.499 4.706 -0.207 19511 3599 1 12 . 1 1 3 3 PRO CA C 3 61.077 61.077 63.113 -2.036 19511 3600 1 12 . 1 1 3 3 PRO CB C 3 29.635 29.635 32.511 -2.876 19511 3601 1 12 . 1 1 4 4 GLY N N 4 109.482 109.482 108.841 0.641 19511 3602 1 12 . 1 1 4 4 GLY CA C 4 42.963 42.963 44.880 -1.917 19511 3603 1 12 . 1 1 4 4 GLY H H 4 8.521 8.521 8.331 0.190 19511 3604 1 12 . 1 1 5 5 GLY N N 5 108.605 108.605 107.813 0.792 19511 3605 1 12 . 1 1 5 5 GLY CA C 5 42.869 42.869 44.277 -1.408 19511 3606 1 12 . 1 1 5 5 GLY H H 5 8.245 8.245 8.880 -0.635 19511 3607 1 12 . 1 1 6 6 LYS N N 6 120.900 120.900 120.943 -0.043 19511 3608 1 12 . 1 1 6 6 LYS HA H 6 4.454 4.454 4.511 -0.057 19511 3609 1 12 . 1 1 6 6 LYS CA C 6 53.594 53.594 56.189 -2.595 19511 3610 1 12 . 1 1 6 6 LYS CB C 6 31.034 31.034 34.328 -3.295 19511 3611 1 12 . 1 1 6 6 LYS H H 6 8.201 8.201 8.346 -0.145 19511 3612 1 12 . 1 1 7 7 SER N N 7 118.055 118.055 116.289 1.766 19511 3613 1 12 . 1 1 7 7 SER HA H 7 4.533 4.533 4.603 -0.070 19511 3614 1 12 . 1 1 7 7 SER CA C 7 55.637 55.637 57.604 -1.967 19511 3615 1 12 . 1 1 7 7 SER CB C 7 61.343 61.343 64.816 -3.473 19511 3616 1 12 . 1 1 7 7 SER H H 7 8.425 8.425 8.295 0.130 19511 3617 1 12 . 1 1 8 8 ARG HA H 8 4.547 4.547 4.721 -0.174 19511 3618 1 12 . 1 1 8 8 ARG CA C 8 53.146 53.146 55.664 -2.518 19511 3619 1 12 . 1 1 8 8 ARG CB C 8 29.317 29.317 29.434 -0.117 19511 3620 1 12 . 1 1 9 9 ARG N N 9 124.954 124.954 122.197 2.757 19511 3621 1 12 . 1 1 9 9 ARG HA H 9 4.321 4.321 4.538 -0.217 19511 3622 1 12 . 1 1 9 9 ARG CA C 9 54.049 54.049 55.336 -1.287 19511 3623 1 12 . 1 1 9 9 ARG CB C 9 28.705 28.705 33.659 -4.954 19511 3624 1 12 . 1 1 9 9 ARG H H 9 9.037 9.037 8.321 0.716 19511 3625 1 12 . 1 1 10 10 ARG N N 10 122.493 122.493 124.137 -1.644 19511 3626 1 12 . 1 1 10 10 ARG HA H 10 4.322 4.322 4.257 0.065 19511 3627 1 12 . 1 1 10 10 ARG CA C 10 53.971 53.971 56.452 -2.481 19511 3628 1 12 . 1 1 10 10 ARG CB C 10 28.386 28.386 28.452 -0.066 19511 3629 1 12 . 1 1 10 10 ARG H H 10 8.350 8.350 8.853 -0.503 19511 3630 1 12 . 1 1 11 11 ARG N N 11 123.361 123.361 122.932 0.429 19511 3631 1 12 . 1 1 11 11 ARG HA H 11 4.312 4.312 4.210 0.102 19511 3632 1 12 . 1 1 11 11 ARG CA C 11 53.146 53.146 55.650 -2.503 19511 3633 1 12 . 1 1 11 11 ARG CB C 11 30.162 30.162 28.554 1.608 19511 3634 1 12 . 1 1 11 11 ARG H H 11 8.508 8.508 7.984 0.524 19511 3635 1 12 . 1 1 12 12 THR N N 12 126.287 126.287 116.609 9.678 19511 3636 1 12 . 1 1 12 12 THR HA H 12 3.790 3.790 3.756 0.034 19511 3637 1 12 . 1 1 12 12 THR CA C 12 62.948 62.948 63.197 -0.249 19511 3638 1 12 . 1 1 12 12 THR CB C 12 66.854 66.854 69.121 -2.267 19511 3639 1 12 . 1 1 12 12 THR H H 12 8.068 8.068 7.807 0.261 19511 3640 1 12 . 1 1 13 13 ALA N N 13 129.745 129.745 128.147 1.598 19511 3641 1 12 . 1 1 13 13 ALA HA H 13 4.664 4.664 4.426 0.238 19511 3642 1 12 . 1 1 13 13 ALA CA C 13 47.602 47.602 51.762 -4.160 19511 3643 1 12 . 1 1 13 13 ALA CB C 13 16.412 16.412 19.005 -2.593 19511 3644 1 12 . 1 1 13 13 ALA H H 13 8.317 8.317 7.994 0.323 19511 3645 1 12 . 1 1 14 14 PHE N N 14 124.589 124.589 119.154 5.435 19511 3646 1 12 . 1 1 14 14 PHE HA H 14 4.708 4.708 5.036 -0.328 19511 3647 1 12 . 1 1 14 14 PHE CA C 14 56.288 56.288 58.179 -1.891 19511 3648 1 12 . 1 1 14 14 PHE CB C 14 38.229 38.229 39.652 -1.423 19511 3649 1 12 . 1 1 14 14 PHE H H 14 8.594 8.594 8.158 0.436 19511 3650 1 12 . 1 1 15 15 THR N N 15 113.746 113.746 111.932 1.814 19511 3651 1 12 . 1 1 15 15 THR HA H 15 4.575 4.575 4.616 -0.041 19511 3652 1 12 . 1 1 15 15 THR CA C 15 58.027 58.027 59.929 -1.902 19511 3653 1 12 . 1 1 15 15 THR CB C 15 68.256 68.256 70.675 -2.419 19511 3654 1 12 . 1 1 15 15 THR H H 15 9.053 9.053 8.111 0.942 19511 3655 1 12 . 1 1 16 16 SER N N 16 116.624 116.624 120.028 -3.404 19511 3656 1 12 . 1 1 16 16 SER HA H 16 4.713 4.713 4.199 0.514 19511 3657 1 12 . 1 1 16 16 SER CA C 16 59.750 59.750 60.976 -1.226 19511 3658 1 12 . 1 1 16 16 SER CB C 16 59.639 59.639 63.044 -3.405 19511 3659 1 12 . 1 1 16 16 SER H H 16 9.092 9.092 8.722 0.370 19511 3660 1 12 . 1 1 17 17 GLU N N 17 120.287 120.287 119.186 1.101 19511 3661 1 12 . 1 1 17 17 GLU HA H 17 4.081 4.081 4.127 -0.046 19511 3662 1 12 . 1 1 17 17 GLU CA C 17 57.565 57.565 57.851 -0.286 19511 3663 1 12 . 1 1 17 17 GLU CB C 17 26.998 26.998 29.720 -2.722 19511 3664 1 12 . 1 1 17 17 GLU H H 17 8.560 8.560 8.011 0.549 19511 3665 1 12 . 1 1 18 18 GLN N N 18 118.169 118.169 115.659 2.510 19511 3666 1 12 . 1 1 18 18 GLN HA H 18 3.898 3.898 4.357 -0.459 19511 3667 1 12 . 1 1 18 18 GLN CA C 18 56.609 56.609 56.057 0.552 19511 3668 1 12 . 1 1 18 18 GLN CB C 18 32.647 32.647 30.171 2.476 19511 3669 1 12 . 1 1 18 18 GLN H H 18 7.769 7.769 7.739 0.030 19511 3670 1 12 . 1 1 19 19 LEU N N 19 116.929 116.929 121.902 -4.973 19511 3671 1 12 . 1 1 19 19 LEU HA H 19 3.655 3.655 3.960 -0.305 19511 3672 1 12 . 1 1 19 19 LEU CA C 19 55.390 55.390 56.403 -1.013 19511 3673 1 12 . 1 1 19 19 LEU CB C 19 39.414 39.414 41.329 -1.915 19511 3674 1 12 . 1 1 19 19 LEU H H 19 8.227 8.227 8.285 -0.058 19511 3675 1 12 . 1 1 20 20 LEU N N 20 118.864 118.864 121.100 -2.236 19511 3676 1 12 . 1 1 20 20 LEU HA H 20 4.034 4.034 3.851 0.183 19511 3677 1 12 . 1 1 20 20 LEU CA C 20 55.765 55.765 59.331 -3.566 19511 3678 1 12 . 1 1 20 20 LEU CB C 20 39.758 39.758 41.316 -1.558 19511 3679 1 12 . 1 1 20 20 LEU H H 20 8.037 8.037 7.855 0.182 19511 3680 1 12 . 1 1 21 21 GLU N N 21 118.147 118.147 117.926 0.221 19511 3681 1 12 . 1 1 21 21 GLU HA H 21 4.159 4.159 3.982 0.177 19511 3682 1 12 . 1 1 21 21 GLU CA C 21 56.062 56.062 59.384 -3.322 19511 3683 1 12 . 1 1 21 21 GLU CB C 21 27.576 27.576 29.016 -1.440 19511 3684 1 12 . 1 1 21 21 GLU H H 21 7.491 7.491 8.150 -0.659 19511 3685 1 12 . 1 1 22 22 LEU N N 22 122.316 122.316 120.988 1.328 19511 3686 1 12 . 1 1 22 22 LEU HA H 22 3.534 3.534 3.868 -0.334 19511 3687 1 12 . 1 1 22 22 LEU CA C 22 56.091 56.091 57.750 -1.659 19511 3688 1 12 . 1 1 22 22 LEU CB C 22 35.557 35.557 41.242 -5.685 19511 3689 1 12 . 1 1 22 22 LEU H H 22 8.254 8.254 7.698 0.556 19511 3690 1 12 . 1 1 23 23 GLU N N 23 117.645 117.645 117.886 -0.241 19511 3691 1 12 . 1 1 23 23 GLU HA H 23 4.319 4.319 4.125 0.194 19511 3692 1 12 . 1 1 23 23 GLU CA C 23 56.627 56.627 59.283 -2.656 19511 3693 1 12 . 1 1 23 23 GLU CB C 23 26.800 26.800 29.602 -2.802 19511 3694 1 12 . 1 1 23 23 GLU H H 23 8.084 8.084 8.213 -0.129 19511 3695 1 12 . 1 1 24 24 LYS N N 24 120.989 120.989 120.810 0.179 19511 3696 1 12 . 1 1 24 24 LYS HA H 24 4.088 4.088 4.044 0.044 19511 3697 1 12 . 1 1 24 24 LYS CA C 24 57.392 57.392 59.686 -2.294 19511 3698 1 12 . 1 1 24 24 LYS H H 24 7.884 7.884 8.123 -0.239 19511 3699 1 12 . 1 1 25 25 GLU N N 25 119.686 119.686 119.657 0.029 19511 3700 1 12 . 1 1 25 25 GLU HA H 25 4.325 4.325 4.118 0.207 19511 3701 1 12 . 1 1 25 25 GLU CA C 25 56.529 56.529 59.261 -2.732 19511 3702 1 12 . 1 1 25 25 GLU CB C 25 26.344 26.344 29.451 -3.107 19511 3703 1 12 . 1 1 25 25 GLU H H 25 8.179 8.179 8.077 0.102 19511 3704 1 12 . 1 1 26 26 PHE N N 26 121.229 121.229 117.228 4.001 19511 3705 1 12 . 1 1 26 26 PHE HA H 26 4.769 4.769 4.646 0.123 19511 3706 1 12 . 1 1 26 26 PHE CA C 26 57.746 57.746 60.953 -3.207 19511 3707 1 12 . 1 1 26 26 PHE CB C 26 41.554 41.554 39.339 2.215 19511 3708 1 12 . 1 1 26 26 PHE H H 26 8.896 8.896 7.712 1.184 19511 3709 1 12 . 1 1 27 27 HIS N N 27 115.789 115.789 117.391 -1.602 19511 3710 1 12 . 1 1 27 27 HIS HA H 27 4.069 4.069 4.547 -0.478 19511 3711 1 12 . 1 1 27 27 HIS CA C 27 56.598 56.598 57.830 -1.232 19511 3712 1 12 . 1 1 27 27 HIS CB C 27 27.235 27.235 30.674 -3.439 19511 3713 1 12 . 1 1 27 27 HIS H H 27 8.110 8.110 7.953 0.157 19511 3714 1 12 . 1 1 28 28 CYS N N 28 115.311 115.311 117.477 -2.166 19511 3715 1 12 . 1 1 28 28 CYS HA H 28 4.553 4.553 4.188 0.365 19511 3716 1 12 . 1 1 28 28 CYS CA C 28 54.270 54.270 60.435 -6.165 19511 3717 1 12 . 1 1 28 28 CYS CB C 28 39.551 39.551 28.814 10.737 19511 3718 1 12 . 1 1 28 28 CYS H H 28 7.470 7.470 7.969 -0.499 19511 3719 1 12 . 1 1 29 29 LYS N N 29 122.013 122.013 116.254 5.759 19511 3720 1 12 . 1 1 29 29 LYS HA H 29 4.412 4.412 4.396 0.016 19511 3721 1 12 . 1 1 29 29 LYS CA C 29 53.840 53.840 54.834 -0.994 19511 3722 1 12 . 1 1 29 29 LYS CB C 29 32.448 32.448 33.452 -1.004 19511 3723 1 12 . 1 1 29 29 LYS H H 29 8.648 8.648 7.562 1.086 19511 3724 1 12 . 1 1 30 30 LYS N N 30 117.519 117.519 119.391 -1.872 19511 3725 1 12 . 1 1 30 30 LYS HA H 30 3.837 3.837 4.123 -0.286 19511 3726 1 12 . 1 1 30 30 LYS CA C 30 53.748 53.748 56.203 -2.455 19511 3727 1 12 . 1 1 30 30 LYS CB C 30 30.195 30.195 33.633 -3.438 19511 3728 1 12 . 1 1 30 30 LYS H H 30 7.887 7.887 8.190 -0.303 19511 3729 1 12 . 1 1 31 31 TYR N N 31 112.770 112.770 111.952 0.818 19511 3730 1 12 . 1 1 31 31 TYR HA H 31 4.591 4.591 4.718 -0.127 19511 3731 1 12 . 1 1 31 31 TYR CA C 31 53.415 53.415 54.403 -0.988 19511 3732 1 12 . 1 1 31 31 TYR CB C 31 39.905 39.905 39.586 0.319 19511 3733 1 12 . 1 1 31 31 TYR H H 31 7.368 7.368 6.795 0.573 19511 3734 1 12 . 1 1 32 32 LEU N N 32 120.286 120.286 126.084 -5.798 19511 3735 1 12 . 1 1 32 32 LEU HA H 32 4.766 4.766 4.377 0.389 19511 3736 1 12 . 1 1 32 32 LEU CA C 32 50.290 50.290 54.273 -3.983 19511 3737 1 12 . 1 1 32 32 LEU CB C 32 42.846 42.846 41.561 1.285 19511 3738 1 12 . 1 1 32 32 LEU H H 32 8.442 8.442 8.363 0.080 19511 3739 1 12 . 1 1 33 33 SER N N 33 120.490 120.490 119.768 0.722 19511 3740 1 12 . 1 1 33 33 SER HA H 33 4.045 4.045 4.422 -0.377 19511 3741 1 12 . 1 1 33 33 SER CA C 33 54.957 54.957 57.965 -3.008 19511 3742 1 12 . 1 1 33 33 SER CB C 33 63.875 63.875 64.025 -0.150 19511 3743 1 12 . 1 1 33 33 SER H H 33 9.439 9.439 8.110 1.329 19511 3744 1 12 . 1 1 34 34 LEU N N 34 121.725 121.725 122.942 -1.217 19511 3745 1 12 . 1 1 34 34 LEU HA H 34 4.059 4.059 4.155 -0.096 19511 3746 1 12 . 1 1 34 34 LEU CA C 34 56.683 56.683 58.531 -1.848 19511 3747 1 12 . 1 1 34 34 LEU CB C 34 38.920 38.920 40.935 -2.015 19511 3748 1 12 . 1 1 34 34 LEU H H 34 8.886 8.886 8.628 0.258 19511 3749 1 12 . 1 1 35 35 THR N N 35 113.779 113.779 113.152 0.627 19511 3750 1 12 . 1 1 35 35 THR HA H 35 4.047 4.047 4.145 -0.098 19511 3751 1 12 . 1 1 35 35 THR CA C 35 63.322 63.322 65.343 -2.021 19511 3752 1 12 . 1 1 35 35 THR CB C 35 65.973 65.973 68.606 -2.634 19511 3753 1 12 . 1 1 35 35 THR H H 35 8.142 8.142 8.209 -0.067 19511 3754 1 12 . 1 1 36 36 GLU N N 36 122.728 122.728 120.933 1.795 19511 3755 1 12 . 1 1 36 36 GLU HA H 36 4.036 4.036 4.138 -0.102 19511 3756 1 12 . 1 1 36 36 GLU CA C 36 56.454 56.454 59.440 -2.986 19511 3757 1 12 . 1 1 36 36 GLU CB C 36 27.949 27.949 28.795 -0.846 19511 3758 1 12 . 1 1 36 36 GLU H H 36 7.658 7.658 8.485 -0.827 19511 3759 1 12 . 1 1 37 37 ARG N N 37 118.862 118.862 119.264 -0.402 19511 3760 1 12 . 1 1 37 37 ARG HA H 37 3.842 3.842 4.323 -0.481 19511 3761 1 12 . 1 1 37 37 ARG CA C 37 57.537 57.537 57.856 -0.319 19511 3762 1 12 . 1 1 37 37 ARG CB C 37 28.496 28.496 30.234 -1.738 19511 3763 1 12 . 1 1 37 37 ARG H H 37 8.762 8.762 7.918 0.844 19511 3764 1 12 . 1 1 38 38 SER N N 38 113.126 113.126 113.848 -0.722 19511 3765 1 12 . 1 1 38 38 SER HA H 38 4.039 4.039 4.505 -0.466 19511 3766 1 12 . 1 1 38 38 SER CA C 38 60.349 60.349 60.224 0.125 19511 3767 1 12 . 1 1 38 38 SER CB C 38 65.383 65.383 63.032 2.351 19511 3768 1 12 . 1 1 38 38 SER H H 38 7.989 7.989 7.622 0.367 19511 3769 1 12 . 1 1 39 39 GLN N N 39 121.461 121.461 122.542 -1.081 19511 3770 1 12 . 1 1 39 39 GLN HA H 39 4.176 4.176 4.061 0.115 19511 3771 1 12 . 1 1 39 39 GLN CA C 39 56.766 56.766 59.138 -2.372 19511 3772 1 12 . 1 1 39 39 GLN CB C 39 25.985 25.985 28.668 -2.683 19511 3773 1 12 . 1 1 39 39 GLN H H 39 8.017 8.017 7.344 0.673 19511 3774 1 12 . 1 1 40 40 ILE N N 40 121.303 121.303 119.223 2.080 19511 3775 1 12 . 1 1 40 40 ILE HA H 40 3.943 3.943 3.685 0.258 19511 3776 1 12 . 1 1 40 40 ILE CA C 40 62.170 62.170 64.997 -2.827 19511 3777 1 12 . 1 1 40 40 ILE CB C 40 35.984 35.984 37.620 -1.636 19511 3778 1 12 . 1 1 40 40 ILE H H 40 8.290 8.290 8.328 -0.038 19511 3779 1 12 . 1 1 41 41 ALA N N 41 121.610 121.610 120.570 1.040 19511 3780 1 12 . 1 1 41 41 ALA HA H 41 3.757 3.757 3.995 -0.238 19511 3781 1 12 . 1 1 41 41 ALA CA C 41 53.812 53.812 54.730 -0.917 19511 3782 1 12 . 1 1 41 41 ALA CB C 41 15.288 15.288 18.370 -3.082 19511 3783 1 12 . 1 1 41 41 ALA H H 41 8.201 8.201 8.275 -0.074 19511 3784 1 12 . 1 1 42 42 HIS N N 42 114.498 114.498 115.643 -1.145 19511 3785 1 12 . 1 1 42 42 HIS HA H 42 3.751 3.751 4.542 -0.791 19511 3786 1 12 . 1 1 42 42 HIS CA C 42 53.713 53.713 55.539 -1.826 19511 3787 1 12 . 1 1 42 42 HIS CB C 42 25.282 25.282 31.030 -5.748 19511 3788 1 12 . 1 1 42 42 HIS H H 42 8.136 8.136 7.687 0.449 19511 3789 1 12 . 1 1 43 43 ALA N N 43 121.763 121.763 122.128 -0.365 19511 3790 1 12 . 1 1 43 43 ALA HA H 43 4.118 4.118 4.213 -0.095 19511 3791 1 12 . 1 1 43 43 ALA CA C 43 52.521 52.521 53.946 -1.425 19511 3792 1 12 . 1 1 43 43 ALA CB C 43 16.046 16.046 20.113 -4.067 19511 3793 1 12 . 1 1 43 43 ALA H H 43 8.181 8.181 7.745 0.436 19511 3794 1 12 . 1 1 44 44 LEU N N 44 114.063 114.063 118.340 -4.277 19511 3795 1 12 . 1 1 44 44 LEU HA H 44 4.416 4.416 4.376 0.040 19511 3796 1 12 . 1 1 44 44 LEU CA C 44 51.814 51.814 55.405 -3.591 19511 3797 1 12 . 1 1 44 44 LEU CB C 44 40.181 40.181 43.783 -3.603 19511 3798 1 12 . 1 1 44 44 LEU H H 44 8.016 8.016 7.750 0.266 19511 3799 1 12 . 1 1 45 45 LYS N N 45 116.933 116.933 114.719 2.214 19511 3800 1 12 . 1 1 45 45 LYS HA H 45 4.026 4.026 4.313 -0.287 19511 3801 1 12 . 1 1 45 45 LYS CA C 45 54.887 54.887 56.312 -1.425 19511 3802 1 12 . 1 1 45 45 LYS CB C 45 26.031 26.031 31.745 -5.714 19511 3803 1 12 . 1 1 45 45 LYS H H 45 7.867 7.867 8.039 -0.172 19511 3804 1 12 . 1 1 46 46 LEU N N 46 119.776 119.776 122.795 -3.019 19511 3805 1 12 . 1 1 46 46 LEU HA H 46 4.937 4.937 4.420 0.517 19511 3806 1 12 . 1 1 46 46 LEU CA C 46 49.983 49.983 54.992 -5.009 19511 3807 1 12 . 1 1 46 46 LEU CB C 46 45.389 45.389 42.250 3.139 19511 3808 1 12 . 1 1 46 46 LEU H H 46 8.517 8.517 7.950 0.567 19511 3809 1 12 . 1 1 47 47 SER N N 47 114.945 114.945 115.875 -0.930 19511 3810 1 12 . 1 1 47 47 SER HA H 47 4.856 4.856 4.774 0.082 19511 3811 1 12 . 1 1 47 47 SER CA C 47 54.112 54.112 57.392 -3.280 19511 3812 1 12 . 1 1 47 47 SER CB C 47 62.635 62.635 64.856 -2.221 19511 3813 1 12 . 1 1 47 47 SER H H 47 9.225 9.225 8.431 0.794 19511 3814 1 12 . 1 1 48 48 GLU N N 48 122.216 122.216 126.048 -3.832 19511 3815 1 12 . 1 1 48 48 GLU HA H 48 3.778 3.778 3.995 -0.217 19511 3816 1 12 . 1 1 48 48 GLU CA C 48 58.893 58.893 60.123 -1.230 19511 3817 1 12 . 1 1 48 48 GLU CB C 48 27.002 27.002 29.432 -2.430 19511 3818 1 12 . 1 1 48 48 GLU H H 48 9.278 9.278 9.110 0.168 19511 3819 1 12 . 1 1 49 49 VAL N N 49 118.235 118.235 119.704 -1.469 19511 3820 1 12 . 1 1 49 49 VAL HA H 49 3.854 3.854 3.832 0.022 19511 3821 1 12 . 1 1 49 49 VAL CA C 49 63.808 63.808 65.913 -2.105 19511 3822 1 12 . 1 1 49 49 VAL CB C 49 29.556 29.556 31.352 -1.796 19511 3823 1 12 . 1 1 49 49 VAL H H 49 7.993 7.993 8.100 -0.107 19511 3824 1 12 . 1 1 50 50 GLN N N 50 119.879 119.879 118.061 1.818 19511 3825 1 12 . 1 1 50 50 GLN HA H 50 4.296 4.296 4.118 0.178 19511 3826 1 12 . 1 1 50 50 GLN CA C 50 57.495 57.495 58.151 -0.656 19511 3827 1 12 . 1 1 50 50 GLN CB C 50 27.381 27.381 28.759 -1.378 19511 3828 1 12 . 1 1 50 50 GLN H H 50 7.705 7.705 7.745 -0.040 19511 3829 1 12 . 1 1 51 51 VAL N N 51 117.905 117.905 120.931 -3.026 19511 3830 1 12 . 1 1 51 51 VAL HA H 51 3.818 3.818 3.563 0.255 19511 3831 1 12 . 1 1 51 51 VAL CA C 51 64.839 64.839 66.865 -2.026 19511 3832 1 12 . 1 1 51 51 VAL CB C 51 29.968 29.968 31.428 -1.460 19511 3833 1 12 . 1 1 51 51 VAL H H 51 7.629 7.629 8.070 -0.441 19511 3834 1 12 . 1 1 52 52 LYS N N 52 120.669 120.669 119.459 1.210 19511 3835 1 12 . 1 1 52 52 LYS HA H 52 4.168 4.168 4.390 -0.222 19511 3836 1 12 . 1 1 52 52 LYS CA C 52 57.489 57.489 59.505 -2.017 19511 3837 1 12 . 1 1 52 52 LYS CB C 52 30.473 30.473 32.607 -2.134 19511 3838 1 12 . 1 1 52 52 LYS H H 52 8.802 8.802 7.918 0.884 19511 3839 1 12 . 1 1 53 53 ILE N N 53 120.041 120.041 117.435 2.606 19511 3840 1 12 . 1 1 53 53 ILE HA H 53 3.710 3.710 4.154 -0.444 19511 3841 1 12 . 1 1 53 53 ILE CA C 53 61.549 61.549 62.057 -0.508 19511 3842 1 12 . 1 1 53 53 ILE CB C 53 35.022 35.022 38.942 -3.920 19511 3843 1 12 . 1 1 53 53 ILE H H 53 8.711 8.711 7.660 1.051 19511 3844 1 12 . 1 1 54 54 TRP N N 54 123.292 123.292 125.053 -1.761 19511 3845 1 12 . 1 1 54 54 TRP HA H 54 4.731 4.731 4.189 0.542 19511 3846 1 12 . 1 1 54 54 TRP CA C 54 60.105 60.105 61.921 -1.816 19511 3847 1 12 . 1 1 54 54 TRP CB C 54 26.108 26.108 29.236 -3.128 19511 3848 1 12 . 1 1 54 54 TRP H H 54 8.467 8.467 7.853 0.614 19511 3849 1 12 . 1 1 55 55 PHE N N 55 118.279 118.279 115.681 2.598 19511 3850 1 12 . 1 1 55 55 PHE HA H 55 3.801 3.801 4.220 -0.419 19511 3851 1 12 . 1 1 55 55 PHE CA C 55 61.097 61.097 60.203 0.894 19511 3852 1 12 . 1 1 55 55 PHE CB C 55 36.812 36.812 38.005 -1.193 19511 3853 1 12 . 1 1 55 55 PHE H H 55 8.923 8.923 7.336 1.587 19511 3854 1 12 . 1 1 56 56 GLN N N 56 117.830 117.830 118.573 -0.743 19511 3855 1 12 . 1 1 56 56 GLN HA H 56 4.036 4.036 4.157 -0.121 19511 3856 1 12 . 1 1 56 56 GLN CA C 56 57.329 57.329 58.007 -0.678 19511 3857 1 12 . 1 1 56 56 GLN CB C 56 25.312 25.312 28.736 -3.424 19511 3858 1 12 . 1 1 56 56 GLN H H 56 7.994 7.994 7.865 0.129 19511 3859 1 12 . 1 1 57 57 ASN N N 57 119.840 119.840 118.004 1.836 19511 3860 1 12 . 1 1 57 57 ASN HA H 57 4.632 4.632 4.553 0.079 19511 3861 1 12 . 1 1 57 57 ASN CA C 57 55.637 55.637 55.634 0.003 19511 3862 1 12 . 1 1 57 57 ASN CB C 57 35.824 35.824 38.530 -2.706 19511 3863 1 12 . 1 1 57 57 ASN H H 57 8.715 8.715 7.751 0.964 19511 3864 1 12 . 1 1 58 58 ARG N N 58 125.366 125.366 120.372 4.994 19511 3865 1 12 . 1 1 58 58 ARG HA H 58 3.656 3.656 3.852 -0.196 19511 3866 1 12 . 1 1 58 58 ARG CA C 58 53.865 53.865 58.097 -4.232 19511 3867 1 12 . 1 1 58 58 ARG CB C 58 25.436 25.436 29.797 -4.361 19511 3868 1 12 . 1 1 58 58 ARG H H 58 8.806 8.806 7.315 1.491 19511 3869 1 12 . 1 1 59 59 ARG N N 59 120.172 120.172 117.857 2.315 19511 3870 1 12 . 1 1 59 59 ARG CB C 59 29.582 29.582 30.148 -0.566 19511 3871 1 12 . 1 1 59 59 ARG H H 59 8.345 8.345 7.851 0.494 19511 3872 1 12 . 1 1 60 60 ALA N N 60 122.418 122.418 120.592 1.826 19511 3873 1 12 . 1 1 60 60 ALA HA H 60 4.420 4.420 4.523 -0.103 19511 3874 1 12 . 1 1 60 60 ALA CA C 60 53.005 53.005 52.491 0.514 19511 3875 1 12 . 1 1 60 60 ALA CB C 60 15.567 15.567 19.125 -3.558 19511 3876 1 12 . 1 1 60 60 ALA H H 60 7.587 7.587 7.534 0.053 19511 3877 1 12 . 1 1 61 61 LYS N N 61 119.912 119.912 120.656 -0.744 19511 3878 1 12 . 1 1 61 61 LYS HA H 61 4.003 4.003 3.744 0.259 19511 3879 1 12 . 1 1 61 61 LYS CA C 61 57.164 57.164 59.617 -2.453 19511 3880 1 12 . 1 1 61 61 LYS CB C 61 30.390 30.390 31.655 -1.265 19511 3881 1 12 . 1 1 61 61 LYS H H 61 7.856 7.856 7.528 0.328 19511 3882 1 12 . 1 1 62 62 TRP N N 62 119.782 119.782 115.592 4.190 19511 3883 1 12 . 1 1 62 62 TRP HA H 62 4.535 4.535 4.563 -0.028 19511 3884 1 12 . 1 1 62 62 TRP CA C 62 57.359 57.359 58.752 -1.393 19511 3885 1 12 . 1 1 62 62 TRP CB C 62 27.020 27.020 28.759 -1.738 19511 3886 1 12 . 1 1 62 62 TRP H H 62 8.265 8.265 7.362 0.903 19511 3887 1 12 . 1 1 63 63 LYS N N 63 117.139 117.139 120.033 -2.894 19511 3888 1 12 . 1 1 63 63 LYS HA H 63 3.713 3.713 4.181 -0.468 19511 3889 1 12 . 1 1 63 63 LYS CA C 63 56.518 56.518 58.849 -2.331 19511 3890 1 12 . 1 1 63 63 LYS CB C 63 30.224 30.224 32.520 -2.296 19511 3891 1 12 . 1 1 63 63 LYS H H 63 8.262 8.262 7.570 0.692 19511 3892 1 12 . 1 1 64 64 ARG N N 64 118.868 118.868 118.030 0.838 19511 3893 1 12 . 1 1 64 64 ARG HA H 64 4.192 4.192 4.020 0.172 19511 3894 1 12 . 1 1 64 64 ARG CA C 64 56.249 56.249 58.519 -2.269 19511 3895 1 12 . 1 1 64 64 ARG CB C 64 28.227 28.227 29.885 -1.658 19511 3896 1 12 . 1 1 64 64 ARG H H 64 7.737 7.737 8.039 -0.302 19511 3897 1 12 . 1 1 65 65 ILE N N 65 119.744 119.744 119.163 0.581 19511 3898 1 12 . 1 1 65 65 ILE HA H 65 4.012 4.012 4.015 -0.003 19511 3899 1 12 . 1 1 65 65 ILE CA C 65 60.187 60.187 63.737 -3.550 19511 3900 1 12 . 1 1 65 65 ILE CB C 65 35.588 35.588 38.567 -2.979 19511 3901 1 12 . 1 1 65 65 ILE H H 65 8.010 8.010 7.582 0.428 19511 3902 1 12 . 1 1 66 66 LYS N N 66 122.316 122.316 121.890 0.426 19511 3903 1 12 . 1 1 66 66 LYS HA H 66 4.106 4.106 4.320 -0.214 19511 3904 1 12 . 1 1 66 66 LYS CA C 66 54.657 54.657 55.179 -0.522 19511 3905 1 12 . 1 1 66 66 LYS CB C 66 29.634 29.634 30.776 -1.142 19511 3906 1 12 . 1 1 66 66 LYS H H 66 8.055 8.055 8.019 0.036 19511 3907 1 12 . 1 1 67 67 ALA N N 67 122.520 122.520 122.802 -0.282 19511 3908 1 12 . 1 1 67 67 ALA HA H 67 4.291 4.291 4.468 -0.177 19511 3909 1 12 . 1 1 67 67 ALA CA C 67 50.463 50.463 51.950 -1.487 19511 3910 1 12 . 1 1 67 67 ALA CB C 67 16.535 16.535 21.412 -4.877 19511 3911 1 12 . 1 1 67 67 ALA H H 67 7.846 7.846 7.901 -0.055 19511 3912 1 12 . 1 1 68 68 GLY N N 68 106.371 106.371 109.985 -3.614 19511 3913 1 12 . 1 1 68 68 GLY CA C 68 42.991 42.991 45.133 -2.142 19511 3914 1 12 . 1 1 68 68 GLY H H 68 8.053 8.053 8.516 -0.463 19511 3915 1 12 . 1 1 69 69 ASN N N 69 118.766 118.766 123.043 -4.277 19511 3916 1 12 . 1 1 69 69 ASN HA H 69 4.832 4.832 4.787 0.045 19511 3917 1 12 . 1 1 69 69 ASN CA C 69 50.749 50.749 53.439 -2.690 19511 3918 1 12 . 1 1 69 69 ASN CB C 69 36.737 36.737 40.803 -4.066 19511 3919 1 12 . 1 1 69 69 ASN H H 69 8.166 8.166 8.090 0.076 19511 3920 1 12 . 1 1 70 70 VAL N N 70 119.471 119.471 120.847 -1.376 19511 3921 1 12 . 1 1 70 70 VAL HA H 70 4.265 4.265 4.806 -0.541 19511 3922 1 12 . 1 1 70 70 VAL CA C 70 59.765 59.765 61.519 -1.754 19511 3923 1 12 . 1 1 70 70 VAL CB C 70 30.482 30.482 33.607 -3.125 19511 3924 1 12 . 1 1 70 70 VAL H H 70 8.087 8.087 8.164 -0.077 19511 3925 1 13 . 1 1 3 3 PRO HA H 3 4.499 4.499 4.387 0.112 19511 3926 1 13 . 1 1 3 3 PRO CA C 3 61.077 61.077 62.694 -1.617 19511 3927 1 13 . 1 1 3 3 PRO CB C 3 29.635 29.635 32.499 -2.865 19511 3928 1 13 . 1 1 4 4 GLY N N 4 109.482 109.482 107.072 2.410 19511 3929 1 13 . 1 1 4 4 GLY CA C 4 42.963 42.963 45.386 -2.423 19511 3930 1 13 . 1 1 4 4 GLY H H 4 8.521 8.521 9.075 -0.554 19511 3931 1 13 . 1 1 5 5 GLY N N 5 108.605 108.605 109.738 -1.133 19511 3932 1 13 . 1 1 5 5 GLY CA C 5 42.869 42.869 44.614 -1.745 19511 3933 1 13 . 1 1 5 5 GLY H H 5 8.245 8.245 8.819 -0.574 19511 3934 1 13 . 1 1 6 6 LYS N N 6 120.900 120.900 119.587 1.313 19511 3935 1 13 . 1 1 6 6 LYS HA H 6 4.454 4.454 5.175 -0.721 19511 3936 1 13 . 1 1 6 6 LYS CA C 6 53.594 53.594 55.440 -1.846 19511 3937 1 13 . 1 1 6 6 LYS CB C 6 31.034 31.034 35.392 -4.358 19511 3938 1 13 . 1 1 6 6 LYS H H 6 8.201 8.201 8.849 -0.648 19511 3939 1 13 . 1 1 7 7 SER N N 7 118.055 118.055 115.672 2.383 19511 3940 1 13 . 1 1 7 7 SER HA H 7 4.533 4.533 4.797 -0.264 19511 3941 1 13 . 1 1 7 7 SER CA C 7 55.637 55.637 57.821 -2.184 19511 3942 1 13 . 1 1 7 7 SER CB C 7 61.343 61.343 64.456 -3.113 19511 3943 1 13 . 1 1 7 7 SER H H 7 8.425 8.425 8.410 0.015 19511 3944 1 13 . 1 1 8 8 ARG HA H 8 4.547 4.547 4.671 -0.124 19511 3945 1 13 . 1 1 8 8 ARG CA C 8 53.146 53.146 55.701 -2.555 19511 3946 1 13 . 1 1 8 8 ARG CB C 8 29.317 29.317 31.741 -2.424 19511 3947 1 13 . 1 1 9 9 ARG N N 9 124.954 124.954 122.220 2.734 19511 3948 1 13 . 1 1 9 9 ARG HA H 9 4.321 4.321 4.476 -0.155 19511 3949 1 13 . 1 1 9 9 ARG CA C 9 54.049 54.049 55.058 -1.009 19511 3950 1 13 . 1 1 9 9 ARG CB C 9 28.705 28.705 33.016 -4.311 19511 3951 1 13 . 1 1 9 9 ARG H H 9 9.037 9.037 8.348 0.689 19511 3952 1 13 . 1 1 10 10 ARG N N 10 122.493 122.493 123.021 -0.528 19511 3953 1 13 . 1 1 10 10 ARG HA H 10 4.322 4.322 4.201 0.121 19511 3954 1 13 . 1 1 10 10 ARG CA C 10 53.971 53.971 56.153 -2.182 19511 3955 1 13 . 1 1 10 10 ARG CB C 10 28.386 28.386 28.802 -0.416 19511 3956 1 13 . 1 1 10 10 ARG H H 10 8.350 8.350 8.896 -0.546 19511 3957 1 13 . 1 1 11 11 ARG N N 11 123.361 123.361 120.111 3.250 19511 3958 1 13 . 1 1 11 11 ARG HA H 11 4.312 4.312 4.472 -0.160 19511 3959 1 13 . 1 1 11 11 ARG CA C 11 53.146 53.146 55.263 -2.117 19511 3960 1 13 . 1 1 11 11 ARG CB C 11 30.162 30.162 30.524 -0.362 19511 3961 1 13 . 1 1 11 11 ARG H H 11 8.508 8.508 7.662 0.846 19511 3962 1 13 . 1 1 12 12 THR N N 12 126.287 126.287 116.674 9.613 19511 3963 1 13 . 1 1 12 12 THR HA H 12 3.790 3.790 4.058 -0.268 19511 3964 1 13 . 1 1 12 12 THR CA C 12 62.948 62.948 62.997 -0.049 19511 3965 1 13 . 1 1 12 12 THR CB C 12 66.854 66.854 69.044 -2.190 19511 3966 1 13 . 1 1 12 12 THR H H 12 8.068 8.068 7.696 0.372 19511 3967 1 13 . 1 1 13 13 ALA N N 13 129.745 129.745 130.566 -0.821 19511 3968 1 13 . 1 1 13 13 ALA HA H 13 4.664 4.664 4.486 0.178 19511 3969 1 13 . 1 1 13 13 ALA CA C 13 47.602 47.602 51.417 -3.815 19511 3970 1 13 . 1 1 13 13 ALA CB C 13 16.412 16.412 20.044 -3.632 19511 3971 1 13 . 1 1 13 13 ALA H H 13 8.317 8.317 7.692 0.625 19511 3972 1 13 . 1 1 14 14 PHE N N 14 124.589 124.589 119.560 5.029 19511 3973 1 13 . 1 1 14 14 PHE HA H 14 4.708 4.708 5.150 -0.442 19511 3974 1 13 . 1 1 14 14 PHE CA C 14 56.288 56.288 54.631 1.657 19511 3975 1 13 . 1 1 14 14 PHE CB C 14 38.229 38.229 41.214 -2.985 19511 3976 1 13 . 1 1 14 14 PHE H H 14 8.594 8.594 8.011 0.583 19511 3977 1 13 . 1 1 15 15 THR N N 15 113.746 113.746 112.610 1.136 19511 3978 1 13 . 1 1 15 15 THR HA H 15 4.575 4.575 4.779 -0.204 19511 3979 1 13 . 1 1 15 15 THR CA C 15 58.027 58.027 59.916 -1.889 19511 3980 1 13 . 1 1 15 15 THR CB C 15 68.256 68.256 71.608 -3.352 19511 3981 1 13 . 1 1 15 15 THR H H 15 9.053 9.053 8.797 0.256 19511 3982 1 13 . 1 1 16 16 SER N N 16 116.624 116.624 117.575 -0.951 19511 3983 1 13 . 1 1 16 16 SER HA H 16 4.713 4.713 4.092 0.621 19511 3984 1 13 . 1 1 16 16 SER CA C 16 59.750 59.750 62.042 -2.292 19511 3985 1 13 . 1 1 16 16 SER CB C 16 59.639 59.639 63.118 -3.479 19511 3986 1 13 . 1 1 16 16 SER H H 16 9.092 9.092 8.759 0.333 19511 3987 1 13 . 1 1 17 17 GLU N N 17 120.287 120.287 118.611 1.676 19511 3988 1 13 . 1 1 17 17 GLU HA H 17 4.081 4.081 4.076 0.005 19511 3989 1 13 . 1 1 17 17 GLU CA C 17 57.565 57.565 58.914 -1.349 19511 3990 1 13 . 1 1 17 17 GLU CB C 17 26.998 26.998 29.265 -2.267 19511 3991 1 13 . 1 1 17 17 GLU H H 17 8.560 8.560 8.715 -0.155 19511 3992 1 13 . 1 1 18 18 GLN N N 18 118.169 118.169 115.208 2.961 19511 3993 1 13 . 1 1 18 18 GLN HA H 18 3.898 3.898 4.218 -0.320 19511 3994 1 13 . 1 1 18 18 GLN CA C 18 56.609 56.609 56.589 0.020 19511 3995 1 13 . 1 1 18 18 GLN CB C 18 32.647 32.647 29.461 3.186 19511 3996 1 13 . 1 1 18 18 GLN H H 18 7.769 7.769 7.625 0.144 19511 3997 1 13 . 1 1 19 19 LEU N N 19 116.929 116.929 119.619 -2.690 19511 3998 1 13 . 1 1 19 19 LEU HA H 19 3.655 3.655 4.208 -0.553 19511 3999 1 13 . 1 1 19 19 LEU CA C 19 55.390 55.390 55.137 0.253 19511 4000 1 13 . 1 1 19 19 LEU CB C 19 39.414 39.414 42.454 -3.040 19511 4001 1 13 . 1 1 19 19 LEU H H 19 8.227 8.227 7.727 0.500 19511 4002 1 13 . 1 1 20 20 LEU N N 20 118.864 118.864 121.549 -2.685 19511 4003 1 13 . 1 1 20 20 LEU HA H 20 4.034 4.034 3.809 0.225 19511 4004 1 13 . 1 1 20 20 LEU CA C 20 55.765 55.765 59.902 -4.137 19511 4005 1 13 . 1 1 20 20 LEU CB C 20 39.758 39.758 41.422 -1.664 19511 4006 1 13 . 1 1 20 20 LEU H H 20 8.037 8.037 7.628 0.409 19511 4007 1 13 . 1 1 21 21 GLU N N 21 118.147 118.147 116.909 1.238 19511 4008 1 13 . 1 1 21 21 GLU HA H 21 4.159 4.159 3.981 0.178 19511 4009 1 13 . 1 1 21 21 GLU CA C 21 56.062 56.062 59.560 -3.498 19511 4010 1 13 . 1 1 21 21 GLU CB C 21 27.576 27.576 29.058 -1.482 19511 4011 1 13 . 1 1 21 21 GLU H H 21 7.491 7.491 8.446 -0.955 19511 4012 1 13 . 1 1 22 22 LEU N N 22 122.316 122.316 120.600 1.716 19511 4013 1 13 . 1 1 22 22 LEU HA H 22 3.534 3.534 3.842 -0.308 19511 4014 1 13 . 1 1 22 22 LEU CA C 22 56.091 56.091 57.839 -1.748 19511 4015 1 13 . 1 1 22 22 LEU CB C 22 35.557 35.557 41.484 -5.927 19511 4016 1 13 . 1 1 22 22 LEU H H 22 8.254 8.254 8.045 0.209 19511 4017 1 13 . 1 1 23 23 GLU N N 23 117.645 117.645 117.014 0.631 19511 4018 1 13 . 1 1 23 23 GLU HA H 23 4.319 4.319 4.328 -0.009 19511 4019 1 13 . 1 1 23 23 GLU CA C 23 56.627 56.627 59.283 -2.656 19511 4020 1 13 . 1 1 23 23 GLU CB C 23 26.800 26.800 29.799 -2.999 19511 4021 1 13 . 1 1 23 23 GLU H H 23 8.084 8.084 8.256 -0.172 19511 4022 1 13 . 1 1 24 24 LYS N N 24 120.989 120.989 121.432 -0.443 19511 4023 1 13 . 1 1 24 24 LYS HA H 24 4.088 4.088 4.096 -0.008 19511 4024 1 13 . 1 1 24 24 LYS CA C 24 57.392 57.392 59.660 -2.268 19511 4025 1 13 . 1 1 24 24 LYS H H 24 7.884 7.884 8.132 -0.248 19511 4026 1 13 . 1 1 25 25 GLU N N 25 119.686 119.686 118.738 0.948 19511 4027 1 13 . 1 1 25 25 GLU HA H 25 4.325 4.325 4.182 0.143 19511 4028 1 13 . 1 1 25 25 GLU CA C 25 56.529 56.529 58.547 -2.018 19511 4029 1 13 . 1 1 25 25 GLU CB C 25 26.344 26.344 29.233 -2.889 19511 4030 1 13 . 1 1 25 25 GLU H H 25 8.179 8.179 8.408 -0.229 19511 4031 1 13 . 1 1 26 26 PHE N N 26 121.229 121.229 120.311 0.918 19511 4032 1 13 . 1 1 26 26 PHE HA H 26 4.769 4.769 4.710 0.059 19511 4033 1 13 . 1 1 26 26 PHE CA C 26 57.746 57.746 60.180 -2.434 19511 4034 1 13 . 1 1 26 26 PHE CB C 26 41.554 41.554 39.766 1.788 19511 4035 1 13 . 1 1 26 26 PHE H H 26 8.896 8.896 7.988 0.908 19511 4036 1 13 . 1 1 27 27 HIS N N 27 115.789 115.789 119.280 -3.491 19511 4037 1 13 . 1 1 27 27 HIS HA H 27 4.069 4.069 4.566 -0.497 19511 4038 1 13 . 1 1 27 27 HIS CA C 27 56.598 56.598 59.491 -2.893 19511 4039 1 13 . 1 1 27 27 HIS CB C 27 27.235 27.235 30.564 -3.329 19511 4040 1 13 . 1 1 27 27 HIS H H 27 8.110 8.110 8.237 -0.127 19511 4041 1 13 . 1 1 28 28 CYS N N 28 115.311 115.311 115.882 -0.571 19511 4042 1 13 . 1 1 28 28 CYS HA H 28 4.553 4.553 4.469 0.084 19511 4043 1 13 . 1 1 28 28 CYS CA C 28 54.270 54.270 59.882 -5.612 19511 4044 1 13 . 1 1 28 28 CYS CB C 28 39.551 39.551 28.959 10.592 19511 4045 1 13 . 1 1 28 28 CYS H H 28 7.470 7.470 8.350 -0.880 19511 4046 1 13 . 1 1 29 29 LYS N N 29 122.013 122.013 119.724 2.289 19511 4047 1 13 . 1 1 29 29 LYS HA H 29 4.412 4.412 4.136 0.276 19511 4048 1 13 . 1 1 29 29 LYS CA C 29 53.840 53.840 54.737 -0.897 19511 4049 1 13 . 1 1 29 29 LYS CB C 29 32.448 32.448 32.816 -0.368 19511 4050 1 13 . 1 1 29 29 LYS H H 29 8.648 8.648 7.278 1.370 19511 4051 1 13 . 1 1 30 30 LYS N N 30 117.519 117.519 124.194 -6.675 19511 4052 1 13 . 1 1 30 30 LYS HA H 30 3.837 3.837 3.876 -0.039 19511 4053 1 13 . 1 1 30 30 LYS CA C 30 53.748 53.748 56.693 -2.945 19511 4054 1 13 . 1 1 30 30 LYS CB C 30 30.195 30.195 32.126 -1.931 19511 4055 1 13 . 1 1 30 30 LYS H H 30 7.887 7.887 8.575 -0.688 19511 4056 1 13 . 1 1 31 31 TYR N N 31 112.770 112.770 112.793 -0.023 19511 4057 1 13 . 1 1 31 31 TYR HA H 31 4.591 4.591 4.660 -0.069 19511 4058 1 13 . 1 1 31 31 TYR CA C 31 53.415 53.415 54.908 -1.493 19511 4059 1 13 . 1 1 31 31 TYR CB C 31 39.905 39.905 39.860 0.045 19511 4060 1 13 . 1 1 31 31 TYR H H 31 7.368 7.368 6.585 0.783 19511 4061 1 13 . 1 1 32 32 LEU N N 32 120.286 120.286 124.585 -4.299 19511 4062 1 13 . 1 1 32 32 LEU HA H 32 4.766 4.766 4.552 0.214 19511 4063 1 13 . 1 1 32 32 LEU CA C 32 50.290 50.290 53.714 -3.424 19511 4064 1 13 . 1 1 32 32 LEU CB C 32 42.846 42.846 42.957 -0.111 19511 4065 1 13 . 1 1 32 32 LEU H H 32 8.442 8.442 8.377 0.065 19511 4066 1 13 . 1 1 33 33 SER N N 33 120.490 120.490 121.670 -1.180 19511 4067 1 13 . 1 1 33 33 SER HA H 33 4.045 4.045 4.424 -0.379 19511 4068 1 13 . 1 1 33 33 SER CA C 33 54.957 54.957 58.696 -3.739 19511 4069 1 13 . 1 1 33 33 SER CB C 33 63.875 63.875 63.003 0.872 19511 4070 1 13 . 1 1 33 33 SER H H 33 9.439 9.439 8.868 0.571 19511 4071 1 13 . 1 1 34 34 LEU N N 34 121.725 121.725 126.637 -4.912 19511 4072 1 13 . 1 1 34 34 LEU HA H 34 4.059 4.059 3.925 0.134 19511 4073 1 13 . 1 1 34 34 LEU CA C 34 56.683 56.683 58.439 -1.756 19511 4074 1 13 . 1 1 34 34 LEU CB C 34 38.920 38.920 40.161 -1.241 19511 4075 1 13 . 1 1 34 34 LEU H H 34 8.886 8.886 8.581 0.305 19511 4076 1 13 . 1 1 35 35 THR N N 35 113.779 113.779 116.293 -2.514 19511 4077 1 13 . 1 1 35 35 THR HA H 35 4.047 4.047 4.030 0.017 19511 4078 1 13 . 1 1 35 35 THR CA C 35 63.322 63.322 65.827 -2.505 19511 4079 1 13 . 1 1 35 35 THR CB C 35 65.973 65.973 68.604 -2.631 19511 4080 1 13 . 1 1 35 35 THR H H 35 8.142 8.142 8.195 -0.053 19511 4081 1 13 . 1 1 36 36 GLU N N 36 122.728 122.728 119.248 3.480 19511 4082 1 13 . 1 1 36 36 GLU HA H 36 4.036 4.036 4.144 -0.108 19511 4083 1 13 . 1 1 36 36 GLU CA C 36 56.454 56.454 57.979 -1.525 19511 4084 1 13 . 1 1 36 36 GLU CB C 36 27.949 27.949 28.847 -0.898 19511 4085 1 13 . 1 1 36 36 GLU H H 36 7.658 7.658 8.250 -0.592 19511 4086 1 13 . 1 1 37 37 ARG N N 37 118.862 118.862 118.333 0.529 19511 4087 1 13 . 1 1 37 37 ARG HA H 37 3.842 3.842 4.474 -0.632 19511 4088 1 13 . 1 1 37 37 ARG CA C 37 57.537 57.537 56.932 0.605 19511 4089 1 13 . 1 1 37 37 ARG CB C 37 28.496 28.496 30.827 -2.331 19511 4090 1 13 . 1 1 37 37 ARG H H 37 8.762 8.762 7.878 0.884 19511 4091 1 13 . 1 1 38 38 SER N N 38 113.126 113.126 114.574 -1.448 19511 4092 1 13 . 1 1 38 38 SER HA H 38 4.039 4.039 4.526 -0.487 19511 4093 1 13 . 1 1 38 38 SER CA C 38 60.349 60.349 60.386 -0.037 19511 4094 1 13 . 1 1 38 38 SER CB C 38 65.383 65.383 64.188 1.195 19511 4095 1 13 . 1 1 38 38 SER H H 38 7.989 7.989 8.018 -0.029 19511 4096 1 13 . 1 1 39 39 GLN N N 39 121.461 121.461 121.399 0.062 19511 4097 1 13 . 1 1 39 39 GLN HA H 39 4.176 4.176 4.122 0.054 19511 4098 1 13 . 1 1 39 39 GLN CA C 39 56.766 56.766 59.044 -2.278 19511 4099 1 13 . 1 1 39 39 GLN CB C 39 25.985 25.985 28.752 -2.767 19511 4100 1 13 . 1 1 39 39 GLN H H 39 8.017 8.017 7.559 0.458 19511 4101 1 13 . 1 1 40 40 ILE N N 40 121.303 121.303 119.644 1.659 19511 4102 1 13 . 1 1 40 40 ILE HA H 40 3.943 3.943 3.647 0.296 19511 4103 1 13 . 1 1 40 40 ILE CA C 40 62.170 62.170 64.610 -2.440 19511 4104 1 13 . 1 1 40 40 ILE CB C 40 35.984 35.984 37.435 -1.451 19511 4105 1 13 . 1 1 40 40 ILE H H 40 8.290 8.290 8.471 -0.181 19511 4106 1 13 . 1 1 41 41 ALA N N 41 121.610 121.610 119.313 2.297 19511 4107 1 13 . 1 1 41 41 ALA HA H 41 3.757 3.757 4.038 -0.281 19511 4108 1 13 . 1 1 41 41 ALA CA C 41 53.812 53.812 54.104 -0.292 19511 4109 1 13 . 1 1 41 41 ALA CB C 41 15.288 15.288 18.365 -3.077 19511 4110 1 13 . 1 1 41 41 ALA H H 41 8.201 8.201 8.232 -0.031 19511 4111 1 13 . 1 1 42 42 HIS N N 42 114.498 114.498 113.851 0.647 19511 4112 1 13 . 1 1 42 42 HIS HA H 42 3.751 3.751 4.748 -0.997 19511 4113 1 13 . 1 1 42 42 HIS CA C 42 53.713 53.713 56.089 -2.376 19511 4114 1 13 . 1 1 42 42 HIS CB C 42 25.282 25.282 31.313 -6.031 19511 4115 1 13 . 1 1 42 42 HIS H H 42 8.136 8.136 8.086 0.050 19511 4116 1 13 . 1 1 43 43 ALA N N 43 121.763 121.763 122.190 -0.427 19511 4117 1 13 . 1 1 43 43 ALA HA H 43 4.118 4.118 4.556 -0.438 19511 4118 1 13 . 1 1 43 43 ALA CA C 43 52.521 52.521 53.480 -0.959 19511 4119 1 13 . 1 1 43 43 ALA CB C 43 16.046 16.046 20.092 -4.046 19511 4120 1 13 . 1 1 43 43 ALA H H 43 8.181 8.181 7.900 0.281 19511 4121 1 13 . 1 1 44 44 LEU N N 44 114.063 114.063 119.250 -5.187 19511 4122 1 13 . 1 1 44 44 LEU HA H 44 4.416 4.416 4.194 0.222 19511 4123 1 13 . 1 1 44 44 LEU CA C 44 51.814 51.814 56.392 -4.578 19511 4124 1 13 . 1 1 44 44 LEU CB C 44 40.181 40.181 43.017 -2.836 19511 4125 1 13 . 1 1 44 44 LEU H H 44 8.016 8.016 7.654 0.362 19511 4126 1 13 . 1 1 45 45 LYS N N 45 116.933 116.933 114.497 2.436 19511 4127 1 13 . 1 1 45 45 LYS HA H 45 4.026 4.026 4.405 -0.379 19511 4128 1 13 . 1 1 45 45 LYS CA C 45 54.887 54.887 55.995 -1.108 19511 4129 1 13 . 1 1 45 45 LYS CB C 45 26.031 26.031 33.134 -7.103 19511 4130 1 13 . 1 1 45 45 LYS H H 45 7.867 7.867 8.155 -0.288 19511 4131 1 13 . 1 1 46 46 LEU N N 46 119.776 119.776 119.439 0.337 19511 4132 1 13 . 1 1 46 46 LEU HA H 46 4.937 4.937 4.556 0.381 19511 4133 1 13 . 1 1 46 46 LEU CA C 46 49.983 49.983 53.834 -3.852 19511 4134 1 13 . 1 1 46 46 LEU CB C 46 45.389 45.389 44.255 1.134 19511 4135 1 13 . 1 1 46 46 LEU H H 46 8.517 8.517 7.577 0.940 19511 4136 1 13 . 1 1 47 47 SER N N 47 114.945 114.945 112.310 2.635 19511 4137 1 13 . 1 1 47 47 SER HA H 47 4.856 4.856 4.778 0.078 19511 4138 1 13 . 1 1 47 47 SER CA C 47 54.112 54.112 56.840 -2.728 19511 4139 1 13 . 1 1 47 47 SER CB C 47 62.635 62.635 65.425 -2.790 19511 4140 1 13 . 1 1 47 47 SER H H 47 9.225 9.225 8.091 1.134 19511 4141 1 13 . 1 1 48 48 GLU N N 48 122.216 122.216 124.869 -2.653 19511 4142 1 13 . 1 1 48 48 GLU HA H 48 3.778 3.778 3.994 -0.216 19511 4143 1 13 . 1 1 48 48 GLU CA C 48 58.893 58.893 60.478 -1.585 19511 4144 1 13 . 1 1 48 48 GLU CB C 48 27.002 27.002 29.674 -2.672 19511 4145 1 13 . 1 1 48 48 GLU H H 48 9.278 9.278 9.115 0.163 19511 4146 1 13 . 1 1 49 49 VAL N N 49 118.235 118.235 118.922 -0.687 19511 4147 1 13 . 1 1 49 49 VAL HA H 49 3.854 3.854 3.847 0.007 19511 4148 1 13 . 1 1 49 49 VAL CA C 49 63.808 63.808 65.283 -1.475 19511 4149 1 13 . 1 1 49 49 VAL CB C 49 29.556 29.556 31.609 -2.053 19511 4150 1 13 . 1 1 49 49 VAL H H 49 7.993 7.993 8.068 -0.075 19511 4151 1 13 . 1 1 50 50 GLN N N 50 119.879 119.879 117.079 2.800 19511 4152 1 13 . 1 1 50 50 GLN HA H 50 4.296 4.296 4.273 0.023 19511 4153 1 13 . 1 1 50 50 GLN CA C 50 57.495 57.495 57.645 -0.150 19511 4154 1 13 . 1 1 50 50 GLN CB C 50 27.381 27.381 29.377 -1.996 19511 4155 1 13 . 1 1 50 50 GLN H H 50 7.705 7.705 7.765 -0.060 19511 4156 1 13 . 1 1 51 51 VAL N N 51 117.905 117.905 121.445 -3.540 19511 4157 1 13 . 1 1 51 51 VAL HA H 51 3.818 3.818 3.794 0.024 19511 4158 1 13 . 1 1 51 51 VAL CA C 51 64.839 64.839 66.766 -1.927 19511 4159 1 13 . 1 1 51 51 VAL CB C 51 29.968 29.968 31.561 -1.593 19511 4160 1 13 . 1 1 51 51 VAL H H 51 7.629 7.629 8.501 -0.872 19511 4161 1 13 . 1 1 52 52 LYS N N 52 120.669 120.669 120.928 -0.259 19511 4162 1 13 . 1 1 52 52 LYS HA H 52 4.168 4.168 4.534 -0.366 19511 4163 1 13 . 1 1 52 52 LYS CA C 52 57.489 57.489 59.701 -2.212 19511 4164 1 13 . 1 1 52 52 LYS CB C 52 30.473 30.473 32.215 -1.742 19511 4165 1 13 . 1 1 52 52 LYS H H 52 8.802 8.802 8.461 0.341 19511 4166 1 13 . 1 1 53 53 ILE N N 53 120.041 120.041 119.124 0.917 19511 4167 1 13 . 1 1 53 53 ILE HA H 53 3.710 3.710 4.007 -0.297 19511 4168 1 13 . 1 1 53 53 ILE CA C 53 61.549 61.549 63.853 -2.304 19511 4169 1 13 . 1 1 53 53 ILE CB C 53 35.022 35.022 37.824 -2.802 19511 4170 1 13 . 1 1 53 53 ILE H H 53 8.711 8.711 7.748 0.963 19511 4171 1 13 . 1 1 54 54 TRP N N 54 123.292 123.292 122.269 1.023 19511 4172 1 13 . 1 1 54 54 TRP HA H 54 4.731 4.731 4.056 0.675 19511 4173 1 13 . 1 1 54 54 TRP CA C 54 60.105 60.105 62.019 -1.914 19511 4174 1 13 . 1 1 54 54 TRP CB C 54 26.108 26.108 29.243 -3.135 19511 4175 1 13 . 1 1 54 54 TRP H H 54 8.467 8.467 8.085 0.382 19511 4176 1 13 . 1 1 55 55 PHE N N 55 118.279 118.279 116.038 2.241 19511 4177 1 13 . 1 1 55 55 PHE HA H 55 3.801 3.801 4.077 -0.276 19511 4178 1 13 . 1 1 55 55 PHE CA C 55 61.097 61.097 60.921 0.176 19511 4179 1 13 . 1 1 55 55 PHE CB C 55 36.812 36.812 38.233 -1.421 19511 4180 1 13 . 1 1 55 55 PHE H H 55 8.923 8.923 7.112 1.811 19511 4181 1 13 . 1 1 56 56 GLN N N 56 117.830 117.830 115.998 1.832 19511 4182 1 13 . 1 1 56 56 GLN HA H 56 4.036 4.036 4.020 0.016 19511 4183 1 13 . 1 1 56 56 GLN CA C 56 57.329 57.329 58.232 -0.903 19511 4184 1 13 . 1 1 56 56 GLN CB C 56 25.312 25.312 28.642 -3.330 19511 4185 1 13 . 1 1 56 56 GLN H H 56 7.994 7.994 8.129 -0.135 19511 4186 1 13 . 1 1 57 57 ASN N N 57 119.840 119.840 115.400 4.440 19511 4187 1 13 . 1 1 57 57 ASN HA H 57 4.632 4.632 4.674 -0.042 19511 4188 1 13 . 1 1 57 57 ASN CA C 57 55.637 55.637 53.225 2.412 19511 4189 1 13 . 1 1 57 57 ASN CB C 57 35.824 35.824 39.762 -3.938 19511 4190 1 13 . 1 1 57 57 ASN H H 57 8.715 8.715 7.592 1.123 19511 4191 1 13 . 1 1 58 58 ARG N N 58 125.366 125.366 123.197 2.169 19511 4192 1 13 . 1 1 58 58 ARG HA H 58 3.656 3.656 3.691 -0.035 19511 4193 1 13 . 1 1 58 58 ARG CA C 58 53.865 53.865 56.600 -2.735 19511 4194 1 13 . 1 1 58 58 ARG CB C 58 25.436 25.436 28.393 -2.957 19511 4195 1 13 . 1 1 58 58 ARG H H 58 8.806 8.806 7.557 1.249 19511 4196 1 13 . 1 1 59 59 ARG N N 59 120.172 120.172 119.145 1.027 19511 4197 1 13 . 1 1 59 59 ARG CB C 59 29.582 29.582 27.494 2.087 19511 4198 1 13 . 1 1 59 59 ARG H H 59 8.345 8.345 8.550 -0.205 19511 4199 1 13 . 1 1 60 60 ALA N N 60 122.418 122.418 118.370 4.048 19511 4200 1 13 . 1 1 60 60 ALA HA H 60 4.420 4.420 4.504 -0.084 19511 4201 1 13 . 1 1 60 60 ALA CA C 60 53.005 53.005 51.936 1.069 19511 4202 1 13 . 1 1 60 60 ALA CB C 60 15.567 15.567 19.639 -4.072 19511 4203 1 13 . 1 1 60 60 ALA H H 60 7.587 7.587 7.962 -0.375 19511 4204 1 13 . 1 1 61 61 LYS N N 61 119.912 119.912 120.486 -0.574 19511 4205 1 13 . 1 1 61 61 LYS HA H 61 4.003 4.003 4.044 -0.041 19511 4206 1 13 . 1 1 61 61 LYS CA C 61 57.164 57.164 59.704 -2.540 19511 4207 1 13 . 1 1 61 61 LYS CB C 61 30.390 30.390 31.883 -1.493 19511 4208 1 13 . 1 1 61 61 LYS H H 61 7.856 7.856 7.323 0.533 19511 4209 1 13 . 1 1 62 62 TRP N N 62 119.782 119.782 118.454 1.328 19511 4210 1 13 . 1 1 62 62 TRP HA H 62 4.535 4.535 4.547 -0.012 19511 4211 1 13 . 1 1 62 62 TRP CA C 62 57.359 57.359 60.050 -2.691 19511 4212 1 13 . 1 1 62 62 TRP CB C 62 27.020 27.020 28.534 -1.514 19511 4213 1 13 . 1 1 62 62 TRP H H 62 8.265 8.265 7.976 0.289 19511 4214 1 13 . 1 1 63 63 LYS N N 63 117.139 117.139 119.654 -2.515 19511 4215 1 13 . 1 1 63 63 LYS HA H 63 3.713 3.713 4.028 -0.315 19511 4216 1 13 . 1 1 63 63 LYS CA C 63 56.518 56.518 59.146 -2.628 19511 4217 1 13 . 1 1 63 63 LYS CB C 63 30.224 30.224 31.950 -1.726 19511 4218 1 13 . 1 1 63 63 LYS H H 63 8.262 8.262 8.216 0.046 19511 4219 1 13 . 1 1 64 64 ARG N N 64 118.868 118.868 117.776 1.092 19511 4220 1 13 . 1 1 64 64 ARG HA H 64 4.192 4.192 4.089 0.103 19511 4221 1 13 . 1 1 64 64 ARG CA C 64 56.249 56.249 58.585 -2.336 19511 4222 1 13 . 1 1 64 64 ARG CB C 64 28.227 28.227 30.220 -1.992 19511 4223 1 13 . 1 1 64 64 ARG H H 64 7.737 7.737 8.195 -0.458 19511 4224 1 13 . 1 1 65 65 ILE N N 65 119.744 119.744 120.081 -0.337 19511 4225 1 13 . 1 1 65 65 ILE HA H 65 4.012 4.012 3.873 0.139 19511 4226 1 13 . 1 1 65 65 ILE CA C 65 60.187 60.187 64.323 -4.136 19511 4227 1 13 . 1 1 65 65 ILE CB C 65 35.588 35.588 37.895 -2.307 19511 4228 1 13 . 1 1 65 65 ILE H H 65 8.010 8.010 7.894 0.116 19511 4229 1 13 . 1 1 66 66 LYS N N 66 122.316 122.316 119.818 2.498 19511 4230 1 13 . 1 1 66 66 LYS HA H 66 4.106 4.106 4.211 -0.105 19511 4231 1 13 . 1 1 66 66 LYS CA C 66 54.657 54.657 55.405 -0.748 19511 4232 1 13 . 1 1 66 66 LYS CB C 66 29.634 29.634 30.897 -1.263 19511 4233 1 13 . 1 1 66 66 LYS H H 66 8.055 8.055 8.120 -0.065 19511 4234 1 13 . 1 1 67 67 ALA N N 67 122.520 122.520 122.937 -0.417 19511 4235 1 13 . 1 1 67 67 ALA HA H 67 4.291 4.291 4.331 -0.040 19511 4236 1 13 . 1 1 67 67 ALA CA C 67 50.463 50.463 51.881 -1.418 19511 4237 1 13 . 1 1 67 67 ALA CB C 67 16.535 16.535 17.715 -1.180 19511 4238 1 13 . 1 1 67 67 ALA H H 67 7.846 7.846 7.633 0.213 19511 4239 1 13 . 1 1 68 68 GLY N N 68 106.371 106.371 113.858 -7.487 19511 4240 1 13 . 1 1 68 68 GLY CA C 68 42.991 42.991 45.545 -2.554 19511 4241 1 13 . 1 1 68 68 GLY H H 68 8.053 8.053 8.193 -0.140 19511 4242 1 13 . 1 1 69 69 ASN N N 69 118.766 118.766 120.190 -1.424 19511 4243 1 13 . 1 1 69 69 ASN HA H 69 4.832 4.832 4.835 -0.003 19511 4244 1 13 . 1 1 69 69 ASN CA C 69 50.749 50.749 52.941 -2.192 19511 4245 1 13 . 1 1 69 69 ASN CB C 69 36.737 36.737 38.059 -1.322 19511 4246 1 13 . 1 1 69 69 ASN H H 69 8.166 8.166 8.439 -0.273 19511 4247 1 13 . 1 1 70 70 VAL N N 70 119.471 119.471 122.659 -3.188 19511 4248 1 13 . 1 1 70 70 VAL HA H 70 4.265 4.265 4.388 -0.123 19511 4249 1 13 . 1 1 70 70 VAL CA C 70 59.765 59.765 61.742 -1.976 19511 4250 1 13 . 1 1 70 70 VAL CB C 70 30.482 30.482 33.787 -3.305 19511 4251 1 13 . 1 1 70 70 VAL H H 70 8.087 8.087 8.096 -0.009 19511 4252 1 14 . 1 1 3 3 PRO HA H 3 4.499 4.499 4.646 -0.147 19511 4253 1 14 . 1 1 3 3 PRO CA C 3 61.077 61.077 62.536 -1.459 19511 4254 1 14 . 1 1 3 3 PRO CB C 3 29.635 29.635 32.416 -2.781 19511 4255 1 14 . 1 1 4 4 GLY N N 4 109.482 109.482 106.418 3.064 19511 4256 1 14 . 1 1 4 4 GLY CA C 4 42.963 42.963 44.596 -1.633 19511 4257 1 14 . 1 1 4 4 GLY H H 4 8.521 8.521 8.429 0.092 19511 4258 1 14 . 1 1 5 5 GLY N N 5 108.605 108.605 109.308 -0.703 19511 4259 1 14 . 1 1 5 5 GLY CA C 5 42.869 42.869 44.520 -1.651 19511 4260 1 14 . 1 1 5 5 GLY H H 5 8.245 8.245 8.195 0.050 19511 4261 1 14 . 1 1 6 6 LYS N N 6 120.900 120.900 121.412 -0.512 19511 4262 1 14 . 1 1 6 6 LYS HA H 6 4.454 4.454 4.145 0.309 19511 4263 1 14 . 1 1 6 6 LYS CA C 6 53.594 53.594 56.724 -3.130 19511 4264 1 14 . 1 1 6 6 LYS CB C 6 31.034 31.034 32.775 -1.740 19511 4265 1 14 . 1 1 6 6 LYS H H 6 8.201 8.201 8.196 0.005 19511 4266 1 14 . 1 1 7 7 SER N N 7 118.055 118.055 119.326 -1.271 19511 4267 1 14 . 1 1 7 7 SER HA H 7 4.533 4.533 4.284 0.249 19511 4268 1 14 . 1 1 7 7 SER CA C 7 55.637 55.637 58.570 -2.933 19511 4269 1 14 . 1 1 7 7 SER CB C 7 61.343 61.343 63.709 -2.366 19511 4270 1 14 . 1 1 7 7 SER H H 7 8.425 8.425 8.299 0.126 19511 4271 1 14 . 1 1 8 8 ARG HA H 8 4.547 4.547 4.395 0.152 19511 4272 1 14 . 1 1 8 8 ARG CA C 8 53.146 53.146 55.378 -2.232 19511 4273 1 14 . 1 1 8 8 ARG CB C 8 29.317 29.317 31.747 -2.429 19511 4274 1 14 . 1 1 9 9 ARG N N 9 124.954 124.954 125.156 -0.202 19511 4275 1 14 . 1 1 9 9 ARG HA H 9 4.321 4.321 4.289 0.032 19511 4276 1 14 . 1 1 9 9 ARG CA C 9 54.049 54.049 56.188 -2.139 19511 4277 1 14 . 1 1 9 9 ARG CB C 9 28.705 28.705 28.704 0.001 19511 4278 1 14 . 1 1 9 9 ARG H H 9 9.037 9.037 8.941 0.096 19511 4279 1 14 . 1 1 10 10 ARG N N 10 122.493 122.493 120.677 1.816 19511 4280 1 14 . 1 1 10 10 ARG HA H 10 4.322 4.322 4.333 -0.011 19511 4281 1 14 . 1 1 10 10 ARG CA C 10 53.971 53.971 56.061 -2.090 19511 4282 1 14 . 1 1 10 10 ARG CB C 10 28.386 28.386 28.723 -0.337 19511 4283 1 14 . 1 1 10 10 ARG H H 10 8.350 8.350 8.356 -0.006 19511 4284 1 14 . 1 1 11 11 ARG N N 11 123.361 123.361 120.855 2.506 19511 4285 1 14 . 1 1 11 11 ARG HA H 11 4.312 4.312 4.190 0.122 19511 4286 1 14 . 1 1 11 11 ARG CA C 11 53.146 53.146 55.997 -2.851 19511 4287 1 14 . 1 1 11 11 ARG CB C 11 30.162 30.162 28.247 1.915 19511 4288 1 14 . 1 1 11 11 ARG H H 11 8.508 8.508 8.039 0.469 19511 4289 1 14 . 1 1 12 12 THR N N 12 126.287 126.287 117.994 8.293 19511 4290 1 14 . 1 1 12 12 THR HA H 12 3.790 3.790 4.033 -0.243 19511 4291 1 14 . 1 1 12 12 THR CA C 12 62.948 62.948 62.504 0.444 19511 4292 1 14 . 1 1 12 12 THR CB C 12 66.854 66.854 69.269 -2.415 19511 4293 1 14 . 1 1 12 12 THR H H 12 8.068 8.068 7.509 0.559 19511 4294 1 14 . 1 1 13 13 ALA N N 13 129.745 129.745 131.233 -1.488 19511 4295 1 14 . 1 1 13 13 ALA HA H 13 4.664 4.664 4.487 0.177 19511 4296 1 14 . 1 1 13 13 ALA CA C 13 47.602 47.602 51.321 -3.719 19511 4297 1 14 . 1 1 13 13 ALA CB C 13 16.412 16.412 18.146 -1.734 19511 4298 1 14 . 1 1 13 13 ALA H H 13 8.317 8.317 8.264 0.053 19511 4299 1 14 . 1 1 14 14 PHE N N 14 124.589 124.589 118.781 5.808 19511 4300 1 14 . 1 1 14 14 PHE HA H 14 4.708 4.708 4.789 -0.081 19511 4301 1 14 . 1 1 14 14 PHE CA C 14 56.288 56.288 55.781 0.507 19511 4302 1 14 . 1 1 14 14 PHE CB C 14 38.229 38.229 40.241 -2.012 19511 4303 1 14 . 1 1 14 14 PHE H H 14 8.594 8.594 7.430 1.164 19511 4304 1 14 . 1 1 15 15 THR N N 15 113.746 113.746 113.215 0.531 19511 4305 1 14 . 1 1 15 15 THR HA H 15 4.575 4.575 4.784 -0.209 19511 4306 1 14 . 1 1 15 15 THR CA C 15 58.027 58.027 60.160 -2.133 19511 4307 1 14 . 1 1 15 15 THR CB C 15 68.256 68.256 70.491 -2.235 19511 4308 1 14 . 1 1 15 15 THR H H 15 9.053 9.053 8.067 0.986 19511 4309 1 14 . 1 1 16 16 SER N N 16 116.624 116.624 120.730 -4.106 19511 4310 1 14 . 1 1 16 16 SER HA H 16 4.713 4.713 4.377 0.336 19511 4311 1 14 . 1 1 16 16 SER CA C 16 59.750 59.750 60.438 -0.688 19511 4312 1 14 . 1 1 16 16 SER CB C 16 59.639 59.639 63.277 -3.638 19511 4313 1 14 . 1 1 16 16 SER H H 16 9.092 9.092 8.777 0.315 19511 4314 1 14 . 1 1 17 17 GLU N N 17 120.287 120.287 121.902 -1.615 19511 4315 1 14 . 1 1 17 17 GLU HA H 17 4.081 4.081 4.172 -0.091 19511 4316 1 14 . 1 1 17 17 GLU CA C 17 57.565 57.565 59.324 -1.759 19511 4317 1 14 . 1 1 17 17 GLU CB C 17 26.998 26.998 29.728 -2.730 19511 4318 1 14 . 1 1 17 17 GLU H H 17 8.560 8.560 8.149 0.411 19511 4319 1 14 . 1 1 18 18 GLN N N 18 118.169 118.169 120.165 -1.996 19511 4320 1 14 . 1 1 18 18 GLN HA H 18 3.898 3.898 4.051 -0.153 19511 4321 1 14 . 1 1 18 18 GLN CA C 18 56.609 56.609 58.324 -1.715 19511 4322 1 14 . 1 1 18 18 GLN CB C 18 32.647 32.647 28.950 3.697 19511 4323 1 14 . 1 1 18 18 GLN H H 18 7.769 7.769 7.575 0.194 19511 4324 1 14 . 1 1 19 19 LEU N N 19 116.929 116.929 119.895 -2.966 19511 4325 1 14 . 1 1 19 19 LEU HA H 19 3.655 3.655 3.961 -0.306 19511 4326 1 14 . 1 1 19 19 LEU CA C 19 55.390 55.390 56.771 -1.381 19511 4327 1 14 . 1 1 19 19 LEU CB C 19 39.414 39.414 41.113 -1.699 19511 4328 1 14 . 1 1 19 19 LEU H H 19 8.227 8.227 8.219 0.008 19511 4329 1 14 . 1 1 20 20 LEU N N 20 118.864 118.864 121.128 -2.264 19511 4330 1 14 . 1 1 20 20 LEU HA H 20 4.034 4.034 3.915 0.119 19511 4331 1 14 . 1 1 20 20 LEU CA C 20 55.765 55.765 58.177 -2.412 19511 4332 1 14 . 1 1 20 20 LEU CB C 20 39.758 39.758 41.612 -1.854 19511 4333 1 14 . 1 1 20 20 LEU H H 20 8.037 8.037 7.403 0.634 19511 4334 1 14 . 1 1 21 21 GLU N N 21 118.147 118.147 118.388 -0.241 19511 4335 1 14 . 1 1 21 21 GLU HA H 21 4.159 4.159 4.043 0.116 19511 4336 1 14 . 1 1 21 21 GLU CA C 21 56.062 56.062 59.069 -3.007 19511 4337 1 14 . 1 1 21 21 GLU CB C 21 27.576 27.576 29.135 -1.559 19511 4338 1 14 . 1 1 21 21 GLU H H 21 7.491 7.491 7.705 -0.214 19511 4339 1 14 . 1 1 22 22 LEU N N 22 122.316 122.316 121.155 1.161 19511 4340 1 14 . 1 1 22 22 LEU HA H 22 3.534 3.534 3.768 -0.234 19511 4341 1 14 . 1 1 22 22 LEU CA C 22 56.091 56.091 58.212 -2.121 19511 4342 1 14 . 1 1 22 22 LEU CB C 22 35.557 35.557 41.645 -6.088 19511 4343 1 14 . 1 1 22 22 LEU H H 22 8.254 8.254 7.467 0.787 19511 4344 1 14 . 1 1 23 23 GLU N N 23 117.645 117.645 118.314 -0.669 19511 4345 1 14 . 1 1 23 23 GLU HA H 23 4.319 4.319 4.146 0.173 19511 4346 1 14 . 1 1 23 23 GLU CA C 23 56.627 56.627 59.324 -2.697 19511 4347 1 14 . 1 1 23 23 GLU CB C 23 26.800 26.800 29.614 -2.814 19511 4348 1 14 . 1 1 23 23 GLU H H 23 8.084 8.084 8.239 -0.155 19511 4349 1 14 . 1 1 24 24 LYS N N 24 120.989 120.989 118.837 2.152 19511 4350 1 14 . 1 1 24 24 LYS HA H 24 4.088 4.088 4.118 -0.030 19511 4351 1 14 . 1 1 24 24 LYS CA C 24 57.392 57.392 58.566 -1.173 19511 4352 1 14 . 1 1 24 24 LYS H H 24 7.884 7.884 8.130 -0.246 19511 4353 1 14 . 1 1 25 25 GLU N N 25 119.686 119.686 120.428 -0.742 19511 4354 1 14 . 1 1 25 25 GLU HA H 25 4.325 4.325 4.063 0.262 19511 4355 1 14 . 1 1 25 25 GLU CA C 25 56.529 56.529 59.249 -2.720 19511 4356 1 14 . 1 1 25 25 GLU CB C 25 26.344 26.344 29.424 -3.080 19511 4357 1 14 . 1 1 25 25 GLU H H 25 8.179 8.179 7.774 0.405 19511 4358 1 14 . 1 1 26 26 PHE N N 26 121.229 121.229 117.041 4.188 19511 4359 1 14 . 1 1 26 26 PHE HA H 26 4.769 4.769 4.757 0.012 19511 4360 1 14 . 1 1 26 26 PHE CA C 26 57.746 57.746 59.754 -2.008 19511 4361 1 14 . 1 1 26 26 PHE CB C 26 41.554 41.554 39.280 2.274 19511 4362 1 14 . 1 1 26 26 PHE H H 26 8.896 8.896 8.148 0.748 19511 4363 1 14 . 1 1 27 27 HIS N N 27 115.789 115.789 117.606 -1.817 19511 4364 1 14 . 1 1 27 27 HIS HA H 27 4.069 4.069 4.517 -0.448 19511 4365 1 14 . 1 1 27 27 HIS CA C 27 56.598 56.598 58.582 -1.984 19511 4366 1 14 . 1 1 27 27 HIS CB C 27 27.235 27.235 30.938 -3.703 19511 4367 1 14 . 1 1 27 27 HIS H H 27 8.110 8.110 7.592 0.518 19511 4368 1 14 . 1 1 28 28 CYS N N 28 115.311 115.311 116.632 -1.321 19511 4369 1 14 . 1 1 28 28 CYS HA H 28 4.553 4.553 4.343 0.210 19511 4370 1 14 . 1 1 28 28 CYS CA C 28 54.270 54.270 60.641 -6.371 19511 4371 1 14 . 1 1 28 28 CYS CB C 28 39.551 39.551 29.988 9.562 19511 4372 1 14 . 1 1 28 28 CYS H H 28 7.470 7.470 7.794 -0.324 19511 4373 1 14 . 1 1 29 29 LYS N N 29 122.013 122.013 118.078 3.935 19511 4374 1 14 . 1 1 29 29 LYS HA H 29 4.412 4.412 4.356 0.056 19511 4375 1 14 . 1 1 29 29 LYS CA C 29 53.840 53.840 54.402 -0.562 19511 4376 1 14 . 1 1 29 29 LYS CB C 29 32.448 32.448 33.514 -1.066 19511 4377 1 14 . 1 1 29 29 LYS H H 29 8.648 8.648 7.831 0.817 19511 4378 1 14 . 1 1 30 30 LYS N N 30 117.519 117.519 120.299 -2.780 19511 4379 1 14 . 1 1 30 30 LYS HA H 30 3.837 3.837 3.807 0.030 19511 4380 1 14 . 1 1 30 30 LYS CA C 30 53.748 53.748 55.326 -1.578 19511 4381 1 14 . 1 1 30 30 LYS CB C 30 30.195 30.195 31.823 -1.629 19511 4382 1 14 . 1 1 30 30 LYS H H 30 7.887 7.887 8.540 -0.653 19511 4383 1 14 . 1 1 31 31 TYR N N 31 112.770 112.770 112.066 0.704 19511 4384 1 14 . 1 1 31 31 TYR HA H 31 4.591 4.591 4.810 -0.219 19511 4385 1 14 . 1 1 31 31 TYR CA C 31 53.415 53.415 56.227 -2.812 19511 4386 1 14 . 1 1 31 31 TYR CB C 31 39.905 39.905 39.022 0.883 19511 4387 1 14 . 1 1 31 31 TYR H H 31 7.368 7.368 6.257 1.111 19511 4388 1 14 . 1 1 32 32 LEU N N 32 120.286 120.286 121.316 -1.030 19511 4389 1 14 . 1 1 32 32 LEU HA H 32 4.766 4.766 4.566 0.200 19511 4390 1 14 . 1 1 32 32 LEU CA C 32 50.290 50.290 54.849 -4.559 19511 4391 1 14 . 1 1 32 32 LEU CB C 32 42.846 42.846 45.310 -2.464 19511 4392 1 14 . 1 1 32 32 LEU H H 32 8.442 8.442 8.609 -0.167 19511 4393 1 14 . 1 1 33 33 SER N N 33 120.490 120.490 117.714 2.776 19511 4394 1 14 . 1 1 33 33 SER HA H 33 4.045 4.045 4.556 -0.511 19511 4395 1 14 . 1 1 33 33 SER CA C 33 54.957 54.957 58.415 -3.458 19511 4396 1 14 . 1 1 33 33 SER CB C 33 63.875 63.875 64.082 -0.207 19511 4397 1 14 . 1 1 33 33 SER H H 33 9.439 9.439 8.498 0.941 19511 4398 1 14 . 1 1 34 34 LEU N N 34 121.725 121.725 124.448 -2.723 19511 4399 1 14 . 1 1 34 34 LEU HA H 34 4.059 4.059 4.170 -0.111 19511 4400 1 14 . 1 1 34 34 LEU CA C 34 56.683 56.683 58.456 -1.773 19511 4401 1 14 . 1 1 34 34 LEU CB C 34 38.920 38.920 40.410 -1.490 19511 4402 1 14 . 1 1 34 34 LEU H H 34 8.886 8.886 8.840 0.046 19511 4403 1 14 . 1 1 35 35 THR N N 35 113.779 113.779 113.181 0.598 19511 4404 1 14 . 1 1 35 35 THR HA H 35 4.047 4.047 3.965 0.082 19511 4405 1 14 . 1 1 35 35 THR CA C 35 63.322 63.322 66.267 -2.945 19511 4406 1 14 . 1 1 35 35 THR CB C 35 65.973 65.973 68.118 -2.146 19511 4407 1 14 . 1 1 35 35 THR H H 35 8.142 8.142 8.327 -0.185 19511 4408 1 14 . 1 1 36 36 GLU N N 36 122.728 122.728 120.502 2.226 19511 4409 1 14 . 1 1 36 36 GLU HA H 36 4.036 4.036 4.084 -0.048 19511 4410 1 14 . 1 1 36 36 GLU CA C 36 56.454 56.454 59.050 -2.595 19511 4411 1 14 . 1 1 36 36 GLU CB C 36 27.949 27.949 29.069 -1.120 19511 4412 1 14 . 1 1 36 36 GLU H H 36 7.658 7.658 7.897 -0.239 19511 4413 1 14 . 1 1 37 37 ARG N N 37 118.862 118.862 120.337 -1.475 19511 4414 1 14 . 1 1 37 37 ARG HA H 37 3.842 3.842 4.098 -0.256 19511 4415 1 14 . 1 1 37 37 ARG CA C 37 57.537 57.537 58.999 -1.462 19511 4416 1 14 . 1 1 37 37 ARG CB C 37 28.496 28.496 30.277 -1.781 19511 4417 1 14 . 1 1 37 37 ARG H H 37 8.762 8.762 7.905 0.857 19511 4418 1 14 . 1 1 38 38 SER N N 38 113.126 113.126 114.802 -1.676 19511 4419 1 14 . 1 1 38 38 SER HA H 38 4.039 4.039 4.167 -0.128 19511 4420 1 14 . 1 1 38 38 SER CA C 38 60.349 60.349 61.309 -0.960 19511 4421 1 14 . 1 1 38 38 SER CB C 38 65.383 65.383 62.924 2.459 19511 4422 1 14 . 1 1 38 38 SER H H 38 7.989 7.989 7.869 0.120 19511 4423 1 14 . 1 1 39 39 GLN N N 39 121.461 121.461 121.310 0.151 19511 4424 1 14 . 1 1 39 39 GLN HA H 39 4.176 4.176 3.952 0.224 19511 4425 1 14 . 1 1 39 39 GLN CA C 39 56.766 56.766 58.974 -2.208 19511 4426 1 14 . 1 1 39 39 GLN CB C 39 25.985 25.985 28.673 -2.688 19511 4427 1 14 . 1 1 39 39 GLN H H 39 8.017 8.017 7.426 0.591 19511 4428 1 14 . 1 1 40 40 ILE N N 40 121.303 121.303 120.004 1.299 19511 4429 1 14 . 1 1 40 40 ILE HA H 40 3.943 3.943 3.455 0.488 19511 4430 1 14 . 1 1 40 40 ILE CA C 40 62.170 62.170 65.391 -3.221 19511 4431 1 14 . 1 1 40 40 ILE CB C 40 35.984 35.984 37.609 -1.625 19511 4432 1 14 . 1 1 40 40 ILE H H 40 8.290 8.290 7.383 0.907 19511 4433 1 14 . 1 1 41 41 ALA N N 41 121.610 121.610 118.409 3.201 19511 4434 1 14 . 1 1 41 41 ALA HA H 41 3.757 3.757 3.993 -0.236 19511 4435 1 14 . 1 1 41 41 ALA CA C 41 53.812 53.812 54.550 -0.738 19511 4436 1 14 . 1 1 41 41 ALA CB C 41 15.288 15.288 18.486 -3.199 19511 4437 1 14 . 1 1 41 41 ALA H H 41 8.201 8.201 7.856 0.345 19511 4438 1 14 . 1 1 42 42 HIS N N 42 114.498 114.498 113.795 0.703 19511 4439 1 14 . 1 1 42 42 HIS HA H 42 3.751 3.751 4.655 -0.904 19511 4440 1 14 . 1 1 42 42 HIS CA C 42 53.713 53.713 56.002 -2.289 19511 4441 1 14 . 1 1 42 42 HIS CB C 42 25.282 25.282 31.706 -6.423 19511 4442 1 14 . 1 1 42 42 HIS H H 42 8.136 8.136 7.737 0.399 19511 4443 1 14 . 1 1 43 43 ALA N N 43 121.763 121.763 121.488 0.275 19511 4444 1 14 . 1 1 43 43 ALA HA H 43 4.118 4.118 4.381 -0.263 19511 4445 1 14 . 1 1 43 43 ALA CA C 43 52.521 52.521 53.135 -0.613 19511 4446 1 14 . 1 1 43 43 ALA CB C 43 16.046 16.046 20.045 -3.999 19511 4447 1 14 . 1 1 43 43 ALA H H 43 8.181 8.181 8.283 -0.102 19511 4448 1 14 . 1 1 44 44 LEU N N 44 114.063 114.063 119.172 -5.109 19511 4449 1 14 . 1 1 44 44 LEU HA H 44 4.416 4.416 4.286 0.130 19511 4450 1 14 . 1 1 44 44 LEU CA C 44 51.814 51.814 55.432 -3.618 19511 4451 1 14 . 1 1 44 44 LEU CB C 44 40.181 40.181 43.709 -3.528 19511 4452 1 14 . 1 1 44 44 LEU H H 44 8.016 8.016 7.654 0.362 19511 4453 1 14 . 1 1 45 45 LYS N N 45 116.933 116.933 116.352 0.581 19511 4454 1 14 . 1 1 45 45 LYS HA H 45 4.026 4.026 4.490 -0.464 19511 4455 1 14 . 1 1 45 45 LYS CA C 45 54.887 54.887 56.169 -1.282 19511 4456 1 14 . 1 1 45 45 LYS CB C 45 26.031 26.031 32.137 -6.106 19511 4457 1 14 . 1 1 45 45 LYS H H 45 7.867 7.867 8.251 -0.384 19511 4458 1 14 . 1 1 46 46 LEU N N 46 119.776 119.776 118.875 0.901 19511 4459 1 14 . 1 1 46 46 LEU HA H 46 4.937 4.937 4.769 0.168 19511 4460 1 14 . 1 1 46 46 LEU CA C 46 49.983 49.983 53.899 -3.916 19511 4461 1 14 . 1 1 46 46 LEU CB C 46 45.389 45.389 43.795 1.594 19511 4462 1 14 . 1 1 46 46 LEU H H 46 8.517 8.517 7.653 0.864 19511 4463 1 14 . 1 1 47 47 SER N N 47 114.945 114.945 116.083 -1.138 19511 4464 1 14 . 1 1 47 47 SER HA H 47 4.856 4.856 4.711 0.145 19511 4465 1 14 . 1 1 47 47 SER CA C 47 54.112 54.112 56.860 -2.748 19511 4466 1 14 . 1 1 47 47 SER CB C 47 62.635 62.635 64.298 -1.663 19511 4467 1 14 . 1 1 47 47 SER H H 47 9.225 9.225 8.800 0.425 19511 4468 1 14 . 1 1 48 48 GLU N N 48 122.216 122.216 128.438 -6.222 19511 4469 1 14 . 1 1 48 48 GLU HA H 48 3.778 3.778 4.004 -0.226 19511 4470 1 14 . 1 1 48 48 GLU CA C 48 58.893 58.893 60.541 -1.647 19511 4471 1 14 . 1 1 48 48 GLU CB C 48 27.002 27.002 29.636 -2.634 19511 4472 1 14 . 1 1 48 48 GLU H H 48 9.278 9.278 9.122 0.156 19511 4473 1 14 . 1 1 49 49 VAL N N 49 118.235 118.235 118.592 -0.357 19511 4474 1 14 . 1 1 49 49 VAL HA H 49 3.854 3.854 3.937 -0.083 19511 4475 1 14 . 1 1 49 49 VAL CA C 49 63.808 63.808 65.613 -1.805 19511 4476 1 14 . 1 1 49 49 VAL CB C 49 29.556 29.556 31.184 -1.629 19511 4477 1 14 . 1 1 49 49 VAL H H 49 7.993 7.993 8.016 -0.023 19511 4478 1 14 . 1 1 50 50 GLN N N 50 119.879 119.879 118.902 0.977 19511 4479 1 14 . 1 1 50 50 GLN HA H 50 4.296 4.296 4.167 0.129 19511 4480 1 14 . 1 1 50 50 GLN CA C 50 57.495 57.495 58.491 -0.996 19511 4481 1 14 . 1 1 50 50 GLN CB C 50 27.381 27.381 28.750 -1.369 19511 4482 1 14 . 1 1 50 50 GLN H H 50 7.705 7.705 7.711 -0.006 19511 4483 1 14 . 1 1 51 51 VAL N N 51 117.905 117.905 121.502 -3.597 19511 4484 1 14 . 1 1 51 51 VAL HA H 51 3.818 3.818 3.693 0.125 19511 4485 1 14 . 1 1 51 51 VAL CA C 51 64.839 64.839 66.465 -1.625 19511 4486 1 14 . 1 1 51 51 VAL CB C 51 29.968 29.968 31.417 -1.449 19511 4487 1 14 . 1 1 51 51 VAL H H 51 7.629 7.629 8.540 -0.910 19511 4488 1 14 . 1 1 52 52 LYS N N 52 120.669 120.669 119.027 1.642 19511 4489 1 14 . 1 1 52 52 LYS HA H 52 4.168 4.168 4.424 -0.256 19511 4490 1 14 . 1 1 52 52 LYS CA C 52 57.489 57.489 59.523 -2.034 19511 4491 1 14 . 1 1 52 52 LYS CB C 52 30.473 30.473 32.599 -2.126 19511 4492 1 14 . 1 1 52 52 LYS H H 52 8.802 8.802 7.880 0.922 19511 4493 1 14 . 1 1 53 53 ILE N N 53 120.041 120.041 116.298 3.743 19511 4494 1 14 . 1 1 53 53 ILE HA H 53 3.710 3.710 4.272 -0.562 19511 4495 1 14 . 1 1 53 53 ILE CA C 53 61.549 61.549 62.539 -0.990 19511 4496 1 14 . 1 1 53 53 ILE CB C 53 35.022 35.022 39.023 -4.001 19511 4497 1 14 . 1 1 53 53 ILE H H 53 8.711 8.711 7.774 0.937 19511 4498 1 14 . 1 1 54 54 TRP N N 54 123.292 123.292 124.702 -1.410 19511 4499 1 14 . 1 1 54 54 TRP HA H 54 4.731 4.731 4.193 0.538 19511 4500 1 14 . 1 1 54 54 TRP CA C 54 60.105 60.105 62.103 -1.998 19511 4501 1 14 . 1 1 54 54 TRP CB C 54 26.108 26.108 29.377 -3.269 19511 4502 1 14 . 1 1 54 54 TRP H H 54 8.467 8.467 7.906 0.561 19511 4503 1 14 . 1 1 55 55 PHE N N 55 118.279 118.279 117.009 1.270 19511 4504 1 14 . 1 1 55 55 PHE HA H 55 3.801 3.801 4.136 -0.335 19511 4505 1 14 . 1 1 55 55 PHE CA C 55 61.097 61.097 61.350 -0.253 19511 4506 1 14 . 1 1 55 55 PHE CB C 55 36.812 36.812 38.482 -1.670 19511 4507 1 14 . 1 1 55 55 PHE H H 55 8.923 8.923 7.776 1.147 19511 4508 1 14 . 1 1 56 56 GLN N N 56 117.830 117.830 115.886 1.944 19511 4509 1 14 . 1 1 56 56 GLN HA H 56 4.036 4.036 4.163 -0.127 19511 4510 1 14 . 1 1 56 56 GLN CA C 56 57.329 57.329 57.538 -0.209 19511 4511 1 14 . 1 1 56 56 GLN CB C 56 25.312 25.312 27.963 -2.651 19511 4512 1 14 . 1 1 56 56 GLN H H 56 7.994 7.994 8.023 -0.029 19511 4513 1 14 . 1 1 57 57 ASN N N 57 119.840 119.840 115.272 4.568 19511 4514 1 14 . 1 1 57 57 ASN HA H 57 4.632 4.632 4.783 -0.151 19511 4515 1 14 . 1 1 57 57 ASN CA C 57 55.637 55.637 54.203 1.434 19511 4516 1 14 . 1 1 57 57 ASN CB C 57 35.824 35.824 39.762 -3.938 19511 4517 1 14 . 1 1 57 57 ASN H H 57 8.715 8.715 7.750 0.965 19511 4518 1 14 . 1 1 58 58 ARG N N 58 125.366 125.366 122.107 3.259 19511 4519 1 14 . 1 1 58 58 ARG HA H 58 3.656 3.656 3.791 -0.135 19511 4520 1 14 . 1 1 58 58 ARG CA C 58 53.865 53.865 56.969 -3.104 19511 4521 1 14 . 1 1 58 58 ARG CB C 58 25.436 25.436 29.306 -3.870 19511 4522 1 14 . 1 1 58 58 ARG H H 58 8.806 8.806 7.409 1.397 19511 4523 1 14 . 1 1 59 59 ARG N N 59 120.172 120.172 117.231 2.941 19511 4524 1 14 . 1 1 59 59 ARG CB C 59 29.582 29.582 30.282 -0.700 19511 4525 1 14 . 1 1 59 59 ARG H H 59 8.345 8.345 7.612 0.733 19511 4526 1 14 . 1 1 60 60 ALA N N 60 122.418 122.418 122.626 -0.208 19511 4527 1 14 . 1 1 60 60 ALA HA H 60 4.420 4.420 4.242 0.178 19511 4528 1 14 . 1 1 60 60 ALA CA C 60 53.005 53.005 53.830 -0.824 19511 4529 1 14 . 1 1 60 60 ALA CB C 60 15.567 15.567 18.301 -2.734 19511 4530 1 14 . 1 1 60 60 ALA H H 60 7.587 7.587 7.872 -0.285 19511 4531 1 14 . 1 1 61 61 LYS N N 61 119.912 119.912 119.782 0.130 19511 4532 1 14 . 1 1 61 61 LYS HA H 61 4.003 4.003 3.823 0.180 19511 4533 1 14 . 1 1 61 61 LYS CA C 61 57.164 57.164 59.505 -2.341 19511 4534 1 14 . 1 1 61 61 LYS CB C 61 30.390 30.390 31.861 -1.471 19511 4535 1 14 . 1 1 61 61 LYS H H 61 7.856 7.856 8.100 -0.244 19511 4536 1 14 . 1 1 62 62 TRP N N 62 119.782 119.782 117.183 2.599 19511 4537 1 14 . 1 1 62 62 TRP HA H 62 4.535 4.535 4.494 0.041 19511 4538 1 14 . 1 1 62 62 TRP CA C 62 57.359 57.359 59.317 -1.958 19511 4539 1 14 . 1 1 62 62 TRP CB C 62 27.020 27.020 28.889 -1.869 19511 4540 1 14 . 1 1 62 62 TRP H H 62 8.265 8.265 7.504 0.761 19511 4541 1 14 . 1 1 63 63 LYS N N 63 117.139 117.139 120.381 -3.242 19511 4542 1 14 . 1 1 63 63 LYS HA H 63 3.713 3.713 4.060 -0.347 19511 4543 1 14 . 1 1 63 63 LYS CA C 63 56.518 56.518 59.123 -2.605 19511 4544 1 14 . 1 1 63 63 LYS CB C 63 30.224 30.224 32.061 -1.837 19511 4545 1 14 . 1 1 63 63 LYS H H 63 8.262 8.262 8.198 0.064 19511 4546 1 14 . 1 1 64 64 ARG N N 64 118.868 118.868 118.426 0.442 19511 4547 1 14 . 1 1 64 64 ARG HA H 64 4.192 4.192 4.165 0.027 19511 4548 1 14 . 1 1 64 64 ARG CA C 64 56.249 56.249 58.501 -2.252 19511 4549 1 14 . 1 1 64 64 ARG CB C 64 28.227 28.227 29.494 -1.267 19511 4550 1 14 . 1 1 64 64 ARG H H 64 7.737 7.737 8.325 -0.588 19511 4551 1 14 . 1 1 65 65 ILE N N 65 119.744 119.744 114.848 4.896 19511 4552 1 14 . 1 1 65 65 ILE HA H 65 4.012 4.012 4.197 -0.185 19511 4553 1 14 . 1 1 65 65 ILE CA C 65 60.187 60.187 61.626 -1.439 19511 4554 1 14 . 1 1 65 65 ILE CB C 65 35.588 35.588 38.888 -3.300 19511 4555 1 14 . 1 1 65 65 ILE H H 65 8.010 8.010 7.626 0.384 19511 4556 1 14 . 1 1 66 66 LYS N N 66 122.316 122.316 119.431 2.885 19511 4557 1 14 . 1 1 66 66 LYS HA H 66 4.106 4.106 4.405 -0.299 19511 4558 1 14 . 1 1 66 66 LYS CA C 66 54.657 54.657 55.507 -0.850 19511 4559 1 14 . 1 1 66 66 LYS CB C 66 29.634 29.634 34.515 -4.881 19511 4560 1 14 . 1 1 66 66 LYS H H 66 8.055 8.055 7.683 0.372 19511 4561 1 14 . 1 1 67 67 ALA N N 67 122.520 122.520 123.854 -1.334 19511 4562 1 14 . 1 1 67 67 ALA HA H 67 4.291 4.291 4.276 0.015 19511 4563 1 14 . 1 1 67 67 ALA CA C 67 50.463 50.463 52.829 -2.366 19511 4564 1 14 . 1 1 67 67 ALA CB C 67 16.535 16.535 18.806 -2.272 19511 4565 1 14 . 1 1 67 67 ALA H H 67 7.846 7.846 7.669 0.177 19511 4566 1 14 . 1 1 68 68 GLY N N 68 106.371 106.371 111.300 -4.929 19511 4567 1 14 . 1 1 68 68 GLY CA C 68 42.991 42.991 44.805 -1.814 19511 4568 1 14 . 1 1 68 68 GLY H H 68 8.053 8.053 8.641 -0.588 19511 4569 1 14 . 1 1 69 69 ASN N N 69 118.766 118.766 123.306 -4.540 19511 4570 1 14 . 1 1 69 69 ASN HA H 69 4.832 4.832 4.856 -0.024 19511 4571 1 14 . 1 1 69 69 ASN CA C 69 50.749 50.749 52.456 -1.708 19511 4572 1 14 . 1 1 69 69 ASN CB C 69 36.737 36.737 40.642 -3.905 19511 4573 1 14 . 1 1 69 69 ASN H H 69 8.166 8.166 8.557 -0.391 19511 4574 1 14 . 1 1 70 70 VAL N N 70 119.471 119.471 120.735 -1.264 19511 4575 1 14 . 1 1 70 70 VAL HA H 70 4.265 4.265 4.355 -0.090 19511 4576 1 14 . 1 1 70 70 VAL CA C 70 59.765 59.765 61.962 -2.197 19511 4577 1 14 . 1 1 70 70 VAL CB C 70 30.482 30.482 31.557 -1.075 19511 4578 1 14 . 1 1 70 70 VAL H H 70 8.087 8.087 8.604 -0.517 19511 4579 1 15 . 1 1 3 3 PRO HA H 3 4.499 4.499 4.533 -0.034 19511 4580 1 15 . 1 1 3 3 PRO CA C 3 61.077 61.077 63.308 -2.231 19511 4581 1 15 . 1 1 3 3 PRO CB C 3 29.635 29.635 32.330 -2.695 19511 4582 1 15 . 1 1 4 4 GLY N N 4 109.482 109.482 110.856 -1.374 19511 4583 1 15 . 1 1 4 4 GLY CA C 4 42.963 42.963 45.222 -2.259 19511 4584 1 15 . 1 1 4 4 GLY H H 4 8.521 8.521 8.257 0.264 19511 4585 1 15 . 1 1 5 5 GLY N N 5 108.605 108.605 109.411 -0.806 19511 4586 1 15 . 1 1 5 5 GLY CA C 5 42.869 42.869 44.662 -1.793 19511 4587 1 15 . 1 1 5 5 GLY H H 5 8.245 8.245 8.368 -0.123 19511 4588 1 15 . 1 1 6 6 LYS N N 6 120.900 120.900 123.894 -2.994 19511 4589 1 15 . 1 1 6 6 LYS HA H 6 4.454 4.454 4.450 0.004 19511 4590 1 15 . 1 1 6 6 LYS CA C 6 53.594 53.594 56.333 -2.739 19511 4591 1 15 . 1 1 6 6 LYS CB C 6 31.034 31.034 33.083 -2.049 19511 4592 1 15 . 1 1 6 6 LYS H H 6 8.201 8.201 8.224 -0.023 19511 4593 1 15 . 1 1 7 7 SER N N 7 118.055 118.055 115.391 2.664 19511 4594 1 15 . 1 1 7 7 SER HA H 7 4.533 4.533 4.493 0.040 19511 4595 1 15 . 1 1 7 7 SER CA C 7 55.637 55.637 57.884 -2.247 19511 4596 1 15 . 1 1 7 7 SER CB C 7 61.343 61.343 64.993 -3.650 19511 4597 1 15 . 1 1 7 7 SER H H 7 8.425 8.425 8.214 0.211 19511 4598 1 15 . 1 1 8 8 ARG HA H 8 4.547 4.547 4.448 0.099 19511 4599 1 15 . 1 1 8 8 ARG CA C 8 53.146 53.146 55.552 -2.406 19511 4600 1 15 . 1 1 8 8 ARG CB C 8 29.317 29.317 29.984 -0.667 19511 4601 1 15 . 1 1 9 9 ARG N N 9 124.954 124.954 123.405 1.549 19511 4602 1 15 . 1 1 9 9 ARG HA H 9 4.321 4.321 4.197 0.124 19511 4603 1 15 . 1 1 9 9 ARG CA C 9 54.049 54.049 56.142 -2.093 19511 4604 1 15 . 1 1 9 9 ARG CB C 9 28.705 28.705 31.011 -2.306 19511 4605 1 15 . 1 1 9 9 ARG H H 9 9.037 9.037 8.321 0.716 19511 4606 1 15 . 1 1 10 10 ARG N N 10 122.493 122.493 122.817 -0.324 19511 4607 1 15 . 1 1 10 10 ARG HA H 10 4.322 4.322 4.117 0.205 19511 4608 1 15 . 1 1 10 10 ARG CA C 10 53.971 53.971 56.221 -2.250 19511 4609 1 15 . 1 1 10 10 ARG CB C 10 28.386 28.386 28.903 -0.517 19511 4610 1 15 . 1 1 10 10 ARG H H 10 8.350 8.350 8.821 -0.471 19511 4611 1 15 . 1 1 11 11 ARG N N 11 123.361 123.361 121.322 2.039 19511 4612 1 15 . 1 1 11 11 ARG HA H 11 4.312 4.312 4.210 0.102 19511 4613 1 15 . 1 1 11 11 ARG CA C 11 53.146 53.146 55.746 -2.600 19511 4614 1 15 . 1 1 11 11 ARG CB C 11 30.162 30.162 28.133 2.029 19511 4615 1 15 . 1 1 11 11 ARG H H 11 8.508 8.508 7.952 0.556 19511 4616 1 15 . 1 1 12 12 THR N N 12 126.287 126.287 116.237 10.050 19511 4617 1 15 . 1 1 12 12 THR HA H 12 3.790 3.790 4.031 -0.241 19511 4618 1 15 . 1 1 12 12 THR CA C 12 62.948 62.948 61.995 0.954 19511 4619 1 15 . 1 1 12 12 THR CB C 12 66.854 66.854 69.706 -2.852 19511 4620 1 15 . 1 1 12 12 THR H H 12 8.068 8.068 7.677 0.391 19511 4621 1 15 . 1 1 13 13 ALA N N 13 129.745 129.745 124.341 5.404 19511 4622 1 15 . 1 1 13 13 ALA HA H 13 4.664 4.664 4.467 0.197 19511 4623 1 15 . 1 1 13 13 ALA CA C 13 47.602 47.602 51.836 -4.234 19511 4624 1 15 . 1 1 13 13 ALA CB C 13 16.412 16.412 19.730 -3.318 19511 4625 1 15 . 1 1 13 13 ALA H H 13 8.317 8.317 7.703 0.614 19511 4626 1 15 . 1 1 14 14 PHE N N 14 124.589 124.589 119.297 5.292 19511 4627 1 15 . 1 1 14 14 PHE HA H 14 4.708 4.708 5.062 -0.354 19511 4628 1 15 . 1 1 14 14 PHE CA C 14 56.288 56.288 56.325 -0.038 19511 4629 1 15 . 1 1 14 14 PHE CB C 14 38.229 38.229 40.846 -2.617 19511 4630 1 15 . 1 1 14 14 PHE H H 14 8.594 8.594 7.997 0.597 19511 4631 1 15 . 1 1 15 15 THR N N 15 113.746 113.746 113.632 0.114 19511 4632 1 15 . 1 1 15 15 THR HA H 15 4.575 4.575 4.662 -0.087 19511 4633 1 15 . 1 1 15 15 THR CA C 15 58.027 58.027 59.504 -1.476 19511 4634 1 15 . 1 1 15 15 THR CB C 15 68.256 68.256 70.635 -2.379 19511 4635 1 15 . 1 1 15 15 THR H H 15 9.053 9.053 8.159 0.895 19511 4636 1 15 . 1 1 16 16 SER N N 16 116.624 116.624 118.428 -1.804 19511 4637 1 15 . 1 1 16 16 SER HA H 16 4.713 4.713 4.260 0.453 19511 4638 1 15 . 1 1 16 16 SER CA C 16 59.750 59.750 60.827 -1.077 19511 4639 1 15 . 1 1 16 16 SER CB C 16 59.639 59.639 63.209 -3.571 19511 4640 1 15 . 1 1 16 16 SER H H 16 9.092 9.092 8.924 0.168 19511 4641 1 15 . 1 1 17 17 GLU N N 17 120.287 120.287 120.929 -0.642 19511 4642 1 15 . 1 1 17 17 GLU HA H 17 4.081 4.081 4.101 -0.020 19511 4643 1 15 . 1 1 17 17 GLU CA C 17 57.565 57.565 59.105 -1.540 19511 4644 1 15 . 1 1 17 17 GLU CB C 17 26.998 26.998 29.658 -2.660 19511 4645 1 15 . 1 1 17 17 GLU H H 17 8.560 8.560 8.081 0.479 19511 4646 1 15 . 1 1 18 18 GLN N N 18 118.169 118.169 116.942 1.227 19511 4647 1 15 . 1 1 18 18 GLN HA H 18 3.898 3.898 4.149 -0.251 19511 4648 1 15 . 1 1 18 18 GLN CA C 18 56.609 56.609 57.371 -0.762 19511 4649 1 15 . 1 1 18 18 GLN CB C 18 32.647 32.647 29.241 3.406 19511 4650 1 15 . 1 1 18 18 GLN H H 18 7.769 7.769 7.578 0.191 19511 4651 1 15 . 1 1 19 19 LEU N N 19 116.929 116.929 120.666 -3.737 19511 4652 1 15 . 1 1 19 19 LEU HA H 19 3.655 3.655 3.923 -0.268 19511 4653 1 15 . 1 1 19 19 LEU CA C 19 55.390 55.390 57.496 -2.106 19511 4654 1 15 . 1 1 19 19 LEU CB C 19 39.414 39.414 41.791 -2.377 19511 4655 1 15 . 1 1 19 19 LEU H H 19 8.227 8.227 8.691 -0.464 19511 4656 1 15 . 1 1 20 20 LEU N N 20 118.864 118.864 118.956 -0.092 19511 4657 1 15 . 1 1 20 20 LEU HA H 20 4.034 4.034 3.927 0.107 19511 4658 1 15 . 1 1 20 20 LEU CA C 20 55.765 55.765 58.022 -2.257 19511 4659 1 15 . 1 1 20 20 LEU CB C 20 39.758 39.758 41.830 -2.072 19511 4660 1 15 . 1 1 20 20 LEU H H 20 8.037 8.037 7.736 0.301 19511 4661 1 15 . 1 1 21 21 GLU N N 21 118.147 118.147 117.524 0.623 19511 4662 1 15 . 1 1 21 21 GLU HA H 21 4.159 4.159 4.092 0.067 19511 4663 1 15 . 1 1 21 21 GLU CA C 21 56.062 56.062 58.378 -2.316 19511 4664 1 15 . 1 1 21 21 GLU CB C 21 27.576 27.576 29.299 -1.723 19511 4665 1 15 . 1 1 21 21 GLU H H 21 7.491 7.491 7.948 -0.457 19511 4666 1 15 . 1 1 22 22 LEU N N 22 122.316 122.316 121.557 0.759 19511 4667 1 15 . 1 1 22 22 LEU HA H 22 3.534 3.534 3.750 -0.216 19511 4668 1 15 . 1 1 22 22 LEU CA C 22 56.091 56.091 57.978 -1.887 19511 4669 1 15 . 1 1 22 22 LEU CB C 22 35.557 35.557 41.769 -6.212 19511 4670 1 15 . 1 1 22 22 LEU H H 22 8.254 8.254 7.699 0.555 19511 4671 1 15 . 1 1 23 23 GLU N N 23 117.645 117.645 116.128 1.517 19511 4672 1 15 . 1 1 23 23 GLU HA H 23 4.319 4.319 4.454 -0.135 19511 4673 1 15 . 1 1 23 23 GLU CA C 23 56.627 56.627 58.850 -2.224 19511 4674 1 15 . 1 1 23 23 GLU CB C 23 26.800 26.800 29.914 -3.114 19511 4675 1 15 . 1 1 23 23 GLU H H 23 8.084 8.084 7.841 0.243 19511 4676 1 15 . 1 1 24 24 LYS N N 24 120.989 120.989 121.371 -0.382 19511 4677 1 15 . 1 1 24 24 LYS HA H 24 4.088 4.088 4.087 0.001 19511 4678 1 15 . 1 1 24 24 LYS CA C 24 57.392 57.392 59.191 -1.800 19511 4679 1 15 . 1 1 24 24 LYS H H 24 7.884 7.884 7.601 0.283 19511 4680 1 15 . 1 1 25 25 GLU N N 25 119.686 119.686 118.645 1.041 19511 4681 1 15 . 1 1 25 25 GLU HA H 25 4.325 4.325 4.301 0.024 19511 4682 1 15 . 1 1 25 25 GLU CA C 25 56.529 56.529 57.115 -0.587 19511 4683 1 15 . 1 1 25 25 GLU CB C 25 26.344 26.344 28.999 -2.655 19511 4684 1 15 . 1 1 25 25 GLU H H 25 8.179 8.179 7.953 0.226 19511 4685 1 15 . 1 1 26 26 PHE N N 26 121.229 121.229 118.582 2.647 19511 4686 1 15 . 1 1 26 26 PHE HA H 26 4.769 4.769 5.290 -0.521 19511 4687 1 15 . 1 1 26 26 PHE CA C 26 57.746 57.746 56.811 0.935 19511 4688 1 15 . 1 1 26 26 PHE CB C 26 41.554 41.554 40.919 0.635 19511 4689 1 15 . 1 1 26 26 PHE H H 26 8.896 8.896 7.535 1.361 19511 4690 1 15 . 1 1 27 27 HIS N N 27 115.789 115.789 120.235 -4.446 19511 4691 1 15 . 1 1 27 27 HIS HA H 27 4.069 4.069 4.435 -0.366 19511 4692 1 15 . 1 1 27 27 HIS CA C 27 56.598 56.598 60.281 -3.683 19511 4693 1 15 . 1 1 27 27 HIS CB C 27 27.235 27.235 30.483 -3.248 19511 4694 1 15 . 1 1 27 27 HIS H H 27 8.110 8.110 8.382 -0.272 19511 4695 1 15 . 1 1 28 28 CYS N N 28 115.311 115.311 116.332 -1.021 19511 4696 1 15 . 1 1 28 28 CYS HA H 28 4.553 4.553 4.262 0.291 19511 4697 1 15 . 1 1 28 28 CYS CA C 28 54.270 54.270 60.255 -5.985 19511 4698 1 15 . 1 1 28 28 CYS CB C 28 39.551 39.551 28.839 10.712 19511 4699 1 15 . 1 1 28 28 CYS H H 28 7.470 7.470 8.605 -1.135 19511 4700 1 15 . 1 1 29 29 LYS N N 29 122.013 122.013 117.936 4.077 19511 4701 1 15 . 1 1 29 29 LYS HA H 29 4.412 4.412 4.149 0.263 19511 4702 1 15 . 1 1 29 29 LYS CA C 29 53.840 53.840 55.116 -1.276 19511 4703 1 15 . 1 1 29 29 LYS CB C 29 32.448 32.448 33.156 -0.708 19511 4704 1 15 . 1 1 29 29 LYS H H 29 8.648 8.648 7.569 1.079 19511 4705 1 15 . 1 1 30 30 LYS N N 30 117.519 117.519 125.294 -7.775 19511 4706 1 15 . 1 1 30 30 LYS HA H 30 3.837 3.837 3.707 0.130 19511 4707 1 15 . 1 1 30 30 LYS CA C 30 53.748 53.748 54.287 -0.539 19511 4708 1 15 . 1 1 30 30 LYS CB C 30 30.195 30.195 31.069 -0.874 19511 4709 1 15 . 1 1 30 30 LYS H H 30 7.887 7.887 8.067 -0.180 19511 4710 1 15 . 1 1 31 31 TYR N N 31 112.770 112.770 113.255 -0.485 19511 4711 1 15 . 1 1 31 31 TYR HA H 31 4.591 4.591 4.963 -0.372 19511 4712 1 15 . 1 1 31 31 TYR CA C 31 53.415 53.415 56.413 -2.998 19511 4713 1 15 . 1 1 31 31 TYR CB C 31 39.905 39.905 38.367 1.538 19511 4714 1 15 . 1 1 31 31 TYR H H 31 7.368 7.368 6.961 0.407 19511 4715 1 15 . 1 1 32 32 LEU N N 32 120.286 120.286 122.247 -1.961 19511 4716 1 15 . 1 1 32 32 LEU HA H 32 4.766 4.766 4.906 -0.140 19511 4717 1 15 . 1 1 32 32 LEU CA C 32 50.290 50.290 54.292 -4.002 19511 4718 1 15 . 1 1 32 32 LEU CB C 32 42.846 42.846 44.289 -1.443 19511 4719 1 15 . 1 1 32 32 LEU H H 32 8.442 8.442 8.287 0.155 19511 4720 1 15 . 1 1 33 33 SER N N 33 120.490 120.490 117.825 2.665 19511 4721 1 15 . 1 1 33 33 SER HA H 33 4.045 4.045 4.363 -0.318 19511 4722 1 15 . 1 1 33 33 SER CA C 33 54.957 54.957 58.237 -3.280 19511 4723 1 15 . 1 1 33 33 SER CB C 33 63.875 63.875 64.229 -0.354 19511 4724 1 15 . 1 1 33 33 SER H H 33 9.439 9.439 9.119 0.320 19511 4725 1 15 . 1 1 34 34 LEU N N 34 121.725 121.725 123.836 -2.111 19511 4726 1 15 . 1 1 34 34 LEU HA H 34 4.059 4.059 4.079 -0.020 19511 4727 1 15 . 1 1 34 34 LEU CA C 34 56.683 56.683 58.554 -1.871 19511 4728 1 15 . 1 1 34 34 LEU CB C 34 38.920 38.920 40.410 -1.490 19511 4729 1 15 . 1 1 34 34 LEU H H 34 8.886 8.886 8.676 0.210 19511 4730 1 15 . 1 1 35 35 THR N N 35 113.779 113.779 112.774 1.005 19511 4731 1 15 . 1 1 35 35 THR HA H 35 4.047 4.047 4.069 -0.022 19511 4732 1 15 . 1 1 35 35 THR CA C 35 63.322 63.322 65.959 -2.637 19511 4733 1 15 . 1 1 35 35 THR CB C 35 65.973 65.973 68.401 -2.428 19511 4734 1 15 . 1 1 35 35 THR H H 35 8.142 8.142 8.096 0.046 19511 4735 1 15 . 1 1 36 36 GLU N N 36 122.728 122.728 121.895 0.833 19511 4736 1 15 . 1 1 36 36 GLU HA H 36 4.036 4.036 4.070 -0.034 19511 4737 1 15 . 1 1 36 36 GLU CA C 36 56.454 56.454 59.401 -2.947 19511 4738 1 15 . 1 1 36 36 GLU CB C 36 27.949 27.949 28.990 -1.041 19511 4739 1 15 . 1 1 36 36 GLU H H 36 7.658 7.658 7.808 -0.150 19511 4740 1 15 . 1 1 37 37 ARG N N 37 118.862 118.862 119.148 -0.286 19511 4741 1 15 . 1 1 37 37 ARG HA H 37 3.842 3.842 4.174 -0.332 19511 4742 1 15 . 1 1 37 37 ARG CA C 37 57.537 57.537 58.296 -0.759 19511 4743 1 15 . 1 1 37 37 ARG CB C 37 28.496 28.496 30.320 -1.823 19511 4744 1 15 . 1 1 37 37 ARG H H 37 8.762 8.762 8.446 0.316 19511 4745 1 15 . 1 1 38 38 SER N N 38 113.126 113.126 112.617 0.509 19511 4746 1 15 . 1 1 38 38 SER HA H 38 4.039 4.039 4.531 -0.492 19511 4747 1 15 . 1 1 38 38 SER CA C 38 60.349 60.349 59.637 0.712 19511 4748 1 15 . 1 1 38 38 SER CB C 38 65.383 65.383 63.424 1.959 19511 4749 1 15 . 1 1 38 38 SER H H 38 7.989 7.989 7.575 0.414 19511 4750 1 15 . 1 1 39 39 GLN N N 39 121.461 121.461 122.609 -1.148 19511 4751 1 15 . 1 1 39 39 GLN HA H 39 4.176 4.176 4.005 0.171 19511 4752 1 15 . 1 1 39 39 GLN CA C 39 56.766 56.766 59.180 -2.414 19511 4753 1 15 . 1 1 39 39 GLN CB C 39 25.985 25.985 28.616 -2.631 19511 4754 1 15 . 1 1 39 39 GLN H H 39 8.017 8.017 7.510 0.507 19511 4755 1 15 . 1 1 40 40 ILE N N 40 121.303 121.303 119.874 1.429 19511 4756 1 15 . 1 1 40 40 ILE HA H 40 3.943 3.943 3.621 0.322 19511 4757 1 15 . 1 1 40 40 ILE CA C 40 62.170 62.170 65.287 -3.117 19511 4758 1 15 . 1 1 40 40 ILE CB C 40 35.984 35.984 37.664 -1.680 19511 4759 1 15 . 1 1 40 40 ILE H H 40 8.290 8.290 7.729 0.561 19511 4760 1 15 . 1 1 41 41 ALA N N 41 121.610 121.610 120.136 1.474 19511 4761 1 15 . 1 1 41 41 ALA HA H 41 3.757 3.757 4.161 -0.404 19511 4762 1 15 . 1 1 41 41 ALA CA C 41 53.812 53.812 54.275 -0.463 19511 4763 1 15 . 1 1 41 41 ALA CB C 41 15.288 15.288 18.386 -3.098 19511 4764 1 15 . 1 1 41 41 ALA H H 41 8.201 8.201 8.221 -0.020 19511 4765 1 15 . 1 1 42 42 HIS N N 42 114.498 114.498 116.155 -1.657 19511 4766 1 15 . 1 1 42 42 HIS HA H 42 3.751 3.751 4.433 -0.682 19511 4767 1 15 . 1 1 42 42 HIS CA C 42 53.713 53.713 57.584 -3.871 19511 4768 1 15 . 1 1 42 42 HIS CB C 42 25.282 25.282 30.192 -4.910 19511 4769 1 15 . 1 1 42 42 HIS H H 42 8.136 8.136 7.708 0.428 19511 4770 1 15 . 1 1 43 43 ALA N N 43 121.763 121.763 120.551 1.212 19511 4771 1 15 . 1 1 43 43 ALA HA H 43 4.118 4.118 4.453 -0.335 19511 4772 1 15 . 1 1 43 43 ALA CA C 43 52.521 52.521 52.351 0.170 19511 4773 1 15 . 1 1 43 43 ALA CB C 43 16.046 16.046 21.760 -5.714 19511 4774 1 15 . 1 1 43 43 ALA H H 43 8.181 8.181 7.857 0.324 19511 4775 1 15 . 1 1 44 44 LEU N N 44 114.063 114.063 120.167 -6.104 19511 4776 1 15 . 1 1 44 44 LEU HA H 44 4.416 4.416 4.451 -0.035 19511 4777 1 15 . 1 1 44 44 LEU CA C 44 51.814 51.814 54.797 -2.983 19511 4778 1 15 . 1 1 44 44 LEU CB C 44 40.181 40.181 45.221 -5.040 19511 4779 1 15 . 1 1 44 44 LEU H H 44 8.016 8.016 7.913 0.103 19511 4780 1 15 . 1 1 45 45 LYS N N 45 116.933 116.933 122.959 -6.026 19511 4781 1 15 . 1 1 45 45 LYS HA H 45 4.026 4.026 4.122 -0.096 19511 4782 1 15 . 1 1 45 45 LYS CA C 45 54.887 54.887 56.932 -2.046 19511 4783 1 15 . 1 1 45 45 LYS CB C 45 26.031 26.031 29.896 -3.865 19511 4784 1 15 . 1 1 45 45 LYS H H 45 7.867 7.867 8.722 -0.855 19511 4785 1 15 . 1 1 46 46 LEU N N 46 119.776 119.776 120.144 -0.368 19511 4786 1 15 . 1 1 46 46 LEU HA H 46 4.937 4.937 4.216 0.721 19511 4787 1 15 . 1 1 46 46 LEU CA C 46 49.983 49.983 55.309 -5.326 19511 4788 1 15 . 1 1 46 46 LEU CB C 46 45.389 45.389 42.961 2.428 19511 4789 1 15 . 1 1 46 46 LEU H H 46 8.517 8.517 7.600 0.917 19511 4790 1 15 . 1 1 47 47 SER N N 47 114.945 114.945 115.636 -0.691 19511 4791 1 15 . 1 1 47 47 SER HA H 47 4.856 4.856 4.642 0.214 19511 4792 1 15 . 1 1 47 47 SER CA C 47 54.112 54.112 57.935 -3.823 19511 4793 1 15 . 1 1 47 47 SER CB C 47 62.635 62.635 63.726 -1.091 19511 4794 1 15 . 1 1 47 47 SER H H 47 9.225 9.225 8.642 0.583 19511 4795 1 15 . 1 1 48 48 GLU N N 48 122.216 122.216 126.552 -4.336 19511 4796 1 15 . 1 1 48 48 GLU HA H 48 3.778 3.778 3.978 -0.200 19511 4797 1 15 . 1 1 48 48 GLU CA C 48 58.893 58.893 59.685 -0.792 19511 4798 1 15 . 1 1 48 48 GLU CB C 48 27.002 27.002 29.499 -2.497 19511 4799 1 15 . 1 1 48 48 GLU H H 48 9.278 9.278 9.075 0.203 19511 4800 1 15 . 1 1 49 49 VAL N N 49 118.235 118.235 119.562 -1.327 19511 4801 1 15 . 1 1 49 49 VAL HA H 49 3.854 3.854 3.807 0.047 19511 4802 1 15 . 1 1 49 49 VAL CA C 49 63.808 63.808 65.665 -1.857 19511 4803 1 15 . 1 1 49 49 VAL CB C 49 29.556 29.556 31.503 -1.947 19511 4804 1 15 . 1 1 49 49 VAL H H 49 7.993 7.993 7.956 0.037 19511 4805 1 15 . 1 1 50 50 GLN N N 50 119.879 119.879 119.343 0.536 19511 4806 1 15 . 1 1 50 50 GLN HA H 50 4.296 4.296 4.163 0.133 19511 4807 1 15 . 1 1 50 50 GLN CA C 50 57.495 57.495 58.462 -0.966 19511 4808 1 15 . 1 1 50 50 GLN CB C 50 27.381 27.381 28.478 -1.097 19511 4809 1 15 . 1 1 50 50 GLN H H 50 7.705 7.705 7.774 -0.069 19511 4810 1 15 . 1 1 51 51 VAL N N 51 117.905 117.905 120.064 -2.159 19511 4811 1 15 . 1 1 51 51 VAL HA H 51 3.818 3.818 3.679 0.139 19511 4812 1 15 . 1 1 51 51 VAL CA C 51 64.839 64.839 66.017 -1.178 19511 4813 1 15 . 1 1 51 51 VAL CB C 51 29.968 29.968 31.194 -1.226 19511 4814 1 15 . 1 1 51 51 VAL H H 51 7.629 7.629 7.763 -0.134 19511 4815 1 15 . 1 1 52 52 LYS N N 52 120.669 120.669 118.521 2.148 19511 4816 1 15 . 1 1 52 52 LYS HA H 52 4.168 4.168 4.359 -0.191 19511 4817 1 15 . 1 1 52 52 LYS CA C 52 57.489 57.489 59.002 -1.513 19511 4818 1 15 . 1 1 52 52 LYS CB C 52 30.473 30.473 32.542 -2.069 19511 4819 1 15 . 1 1 52 52 LYS H H 52 8.802 8.802 7.685 1.117 19511 4820 1 15 . 1 1 53 53 ILE N N 53 120.041 120.041 115.916 4.125 19511 4821 1 15 . 1 1 53 53 ILE HA H 53 3.710 3.710 3.886 -0.176 19511 4822 1 15 . 1 1 53 53 ILE CA C 53 61.549 61.549 62.296 -0.747 19511 4823 1 15 . 1 1 53 53 ILE CB C 53 35.022 35.022 39.011 -3.990 19511 4824 1 15 . 1 1 53 53 ILE H H 53 8.711 8.711 7.723 0.988 19511 4825 1 15 . 1 1 54 54 TRP N N 54 123.292 123.292 123.895 -0.603 19511 4826 1 15 . 1 1 54 54 TRP HA H 54 4.731 4.731 4.399 0.332 19511 4827 1 15 . 1 1 54 54 TRP CA C 54 60.105 60.105 61.280 -1.175 19511 4828 1 15 . 1 1 54 54 TRP CB C 54 26.108 26.108 30.052 -3.944 19511 4829 1 15 . 1 1 54 54 TRP H H 54 8.467 8.467 7.625 0.842 19511 4830 1 15 . 1 1 55 55 PHE N N 55 118.279 118.279 115.472 2.807 19511 4831 1 15 . 1 1 55 55 PHE HA H 55 3.801 3.801 4.368 -0.567 19511 4832 1 15 . 1 1 55 55 PHE CA C 55 61.097 61.097 59.282 1.815 19511 4833 1 15 . 1 1 55 55 PHE CB C 55 36.812 36.812 38.225 -1.413 19511 4834 1 15 . 1 1 55 55 PHE H H 55 8.923 8.923 7.148 1.775 19511 4835 1 15 . 1 1 56 56 GLN N N 56 117.830 117.830 121.418 -3.588 19511 4836 1 15 . 1 1 56 56 GLN HA H 56 4.036 4.036 3.982 0.054 19511 4837 1 15 . 1 1 56 56 GLN CA C 56 57.329 57.329 58.950 -1.621 19511 4838 1 15 . 1 1 56 56 GLN CB C 56 25.312 25.312 28.114 -2.802 19511 4839 1 15 . 1 1 56 56 GLN H H 56 7.994 7.994 7.492 0.502 19511 4840 1 15 . 1 1 57 57 ASN N N 57 119.840 119.840 118.487 1.353 19511 4841 1 15 . 1 1 57 57 ASN HA H 57 4.632 4.632 4.209 0.423 19511 4842 1 15 . 1 1 57 57 ASN CA C 57 55.637 55.637 56.530 -0.893 19511 4843 1 15 . 1 1 57 57 ASN CB C 57 35.824 35.824 38.058 -2.234 19511 4844 1 15 . 1 1 57 57 ASN H H 57 8.715 8.715 8.255 0.460 19511 4845 1 15 . 1 1 58 58 ARG N N 58 125.366 125.366 118.061 7.305 19511 4846 1 15 . 1 1 58 58 ARG HA H 58 3.656 3.656 3.947 -0.291 19511 4847 1 15 . 1 1 58 58 ARG CA C 58 53.865 53.865 57.108 -3.243 19511 4848 1 15 . 1 1 58 58 ARG CB C 58 25.436 25.436 29.683 -4.247 19511 4849 1 15 . 1 1 58 58 ARG H H 58 8.806 8.806 7.649 1.157 19511 4850 1 15 . 1 1 59 59 ARG N N 59 120.172 120.172 115.324 4.848 19511 4851 1 15 . 1 1 59 59 ARG CB C 59 29.582 29.582 30.953 -1.371 19511 4852 1 15 . 1 1 59 59 ARG H H 59 8.345 8.345 7.711 0.634 19511 4853 1 15 . 1 1 60 60 ALA N N 60 122.418 122.418 123.316 -0.898 19511 4854 1 15 . 1 1 60 60 ALA HA H 60 4.420 4.420 4.268 0.152 19511 4855 1 15 . 1 1 60 60 ALA CA C 60 53.005 53.005 54.286 -1.281 19511 4856 1 15 . 1 1 60 60 ALA CB C 60 15.567 15.567 18.626 -3.059 19511 4857 1 15 . 1 1 60 60 ALA H H 60 7.587 7.587 7.676 -0.089 19511 4858 1 15 . 1 1 61 61 LYS N N 61 119.912 119.912 119.067 0.845 19511 4859 1 15 . 1 1 61 61 LYS HA H 61 4.003 4.003 3.802 0.201 19511 4860 1 15 . 1 1 61 61 LYS CA C 61 57.164 57.164 59.469 -2.305 19511 4861 1 15 . 1 1 61 61 LYS CB C 61 30.390 30.390 31.795 -1.405 19511 4862 1 15 . 1 1 61 61 LYS H H 61 7.856 7.856 7.819 0.037 19511 4863 1 15 . 1 1 62 62 TRP N N 62 119.782 119.782 116.256 3.526 19511 4864 1 15 . 1 1 62 62 TRP HA H 62 4.535 4.535 4.502 0.033 19511 4865 1 15 . 1 1 62 62 TRP CA C 62 57.359 57.359 59.513 -2.154 19511 4866 1 15 . 1 1 62 62 TRP CB C 62 27.020 27.020 28.655 -1.635 19511 4867 1 15 . 1 1 62 62 TRP H H 62 8.265 8.265 7.676 0.589 19511 4868 1 15 . 1 1 63 63 LYS N N 63 117.139 117.139 119.837 -2.698 19511 4869 1 15 . 1 1 63 63 LYS HA H 63 3.713 3.713 4.080 -0.367 19511 4870 1 15 . 1 1 63 63 LYS CA C 63 56.518 56.518 59.216 -2.698 19511 4871 1 15 . 1 1 63 63 LYS CB C 63 30.224 30.224 31.945 -1.721 19511 4872 1 15 . 1 1 63 63 LYS H H 63 8.262 8.262 8.387 -0.125 19511 4873 1 15 . 1 1 64 64 ARG N N 64 118.868 118.868 117.196 1.672 19511 4874 1 15 . 1 1 64 64 ARG HA H 64 4.192 4.192 4.162 0.030 19511 4875 1 15 . 1 1 64 64 ARG CA C 64 56.249 56.249 57.727 -1.478 19511 4876 1 15 . 1 1 64 64 ARG CB C 64 28.227 28.227 30.059 -1.832 19511 4877 1 15 . 1 1 64 64 ARG H H 64 7.737 7.737 8.113 -0.376 19511 4878 1 15 . 1 1 65 65 ILE N N 65 119.744 119.744 118.814 0.930 19511 4879 1 15 . 1 1 65 65 ILE HA H 65 4.012 4.012 4.034 -0.022 19511 4880 1 15 . 1 1 65 65 ILE CA C 65 60.187 60.187 61.854 -1.667 19511 4881 1 15 . 1 1 65 65 ILE CB C 65 35.588 35.588 37.894 -2.306 19511 4882 1 15 . 1 1 65 65 ILE H H 65 8.010 8.010 7.941 0.069 19511 4883 1 15 . 1 1 66 66 LYS N N 66 122.316 122.316 122.097 0.219 19511 4884 1 15 . 1 1 66 66 LYS HA H 66 4.106 4.106 4.580 -0.474 19511 4885 1 15 . 1 1 66 66 LYS CA C 66 54.657 54.657 55.247 -0.590 19511 4886 1 15 . 1 1 66 66 LYS CB C 66 29.634 29.634 30.169 -0.535 19511 4887 1 15 . 1 1 66 66 LYS H H 66 8.055 8.055 8.354 -0.299 19511 4888 1 15 . 1 1 67 67 ALA N N 67 122.520 122.520 120.887 1.633 19511 4889 1 15 . 1 1 67 67 ALA HA H 67 4.291 4.291 4.612 -0.321 19511 4890 1 15 . 1 1 67 67 ALA CA C 67 50.463 50.463 52.399 -1.936 19511 4891 1 15 . 1 1 67 67 ALA CB C 67 16.535 16.535 19.385 -2.850 19511 4892 1 15 . 1 1 67 67 ALA H H 67 7.846 7.846 8.049 -0.203 19511 4893 1 15 . 1 1 68 68 GLY N N 68 106.371 106.371 106.658 -0.287 19511 4894 1 15 . 1 1 68 68 GLY CA C 68 42.991 42.991 45.149 -2.158 19511 4895 1 15 . 1 1 68 68 GLY H H 68 8.053 8.053 8.444 -0.391 19511 4896 1 15 . 1 1 69 69 ASN N N 69 118.766 118.766 118.939 -0.173 19511 4897 1 15 . 1 1 69 69 ASN HA H 69 4.832 4.832 5.136 -0.304 19511 4898 1 15 . 1 1 69 69 ASN CA C 69 50.749 50.749 52.340 -1.591 19511 4899 1 15 . 1 1 69 69 ASN CB C 69 36.737 36.737 39.711 -2.974 19511 4900 1 15 . 1 1 69 69 ASN H H 69 8.166 8.166 8.126 0.040 19511 4901 1 15 . 1 1 70 70 VAL N N 70 119.471 119.471 115.364 4.107 19511 4902 1 15 . 1 1 70 70 VAL HA H 70 4.265 4.265 4.466 -0.201 19511 4903 1 15 . 1 1 70 70 VAL CA C 70 59.765 59.765 60.767 -1.002 19511 4904 1 15 . 1 1 70 70 VAL CB C 70 30.482 30.482 33.516 -3.034 19511 4905 1 15 . 1 1 70 70 VAL H H 70 8.087 8.087 8.128 -0.041 19511 4906 1 16 . 1 1 3 3 PRO HA H 3 4.499 4.499 4.328 0.171 19511 4907 1 16 . 1 1 3 3 PRO CA C 3 61.077 61.077 63.139 -2.062 19511 4908 1 16 . 1 1 3 3 PRO CB C 3 29.635 29.635 32.369 -2.734 19511 4909 1 16 . 1 1 4 4 GLY N N 4 109.482 109.482 111.340 -1.858 19511 4910 1 16 . 1 1 4 4 GLY CA C 4 42.963 42.963 44.507 -1.544 19511 4911 1 16 . 1 1 4 4 GLY H H 4 8.521 8.521 8.058 0.463 19511 4912 1 16 . 1 1 5 5 GLY N N 5 108.605 108.605 107.576 1.029 19511 4913 1 16 . 1 1 5 5 GLY CA C 5 42.869 42.869 45.028 -2.159 19511 4914 1 16 . 1 1 5 5 GLY H H 5 8.245 8.245 8.437 -0.192 19511 4915 1 16 . 1 1 6 6 LYS N N 6 120.900 120.900 120.129 0.771 19511 4916 1 16 . 1 1 6 6 LYS HA H 6 4.454 4.454 4.502 -0.048 19511 4917 1 16 . 1 1 6 6 LYS CA C 6 53.594 53.594 55.464 -1.870 19511 4918 1 16 . 1 1 6 6 LYS CB C 6 31.034 31.034 34.397 -3.363 19511 4919 1 16 . 1 1 6 6 LYS H H 6 8.201 8.201 8.163 0.038 19511 4920 1 16 . 1 1 7 7 SER N N 7 118.055 118.055 116.483 1.572 19511 4921 1 16 . 1 1 7 7 SER HA H 7 4.533 4.533 4.607 -0.074 19511 4922 1 16 . 1 1 7 7 SER CA C 7 55.637 55.637 58.536 -2.899 19511 4923 1 16 . 1 1 7 7 SER CB C 7 61.343 61.343 64.167 -2.824 19511 4924 1 16 . 1 1 7 7 SER H H 7 8.425 8.425 8.243 0.182 19511 4925 1 16 . 1 1 8 8 ARG HA H 8 4.547 4.547 4.511 0.036 19511 4926 1 16 . 1 1 8 8 ARG CA C 8 53.146 53.146 56.111 -2.965 19511 4927 1 16 . 1 1 8 8 ARG CB C 8 29.317 29.317 30.406 -1.089 19511 4928 1 16 . 1 1 9 9 ARG N N 9 124.954 124.954 121.856 3.098 19511 4929 1 16 . 1 1 9 9 ARG HA H 9 4.321 4.321 4.289 0.032 19511 4930 1 16 . 1 1 9 9 ARG CA C 9 54.049 54.049 56.022 -1.973 19511 4931 1 16 . 1 1 9 9 ARG CB C 9 28.705 28.705 28.842 -0.137 19511 4932 1 16 . 1 1 9 9 ARG H H 9 9.037 9.037 8.548 0.489 19511 4933 1 16 . 1 1 10 10 ARG N N 10 122.493 122.493 121.146 1.347 19511 4934 1 16 . 1 1 10 10 ARG HA H 10 4.322 4.322 4.335 -0.013 19511 4935 1 16 . 1 1 10 10 ARG CA C 10 53.971 53.971 56.019 -2.048 19511 4936 1 16 . 1 1 10 10 ARG CB C 10 28.386 28.386 28.637 -0.251 19511 4937 1 16 . 1 1 10 10 ARG H H 10 8.350 8.350 8.168 0.182 19511 4938 1 16 . 1 1 11 11 ARG N N 11 123.361 123.361 123.421 -0.060 19511 4939 1 16 . 1 1 11 11 ARG HA H 11 4.312 4.312 4.297 0.015 19511 4940 1 16 . 1 1 11 11 ARG CA C 11 53.146 53.146 56.027 -2.881 19511 4941 1 16 . 1 1 11 11 ARG CB C 11 30.162 30.162 28.687 1.475 19511 4942 1 16 . 1 1 11 11 ARG H H 11 8.508 8.508 8.491 0.017 19511 4943 1 16 . 1 1 12 12 THR N N 12 126.287 126.287 116.642 9.645 19511 4944 1 16 . 1 1 12 12 THR HA H 12 3.790 3.790 4.256 -0.466 19511 4945 1 16 . 1 1 12 12 THR CA C 12 62.948 62.948 61.721 1.227 19511 4946 1 16 . 1 1 12 12 THR CB C 12 66.854 66.854 69.830 -2.976 19511 4947 1 16 . 1 1 12 12 THR H H 12 8.068 8.068 7.842 0.226 19511 4948 1 16 . 1 1 13 13 ALA N N 13 129.745 129.745 124.413 5.332 19511 4949 1 16 . 1 1 13 13 ALA HA H 13 4.664 4.664 4.407 0.257 19511 4950 1 16 . 1 1 13 13 ALA CA C 13 47.602 47.602 52.162 -4.560 19511 4951 1 16 . 1 1 13 13 ALA CB C 13 16.412 16.412 18.995 -2.583 19511 4952 1 16 . 1 1 13 13 ALA H H 13 8.317 8.317 8.148 0.169 19511 4953 1 16 . 1 1 14 14 PHE N N 14 124.589 124.589 119.023 5.566 19511 4954 1 16 . 1 1 14 14 PHE HA H 14 4.708 4.708 5.077 -0.369 19511 4955 1 16 . 1 1 14 14 PHE CA C 14 56.288 56.288 56.179 0.109 19511 4956 1 16 . 1 1 14 14 PHE CB C 14 38.229 38.229 40.205 -1.976 19511 4957 1 16 . 1 1 14 14 PHE H H 14 8.594 8.594 7.620 0.974 19511 4958 1 16 . 1 1 15 15 THR N N 15 113.746 113.746 112.344 1.402 19511 4959 1 16 . 1 1 15 15 THR HA H 15 4.575 4.575 4.660 -0.085 19511 4960 1 16 . 1 1 15 15 THR CA C 15 58.027 58.027 60.332 -2.305 19511 4961 1 16 . 1 1 15 15 THR CB C 15 68.256 68.256 70.039 -1.783 19511 4962 1 16 . 1 1 15 15 THR H H 15 9.053 9.053 8.890 0.163 19511 4963 1 16 . 1 1 16 16 SER N N 16 116.624 116.624 115.162 1.462 19511 4964 1 16 . 1 1 16 16 SER HA H 16 4.713 4.713 4.405 0.308 19511 4965 1 16 . 1 1 16 16 SER CA C 16 59.750 59.750 60.627 -0.877 19511 4966 1 16 . 1 1 16 16 SER CB C 16 59.639 59.639 63.091 -3.452 19511 4967 1 16 . 1 1 16 16 SER H H 16 9.092 9.092 8.577 0.515 19511 4968 1 16 . 1 1 17 17 GLU N N 17 120.287 120.287 120.194 0.093 19511 4969 1 16 . 1 1 17 17 GLU HA H 17 4.081 4.081 4.178 -0.097 19511 4970 1 16 . 1 1 17 17 GLU CA C 17 57.565 57.565 58.541 -0.976 19511 4971 1 16 . 1 1 17 17 GLU CB C 17 26.998 26.998 29.479 -2.481 19511 4972 1 16 . 1 1 17 17 GLU H H 17 8.560 8.560 8.735 -0.175 19511 4973 1 16 . 1 1 18 18 GLN N N 18 118.169 118.169 115.515 2.654 19511 4974 1 16 . 1 1 18 18 GLN HA H 18 3.898 3.898 4.334 -0.436 19511 4975 1 16 . 1 1 18 18 GLN CA C 18 56.609 56.609 56.426 0.183 19511 4976 1 16 . 1 1 18 18 GLN CB C 18 32.647 32.647 29.597 3.050 19511 4977 1 16 . 1 1 18 18 GLN H H 18 7.769 7.769 7.727 0.042 19511 4978 1 16 . 1 1 19 19 LEU N N 19 116.929 116.929 122.010 -5.081 19511 4979 1 16 . 1 1 19 19 LEU HA H 19 3.655 3.655 3.944 -0.289 19511 4980 1 16 . 1 1 19 19 LEU CA C 19 55.390 55.390 56.227 -0.837 19511 4981 1 16 . 1 1 19 19 LEU CB C 19 39.414 39.414 41.478 -2.064 19511 4982 1 16 . 1 1 19 19 LEU H H 19 8.227 8.227 7.369 0.858 19511 4983 1 16 . 1 1 20 20 LEU N N 20 118.864 118.864 119.683 -0.819 19511 4984 1 16 . 1 1 20 20 LEU HA H 20 4.034 4.034 3.891 0.143 19511 4985 1 16 . 1 1 20 20 LEU CA C 20 55.765 55.765 58.585 -2.820 19511 4986 1 16 . 1 1 20 20 LEU CB C 20 39.758 39.758 41.585 -1.827 19511 4987 1 16 . 1 1 20 20 LEU H H 20 8.037 8.037 7.838 0.199 19511 4988 1 16 . 1 1 21 21 GLU N N 21 118.147 118.147 118.476 -0.329 19511 4989 1 16 . 1 1 21 21 GLU HA H 21 4.159 4.159 4.024 0.135 19511 4990 1 16 . 1 1 21 21 GLU CA C 21 56.062 56.062 58.500 -2.438 19511 4991 1 16 . 1 1 21 21 GLU CB C 21 27.576 27.576 28.671 -1.095 19511 4992 1 16 . 1 1 21 21 GLU H H 21 7.491 7.491 8.325 -0.834 19511 4993 1 16 . 1 1 22 22 LEU N N 22 122.316 122.316 121.045 1.271 19511 4994 1 16 . 1 1 22 22 LEU HA H 22 3.534 3.534 3.782 -0.248 19511 4995 1 16 . 1 1 22 22 LEU CA C 22 56.091 56.091 58.161 -2.070 19511 4996 1 16 . 1 1 22 22 LEU CB C 22 35.557 35.557 41.557 -6.000 19511 4997 1 16 . 1 1 22 22 LEU H H 22 8.254 8.254 8.071 0.183 19511 4998 1 16 . 1 1 23 23 GLU N N 23 117.645 117.645 117.325 0.320 19511 4999 1 16 . 1 1 23 23 GLU HA H 23 4.319 4.319 4.329 -0.010 19511 5000 1 16 . 1 1 23 23 GLU CA C 23 56.627 56.627 58.999 -2.372 19511 5001 1 16 . 1 1 23 23 GLU CB C 23 26.800 26.800 29.498 -2.699 19511 5002 1 16 . 1 1 23 23 GLU H H 23 8.084 8.084 7.809 0.275 19511 5003 1 16 . 1 1 24 24 LYS N N 24 120.989 120.989 121.053 -0.064 19511 5004 1 16 . 1 1 24 24 LYS HA H 24 4.088 4.088 4.014 0.074 19511 5005 1 16 . 1 1 24 24 LYS CA C 24 57.392 57.392 59.788 -2.396 19511 5006 1 16 . 1 1 24 24 LYS H H 24 7.884 7.884 7.459 0.425 19511 5007 1 16 . 1 1 25 25 GLU N N 25 119.686 119.686 119.069 0.617 19511 5008 1 16 . 1 1 25 25 GLU HA H 25 4.325 4.325 4.160 0.165 19511 5009 1 16 . 1 1 25 25 GLU CA C 25 56.529 56.529 59.196 -2.667 19511 5010 1 16 . 1 1 25 25 GLU CB C 25 26.344 26.344 29.645 -3.301 19511 5011 1 16 . 1 1 25 25 GLU H H 25 8.179 8.179 8.110 0.069 19511 5012 1 16 . 1 1 26 26 PHE N N 26 121.229 121.229 118.678 2.551 19511 5013 1 16 . 1 1 26 26 PHE HA H 26 4.769 4.769 4.883 -0.114 19511 5014 1 16 . 1 1 26 26 PHE CA C 26 57.746 57.746 59.547 -1.801 19511 5015 1 16 . 1 1 26 26 PHE CB C 26 41.554 41.554 39.480 2.075 19511 5016 1 16 . 1 1 26 26 PHE H H 26 8.896 8.896 8.165 0.731 19511 5017 1 16 . 1 1 27 27 HIS N N 27 115.789 115.789 119.705 -3.916 19511 5018 1 16 . 1 1 27 27 HIS HA H 27 4.069 4.069 4.379 -0.310 19511 5019 1 16 . 1 1 27 27 HIS CA C 27 56.598 56.598 59.083 -2.485 19511 5020 1 16 . 1 1 27 27 HIS CB C 27 27.235 27.235 29.914 -2.679 19511 5021 1 16 . 1 1 27 27 HIS H H 27 8.110 8.110 7.874 0.236 19511 5022 1 16 . 1 1 28 28 CYS N N 28 115.311 115.311 116.918 -1.607 19511 5023 1 16 . 1 1 28 28 CYS HA H 28 4.553 4.553 4.055 0.498 19511 5024 1 16 . 1 1 28 28 CYS CA C 28 54.270 54.270 60.487 -6.217 19511 5025 1 16 . 1 1 28 28 CYS CB C 28 39.551 39.551 28.982 10.569 19511 5026 1 16 . 1 1 28 28 CYS H H 28 7.470 7.470 7.812 -0.342 19511 5027 1 16 . 1 1 29 29 LYS N N 29 122.013 122.013 119.318 2.695 19511 5028 1 16 . 1 1 29 29 LYS HA H 29 4.412 4.412 4.116 0.296 19511 5029 1 16 . 1 1 29 29 LYS CA C 29 53.840 53.840 54.526 -0.686 19511 5030 1 16 . 1 1 29 29 LYS CB C 29 32.448 32.448 31.821 0.627 19511 5031 1 16 . 1 1 29 29 LYS H H 29 8.648 8.648 8.115 0.533 19511 5032 1 16 . 1 1 30 30 LYS N N 30 117.519 117.519 126.748 -9.229 19511 5033 1 16 . 1 1 30 30 LYS HA H 30 3.837 3.837 3.371 0.466 19511 5034 1 16 . 1 1 30 30 LYS CA C 30 53.748 53.748 55.166 -1.418 19511 5035 1 16 . 1 1 30 30 LYS CB C 30 30.195 30.195 30.599 -0.404 19511 5036 1 16 . 1 1 30 30 LYS H H 30 7.887 7.887 8.469 -0.582 19511 5037 1 16 . 1 1 31 31 TYR N N 31 112.770 112.770 114.555 -1.785 19511 5038 1 16 . 1 1 31 31 TYR HA H 31 4.591 4.591 4.661 -0.070 19511 5039 1 16 . 1 1 31 31 TYR CA C 31 53.415 53.415 56.610 -3.195 19511 5040 1 16 . 1 1 31 31 TYR CB C 31 39.905 39.905 39.373 0.532 19511 5041 1 16 . 1 1 31 31 TYR H H 31 7.368 7.368 7.423 -0.055 19511 5042 1 16 . 1 1 32 32 LEU N N 32 120.286 120.286 125.108 -4.822 19511 5043 1 16 . 1 1 32 32 LEU HA H 32 4.766 4.766 4.767 -0.001 19511 5044 1 16 . 1 1 32 32 LEU CA C 32 50.290 50.290 53.825 -3.535 19511 5045 1 16 . 1 1 32 32 LEU CB C 32 42.846 42.846 42.783 0.063 19511 5046 1 16 . 1 1 32 32 LEU H H 32 8.442 8.442 8.379 0.063 19511 5047 1 16 . 1 1 33 33 SER N N 33 120.490 120.490 118.371 2.119 19511 5048 1 16 . 1 1 33 33 SER HA H 33 4.045 4.045 4.446 -0.401 19511 5049 1 16 . 1 1 33 33 SER CA C 33 54.957 54.957 57.999 -3.042 19511 5050 1 16 . 1 1 33 33 SER CB C 33 63.875 63.875 64.074 -0.199 19511 5051 1 16 . 1 1 33 33 SER H H 33 9.439 9.439 8.644 0.795 19511 5052 1 16 . 1 1 34 34 LEU N N 34 121.725 121.725 123.836 -2.111 19511 5053 1 16 . 1 1 34 34 LEU HA H 34 4.059 4.059 4.068 -0.009 19511 5054 1 16 . 1 1 34 34 LEU CA C 34 56.683 56.683 58.661 -1.978 19511 5055 1 16 . 1 1 34 34 LEU CB C 34 38.920 38.920 40.663 -1.743 19511 5056 1 16 . 1 1 34 34 LEU H H 34 8.886 8.886 8.695 0.191 19511 5057 1 16 . 1 1 35 35 THR N N 35 113.779 113.779 112.890 0.889 19511 5058 1 16 . 1 1 35 35 THR HA H 35 4.047 4.047 4.035 0.012 19511 5059 1 16 . 1 1 35 35 THR CA C 35 63.322 63.322 65.756 -2.434 19511 5060 1 16 . 1 1 35 35 THR CB C 35 65.973 65.973 68.606 -2.633 19511 5061 1 16 . 1 1 35 35 THR H H 35 8.142 8.142 8.226 -0.084 19511 5062 1 16 . 1 1 36 36 GLU N N 36 122.728 122.728 121.716 1.012 19511 5063 1 16 . 1 1 36 36 GLU HA H 36 4.036 4.036 4.401 -0.365 19511 5064 1 16 . 1 1 36 36 GLU CA C 36 56.454 56.454 58.824 -2.370 19511 5065 1 16 . 1 1 36 36 GLU CB C 36 27.949 27.949 29.366 -1.417 19511 5066 1 16 . 1 1 36 36 GLU H H 36 7.658 7.658 7.893 -0.235 19511 5067 1 16 . 1 1 37 37 ARG N N 37 118.862 118.862 120.002 -1.140 19511 5068 1 16 . 1 1 37 37 ARG HA H 37 3.842 3.842 4.273 -0.431 19511 5069 1 16 . 1 1 37 37 ARG CA C 37 57.537 57.537 58.972 -1.435 19511 5070 1 16 . 1 1 37 37 ARG CB C 37 28.496 28.496 30.371 -1.875 19511 5071 1 16 . 1 1 37 37 ARG H H 37 8.762 8.762 8.531 0.231 19511 5072 1 16 . 1 1 38 38 SER N N 38 113.126 113.126 113.354 -0.228 19511 5073 1 16 . 1 1 38 38 SER HA H 38 4.039 4.039 4.441 -0.402 19511 5074 1 16 . 1 1 38 38 SER CA C 38 60.349 60.349 59.979 0.370 19511 5075 1 16 . 1 1 38 38 SER CB C 38 65.383 65.383 63.162 2.221 19511 5076 1 16 . 1 1 38 38 SER H H 38 7.989 7.989 7.650 0.339 19511 5077 1 16 . 1 1 39 39 GLN N N 39 121.461 121.461 122.448 -0.987 19511 5078 1 16 . 1 1 39 39 GLN HA H 39 4.176 4.176 4.024 0.152 19511 5079 1 16 . 1 1 39 39 GLN CA C 39 56.766 56.766 59.178 -2.412 19511 5080 1 16 . 1 1 39 39 GLN CB C 39 25.985 25.985 28.768 -2.783 19511 5081 1 16 . 1 1 39 39 GLN H H 39 8.017 8.017 7.927 0.090 19511 5082 1 16 . 1 1 40 40 ILE N N 40 121.303 121.303 119.854 1.449 19511 5083 1 16 . 1 1 40 40 ILE HA H 40 3.943 3.943 3.741 0.202 19511 5084 1 16 . 1 1 40 40 ILE CA C 40 62.170 62.170 64.653 -2.484 19511 5085 1 16 . 1 1 40 40 ILE CB C 40 35.984 35.984 37.590 -1.606 19511 5086 1 16 . 1 1 40 40 ILE H H 40 8.290 8.290 7.831 0.459 19511 5087 1 16 . 1 1 41 41 ALA N N 41 121.610 121.610 119.093 2.517 19511 5088 1 16 . 1 1 41 41 ALA HA H 41 3.757 3.757 3.990 -0.233 19511 5089 1 16 . 1 1 41 41 ALA CA C 41 53.812 53.812 54.097 -0.285 19511 5090 1 16 . 1 1 41 41 ALA CB C 41 15.288 15.288 18.294 -3.006 19511 5091 1 16 . 1 1 41 41 ALA H H 41 8.201 8.201 8.069 0.132 19511 5092 1 16 . 1 1 42 42 HIS N N 42 114.498 114.498 114.072 0.426 19511 5093 1 16 . 1 1 42 42 HIS HA H 42 3.751 3.751 4.610 -0.859 19511 5094 1 16 . 1 1 42 42 HIS CA C 42 53.713 53.713 54.928 -1.215 19511 5095 1 16 . 1 1 42 42 HIS CB C 42 25.282 25.282 31.198 -5.916 19511 5096 1 16 . 1 1 42 42 HIS H H 42 8.136 8.136 7.640 0.496 19511 5097 1 16 . 1 1 43 43 ALA N N 43 121.763 121.763 122.436 -0.673 19511 5098 1 16 . 1 1 43 43 ALA HA H 43 4.118 4.118 4.303 -0.185 19511 5099 1 16 . 1 1 43 43 ALA CA C 43 52.521 52.521 54.064 -1.543 19511 5100 1 16 . 1 1 43 43 ALA CB C 43 16.046 16.046 20.134 -4.088 19511 5101 1 16 . 1 1 43 43 ALA H H 43 8.181 8.181 8.225 -0.044 19511 5102 1 16 . 1 1 44 44 LEU N N 44 114.063 114.063 119.233 -5.170 19511 5103 1 16 . 1 1 44 44 LEU HA H 44 4.416 4.416 4.159 0.257 19511 5104 1 16 . 1 1 44 44 LEU CA C 44 51.814 51.814 56.311 -4.497 19511 5105 1 16 . 1 1 44 44 LEU CB C 44 40.181 40.181 42.706 -2.525 19511 5106 1 16 . 1 1 44 44 LEU H H 44 8.016 8.016 7.726 0.290 19511 5107 1 16 . 1 1 45 45 LYS N N 45 116.933 116.933 114.648 2.285 19511 5108 1 16 . 1 1 45 45 LYS HA H 45 4.026 4.026 4.439 -0.413 19511 5109 1 16 . 1 1 45 45 LYS CA C 45 54.887 54.887 56.207 -1.320 19511 5110 1 16 . 1 1 45 45 LYS CB C 45 26.031 26.031 33.890 -7.859 19511 5111 1 16 . 1 1 45 45 LYS H H 45 7.867 7.867 8.233 -0.366 19511 5112 1 16 . 1 1 46 46 LEU N N 46 119.776 119.776 121.286 -1.510 19511 5113 1 16 . 1 1 46 46 LEU HA H 46 4.937 4.937 4.495 0.442 19511 5114 1 16 . 1 1 46 46 LEU CA C 46 49.983 49.983 54.603 -4.620 19511 5115 1 16 . 1 1 46 46 LEU CB C 46 45.389 45.389 42.514 2.875 19511 5116 1 16 . 1 1 46 46 LEU H H 46 8.517 8.517 7.942 0.575 19511 5117 1 16 . 1 1 47 47 SER N N 47 114.945 114.945 117.304 -2.359 19511 5118 1 16 . 1 1 47 47 SER HA H 47 4.856 4.856 4.505 0.351 19511 5119 1 16 . 1 1 47 47 SER CA C 47 54.112 54.112 57.850 -3.738 19511 5120 1 16 . 1 1 47 47 SER CB C 47 62.635 62.635 64.156 -1.521 19511 5121 1 16 . 1 1 47 47 SER H H 47 9.225 9.225 8.435 0.790 19511 5122 1 16 . 1 1 48 48 GLU N N 48 122.216 122.216 126.794 -4.578 19511 5123 1 16 . 1 1 48 48 GLU HA H 48 3.778 3.778 3.953 -0.175 19511 5124 1 16 . 1 1 48 48 GLU CA C 48 58.893 58.893 60.524 -1.631 19511 5125 1 16 . 1 1 48 48 GLU CB C 48 27.002 27.002 29.344 -2.342 19511 5126 1 16 . 1 1 48 48 GLU H H 48 9.278 9.278 9.026 0.252 19511 5127 1 16 . 1 1 49 49 VAL N N 49 118.235 118.235 119.520 -1.285 19511 5128 1 16 . 1 1 49 49 VAL HA H 49 3.854 3.854 3.777 0.077 19511 5129 1 16 . 1 1 49 49 VAL CA C 49 63.808 63.808 66.344 -2.536 19511 5130 1 16 . 1 1 49 49 VAL CB C 49 29.556 29.556 30.928 -1.372 19511 5131 1 16 . 1 1 49 49 VAL H H 49 7.993 7.993 8.250 -0.257 19511 5132 1 16 . 1 1 50 50 GLN N N 50 119.879 119.879 118.365 1.514 19511 5133 1 16 . 1 1 50 50 GLN HA H 50 4.296 4.296 4.084 0.212 19511 5134 1 16 . 1 1 50 50 GLN CA C 50 57.495 57.495 58.306 -0.811 19511 5135 1 16 . 1 1 50 50 GLN CB C 50 27.381 27.381 28.280 -0.899 19511 5136 1 16 . 1 1 50 50 GLN H H 50 7.705 7.705 7.692 0.013 19511 5137 1 16 . 1 1 51 51 VAL N N 51 117.905 117.905 120.459 -2.554 19511 5138 1 16 . 1 1 51 51 VAL HA H 51 3.818 3.818 3.683 0.135 19511 5139 1 16 . 1 1 51 51 VAL CA C 51 64.839 64.839 66.292 -1.453 19511 5140 1 16 . 1 1 51 51 VAL CB C 51 29.968 29.968 31.631 -1.663 19511 5141 1 16 . 1 1 51 51 VAL H H 51 7.629 7.629 7.857 -0.228 19511 5142 1 16 . 1 1 52 52 LYS N N 52 120.669 120.669 119.839 0.830 19511 5143 1 16 . 1 1 52 52 LYS HA H 52 4.168 4.168 4.298 -0.130 19511 5144 1 16 . 1 1 52 52 LYS CA C 52 57.489 57.489 59.896 -2.407 19511 5145 1 16 . 1 1 52 52 LYS CB C 52 30.473 30.473 32.378 -1.905 19511 5146 1 16 . 1 1 52 52 LYS H H 52 8.802 8.802 8.065 0.737 19511 5147 1 16 . 1 1 53 53 ILE N N 53 120.041 120.041 117.536 2.505 19511 5148 1 16 . 1 1 53 53 ILE HA H 53 3.710 3.710 3.907 -0.197 19511 5149 1 16 . 1 1 53 53 ILE CA C 53 61.549 61.549 63.636 -2.087 19511 5150 1 16 . 1 1 53 53 ILE CB C 53 35.022 35.022 37.806 -2.784 19511 5151 1 16 . 1 1 53 53 ILE H H 53 8.711 8.711 7.462 1.249 19511 5152 1 16 . 1 1 54 54 TRP N N 54 123.292 123.292 122.324 0.968 19511 5153 1 16 . 1 1 54 54 TRP HA H 54 4.731 4.731 4.329 0.402 19511 5154 1 16 . 1 1 54 54 TRP CA C 54 60.105 60.105 61.961 -1.856 19511 5155 1 16 . 1 1 54 54 TRP CB C 54 26.108 26.108 28.896 -2.788 19511 5156 1 16 . 1 1 54 54 TRP H H 54 8.467 8.467 7.815 0.652 19511 5157 1 16 . 1 1 55 55 PHE N N 55 118.279 118.279 114.807 3.472 19511 5158 1 16 . 1 1 55 55 PHE HA H 55 3.801 3.801 4.071 -0.270 19511 5159 1 16 . 1 1 55 55 PHE CA C 55 61.097 61.097 61.126 -0.029 19511 5160 1 16 . 1 1 55 55 PHE CB C 55 36.812 36.812 38.495 -1.683 19511 5161 1 16 . 1 1 55 55 PHE H H 55 8.923 8.923 7.167 1.756 19511 5162 1 16 . 1 1 56 56 GLN N N 56 117.830 117.830 117.739 0.091 19511 5163 1 16 . 1 1 56 56 GLN HA H 56 4.036 4.036 4.174 -0.138 19511 5164 1 16 . 1 1 56 56 GLN CA C 56 57.329 57.329 57.960 -0.631 19511 5165 1 16 . 1 1 56 56 GLN CB C 56 25.312 25.312 29.050 -3.738 19511 5166 1 16 . 1 1 56 56 GLN H H 56 7.994 7.994 7.895 0.099 19511 5167 1 16 . 1 1 57 57 ASN N N 57 119.840 119.840 115.881 3.959 19511 5168 1 16 . 1 1 57 57 ASN HA H 57 4.632 4.632 4.771 -0.139 19511 5169 1 16 . 1 1 57 57 ASN CA C 57 55.637 55.637 53.345 2.292 19511 5170 1 16 . 1 1 57 57 ASN CB C 57 35.824 35.824 39.130 -3.306 19511 5171 1 16 . 1 1 57 57 ASN H H 57 8.715 8.715 7.814 0.901 19511 5172 1 16 . 1 1 58 58 ARG N N 58 125.366 125.366 119.873 5.493 19511 5173 1 16 . 1 1 58 58 ARG HA H 58 3.656 3.656 4.096 -0.440 19511 5174 1 16 . 1 1 58 58 ARG CA C 58 53.865 53.865 55.845 -1.980 19511 5175 1 16 . 1 1 58 58 ARG CB C 58 25.436 25.436 29.586 -4.150 19511 5176 1 16 . 1 1 58 58 ARG H H 58 8.806 8.806 7.911 0.895 19511 5177 1 16 . 1 1 59 59 ARG N N 59 120.172 120.172 117.313 2.859 19511 5178 1 16 . 1 1 59 59 ARG CB C 59 29.582 29.582 30.887 -1.305 19511 5179 1 16 . 1 1 59 59 ARG H H 59 8.345 8.345 8.180 0.165 19511 5180 1 16 . 1 1 60 60 ALA N N 60 122.418 122.418 121.480 0.938 19511 5181 1 16 . 1 1 60 60 ALA HA H 60 4.420 4.420 4.301 0.119 19511 5182 1 16 . 1 1 60 60 ALA CA C 60 53.005 53.005 53.231 -0.226 19511 5183 1 16 . 1 1 60 60 ALA CB C 60 15.567 15.567 18.566 -2.999 19511 5184 1 16 . 1 1 60 60 ALA H H 60 7.587 7.587 7.995 -0.408 19511 5185 1 16 . 1 1 61 61 LYS N N 61 119.912 119.912 119.065 0.847 19511 5186 1 16 . 1 1 61 61 LYS HA H 61 4.003 4.003 3.847 0.156 19511 5187 1 16 . 1 1 61 61 LYS CA C 61 57.164 57.164 59.320 -2.156 19511 5188 1 16 . 1 1 61 61 LYS CB C 61 30.390 30.390 31.855 -1.465 19511 5189 1 16 . 1 1 61 61 LYS H H 61 7.856 7.856 8.046 -0.190 19511 5190 1 16 . 1 1 62 62 TRP N N 62 119.782 119.782 117.255 2.527 19511 5191 1 16 . 1 1 62 62 TRP HA H 62 4.535 4.535 4.439 0.096 19511 5192 1 16 . 1 1 62 62 TRP CA C 62 57.359 57.359 59.770 -2.411 19511 5193 1 16 . 1 1 62 62 TRP CB C 62 27.020 27.020 28.763 -1.743 19511 5194 1 16 . 1 1 62 62 TRP H H 62 8.265 8.265 7.404 0.861 19511 5195 1 16 . 1 1 63 63 LYS N N 63 117.139 117.139 119.365 -2.226 19511 5196 1 16 . 1 1 63 63 LYS HA H 63 3.713 3.713 3.981 -0.268 19511 5197 1 16 . 1 1 63 63 LYS CA C 63 56.518 56.518 59.808 -3.290 19511 5198 1 16 . 1 1 63 63 LYS CB C 63 30.224 30.224 31.953 -1.730 19511 5199 1 16 . 1 1 63 63 LYS H H 63 8.262 8.262 8.074 0.188 19511 5200 1 16 . 1 1 64 64 ARG N N 64 118.868 118.868 118.632 0.236 19511 5201 1 16 . 1 1 64 64 ARG HA H 64 4.192 4.192 3.996 0.196 19511 5202 1 16 . 1 1 64 64 ARG CA C 64 56.249 56.249 58.967 -2.718 19511 5203 1 16 . 1 1 64 64 ARG CB C 64 28.227 28.227 29.953 -1.726 19511 5204 1 16 . 1 1 64 64 ARG H H 64 7.737 7.737 8.278 -0.541 19511 5205 1 16 . 1 1 65 65 ILE N N 65 119.744 119.744 116.507 3.237 19511 5206 1 16 . 1 1 65 65 ILE HA H 65 4.012 4.012 3.901 0.111 19511 5207 1 16 . 1 1 65 65 ILE CA C 65 60.187 60.187 63.921 -3.734 19511 5208 1 16 . 1 1 65 65 ILE CB C 65 35.588 35.588 38.276 -2.688 19511 5209 1 16 . 1 1 65 65 ILE H H 65 8.010 8.010 7.338 0.672 19511 5210 1 16 . 1 1 66 66 LYS N N 66 122.316 122.316 119.005 3.311 19511 5211 1 16 . 1 1 66 66 LYS HA H 66 4.106 4.106 4.203 -0.097 19511 5212 1 16 . 1 1 66 66 LYS CA C 66 54.657 54.657 57.645 -2.988 19511 5213 1 16 . 1 1 66 66 LYS CB C 66 29.634 29.634 33.211 -3.577 19511 5214 1 16 . 1 1 66 66 LYS H H 66 8.055 8.055 7.549 0.506 19511 5215 1 16 . 1 1 67 67 ALA N N 67 122.520 122.520 121.723 0.797 19511 5216 1 16 . 1 1 67 67 ALA HA H 67 4.291 4.291 4.549 -0.258 19511 5217 1 16 . 1 1 67 67 ALA CA C 67 50.463 50.463 51.552 -1.089 19511 5218 1 16 . 1 1 67 67 ALA CB C 67 16.535 16.535 20.162 -3.627 19511 5219 1 16 . 1 1 67 67 ALA H H 67 7.846 7.846 7.983 -0.137 19511 5220 1 16 . 1 1 68 68 GLY N N 68 106.371 106.371 108.120 -1.749 19511 5221 1 16 . 1 1 68 68 GLY CA C 68 42.991 42.991 45.061 -2.070 19511 5222 1 16 . 1 1 68 68 GLY H H 68 8.053 8.053 8.332 -0.279 19511 5223 1 16 . 1 1 69 69 ASN N N 69 118.766 118.766 120.250 -1.484 19511 5224 1 16 . 1 1 69 69 ASN HA H 69 4.832 4.832 4.731 0.101 19511 5225 1 16 . 1 1 69 69 ASN CA C 69 50.749 50.749 52.828 -2.079 19511 5226 1 16 . 1 1 69 69 ASN CB C 69 36.737 36.737 39.008 -2.272 19511 5227 1 16 . 1 1 69 69 ASN H H 69 8.166 8.166 8.358 -0.192 19511 5228 1 16 . 1 1 70 70 VAL N N 70 119.471 119.471 121.815 -2.344 19511 5229 1 16 . 1 1 70 70 VAL HA H 70 4.265 4.265 3.981 0.284 19511 5230 1 16 . 1 1 70 70 VAL CA C 70 59.765 59.765 63.417 -3.652 19511 5231 1 16 . 1 1 70 70 VAL CB C 70 30.482 30.482 32.558 -2.076 19511 5232 1 16 . 1 1 70 70 VAL H H 70 8.087 8.087 8.375 -0.288 19511 5233 1 17 . 1 1 3 3 PRO HA H 3 4.499 4.499 4.580 -0.081 19511 5234 1 17 . 1 1 3 3 PRO CA C 3 61.077 61.077 62.757 -1.680 19511 5235 1 17 . 1 1 3 3 PRO CB C 3 29.635 29.635 32.627 -2.991 19511 5236 1 17 . 1 1 4 4 GLY N N 4 109.482 109.482 105.376 4.106 19511 5237 1 17 . 1 1 4 4 GLY CA C 4 42.963 42.963 44.843 -1.880 19511 5238 1 17 . 1 1 4 4 GLY H H 4 8.521 8.521 8.993 -0.472 19511 5239 1 17 . 1 1 5 5 GLY N N 5 108.605 108.605 108.330 0.275 19511 5240 1 17 . 1 1 5 5 GLY CA C 5 42.869 42.869 44.463 -1.594 19511 5241 1 17 . 1 1 5 5 GLY H H 5 8.245 8.245 8.203 0.042 19511 5242 1 17 . 1 1 6 6 LYS N N 6 120.900 120.900 121.170 -0.270 19511 5243 1 17 . 1 1 6 6 LYS HA H 6 4.454 4.454 4.675 -0.221 19511 5244 1 17 . 1 1 6 6 LYS CA C 6 53.594 53.594 55.616 -2.022 19511 5245 1 17 . 1 1 6 6 LYS CB C 6 31.034 31.034 34.080 -3.046 19511 5246 1 17 . 1 1 6 6 LYS H H 6 8.201 8.201 8.293 -0.092 19511 5247 1 17 . 1 1 7 7 SER N N 7 118.055 118.055 118.127 -0.072 19511 5248 1 17 . 1 1 7 7 SER HA H 7 4.533 4.533 4.861 -0.328 19511 5249 1 17 . 1 1 7 7 SER CA C 7 55.637 55.637 57.727 -2.090 19511 5250 1 17 . 1 1 7 7 SER CB C 7 61.343 61.343 66.197 -4.854 19511 5251 1 17 . 1 1 7 7 SER H H 7 8.425 8.425 8.352 0.073 19511 5252 1 17 . 1 1 8 8 ARG HA H 8 4.547 4.547 4.488 0.059 19511 5253 1 17 . 1 1 8 8 ARG CA C 8 53.146 53.146 55.679 -2.534 19511 5254 1 17 . 1 1 8 8 ARG CB C 8 29.317 29.317 31.306 -1.989 19511 5255 1 17 . 1 1 9 9 ARG N N 9 124.954 124.954 120.277 4.677 19511 5256 1 17 . 1 1 9 9 ARG HA H 9 4.321 4.321 4.288 0.033 19511 5257 1 17 . 1 1 9 9 ARG CA C 9 54.049 54.049 55.721 -1.672 19511 5258 1 17 . 1 1 9 9 ARG CB C 9 28.705 28.705 30.194 -1.489 19511 5259 1 17 . 1 1 9 9 ARG H H 9 9.037 9.037 8.069 0.968 19511 5260 1 17 . 1 1 10 10 ARG N N 10 122.493 122.493 125.991 -3.498 19511 5261 1 17 . 1 1 10 10 ARG HA H 10 4.322 4.322 4.131 0.191 19511 5262 1 17 . 1 1 10 10 ARG CA C 10 53.971 53.971 56.962 -2.991 19511 5263 1 17 . 1 1 10 10 ARG CB C 10 28.386 28.386 29.451 -1.065 19511 5264 1 17 . 1 1 10 10 ARG H H 10 8.350 8.350 8.662 -0.312 19511 5265 1 17 . 1 1 11 11 ARG N N 11 123.361 123.361 124.923 -1.562 19511 5266 1 17 . 1 1 11 11 ARG HA H 11 4.312 4.312 4.531 -0.219 19511 5267 1 17 . 1 1 11 11 ARG CA C 11 53.146 53.146 55.047 -1.901 19511 5268 1 17 . 1 1 11 11 ARG CB C 11 30.162 30.162 31.316 -1.154 19511 5269 1 17 . 1 1 11 11 ARG H H 11 8.508 8.508 7.869 0.639 19511 5270 1 17 . 1 1 12 12 THR N N 12 126.287 126.287 116.092 10.195 19511 5271 1 17 . 1 1 12 12 THR HA H 12 3.790 3.790 3.887 -0.097 19511 5272 1 17 . 1 1 12 12 THR CA C 12 62.948 62.948 63.340 -0.392 19511 5273 1 17 . 1 1 12 12 THR CB C 12 66.854 66.854 69.077 -2.223 19511 5274 1 17 . 1 1 12 12 THR H H 12 8.068 8.068 7.889 0.179 19511 5275 1 17 . 1 1 13 13 ALA N N 13 129.745 129.745 128.771 0.974 19511 5276 1 17 . 1 1 13 13 ALA HA H 13 4.664 4.664 4.387 0.277 19511 5277 1 17 . 1 1 13 13 ALA CA C 13 47.602 47.602 51.504 -3.902 19511 5278 1 17 . 1 1 13 13 ALA CB C 13 16.412 16.412 19.909 -3.497 19511 5279 1 17 . 1 1 13 13 ALA H H 13 8.317 8.317 7.864 0.453 19511 5280 1 17 . 1 1 14 14 PHE N N 14 124.589 124.589 120.232 4.357 19511 5281 1 17 . 1 1 14 14 PHE HA H 14 4.708 4.708 5.299 -0.591 19511 5282 1 17 . 1 1 14 14 PHE CA C 14 56.288 56.288 55.046 1.242 19511 5283 1 17 . 1 1 14 14 PHE CB C 14 38.229 38.229 40.515 -2.286 19511 5284 1 17 . 1 1 14 14 PHE H H 14 8.594 8.594 7.913 0.681 19511 5285 1 17 . 1 1 15 15 THR N N 15 113.746 113.746 112.226 1.520 19511 5286 1 17 . 1 1 15 15 THR HA H 15 4.575 4.575 4.558 0.017 19511 5287 1 17 . 1 1 15 15 THR CA C 15 58.027 58.027 60.038 -2.011 19511 5288 1 17 . 1 1 15 15 THR CB C 15 68.256 68.256 71.808 -3.552 19511 5289 1 17 . 1 1 15 15 THR H H 15 9.053 9.053 8.300 0.753 19511 5290 1 17 . 1 1 16 16 SER N N 16 116.624 116.624 115.839 0.785 19511 5291 1 17 . 1 1 16 16 SER HA H 16 4.713 4.713 4.232 0.481 19511 5292 1 17 . 1 1 16 16 SER CA C 16 59.750 59.750 61.096 -1.346 19511 5293 1 17 . 1 1 16 16 SER CB C 16 59.639 59.639 63.160 -3.521 19511 5294 1 17 . 1 1 16 16 SER H H 16 9.092 9.092 8.765 0.327 19511 5295 1 17 . 1 1 17 17 GLU N N 17 120.287 120.287 118.301 1.986 19511 5296 1 17 . 1 1 17 17 GLU HA H 17 4.081 4.081 4.171 -0.090 19511 5297 1 17 . 1 1 17 17 GLU CA C 17 57.565 57.565 58.334 -0.769 19511 5298 1 17 . 1 1 17 17 GLU CB C 17 26.998 26.998 29.820 -2.822 19511 5299 1 17 . 1 1 17 17 GLU H H 17 8.560 8.560 7.735 0.825 19511 5300 1 17 . 1 1 18 18 GLN N N 18 118.169 118.169 117.457 0.712 19511 5301 1 17 . 1 1 18 18 GLN HA H 18 3.898 3.898 4.251 -0.353 19511 5302 1 17 . 1 1 18 18 GLN CA C 18 56.609 56.609 57.477 -0.868 19511 5303 1 17 . 1 1 18 18 GLN CB C 18 32.647 32.647 29.706 2.942 19511 5304 1 17 . 1 1 18 18 GLN H H 18 7.769 7.769 7.616 0.153 19511 5305 1 17 . 1 1 19 19 LEU N N 19 116.929 116.929 120.671 -3.742 19511 5306 1 17 . 1 1 19 19 LEU HA H 19 3.655 3.655 3.958 -0.303 19511 5307 1 17 . 1 1 19 19 LEU CA C 19 55.390 55.390 57.426 -2.036 19511 5308 1 17 . 1 1 19 19 LEU CB C 19 39.414 39.414 41.603 -2.189 19511 5309 1 17 . 1 1 19 19 LEU H H 19 8.227 8.227 8.291 -0.064 19511 5310 1 17 . 1 1 20 20 LEU N N 20 118.864 118.864 120.224 -1.360 19511 5311 1 17 . 1 1 20 20 LEU HA H 20 4.034 4.034 3.975 0.059 19511 5312 1 17 . 1 1 20 20 LEU CA C 20 55.765 55.765 58.757 -2.992 19511 5313 1 17 . 1 1 20 20 LEU CB C 20 39.758 39.758 41.589 -1.831 19511 5314 1 17 . 1 1 20 20 LEU H H 20 8.037 8.037 7.885 0.152 19511 5315 1 17 . 1 1 21 21 GLU N N 21 118.147 118.147 117.721 0.426 19511 5316 1 17 . 1 1 21 21 GLU HA H 21 4.159 4.159 4.058 0.101 19511 5317 1 17 . 1 1 21 21 GLU CA C 21 56.062 56.062 58.955 -2.893 19511 5318 1 17 . 1 1 21 21 GLU CB C 21 27.576 27.576 29.144 -1.568 19511 5319 1 17 . 1 1 21 21 GLU H H 21 7.491 7.491 8.085 -0.594 19511 5320 1 17 . 1 1 22 22 LEU N N 22 122.316 122.316 120.505 1.811 19511 5321 1 17 . 1 1 22 22 LEU HA H 22 3.534 3.534 3.971 -0.437 19511 5322 1 17 . 1 1 22 22 LEU CA C 22 56.091 56.091 57.214 -1.123 19511 5323 1 17 . 1 1 22 22 LEU CB C 22 35.557 35.557 41.806 -6.249 19511 5324 1 17 . 1 1 22 22 LEU H H 22 8.254 8.254 7.466 0.788 19511 5325 1 17 . 1 1 23 23 GLU N N 23 117.645 117.645 117.870 -0.225 19511 5326 1 17 . 1 1 23 23 GLU HA H 23 4.319 4.319 4.337 -0.018 19511 5327 1 17 . 1 1 23 23 GLU CA C 23 56.627 56.627 58.940 -2.313 19511 5328 1 17 . 1 1 23 23 GLU CB C 23 26.800 26.800 29.807 -3.007 19511 5329 1 17 . 1 1 23 23 GLU H H 23 8.084 8.084 8.196 -0.112 19511 5330 1 17 . 1 1 24 24 LYS N N 24 120.989 120.989 119.066 1.923 19511 5331 1 17 . 1 1 24 24 LYS HA H 24 4.088 4.088 4.209 -0.121 19511 5332 1 17 . 1 1 24 24 LYS CA C 24 57.392 57.392 59.102 -1.710 19511 5333 1 17 . 1 1 24 24 LYS H H 24 7.884 7.884 7.824 0.060 19511 5334 1 17 . 1 1 25 25 GLU N N 25 119.686 119.686 120.407 -0.721 19511 5335 1 17 . 1 1 25 25 GLU HA H 25 4.325 4.325 4.116 0.209 19511 5336 1 17 . 1 1 25 25 GLU CA C 25 56.529 56.529 59.085 -2.556 19511 5337 1 17 . 1 1 25 25 GLU CB C 25 26.344 26.344 28.744 -2.400 19511 5338 1 17 . 1 1 25 25 GLU H H 25 8.179 8.179 8.234 -0.055 19511 5339 1 17 . 1 1 26 26 PHE N N 26 121.229 121.229 118.181 3.048 19511 5340 1 17 . 1 1 26 26 PHE HA H 26 4.769 4.769 4.879 -0.110 19511 5341 1 17 . 1 1 26 26 PHE CA C 26 57.746 57.746 58.206 -0.460 19511 5342 1 17 . 1 1 26 26 PHE CB C 26 41.554 41.554 39.115 2.439 19511 5343 1 17 . 1 1 26 26 PHE H H 26 8.896 8.896 7.812 1.084 19511 5344 1 17 . 1 1 27 27 HIS N N 27 115.789 115.789 116.273 -0.484 19511 5345 1 17 . 1 1 27 27 HIS HA H 27 4.069 4.069 4.692 -0.623 19511 5346 1 17 . 1 1 27 27 HIS CA C 27 56.598 56.598 56.688 -0.090 19511 5347 1 17 . 1 1 27 27 HIS CB C 27 27.235 27.235 31.512 -4.277 19511 5348 1 17 . 1 1 27 27 HIS H H 27 8.110 8.110 7.801 0.309 19511 5349 1 17 . 1 1 28 28 CYS N N 28 115.311 115.311 117.190 -1.879 19511 5350 1 17 . 1 1 28 28 CYS HA H 28 4.553 4.553 4.619 -0.066 19511 5351 1 17 . 1 1 28 28 CYS CA C 28 54.270 54.270 59.358 -5.088 19511 5352 1 17 . 1 1 28 28 CYS CB C 28 39.551 39.551 30.105 9.446 19511 5353 1 17 . 1 1 28 28 CYS H H 28 7.470 7.470 7.974 -0.504 19511 5354 1 17 . 1 1 29 29 LYS N N 29 122.013 122.013 121.001 1.012 19511 5355 1 17 . 1 1 29 29 LYS HA H 29 4.412 4.412 4.540 -0.128 19511 5356 1 17 . 1 1 29 29 LYS CA C 29 53.840 53.840 54.975 -1.135 19511 5357 1 17 . 1 1 29 29 LYS CB C 29 32.448 32.448 33.561 -1.113 19511 5358 1 17 . 1 1 29 29 LYS H H 29 8.648 8.648 7.461 1.187 19511 5359 1 17 . 1 1 30 30 LYS N N 30 117.519 117.519 122.648 -5.129 19511 5360 1 17 . 1 1 30 30 LYS HA H 30 3.837 3.837 3.860 -0.023 19511 5361 1 17 . 1 1 30 30 LYS CA C 30 53.748 53.748 57.378 -3.630 19511 5362 1 17 . 1 1 30 30 LYS CB C 30 30.195 30.195 32.678 -2.483 19511 5363 1 17 . 1 1 30 30 LYS H H 30 7.887 7.887 8.877 -0.990 19511 5364 1 17 . 1 1 31 31 TYR N N 31 112.770 112.770 113.825 -1.055 19511 5365 1 17 . 1 1 31 31 TYR HA H 31 4.591 4.591 4.749 -0.158 19511 5366 1 17 . 1 1 31 31 TYR CA C 31 53.415 53.415 54.571 -1.156 19511 5367 1 17 . 1 1 31 31 TYR CB C 31 39.905 39.905 38.336 1.569 19511 5368 1 17 . 1 1 31 31 TYR H H 31 7.368 7.368 7.484 -0.116 19511 5369 1 17 . 1 1 32 32 LEU N N 32 120.286 120.286 127.725 -7.439 19511 5370 1 17 . 1 1 32 32 LEU HA H 32 4.766 4.766 4.348 0.418 19511 5371 1 17 . 1 1 32 32 LEU CA C 32 50.290 50.290 55.883 -5.593 19511 5372 1 17 . 1 1 32 32 LEU CB C 32 42.846 42.846 41.941 0.905 19511 5373 1 17 . 1 1 32 32 LEU H H 32 8.442 8.442 8.796 -0.354 19511 5374 1 17 . 1 1 33 33 SER N N 33 120.490 120.490 119.326 1.164 19511 5375 1 17 . 1 1 33 33 SER HA H 33 4.045 4.045 4.648 -0.603 19511 5376 1 17 . 1 1 33 33 SER CA C 33 54.957 54.957 57.289 -2.332 19511 5377 1 17 . 1 1 33 33 SER CB C 33 63.875 63.875 64.211 -0.336 19511 5378 1 17 . 1 1 33 33 SER H H 33 9.439 9.439 8.241 1.198 19511 5379 1 17 . 1 1 34 34 LEU N N 34 121.725 121.725 121.025 0.700 19511 5380 1 17 . 1 1 34 34 LEU HA H 34 4.059 4.059 4.104 -0.045 19511 5381 1 17 . 1 1 34 34 LEU CA C 34 56.683 56.683 56.001 0.682 19511 5382 1 17 . 1 1 34 34 LEU CB C 34 38.920 38.920 39.570 -0.650 19511 5383 1 17 . 1 1 34 34 LEU H H 34 8.886 8.886 8.852 0.034 19511 5384 1 17 . 1 1 35 35 THR N N 35 113.779 113.779 108.548 5.231 19511 5385 1 17 . 1 1 35 35 THR HA H 35 4.047 4.047 3.857 0.190 19511 5386 1 17 . 1 1 35 35 THR CA C 35 63.322 63.322 63.983 -0.662 19511 5387 1 17 . 1 1 35 35 THR CB C 35 65.973 65.973 68.577 -2.604 19511 5388 1 17 . 1 1 35 35 THR H H 35 8.142 8.142 8.329 -0.187 19511 5389 1 17 . 1 1 36 36 GLU N N 36 122.728 122.728 120.329 2.399 19511 5390 1 17 . 1 1 36 36 GLU HA H 36 4.036 4.036 3.975 0.061 19511 5391 1 17 . 1 1 36 36 GLU CA C 36 56.454 56.454 59.516 -3.062 19511 5392 1 17 . 1 1 36 36 GLU CB C 36 27.949 27.949 29.348 -1.399 19511 5393 1 17 . 1 1 36 36 GLU H H 36 7.658 7.658 8.323 -0.665 19511 5394 1 17 . 1 1 37 37 ARG N N 37 118.862 118.862 118.457 0.405 19511 5395 1 17 . 1 1 37 37 ARG HA H 37 3.842 3.842 4.189 -0.347 19511 5396 1 17 . 1 1 37 37 ARG CA C 37 57.537 57.537 57.825 -0.288 19511 5397 1 17 . 1 1 37 37 ARG CB C 37 28.496 28.496 30.377 -1.881 19511 5398 1 17 . 1 1 37 37 ARG H H 37 8.762 8.762 7.656 1.106 19511 5399 1 17 . 1 1 38 38 SER N N 38 113.126 113.126 112.229 0.897 19511 5400 1 17 . 1 1 38 38 SER HA H 38 4.039 4.039 4.688 -0.649 19511 5401 1 17 . 1 1 38 38 SER CA C 38 60.349 60.349 57.807 2.542 19511 5402 1 17 . 1 1 38 38 SER CB C 38 65.383 65.383 64.073 1.310 19511 5403 1 17 . 1 1 38 38 SER H H 38 7.989 7.989 7.789 0.200 19511 5404 1 17 . 1 1 39 39 GLN N N 39 121.461 121.461 122.082 -0.621 19511 5405 1 17 . 1 1 39 39 GLN HA H 39 4.176 4.176 4.170 0.006 19511 5406 1 17 . 1 1 39 39 GLN CA C 39 56.766 56.766 58.883 -2.118 19511 5407 1 17 . 1 1 39 39 GLN CB C 39 25.985 25.985 29.229 -3.244 19511 5408 1 17 . 1 1 39 39 GLN H H 39 8.017 8.017 7.977 0.040 19511 5409 1 17 . 1 1 40 40 ILE N N 40 121.303 121.303 119.749 1.554 19511 5410 1 17 . 1 1 40 40 ILE HA H 40 3.943 3.943 3.640 0.303 19511 5411 1 17 . 1 1 40 40 ILE CA C 40 62.170 62.170 64.641 -2.471 19511 5412 1 17 . 1 1 40 40 ILE CB C 40 35.984 35.984 37.203 -1.219 19511 5413 1 17 . 1 1 40 40 ILE H H 40 8.290 8.290 8.008 0.282 19511 5414 1 17 . 1 1 41 41 ALA N N 41 121.610 121.610 119.867 1.743 19511 5415 1 17 . 1 1 41 41 ALA HA H 41 3.757 3.757 4.006 -0.249 19511 5416 1 17 . 1 1 41 41 ALA CA C 41 53.812 53.812 54.173 -0.361 19511 5417 1 17 . 1 1 41 41 ALA CB C 41 15.288 15.288 18.418 -3.130 19511 5418 1 17 . 1 1 41 41 ALA H H 41 8.201 8.201 8.071 0.130 19511 5419 1 17 . 1 1 42 42 HIS N N 42 114.498 114.498 114.944 -0.446 19511 5420 1 17 . 1 1 42 42 HIS HA H 42 3.751 3.751 4.556 -0.805 19511 5421 1 17 . 1 1 42 42 HIS CA C 42 53.713 53.713 56.904 -3.191 19511 5422 1 17 . 1 1 42 42 HIS CB C 42 25.282 25.282 31.385 -6.103 19511 5423 1 17 . 1 1 42 42 HIS H H 42 8.136 8.136 8.174 -0.038 19511 5424 1 17 . 1 1 43 43 ALA N N 43 121.763 121.763 120.622 1.141 19511 5425 1 17 . 1 1 43 43 ALA HA H 43 4.118 4.118 4.475 -0.357 19511 5426 1 17 . 1 1 43 43 ALA CA C 43 52.521 52.521 53.167 -0.646 19511 5427 1 17 . 1 1 43 43 ALA CB C 43 16.046 16.046 20.581 -4.535 19511 5428 1 17 . 1 1 43 43 ALA H H 43 8.181 8.181 7.512 0.669 19511 5429 1 17 . 1 1 44 44 LEU N N 44 114.063 114.063 118.575 -4.512 19511 5430 1 17 . 1 1 44 44 LEU HA H 44 4.416 4.416 4.516 -0.100 19511 5431 1 17 . 1 1 44 44 LEU CA C 44 51.814 51.814 55.346 -3.532 19511 5432 1 17 . 1 1 44 44 LEU CB C 44 40.181 40.181 43.891 -3.710 19511 5433 1 17 . 1 1 44 44 LEU H H 44 8.016 8.016 7.394 0.622 19511 5434 1 17 . 1 1 45 45 LYS N N 45 116.933 116.933 117.460 -0.527 19511 5435 1 17 . 1 1 45 45 LYS HA H 45 4.026 4.026 4.370 -0.344 19511 5436 1 17 . 1 1 45 45 LYS CA C 45 54.887 54.887 56.230 -1.343 19511 5437 1 17 . 1 1 45 45 LYS CB C 45 26.031 26.031 31.603 -5.572 19511 5438 1 17 . 1 1 45 45 LYS H H 45 7.867 7.867 8.170 -0.303 19511 5439 1 17 . 1 1 46 46 LEU N N 46 119.776 119.776 120.469 -0.693 19511 5440 1 17 . 1 1 46 46 LEU HA H 46 4.937 4.937 4.638 0.299 19511 5441 1 17 . 1 1 46 46 LEU CA C 46 49.983 49.983 53.837 -3.854 19511 5442 1 17 . 1 1 46 46 LEU CB C 46 45.389 45.389 43.114 2.275 19511 5443 1 17 . 1 1 46 46 LEU H H 46 8.517 8.517 8.003 0.514 19511 5444 1 17 . 1 1 47 47 SER N N 47 114.945 114.945 114.874 0.071 19511 5445 1 17 . 1 1 47 47 SER HA H 47 4.856 4.856 4.818 0.038 19511 5446 1 17 . 1 1 47 47 SER CA C 47 54.112 54.112 57.165 -3.053 19511 5447 1 17 . 1 1 47 47 SER CB C 47 62.635 62.635 64.810 -2.175 19511 5448 1 17 . 1 1 47 47 SER H H 47 9.225 9.225 8.261 0.964 19511 5449 1 17 . 1 1 48 48 GLU N N 48 122.216 122.216 126.610 -4.394 19511 5450 1 17 . 1 1 48 48 GLU HA H 48 3.778 3.778 4.044 -0.266 19511 5451 1 17 . 1 1 48 48 GLU CA C 48 58.893 58.893 59.090 -0.197 19511 5452 1 17 . 1 1 48 48 GLU CB C 48 27.002 27.002 28.979 -1.977 19511 5453 1 17 . 1 1 48 48 GLU H H 48 9.278 9.278 9.015 0.263 19511 5454 1 17 . 1 1 49 49 VAL N N 49 118.235 118.235 120.164 -1.929 19511 5455 1 17 . 1 1 49 49 VAL HA H 49 3.854 3.854 3.700 0.153 19511 5456 1 17 . 1 1 49 49 VAL CA C 49 63.808 63.808 65.998 -2.190 19511 5457 1 17 . 1 1 49 49 VAL CB C 49 29.556 29.556 31.499 -1.943 19511 5458 1 17 . 1 1 49 49 VAL H H 49 7.993 7.993 8.029 -0.036 19511 5459 1 17 . 1 1 50 50 GLN N N 50 119.879 119.879 118.681 1.198 19511 5460 1 17 . 1 1 50 50 GLN HA H 50 4.296 4.296 4.081 0.215 19511 5461 1 17 . 1 1 50 50 GLN CA C 50 57.495 57.495 58.822 -1.327 19511 5462 1 17 . 1 1 50 50 GLN CB C 50 27.381 27.381 28.195 -0.814 19511 5463 1 17 . 1 1 50 50 GLN H H 50 7.705 7.705 8.039 -0.334 19511 5464 1 17 . 1 1 51 51 VAL N N 51 117.905 117.905 119.561 -1.656 19511 5465 1 17 . 1 1 51 51 VAL HA H 51 3.818 3.818 3.563 0.255 19511 5466 1 17 . 1 1 51 51 VAL CA C 51 64.839 64.839 66.134 -1.295 19511 5467 1 17 . 1 1 51 51 VAL CB C 51 29.968 29.968 31.049 -1.081 19511 5468 1 17 . 1 1 51 51 VAL H H 51 7.629 7.629 7.699 -0.070 19511 5469 1 17 . 1 1 52 52 LYS N N 52 120.669 120.669 118.793 1.876 19511 5470 1 17 . 1 1 52 52 LYS HA H 52 4.168 4.168 4.319 -0.151 19511 5471 1 17 . 1 1 52 52 LYS CA C 52 57.489 57.489 59.198 -1.709 19511 5472 1 17 . 1 1 52 52 LYS CB C 52 30.473 30.473 32.511 -2.038 19511 5473 1 17 . 1 1 52 52 LYS H H 52 8.802 8.802 7.789 1.013 19511 5474 1 17 . 1 1 53 53 ILE N N 53 120.041 120.041 115.700 4.341 19511 5475 1 17 . 1 1 53 53 ILE HA H 53 3.710 3.710 4.207 -0.497 19511 5476 1 17 . 1 1 53 53 ILE CA C 53 61.549 61.549 62.576 -1.027 19511 5477 1 17 . 1 1 53 53 ILE CB C 53 35.022 35.022 39.259 -4.237 19511 5478 1 17 . 1 1 53 53 ILE H H 53 8.711 8.711 7.630 1.081 19511 5479 1 17 . 1 1 54 54 TRP N N 54 123.292 123.292 124.113 -0.821 19511 5480 1 17 . 1 1 54 54 TRP HA H 54 4.731 4.731 4.230 0.501 19511 5481 1 17 . 1 1 54 54 TRP CA C 54 60.105 60.105 61.527 -1.422 19511 5482 1 17 . 1 1 54 54 TRP CB C 54 26.108 26.108 29.399 -3.291 19511 5483 1 17 . 1 1 54 54 TRP H H 54 8.467 8.467 8.310 0.157 19511 5484 1 17 . 1 1 55 55 PHE N N 55 118.279 118.279 116.729 1.550 19511 5485 1 17 . 1 1 55 55 PHE HA H 55 3.801 3.801 3.830 -0.029 19511 5486 1 17 . 1 1 55 55 PHE CA C 55 61.097 61.097 61.513 -0.416 19511 5487 1 17 . 1 1 55 55 PHE CB C 55 36.812 36.812 38.211 -1.399 19511 5488 1 17 . 1 1 55 55 PHE H H 55 8.923 8.923 7.933 0.990 19511 5489 1 17 . 1 1 56 56 GLN N N 56 117.830 117.830 117.816 0.014 19511 5490 1 17 . 1 1 56 56 GLN HA H 56 4.036 4.036 3.918 0.118 19511 5491 1 17 . 1 1 56 56 GLN CA C 56 57.329 57.329 59.048 -1.720 19511 5492 1 17 . 1 1 56 56 GLN CB C 56 25.312 25.312 28.539 -3.227 19511 5493 1 17 . 1 1 56 56 GLN H H 56 7.994 7.994 8.010 -0.016 19511 5494 1 17 . 1 1 57 57 ASN N N 57 119.840 119.840 118.290 1.550 19511 5495 1 17 . 1 1 57 57 ASN HA H 57 4.632 4.632 4.401 0.231 19511 5496 1 17 . 1 1 57 57 ASN CA C 57 55.637 55.637 55.806 -0.168 19511 5497 1 17 . 1 1 57 57 ASN CB C 57 35.824 35.824 38.033 -2.209 19511 5498 1 17 . 1 1 57 57 ASN H H 57 8.715 8.715 7.714 1.001 19511 5499 1 17 . 1 1 58 58 ARG N N 58 125.366 125.366 119.863 5.503 19511 5500 1 17 . 1 1 58 58 ARG HA H 58 3.656 3.656 3.877 -0.221 19511 5501 1 17 . 1 1 58 58 ARG CA C 58 53.865 53.865 57.708 -3.842 19511 5502 1 17 . 1 1 58 58 ARG CB C 58 25.436 25.436 29.862 -4.426 19511 5503 1 17 . 1 1 58 58 ARG H H 58 8.806 8.806 7.362 1.444 19511 5504 1 17 . 1 1 59 59 ARG N N 59 120.172 120.172 118.509 1.663 19511 5505 1 17 . 1 1 59 59 ARG CB C 59 29.582 29.582 30.263 -0.681 19511 5506 1 17 . 1 1 59 59 ARG H H 59 8.345 8.345 7.304 1.041 19511 5507 1 17 . 1 1 60 60 ALA N N 60 122.418 122.418 122.901 -0.483 19511 5508 1 17 . 1 1 60 60 ALA HA H 60 4.420 4.420 4.192 0.228 19511 5509 1 17 . 1 1 60 60 ALA CA C 60 53.005 53.005 54.226 -1.221 19511 5510 1 17 . 1 1 60 60 ALA CB C 60 15.567 15.567 18.951 -3.384 19511 5511 1 17 . 1 1 60 60 ALA H H 60 7.587 7.587 7.774 -0.187 19511 5512 1 17 . 1 1 61 61 LYS N N 61 119.912 119.912 119.700 0.212 19511 5513 1 17 . 1 1 61 61 LYS HA H 61 4.003 4.003 3.778 0.225 19511 5514 1 17 . 1 1 61 61 LYS CA C 61 57.164 57.164 59.189 -2.025 19511 5515 1 17 . 1 1 61 61 LYS CB C 61 30.390 30.390 31.673 -1.283 19511 5516 1 17 . 1 1 61 61 LYS H H 61 7.856 7.856 7.893 -0.037 19511 5517 1 17 . 1 1 62 62 TRP N N 62 119.782 119.782 116.623 3.159 19511 5518 1 17 . 1 1 62 62 TRP HA H 62 4.535 4.535 4.570 -0.035 19511 5519 1 17 . 1 1 62 62 TRP CA C 62 57.359 57.359 58.818 -1.459 19511 5520 1 17 . 1 1 62 62 TRP CB C 62 27.020 27.020 28.927 -1.907 19511 5521 1 17 . 1 1 62 62 TRP H H 62 8.265 8.265 7.939 0.326 19511 5522 1 17 . 1 1 63 63 LYS N N 63 117.139 117.139 119.831 -2.692 19511 5523 1 17 . 1 1 63 63 LYS HA H 63 3.713 3.713 4.161 -0.448 19511 5524 1 17 . 1 1 63 63 LYS CA C 63 56.518 56.518 58.446 -1.928 19511 5525 1 17 . 1 1 63 63 LYS CB C 63 30.224 30.224 31.930 -1.706 19511 5526 1 17 . 1 1 63 63 LYS H H 63 8.262 8.262 7.787 0.475 19511 5527 1 17 . 1 1 64 64 ARG N N 64 118.868 118.868 118.062 0.806 19511 5528 1 17 . 1 1 64 64 ARG HA H 64 4.192 4.192 4.061 0.131 19511 5529 1 17 . 1 1 64 64 ARG CA C 64 56.249 56.249 58.979 -2.730 19511 5530 1 17 . 1 1 64 64 ARG CB C 64 28.227 28.227 30.351 -2.124 19511 5531 1 17 . 1 1 64 64 ARG H H 64 7.737 7.737 7.937 -0.200 19511 5532 1 17 . 1 1 65 65 ILE N N 65 119.744 119.744 121.068 -1.324 19511 5533 1 17 . 1 1 65 65 ILE HA H 65 4.012 4.012 3.888 0.124 19511 5534 1 17 . 1 1 65 65 ILE CA C 65 60.187 60.187 64.535 -4.348 19511 5535 1 17 . 1 1 65 65 ILE CB C 65 35.588 35.588 38.255 -2.667 19511 5536 1 17 . 1 1 65 65 ILE H H 65 8.010 8.010 7.525 0.485 19511 5537 1 17 . 1 1 66 66 LYS N N 66 122.316 122.316 119.998 2.318 19511 5538 1 17 . 1 1 66 66 LYS HA H 66 4.106 4.106 4.242 -0.136 19511 5539 1 17 . 1 1 66 66 LYS CA C 66 54.657 54.657 55.086 -0.429 19511 5540 1 17 . 1 1 66 66 LYS CB C 66 29.634 29.634 30.779 -1.145 19511 5541 1 17 . 1 1 66 66 LYS H H 66 8.055 8.055 8.276 -0.221 19511 5542 1 17 . 1 1 67 67 ALA N N 67 122.520 122.520 123.518 -0.998 19511 5543 1 17 . 1 1 67 67 ALA HA H 67 4.291 4.291 4.290 0.001 19511 5544 1 17 . 1 1 67 67 ALA CA C 67 50.463 50.463 52.376 -1.913 19511 5545 1 17 . 1 1 67 67 ALA CB C 67 16.535 16.535 17.885 -1.350 19511 5546 1 17 . 1 1 67 67 ALA H H 67 7.846 7.846 7.488 0.358 19511 5547 1 17 . 1 1 68 68 GLY N N 68 106.371 106.371 113.424 -7.053 19511 5548 1 17 . 1 1 68 68 GLY CA C 68 42.991 42.991 44.807 -1.817 19511 5549 1 17 . 1 1 68 68 GLY H H 68 8.053 8.053 8.116 -0.063 19511 5550 1 17 . 1 1 69 69 ASN N N 69 118.766 118.766 121.954 -3.188 19511 5551 1 17 . 1 1 69 69 ASN HA H 69 4.832 4.832 4.687 0.145 19511 5552 1 17 . 1 1 69 69 ASN CA C 69 50.749 50.749 53.139 -2.389 19511 5553 1 17 . 1 1 69 69 ASN CB C 69 36.737 36.737 38.882 -2.145 19511 5554 1 17 . 1 1 69 69 ASN H H 69 8.166 8.166 8.694 -0.528 19511 5555 1 17 . 1 1 70 70 VAL N N 70 119.471 119.471 113.805 5.666 19511 5556 1 17 . 1 1 70 70 VAL HA H 70 4.265 4.265 4.544 -0.279 19511 5557 1 17 . 1 1 70 70 VAL CA C 70 59.765 59.765 60.464 -0.699 19511 5558 1 17 . 1 1 70 70 VAL CB C 70 30.482 30.482 33.519 -3.037 19511 5559 1 17 . 1 1 70 70 VAL H H 70 8.087 8.087 8.184 -0.097 19511 5560 1 18 . 1 1 3 3 PRO HA H 3 4.499 4.499 4.739 -0.240 19511 5561 1 18 . 1 1 3 3 PRO CA C 3 61.077 61.077 63.256 -2.179 19511 5562 1 18 . 1 1 3 3 PRO CB C 3 29.635 29.635 32.980 -3.345 19511 5563 1 18 . 1 1 4 4 GLY N N 4 109.482 109.482 106.909 2.573 19511 5564 1 18 . 1 1 4 4 GLY CA C 4 42.963 42.963 45.696 -2.733 19511 5565 1 18 . 1 1 4 4 GLY H H 4 8.521 8.521 8.923 -0.402 19511 5566 1 18 . 1 1 5 5 GLY N N 5 108.605 108.605 108.226 0.379 19511 5567 1 18 . 1 1 5 5 GLY CA C 5 42.869 42.869 45.070 -2.201 19511 5568 1 18 . 1 1 5 5 GLY H H 5 8.245 8.245 7.850 0.395 19511 5569 1 18 . 1 1 6 6 LYS N N 6 120.900 120.900 122.969 -2.069 19511 5570 1 18 . 1 1 6 6 LYS HA H 6 4.454 4.454 4.445 0.009 19511 5571 1 18 . 1 1 6 6 LYS CA C 6 53.594 53.594 56.720 -3.126 19511 5572 1 18 . 1 1 6 6 LYS CB C 6 31.034 31.034 32.613 -1.579 19511 5573 1 18 . 1 1 6 6 LYS H H 6 8.201 8.201 8.247 -0.046 19511 5574 1 18 . 1 1 7 7 SER N N 7 118.055 118.055 118.616 -0.561 19511 5575 1 18 . 1 1 7 7 SER HA H 7 4.533 4.533 4.546 -0.013 19511 5576 1 18 . 1 1 7 7 SER CA C 7 55.637 55.637 57.736 -2.099 19511 5577 1 18 . 1 1 7 7 SER CB C 7 61.343 61.343 64.879 -3.536 19511 5578 1 18 . 1 1 7 7 SER H H 7 8.425 8.425 8.280 0.145 19511 5579 1 18 . 1 1 8 8 ARG HA H 8 4.547 4.547 4.589 -0.042 19511 5580 1 18 . 1 1 8 8 ARG CA C 8 53.146 53.146 55.544 -2.398 19511 5581 1 18 . 1 1 8 8 ARG CB C 8 29.317 29.317 28.927 0.390 19511 5582 1 18 . 1 1 9 9 ARG N N 9 124.954 124.954 120.406 4.548 19511 5583 1 18 . 1 1 9 9 ARG HA H 9 4.321 4.321 4.594 -0.273 19511 5584 1 18 . 1 1 9 9 ARG CA C 9 54.049 54.049 55.077 -1.028 19511 5585 1 18 . 1 1 9 9 ARG CB C 9 28.705 28.705 32.421 -3.716 19511 5586 1 18 . 1 1 9 9 ARG H H 9 9.037 9.037 8.161 0.876 19511 5587 1 18 . 1 1 10 10 ARG N N 10 122.493 122.493 122.861 -0.368 19511 5588 1 18 . 1 1 10 10 ARG HA H 10 4.322 4.322 4.142 0.180 19511 5589 1 18 . 1 1 10 10 ARG CA C 10 53.971 53.971 55.998 -2.027 19511 5590 1 18 . 1 1 10 10 ARG CB C 10 28.386 28.386 28.878 -0.492 19511 5591 1 18 . 1 1 10 10 ARG H H 10 8.350 8.350 8.682 -0.332 19511 5592 1 18 . 1 1 11 11 ARG N N 11 123.361 123.361 124.227 -0.866 19511 5593 1 18 . 1 1 11 11 ARG HA H 11 4.312 4.312 4.420 -0.108 19511 5594 1 18 . 1 1 11 11 ARG CA C 11 53.146 53.146 55.693 -2.547 19511 5595 1 18 . 1 1 11 11 ARG CB C 11 30.162 30.162 29.724 0.438 19511 5596 1 18 . 1 1 11 11 ARG H H 11 8.508 8.508 8.184 0.324 19511 5597 1 18 . 1 1 12 12 THR N N 12 126.287 126.287 112.966 13.321 19511 5598 1 18 . 1 1 12 12 THR HA H 12 3.790 3.790 3.972 -0.182 19511 5599 1 18 . 1 1 12 12 THR CA C 12 62.948 62.948 62.565 0.383 19511 5600 1 18 . 1 1 12 12 THR CB C 12 66.854 66.854 69.780 -2.926 19511 5601 1 18 . 1 1 12 12 THR H H 12 8.068 8.068 7.440 0.628 19511 5602 1 18 . 1 1 13 13 ALA N N 13 129.745 129.745 124.566 5.179 19511 5603 1 18 . 1 1 13 13 ALA HA H 13 4.664 4.664 4.522 0.142 19511 5604 1 18 . 1 1 13 13 ALA CA C 13 47.602 47.602 51.796 -4.194 19511 5605 1 18 . 1 1 13 13 ALA CB C 13 16.412 16.412 19.021 -2.609 19511 5606 1 18 . 1 1 13 13 ALA H H 13 8.317 8.317 8.129 0.188 19511 5607 1 18 . 1 1 14 14 PHE N N 14 124.589 124.589 118.831 5.758 19511 5608 1 18 . 1 1 14 14 PHE HA H 14 4.708 4.708 4.564 0.144 19511 5609 1 18 . 1 1 14 14 PHE CA C 14 56.288 56.288 56.807 -0.519 19511 5610 1 18 . 1 1 14 14 PHE CB C 14 38.229 38.229 39.644 -1.415 19511 5611 1 18 . 1 1 14 14 PHE H H 14 8.594 8.594 7.524 1.070 19511 5612 1 18 . 1 1 15 15 THR N N 15 113.746 113.746 109.636 4.110 19511 5613 1 18 . 1 1 15 15 THR HA H 15 4.575 4.575 4.572 0.003 19511 5614 1 18 . 1 1 15 15 THR CA C 15 58.027 58.027 60.119 -2.092 19511 5615 1 18 . 1 1 15 15 THR CB C 15 68.256 68.256 71.779 -3.523 19511 5616 1 18 . 1 1 15 15 THR H H 15 9.053 9.053 8.065 0.988 19511 5617 1 18 . 1 1 16 16 SER N N 16 116.624 116.624 116.515 0.109 19511 5618 1 18 . 1 1 16 16 SER HA H 16 4.713 4.713 4.149 0.564 19511 5619 1 18 . 1 1 16 16 SER CA C 16 59.750 59.750 61.539 -1.789 19511 5620 1 18 . 1 1 16 16 SER CB C 16 59.639 59.639 62.960 -3.321 19511 5621 1 18 . 1 1 16 16 SER H H 16 9.092 9.092 8.729 0.363 19511 5622 1 18 . 1 1 17 17 GLU N N 17 120.287 120.287 119.967 0.320 19511 5623 1 18 . 1 1 17 17 GLU HA H 17 4.081 4.081 4.088 -0.007 19511 5624 1 18 . 1 1 17 17 GLU CA C 17 57.565 57.565 59.315 -1.750 19511 5625 1 18 . 1 1 17 17 GLU CB C 17 26.998 26.998 29.394 -2.396 19511 5626 1 18 . 1 1 17 17 GLU H H 17 8.560 8.560 8.768 -0.208 19511 5627 1 18 . 1 1 18 18 GLN N N 18 118.169 118.169 115.920 2.249 19511 5628 1 18 . 1 1 18 18 GLN HA H 18 3.898 3.898 4.236 -0.338 19511 5629 1 18 . 1 1 18 18 GLN CA C 18 56.609 56.609 56.810 -0.201 19511 5630 1 18 . 1 1 18 18 GLN CB C 18 32.647 32.647 29.374 3.273 19511 5631 1 18 . 1 1 18 18 GLN H H 18 7.769 7.769 7.535 0.234 19511 5632 1 18 . 1 1 19 19 LEU N N 19 116.929 116.929 119.010 -2.081 19511 5633 1 18 . 1 1 19 19 LEU HA H 19 3.655 3.655 4.185 -0.530 19511 5634 1 18 . 1 1 19 19 LEU CA C 19 55.390 55.390 55.568 -0.178 19511 5635 1 18 . 1 1 19 19 LEU CB C 19 39.414 39.414 42.494 -3.080 19511 5636 1 18 . 1 1 19 19 LEU H H 19 8.227 8.227 7.513 0.714 19511 5637 1 18 . 1 1 20 20 LEU N N 20 118.864 118.864 121.756 -2.892 19511 5638 1 18 . 1 1 20 20 LEU HA H 20 4.034 4.034 3.959 0.075 19511 5639 1 18 . 1 1 20 20 LEU CA C 20 55.765 55.765 58.838 -3.073 19511 5640 1 18 . 1 1 20 20 LEU CB C 20 39.758 39.758 41.675 -1.917 19511 5641 1 18 . 1 1 20 20 LEU H H 20 8.037 8.037 7.645 0.392 19511 5642 1 18 . 1 1 21 21 GLU N N 21 118.147 118.147 116.821 1.326 19511 5643 1 18 . 1 1 21 21 GLU HA H 21 4.159 4.159 4.064 0.095 19511 5644 1 18 . 1 1 21 21 GLU CA C 21 56.062 56.062 58.928 -2.866 19511 5645 1 18 . 1 1 21 21 GLU CB C 21 27.576 27.576 29.108 -1.532 19511 5646 1 18 . 1 1 21 21 GLU H H 21 7.491 7.491 8.503 -1.012 19511 5647 1 18 . 1 1 22 22 LEU N N 22 122.316 122.316 121.961 0.355 19511 5648 1 18 . 1 1 22 22 LEU HA H 22 3.534 3.534 3.942 -0.408 19511 5649 1 18 . 1 1 22 22 LEU CA C 22 56.091 56.091 58.030 -1.939 19511 5650 1 18 . 1 1 22 22 LEU CB C 22 35.557 35.557 41.443 -5.886 19511 5651 1 18 . 1 1 22 22 LEU H H 22 8.254 8.254 7.972 0.282 19511 5652 1 18 . 1 1 23 23 GLU N N 23 117.645 117.645 118.113 -0.468 19511 5653 1 18 . 1 1 23 23 GLU HA H 23 4.319 4.319 4.348 -0.029 19511 5654 1 18 . 1 1 23 23 GLU CA C 23 56.627 56.627 59.705 -3.078 19511 5655 1 18 . 1 1 23 23 GLU CB C 23 26.800 26.800 29.591 -2.791 19511 5656 1 18 . 1 1 23 23 GLU H H 23 8.084 8.084 8.332 -0.248 19511 5657 1 18 . 1 1 24 24 LYS N N 24 120.989 120.989 120.002 0.987 19511 5658 1 18 . 1 1 24 24 LYS HA H 24 4.088 4.088 4.089 -0.001 19511 5659 1 18 . 1 1 24 24 LYS CA C 24 57.392 57.392 59.561 -2.169 19511 5660 1 18 . 1 1 24 24 LYS H H 24 7.884 7.884 7.470 0.414 19511 5661 1 18 . 1 1 25 25 GLU N N 25 119.686 119.686 120.005 -0.319 19511 5662 1 18 . 1 1 25 25 GLU HA H 25 4.325 4.325 4.149 0.176 19511 5663 1 18 . 1 1 25 25 GLU CA C 25 56.529 56.529 59.473 -2.944 19511 5664 1 18 . 1 1 25 25 GLU CB C 25 26.344 26.344 29.675 -3.331 19511 5665 1 18 . 1 1 25 25 GLU H H 25 8.179 8.179 8.388 -0.209 19511 5666 1 18 . 1 1 26 26 PHE N N 26 121.229 121.229 118.846 2.383 19511 5667 1 18 . 1 1 26 26 PHE HA H 26 4.769 4.769 4.742 0.027 19511 5668 1 18 . 1 1 26 26 PHE CA C 26 57.746 57.746 58.883 -1.137 19511 5669 1 18 . 1 1 26 26 PHE CB C 26 41.554 41.554 39.610 1.944 19511 5670 1 18 . 1 1 26 26 PHE H H 26 8.896 8.896 8.144 0.752 19511 5671 1 18 . 1 1 27 27 HIS N N 27 115.789 115.789 118.354 -2.565 19511 5672 1 18 . 1 1 27 27 HIS HA H 27 4.069 4.069 4.424 -0.355 19511 5673 1 18 . 1 1 27 27 HIS CA C 27 56.598 56.598 59.209 -2.611 19511 5674 1 18 . 1 1 27 27 HIS CB C 27 27.235 27.235 30.220 -2.985 19511 5675 1 18 . 1 1 27 27 HIS H H 27 8.110 8.110 7.833 0.277 19511 5676 1 18 . 1 1 28 28 CYS N N 28 115.311 115.311 114.966 0.345 19511 5677 1 18 . 1 1 28 28 CYS HA H 28 4.553 4.553 4.566 -0.013 19511 5678 1 18 . 1 1 28 28 CYS CA C 28 54.270 54.270 59.281 -5.011 19511 5679 1 18 . 1 1 28 28 CYS CB C 28 39.551 39.551 29.802 9.749 19511 5680 1 18 . 1 1 28 28 CYS H H 28 7.470 7.470 7.542 -0.072 19511 5681 1 18 . 1 1 29 29 LYS N N 29 122.013 122.013 118.565 3.448 19511 5682 1 18 . 1 1 29 29 LYS HA H 29 4.412 4.412 4.152 0.260 19511 5683 1 18 . 1 1 29 29 LYS CA C 29 53.840 53.840 54.983 -1.143 19511 5684 1 18 . 1 1 29 29 LYS CB C 29 32.448 32.448 33.478 -1.030 19511 5685 1 18 . 1 1 29 29 LYS H H 29 8.648 8.648 7.011 1.637 19511 5686 1 18 . 1 1 30 30 LYS N N 30 117.519 117.519 121.687 -4.168 19511 5687 1 18 . 1 1 30 30 LYS HA H 30 3.837 3.837 3.580 0.257 19511 5688 1 18 . 1 1 30 30 LYS CA C 30 53.748 53.748 57.250 -3.502 19511 5689 1 18 . 1 1 30 30 LYS CB C 30 30.195 30.195 32.297 -2.102 19511 5690 1 18 . 1 1 30 30 LYS H H 30 7.887 7.887 8.303 -0.416 19511 5691 1 18 . 1 1 31 31 TYR N N 31 112.770 112.770 111.977 0.793 19511 5692 1 18 . 1 1 31 31 TYR HA H 31 4.591 4.591 5.012 -0.421 19511 5693 1 18 . 1 1 31 31 TYR CA C 31 53.415 53.415 54.504 -1.089 19511 5694 1 18 . 1 1 31 31 TYR CB C 31 39.905 39.905 40.306 -0.401 19511 5695 1 18 . 1 1 31 31 TYR H H 31 7.368 7.368 6.698 0.670 19511 5696 1 18 . 1 1 32 32 LEU N N 32 120.286 120.286 122.485 -2.199 19511 5697 1 18 . 1 1 32 32 LEU HA H 32 4.766 4.766 4.786 -0.020 19511 5698 1 18 . 1 1 32 32 LEU CA C 32 50.290 50.290 53.838 -3.548 19511 5699 1 18 . 1 1 32 32 LEU CB C 32 42.846 42.846 44.180 -1.334 19511 5700 1 18 . 1 1 32 32 LEU H H 32 8.442 8.442 8.257 0.185 19511 5701 1 18 . 1 1 33 33 SER N N 33 120.490 120.490 119.876 0.614 19511 5702 1 18 . 1 1 33 33 SER HA H 33 4.045 4.045 4.481 -0.436 19511 5703 1 18 . 1 1 33 33 SER CA C 33 54.957 54.957 58.056 -3.099 19511 5704 1 18 . 1 1 33 33 SER CB C 33 63.875 63.875 64.109 -0.234 19511 5705 1 18 . 1 1 33 33 SER H H 33 9.439 9.439 8.713 0.726 19511 5706 1 18 . 1 1 34 34 LEU N N 34 121.725 121.725 123.447 -1.722 19511 5707 1 18 . 1 1 34 34 LEU HA H 34 4.059 4.059 4.134 -0.075 19511 5708 1 18 . 1 1 34 34 LEU CA C 34 56.683 56.683 58.870 -2.187 19511 5709 1 18 . 1 1 34 34 LEU CB C 34 38.920 38.920 40.070 -1.150 19511 5710 1 18 . 1 1 34 34 LEU H H 34 8.886 8.886 8.656 0.230 19511 5711 1 18 . 1 1 35 35 THR N N 35 113.779 113.779 114.131 -0.352 19511 5712 1 18 . 1 1 35 35 THR HA H 35 4.047 4.047 4.000 0.047 19511 5713 1 18 . 1 1 35 35 THR CA C 35 63.322 63.322 65.960 -2.638 19511 5714 1 18 . 1 1 35 35 THR CB C 35 65.973 65.973 68.635 -2.662 19511 5715 1 18 . 1 1 35 35 THR H H 35 8.142 8.142 8.216 -0.074 19511 5716 1 18 . 1 1 36 36 GLU N N 36 122.728 122.728 119.976 2.752 19511 5717 1 18 . 1 1 36 36 GLU HA H 36 4.036 4.036 4.163 -0.127 19511 5718 1 18 . 1 1 36 36 GLU CA C 36 56.454 56.454 59.501 -3.047 19511 5719 1 18 . 1 1 36 36 GLU CB C 36 27.949 27.949 29.138 -1.189 19511 5720 1 18 . 1 1 36 36 GLU H H 36 7.658 7.658 8.303 -0.645 19511 5721 1 18 . 1 1 37 37 ARG N N 37 118.862 118.862 120.129 -1.267 19511 5722 1 18 . 1 1 37 37 ARG HA H 37 3.842 3.842 4.130 -0.288 19511 5723 1 18 . 1 1 37 37 ARG CA C 37 57.537 57.537 59.256 -1.719 19511 5724 1 18 . 1 1 37 37 ARG CB C 37 28.496 28.496 30.221 -1.726 19511 5725 1 18 . 1 1 37 37 ARG H H 37 8.762 8.762 8.490 0.272 19511 5726 1 18 . 1 1 38 38 SER N N 38 113.126 113.126 115.120 -1.994 19511 5727 1 18 . 1 1 38 38 SER HA H 38 4.039 4.039 4.251 -0.212 19511 5728 1 18 . 1 1 38 38 SER CA C 38 60.349 60.349 61.102 -0.753 19511 5729 1 18 . 1 1 38 38 SER CB C 38 65.383 65.383 62.840 2.543 19511 5730 1 18 . 1 1 38 38 SER H H 38 7.989 7.989 8.075 -0.086 19511 5731 1 18 . 1 1 39 39 GLN N N 39 121.461 121.461 121.675 -0.214 19511 5732 1 18 . 1 1 39 39 GLN HA H 39 4.176 4.176 4.046 0.130 19511 5733 1 18 . 1 1 39 39 GLN CA C 39 56.766 56.766 59.105 -2.339 19511 5734 1 18 . 1 1 39 39 GLN CB C 39 25.985 25.985 28.784 -2.799 19511 5735 1 18 . 1 1 39 39 GLN H H 39 8.017 8.017 7.733 0.284 19511 5736 1 18 . 1 1 40 40 ILE N N 40 121.303 121.303 120.031 1.272 19511 5737 1 18 . 1 1 40 40 ILE HA H 40 3.943 3.943 3.640 0.303 19511 5738 1 18 . 1 1 40 40 ILE CA C 40 62.170 62.170 64.451 -2.281 19511 5739 1 18 . 1 1 40 40 ILE CB C 40 35.984 35.984 37.404 -1.420 19511 5740 1 18 . 1 1 40 40 ILE H H 40 8.290 8.290 7.517 0.773 19511 5741 1 18 . 1 1 41 41 ALA N N 41 121.610 121.610 121.450 0.160 19511 5742 1 18 . 1 1 41 41 ALA HA H 41 3.757 3.757 4.002 -0.245 19511 5743 1 18 . 1 1 41 41 ALA CA C 41 53.812 53.812 54.606 -0.794 19511 5744 1 18 . 1 1 41 41 ALA CB C 41 15.288 15.288 18.450 -3.162 19511 5745 1 18 . 1 1 41 41 ALA H H 41 8.201 8.201 7.630 0.571 19511 5746 1 18 . 1 1 42 42 HIS N N 42 114.498 114.498 115.226 -0.728 19511 5747 1 18 . 1 1 42 42 HIS HA H 42 3.751 3.751 4.607 -0.856 19511 5748 1 18 . 1 1 42 42 HIS CA C 42 53.713 53.713 55.028 -1.315 19511 5749 1 18 . 1 1 42 42 HIS CB C 42 25.282 25.282 30.452 -5.170 19511 5750 1 18 . 1 1 42 42 HIS H H 42 8.136 8.136 7.787 0.349 19511 5751 1 18 . 1 1 43 43 ALA N N 43 121.763 121.763 122.776 -1.013 19511 5752 1 18 . 1 1 43 43 ALA HA H 43 4.118 4.118 4.181 -0.063 19511 5753 1 18 . 1 1 43 43 ALA CA C 43 52.521 52.521 54.151 -1.630 19511 5754 1 18 . 1 1 43 43 ALA CB C 43 16.046 16.046 20.030 -3.985 19511 5755 1 18 . 1 1 43 43 ALA H H 43 8.181 8.181 8.148 0.033 19511 5756 1 18 . 1 1 44 44 LEU N N 44 114.063 114.063 118.595 -4.532 19511 5757 1 18 . 1 1 44 44 LEU HA H 44 4.416 4.416 4.183 0.233 19511 5758 1 18 . 1 1 44 44 LEU CA C 44 51.814 51.814 55.522 -3.708 19511 5759 1 18 . 1 1 44 44 LEU CB C 44 40.181 40.181 42.931 -2.750 19511 5760 1 18 . 1 1 44 44 LEU H H 44 8.016 8.016 7.503 0.513 19511 5761 1 18 . 1 1 45 45 LYS N N 45 116.933 116.933 115.926 1.007 19511 5762 1 18 . 1 1 45 45 LYS HA H 45 4.026 4.026 4.463 -0.437 19511 5763 1 18 . 1 1 45 45 LYS CA C 45 54.887 54.887 56.238 -1.351 19511 5764 1 18 . 1 1 45 45 LYS CB C 45 26.031 26.031 33.107 -7.076 19511 5765 1 18 . 1 1 45 45 LYS H H 45 7.867 7.867 8.258 -0.391 19511 5766 1 18 . 1 1 46 46 LEU N N 46 119.776 119.776 120.996 -1.220 19511 5767 1 18 . 1 1 46 46 LEU HA H 46 4.937 4.937 4.571 0.366 19511 5768 1 18 . 1 1 46 46 LEU CA C 46 49.983 49.983 54.785 -4.802 19511 5769 1 18 . 1 1 46 46 LEU CB C 46 45.389 45.389 42.649 2.740 19511 5770 1 18 . 1 1 46 46 LEU H H 46 8.517 8.517 7.742 0.775 19511 5771 1 18 . 1 1 47 47 SER N N 47 114.945 114.945 114.496 0.449 19511 5772 1 18 . 1 1 47 47 SER HA H 47 4.856 4.856 4.691 0.165 19511 5773 1 18 . 1 1 47 47 SER CA C 47 54.112 54.112 56.397 -2.285 19511 5774 1 18 . 1 1 47 47 SER CB C 47 62.635 62.635 64.224 -1.589 19511 5775 1 18 . 1 1 47 47 SER H H 47 9.225 9.225 8.318 0.907 19511 5776 1 18 . 1 1 48 48 GLU N N 48 122.216 122.216 127.743 -5.527 19511 5777 1 18 . 1 1 48 48 GLU HA H 48 3.778 3.778 4.027 -0.249 19511 5778 1 18 . 1 1 48 48 GLU CA C 48 58.893 58.893 59.879 -0.986 19511 5779 1 18 . 1 1 48 48 GLU CB C 48 27.002 27.002 29.566 -2.564 19511 5780 1 18 . 1 1 48 48 GLU H H 48 9.278 9.278 9.114 0.164 19511 5781 1 18 . 1 1 49 49 VAL N N 49 118.235 118.235 118.052 0.183 19511 5782 1 18 . 1 1 49 49 VAL HA H 49 3.854 3.854 3.835 0.019 19511 5783 1 18 . 1 1 49 49 VAL CA C 49 63.808 63.808 65.402 -1.594 19511 5784 1 18 . 1 1 49 49 VAL CB C 49 29.556 29.556 31.164 -1.608 19511 5785 1 18 . 1 1 49 49 VAL H H 49 7.993 7.993 7.930 0.063 19511 5786 1 18 . 1 1 50 50 GLN N N 50 119.879 119.879 119.006 0.873 19511 5787 1 18 . 1 1 50 50 GLN HA H 50 4.296 4.296 4.196 0.100 19511 5788 1 18 . 1 1 50 50 GLN CA C 50 57.495 57.495 58.129 -0.634 19511 5789 1 18 . 1 1 50 50 GLN CB C 50 27.381 27.381 29.084 -1.703 19511 5790 1 18 . 1 1 50 50 GLN H H 50 7.705 7.705 7.713 -0.008 19511 5791 1 18 . 1 1 51 51 VAL N N 51 117.905 117.905 120.863 -2.958 19511 5792 1 18 . 1 1 51 51 VAL HA H 51 3.818 3.818 3.800 0.018 19511 5793 1 18 . 1 1 51 51 VAL CA C 51 64.839 64.839 66.308 -1.469 19511 5794 1 18 . 1 1 51 51 VAL CB C 51 29.968 29.968 31.333 -1.365 19511 5795 1 18 . 1 1 51 51 VAL H H 51 7.629 7.629 7.738 -0.109 19511 5796 1 18 . 1 1 52 52 LYS N N 52 120.669 120.669 116.913 3.756 19511 5797 1 18 . 1 1 52 52 LYS HA H 52 4.168 4.168 4.291 -0.123 19511 5798 1 18 . 1 1 52 52 LYS CA C 52 57.489 57.489 58.473 -0.984 19511 5799 1 18 . 1 1 52 52 LYS CB C 52 30.473 30.473 32.008 -1.535 19511 5800 1 18 . 1 1 52 52 LYS H H 52 8.802 8.802 7.809 0.993 19511 5801 1 18 . 1 1 53 53 ILE N N 53 120.041 120.041 116.299 3.742 19511 5802 1 18 . 1 1 53 53 ILE HA H 53 3.710 3.710 3.916 -0.206 19511 5803 1 18 . 1 1 53 53 ILE CA C 53 61.549 61.549 62.220 -0.671 19511 5804 1 18 . 1 1 53 53 ILE CB C 53 35.022 35.022 39.457 -4.435 19511 5805 1 18 . 1 1 53 53 ILE H H 53 8.711 8.711 7.543 1.168 19511 5806 1 18 . 1 1 54 54 TRP N N 54 123.292 123.292 123.524 -0.232 19511 5807 1 18 . 1 1 54 54 TRP HA H 54 4.731 4.731 4.131 0.600 19511 5808 1 18 . 1 1 54 54 TRP CA C 54 60.105 60.105 61.736 -1.631 19511 5809 1 18 . 1 1 54 54 TRP CB C 54 26.108 26.108 29.675 -3.567 19511 5810 1 18 . 1 1 54 54 TRP H H 54 8.467 8.467 7.722 0.745 19511 5811 1 18 . 1 1 55 55 PHE N N 55 118.279 118.279 114.684 3.595 19511 5812 1 18 . 1 1 55 55 PHE HA H 55 3.801 3.801 3.846 -0.045 19511 5813 1 18 . 1 1 55 55 PHE CA C 55 61.097 61.097 59.517 1.580 19511 5814 1 18 . 1 1 55 55 PHE CB C 55 36.812 36.812 37.612 -0.800 19511 5815 1 18 . 1 1 55 55 PHE H H 55 8.923 8.923 6.959 1.964 19511 5816 1 18 . 1 1 56 56 GLN N N 56 117.830 117.830 121.157 -3.327 19511 5817 1 18 . 1 1 56 56 GLN HA H 56 4.036 4.036 4.144 -0.108 19511 5818 1 18 . 1 1 56 56 GLN CA C 56 57.329 57.329 58.556 -1.227 19511 5819 1 18 . 1 1 56 56 GLN CB C 56 25.312 25.312 28.461 -3.149 19511 5820 1 18 . 1 1 56 56 GLN H H 56 7.994 7.994 7.816 0.178 19511 5821 1 18 . 1 1 57 57 ASN N N 57 119.840 119.840 117.611 2.229 19511 5822 1 18 . 1 1 57 57 ASN HA H 57 4.632 4.632 4.452 0.180 19511 5823 1 18 . 1 1 57 57 ASN CA C 57 55.637 55.637 54.932 0.705 19511 5824 1 18 . 1 1 57 57 ASN CB C 57 35.824 35.824 38.011 -2.187 19511 5825 1 18 . 1 1 57 57 ASN H H 57 8.715 8.715 8.597 0.118 19511 5826 1 18 . 1 1 58 58 ARG N N 58 125.366 125.366 119.944 5.422 19511 5827 1 18 . 1 1 58 58 ARG HA H 58 3.656 3.656 3.974 -0.318 19511 5828 1 18 . 1 1 58 58 ARG CA C 58 53.865 53.865 57.394 -3.529 19511 5829 1 18 . 1 1 58 58 ARG CB C 58 25.436 25.436 29.900 -4.464 19511 5830 1 18 . 1 1 58 58 ARG H H 58 8.806 8.806 7.445 1.361 19511 5831 1 18 . 1 1 59 59 ARG N N 59 120.172 120.172 118.850 1.322 19511 5832 1 18 . 1 1 59 59 ARG CB C 59 29.582 29.582 30.036 -0.454 19511 5833 1 18 . 1 1 59 59 ARG H H 59 8.345 8.345 7.520 0.825 19511 5834 1 18 . 1 1 60 60 ALA N N 60 122.418 122.418 120.787 1.631 19511 5835 1 18 . 1 1 60 60 ALA HA H 60 4.420 4.420 4.334 0.086 19511 5836 1 18 . 1 1 60 60 ALA CA C 60 53.005 53.005 53.388 -0.383 19511 5837 1 18 . 1 1 60 60 ALA CB C 60 15.567 15.567 18.517 -2.950 19511 5838 1 18 . 1 1 60 60 ALA H H 60 7.587 7.587 7.861 -0.274 19511 5839 1 18 . 1 1 61 61 LYS N N 61 119.912 119.912 120.106 -0.194 19511 5840 1 18 . 1 1 61 61 LYS HA H 61 4.003 4.003 3.825 0.178 19511 5841 1 18 . 1 1 61 61 LYS CA C 61 57.164 57.164 59.034 -1.870 19511 5842 1 18 . 1 1 61 61 LYS CB C 61 30.390 30.390 31.575 -1.185 19511 5843 1 18 . 1 1 61 61 LYS H H 61 7.856 7.856 7.941 -0.085 19511 5844 1 18 . 1 1 62 62 TRP N N 62 119.782 119.782 116.843 2.939 19511 5845 1 18 . 1 1 62 62 TRP HA H 62 4.535 4.535 4.611 -0.076 19511 5846 1 18 . 1 1 62 62 TRP CA C 62 57.359 57.359 58.355 -0.996 19511 5847 1 18 . 1 1 62 62 TRP CB C 62 27.020 27.020 29.247 -2.227 19511 5848 1 18 . 1 1 62 62 TRP H H 62 8.265 8.265 7.476 0.789 19511 5849 1 18 . 1 1 63 63 LYS N N 63 117.139 117.139 119.287 -2.148 19511 5850 1 18 . 1 1 63 63 LYS HA H 63 3.713 3.713 4.164 -0.451 19511 5851 1 18 . 1 1 63 63 LYS CA C 63 56.518 56.518 58.546 -2.028 19511 5852 1 18 . 1 1 63 63 LYS CB C 63 30.224 30.224 31.727 -1.503 19511 5853 1 18 . 1 1 63 63 LYS H H 63 8.262 8.262 8.127 0.135 19511 5854 1 18 . 1 1 64 64 ARG N N 64 118.868 118.868 117.866 1.002 19511 5855 1 18 . 1 1 64 64 ARG HA H 64 4.192 4.192 4.112 0.080 19511 5856 1 18 . 1 1 64 64 ARG CA C 64 56.249 56.249 58.195 -1.946 19511 5857 1 18 . 1 1 64 64 ARG CB C 64 28.227 28.227 30.149 -1.922 19511 5858 1 18 . 1 1 64 64 ARG H H 64 7.737 7.737 8.064 -0.327 19511 5859 1 18 . 1 1 65 65 ILE N N 65 119.744 119.744 115.779 3.965 19511 5860 1 18 . 1 1 65 65 ILE HA H 65 4.012 4.012 4.251 -0.239 19511 5861 1 18 . 1 1 65 65 ILE CA C 65 60.187 60.187 61.935 -1.748 19511 5862 1 18 . 1 1 65 65 ILE CB C 65 35.588 35.588 39.639 -4.051 19511 5863 1 18 . 1 1 65 65 ILE H H 65 8.010 8.010 7.713 0.296 19511 5864 1 18 . 1 1 66 66 LYS N N 66 122.316 122.316 121.972 0.344 19511 5865 1 18 . 1 1 66 66 LYS HA H 66 4.106 4.106 4.374 -0.268 19511 5866 1 18 . 1 1 66 66 LYS CA C 66 54.657 54.657 54.856 -0.199 19511 5867 1 18 . 1 1 66 66 LYS CB C 66 29.634 29.634 30.589 -0.955 19511 5868 1 18 . 1 1 66 66 LYS H H 66 8.055 8.055 8.173 -0.118 19511 5869 1 18 . 1 1 67 67 ALA N N 67 122.520 122.520 121.895 0.625 19511 5870 1 18 . 1 1 67 67 ALA HA H 67 4.291 4.291 4.813 -0.522 19511 5871 1 18 . 1 1 67 67 ALA CA C 67 50.463 50.463 51.753 -1.290 19511 5872 1 18 . 1 1 67 67 ALA CB C 67 16.535 16.535 20.494 -3.959 19511 5873 1 18 . 1 1 67 67 ALA H H 67 7.846 7.846 7.263 0.583 19511 5874 1 18 . 1 1 68 68 GLY N N 68 106.371 106.371 107.034 -0.663 19511 5875 1 18 . 1 1 68 68 GLY CA C 68 42.991 42.991 45.156 -2.165 19511 5876 1 18 . 1 1 68 68 GLY H H 68 8.053 8.053 8.551 -0.498 19511 5877 1 18 . 1 1 69 69 ASN N N 69 118.766 118.766 118.973 -0.207 19511 5878 1 18 . 1 1 69 69 ASN HA H 69 4.832 4.832 4.911 -0.079 19511 5879 1 18 . 1 1 69 69 ASN CA C 69 50.749 50.749 52.914 -2.165 19511 5880 1 18 . 1 1 69 69 ASN CB C 69 36.737 36.737 39.914 -3.177 19511 5881 1 18 . 1 1 69 69 ASN H H 69 8.166 8.166 7.973 0.193 19511 5882 1 18 . 1 1 70 70 VAL N N 70 119.471 119.471 119.832 -0.361 19511 5883 1 18 . 1 1 70 70 VAL HA H 70 4.265 4.265 4.229 0.036 19511 5884 1 18 . 1 1 70 70 VAL CA C 70 59.765 59.765 62.148 -2.383 19511 5885 1 18 . 1 1 70 70 VAL CB C 70 30.482 30.482 33.850 -3.368 19511 5886 1 18 . 1 1 70 70 VAL H H 70 8.087 8.087 8.336 -0.249 19511 5887 1 19 . 1 1 3 3 PRO HA H 3 4.499 4.499 4.540 -0.041 19511 5888 1 19 . 1 1 3 3 PRO CA C 3 61.077 61.077 62.876 -1.799 19511 5889 1 19 . 1 1 3 3 PRO CB C 3 29.635 29.635 32.470 -2.835 19511 5890 1 19 . 1 1 4 4 GLY N N 4 109.482 109.482 105.085 4.397 19511 5891 1 19 . 1 1 4 4 GLY CA C 4 42.963 42.963 44.920 -1.958 19511 5892 1 19 . 1 1 4 4 GLY H H 4 8.521 8.521 8.978 -0.457 19511 5893 1 19 . 1 1 5 5 GLY N N 5 108.605 108.605 108.141 0.464 19511 5894 1 19 . 1 1 5 5 GLY CA C 5 42.869 42.869 44.413 -1.544 19511 5895 1 19 . 1 1 5 5 GLY H H 5 8.245 8.245 9.128 -0.883 19511 5896 1 19 . 1 1 6 6 LYS N N 6 120.900 120.900 120.419 0.481 19511 5897 1 19 . 1 1 6 6 LYS HA H 6 4.454 4.454 4.657 -0.203 19511 5898 1 19 . 1 1 6 6 LYS CA C 6 53.594 53.594 55.711 -2.116 19511 5899 1 19 . 1 1 6 6 LYS CB C 6 31.034 31.034 33.511 -2.477 19511 5900 1 19 . 1 1 6 6 LYS H H 6 8.201 8.201 8.549 -0.348 19511 5901 1 19 . 1 1 7 7 SER N N 7 118.055 118.055 117.928 0.127 19511 5902 1 19 . 1 1 7 7 SER HA H 7 4.533 4.533 4.780 -0.247 19511 5903 1 19 . 1 1 7 7 SER CA C 7 55.637 55.637 57.668 -2.031 19511 5904 1 19 . 1 1 7 7 SER CB C 7 61.343 61.343 63.860 -2.517 19511 5905 1 19 . 1 1 7 7 SER H H 7 8.425 8.425 8.549 -0.124 19511 5906 1 19 . 1 1 8 8 ARG HA H 8 4.547 4.547 4.603 -0.056 19511 5907 1 19 . 1 1 8 8 ARG CA C 8 53.146 53.146 55.404 -2.258 19511 5908 1 19 . 1 1 8 8 ARG CB C 8 29.317 29.317 32.056 -2.739 19511 5909 1 19 . 1 1 9 9 ARG N N 9 124.954 124.954 123.108 1.846 19511 5910 1 19 . 1 1 9 9 ARG HA H 9 4.321 4.321 4.324 -0.003 19511 5911 1 19 . 1 1 9 9 ARG CA C 9 54.049 54.049 56.063 -2.014 19511 5912 1 19 . 1 1 9 9 ARG CB C 9 28.705 28.705 30.819 -2.114 19511 5913 1 19 . 1 1 9 9 ARG H H 9 9.037 9.037 8.431 0.606 19511 5914 1 19 . 1 1 10 10 ARG N N 10 122.493 122.493 123.249 -0.756 19511 5915 1 19 . 1 1 10 10 ARG HA H 10 4.322 4.322 4.458 -0.136 19511 5916 1 19 . 1 1 10 10 ARG CA C 10 53.971 53.971 56.038 -2.067 19511 5917 1 19 . 1 1 10 10 ARG CB C 10 28.386 28.386 30.655 -2.269 19511 5918 1 19 . 1 1 10 10 ARG H H 10 8.350 8.350 8.446 -0.096 19511 5919 1 19 . 1 1 11 11 ARG N N 11 123.361 123.361 126.242 -2.881 19511 5920 1 19 . 1 1 11 11 ARG HA H 11 4.312 4.312 4.504 -0.192 19511 5921 1 19 . 1 1 11 11 ARG CA C 11 53.146 53.146 56.160 -3.014 19511 5922 1 19 . 1 1 11 11 ARG CB C 11 30.162 30.162 29.976 0.186 19511 5923 1 19 . 1 1 11 11 ARG H H 11 8.508 8.508 8.721 -0.213 19511 5924 1 19 . 1 1 12 12 THR N N 12 126.287 126.287 113.242 13.045 19511 5925 1 19 . 1 1 12 12 THR HA H 12 3.790 3.790 4.344 -0.554 19511 5926 1 19 . 1 1 12 12 THR CA C 12 62.948 62.948 60.444 2.504 19511 5927 1 19 . 1 1 12 12 THR CB C 12 66.854 66.854 71.902 -5.048 19511 5928 1 19 . 1 1 12 12 THR H H 12 8.068 8.068 7.485 0.583 19511 5929 1 19 . 1 1 13 13 ALA N N 13 129.745 129.745 124.735 5.010 19511 5930 1 19 . 1 1 13 13 ALA HA H 13 4.664 4.664 4.250 0.414 19511 5931 1 19 . 1 1 13 13 ALA CA C 13 47.602 47.602 52.546 -4.944 19511 5932 1 19 . 1 1 13 13 ALA CB C 13 16.412 16.412 18.398 -1.986 19511 5933 1 19 . 1 1 13 13 ALA H H 13 8.317 8.317 8.029 0.288 19511 5934 1 19 . 1 1 14 14 PHE N N 14 124.589 124.589 116.738 7.851 19511 5935 1 19 . 1 1 14 14 PHE HA H 14 4.708 4.708 4.808 -0.100 19511 5936 1 19 . 1 1 14 14 PHE CA C 14 56.288 56.288 55.259 1.029 19511 5937 1 19 . 1 1 14 14 PHE CB C 14 38.229 38.229 40.847 -2.618 19511 5938 1 19 . 1 1 14 14 PHE H H 14 8.594 8.594 7.355 1.239 19511 5939 1 19 . 1 1 15 15 THR N N 15 113.746 113.746 109.202 4.544 19511 5940 1 19 . 1 1 15 15 THR HA H 15 4.575 4.575 4.802 -0.227 19511 5941 1 19 . 1 1 15 15 THR CA C 15 58.027 58.027 59.452 -1.425 19511 5942 1 19 . 1 1 15 15 THR CB C 15 68.256 68.256 71.644 -3.388 19511 5943 1 19 . 1 1 15 15 THR H H 15 9.053 9.053 8.190 0.863 19511 5944 1 19 . 1 1 16 16 SER N N 16 116.624 116.624 117.132 -0.508 19511 5945 1 19 . 1 1 16 16 SER HA H 16 4.713 4.713 4.233 0.480 19511 5946 1 19 . 1 1 16 16 SER CA C 16 59.750 59.750 60.792 -1.042 19511 5947 1 19 . 1 1 16 16 SER CB C 16 59.639 59.639 62.908 -3.269 19511 5948 1 19 . 1 1 16 16 SER H H 16 9.092 9.092 8.665 0.427 19511 5949 1 19 . 1 1 17 17 GLU N N 17 120.287 120.287 120.894 -0.607 19511 5950 1 19 . 1 1 17 17 GLU HA H 17 4.081 4.081 4.101 -0.021 19511 5951 1 19 . 1 1 17 17 GLU CA C 17 57.565 57.565 58.599 -1.034 19511 5952 1 19 . 1 1 17 17 GLU CB C 17 26.998 26.998 29.034 -2.036 19511 5953 1 19 . 1 1 17 17 GLU H H 17 8.560 8.560 8.478 0.082 19511 5954 1 19 . 1 1 18 18 GLN N N 18 118.169 118.169 119.050 -0.881 19511 5955 1 19 . 1 1 18 18 GLN HA H 18 3.898 3.898 4.057 -0.159 19511 5956 1 19 . 1 1 18 18 GLN CA C 18 56.609 56.609 57.830 -1.220 19511 5957 1 19 . 1 1 18 18 GLN CB C 18 32.647 32.647 28.637 4.010 19511 5958 1 19 . 1 1 18 18 GLN H H 18 7.769 7.769 7.733 0.036 19511 5959 1 19 . 1 1 19 19 LEU N N 19 116.929 116.929 119.271 -2.342 19511 5960 1 19 . 1 1 19 19 LEU HA H 19 3.655 3.655 4.142 -0.487 19511 5961 1 19 . 1 1 19 19 LEU CA C 19 55.390 55.390 55.602 -0.212 19511 5962 1 19 . 1 1 19 19 LEU CB C 19 39.414 39.414 41.695 -2.281 19511 5963 1 19 . 1 1 19 19 LEU H H 19 8.227 8.227 7.620 0.607 19511 5964 1 19 . 1 1 20 20 LEU N N 20 118.864 118.864 121.753 -2.889 19511 5965 1 19 . 1 1 20 20 LEU HA H 20 4.034 4.034 4.005 0.029 19511 5966 1 19 . 1 1 20 20 LEU CA C 20 55.765 55.765 58.251 -2.486 19511 5967 1 19 . 1 1 20 20 LEU CB C 20 39.758 39.758 41.968 -2.210 19511 5968 1 19 . 1 1 20 20 LEU H H 20 8.037 8.037 7.538 0.499 19511 5969 1 19 . 1 1 21 21 GLU N N 21 118.147 118.147 118.323 -0.176 19511 5970 1 19 . 1 1 21 21 GLU HA H 21 4.159 4.159 3.928 0.231 19511 5971 1 19 . 1 1 21 21 GLU CA C 21 56.062 56.062 59.306 -3.244 19511 5972 1 19 . 1 1 21 21 GLU CB C 21 27.576 27.576 29.006 -1.430 19511 5973 1 19 . 1 1 21 21 GLU H H 21 7.491 7.491 8.143 -0.652 19511 5974 1 19 . 1 1 22 22 LEU N N 22 122.316 122.316 119.828 2.488 19511 5975 1 19 . 1 1 22 22 LEU HA H 22 3.534 3.534 3.795 -0.261 19511 5976 1 19 . 1 1 22 22 LEU CA C 22 56.091 56.091 57.681 -1.590 19511 5977 1 19 . 1 1 22 22 LEU CB C 22 35.557 35.557 41.646 -6.089 19511 5978 1 19 . 1 1 22 22 LEU H H 22 8.254 8.254 7.837 0.417 19511 5979 1 19 . 1 1 23 23 GLU N N 23 117.645 117.645 116.699 0.946 19511 5980 1 19 . 1 1 23 23 GLU HA H 23 4.319 4.319 4.255 0.064 19511 5981 1 19 . 1 1 23 23 GLU CA C 23 56.627 56.627 58.833 -2.206 19511 5982 1 19 . 1 1 23 23 GLU CB C 23 26.800 26.800 29.875 -3.075 19511 5983 1 19 . 1 1 23 23 GLU H H 23 8.084 8.084 7.880 0.204 19511 5984 1 19 . 1 1 24 24 LYS N N 24 120.989 120.989 121.459 -0.470 19511 5985 1 19 . 1 1 24 24 LYS HA H 24 4.088 4.088 4.070 0.018 19511 5986 1 19 . 1 1 24 24 LYS CA C 24 57.392 57.392 59.390 -1.998 19511 5987 1 19 . 1 1 24 24 LYS H H 24 7.884 7.884 7.987 -0.103 19511 5988 1 19 . 1 1 25 25 GLU N N 25 119.686 119.686 118.838 0.848 19511 5989 1 19 . 1 1 25 25 GLU HA H 25 4.325 4.325 4.273 0.052 19511 5990 1 19 . 1 1 25 25 GLU CA C 25 56.529 56.529 57.570 -1.041 19511 5991 1 19 . 1 1 25 25 GLU CB C 25 26.344 26.344 29.286 -2.942 19511 5992 1 19 . 1 1 25 25 GLU H H 25 8.179 8.179 7.909 0.270 19511 5993 1 19 . 1 1 26 26 PHE N N 26 121.229 121.229 117.818 3.411 19511 5994 1 19 . 1 1 26 26 PHE HA H 26 4.769 4.769 4.664 0.105 19511 5995 1 19 . 1 1 26 26 PHE CA C 26 57.746 57.746 58.557 -0.811 19511 5996 1 19 . 1 1 26 26 PHE CB C 26 41.554 41.554 39.220 2.334 19511 5997 1 19 . 1 1 26 26 PHE H H 26 8.896 8.896 8.106 0.790 19511 5998 1 19 . 1 1 27 27 HIS N N 27 115.789 115.789 118.951 -3.162 19511 5999 1 19 . 1 1 27 27 HIS HA H 27 4.069 4.069 4.638 -0.569 19511 6000 1 19 . 1 1 27 27 HIS CA C 27 56.598 56.598 59.101 -2.503 19511 6001 1 19 . 1 1 27 27 HIS CB C 27 27.235 27.235 31.138 -3.903 19511 6002 1 19 . 1 1 27 27 HIS H H 27 8.110 8.110 7.923 0.187 19511 6003 1 19 . 1 1 28 28 CYS N N 28 115.311 115.311 116.886 -1.575 19511 6004 1 19 . 1 1 28 28 CYS HA H 28 4.553 4.553 4.539 0.014 19511 6005 1 19 . 1 1 28 28 CYS CA C 28 54.270 54.270 59.316 -5.046 19511 6006 1 19 . 1 1 28 28 CYS CB C 28 39.551 39.551 29.010 10.541 19511 6007 1 19 . 1 1 28 28 CYS H H 28 7.470 7.470 8.469 -0.999 19511 6008 1 19 . 1 1 29 29 LYS N N 29 122.013 122.013 119.021 2.992 19511 6009 1 19 . 1 1 29 29 LYS HA H 29 4.412 4.412 4.113 0.299 19511 6010 1 19 . 1 1 29 29 LYS CA C 29 53.840 53.840 55.168 -1.328 19511 6011 1 19 . 1 1 29 29 LYS CB C 29 32.448 32.448 32.866 -0.418 19511 6012 1 19 . 1 1 29 29 LYS H H 29 8.648 8.648 7.401 1.247 19511 6013 1 19 . 1 1 30 30 LYS N N 30 117.519 117.519 124.994 -7.475 19511 6014 1 19 . 1 1 30 30 LYS HA H 30 3.837 3.837 3.996 -0.159 19511 6015 1 19 . 1 1 30 30 LYS CA C 30 53.748 53.748 56.106 -2.358 19511 6016 1 19 . 1 1 30 30 LYS CB C 30 30.195 30.195 30.407 -0.212 19511 6017 1 19 . 1 1 30 30 LYS H H 30 7.887 7.887 8.450 -0.563 19511 6018 1 19 . 1 1 31 31 TYR N N 31 112.770 112.770 115.181 -2.411 19511 6019 1 19 . 1 1 31 31 TYR HA H 31 4.591 4.591 4.471 0.120 19511 6020 1 19 . 1 1 31 31 TYR CA C 31 53.415 53.415 56.172 -2.757 19511 6021 1 19 . 1 1 31 31 TYR CB C 31 39.905 39.905 38.372 1.533 19511 6022 1 19 . 1 1 31 31 TYR H H 31 7.368 7.368 7.161 0.207 19511 6023 1 19 . 1 1 32 32 LEU N N 32 120.286 120.286 125.858 -5.572 19511 6024 1 19 . 1 1 32 32 LEU HA H 32 4.766 4.766 4.298 0.468 19511 6025 1 19 . 1 1 32 32 LEU CA C 32 50.290 50.290 55.279 -4.989 19511 6026 1 19 . 1 1 32 32 LEU CB C 32 42.846 42.846 41.770 1.076 19511 6027 1 19 . 1 1 32 32 LEU H H 32 8.442 8.442 8.245 0.197 19511 6028 1 19 . 1 1 33 33 SER N N 33 120.490 120.490 117.222 3.268 19511 6029 1 19 . 1 1 33 33 SER HA H 33 4.045 4.045 4.757 -0.712 19511 6030 1 19 . 1 1 33 33 SER CA C 33 54.957 54.957 56.924 -1.967 19511 6031 1 19 . 1 1 33 33 SER CB C 33 63.875 63.875 65.683 -1.808 19511 6032 1 19 . 1 1 33 33 SER H H 33 9.439 9.439 8.277 1.161 19511 6033 1 19 . 1 1 34 34 LEU N N 34 121.725 121.725 122.456 -0.731 19511 6034 1 19 . 1 1 34 34 LEU HA H 34 4.059 4.059 4.051 0.008 19511 6035 1 19 . 1 1 34 34 LEU CA C 34 56.683 56.683 56.029 0.654 19511 6036 1 19 . 1 1 34 34 LEU CB C 34 38.920 38.920 41.182 -2.262 19511 6037 1 19 . 1 1 34 34 LEU H H 34 8.886 8.886 8.863 0.023 19511 6038 1 19 . 1 1 35 35 THR N N 35 113.779 113.779 109.876 3.903 19511 6039 1 19 . 1 1 35 35 THR HA H 35 4.047 4.047 3.896 0.151 19511 6040 1 19 . 1 1 35 35 THR CA C 35 63.322 63.322 63.482 -0.160 19511 6041 1 19 . 1 1 35 35 THR CB C 35 65.973 65.973 68.203 -2.230 19511 6042 1 19 . 1 1 35 35 THR H H 35 8.142 8.142 8.092 0.050 19511 6043 1 19 . 1 1 36 36 GLU N N 36 122.728 122.728 119.743 2.985 19511 6044 1 19 . 1 1 36 36 GLU HA H 36 4.036 4.036 3.989 0.047 19511 6045 1 19 . 1 1 36 36 GLU CA C 36 56.454 56.454 59.644 -3.190 19511 6046 1 19 . 1 1 36 36 GLU CB C 36 27.949 27.949 29.283 -1.334 19511 6047 1 19 . 1 1 36 36 GLU H H 36 7.658 7.658 8.365 -0.707 19511 6048 1 19 . 1 1 37 37 ARG N N 37 118.862 118.862 119.118 -0.256 19511 6049 1 19 . 1 1 37 37 ARG HA H 37 3.842 3.842 4.179 -0.337 19511 6050 1 19 . 1 1 37 37 ARG CA C 37 57.537 57.537 59.100 -1.563 19511 6051 1 19 . 1 1 37 37 ARG CB C 37 28.496 28.496 29.777 -1.281 19511 6052 1 19 . 1 1 37 37 ARG H H 37 8.762 8.762 8.172 0.590 19511 6053 1 19 . 1 1 38 38 SER N N 38 113.126 113.126 114.655 -1.529 19511 6054 1 19 . 1 1 38 38 SER HA H 38 4.039 4.039 4.474 -0.435 19511 6055 1 19 . 1 1 38 38 SER CA C 38 60.349 60.349 59.297 1.052 19511 6056 1 19 . 1 1 38 38 SER CB C 38 65.383 65.383 63.108 2.275 19511 6057 1 19 . 1 1 38 38 SER H H 38 7.989 7.989 8.155 -0.166 19511 6058 1 19 . 1 1 39 39 GLN N N 39 121.461 121.461 122.733 -1.272 19511 6059 1 19 . 1 1 39 39 GLN HA H 39 4.176 4.176 4.040 0.136 19511 6060 1 19 . 1 1 39 39 GLN CA C 39 56.766 56.766 59.411 -2.645 19511 6061 1 19 . 1 1 39 39 GLN CB C 39 25.985 25.985 28.861 -2.876 19511 6062 1 19 . 1 1 39 39 GLN H H 39 8.017 8.017 7.782 0.235 19511 6063 1 19 . 1 1 40 40 ILE N N 40 121.303 121.303 119.325 1.978 19511 6064 1 19 . 1 1 40 40 ILE HA H 40 3.943 3.943 3.597 0.346 19511 6065 1 19 . 1 1 40 40 ILE CA C 40 62.170 62.170 65.007 -2.837 19511 6066 1 19 . 1 1 40 40 ILE CB C 40 35.984 35.984 37.088 -1.104 19511 6067 1 19 . 1 1 40 40 ILE H H 40 8.290 8.290 7.530 0.760 19511 6068 1 19 . 1 1 41 41 ALA N N 41 121.610 121.610 120.201 1.409 19511 6069 1 19 . 1 1 41 41 ALA HA H 41 3.757 3.757 3.932 -0.175 19511 6070 1 19 . 1 1 41 41 ALA CA C 41 53.812 53.812 54.873 -1.061 19511 6071 1 19 . 1 1 41 41 ALA CB C 41 15.288 15.288 18.263 -2.975 19511 6072 1 19 . 1 1 41 41 ALA H H 41 8.201 8.201 7.710 0.491 19511 6073 1 19 . 1 1 42 42 HIS N N 42 114.498 114.498 115.748 -1.250 19511 6074 1 19 . 1 1 42 42 HIS HA H 42 3.751 3.751 4.511 -0.760 19511 6075 1 19 . 1 1 42 42 HIS CA C 42 53.713 53.713 57.044 -3.331 19511 6076 1 19 . 1 1 42 42 HIS CB C 42 25.282 25.282 31.078 -5.796 19511 6077 1 19 . 1 1 42 42 HIS H H 42 8.136 8.136 7.817 0.319 19511 6078 1 19 . 1 1 43 43 ALA N N 43 121.763 121.763 121.670 0.093 19511 6079 1 19 . 1 1 43 43 ALA HA H 43 4.118 4.118 4.225 -0.107 19511 6080 1 19 . 1 1 43 43 ALA CA C 43 52.521 52.521 53.993 -1.472 19511 6081 1 19 . 1 1 43 43 ALA CB C 43 16.046 16.046 19.409 -3.363 19511 6082 1 19 . 1 1 43 43 ALA H H 43 8.181 8.181 8.363 -0.182 19511 6083 1 19 . 1 1 44 44 LEU N N 44 114.063 114.063 117.910 -3.847 19511 6084 1 19 . 1 1 44 44 LEU HA H 44 4.416 4.416 4.240 0.176 19511 6085 1 19 . 1 1 44 44 LEU CA C 44 51.814 51.814 56.159 -4.345 19511 6086 1 19 . 1 1 44 44 LEU CB C 44 40.181 40.181 43.346 -3.165 19511 6087 1 19 . 1 1 44 44 LEU H H 44 8.016 8.016 7.756 0.260 19511 6088 1 19 . 1 1 45 45 LYS N N 45 116.933 116.933 114.871 2.062 19511 6089 1 19 . 1 1 45 45 LYS HA H 45 4.026 4.026 4.381 -0.355 19511 6090 1 19 . 1 1 45 45 LYS CA C 45 54.887 54.887 56.317 -1.430 19511 6091 1 19 . 1 1 45 45 LYS CB C 45 26.031 26.031 33.484 -7.453 19511 6092 1 19 . 1 1 45 45 LYS H H 45 7.867 7.867 8.115 -0.248 19511 6093 1 19 . 1 1 46 46 LEU N N 46 119.776 119.776 120.707 -0.931 19511 6094 1 19 . 1 1 46 46 LEU HA H 46 4.937 4.937 4.570 0.367 19511 6095 1 19 . 1 1 46 46 LEU CA C 46 49.983 49.983 54.300 -4.317 19511 6096 1 19 . 1 1 46 46 LEU CB C 46 45.389 45.389 43.018 2.371 19511 6097 1 19 . 1 1 46 46 LEU H H 46 8.517 8.517 7.730 0.787 19511 6098 1 19 . 1 1 47 47 SER N N 47 114.945 114.945 112.562 2.383 19511 6099 1 19 . 1 1 47 47 SER HA H 47 4.856 4.856 4.680 0.176 19511 6100 1 19 . 1 1 47 47 SER CA C 47 54.112 54.112 55.813 -1.701 19511 6101 1 19 . 1 1 47 47 SER CB C 47 62.635 62.635 64.498 -1.863 19511 6102 1 19 . 1 1 47 47 SER H H 47 9.225 9.225 8.137 1.088 19511 6103 1 19 . 1 1 48 48 GLU N N 48 122.216 122.216 126.599 -4.383 19511 6104 1 19 . 1 1 48 48 GLU HA H 48 3.778 3.778 4.083 -0.305 19511 6105 1 19 . 1 1 48 48 GLU CA C 48 58.893 58.893 59.525 -0.632 19511 6106 1 19 . 1 1 48 48 GLU CB C 48 27.002 27.002 29.605 -2.603 19511 6107 1 19 . 1 1 48 48 GLU H H 48 9.278 9.278 8.994 0.284 19511 6108 1 19 . 1 1 49 49 VAL N N 49 118.235 118.235 119.372 -1.137 19511 6109 1 19 . 1 1 49 49 VAL HA H 49 3.854 3.854 3.799 0.055 19511 6110 1 19 . 1 1 49 49 VAL CA C 49 63.808 63.808 66.035 -2.227 19511 6111 1 19 . 1 1 49 49 VAL CB C 49 29.556 29.556 31.370 -1.814 19511 6112 1 19 . 1 1 49 49 VAL H H 49 7.993 7.993 7.867 0.126 19511 6113 1 19 . 1 1 50 50 GLN N N 50 119.879 119.879 118.229 1.650 19511 6114 1 19 . 1 1 50 50 GLN HA H 50 4.296 4.296 4.223 0.073 19511 6115 1 19 . 1 1 50 50 GLN CA C 50 57.495 57.495 58.094 -0.599 19511 6116 1 19 . 1 1 50 50 GLN CB C 50 27.381 27.381 28.623 -1.242 19511 6117 1 19 . 1 1 50 50 GLN H H 50 7.705 7.705 7.644 0.061 19511 6118 1 19 . 1 1 51 51 VAL N N 51 117.905 117.905 121.096 -3.191 19511 6119 1 19 . 1 1 51 51 VAL HA H 51 3.818 3.818 3.622 0.196 19511 6120 1 19 . 1 1 51 51 VAL CA C 51 64.839 64.839 66.437 -1.598 19511 6121 1 19 . 1 1 51 51 VAL CB C 51 29.968 29.968 31.354 -1.385 19511 6122 1 19 . 1 1 51 51 VAL H H 51 7.629 7.629 8.238 -0.609 19511 6123 1 19 . 1 1 52 52 LYS N N 52 120.669 120.669 120.281 0.388 19511 6124 1 19 . 1 1 52 52 LYS HA H 52 4.168 4.168 4.322 -0.154 19511 6125 1 19 . 1 1 52 52 LYS CA C 52 57.489 57.489 59.944 -2.455 19511 6126 1 19 . 1 1 52 52 LYS CB C 52 30.473 30.473 32.569 -2.096 19511 6127 1 19 . 1 1 52 52 LYS H H 52 8.802 8.802 7.743 1.059 19511 6128 1 19 . 1 1 53 53 ILE N N 53 120.041 120.041 116.992 3.049 19511 6129 1 19 . 1 1 53 53 ILE HA H 53 3.710 3.710 4.024 -0.314 19511 6130 1 19 . 1 1 53 53 ILE CA C 53 61.549 61.549 63.710 -2.161 19511 6131 1 19 . 1 1 53 53 ILE CB C 53 35.022 35.022 37.923 -2.901 19511 6132 1 19 . 1 1 53 53 ILE H H 53 8.711 8.711 7.646 1.065 19511 6133 1 19 . 1 1 54 54 TRP N N 54 123.292 123.292 122.262 1.030 19511 6134 1 19 . 1 1 54 54 TRP HA H 54 4.731 4.731 4.113 0.618 19511 6135 1 19 . 1 1 54 54 TRP CA C 54 60.105 60.105 62.156 -2.051 19511 6136 1 19 . 1 1 54 54 TRP CB C 54 26.108 26.108 29.249 -3.141 19511 6137 1 19 . 1 1 54 54 TRP H H 54 8.467 8.467 7.684 0.783 19511 6138 1 19 . 1 1 55 55 PHE N N 55 118.279 118.279 115.456 2.823 19511 6139 1 19 . 1 1 55 55 PHE HA H 55 3.801 3.801 4.373 -0.572 19511 6140 1 19 . 1 1 55 55 PHE CA C 55 61.097 61.097 60.532 0.565 19511 6141 1 19 . 1 1 55 55 PHE CB C 55 36.812 36.812 38.458 -1.646 19511 6142 1 19 . 1 1 55 55 PHE H H 55 8.923 8.923 7.168 1.755 19511 6143 1 19 . 1 1 56 56 GLN N N 56 117.830 117.830 118.310 -0.480 19511 6144 1 19 . 1 1 56 56 GLN HA H 56 4.036 4.036 4.102 -0.066 19511 6145 1 19 . 1 1 56 56 GLN CA C 56 57.329 57.329 58.393 -1.064 19511 6146 1 19 . 1 1 56 56 GLN CB C 56 25.312 25.312 28.817 -3.505 19511 6147 1 19 . 1 1 56 56 GLN H H 56 7.994 7.994 7.810 0.184 19511 6148 1 19 . 1 1 57 57 ASN N N 57 119.840 119.840 118.871 0.969 19511 6149 1 19 . 1 1 57 57 ASN HA H 57 4.632 4.632 4.391 0.241 19511 6150 1 19 . 1 1 57 57 ASN CA C 57 55.637 55.637 55.719 -0.082 19511 6151 1 19 . 1 1 57 57 ASN CB C 57 35.824 35.824 38.460 -2.636 19511 6152 1 19 . 1 1 57 57 ASN H H 57 8.715 8.715 7.722 0.993 19511 6153 1 19 . 1 1 58 58 ARG N N 58 125.366 125.366 117.960 7.406 19511 6154 1 19 . 1 1 58 58 ARG HA H 58 3.656 3.656 4.186 -0.530 19511 6155 1 19 . 1 1 58 58 ARG CA C 58 53.865 53.865 56.102 -2.237 19511 6156 1 19 . 1 1 58 58 ARG CB C 58 25.436 25.436 28.769 -3.333 19511 6157 1 19 . 1 1 58 58 ARG H H 58 8.806 8.806 7.593 1.213 19511 6158 1 19 . 1 1 59 59 ARG N N 59 120.172 120.172 117.454 2.718 19511 6159 1 19 . 1 1 59 59 ARG CB C 59 29.582 29.582 31.127 -1.545 19511 6160 1 19 . 1 1 59 59 ARG H H 59 8.345 8.345 7.766 0.579 19511 6161 1 19 . 1 1 60 60 ALA N N 60 122.418 122.418 123.006 -0.588 19511 6162 1 19 . 1 1 60 60 ALA HA H 60 4.420 4.420 4.313 0.107 19511 6163 1 19 . 1 1 60 60 ALA CA C 60 53.005 53.005 54.348 -1.343 19511 6164 1 19 . 1 1 60 60 ALA CB C 60 15.567 15.567 18.812 -3.245 19511 6165 1 19 . 1 1 60 60 ALA H H 60 7.587 7.587 7.513 0.074 19511 6166 1 19 . 1 1 61 61 LYS N N 61 119.912 119.912 119.611 0.301 19511 6167 1 19 . 1 1 61 61 LYS HA H 61 4.003 4.003 3.843 0.160 19511 6168 1 19 . 1 1 61 61 LYS CA C 61 57.164 57.164 59.380 -2.216 19511 6169 1 19 . 1 1 61 61 LYS CB C 61 30.390 30.390 31.631 -1.241 19511 6170 1 19 . 1 1 61 61 LYS H H 61 7.856 7.856 8.460 -0.604 19511 6171 1 19 . 1 1 62 62 TRP N N 62 119.782 119.782 117.059 2.723 19511 6172 1 19 . 1 1 62 62 TRP HA H 62 4.535 4.535 4.671 -0.136 19511 6173 1 19 . 1 1 62 62 TRP CA C 62 57.359 57.359 58.518 -1.159 19511 6174 1 19 . 1 1 62 62 TRP CB C 62 27.020 27.020 28.738 -1.718 19511 6175 1 19 . 1 1 62 62 TRP H H 62 8.265 8.265 7.645 0.620 19511 6176 1 19 . 1 1 63 63 LYS N N 63 117.139 117.139 120.602 -3.463 19511 6177 1 19 . 1 1 63 63 LYS HA H 63 3.713 3.713 4.032 -0.319 19511 6178 1 19 . 1 1 63 63 LYS CA C 63 56.518 56.518 59.483 -2.965 19511 6179 1 19 . 1 1 63 63 LYS CB C 63 30.224 30.224 31.980 -1.756 19511 6180 1 19 . 1 1 63 63 LYS H H 63 8.262 8.262 8.130 0.132 19511 6181 1 19 . 1 1 64 64 ARG N N 64 118.868 118.868 118.585 0.283 19511 6182 1 19 . 1 1 64 64 ARG HA H 64 4.192 4.192 4.042 0.150 19511 6183 1 19 . 1 1 64 64 ARG CA C 64 56.249 56.249 58.979 -2.730 19511 6184 1 19 . 1 1 64 64 ARG CB C 64 28.227 28.227 29.933 -1.706 19511 6185 1 19 . 1 1 64 64 ARG H H 64 7.737 7.737 8.259 -0.522 19511 6186 1 19 . 1 1 65 65 ILE N N 65 119.744 119.744 119.916 -0.172 19511 6187 1 19 . 1 1 65 65 ILE HA H 65 4.012 4.012 3.902 0.110 19511 6188 1 19 . 1 1 65 65 ILE CA C 65 60.187 60.187 64.341 -4.154 19511 6189 1 19 . 1 1 65 65 ILE CB C 65 35.588 35.588 37.981 -2.393 19511 6190 1 19 . 1 1 65 65 ILE H H 65 8.010 8.010 7.696 0.314 19511 6191 1 19 . 1 1 66 66 LYS N N 66 122.316 122.316 119.496 2.820 19511 6192 1 19 . 1 1 66 66 LYS HA H 66 4.106 4.106 4.363 -0.257 19511 6193 1 19 . 1 1 66 66 LYS CA C 66 54.657 54.657 55.255 -0.598 19511 6194 1 19 . 1 1 66 66 LYS CB C 66 29.634 29.634 32.323 -2.689 19511 6195 1 19 . 1 1 66 66 LYS H H 66 8.055 8.055 8.097 -0.042 19511 6196 1 19 . 1 1 67 67 ALA N N 67 122.520 122.520 123.079 -0.559 19511 6197 1 19 . 1 1 67 67 ALA HA H 67 4.291 4.291 4.196 0.095 19511 6198 1 19 . 1 1 67 67 ALA CA C 67 50.463 50.463 52.981 -2.518 19511 6199 1 19 . 1 1 67 67 ALA CB C 67 16.535 16.535 19.145 -2.610 19511 6200 1 19 . 1 1 67 67 ALA H H 67 7.846 7.846 7.123 0.723 19511 6201 1 19 . 1 1 68 68 GLY N N 68 106.371 106.371 109.359 -2.988 19511 6202 1 19 . 1 1 68 68 GLY CA C 68 42.991 42.991 45.126 -2.135 19511 6203 1 19 . 1 1 68 68 GLY H H 68 8.053 8.053 8.615 -0.562 19511 6204 1 19 . 1 1 69 69 ASN N N 69 118.766 118.766 122.239 -3.473 19511 6205 1 19 . 1 1 69 69 ASN HA H 69 4.832 4.832 4.934 -0.102 19511 6206 1 19 . 1 1 69 69 ASN CA C 69 50.749 50.749 53.272 -2.523 19511 6207 1 19 . 1 1 69 69 ASN CB C 69 36.737 36.737 39.236 -2.499 19511 6208 1 19 . 1 1 69 69 ASN H H 69 8.166 8.166 8.704 -0.538 19511 6209 1 19 . 1 1 70 70 VAL N N 70 119.471 119.471 121.922 -2.451 19511 6210 1 19 . 1 1 70 70 VAL HA H 70 4.265 4.265 4.434 -0.169 19511 6211 1 19 . 1 1 70 70 VAL CA C 70 59.765 59.765 61.699 -1.934 19511 6212 1 19 . 1 1 70 70 VAL CB C 70 30.482 30.482 32.978 -2.497 19511 6213 1 19 . 1 1 70 70 VAL H H 70 8.087 8.087 7.881 0.206 19511 6214 1 20 . 1 1 3 3 PRO HA H 3 4.499 4.499 4.377 0.122 19511 6215 1 20 . 1 1 3 3 PRO CA C 3 61.077 61.077 62.989 -1.912 19511 6216 1 20 . 1 1 3 3 PRO CB C 3 29.635 29.635 31.920 -2.285 19511 6217 1 20 . 1 1 4 4 GLY N N 4 109.482 109.482 112.182 -2.700 19511 6218 1 20 . 1 1 4 4 GLY CA C 4 42.963 42.963 45.128 -2.165 19511 6219 1 20 . 1 1 4 4 GLY H H 4 8.521 8.521 8.435 0.086 19511 6220 1 20 . 1 1 5 5 GLY N N 5 108.605 108.605 108.780 -0.175 19511 6221 1 20 . 1 1 5 5 GLY CA C 5 42.869 42.869 44.668 -1.799 19511 6222 1 20 . 1 1 5 5 GLY H H 5 8.245 8.245 8.191 0.054 19511 6223 1 20 . 1 1 6 6 LYS N N 6 120.900 120.900 122.207 -1.307 19511 6224 1 20 . 1 1 6 6 LYS HA H 6 4.454 4.454 4.631 -0.177 19511 6225 1 20 . 1 1 6 6 LYS CA C 6 53.594 53.594 55.794 -2.200 19511 6226 1 20 . 1 1 6 6 LYS CB C 6 31.034 31.034 33.214 -2.180 19511 6227 1 20 . 1 1 6 6 LYS H H 6 8.201 8.201 8.526 -0.325 19511 6228 1 20 . 1 1 7 7 SER N N 7 118.055 118.055 117.352 0.703 19511 6229 1 20 . 1 1 7 7 SER HA H 7 4.533 4.533 4.760 -0.227 19511 6230 1 20 . 1 1 7 7 SER CA C 7 55.637 55.637 57.426 -1.789 19511 6231 1 20 . 1 1 7 7 SER CB C 7 61.343 61.343 64.019 -2.675 19511 6232 1 20 . 1 1 7 7 SER H H 7 8.425 8.425 8.438 -0.013 19511 6233 1 20 . 1 1 8 8 ARG HA H 8 4.547 4.547 4.302 0.245 19511 6234 1 20 . 1 1 8 8 ARG CA C 8 53.146 53.146 56.118 -2.972 19511 6235 1 20 . 1 1 8 8 ARG CB C 8 29.317 29.317 29.012 0.305 19511 6236 1 20 . 1 1 9 9 ARG N N 9 124.954 124.954 121.271 3.683 19511 6237 1 20 . 1 1 9 9 ARG HA H 9 4.321 4.321 4.234 0.087 19511 6238 1 20 . 1 1 9 9 ARG CA C 9 54.049 54.049 56.160 -2.111 19511 6239 1 20 . 1 1 9 9 ARG CB C 9 28.705 28.705 29.974 -1.269 19511 6240 1 20 . 1 1 9 9 ARG H H 9 9.037 9.037 7.846 1.191 19511 6241 1 20 . 1 1 10 10 ARG N N 10 122.493 122.493 124.850 -2.357 19511 6242 1 20 . 1 1 10 10 ARG HA H 10 4.322 4.322 4.280 0.042 19511 6243 1 20 . 1 1 10 10 ARG CA C 10 53.971 53.971 55.629 -1.658 19511 6244 1 20 . 1 1 10 10 ARG CB C 10 28.386 28.386 28.705 -0.319 19511 6245 1 20 . 1 1 10 10 ARG H H 10 8.350 8.350 8.822 -0.472 19511 6246 1 20 . 1 1 11 11 ARG N N 11 123.361 123.361 123.899 -0.538 19511 6247 1 20 . 1 1 11 11 ARG HA H 11 4.312 4.312 4.273 0.039 19511 6248 1 20 . 1 1 11 11 ARG CA C 11 53.146 53.146 55.697 -2.551 19511 6249 1 20 . 1 1 11 11 ARG CB C 11 30.162 30.162 28.754 1.408 19511 6250 1 20 . 1 1 11 11 ARG H H 11 8.508 8.508 7.827 0.681 19511 6251 1 20 . 1 1 12 12 THR N N 12 126.287 126.287 116.091 10.196 19511 6252 1 20 . 1 1 12 12 THR HA H 12 3.790 3.790 3.963 -0.173 19511 6253 1 20 . 1 1 12 12 THR CA C 12 62.948 62.948 61.389 1.559 19511 6254 1 20 . 1 1 12 12 THR CB C 12 66.854 66.854 69.459 -2.605 19511 6255 1 20 . 1 1 12 12 THR H H 12 8.068 8.068 7.600 0.468 19511 6256 1 20 . 1 1 13 13 ALA N N 13 129.745 129.745 121.895 7.850 19511 6257 1 20 . 1 1 13 13 ALA HA H 13 4.664 4.664 4.316 0.348 19511 6258 1 20 . 1 1 13 13 ALA CA C 13 47.602 47.602 51.895 -4.293 19511 6259 1 20 . 1 1 13 13 ALA CB C 13 16.412 16.412 19.567 -3.155 19511 6260 1 20 . 1 1 13 13 ALA H H 13 8.317 8.317 7.391 0.926 19511 6261 1 20 . 1 1 14 14 PHE N N 14 124.589 124.589 117.771 6.818 19511 6262 1 20 . 1 1 14 14 PHE HA H 14 4.708 4.708 5.055 -0.347 19511 6263 1 20 . 1 1 14 14 PHE CA C 14 56.288 56.288 55.913 0.375 19511 6264 1 20 . 1 1 14 14 PHE CB C 14 38.229 38.229 40.143 -1.914 19511 6265 1 20 . 1 1 14 14 PHE H H 14 8.594 8.594 7.592 1.002 19511 6266 1 20 . 1 1 15 15 THR N N 15 113.746 113.746 112.761 0.985 19511 6267 1 20 . 1 1 15 15 THR HA H 15 4.575 4.575 4.548 0.027 19511 6268 1 20 . 1 1 15 15 THR CA C 15 58.027 58.027 60.138 -2.111 19511 6269 1 20 . 1 1 15 15 THR CB C 15 68.256 68.256 70.488 -2.232 19511 6270 1 20 . 1 1 15 15 THR H H 15 9.053 9.053 8.176 0.877 19511 6271 1 20 . 1 1 16 16 SER N N 16 116.624 116.624 119.169 -2.545 19511 6272 1 20 . 1 1 16 16 SER HA H 16 4.713 4.713 4.214 0.499 19511 6273 1 20 . 1 1 16 16 SER CA C 16 59.750 59.750 60.953 -1.203 19511 6274 1 20 . 1 1 16 16 SER CB C 16 59.639 59.639 63.166 -3.527 19511 6275 1 20 . 1 1 16 16 SER H H 16 9.092 9.092 8.909 0.183 19511 6276 1 20 . 1 1 17 17 GLU N N 17 120.287 120.287 119.915 0.372 19511 6277 1 20 . 1 1 17 17 GLU HA H 17 4.081 4.081 4.173 -0.092 19511 6278 1 20 . 1 1 17 17 GLU CA C 17 57.565 57.565 58.082 -0.517 19511 6279 1 20 . 1 1 17 17 GLU CB C 17 26.998 26.998 29.729 -2.731 19511 6280 1 20 . 1 1 17 17 GLU H H 17 8.560 8.560 7.975 0.585 19511 6281 1 20 . 1 1 18 18 GLN N N 18 118.169 118.169 114.845 3.324 19511 6282 1 20 . 1 1 18 18 GLN HA H 18 3.898 3.898 4.439 -0.541 19511 6283 1 20 . 1 1 18 18 GLN CA C 18 56.609 56.609 55.380 1.229 19511 6284 1 20 . 1 1 18 18 GLN CB C 18 32.647 32.647 30.280 2.367 19511 6285 1 20 . 1 1 18 18 GLN H H 18 7.769 7.769 7.748 0.021 19511 6286 1 20 . 1 1 19 19 LEU N N 19 116.929 116.929 120.731 -3.802 19511 6287 1 20 . 1 1 19 19 LEU HA H 19 3.655 3.655 4.251 -0.596 19511 6288 1 20 . 1 1 19 19 LEU CA C 19 55.390 55.390 54.787 0.603 19511 6289 1 20 . 1 1 19 19 LEU CB C 19 39.414 39.414 42.161 -2.747 19511 6290 1 20 . 1 1 19 19 LEU H H 19 8.227 8.227 7.594 0.633 19511 6291 1 20 . 1 1 20 20 LEU N N 20 118.864 118.864 122.157 -3.293 19511 6292 1 20 . 1 1 20 20 LEU HA H 20 4.034 4.034 3.833 0.201 19511 6293 1 20 . 1 1 20 20 LEU CA C 20 55.765 55.765 59.301 -3.536 19511 6294 1 20 . 1 1 20 20 LEU CB C 20 39.758 39.758 41.514 -1.756 19511 6295 1 20 . 1 1 20 20 LEU H H 20 8.037 8.037 7.378 0.659 19511 6296 1 20 . 1 1 21 21 GLU N N 21 118.147 118.147 116.711 1.436 19511 6297 1 20 . 1 1 21 21 GLU HA H 21 4.159 4.159 4.034 0.125 19511 6298 1 20 . 1 1 21 21 GLU CA C 21 56.062 56.062 59.542 -3.480 19511 6299 1 20 . 1 1 21 21 GLU CB C 21 27.576 27.576 29.091 -1.515 19511 6300 1 20 . 1 1 21 21 GLU H H 21 7.491 7.491 8.363 -0.872 19511 6301 1 20 . 1 1 22 22 LEU N N 22 122.316 122.316 119.608 2.708 19511 6302 1 20 . 1 1 22 22 LEU HA H 22 3.534 3.534 4.004 -0.470 19511 6303 1 20 . 1 1 22 22 LEU CA C 22 56.091 56.091 57.656 -1.565 19511 6304 1 20 . 1 1 22 22 LEU CB C 22 35.557 35.557 41.733 -6.176 19511 6305 1 20 . 1 1 22 22 LEU H H 22 8.254 8.254 7.943 0.311 19511 6306 1 20 . 1 1 23 23 GLU N N 23 117.645 117.645 117.678 -0.033 19511 6307 1 20 . 1 1 23 23 GLU HA H 23 4.319 4.319 4.457 -0.138 19511 6308 1 20 . 1 1 23 23 GLU CA C 23 56.627 56.627 58.812 -2.185 19511 6309 1 20 . 1 1 23 23 GLU CB C 23 26.800 26.800 30.002 -3.202 19511 6310 1 20 . 1 1 23 23 GLU H H 23 8.084 8.084 8.186 -0.102 19511 6311 1 20 . 1 1 24 24 LYS N N 24 120.989 120.989 122.507 -1.518 19511 6312 1 20 . 1 1 24 24 LYS HA H 24 4.088 4.088 4.103 -0.015 19511 6313 1 20 . 1 1 24 24 LYS CA C 24 57.392 57.392 59.579 -2.187 19511 6314 1 20 . 1 1 24 24 LYS H H 24 7.884 7.884 7.648 0.236 19511 6315 1 20 . 1 1 25 25 GLU N N 25 119.686 119.686 117.555 2.131 19511 6316 1 20 . 1 1 25 25 GLU HA H 25 4.325 4.325 4.183 0.142 19511 6317 1 20 . 1 1 25 25 GLU CA C 25 56.529 56.529 58.548 -2.019 19511 6318 1 20 . 1 1 25 25 GLU CB C 25 26.344 26.344 29.398 -3.054 19511 6319 1 20 . 1 1 25 25 GLU H H 25 8.179 8.179 7.901 0.278 19511 6320 1 20 . 1 1 26 26 PHE N N 26 121.229 121.229 116.725 4.504 19511 6321 1 20 . 1 1 26 26 PHE HA H 26 4.769 4.769 4.941 -0.172 19511 6322 1 20 . 1 1 26 26 PHE CA C 26 57.746 57.746 57.278 0.468 19511 6323 1 20 . 1 1 26 26 PHE CB C 26 41.554 41.554 40.294 1.260 19511 6324 1 20 . 1 1 26 26 PHE H H 26 8.896 8.896 7.850 1.046 19511 6325 1 20 . 1 1 27 27 HIS N N 27 115.789 115.789 118.195 -2.406 19511 6326 1 20 . 1 1 27 27 HIS HA H 27 4.069 4.069 4.683 -0.614 19511 6327 1 20 . 1 1 27 27 HIS CA C 27 56.598 56.598 58.897 -2.299 19511 6328 1 20 . 1 1 27 27 HIS CB C 27 27.235 27.235 31.537 -4.302 19511 6329 1 20 . 1 1 27 27 HIS H H 27 8.110 8.110 8.468 -0.358 19511 6330 1 20 . 1 1 28 28 CYS N N 28 115.311 115.311 117.531 -2.220 19511 6331 1 20 . 1 1 28 28 CYS HA H 28 4.553 4.553 4.281 0.272 19511 6332 1 20 . 1 1 28 28 CYS CA C 28 54.270 54.270 60.617 -6.347 19511 6333 1 20 . 1 1 28 28 CYS CB C 28 39.551 39.551 28.693 10.858 19511 6334 1 20 . 1 1 28 28 CYS H H 28 7.470 7.470 8.675 -1.205 19511 6335 1 20 . 1 1 29 29 LYS N N 29 122.013 122.013 115.131 6.882 19511 6336 1 20 . 1 1 29 29 LYS HA H 29 4.412 4.412 4.215 0.197 19511 6337 1 20 . 1 1 29 29 LYS CA C 29 53.840 53.840 55.224 -1.384 19511 6338 1 20 . 1 1 29 29 LYS CB C 29 32.448 32.448 33.870 -1.422 19511 6339 1 20 . 1 1 29 29 LYS H H 29 8.648 8.648 7.170 1.478 19511 6340 1 20 . 1 1 30 30 LYS N N 30 117.519 117.519 118.530 -1.011 19511 6341 1 20 . 1 1 30 30 LYS HA H 30 3.837 3.837 3.842 -0.005 19511 6342 1 20 . 1 1 30 30 LYS CA C 30 53.748 53.748 55.727 -1.979 19511 6343 1 20 . 1 1 30 30 LYS CB C 30 30.195 30.195 33.324 -3.129 19511 6344 1 20 . 1 1 30 30 LYS H H 30 7.887 7.887 7.832 0.056 19511 6345 1 20 . 1 1 31 31 TYR N N 31 112.770 112.770 114.629 -1.859 19511 6346 1 20 . 1 1 31 31 TYR HA H 31 4.591 4.591 4.774 -0.183 19511 6347 1 20 . 1 1 31 31 TYR CA C 31 53.415 53.415 55.548 -2.133 19511 6348 1 20 . 1 1 31 31 TYR CB C 31 39.905 39.905 38.124 1.781 19511 6349 1 20 . 1 1 31 31 TYR H H 31 7.368 7.368 6.966 0.402 19511 6350 1 20 . 1 1 32 32 LEU N N 32 120.286 120.286 126.099 -5.813 19511 6351 1 20 . 1 1 32 32 LEU HA H 32 4.766 4.766 4.331 0.435 19511 6352 1 20 . 1 1 32 32 LEU CA C 32 50.290 50.290 55.024 -4.734 19511 6353 1 20 . 1 1 32 32 LEU CB C 32 42.846 42.846 42.424 0.422 19511 6354 1 20 . 1 1 32 32 LEU H H 32 8.442 8.442 8.527 -0.085 19511 6355 1 20 . 1 1 33 33 SER N N 33 120.490 120.490 118.092 2.398 19511 6356 1 20 . 1 1 33 33 SER HA H 33 4.045 4.045 4.658 -0.613 19511 6357 1 20 . 1 1 33 33 SER CA C 33 54.957 54.957 56.286 -1.329 19511 6358 1 20 . 1 1 33 33 SER CB C 33 63.875 63.875 65.016 -1.141 19511 6359 1 20 . 1 1 33 33 SER H H 33 9.439 9.439 8.003 1.436 19511 6360 1 20 . 1 1 34 34 LEU N N 34 121.725 121.725 122.942 -1.217 19511 6361 1 20 . 1 1 34 34 LEU HA H 34 4.059 4.059 4.139 -0.080 19511 6362 1 20 . 1 1 34 34 LEU CA C 34 56.683 56.683 58.841 -2.158 19511 6363 1 20 . 1 1 34 34 LEU CB C 34 38.920 38.920 40.611 -1.691 19511 6364 1 20 . 1 1 34 34 LEU H H 34 8.886 8.886 8.763 0.123 19511 6365 1 20 . 1 1 35 35 THR N N 35 113.779 113.779 113.141 0.638 19511 6366 1 20 . 1 1 35 35 THR HA H 35 4.047 4.047 4.109 -0.062 19511 6367 1 20 . 1 1 35 35 THR CA C 35 63.322 63.322 65.596 -2.274 19511 6368 1 20 . 1 1 35 35 THR CB C 35 65.973 65.973 68.334 -2.361 19511 6369 1 20 . 1 1 35 35 THR H H 35 8.142 8.142 8.248 -0.106 19511 6370 1 20 . 1 1 36 36 GLU N N 36 122.728 122.728 122.716 0.012 19511 6371 1 20 . 1 1 36 36 GLU HA H 36 4.036 4.036 4.299 -0.263 19511 6372 1 20 . 1 1 36 36 GLU CA C 36 56.454 56.454 60.118 -3.664 19511 6373 1 20 . 1 1 36 36 GLU CB C 36 27.949 27.949 29.485 -1.536 19511 6374 1 20 . 1 1 36 36 GLU H H 36 7.658 7.658 8.604 -0.946 19511 6375 1 20 . 1 1 37 37 ARG N N 37 118.862 118.862 117.980 0.882 19511 6376 1 20 . 1 1 37 37 ARG HA H 37 3.842 3.842 4.271 -0.429 19511 6377 1 20 . 1 1 37 37 ARG CA C 37 57.537 57.537 58.552 -1.015 19511 6378 1 20 . 1 1 37 37 ARG CB C 37 28.496 28.496 30.098 -1.602 19511 6379 1 20 . 1 1 37 37 ARG H H 37 8.762 8.762 8.392 0.370 19511 6380 1 20 . 1 1 38 38 SER N N 38 113.126 113.126 113.479 -0.353 19511 6381 1 20 . 1 1 38 38 SER HA H 38 4.039 4.039 4.464 -0.425 19511 6382 1 20 . 1 1 38 38 SER CA C 38 60.349 60.349 59.611 0.738 19511 6383 1 20 . 1 1 38 38 SER CB C 38 65.383 65.383 63.509 1.874 19511 6384 1 20 . 1 1 38 38 SER H H 38 7.989 7.989 7.997 -0.008 19511 6385 1 20 . 1 1 39 39 GLN N N 39 121.461 121.461 121.164 0.297 19511 6386 1 20 . 1 1 39 39 GLN HA H 39 4.176 4.176 4.058 0.118 19511 6387 1 20 . 1 1 39 39 GLN CA C 39 56.766 56.766 58.971 -2.205 19511 6388 1 20 . 1 1 39 39 GLN CB C 39 25.985 25.985 28.760 -2.775 19511 6389 1 20 . 1 1 39 39 GLN H H 39 8.017 8.017 7.667 0.350 19511 6390 1 20 . 1 1 40 40 ILE N N 40 121.303 121.303 119.665 1.638 19511 6391 1 20 . 1 1 40 40 ILE HA H 40 3.943 3.943 3.715 0.228 19511 6392 1 20 . 1 1 40 40 ILE CA C 40 62.170 62.170 64.430 -2.260 19511 6393 1 20 . 1 1 40 40 ILE CB C 40 35.984 35.984 37.386 -1.402 19511 6394 1 20 . 1 1 40 40 ILE H H 40 8.290 8.290 7.841 0.449 19511 6395 1 20 . 1 1 41 41 ALA N N 41 121.610 121.610 119.681 1.929 19511 6396 1 20 . 1 1 41 41 ALA HA H 41 3.757 3.757 4.110 -0.353 19511 6397 1 20 . 1 1 41 41 ALA CA C 41 53.812 53.812 54.307 -0.495 19511 6398 1 20 . 1 1 41 41 ALA CB C 41 15.288 15.288 18.143 -2.855 19511 6399 1 20 . 1 1 41 41 ALA H H 41 8.201 8.201 7.525 0.676 19511 6400 1 20 . 1 1 42 42 HIS N N 42 114.498 114.498 115.599 -1.101 19511 6401 1 20 . 1 1 42 42 HIS HA H 42 3.751 3.751 4.550 -0.799 19511 6402 1 20 . 1 1 42 42 HIS CA C 42 53.713 53.713 56.684 -2.971 19511 6403 1 20 . 1 1 42 42 HIS CB C 42 25.282 25.282 30.825 -5.543 19511 6404 1 20 . 1 1 42 42 HIS H H 42 8.136 8.136 7.690 0.446 19511 6405 1 20 . 1 1 43 43 ALA N N 43 121.763 121.763 121.522 0.241 19511 6406 1 20 . 1 1 43 43 ALA HA H 43 4.118 4.118 4.333 -0.215 19511 6407 1 20 . 1 1 43 43 ALA CA C 43 52.521 52.521 53.937 -1.416 19511 6408 1 20 . 1 1 43 43 ALA CB C 43 16.046 16.046 20.027 -3.981 19511 6409 1 20 . 1 1 43 43 ALA H H 43 8.181 8.181 7.786 0.395 19511 6410 1 20 . 1 1 44 44 LEU N N 44 114.063 114.063 119.383 -5.320 19511 6411 1 20 . 1 1 44 44 LEU HA H 44 4.416 4.416 4.120 0.296 19511 6412 1 20 . 1 1 44 44 LEU CA C 44 51.814 51.814 56.048 -4.234 19511 6413 1 20 . 1 1 44 44 LEU CB C 44 40.181 40.181 42.784 -2.603 19511 6414 1 20 . 1 1 44 44 LEU H H 44 8.016 8.016 7.838 0.178 19511 6415 1 20 . 1 1 45 45 LYS N N 45 116.933 116.933 115.718 1.215 19511 6416 1 20 . 1 1 45 45 LYS HA H 45 4.026 4.026 4.352 -0.326 19511 6417 1 20 . 1 1 45 45 LYS CA C 45 54.887 54.887 56.208 -1.321 19511 6418 1 20 . 1 1 45 45 LYS CB C 45 26.031 26.031 32.578 -6.547 19511 6419 1 20 . 1 1 45 45 LYS H H 45 7.867 7.867 8.065 -0.198 19511 6420 1 20 . 1 1 46 46 LEU N N 46 119.776 119.776 121.299 -1.523 19511 6421 1 20 . 1 1 46 46 LEU HA H 46 4.937 4.937 4.384 0.553 19511 6422 1 20 . 1 1 46 46 LEU CA C 46 49.983 49.983 54.739 -4.756 19511 6423 1 20 . 1 1 46 46 LEU CB C 46 45.389 45.389 42.842 2.547 19511 6424 1 20 . 1 1 46 46 LEU H H 46 8.517 8.517 7.940 0.577 19511 6425 1 20 . 1 1 47 47 SER N N 47 114.945 114.945 113.099 1.846 19511 6426 1 20 . 1 1 47 47 SER HA H 47 4.856 4.856 4.658 0.198 19511 6427 1 20 . 1 1 47 47 SER CA C 47 54.112 54.112 56.483 -2.371 19511 6428 1 20 . 1 1 47 47 SER CB C 47 62.635 62.635 64.579 -1.944 19511 6429 1 20 . 1 1 47 47 SER H H 47 9.225 9.225 8.150 1.075 19511 6430 1 20 . 1 1 48 48 GLU N N 48 122.216 122.216 128.469 -6.253 19511 6431 1 20 . 1 1 48 48 GLU HA H 48 3.778 3.778 4.033 -0.255 19511 6432 1 20 . 1 1 48 48 GLU CA C 48 58.893 58.893 60.106 -1.213 19511 6433 1 20 . 1 1 48 48 GLU CB C 48 27.002 27.002 29.606 -2.604 19511 6434 1 20 . 1 1 48 48 GLU H H 48 9.278 9.278 9.102 0.176 19511 6435 1 20 . 1 1 49 49 VAL N N 49 118.235 118.235 119.091 -0.856 19511 6436 1 20 . 1 1 49 49 VAL HA H 49 3.854 3.854 3.766 0.088 19511 6437 1 20 . 1 1 49 49 VAL CA C 49 63.808 63.808 65.436 -1.629 19511 6438 1 20 . 1 1 49 49 VAL CB C 49 29.556 29.556 31.806 -2.250 19511 6439 1 20 . 1 1 49 49 VAL H H 49 7.993 7.993 7.943 0.050 19511 6440 1 20 . 1 1 50 50 GLN N N 50 119.879 119.879 117.603 2.276 19511 6441 1 20 . 1 1 50 50 GLN HA H 50 4.296 4.296 4.191 0.105 19511 6442 1 20 . 1 1 50 50 GLN CA C 50 57.495 57.495 57.591 -0.096 19511 6443 1 20 . 1 1 50 50 GLN CB C 50 27.381 27.381 29.340 -1.959 19511 6444 1 20 . 1 1 50 50 GLN H H 50 7.705 7.705 7.693 0.012 19511 6445 1 20 . 1 1 51 51 VAL N N 51 117.905 117.905 121.296 -3.391 19511 6446 1 20 . 1 1 51 51 VAL HA H 51 3.818 3.818 3.519 0.299 19511 6447 1 20 . 1 1 51 51 VAL CA C 51 64.839 64.839 66.477 -1.638 19511 6448 1 20 . 1 1 51 51 VAL CB C 51 29.968 29.968 31.602 -1.634 19511 6449 1 20 . 1 1 51 51 VAL H H 51 7.629 7.629 7.931 -0.302 19511 6450 1 20 . 1 1 52 52 LYS N N 52 120.669 120.669 119.638 1.031 19511 6451 1 20 . 1 1 52 52 LYS HA H 52 4.168 4.168 4.437 -0.269 19511 6452 1 20 . 1 1 52 52 LYS CA C 52 57.489 57.489 59.469 -1.980 19511 6453 1 20 . 1 1 52 52 LYS CB C 52 30.473 30.473 32.254 -1.781 19511 6454 1 20 . 1 1 52 52 LYS H H 52 8.802 8.802 8.393 0.409 19511 6455 1 20 . 1 1 53 53 ILE N N 53 120.041 120.041 117.984 2.057 19511 6456 1 20 . 1 1 53 53 ILE HA H 53 3.710 3.710 4.285 -0.575 19511 6457 1 20 . 1 1 53 53 ILE CA C 53 61.549 61.549 62.919 -1.369 19511 6458 1 20 . 1 1 53 53 ILE CB C 53 35.022 35.022 38.425 -3.403 19511 6459 1 20 . 1 1 53 53 ILE H H 53 8.711 8.711 7.491 1.220 19511 6460 1 20 . 1 1 54 54 TRP N N 54 123.292 123.292 123.168 0.124 19511 6461 1 20 . 1 1 54 54 TRP HA H 54 4.731 4.731 4.154 0.577 19511 6462 1 20 . 1 1 54 54 TRP CA C 54 60.105 60.105 61.692 -1.587 19511 6463 1 20 . 1 1 54 54 TRP CB C 54 26.108 26.108 28.928 -2.820 19511 6464 1 20 . 1 1 54 54 TRP H H 54 8.467 8.467 7.755 0.712 19511 6465 1 20 . 1 1 55 55 PHE N N 55 118.279 118.279 116.901 1.378 19511 6466 1 20 . 1 1 55 55 PHE HA H 55 3.801 3.801 3.933 -0.132 19511 6467 1 20 . 1 1 55 55 PHE CA C 55 61.097 61.097 60.739 0.358 19511 6468 1 20 . 1 1 55 55 PHE CB C 55 36.812 36.812 37.772 -0.960 19511 6469 1 20 . 1 1 55 55 PHE H H 55 8.923 8.923 7.000 1.923 19511 6470 1 20 . 1 1 56 56 GLN N N 56 117.830 117.830 117.884 -0.054 19511 6471 1 20 . 1 1 56 56 GLN HA H 56 4.036 4.036 4.002 0.034 19511 6472 1 20 . 1 1 56 56 GLN CA C 56 57.329 57.329 59.074 -1.745 19511 6473 1 20 . 1 1 56 56 GLN CB C 56 25.312 25.312 28.201 -2.889 19511 6474 1 20 . 1 1 56 56 GLN H H 56 7.994 7.994 8.329 -0.335 19511 6475 1 20 . 1 1 57 57 ASN N N 57 119.840 119.840 119.669 0.171 19511 6476 1 20 . 1 1 57 57 ASN HA H 57 4.632 4.632 4.342 0.290 19511 6477 1 20 . 1 1 57 57 ASN CA C 57 55.637 55.637 55.736 -0.099 19511 6478 1 20 . 1 1 57 57 ASN CB C 57 35.824 35.824 38.203 -2.378 19511 6479 1 20 . 1 1 57 57 ASN H H 57 8.715 8.715 7.740 0.975 19511 6480 1 20 . 1 1 58 58 ARG N N 58 125.366 125.366 118.946 6.420 19511 6481 1 20 . 1 1 58 58 ARG HA H 58 3.656 3.656 3.845 -0.189 19511 6482 1 20 . 1 1 58 58 ARG CA C 58 53.865 53.865 57.099 -3.234 19511 6483 1 20 . 1 1 58 58 ARG CB C 58 25.436 25.436 29.691 -4.255 19511 6484 1 20 . 1 1 58 58 ARG H H 58 8.806 8.806 7.385 1.421 19511 6485 1 20 . 1 1 59 59 ARG N N 59 120.172 120.172 117.238 2.934 19511 6486 1 20 . 1 1 59 59 ARG CB C 59 29.582 29.582 30.212 -0.630 19511 6487 1 20 . 1 1 59 59 ARG H H 59 8.345 8.345 7.240 1.105 19511 6488 1 20 . 1 1 60 60 ALA N N 60 122.418 122.418 120.490 1.928 19511 6489 1 20 . 1 1 60 60 ALA HA H 60 4.420 4.420 4.501 -0.081 19511 6490 1 20 . 1 1 60 60 ALA CA C 60 53.005 53.005 52.576 0.429 19511 6491 1 20 . 1 1 60 60 ALA CB C 60 15.567 15.567 19.379 -3.812 19511 6492 1 20 . 1 1 60 60 ALA H H 60 7.587 7.587 7.411 0.176 19511 6493 1 20 . 1 1 61 61 LYS N N 61 119.912 119.912 120.875 -0.963 19511 6494 1 20 . 1 1 61 61 LYS HA H 61 4.003 4.003 3.817 0.186 19511 6495 1 20 . 1 1 61 61 LYS CA C 61 57.164 57.164 59.674 -2.510 19511 6496 1 20 . 1 1 61 61 LYS CB C 61 30.390 30.390 31.857 -1.467 19511 6497 1 20 . 1 1 61 61 LYS H H 61 7.856 7.856 7.292 0.564 19511 6498 1 20 . 1 1 62 62 TRP N N 62 119.782 119.782 116.850 2.932 19511 6499 1 20 . 1 1 62 62 TRP HA H 62 4.535 4.535 4.468 0.067 19511 6500 1 20 . 1 1 62 62 TRP CA C 62 57.359 57.359 59.798 -2.439 19511 6501 1 20 . 1 1 62 62 TRP CB C 62 27.020 27.020 28.616 -1.596 19511 6502 1 20 . 1 1 62 62 TRP H H 62 8.265 8.265 7.926 0.339 19511 6503 1 20 . 1 1 63 63 LYS N N 63 117.139 117.139 120.674 -3.535 19511 6504 1 20 . 1 1 63 63 LYS HA H 63 3.713 3.713 4.148 -0.435 19511 6505 1 20 . 1 1 63 63 LYS CA C 63 56.518 56.518 59.032 -2.514 19511 6506 1 20 . 1 1 63 63 LYS CB C 63 30.224 30.224 32.067 -1.843 19511 6507 1 20 . 1 1 63 63 LYS H H 63 8.262 8.262 7.568 0.694 19511 6508 1 20 . 1 1 64 64 ARG N N 64 118.868 118.868 118.989 -0.121 19511 6509 1 20 . 1 1 64 64 ARG HA H 64 4.192 4.192 4.196 -0.004 19511 6510 1 20 . 1 1 64 64 ARG CA C 64 56.249 56.249 58.329 -2.080 19511 6511 1 20 . 1 1 64 64 ARG CB C 64 28.227 28.227 29.856 -1.629 19511 6512 1 20 . 1 1 64 64 ARG H H 64 7.737 7.737 8.163 -0.426 19511 6513 1 20 . 1 1 65 65 ILE N N 65 119.744 119.744 120.317 -0.573 19511 6514 1 20 . 1 1 65 65 ILE HA H 65 4.012 4.012 3.910 0.102 19511 6515 1 20 . 1 1 65 65 ILE CA C 65 60.187 60.187 64.329 -4.142 19511 6516 1 20 . 1 1 65 65 ILE CB C 65 35.588 35.588 38.295 -2.707 19511 6517 1 20 . 1 1 65 65 ILE H H 65 8.010 8.010 8.188 -0.178 19511 6518 1 20 . 1 1 66 66 LYS N N 66 122.316 122.316 121.411 0.905 19511 6519 1 20 . 1 1 66 66 LYS HA H 66 4.106 4.106 4.259 -0.153 19511 6520 1 20 . 1 1 66 66 LYS CA C 66 54.657 54.657 55.608 -0.951 19511 6521 1 20 . 1 1 66 66 LYS CB C 66 29.634 29.634 31.300 -1.666 19511 6522 1 20 . 1 1 66 66 LYS H H 66 8.055 8.055 8.044 0.011 19511 6523 1 20 . 1 1 67 67 ALA N N 67 122.520 122.520 121.911 0.609 19511 6524 1 20 . 1 1 67 67 ALA HA H 67 4.291 4.291 4.574 -0.283 19511 6525 1 20 . 1 1 67 67 ALA CA C 67 50.463 50.463 51.240 -0.777 19511 6526 1 20 . 1 1 67 67 ALA CB C 67 16.535 16.535 20.869 -4.334 19511 6527 1 20 . 1 1 67 67 ALA H H 67 7.846 7.846 7.578 0.268 19511 6528 1 20 . 1 1 68 68 GLY N N 68 106.371 106.371 110.513 -4.142 19511 6529 1 20 . 1 1 68 68 GLY CA C 68 42.991 42.991 45.269 -2.277 19511 6530 1 20 . 1 1 68 68 GLY H H 68 8.053 8.053 8.592 -0.539 19511 6531 1 20 . 1 1 69 69 ASN N N 69 118.766 118.766 119.763 -0.997 19511 6532 1 20 . 1 1 69 69 ASN HA H 69 4.832 4.832 5.000 -0.168 19511 6533 1 20 . 1 1 69 69 ASN CA C 69 50.749 50.749 52.663 -1.913 19511 6534 1 20 . 1 1 69 69 ASN CB C 69 36.737 36.737 41.391 -4.654 19511 6535 1 20 . 1 1 69 69 ASN H H 69 8.166 8.166 8.336 -0.170 19511 6536 1 20 . 1 1 70 70 VAL N N 70 119.471 119.471 118.716 0.755 19511 6537 1 20 . 1 1 70 70 VAL HA H 70 4.265 4.265 4.718 -0.453 19511 6538 1 20 . 1 1 70 70 VAL CA C 70 59.765 59.765 61.690 -1.925 19511 6539 1 20 . 1 1 70 70 VAL CB C 70 30.482 30.482 33.244 -2.762 19511 6540 1 20 . 1 1 70 70 VAL H H 70 8.087 8.087 8.951 -0.864 19511 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 66 3.102 -0.229 3.117 19511 2 1 1 "Average Difference" HA 64 0.289 0.067 0.283 19511 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19511 4 1 1 "Average Difference" CA 67 2.316 1.905 1.327 19511 5 1 1 "Average Difference" CB 64 3.010 1.881 2.368 19511 6 1 1 "Average Difference" HN 66 0.566 -0.270 0.501 19511 7 1 2 "Average Difference" N 66 2.863 -0.346 2.864 19511 8 1 2 "Average Difference" HA 64 0.310 0.068 0.305 19511 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19511 10 1 2 "Average Difference" CA 67 2.370 1.951 1.355 19511 11 1 2 "Average Difference" CB 64 3.198 2.010 2.507 19511 12 1 2 "Average Difference" HN 66 0.593 -0.238 0.548 19511 13 1 3 "Average Difference" N 66 3.253 -0.544 3.232 19511 14 1 3 "Average Difference" HA 64 0.286 0.041 0.285 19511 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19511 16 1 3 "Average Difference" CA 67 2.275 1.811 1.388 19511 17 1 3 "Average Difference" CB 64 3.143 1.896 2.527 19511 18 1 3 "Average Difference" HN 66 0.617 -0.272 0.558 19511 19 1 4 "Average Difference" N 66 2.789 -0.533 2.759 19511 20 1 4 "Average Difference" HA 64 0.312 0.028 0.313 19511 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19511 22 1 4 "Average Difference" CA 67 2.265 1.865 1.294 19511 23 1 4 "Average Difference" CB 64 3.051 1.974 2.344 19511 24 1 4 "Average Difference" HN 66 0.592 -0.291 0.519 19511 25 1 5 "Average Difference" N 66 3.205 -0.549 3.182 19511 26 1 5 "Average Difference" HA 64 0.295 0.074 0.287 19511 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19511 28 1 5 "Average Difference" CA 67 2.218 1.842 1.246 19511 29 1 5 "Average Difference" CB 64 3.177 1.930 2.544 19511 30 1 5 "Average Difference" HN 66 0.602 -0.299 0.526 19511 31 1 6 "Average Difference" N 66 2.486 0.108 2.503 19511 32 1 6 "Average Difference" HA 64 0.278 0.062 0.273 19511 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19511 34 1 6 "Average Difference" CA 67 2.328 1.920 1.327 19511 35 1 6 "Average Difference" CB 64 2.982 1.912 2.307 19511 36 1 6 "Average Difference" HN 66 0.545 -0.226 0.500 19511 37 1 7 "Average Difference" N 66 3.144 -0.383 3.145 19511 38 1 7 "Average Difference" HA 64 0.310 -0.004 0.312 19511 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19511 40 1 7 "Average Difference" CA 67 2.460 2.020 1.414 19511 41 1 7 "Average Difference" CB 64 3.038 1.853 2.427 19511 42 1 7 "Average Difference" HN 66 0.534 -0.246 0.477 19511 43 1 8 "Average Difference" N 66 2.997 -0.703 2.935 19511 44 1 8 "Average Difference" HA 64 0.324 0.107 0.308 19511 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19511 46 1 8 "Average Difference" CA 67 2.175 1.651 1.427 19511 47 1 8 "Average Difference" CB 64 3.154 2.041 2.424 19511 48 1 8 "Average Difference" HN 66 0.612 -0.267 0.555 19511 49 1 9 "Average Difference" N 66 2.837 -0.371 2.835 19511 50 1 9 "Average Difference" HA 64 0.286 0.074 0.279 19511 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19511 52 1 9 "Average Difference" CA 67 2.296 1.901 1.298 19511 53 1 9 "Average Difference" CB 64 2.949 1.876 2.294 19511 54 1 9 "Average Difference" HN 66 0.559 -0.283 0.486 19511 55 1 10 "Average Difference" N 66 2.693 -0.120 2.711 19511 56 1 10 "Average Difference" HA 64 0.291 0.078 0.283 19511 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19511 58 1 10 "Average Difference" CA 67 2.357 1.957 1.323 19511 59 1 10 "Average Difference" CB 64 2.964 1.836 2.346 19511 60 1 10 "Average Difference" HN 66 0.608 -0.246 0.561 19511 61 1 11 "Average Difference" N 66 2.866 -0.517 2.841 19511 62 1 11 "Average Difference" HA 64 0.306 0.051 0.304 19511 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19511 64 1 11 "Average Difference" CA 67 2.404 1.919 1.460 19511 65 1 11 "Average Difference" CB 64 3.124 1.843 2.543 19511 66 1 11 "Average Difference" HN 66 0.556 -0.240 0.505 19511 67 1 12 "Average Difference" N 66 2.703 -0.203 2.716 19511 68 1 12 "Average Difference" HA 64 0.283 0.064 0.278 19511 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19511 70 1 12 "Average Difference" CA 67 2.352 1.960 1.309 19511 71 1 12 "Average Difference" CB 64 3.127 1.894 2.508 19511 72 1 12 "Average Difference" HN 66 0.590 -0.279 0.523 19511 73 1 13 "Average Difference" N 66 2.824 -0.253 2.834 19511 74 1 13 "Average Difference" HA 64 0.303 0.085 0.293 19511 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 19511 76 1 13 "Average Difference" CA 67 2.348 1.873 1.426 19511 77 1 13 "Average Difference" CB 64 3.087 1.931 2.428 19511 78 1 13 "Average Difference" HN 66 0.591 -0.162 0.572 19511 79 1 14 "Average Difference" N 66 2.752 -0.200 2.765 19511 80 1 14 "Average Difference" HA 64 0.257 0.045 0.255 19511 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 19511 82 1 14 "Average Difference" CA 67 2.302 1.970 1.201 19511 83 1 14 "Average Difference" CB 64 2.990 1.842 2.374 19511 84 1 14 "Average Difference" HN 66 0.577 -0.269 0.515 19511 85 1 15 "Average Difference" N 66 3.028 -0.332 3.033 19511 86 1 15 "Average Difference" HA 64 0.276 0.060 0.272 19511 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 19511 88 1 15 "Average Difference" CA 67 2.315 1.869 1.376 19511 89 1 15 "Average Difference" CB 64 2.992 1.818 2.395 19511 90 1 15 "Average Difference" HN 66 0.566 -0.257 0.508 19511 91 1 16 "Average Difference" N 66 2.933 -0.390 2.929 19511 92 1 16 "Average Difference" HA 64 0.271 0.033 0.271 19511 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 19511 94 1 16 "Average Difference" CA 67 2.438 2.016 1.381 19511 95 1 16 "Average Difference" CB 64 3.003 1.738 2.468 19511 96 1 16 "Average Difference" HN 66 0.511 -0.226 0.461 19511 97 1 17 "Average Difference" N 66 2.954 -0.367 2.954 19511 98 1 17 "Average Difference" HA 64 0.291 0.070 0.285 19511 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 19511 100 1 17 "Average Difference" CA 67 2.251 1.778 1.390 19511 101 1 17 "Average Difference" CB 64 3.010 1.927 2.331 19511 102 1 17 "Average Difference" HN 66 0.589 -0.249 0.538 19511 103 1 18 "Average Difference" N 66 2.915 -0.589 2.876 19511 104 1 18 "Average Difference" HA 64 0.267 0.061 0.262 19511 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 19511 106 1 18 "Average Difference" CA 67 2.237 1.886 1.213 19511 107 1 18 "Average Difference" CB 64 3.039 1.910 2.383 19511 108 1 18 "Average Difference" HN 66 0.618 -0.299 0.545 19511 109 1 19 "Average Difference" N 66 3.261 -0.429 3.257 19511 110 1 19 "Average Difference" HA 64 0.294 0.058 0.291 19511 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 19511 112 1 19 "Average Difference" CA 67 2.324 1.860 1.404 19511 113 1 19 "Average Difference" CB 64 3.072 1.863 2.462 19511 114 1 19 "Average Difference" HN 66 0.629 -0.243 0.585 19511 115 1 20 "Average Difference" N 66 3.088 -0.367 3.089 19511 116 1 20 "Average Difference" HA 64 0.313 0.069 0.308 19511 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 19511 118 1 20 "Average Difference" CA 67 2.347 1.850 1.455 19511 119 1 20 "Average Difference" CB 64 3.052 1.865 2.434 19511 120 1 20 "Average Difference" HN 66 0.682 -0.300 0.617 19511 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 19511 _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 3 3 PRO HA H 3 4.499 4.499 4.469 0.030 19511 2 1 . 1 1 3 3 PRO CA C 3 61.077 61.077 62.990 -1.913 19511 3 1 . 1 1 3 3 PRO CB C 3 29.635 29.635 32.491 -2.856 19511 4 1 . 1 1 4 4 GLY N N 4 109.482 109.482 108.209 1.273 19511 5 1 . 1 1 4 4 GLY CA C 4 42.963 42.963 44.869 -1.907 19511 6 1 . 1 1 4 4 GLY H H 4 8.521 8.521 8.348 0.173 19511 7 1 . 1 1 5 5 GLY N N 5 108.605 108.605 108.469 0.136 19511 8 1 . 1 1 5 5 GLY CA C 5 42.869 42.869 44.791 -1.922 19511 9 1 . 1 1 5 5 GLY H H 5 8.245 8.245 8.335 -0.090 19511 10 1 . 1 1 6 6 LYS N N 6 120.900 120.900 121.831 -0.931 19511 11 1 . 1 1 6 6 LYS HA H 6 4.454 4.454 4.551 -0.097 19511 12 1 . 1 1 6 6 LYS CA C 6 53.594 53.594 55.901 -2.307 19511 13 1 . 1 1 6 6 LYS CB C 6 31.034 31.034 33.462 -2.428 19511 14 1 . 1 1 6 6 LYS H H 6 8.201 8.201 8.311 -0.110 19511 15 1 . 1 1 7 7 SER N N 7 118.055 118.055 117.690 0.365 19511 16 1 . 1 1 7 7 SER HA H 7 4.533 4.533 4.608 -0.075 19511 17 1 . 1 1 7 7 SER CA C 7 55.637 55.637 57.960 -2.323 19511 18 1 . 1 1 7 7 SER CB C 7 61.343 61.343 64.306 -2.963 19511 19 1 . 1 1 7 7 SER H H 7 8.425 8.425 8.385 0.040 19511 20 1 . 1 1 8 8 ARG HA H 8 4.547 4.547 4.461 0.086 19511 21 1 . 1 1 8 8 ARG CA C 8 53.146 53.146 55.873 -2.727 19511 22 1 . 1 1 8 8 ARG CB C 8 29.317 29.317 30.737 -1.420 19511 23 1 . 1 1 9 9 ARG N N 9 124.954 124.954 123.053 1.901 19511 24 1 . 1 1 9 9 ARG HA H 9 4.321 4.321 4.378 -0.057 19511 25 1 . 1 1 9 9 ARG CA C 9 54.049 54.049 55.576 -1.527 19511 26 1 . 1 1 9 9 ARG CB C 9 28.705 28.705 31.149 -2.444 19511 27 1 . 1 1 9 9 ARG H H 9 9.037 9.037 8.413 0.624 19511 28 1 . 1 1 10 10 ARG N N 10 122.493 122.493 123.931 -1.438 19511 29 1 . 1 1 10 10 ARG HA H 10 4.322 4.322 4.260 0.062 19511 30 1 . 1 1 10 10 ARG CA C 10 53.971 53.971 56.356 -2.385 19511 31 1 . 1 1 10 10 ARG CB C 10 28.386 28.386 29.380 -0.994 19511 32 1 . 1 1 10 10 ARG H H 10 8.350 8.350 8.603 -0.253 19511 33 1 . 1 1 11 11 ARG N N 11 123.361 123.361 123.439 -0.078 19511 34 1 . 1 1 11 11 ARG HA H 11 4.312 4.312 4.381 -0.069 19511 35 1 . 1 1 11 11 ARG CA C 11 53.146 53.146 55.889 -2.743 19511 36 1 . 1 1 11 11 ARG CB C 11 30.162 30.162 30.011 0.151 19511 37 1 . 1 1 11 11 ARG H H 11 8.508 8.508 8.231 0.277 19511 38 1 . 1 1 12 12 THR N N 12 126.287 126.287 115.160 11.127 19511 39 1 . 1 1 12 12 THR HA H 12 3.790 3.790 4.203 -0.413 19511 40 1 . 1 1 12 12 THR CA C 12 62.948 62.948 61.732 1.216 19511 41 1 . 1 1 12 12 THR CB C 12 66.854 66.854 70.191 -3.337 19511 42 1 . 1 1 12 12 THR H H 12 8.068 8.068 7.593 0.475 19511 43 1 . 1 1 13 13 ALA N N 13 129.745 129.745 126.467 3.278 19511 44 1 . 1 1 13 13 ALA HA H 13 4.664 4.664 4.474 0.190 19511 45 1 . 1 1 13 13 ALA CA C 13 47.602 47.602 51.718 -4.116 19511 46 1 . 1 1 13 13 ALA CB C 13 16.412 16.412 18.969 -2.557 19511 47 1 . 1 1 13 13 ALA H H 13 8.317 8.317 7.980 0.337 19511 48 1 . 1 1 14 14 PHE N N 14 124.589 124.589 118.891 5.698 19511 49 1 . 1 1 14 14 PHE HA H 14 4.708 4.708 4.902 -0.194 19511 50 1 . 1 1 14 14 PHE CA C 14 56.288 56.288 55.872 0.416 19511 51 1 . 1 1 14 14 PHE CB C 14 38.229 38.229 40.436 -2.207 19511 52 1 . 1 1 14 14 PHE H H 14 8.594 8.594 7.635 0.959 19511 53 1 . 1 1 15 15 THR N N 15 113.746 113.746 112.018 1.728 19511 54 1 . 1 1 15 15 THR HA H 15 4.575 4.575 4.657 -0.082 19511 55 1 . 1 1 15 15 THR CA C 15 58.027 58.027 59.977 -1.950 19511 56 1 . 1 1 15 15 THR CB C 15 68.256 68.256 71.195 -2.939 19511 57 1 . 1 1 15 15 THR H H 15 9.053 9.053 8.249 0.804 19511 58 1 . 1 1 16 16 SER N N 16 116.624 116.624 117.436 -0.812 19511 59 1 . 1 1 16 16 SER HA H 16 4.713 4.713 4.237 0.476 19511 60 1 . 1 1 16 16 SER CA C 16 59.750 59.750 61.042 -1.292 19511 61 1 . 1 1 16 16 SER CB C 16 59.639 59.639 63.072 -3.433 19511 62 1 . 1 1 16 16 SER H H 16 9.092 9.092 8.739 0.353 19511 63 1 . 1 1 17 17 GLU N N 17 120.287 120.287 120.288 -0.001 19511 64 1 . 1 1 17 17 GLU HA H 17 4.081 4.081 4.150 -0.069 19511 65 1 . 1 1 17 17 GLU CA C 17 57.565 57.565 58.589 -1.024 19511 66 1 . 1 1 17 17 GLU CB C 17 26.998 26.998 29.605 -2.607 19511 67 1 . 1 1 17 17 GLU H H 17 8.560 8.560 8.217 0.343 19511 68 1 . 1 1 18 18 GLN N N 18 118.169 118.169 117.406 0.763 19511 69 1 . 1 1 18 18 GLN HA H 18 3.898 3.898 4.185 -0.287 19511 70 1 . 1 1 18 18 GLN CA C 18 56.609 56.609 57.218 -0.609 19511 71 1 . 1 1 18 18 GLN CB C 18 32.647 32.647 29.291 3.357 19511 72 1 . 1 1 18 18 GLN H H 18 7.769 7.769 7.674 0.095 19511 73 1 . 1 1 19 19 LEU N N 19 116.929 116.929 119.963 -3.034 19511 74 1 . 1 1 19 19 LEU HA H 19 3.655 3.655 4.070 -0.415 19511 75 1 . 1 1 19 19 LEU CA C 19 55.390 55.390 55.978 -0.588 19511 76 1 . 1 1 19 19 LEU CB C 19 39.414 39.414 41.735 -2.321 19511 77 1 . 1 1 19 19 LEU H H 19 8.227 8.227 7.839 0.388 19511 78 1 . 1 1 20 20 LEU N N 20 118.864 118.864 120.538 -1.674 19511 79 1 . 1 1 20 20 LEU HA H 20 4.034 4.034 3.915 0.119 19511 80 1 . 1 1 20 20 LEU CA C 20 55.765 55.765 58.621 -2.856 19511 81 1 . 1 1 20 20 LEU CB C 20 39.758 39.758 41.646 -1.888 19511 82 1 . 1 1 20 20 LEU H H 20 8.037 8.037 7.658 0.379 19511 83 1 . 1 1 21 21 GLU N N 21 118.147 118.147 117.568 0.579 19511 84 1 . 1 1 21 21 GLU HA H 21 4.159 4.159 4.040 0.119 19511 85 1 . 1 1 21 21 GLU CA C 21 56.062 56.062 59.011 -2.949 19511 86 1 . 1 1 21 21 GLU CB C 21 27.576 27.576 29.130 -1.554 19511 87 1 . 1 1 21 21 GLU H H 21 7.491 7.491 8.134 -0.643 19511 88 1 . 1 1 22 22 LEU N N 22 122.316 122.316 120.505 1.811 19511 89 1 . 1 1 22 22 LEU HA H 22 3.534 3.534 3.835 -0.301 19511 90 1 . 1 1 22 22 LEU CA C 22 56.091 56.091 57.770 -1.679 19511 91 1 . 1 1 22 22 LEU CB C 22 35.557 35.557 41.572 -6.015 19511 92 1 . 1 1 22 22 LEU H H 22 8.254 8.254 7.722 0.532 19511 93 1 . 1 1 23 23 GLU N N 23 117.645 117.645 117.499 0.146 19511 94 1 . 1 1 23 23 GLU HA H 23 4.319 4.319 4.291 0.028 19511 95 1 . 1 1 23 23 GLU CA C 23 56.627 56.627 59.038 -2.411 19511 96 1 . 1 1 23 23 GLU CB C 23 26.800 26.800 29.686 -2.886 19511 97 1 . 1 1 23 23 GLU H H 23 8.084 8.084 8.001 0.083 19511 98 1 . 1 1 24 24 LYS N N 24 120.989 120.989 120.571 0.418 19511 99 1 . 1 1 24 24 LYS HA H 24 4.088 4.088 4.080 0.008 19511 100 1 . 1 1 24 24 LYS CA C 24 57.392 57.392 59.416 -2.024 19511 101 1 . 1 1 24 24 LYS H H 24 7.884 7.884 7.963 -0.079 19511 102 1 . 1 1 25 25 GLU N N 25 119.686 119.686 119.135 0.551 19511 103 1 . 1 1 25 25 GLU HA H 25 4.325 4.325 4.148 0.177 19511 104 1 . 1 1 25 25 GLU CA C 25 56.529 56.529 58.816 -2.287 19511 105 1 . 1 1 25 25 GLU CB C 25 26.344 26.344 29.308 -2.964 19511 106 1 . 1 1 25 25 GLU H H 25 8.179 8.179 8.078 0.101 19511 107 1 . 1 1 26 26 PHE N N 26 121.229 121.229 117.967 3.262 19511 108 1 . 1 1 26 26 PHE HA H 26 4.769 4.769 4.769 -0.000 19511 109 1 . 1 1 26 26 PHE CA C 26 57.746 57.746 59.298 -1.552 19511 110 1 . 1 1 26 26 PHE CB C 26 41.554 41.554 39.447 2.108 19511 111 1 . 1 1 26 26 PHE H H 26 8.896 8.896 7.947 0.949 19511 112 1 . 1 1 27 27 HIS N N 27 115.789 115.789 118.245 -2.456 19511 113 1 . 1 1 27 27 HIS HA H 27 4.069 4.069 4.534 -0.465 19511 114 1 . 1 1 27 27 HIS CA C 27 56.598 56.598 58.688 -2.090 19511 115 1 . 1 1 27 27 HIS CB C 27 27.235 27.235 30.694 -3.459 19511 116 1 . 1 1 27 27 HIS H H 27 8.110 8.110 8.025 0.085 19511 117 1 . 1 1 28 28 CYS N N 28 115.311 115.311 116.857 -1.546 19511 118 1 . 1 1 28 28 CYS HA H 28 4.553 4.553 4.348 0.205 19511 119 1 . 1 1 28 28 CYS CA C 28 54.270 54.270 60.060 -5.790 19511 120 1 . 1 1 28 28 CYS CB C 28 39.551 39.551 29.334 10.217 19511 121 1 . 1 1 28 28 CYS H H 28 7.470 7.470 8.024 -0.554 19511 122 1 . 1 1 29 29 LYS N N 29 122.013 122.013 118.266 3.747 19511 123 1 . 1 1 29 29 LYS HA H 29 4.412 4.412 4.295 0.117 19511 124 1 . 1 1 29 29 LYS CA C 29 53.840 53.840 54.909 -1.069 19511 125 1 . 1 1 29 29 LYS CB C 29 32.448 32.448 33.196 -0.748 19511 126 1 . 1 1 29 29 LYS H H 29 8.648 8.648 7.572 1.076 19511 127 1 . 1 1 30 30 LYS N N 30 117.519 117.519 121.655 -4.136 19511 128 1 . 1 1 30 30 LYS HA H 30 3.837 3.837 3.789 0.048 19511 129 1 . 1 1 30 30 LYS CA C 30 53.748 53.748 56.249 -2.501 19511 130 1 . 1 1 30 30 LYS CB C 30 30.195 30.195 32.373 -2.178 19511 131 1 . 1 1 30 30 LYS H H 30 7.887 7.887 8.322 -0.435 19511 132 1 . 1 1 31 31 TYR N N 31 112.770 112.770 113.313 -0.543 19511 133 1 . 1 1 31 31 TYR HA H 31 4.591 4.591 4.755 -0.164 19511 134 1 . 1 1 31 31 TYR CA C 31 53.415 53.415 55.257 -1.842 19511 135 1 . 1 1 31 31 TYR CB C 31 39.905 39.905 39.193 0.712 19511 136 1 . 1 1 31 31 TYR H H 31 7.368 7.368 6.909 0.459 19511 137 1 . 1 1 32 32 LEU N N 32 120.286 120.286 124.182 -3.896 19511 138 1 . 1 1 32 32 LEU HA H 32 4.766 4.766 4.515 0.251 19511 139 1 . 1 1 32 32 LEU CA C 32 50.290 50.290 54.557 -4.267 19511 140 1 . 1 1 32 32 LEU CB C 32 42.846 42.846 42.901 -0.055 19511 141 1 . 1 1 32 32 LEU H H 32 8.442 8.442 8.406 0.036 19511 142 1 . 1 1 33 33 SER N N 33 120.490 120.490 119.696 0.794 19511 143 1 . 1 1 33 33 SER HA H 33 4.045 4.045 4.541 -0.496 19511 144 1 . 1 1 33 33 SER CA C 33 54.957 54.957 57.817 -2.860 19511 145 1 . 1 1 33 33 SER CB C 33 63.875 63.875 63.934 -0.059 19511 146 1 . 1 1 33 33 SER H H 33 9.439 9.439 8.518 0.921 19511 147 1 . 1 1 34 34 LEU N N 34 121.725 121.725 123.379 -1.654 19511 148 1 . 1 1 34 34 LEU HA H 34 4.059 4.059 4.054 0.005 19511 149 1 . 1 1 34 34 LEU CA C 34 56.683 56.683 58.167 -1.484 19511 150 1 . 1 1 34 34 LEU CB C 34 38.920 38.920 40.459 -1.539 19511 151 1 . 1 1 34 34 LEU H H 34 8.886 8.886 8.718 0.168 19511 152 1 . 1 1 35 35 THR N N 35 113.779 113.779 113.484 0.295 19511 153 1 . 1 1 35 35 THR HA H 35 4.047 4.047 4.074 -0.027 19511 154 1 . 1 1 35 35 THR CA C 35 63.322 63.322 65.329 -2.007 19511 155 1 . 1 1 35 35 THR CB C 35 65.973 65.973 68.643 -2.670 19511 156 1 . 1 1 35 35 THR H H 35 8.142 8.142 8.173 -0.031 19511 157 1 . 1 1 36 36 GLU N N 36 122.728 122.728 120.402 2.326 19511 158 1 . 1 1 36 36 GLU HA H 36 4.036 4.036 4.148 -0.112 19511 159 1 . 1 1 36 36 GLU CA C 36 56.454 56.454 59.151 -2.696 19511 160 1 . 1 1 36 36 GLU CB C 36 27.949 27.949 29.227 -1.278 19511 161 1 . 1 1 36 36 GLU H H 36 7.658 7.658 8.162 -0.504 19511 162 1 . 1 1 37 37 ARG N N 37 118.862 118.862 119.775 -0.913 19511 163 1 . 1 1 37 37 ARG HA H 37 3.842 3.842 4.201 -0.359 19511 164 1 . 1 1 37 37 ARG CA C 37 57.537 57.537 58.799 -1.262 19511 165 1 . 1 1 37 37 ARG CB C 37 28.496 28.496 30.198 -1.702 19511 166 1 . 1 1 37 37 ARG H H 37 8.762 8.762 8.229 0.533 19511 167 1 . 1 1 38 38 SER N N 38 113.126 113.126 113.787 -0.661 19511 168 1 . 1 1 38 38 SER HA H 38 4.039 4.039 4.363 -0.324 19511 169 1 . 1 1 38 38 SER CA C 38 60.349 60.349 60.148 0.201 19511 170 1 . 1 1 38 38 SER CB C 38 65.383 65.383 62.984 2.399 19511 171 1 . 1 1 38 38 SER H H 38 7.989 7.989 7.868 0.121 19511 172 1 . 1 1 39 39 GLN N N 39 121.461 121.461 121.949 -0.488 19511 173 1 . 1 1 39 39 GLN HA H 39 4.176 4.176 4.039 0.137 19511 174 1 . 1 1 39 39 GLN CA C 39 56.766 56.766 58.897 -2.131 19511 175 1 . 1 1 39 39 GLN CB C 39 25.985 25.985 28.752 -2.767 19511 176 1 . 1 1 39 39 GLN H H 39 8.017 8.017 7.618 0.399 19511 177 1 . 1 1 40 40 ILE N N 40 121.303 121.303 119.881 1.422 19511 178 1 . 1 1 40 40 ILE HA H 40 3.943 3.943 3.635 0.308 19511 179 1 . 1 1 40 40 ILE CA C 40 62.170 62.170 64.706 -2.536 19511 180 1 . 1 1 40 40 ILE CB C 40 35.984 35.984 37.450 -1.466 19511 181 1 . 1 1 40 40 ILE H H 40 8.290 8.290 7.815 0.475 19511 182 1 . 1 1 41 41 ALA N N 41 121.610 121.610 120.312 1.298 19511 183 1 . 1 1 41 41 ALA HA H 41 3.757 3.757 3.998 -0.241 19511 184 1 . 1 1 41 41 ALA CA C 41 53.812 53.812 54.485 -0.673 19511 185 1 . 1 1 41 41 ALA CB C 41 15.288 15.288 18.331 -3.043 19511 186 1 . 1 1 41 41 ALA H H 41 8.201 8.201 7.864 0.337 19511 187 1 . 1 1 42 42 HIS N N 42 114.498 114.498 114.051 0.447 19511 188 1 . 1 1 42 42 HIS HA H 42 3.751 3.751 4.606 -0.855 19511 189 1 . 1 1 42 42 HIS CA C 42 53.713 53.713 55.771 -2.058 19511 190 1 . 1 1 42 42 HIS CB C 42 25.282 25.282 30.817 -5.535 19511 191 1 . 1 1 42 42 HIS H H 42 8.136 8.136 7.835 0.301 19511 192 1 . 1 1 43 43 ALA N N 43 121.763 121.763 121.985 -0.222 19511 193 1 . 1 1 43 43 ALA HA H 43 4.118 4.118 4.322 -0.204 19511 194 1 . 1 1 43 43 ALA CA C 43 52.521 52.521 53.664 -1.143 19511 195 1 . 1 1 43 43 ALA CB C 43 16.046 16.046 20.119 -4.073 19511 196 1 . 1 1 43 43 ALA H H 43 8.181 8.181 7.917 0.264 19511 197 1 . 1 1 44 44 LEU N N 44 114.063 114.063 118.783 -4.720 19511 198 1 . 1 1 44 44 LEU HA H 44 4.416 4.416 4.272 0.144 19511 199 1 . 1 1 44 44 LEU CA C 44 51.814 51.814 55.810 -3.996 19511 200 1 . 1 1 44 44 LEU CB C 44 40.181 40.181 43.335 -3.154 19511 201 1 . 1 1 44 44 LEU H H 44 8.016 8.016 7.696 0.320 19511 202 1 . 1 1 45 45 LYS N N 45 116.933 116.933 115.789 1.144 19511 203 1 . 1 1 45 45 LYS HA H 45 4.026 4.026 4.393 -0.367 19511 204 1 . 1 1 45 45 LYS CA C 45 54.887 54.887 56.259 -1.372 19511 205 1 . 1 1 45 45 LYS CB C 45 26.031 26.031 32.525 -6.494 19511 206 1 . 1 1 45 45 LYS H H 45 7.867 7.867 8.186 -0.319 19511 207 1 . 1 1 46 46 LEU N N 46 119.776 119.776 120.500 -0.724 19511 208 1 . 1 1 46 46 LEU HA H 46 4.937 4.937 4.545 0.392 19511 209 1 . 1 1 46 46 LEU CA C 46 49.983 49.983 54.355 -4.372 19511 210 1 . 1 1 46 46 LEU CB C 46 45.389 45.389 43.200 2.189 19511 211 1 . 1 1 46 46 LEU H H 46 8.517 8.517 7.797 0.720 19511 212 1 . 1 1 47 47 SER N N 47 114.945 114.945 114.712 0.233 19511 213 1 . 1 1 47 47 SER HA H 47 4.856 4.856 4.696 0.160 19511 214 1 . 1 1 47 47 SER CA C 47 54.112 54.112 56.993 -2.881 19511 215 1 . 1 1 47 47 SER CB C 47 62.635 62.635 64.530 -1.896 19511 216 1 . 1 1 47 47 SER H H 47 9.225 9.225 8.411 0.814 19511 217 1 . 1 1 48 48 GLU N N 48 122.216 122.216 126.760 -4.544 19511 218 1 . 1 1 48 48 GLU HA H 48 3.778 3.778 4.002 -0.224 19511 219 1 . 1 1 48 48 GLU CA C 48 58.893 58.893 59.964 -1.071 19511 220 1 . 1 1 48 48 GLU CB C 48 27.002 27.002 29.445 -2.443 19511 221 1 . 1 1 48 48 GLU H H 48 9.278 9.278 9.099 0.179 19511 222 1 . 1 1 49 49 VAL N N 49 118.235 118.235 119.277 -1.042 19511 223 1 . 1 1 49 49 VAL HA H 49 3.854 3.854 3.802 0.052 19511 224 1 . 1 1 49 49 VAL CA C 49 63.808 63.808 65.803 -1.995 19511 225 1 . 1 1 49 49 VAL CB C 49 29.556 29.556 31.375 -1.819 19511 226 1 . 1 1 49 49 VAL H H 49 7.993 7.993 8.043 -0.050 19511 227 1 . 1 1 50 50 GLN N N 50 119.879 119.879 118.384 1.495 19511 228 1 . 1 1 50 50 GLN HA H 50 4.296 4.296 4.152 0.144 19511 229 1 . 1 1 50 50 GLN CA C 50 57.495 57.495 58.270 -0.774 19511 230 1 . 1 1 50 50 GLN CB C 50 27.381 27.381 28.672 -1.291 19511 231 1 . 1 1 50 50 GLN H H 50 7.705 7.705 7.777 -0.072 19511 232 1 . 1 1 51 51 VAL N N 51 117.905 117.905 120.548 -2.643 19511 233 1 . 1 1 51 51 VAL HA H 51 3.818 3.818 3.686 0.132 19511 234 1 . 1 1 51 51 VAL CA C 51 64.839 64.839 66.372 -1.533 19511 235 1 . 1 1 51 51 VAL CB C 51 29.968 29.968 31.396 -1.428 19511 236 1 . 1 1 51 51 VAL H H 51 7.629 7.629 8.146 -0.517 19511 237 1 . 1 1 52 52 LYS N N 52 120.669 120.669 119.491 1.178 19511 238 1 . 1 1 52 52 LYS HA H 52 4.168 4.168 4.259 -0.091 19511 239 1 . 1 1 52 52 LYS CA C 52 57.489 57.489 59.489 -2.000 19511 240 1 . 1 1 52 52 LYS CB C 52 30.473 30.473 32.355 -1.882 19511 241 1 . 1 1 52 52 LYS H H 52 8.802 8.802 7.996 0.806 19511 242 1 . 1 1 53 53 ILE N N 53 120.041 120.041 117.215 2.826 19511 243 1 . 1 1 53 53 ILE HA H 53 3.710 3.710 4.032 -0.322 19511 244 1 . 1 1 53 53 ILE CA C 53 61.549 61.549 63.187 -1.638 19511 245 1 . 1 1 53 53 ILE CB C 53 35.022 35.022 38.462 -3.440 19511 246 1 . 1 1 53 53 ILE H H 53 8.711 8.711 7.573 1.138 19511 247 1 . 1 1 54 54 TRP N N 54 123.292 123.292 123.423 -0.131 19511 248 1 . 1 1 54 54 TRP HA H 54 4.731 4.731 4.214 0.517 19511 249 1 . 1 1 54 54 TRP CA C 54 60.105 60.105 61.762 -1.657 19511 250 1 . 1 1 54 54 TRP CB C 54 26.108 26.108 29.379 -3.271 19511 251 1 . 1 1 54 54 TRP H H 54 8.467 8.467 7.896 0.571 19511 252 1 . 1 1 55 55 PHE N N 55 118.279 118.279 115.803 2.476 19511 253 1 . 1 1 55 55 PHE HA H 55 3.801 3.801 4.191 -0.390 19511 254 1 . 1 1 55 55 PHE CA C 55 61.097 61.097 60.255 0.842 19511 255 1 . 1 1 55 55 PHE CB C 55 36.812 36.812 38.155 -1.343 19511 256 1 . 1 1 55 55 PHE H H 55 8.923 8.923 7.439 1.484 19511 257 1 . 1 1 56 56 GLN N N 56 117.830 117.830 118.963 -1.133 19511 258 1 . 1 1 56 56 GLN HA H 56 4.036 4.036 4.060 -0.024 19511 259 1 . 1 1 56 56 GLN CA C 56 57.329 57.329 58.600 -1.271 19511 260 1 . 1 1 56 56 GLN CB C 56 25.312 25.312 28.386 -3.074 19511 261 1 . 1 1 56 56 GLN H H 56 7.994 7.994 7.920 0.074 19511 262 1 . 1 1 57 57 ASN N N 57 119.840 119.840 117.140 2.700 19511 263 1 . 1 1 57 57 ASN HA H 57 4.632 4.632 4.521 0.111 19511 264 1 . 1 1 57 57 ASN CA C 57 55.637 55.637 55.121 0.516 19511 265 1 . 1 1 57 57 ASN CB C 57 35.824 35.824 38.669 -2.845 19511 266 1 . 1 1 57 57 ASN H H 57 8.715 8.715 7.860 0.855 19511 267 1 . 1 1 58 58 ARG N N 58 125.366 125.366 119.499 5.867 19511 268 1 . 1 1 58 58 ARG HA H 58 3.656 3.656 3.976 -0.320 19511 269 1 . 1 1 58 58 ARG CA C 58 53.865 53.865 56.861 -2.996 19511 270 1 . 1 1 58 58 ARG CB C 58 25.436 25.436 29.643 -4.207 19511 271 1 . 1 1 58 58 ARG H H 58 8.806 8.806 7.605 1.201 19511 272 1 . 1 1 59 59 ARG N N 59 120.172 120.172 117.830 2.342 19511 273 1 . 1 1 59 59 ARG CB C 59 29.582 29.582 30.408 -0.826 19511 274 1 . 1 1 59 59 ARG H H 59 8.345 8.345 7.739 0.606 19511 275 1 . 1 1 60 60 ALA N N 60 122.418 122.418 121.490 0.928 19511 276 1 . 1 1 60 60 ALA HA H 60 4.420 4.420 4.380 0.040 19511 277 1 . 1 1 60 60 ALA CA C 60 53.005 53.005 53.335 -0.330 19511 278 1 . 1 1 60 60 ALA CB C 60 15.567 15.567 18.759 -3.192 19511 279 1 . 1 1 60 60 ALA H H 60 7.587 7.587 7.773 -0.186 19511 280 1 . 1 1 61 61 LYS N N 61 119.912 119.912 119.985 -0.073 19511 281 1 . 1 1 61 61 LYS HA H 61 4.003 4.003 3.813 0.190 19511 282 1 . 1 1 61 61 LYS CA C 61 57.164 57.164 59.457 -2.293 19511 283 1 . 1 1 61 61 LYS CB C 61 30.390 30.390 31.738 -1.348 19511 284 1 . 1 1 61 61 LYS H H 61 7.856 7.856 7.885 -0.029 19511 285 1 . 1 1 62 62 TRP N N 62 119.782 119.782 116.904 2.878 19511 286 1 . 1 1 62 62 TRP HA H 62 4.535 4.535 4.533 0.002 19511 287 1 . 1 1 62 62 TRP CA C 62 57.359 57.359 59.118 -1.759 19511 288 1 . 1 1 62 62 TRP CB C 62 27.020 27.020 28.886 -1.866 19511 289 1 . 1 1 62 62 TRP H H 62 8.265 8.265 7.579 0.686 19511 290 1 . 1 1 63 63 LYS N N 63 117.139 117.139 120.055 -2.916 19511 291 1 . 1 1 63 63 LYS HA H 63 3.713 3.713 4.104 -0.391 19511 292 1 . 1 1 63 63 LYS CA C 63 56.518 56.518 59.068 -2.550 19511 293 1 . 1 1 63 63 LYS CB C 63 30.224 30.224 32.076 -1.852 19511 294 1 . 1 1 63 63 LYS H H 63 8.262 8.262 8.009 0.253 19511 295 1 . 1 1 64 64 ARG N N 64 118.868 118.868 118.054 0.814 19511 296 1 . 1 1 64 64 ARG HA H 64 4.192 4.192 4.112 0.079 19511 297 1 . 1 1 64 64 ARG CA C 64 56.249 56.249 58.468 -2.218 19511 298 1 . 1 1 64 64 ARG CB C 64 28.227 28.227 29.960 -1.733 19511 299 1 . 1 1 64 64 ARG H H 64 7.737 7.737 8.140 -0.403 19511 300 1 . 1 1 65 65 ILE N N 65 119.744 119.744 118.298 1.446 19511 301 1 . 1 1 65 65 ILE HA H 65 4.012 4.012 4.055 -0.043 19511 302 1 . 1 1 65 65 ILE CA C 65 60.187 60.187 63.138 -2.951 19511 303 1 . 1 1 65 65 ILE CB C 65 35.588 35.588 38.578 -2.990 19511 304 1 . 1 1 65 65 ILE H H 65 8.010 8.010 7.679 0.331 19511 305 1 . 1 1 66 66 LYS N N 66 122.316 122.316 120.726 1.590 19511 306 1 . 1 1 66 66 LYS HA H 66 4.106 4.106 4.338 -0.232 19511 307 1 . 1 1 66 66 LYS CA C 66 54.657 54.657 55.513 -0.856 19511 308 1 . 1 1 66 66 LYS CB C 66 29.634 29.634 31.824 -2.190 19511 309 1 . 1 1 66 66 LYS H H 66 8.055 8.055 8.029 0.026 19511 310 1 . 1 1 67 67 ALA N N 67 122.520 122.520 122.552 -0.032 19511 311 1 . 1 1 67 67 ALA HA H 67 4.291 4.291 4.496 -0.205 19511 312 1 . 1 1 67 67 ALA CA C 67 50.463 50.463 52.077 -1.614 19511 313 1 . 1 1 67 67 ALA CB C 67 16.535 16.535 19.558 -3.023 19511 314 1 . 1 1 67 67 ALA H H 67 7.846 7.846 7.718 0.128 19511 315 1 . 1 1 68 68 GLY N N 68 106.371 106.371 110.066 -3.695 19511 316 1 . 1 1 68 68 GLY CA C 68 42.991 42.991 44.993 -2.002 19511 317 1 . 1 1 68 68 GLY H H 68 8.053 8.053 8.510 -0.457 19511 318 1 . 1 1 69 69 ASN N N 69 118.766 118.766 119.628 -0.862 19511 319 1 . 1 1 69 69 ASN HA H 69 4.832 4.832 4.911 -0.079 19511 320 1 . 1 1 69 69 ASN CA C 69 50.749 50.749 52.762 -2.013 19511 321 1 . 1 1 69 69 ASN CB C 69 36.737 36.737 40.300 -3.563 19511 322 1 . 1 1 69 69 ASN H H 69 8.166 8.166 8.365 -0.199 19511 323 1 . 1 1 70 70 VAL N N 70 119.471 119.471 119.616 -0.145 19511 324 1 . 1 1 70 70 VAL HA H 70 4.265 4.265 4.406 -0.141 19511 325 1 . 1 1 70 70 VAL CA C 70 59.765 59.765 61.955 -2.190 19511 326 1 . 1 1 70 70 VAL CB C 70 30.482 30.482 33.144 -2.662 19511 327 1 . 1 1 70 70 VAL H H 70 8.087 8.087 8.396 -0.309 19511 stop_ save_